smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000436007287 861297340 /nfs/dbraw/zinc/29/73/40/861297340.db2.gz MSRIRGCMBSDJCD-UHFFFAOYSA-N -1 1 411.321 4.079 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(O)c1 ZINC000003550602 845038540 /nfs/dbraw/zinc/03/85/40/845038540.db2.gz SJVUIKHXNMLQCW-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM C[C@H](Oc1ccccc1)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005172192 845086078 /nfs/dbraw/zinc/08/60/78/845086078.db2.gz GPGLMOXZWPVIMU-AWEZNQCLSA-N -1 1 406.463 4.162 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccs3)cc2)c1C ZINC000006177489 845180641 /nfs/dbraw/zinc/18/06/41/845180641.db2.gz HVGHVYFXQHTSGK-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM CCc1cc2c(COC(=O)C(C)(C)Oc3ccc(F)cc3)cc(=O)oc2cc1[O-] ZINC000007295403 845304302 /nfs/dbraw/zinc/30/43/02/845304302.db2.gz UWDGOZPOCIJIEH-UHFFFAOYSA-N -1 1 400.402 4.101 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000007379022 845320483 /nfs/dbraw/zinc/32/04/83/845320483.db2.gz JVGKENQKAZKAED-UHFFFAOYSA-N -1 1 410.923 4.233 20 0 HIADMM C=C(C)CNC(=S)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000007517351 845350963 /nfs/dbraw/zinc/35/09/63/845350963.db2.gz QGMOTXLEZDPMBE-UHFFFAOYSA-N -1 1 409.964 4.312 20 0 HIADMM O=c1cc(C2CC2)nc(SCc2nc(-c3ccc(Br)s3)no2)[n-]1 ZINC000436252864 861564966 /nfs/dbraw/zinc/56/49/66/861564966.db2.gz MYUWXTBDUSKSPW-UHFFFAOYSA-N -1 1 411.306 4.226 20 0 HIADMM Cc1ccsc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000007898179 845443305 /nfs/dbraw/zinc/44/33/05/845443305.db2.gz FFMWFKWLBVBDQL-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1F ZINC000008033565 845465664 /nfs/dbraw/zinc/46/56/64/845465664.db2.gz QVMAKQUEXRDXHP-FOIQADDNSA-N -1 1 404.507 4.243 20 0 HIADMM CCc1cc2c(COC(=O)CCC(=O)c3ccc(C)s3)cc(=O)oc2cc1[O-] ZINC000008409086 845523216 /nfs/dbraw/zinc/52/32/16/845523216.db2.gz XFMZZJAZUBGCMR-UHFFFAOYSA-N -1 1 400.452 4.137 20 0 HIADMM Cc1csc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000010555062 845674512 /nfs/dbraw/zinc/67/45/12/845674512.db2.gz ZSNAMEMMQLQVFX-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CC(C)c1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000010639330 845684496 /nfs/dbraw/zinc/68/44/96/845684496.db2.gz QTKZZCQNVYJLAC-UHFFFAOYSA-N -1 1 419.503 4.459 20 0 HIADMM Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2[nH]1 ZINC000010657140 845687982 /nfs/dbraw/zinc/68/79/82/845687982.db2.gz KLNMEXNXSIAQRL-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000011594318 845816063 /nfs/dbraw/zinc/81/60/63/845816063.db2.gz PCGSHWFNQUTPSY-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000011718661 845828910 /nfs/dbraw/zinc/82/89/10/845828910.db2.gz IAMXIJGGPYRSDM-UHFFFAOYSA-N -1 1 409.515 4.149 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CC=C(c3ccc(C)cc3)CC2)cc1 ZINC000012396124 845869085 /nfs/dbraw/zinc/86/90/85/845869085.db2.gz NJAAUCTWPBDQAN-UHFFFAOYSA-N -1 1 420.538 4.241 20 0 HIADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000014097549 845925082 /nfs/dbraw/zinc/92/50/82/845925082.db2.gz XEWAAHAKJHNZNM-UHFFFAOYSA-N -1 1 407.557 4.329 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000014349440 845939776 /nfs/dbraw/zinc/93/97/76/845939776.db2.gz CWQYEUOABBGPBN-UHFFFAOYSA-N -1 1 421.551 4.466 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000014413611 845948736 /nfs/dbraw/zinc/94/87/36/845948736.db2.gz JZGQDLVQJJEWHB-UHFFFAOYSA-N -1 1 420.538 4.038 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4c(c3)OCO4)c2)c1 ZINC000015267510 846027268 /nfs/dbraw/zinc/02/72/68/846027268.db2.gz JWQJPSZLFVFPJG-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000015340574 846036669 /nfs/dbraw/zinc/03/66/69/846036669.db2.gz NUVVOUSBBFPGRM-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000015421850 846047651 /nfs/dbraw/zinc/04/76/51/846047651.db2.gz KGCMSGJDAUEUBQ-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1Cl ZINC000015433692 846048068 /nfs/dbraw/zinc/04/80/68/846048068.db2.gz NXOOWSLCMSZVKY-UHFFFAOYSA-N -1 1 410.923 4.069 20 0 HIADMM CCc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC000015593068 846069285 /nfs/dbraw/zinc/06/92/85/846069285.db2.gz LCLIDUGDCSOPNW-UHFFFAOYSA-N -1 1 410.495 4.311 20 0 HIADMM Cc1cccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000015744236 846088668 /nfs/dbraw/zinc/08/86/68/846088668.db2.gz WPCXYKQJRPJEMH-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(NCCc1cccs1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015788459 846090862 /nfs/dbraw/zinc/09/08/62/846090862.db2.gz OCAFPVDLPMJUAI-UHFFFAOYSA-N -1 1 420.943 4.175 20 0 HIADMM O=C(Nc1ccc(OC(F)F)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000015797437 846091733 /nfs/dbraw/zinc/09/17/33/846091733.db2.gz PNTCEZVUDLKLDH-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H]1C ZINC000015791974 846091925 /nfs/dbraw/zinc/09/19/25/846091925.db2.gz DCBQLQIASPNENX-STXHMFSFSA-N -1 1 404.507 4.181 20 0 HIADMM COc1cccc(-n2c(SCC(=O)c3ccc([O-])cc3)nc3ccccc3c2=O)c1 ZINC000015819484 846095215 /nfs/dbraw/zinc/09/52/15/846095215.db2.gz GQDAEOPSXAIIQR-UHFFFAOYSA-N -1 1 418.474 4.075 20 0 HIADMM C/C=C/C=C/C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000015891955 846102069 /nfs/dbraw/zinc/10/20/69/846102069.db2.gz PMINICRLNNYHPZ-CRBCFSCISA-N -1 1 421.316 4.321 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1 ZINC000015896883 846102123 /nfs/dbraw/zinc/10/21/23/846102123.db2.gz YHAZWVBYQQMRSX-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c(O)c1 ZINC000015923006 846104168 /nfs/dbraw/zinc/10/41/68/846104168.db2.gz KKDUPUUKOSLOCS-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM O=C([N-]NC(=O)c1sc2ccccc2c1Cl)c1ccc(Br)s1 ZINC000016062181 846117980 /nfs/dbraw/zinc/11/79/80/846117980.db2.gz KZPHAZJNXIDNMI-UHFFFAOYSA-N -1 1 415.721 4.454 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000016597425 846188051 /nfs/dbraw/zinc/18/80/51/846188051.db2.gz HPFGBKVFTCUROJ-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000016597963 846188225 /nfs/dbraw/zinc/18/82/25/846188225.db2.gz CVBHAFPCPWBXRZ-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(F)cc3)c2)c1 ZINC000016640621 846192711 /nfs/dbraw/zinc/19/27/11/846192711.db2.gz KEHURRDBFYXQLB-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000016640615 846193119 /nfs/dbraw/zinc/19/31/19/846193119.db2.gz DOHVJIUEDDAENL-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1C ZINC000016640691 846193444 /nfs/dbraw/zinc/19/34/44/846193444.db2.gz MFNOBLBMEBBRQE-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000017296094 846242023 /nfs/dbraw/zinc/24/20/23/846242023.db2.gz AETIAGVSKNKGKL-UHFFFAOYSA-N -1 1 405.527 4.146 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc4C3)c2)c1 ZINC000017321975 846246323 /nfs/dbraw/zinc/24/63/23/846246323.db2.gz HGLPDDBYBFEYAI-UHFFFAOYSA-N -1 1 420.534 4.303 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)ccc1F ZINC000017323766 846247099 /nfs/dbraw/zinc/24/70/99/846247099.db2.gz ZNXJZJDCBACCHB-INIZCTEOSA-N -1 1 412.486 4.426 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3CCCCC3)c2)cc1 ZINC000017356933 846248936 /nfs/dbraw/zinc/24/89/36/846248936.db2.gz ACKMASARQJGYEY-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)o1 ZINC000017957489 846278893 /nfs/dbraw/zinc/27/88/93/846278893.db2.gz BUYZECTXEXABFR-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM C[C@@H](NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)c1ccc(Br)cc1 ZINC000017961516 846281047 /nfs/dbraw/zinc/28/10/47/846281047.db2.gz NCJHTFWWDIQTFB-SNVBAGLBSA-N -1 1 423.361 4.309 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3ccccc3)c2)cc1 ZINC000018124845 846299725 /nfs/dbraw/zinc/29/97/25/846299725.db2.gz DQADVDJCWFSNEP-QGZVFWFLSA-N -1 1 424.522 4.329 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2)cc1 ZINC000018124861 846299853 /nfs/dbraw/zinc/29/98/53/846299853.db2.gz AAHSUUJXLADNLK-QGZVFWFLSA-N -1 1 424.522 4.329 20 0 HIADMM CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000018150851 846303578 /nfs/dbraw/zinc/30/35/78/846303578.db2.gz MRCHEOQBFBUEEL-UHFFFAOYSA-N -1 1 412.486 4.289 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2C)cc1 ZINC000021004033 846400185 /nfs/dbraw/zinc/40/01/85/846400185.db2.gz XTAZSEHTSYBEQJ-UHFFFAOYSA-N -1 1 400.544 4.374 20 0 HIADMM CCn1c2ccccc2nc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021592709 846467082 /nfs/dbraw/zinc/46/70/82/846467082.db2.gz CPAVOTXZCPWOMG-UHFFFAOYSA-N -1 1 420.494 4.109 20 0 HIADMM O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000022024252 846522250 /nfs/dbraw/zinc/52/22/50/846522250.db2.gz VRIZROJKWILPAV-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1(c2ccccc2)CC1 ZINC000022027421 846522778 /nfs/dbraw/zinc/52/27/78/846522778.db2.gz FFNOGKGEDGBDKN-UHFFFAOYSA-N -1 1 402.475 4.427 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc(F)cc1F ZINC000022407037 846567331 /nfs/dbraw/zinc/56/73/31/846567331.db2.gz JNYZBMLGIWCQKQ-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(F)c(F)c1 ZINC000022648452 846597546 /nfs/dbraw/zinc/59/75/46/846597546.db2.gz IYKQSUZUUZOHCM-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM CCc1nc(COC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cs1 ZINC000023195746 846668376 /nfs/dbraw/zinc/66/83/76/846668376.db2.gz MQVKZGZQFQZBBL-UHFFFAOYSA-N -1 1 416.524 4.172 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](C)C#N)cc1 ZINC000023416988 846698799 /nfs/dbraw/zinc/69/87/99/846698799.db2.gz FQYDWCJAQAKVJA-HNNXBMFYSA-N -1 1 400.500 4.162 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)CC[C@H]3C)c2)cc1 ZINC000436371919 861711041 /nfs/dbraw/zinc/71/10/41/861711041.db2.gz UISYHCDHCAXNLF-IAGOWNOFSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(-c2nnc3n2CCCCC3)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000024433766 846822898 /nfs/dbraw/zinc/82/28/98/846822898.db2.gz QQNDHFCBDVTLNR-UHFFFAOYSA-N -1 1 416.934 4.434 20 0 HIADMM COc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000025311064 846957812 /nfs/dbraw/zinc/95/78/12/846957812.db2.gz CEGOOJHBCCJUBD-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CC1CCC(N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000025624690 847009425 /nfs/dbraw/zinc/00/94/25/847009425.db2.gz QLGDGQKFSQFFLC-UHFFFAOYSA-N -1 1 422.497 4.416 20 0 HIADMM Cc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 ZINC000026023061 847072735 /nfs/dbraw/zinc/07/27/35/847072735.db2.gz ZXEDJVIUVGLTEW-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)CCCc3cccs3)n2)n[n-]c1=S ZINC000026042822 847076114 /nfs/dbraw/zinc/07/61/14/847076114.db2.gz UWUXYXXJZHICIV-UHFFFAOYSA-N -1 1 405.574 4.197 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3oc4ccccc4c3C)n2)n[n-]c1=S ZINC000026042667 847076246 /nfs/dbraw/zinc/07/62/46/847076246.db2.gz OGNDEBSFNCYEFZ-UHFFFAOYSA-N -1 1 411.512 4.481 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)CCn3ccc4ccccc43)n2)n[n-]c1=S ZINC000026094245 847082606 /nfs/dbraw/zinc/08/26/06/847082606.db2.gz NLZPPQBTAVNRSS-UHFFFAOYSA-N -1 1 424.555 4.157 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000026253354 847113605 /nfs/dbraw/zinc/11/36/05/847113605.db2.gz HVDSQHHKRZGJMS-UHFFFAOYSA-N -1 1 417.269 4.282 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2N1 ZINC000026318559 847123888 /nfs/dbraw/zinc/12/38/88/847123888.db2.gz SUFHNMXYIKCHNX-UHFFFAOYSA-N -1 1 424.322 4.020 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(-c4cnc(C5CC5)o4)cc3)ccc2o1 ZINC000026548058 847167941 /nfs/dbraw/zinc/16/79/41/847167941.db2.gz LNUABPWWPOXWGD-UHFFFAOYSA-N -1 1 408.435 4.126 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nnc(C(C)C)s3)c2)c1 ZINC000026572808 847172282 /nfs/dbraw/zinc/17/22/82/847172282.db2.gz DVXCEWUYXSEGFZ-UHFFFAOYSA-N -1 1 416.528 4.023 20 0 HIADMM CCCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000026939652 847224109 /nfs/dbraw/zinc/22/41/09/847224109.db2.gz WKFFYZLPTJHCPT-UHFFFAOYSA-N -1 1 415.342 4.253 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccn3)c2)cc1C ZINC000027653875 847332463 /nfs/dbraw/zinc/33/24/63/847332463.db2.gz HIICHAGSRXOAKL-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM C[C@H]1C[C@H](C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)C1 ZINC000028199781 847396246 /nfs/dbraw/zinc/39/62/46/847396246.db2.gz HBGBPQFAANKFOW-KBPBESRZSA-N -1 1 424.925 4.398 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)c1 ZINC000028491916 847426419 /nfs/dbraw/zinc/42/64/19/847426419.db2.gz AJVSJCCHSZUESE-IRXDYDNUSA-N -1 1 400.544 4.222 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000029048238 847497656 /nfs/dbraw/zinc/49/76/56/847497656.db2.gz GRVDHJLFDHWAOV-HXUWFJFHSA-N -1 1 405.516 4.080 20 0 HIADMM Cc1nc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)sc1C ZINC000029579706 847583299 /nfs/dbraw/zinc/58/32/99/847583299.db2.gz AGQNECHAEWBIAW-UHFFFAOYSA-N -1 1 419.503 4.261 20 0 HIADMM Cc1nc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)sc1C ZINC000029582073 847583458 /nfs/dbraw/zinc/58/34/58/847583458.db2.gz AETMITBEKGMAMY-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 ZINC000029799400 847622500 /nfs/dbraw/zinc/62/25/00/847622500.db2.gz LMDCNAJUIDJQML-UHFFFAOYSA-N -1 1 420.498 4.035 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cccs3)cc2)cc1C ZINC000029854213 847634774 /nfs/dbraw/zinc/63/47/74/847634774.db2.gz ALKXJYHTCPYFSW-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC(C)(C)c2ccccc2)cc1 ZINC000029913796 847649211 /nfs/dbraw/zinc/64/92/11/847649211.db2.gz FGYPMGUZXSOWCI-UHFFFAOYSA-N -1 1 424.570 4.490 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCC[C@H](C)C3)c2)c1 ZINC000029997862 847667853 /nfs/dbraw/zinc/66/78/53/847667853.db2.gz RWDYRHHAJBJFSZ-PXNSSMCTSA-N -1 1 400.544 4.447 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCCC3=CCCCC3)c([O-])c2)c1 ZINC000030016944 847671546 /nfs/dbraw/zinc/67/15/46/847671546.db2.gz HGEUAVOKBDOQLZ-UHFFFAOYSA-N -1 1 424.497 4.282 20 0 HIADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000030381999 847709629 /nfs/dbraw/zinc/70/96/29/847709629.db2.gz XNKYBIHHDYMLSI-VLIAUNLRSA-N -1 1 422.497 4.416 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3N(C)C)cc2)c1C ZINC000030668922 847755442 /nfs/dbraw/zinc/75/54/42/847755442.db2.gz VAZQLRJQAGUFIC-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c1 ZINC000436501944 861826731 /nfs/dbraw/zinc/82/67/31/861826731.db2.gz BTASQCCONSLWNN-UHFFFAOYSA-N -1 1 404.781 4.187 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2c(C)onc2-c2c(Cl)cccc2OC)c1 ZINC000436502289 861827710 /nfs/dbraw/zinc/82/77/10/861827710.db2.gz CTWVRLHEDQTJTO-UHFFFAOYSA-N -1 1 416.817 4.057 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c1 ZINC000436506770 861829441 /nfs/dbraw/zinc/82/94/41/861829441.db2.gz UNZSSZQMBMWPJP-UHFFFAOYSA-N -1 1 406.316 4.105 20 0 HIADMM CO[C@H](C)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436518516 861832266 /nfs/dbraw/zinc/83/22/66/861832266.db2.gz YXNKKHBNBGEXJD-ZHRRBRCNSA-N -1 1 418.493 4.496 20 0 HIADMM CCCS(=O)(=O)Nc1cc(NC(=O)c2ccc3ccccc3c2[O-])c(F)cc1F ZINC000436535118 861839266 /nfs/dbraw/zinc/83/92/66/861839266.db2.gz MYZOADAANUJTSH-UHFFFAOYSA-N -1 1 420.437 4.228 20 0 HIADMM COc1ccc([C@@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C2CC2)cc1 ZINC000031258666 847852271 /nfs/dbraw/zinc/85/22/71/847852271.db2.gz HQOXAOOUFBPWQO-FQEVSTJZSA-N -1 1 408.527 4.192 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000031265751 847853881 /nfs/dbraw/zinc/85/38/81/847853881.db2.gz JECDRJCGEVJIAC-LJQANCHMSA-N -1 1 424.526 4.113 20 0 HIADMM O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc2ccccc2cc1[O-] ZINC000436532373 861838491 /nfs/dbraw/zinc/83/84/91/861838491.db2.gz XTUZNLMGNVHLTN-UHFFFAOYSA-N -1 1 415.415 4.358 20 0 HIADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000436536474 861840380 /nfs/dbraw/zinc/84/03/80/861840380.db2.gz VPVWIVWSZLYNSB-CQSZACIVSA-N -1 1 404.894 4.324 20 0 HIADMM O=C([N-]NC(=S)Nc1cccc(Cl)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000031492660 847895026 /nfs/dbraw/zinc/89/50/26/847895026.db2.gz PTCZDPHCYLRBDQ-UHFFFAOYSA-N -1 1 406.298 4.015 20 0 HIADMM CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])c2ccccc2O1 ZINC000436544858 861844817 /nfs/dbraw/zinc/84/48/17/861844817.db2.gz QKEIETYNVSKJKA-QHCPKHFHSA-N -1 1 418.493 4.258 20 0 HIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000436544228 861844863 /nfs/dbraw/zinc/84/48/63/861844863.db2.gz OEGFZAUZAZYHFB-ZDUSSCGKSA-N -1 1 401.825 4.255 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)C(C)C)c2)cc1 ZINC000031716413 847936692 /nfs/dbraw/zinc/93/66/92/847936692.db2.gz XNFGKMXPDPVUCP-INIZCTEOSA-N -1 1 404.532 4.003 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCCCC[C@@H]3C)c([O-])c2)c1 ZINC000436549431 861846475 /nfs/dbraw/zinc/84/64/75/861846475.db2.gz QFOMJIUAIAMOHY-HNNXBMFYSA-N -1 1 412.486 4.066 20 0 HIADMM O=C(NC1CC1)c1cc(SCc2cc(=O)oc3cc([O-])ccc23)nc2ccccc21 ZINC000031782379 847947805 /nfs/dbraw/zinc/94/78/05/847947805.db2.gz YYYZZGRNZXYQCC-UHFFFAOYSA-N -1 1 418.474 4.231 20 0 HIADMM CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cs1 ZINC000436552046 861848064 /nfs/dbraw/zinc/84/80/64/861848064.db2.gz TXXDREKJYXMXJG-UHFFFAOYSA-N -1 1 409.555 4.257 20 0 HIADMM CN(CC1CCC1)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436553381 861848366 /nfs/dbraw/zinc/84/83/66/861848366.db2.gz BRSMNNVBEYTYEX-UHFFFAOYSA-N -1 1 417.303 4.279 20 0 HIADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000031816684 847954810 /nfs/dbraw/zinc/95/48/10/847954810.db2.gz HXWFPNSINWCZGQ-UHFFFAOYSA-N -1 1 410.783 4.476 20 0 HIADMM Cc1ccc(NC(=O)CCOCC(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000031816081 847955059 /nfs/dbraw/zinc/95/50/59/847955059.db2.gz QFZGKZWXSMTCTR-UHFFFAOYSA-N -1 1 424.950 4.450 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3cccnc3)cc2)cc1 ZINC000031939528 847968040 /nfs/dbraw/zinc/96/80/40/847968040.db2.gz ZTNRUDQWRNLFLJ-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436569088 861855279 /nfs/dbraw/zinc/85/52/79/861855279.db2.gz ZROXXYWMKHGKKX-ZDUSSCGKSA-N -1 1 423.738 4.327 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2ccc3nccnc3c2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436566952 861855306 /nfs/dbraw/zinc/85/53/06/861855306.db2.gz WGIKUQLICRFQDD-UHFFFAOYSA-N -1 1 420.375 4.118 20 0 HIADMM CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1ccc2ccccc2c1[O-] ZINC000436560673 861851753 /nfs/dbraw/zinc/85/17/53/861851753.db2.gz GINDWHZMQORQCD-UHFFFAOYSA-N -1 1 401.365 4.148 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc4c3OCCO4)n2)cc(Br)c1[O-] ZINC000436561776 861852170 /nfs/dbraw/zinc/85/21/70/861852170.db2.gz CTLPIQZLALQNKR-UHFFFAOYSA-N -1 1 419.231 4.042 20 0 HIADMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000032095995 847987260 /nfs/dbraw/zinc/98/72/60/847987260.db2.gz XELOLJBQPXSXMY-UHFFFAOYSA-N -1 1 404.495 4.433 20 0 HIADMM CN(C)C(=O)C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])c2ccc(Cl)cc21 ZINC000436563828 861853097 /nfs/dbraw/zinc/85/30/97/861853097.db2.gz MPYAJOIHXWAXOI-HNNXBMFYSA-N -1 1 408.885 4.421 20 0 HIADMM CN(C)C(=O)C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])c2ccc(Cl)cc21 ZINC000436563830 861853481 /nfs/dbraw/zinc/85/34/81/861853481.db2.gz MPYAJOIHXWAXOI-OAHLLOKOSA-N -1 1 408.885 4.421 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2ccc(COc3ccccc3)cc2)c(=O)[n-]1 ZINC000032304315 848000324 /nfs/dbraw/zinc/00/03/24/848000324.db2.gz BBIKXDUDJXMCIJ-UHFFFAOYSA-N -1 1 423.538 4.041 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)[C@@H]1CCCc2ccccc21 ZINC000032354413 848010737 /nfs/dbraw/zinc/01/07/37/848010737.db2.gz TYPSXBYYQYOGIQ-JOCHJYFZSA-N -1 1 421.522 4.032 20 0 HIADMM CC(C)(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000032381321 848016346 /nfs/dbraw/zinc/01/63/46/848016346.db2.gz RZPJDHWKADJSFH-INIZCTEOSA-N -1 1 406.548 4.264 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000436570298 861856106 /nfs/dbraw/zinc/85/61/06/861856106.db2.gz OOGABHHSTDHMOB-HXUWFJFHSA-N -1 1 406.507 4.316 20 0 HIADMM C[C@@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000032394417 848018269 /nfs/dbraw/zinc/01/82/69/848018269.db2.gz GCQCSUPDDXBQAE-NEPJUHHUSA-N -1 1 413.326 4.180 20 0 HIADMM O=S(=O)([N-]Cc1ccc(COCc2ccccc2)cc1)c1cc(F)ccc1F ZINC000032441770 848026283 /nfs/dbraw/zinc/02/62/83/848026283.db2.gz MZMNLQJVYQUPFT-UHFFFAOYSA-N -1 1 403.450 4.160 20 0 HIADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436576304 861857943 /nfs/dbraw/zinc/85/79/43/861857943.db2.gz QFTFSXCPQRADLA-AWEZNQCLSA-N -1 1 402.441 4.431 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)cc(OC)c1 ZINC000032586192 848049762 /nfs/dbraw/zinc/04/97/62/848049762.db2.gz WEUQLMJZRADDLM-UHFFFAOYSA-N -1 1 401.484 4.445 20 0 HIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C(C)=O ZINC000032599196 848052565 /nfs/dbraw/zinc/05/25/65/848052565.db2.gz HNPJMVMIGSWCJO-UHFFFAOYSA-N -1 1 401.315 4.163 20 0 HIADMM O=C(Nc1ccc2ccccc2n1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436599573 861864266 /nfs/dbraw/zinc/86/42/66/861864266.db2.gz DPPUHYCDFRJJRW-NRFANRHFSA-N -1 1 411.461 4.337 20 0 HIADMM CC(C)(C)n1cc(C(=O)C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cn1 ZINC000436601593 861864836 /nfs/dbraw/zinc/86/48/36/861864836.db2.gz IWCIAUUVOXWARI-UHFFFAOYSA-N -1 1 420.494 4.442 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCC[C@H](C)C3)c2)cc1 ZINC000033097848 848108461 /nfs/dbraw/zinc/10/84/61/848108461.db2.gz UHIHOCLFSVVWGJ-QFBILLFUSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCC[C@@H](C)C3)c2)cc1 ZINC000033097996 848108909 /nfs/dbraw/zinc/10/89/09/848108909.db2.gz UCOOTQVAQXPIPK-XLIONFOSSA-N -1 1 400.544 4.447 20 0 HIADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(F)c(F)c1 ZINC000436607560 861867871 /nfs/dbraw/zinc/86/78/71/861867871.db2.gz GDVXZBFVJJWKRY-QKKBWIMNSA-N -1 1 424.447 4.306 20 0 HIADMM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436607978 861867911 /nfs/dbraw/zinc/86/79/11/861867911.db2.gz SSJWUPNMXSMIMX-VGSWGCGISA-N -1 1 402.494 4.070 20 0 HIADMM COc1ccccc1[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccn1 ZINC000436609829 861868502 /nfs/dbraw/zinc/86/85/02/861868502.db2.gz WMSSZQPDYXJHAT-LJQANCHMSA-N -1 1 413.271 4.078 20 0 HIADMM O=C(N[C@H]1CCc2cc(F)ccc21)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436613103 861870062 /nfs/dbraw/zinc/87/00/62/861870062.db2.gz SOZMVORFPQJBAI-FCHUYYIVSA-N -1 1 418.468 4.093 20 0 HIADMM Cc1nc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(Cl)cc1Cl ZINC000040692655 848199043 /nfs/dbraw/zinc/19/90/43/848199043.db2.gz UMLOJYRLAHSIGF-UHFFFAOYSA-N -1 1 414.083 4.399 20 0 HIADMM CCC1(C)CN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C1 ZINC000436653085 861882857 /nfs/dbraw/zinc/88/28/57/861882857.db2.gz CSNALTGZBQSKER-UHFFFAOYSA-N -1 1 417.303 4.279 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)o1 ZINC000041815039 848253354 /nfs/dbraw/zinc/25/33/54/848253354.db2.gz ZRCHQAWGKDIYMA-SFHVURJKSA-N -1 1 416.543 4.039 20 0 HIADMM C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3cc4ccccc4cc3[O-])c2)C1=O ZINC000436660379 861885665 /nfs/dbraw/zinc/88/56/65/861885665.db2.gz CGMOHWVVNVIWCW-XMMPIXPASA-N -1 1 415.449 4.023 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCc3cc(F)ccc32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436687582 861894073 /nfs/dbraw/zinc/89/40/73/861894073.db2.gz ROSWPXKJJSAIME-UHFFFAOYSA-N -1 1 412.367 4.265 20 0 HIADMM Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)s2)o1 ZINC000042361434 848321740 /nfs/dbraw/zinc/32/17/40/848321740.db2.gz YQOZEAJRFNYMPV-UHFFFAOYSA-N -1 1 410.495 4.461 20 0 HIADMM O=C(NCc1ccc(C2CC2)cc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436676412 861891548 /nfs/dbraw/zinc/89/15/48/861891548.db2.gz ZYBXKNJDGREMRQ-QHCPKHFHSA-N -1 1 414.505 4.344 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1Cl ZINC000042790233 848354656 /nfs/dbraw/zinc/35/46/56/848354656.db2.gz ATABCCSXUWKXTK-UHFFFAOYSA-N -1 1 413.326 4.049 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccsc3)cc2)c1C ZINC000042971467 848369899 /nfs/dbraw/zinc/36/98/99/848369899.db2.gz JAVOYLXQZRYFNK-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccsc3)c2)c1 ZINC000042971505 848370103 /nfs/dbraw/zinc/37/01/03/848370103.db2.gz LUMVAFOQVPXKNR-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM C[C@@H]1CC[C@]2(CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])C2)C1 ZINC000436716505 861902135 /nfs/dbraw/zinc/90/21/35/861902135.db2.gz QAXGZWIAJCPDAA-ZIYZLLSTSA-N -1 1 406.526 4.189 20 0 HIADMM CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436705770 861898101 /nfs/dbraw/zinc/89/81/01/861898101.db2.gz ADZBGUHKOOYKLD-UHFFFAOYSA-N -1 1 412.511 4.016 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c(C)c1 ZINC000043748219 848459360 /nfs/dbraw/zinc/45/93/60/848459360.db2.gz MPYSEMVHMDHFIW-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM O=C(NCCSCc1ccccc1F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043827093 848473019 /nfs/dbraw/zinc/47/30/19/848473019.db2.gz AUDJQGKWBBXNST-UHFFFAOYSA-N -1 1 416.518 4.069 20 0 HIADMM Cc1ccc(NC(=S)NCc2cccs2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000044081256 848511438 /nfs/dbraw/zinc/51/14/38/848511438.db2.gz ZELWBJLAYPSIFQ-UHFFFAOYSA-N -1 1 417.581 4.344 20 0 HIADMM CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000044543144 848568557 /nfs/dbraw/zinc/56/85/57/848568557.db2.gz OJULAWMDIWNFFM-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(I)ccc1[O-] ZINC000436735358 861920159 /nfs/dbraw/zinc/92/01/59/861920159.db2.gz FBHXKJMSSHJHOJ-GXTWGEPZSA-N -1 1 407.251 4.015 20 0 HIADMM CCOCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000044870793 848610718 /nfs/dbraw/zinc/61/07/18/848610718.db2.gz XWROVYOVJOPJOS-UHFFFAOYSA-N -1 1 410.923 4.204 20 0 HIADMM CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436739838 861923125 /nfs/dbraw/zinc/92/31/25/861923125.db2.gz XMEDYFVCQOCSFD-QFIPXVFZSA-N -1 1 402.494 4.199 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000045407390 848676915 /nfs/dbraw/zinc/67/69/15/848676915.db2.gz FCFSETXYGOEYDZ-FQEVSTJZSA-N -1 1 411.502 4.190 20 0 HIADMM COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000436754136 861937410 /nfs/dbraw/zinc/93/74/10/861937410.db2.gz HJBILHYKIYVYAJ-OAQYLSRUSA-N -1 1 413.470 4.398 20 0 HIADMM COc1cccc([C@H]2CCCN2C(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000045871720 848744536 /nfs/dbraw/zinc/74/45/36/848744536.db2.gz PPWCRYDULJIVCP-OAHLLOKOSA-N -1 1 400.529 4.041 20 0 HIADMM COc1cc(NC(=O)c2cc3ccccc3cc2[O-])c(C(=O)N2CCCC2)cc1OC ZINC000436752698 861938090 /nfs/dbraw/zinc/93/80/90/861938090.db2.gz AJUARYCHLNXXCL-UHFFFAOYSA-N -1 1 420.465 4.051 20 0 HIADMM O=C(COc1ccc(Cl)c(Cl)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045890370 848747562 /nfs/dbraw/zinc/74/75/62/848747562.db2.gz DKFXANNUQQHUIJ-UHFFFAOYSA-N -1 1 408.281 4.199 20 0 HIADMM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000045946954 848757140 /nfs/dbraw/zinc/75/71/40/848757140.db2.gz IAMISMQWSTVHKR-UHFFFAOYSA-N -1 1 420.178 4.357 20 0 HIADMM C[C@@H](C1CC1)N(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CC1 ZINC000436758608 861946980 /nfs/dbraw/zinc/94/69/80/861946980.db2.gz ZUTNXNPBTLNUTI-LBPRGKRZSA-N -1 1 400.425 4.326 20 0 HIADMM C[C@H](C1CC1)N(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CC1 ZINC000436758607 861949021 /nfs/dbraw/zinc/94/90/21/861949021.db2.gz ZUTNXNPBTLNUTI-GFCCVEGCSA-N -1 1 400.425 4.326 20 0 HIADMM CCCN(CC(C)C)C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436759570 861948453 /nfs/dbraw/zinc/94/84/53/861948453.db2.gz BYGFDAGJFIUTPI-UHFFFAOYSA-N -1 1 414.502 4.170 20 0 HIADMM COc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000046469916 848855801 /nfs/dbraw/zinc/85/58/01/848855801.db2.gz DLBSYZVAVZPUMP-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM COc1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1OC(F)F ZINC000436762771 861951056 /nfs/dbraw/zinc/95/10/56/861951056.db2.gz HCDXIGLCYKMPOP-UHFFFAOYSA-N -1 1 405.319 4.293 20 0 HIADMM O=C(CCC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588505 848881029 /nfs/dbraw/zinc/88/10/29/848881029.db2.gz HDXMTDGXIWLHND-UHFFFAOYSA-N -1 1 408.479 4.089 20 0 HIADMM CCCc1nc(C)c(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000046611917 848886107 /nfs/dbraw/zinc/88/61/07/848886107.db2.gz RTYRUHYMLIRTDT-UHFFFAOYSA-N -1 1 415.540 4.457 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccccc3OC)n2)cc(Br)c1[O-] ZINC000436764985 861954290 /nfs/dbraw/zinc/95/42/90/861954290.db2.gz AEFOGLJMGKQLEC-UHFFFAOYSA-N -1 1 405.248 4.203 20 0 HIADMM N#C[C@@H](C(=O)Cc1c(F)cccc1Cl)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707038 848915232 /nfs/dbraw/zinc/91/52/32/848915232.db2.gz FBEAYWUZVDHXJR-LBPRGKRZSA-N -1 1 415.877 4.075 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc(OC)c(F)c3)n2)cc(Br)c1[O-] ZINC000436767904 861959411 /nfs/dbraw/zinc/95/94/11/861959411.db2.gz HNPYTSZWDQTFOI-UHFFFAOYSA-N -1 1 423.238 4.342 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c[nH]nc4c3)c2)c1 ZINC000046863974 848949646 /nfs/dbraw/zinc/94/96/46/848949646.db2.gz IAGIEWSRZGBPCK-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CCOc1cc(-c2noc([C@H]3Cc4ccccc4O3)n2)cc(Br)c1[O-] ZINC000436772017 861963958 /nfs/dbraw/zinc/96/39/58/861963958.db2.gz ZCQZXIXGNJRTOD-OAHLLOKOSA-N -1 1 403.232 4.280 20 0 HIADMM Cc1cccc(O[C@H](C)C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000047119222 848987246 /nfs/dbraw/zinc/98/72/46/848987246.db2.gz AZIDTTSUDGDNSG-QGZVFWFLSA-N -1 1 410.495 4.202 20 0 HIADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000436777451 861969089 /nfs/dbraw/zinc/96/90/89/861969089.db2.gz NMEYEPFAUUATNY-VLIAUNLRSA-N -1 1 423.431 4.466 20 0 HIADMM O=C(Cc1ccsc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000047651011 849089456 /nfs/dbraw/zinc/08/94/56/849089456.db2.gz PPLRVNGFUDAVHU-UHFFFAOYSA-N -1 1 406.916 4.384 20 0 HIADMM Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccc(Br)cc4[O-])C3)nc2c1 ZINC000436789158 861982305 /nfs/dbraw/zinc/98/23/05/861982305.db2.gz CVBRSSCRPBJUOK-CYBMUJFWSA-N -1 1 414.303 4.359 20 0 HIADMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(Br)cc4[O-])C3)[nH]c2c1 ZINC000436789158 861982329 /nfs/dbraw/zinc/98/23/29/861982329.db2.gz CVBRSSCRPBJUOK-CYBMUJFWSA-N -1 1 414.303 4.359 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])[C@@H]1C1CC1 ZINC000436804854 861994116 /nfs/dbraw/zinc/99/41/16/861994116.db2.gz WDZRDOUVYOWWAY-LJQANCHMSA-N -1 1 400.425 4.183 20 0 HIADMM N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817380 849271707 /nfs/dbraw/zinc/27/17/07/849271707.db2.gz FZSROELLMWWIPR-HNNXBMFYSA-N -1 1 411.914 4.326 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436815444 861999282 /nfs/dbraw/zinc/99/92/82/861999282.db2.gz OMNXEOWKVIFWQA-INIZCTEOSA-N -1 1 408.470 4.136 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436817519 862001169 /nfs/dbraw/zinc/00/11/69/862001169.db2.gz RRALJJVLRATHQR-FQEVSTJZSA-N -1 1 412.436 4.327 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C3CCC3)C3CCC3)c([O-])c2)c1 ZINC000436817178 862001433 /nfs/dbraw/zinc/00/14/33/862001433.db2.gz WLBVDUJIQITGRD-UHFFFAOYSA-N -1 1 424.497 4.209 20 0 HIADMM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC000436825580 862008408 /nfs/dbraw/zinc/00/84/08/862008408.db2.gz DPPVKETVNODAQT-UHFFFAOYSA-N -1 1 418.209 4.368 20 0 HIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c1 ZINC000050534734 849393238 /nfs/dbraw/zinc/39/32/38/849393238.db2.gz FAOAQKNJSFDCGD-UHFFFAOYSA-N -1 1 413.568 4.206 20 0 HIADMM O=C(NCC[C@H]1CCOC1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436836306 862014277 /nfs/dbraw/zinc/01/42/77/862014277.db2.gz HHOQNUCEUKOFRO-LBPRGKRZSA-N -1 1 423.296 4.108 20 0 HIADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(Br)cc1[O-] ZINC000051467818 849473007 /nfs/dbraw/zinc/47/30/07/849473007.db2.gz FRSHSRLYBGQHNB-HNAYVOBHSA-N -1 1 404.304 4.395 20 0 HIADMM CCOC(=O)c1csc(C2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)n1 ZINC000436862742 862042858 /nfs/dbraw/zinc/04/28/58/862042858.db2.gz IADSJBXGEICRGC-UHFFFAOYSA-N -1 1 410.495 4.198 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc(CC)c(C)s2)cc1 ZINC000053570113 849732570 /nfs/dbraw/zinc/73/25/70/849732570.db2.gz KLUJEVCEXRNEOV-UHFFFAOYSA-N -1 1 417.560 4.363 20 0 HIADMM Cc1nc2c3cccnc3nn2c(C)c1CCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436872347 862050422 /nfs/dbraw/zinc/05/04/22/862050422.db2.gz WAVQGEUNTPHFBJ-UHFFFAOYSA-N -1 1 420.860 4.089 20 0 HIADMM CC[C@H](C)CN(CC)C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436874928 862052508 /nfs/dbraw/zinc/05/25/08/862052508.db2.gz WWNYLXLTRIOZAN-HNNXBMFYSA-N -1 1 414.502 4.170 20 0 HIADMM CSC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436876331 862054106 /nfs/dbraw/zinc/05/41/06/862054106.db2.gz YHIXASPXPRMOGY-JTQLQIEISA-N -1 1 413.326 4.433 20 0 HIADMM COc1cc(-c2noc(-c3noc4c3CCCCC4)n2)cc(Br)c1[O-] ZINC000436876882 862055010 /nfs/dbraw/zinc/05/50/10/862055010.db2.gz BWCJUVLKDZIYEL-UHFFFAOYSA-N -1 1 406.236 4.137 20 0 HIADMM [O-]c1ccc(-c2noc(-c3sc(N4CCOCC4)nc3-c3ccccc3)n2)c(F)c1 ZINC000436878136 862055186 /nfs/dbraw/zinc/05/51/86/862055186.db2.gz ILXLELWEEOPHMO-UHFFFAOYSA-N -1 1 424.457 4.208 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(OC(C)C)cn3)n2)cc(Br)c1[O-] ZINC000436878517 862056346 /nfs/dbraw/zinc/05/63/46/862056346.db2.gz UAMZFFHKQPQUPD-UHFFFAOYSA-N -1 1 420.263 4.453 20 0 HIADMM Cc1ccc(CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C2CC2)o1 ZINC000053989723 849788941 /nfs/dbraw/zinc/78/89/41/849788941.db2.gz CDQNSGKATPBLKI-UHFFFAOYSA-N -1 1 410.495 4.194 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)COc2cccc(C)c2)cc1 ZINC000054165370 849817925 /nfs/dbraw/zinc/81/79/25/849817925.db2.gz YFCADDYICAWOFZ-QGZVFWFLSA-N -1 1 410.543 4.198 20 0 HIADMM Cc1ccc([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000054261294 849834937 /nfs/dbraw/zinc/83/49/37/849834937.db2.gz BLCTVQHYUFVEMJ-OAHLLOKOSA-N -1 1 400.525 4.348 20 0 HIADMM Cc1ccc([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000054261295 849835283 /nfs/dbraw/zinc/83/52/83/849835283.db2.gz BLCTVQHYUFVEMJ-HNNXBMFYSA-N -1 1 400.525 4.348 20 0 HIADMM CC1(Cc2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3O)n2)CCCC1 ZINC000436883741 862062045 /nfs/dbraw/zinc/06/20/45/862062045.db2.gz BZGPXUQVURIBEW-UHFFFAOYSA-N -1 1 419.528 4.427 20 0 HIADMM Cc1cccc2c1CN(C(=O)[C@H]1CCCN1C(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000436883469 862062217 /nfs/dbraw/zinc/06/22/17/862062217.db2.gz GHIAWNDAOQJFMR-HSZRJFAPSA-N -1 1 414.505 4.043 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@H](C)CCc1ccccc1 ZINC000054420298 849864145 /nfs/dbraw/zinc/86/41/45/849864145.db2.gz GKFPQZBKUKVNGJ-OAHLLOKOSA-N -1 1 408.527 4.084 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)cc1 ZINC000055566126 850056812 /nfs/dbraw/zinc/05/68/12/850056812.db2.gz VEYJMVPJAVWVFP-UHFFFAOYSA-N -1 1 412.511 4.131 20 0 HIADMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1F ZINC000055592805 850068737 /nfs/dbraw/zinc/06/87/37/850068737.db2.gz DIFJAGMWTMXBIR-UHFFFAOYSA-N -1 1 410.373 4.058 20 0 HIADMM Cc1ccc(-c2nc(C)c(C(=O)Nc3n[nH]c(-c4ccc([O-])c(Cl)c4)n3)s2)o1 ZINC000436911176 862089795 /nfs/dbraw/zinc/08/97/95/862089795.db2.gz FCXIPBZYXOVBBA-UHFFFAOYSA-N -1 1 415.862 4.416 20 0 HIADMM CCCOc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1OCC ZINC000436913455 862090799 /nfs/dbraw/zinc/09/07/99/862090799.db2.gz GSQPLOXMADDCAX-UHFFFAOYSA-N -1 1 416.865 4.271 20 0 HIADMM CCCOc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1OCC ZINC000436913455 862090811 /nfs/dbraw/zinc/09/08/11/862090811.db2.gz GSQPLOXMADDCAX-UHFFFAOYSA-N -1 1 416.865 4.271 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1C ZINC000055651316 850096989 /nfs/dbraw/zinc/09/69/89/850096989.db2.gz AWPFPUQJLMABAD-UHFFFAOYSA-N -1 1 400.544 4.285 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000055652346 850098135 /nfs/dbraw/zinc/09/81/35/850098135.db2.gz VEJWBOXCAPZITE-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM Cc1cc(C(=O)CCC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c(C)s1 ZINC000436914723 862093772 /nfs/dbraw/zinc/09/37/72/862093772.db2.gz MUDZGRTZPNUOQO-UHFFFAOYSA-N -1 1 404.879 4.111 20 0 HIADMM Cc1cc(C(=O)CCC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c(C)s1 ZINC000436914723 862093780 /nfs/dbraw/zinc/09/37/80/862093780.db2.gz MUDZGRTZPNUOQO-UHFFFAOYSA-N -1 1 404.879 4.111 20 0 HIADMM CSc1cccc([C@@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccc(F)c(F)c2)c1 ZINC000436915255 862096162 /nfs/dbraw/zinc/09/61/62/862096162.db2.gz PMPGJSGZXFDZID-HXUWFJFHSA-N -1 1 413.445 4.481 20 0 HIADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916329 862096566 /nfs/dbraw/zinc/09/65/66/862096566.db2.gz SOHINGMPQBLDAC-QMMMGPOBSA-N -1 1 411.220 4.029 20 0 HIADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916329 862096571 /nfs/dbraw/zinc/09/65/71/862096571.db2.gz SOHINGMPQBLDAC-QMMMGPOBSA-N -1 1 411.220 4.029 20 0 HIADMM O=C(Cc1csc(-c2cccs2)n1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915764 862096700 /nfs/dbraw/zinc/09/67/00/862096700.db2.gz PXWDUMASHBKJQC-UHFFFAOYSA-N -1 1 417.903 4.197 20 0 HIADMM O=C(Cc1csc(-c2cccs2)n1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915764 862096704 /nfs/dbraw/zinc/09/67/04/862096704.db2.gz PXWDUMASHBKJQC-UHFFFAOYSA-N -1 1 417.903 4.197 20 0 HIADMM CC(C)(C)O[C@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1 ZINC000436917290 862097830 /nfs/dbraw/zinc/09/78/30/862097830.db2.gz CSADRHJZNFPRAB-INIZCTEOSA-N -1 1 400.866 4.326 20 0 HIADMM CC(C)(C)O[C@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccccc1 ZINC000436917290 862097840 /nfs/dbraw/zinc/09/78/40/862097840.db2.gz CSADRHJZNFPRAB-INIZCTEOSA-N -1 1 400.866 4.326 20 0 HIADMM Cc1cc(NC(=O)c2cc(Br)ccc2[O-])ccc1OC1CCOCC1 ZINC000436920824 862101462 /nfs/dbraw/zinc/10/14/62/862101462.db2.gz QVFNILKQOLLKHR-UHFFFAOYSA-N -1 1 406.276 4.273 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000436933738 862112905 /nfs/dbraw/zinc/11/29/05/862112905.db2.gz QXBKLWZYIAMSGK-DZGCQCFKSA-N -1 1 411.380 4.013 20 0 HIADMM Cc1c(C(=O)[N-]NC(=O)c2ccccc2Br)oc2c1c(C)ccc2C ZINC000056379961 850341521 /nfs/dbraw/zinc/34/15/21/850341521.db2.gz AZVSHXOHONNXGF-UHFFFAOYSA-N -1 1 401.260 4.195 20 0 HIADMM C[C@H]1COCC[C@H]1NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436950983 862128120 /nfs/dbraw/zinc/12/81/20/862128120.db2.gz QQYPFQHYWKZQCD-APPDUMDISA-N -1 1 423.296 4.106 20 0 HIADMM C[C@H]1COCC[C@@H]1NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436950988 862128807 /nfs/dbraw/zinc/12/88/07/862128807.db2.gz QQYPFQHYWKZQCD-GTNSWQLSSA-N -1 1 423.296 4.106 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436954211 862134384 /nfs/dbraw/zinc/13/43/84/862134384.db2.gz FDHLTOSJUFNHIG-HXUWFJFHSA-N -1 1 403.385 4.244 20 0 HIADMM CCOc1ccc(N(CC)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436951769 862131211 /nfs/dbraw/zinc/13/12/11/862131211.db2.gz RVLCFKJRTNCRMB-UHFFFAOYSA-N -1 1 409.442 4.006 20 0 HIADMM O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1)c1ccccc1 ZINC000436952513 862131584 /nfs/dbraw/zinc/13/15/84/862131584.db2.gz JIMJHSKZJGHNSO-OAHLLOKOSA-N -1 1 424.888 4.041 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000436955125 862136925 /nfs/dbraw/zinc/13/69/25/862136925.db2.gz ZBLQUYJTESBXDJ-INIZCTEOSA-N -1 1 414.658 4.161 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3ccc(Br)c(C)c3)no2)c1 ZINC000436957329 862138429 /nfs/dbraw/zinc/13/84/29/862138429.db2.gz WZYDXJFZJJKDFV-UHFFFAOYSA-N -1 1 402.248 4.062 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1Cl ZINC000057121196 850551666 /nfs/dbraw/zinc/55/16/66/850551666.db2.gz INSZCCXQXVJNHE-UHFFFAOYSA-N -1 1 401.315 4.242 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H](C)c3ccc(Br)cc3)no2)c1 ZINC000436959510 862141037 /nfs/dbraw/zinc/14/10/37/862141037.db2.gz DBZMVQVRSOFBDD-JTQLQIEISA-N -1 1 402.248 4.315 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccn(Cc3ccccc3)n2)cc1 ZINC000057182690 850572036 /nfs/dbraw/zinc/57/20/36/850572036.db2.gz OSNFCPDXRIYNSV-UHFFFAOYSA-N -1 1 418.526 4.190 20 0 HIADMM Cc1ccc([C@H](C)CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436978186 862156210 /nfs/dbraw/zinc/15/62/10/862156210.db2.gz GPNMVRKMXAEPCU-WZONZLPQSA-N -1 1 416.521 4.378 20 0 HIADMM CCN(C(=O)c1cc(I)ccc1[O-])[C@@H](C)Cc1ccsc1 ZINC000436978082 862156654 /nfs/dbraw/zinc/15/66/54/862156654.db2.gz GKFJBMXEMJSSRU-NSHDSACASA-N -1 1 415.296 4.152 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCCC3(CCC3)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436982434 862159436 /nfs/dbraw/zinc/15/94/36/862159436.db2.gz GYBXDAULMBQKBP-UHFFFAOYSA-N -1 1 400.425 4.329 20 0 HIADMM CCNc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436986438 862165314 /nfs/dbraw/zinc/16/53/14/862165314.db2.gz FYFOYBXUBHGVIL-UHFFFAOYSA-N -1 1 414.849 4.278 20 0 HIADMM N#CCSc1ccccc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058254929 850787584 /nfs/dbraw/zinc/78/75/84/850787584.db2.gz VPAQYKJXAALBQV-UHFFFAOYSA-N -1 1 423.519 4.355 20 0 HIADMM CCCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000058272160 850790237 /nfs/dbraw/zinc/79/02/37/850790237.db2.gz IDPDSUQQEAQHOM-UHFFFAOYSA-N -1 1 418.412 4.041 20 0 HIADMM Cc1ccc2c(c1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)cc(F)c3)cc1[O-])C2 ZINC000436995555 862169942 /nfs/dbraw/zinc/16/99/42/862169942.db2.gz QPTJJAWTTWERMD-UHFFFAOYSA-N -1 1 422.431 4.430 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC)C3CCCC3)c2)cc1 ZINC000058365832 850809987 /nfs/dbraw/zinc/80/99/87/850809987.db2.gz HONVGKODGZILGH-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)C3CCCC3)cc2)cc1 ZINC000058365795 850810196 /nfs/dbraw/zinc/81/01/96/850810196.db2.gz RUGDLWZPCBBCFB-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM CS(=O)(=O)Nc1cccc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)c1 ZINC000437001106 862174313 /nfs/dbraw/zinc/17/43/13/862174313.db2.gz VKKIAHYRHPIQGG-UHFFFAOYSA-N -1 1 423.450 4.273 20 0 HIADMM CCOC(=O)N=c1[nH]c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1 ZINC000058495727 850840237 /nfs/dbraw/zinc/84/02/37/850840237.db2.gz YZAPRSUBAQMKNC-UHFFFAOYSA-N -1 1 411.892 4.319 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1 ZINC000059576801 851008235 /nfs/dbraw/zinc/00/82/35/851008235.db2.gz ABPZJBAEALWDNG-UHFFFAOYSA-N -1 1 410.547 4.401 20 0 HIADMM CCC(CC)CN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059894598 851022715 /nfs/dbraw/zinc/02/27/15/851022715.db2.gz YSDBMAHEVWQFEC-UHFFFAOYSA-N -1 1 420.550 4.454 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1C(F)(F)F)c1ccc(Br)s1 ZINC000059917565 851023994 /nfs/dbraw/zinc/02/39/94/851023994.db2.gz JPVYJMUPKCIDPP-UHFFFAOYSA-N -1 1 400.241 4.008 20 0 HIADMM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000060168740 851048574 /nfs/dbraw/zinc/04/85/74/851048574.db2.gz MAPONJHJFLMYPX-CYBMUJFWSA-N -1 1 423.738 4.327 20 0 HIADMM Cc1cc(C)cc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000060401281 851088037 /nfs/dbraw/zinc/08/80/37/851088037.db2.gz UINVDMHEBFCYLN-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000060621814 851170348 /nfs/dbraw/zinc/17/03/48/851170348.db2.gz REOCSZUTYGXORK-UHFFFAOYSA-N -1 1 412.486 4.289 20 0 HIADMM C[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)n1cnc2ccccc21 ZINC000060644752 851177197 /nfs/dbraw/zinc/17/71/97/851177197.db2.gz GVAKSBYQUXHJKZ-MRXNPFEDSA-N -1 1 420.494 4.037 20 0 HIADMM CC(C)(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000060657826 851180681 /nfs/dbraw/zinc/18/06/81/851180681.db2.gz UNSUEBUXBKHADK-UHFFFAOYSA-N -1 1 415.342 4.251 20 0 HIADMM O=C(Nc1ccc2ncccc2c1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000060788247 851213217 /nfs/dbraw/zinc/21/32/17/851213217.db2.gz SHOPUDYOQFDNKZ-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM O=C(Nc1ccc(O)cc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000060795108 851215245 /nfs/dbraw/zinc/21/52/45/851215245.db2.gz QEMQYSIKHGHSMI-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CC(C)c1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)OCCO3)cc1 ZINC000060838038 851227455 /nfs/dbraw/zinc/22/74/55/851227455.db2.gz ZDJWLFMYMYTJBC-UHFFFAOYSA-N -1 1 412.305 4.145 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000062295890 851525565 /nfs/dbraw/zinc/52/55/65/851525565.db2.gz OFXLPXMAWRCHRG-UHFFFAOYSA-N -1 1 420.490 4.344 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(Cl)c2cccnc12 ZINC000062482258 851561192 /nfs/dbraw/zinc/56/11/92/851561192.db2.gz CQXGODDEKITJKE-UHFFFAOYSA-N -1 1 418.902 4.397 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)c([O-])c1 ZINC000062916329 851604003 /nfs/dbraw/zinc/60/40/03/851604003.db2.gz SQLMGKKPIHLMAZ-UHFFFAOYSA-N -1 1 422.868 4.396 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(Cl)c2)cc1 ZINC000063180700 851628441 /nfs/dbraw/zinc/62/84/41/851628441.db2.gz WBDRJRCMDHKUCI-UHFFFAOYSA-N -1 1 424.950 4.412 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)CC3)ccc2C)c1 ZINC000063275311 851648601 /nfs/dbraw/zinc/64/86/01/851648601.db2.gz LDTZZAHNYXICDZ-INIZCTEOSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1C(F)(F)F ZINC000063877458 851783099 /nfs/dbraw/zinc/78/30/99/851783099.db2.gz MWNOCCQYRKNMNL-UHFFFAOYSA-N -1 1 411.760 4.305 20 0 HIADMM CCCCc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)n[nH]1 ZINC000064078749 851824354 /nfs/dbraw/zinc/82/43/54/851824354.db2.gz HUUQYHFGWDQMMM-UHFFFAOYSA-N -1 1 412.515 4.114 20 0 HIADMM Cc1ccc(C(=O)N(C)CC2CCCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000064088852 851825667 /nfs/dbraw/zinc/82/56/67/851825667.db2.gz ASALQXKKAIZYKK-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CN(CC1CCCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000064088971 851825871 /nfs/dbraw/zinc/82/58/71/851825871.db2.gz KCPCPASFBBHYQY-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000064317145 851869240 /nfs/dbraw/zinc/86/92/40/851869240.db2.gz BYYYSTHBPIHCEH-UHFFFAOYSA-N -1 1 416.909 4.311 20 0 HIADMM Cc1nc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)sc1-c1ccccc1 ZINC000064317265 851869421 /nfs/dbraw/zinc/86/94/21/851869421.db2.gz PDPMGOHBBWTIAB-UHFFFAOYSA-N -1 1 407.499 4.055 20 0 HIADMM Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n[nH]c1C1CC1 ZINC000064347249 851877072 /nfs/dbraw/zinc/87/70/72/851877072.db2.gz NHUOGAPJZWXNFZ-UHFFFAOYSA-N -1 1 424.526 4.265 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1 ZINC000064475057 851906903 /nfs/dbraw/zinc/90/69/03/851906903.db2.gz NMYLBLYFAFYHPJ-UHFFFAOYSA-N -1 1 401.513 4.268 20 0 HIADMM CCOC(=O)C1=C(NC(=O)C2=NO[C@H](c3ccccc3)C2)[N-]c2ccccc2N=C1C ZINC000064778829 851982454 /nfs/dbraw/zinc/98/24/54/851982454.db2.gz MNFDRFJFGVGRFU-IBGZPJMESA-N -1 1 418.453 4.453 20 0 HIADMM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937730 852026411 /nfs/dbraw/zinc/02/64/11/852026411.db2.gz FAWNAPNAKLZIPZ-UHFFFAOYSA-N -1 1 416.446 4.226 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)ccc1F ZINC000064937795 852026669 /nfs/dbraw/zinc/02/66/69/852026669.db2.gz URFNSGJGDSKBTG-UHFFFAOYSA-N -1 1 408.398 4.197 20 0 HIADMM O=C(NCC1CC1)N[N-]C(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1 ZINC000065191866 852085614 /nfs/dbraw/zinc/08/56/14/852085614.db2.gz MILVZEVKRUUZTA-UHFFFAOYSA-N -1 1 421.522 4.348 20 0 HIADMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000065223627 852090703 /nfs/dbraw/zinc/09/07/03/852090703.db2.gz QLDAQYIPZFIZLZ-UHFFFAOYSA-N -1 1 410.898 4.261 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000065458335 852141954 /nfs/dbraw/zinc/14/19/54/852141954.db2.gz GWCUAHONPFURKS-MRXNPFEDSA-N -1 1 423.513 4.047 20 0 HIADMM CCCCCN(Cc1ccc(F)cc1)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000072007781 852463303 /nfs/dbraw/zinc/46/33/03/852463303.db2.gz BXCXPOHFQDXTBF-UHFFFAOYSA-N -1 1 422.504 4.041 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cccc(C(F)(F)F)c1 ZINC000072035748 852478325 /nfs/dbraw/zinc/47/83/25/852478325.db2.gz SCAJUHYQLIJDHF-MRXNPFEDSA-N -1 1 411.405 4.234 20 0 HIADMM CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1(C)C ZINC000072081932 852500362 /nfs/dbraw/zinc/50/03/62/852500362.db2.gz BLQGUJSIEPVBBI-TZIWHRDSSA-N -1 1 412.555 4.342 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(CC)CC)cc2)cc1 ZINC000078511042 852517611 /nfs/dbraw/zinc/51/76/11/852517611.db2.gz PMIIXPCLJVHUAY-UHFFFAOYSA-N -1 1 404.532 4.052 20 0 HIADMM C[C@@H](SCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1nc2ccccc2[nH]1 ZINC000097028883 852575195 /nfs/dbraw/zinc/57/51/95/852575195.db2.gz TZOWBIMALMRPQQ-OAHLLOKOSA-N -1 1 423.538 4.184 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000097028943 852575238 /nfs/dbraw/zinc/57/52/38/852575238.db2.gz OODCPOBSJNXEHD-UHFFFAOYSA-N -1 1 409.873 4.171 20 0 HIADMM O=C(COc1ccc(Cl)cc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000097028886 852575283 /nfs/dbraw/zinc/57/52/83/852575283.db2.gz LCPFENSZMCNCEX-UHFFFAOYSA-N -1 1 408.281 4.199 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000097091390 852583045 /nfs/dbraw/zinc/58/30/45/852583045.db2.gz HTXNLKJZPAPLHW-UHFFFAOYSA-N -1 1 422.510 4.176 20 0 HIADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)CC1 ZINC000097552665 852630414 /nfs/dbraw/zinc/63/04/14/852630414.db2.gz PMAFLCIYMBBJHT-UHFFFAOYSA-N -1 1 419.510 4.306 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)c(=O)[n-]1 ZINC000105464576 852707267 /nfs/dbraw/zinc/70/72/67/852707267.db2.gz JTZWHPWGICLIQJ-OAQYLSRUSA-N -1 1 415.603 4.445 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1F ZINC000105664653 852721381 /nfs/dbraw/zinc/72/13/81/852721381.db2.gz OZIKFUWZLLAFFA-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(C)cc3C)c2)cc1 ZINC000105869715 852735503 /nfs/dbraw/zinc/73/55/03/852735503.db2.gz SXPHPPLBYILIGS-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CC(=O)Nc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccc1C ZINC000108157415 852825783 /nfs/dbraw/zinc/82/57/83/852825783.db2.gz KKQUNELTUBDZCT-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000108475671 852854552 /nfs/dbraw/zinc/85/45/52/852854552.db2.gz UNWLFLNPOZJLGI-UHFFFAOYSA-N -1 1 405.679 4.488 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N3CCCC3)c(F)c2)c1 ZINC000108528070 852856184 /nfs/dbraw/zinc/85/61/84/852856184.db2.gz FMUMECXTQYTTLD-UHFFFAOYSA-N -1 1 411.506 4.294 20 0 HIADMM O=C(Nc1ccncc1)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000108848382 852885196 /nfs/dbraw/zinc/88/51/96/852885196.db2.gz IGWHNQCILVVHPI-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000109216026 852938162 /nfs/dbraw/zinc/93/81/62/852938162.db2.gz QZVFUECTRXQYPV-MRXNPFEDSA-N -1 1 412.486 4.444 20 0 HIADMM CCOc1cccc([C@@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000109380989 852962143 /nfs/dbraw/zinc/96/21/43/852962143.db2.gz TYSAHJIVTFAURJ-CYBMUJFWSA-N -1 1 402.545 4.335 20 0 HIADMM O=C(NCc1cccc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110012188 853046691 /nfs/dbraw/zinc/04/66/91/853046691.db2.gz SVUBZRBFJQVGMK-HXUWFJFHSA-N -1 1 408.885 4.120 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)cc1C ZINC000110387124 853093088 /nfs/dbraw/zinc/09/30/88/853093088.db2.gz OJUJPTMWENOBCX-UHFFFAOYSA-N -1 1 401.488 4.286 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccccc1NCC(F)(F)F ZINC000115849572 853268467 /nfs/dbraw/zinc/26/84/67/853268467.db2.gz ORYWQBDKOIKGFG-UHFFFAOYSA-N -1 1 413.450 4.282 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3C(C)C)c2)cc1 ZINC000115906698 853271055 /nfs/dbraw/zinc/27/10/55/853271055.db2.gz NCMQQFAAKNDAHI-NRFANRHFSA-N -1 1 416.543 4.147 20 0 HIADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)Nc1cc(C(F)(F)F)ccc1Cl ZINC000116405417 853302606 /nfs/dbraw/zinc/30/26/06/853302606.db2.gz PCSSTPKVASVYSS-UHFFFAOYSA-N -1 1 409.694 4.138 20 0 HIADMM O=c1c2cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc2nc2n1CCC2 ZINC000116945148 853339710 /nfs/dbraw/zinc/33/97/10/853339710.db2.gz ZJSDHCIZDKVFKN-UHFFFAOYSA-N -1 1 423.538 4.191 20 0 HIADMM O=C(NCc1ccsc1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000117044591 853341694 /nfs/dbraw/zinc/34/16/94/853341694.db2.gz YCSXVAQDUGODCA-UHFFFAOYSA-N -1 1 406.916 4.132 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)o1 ZINC000117264749 853350489 /nfs/dbraw/zinc/35/04/89/853350489.db2.gz QUBZKDANHDXHCF-LJQANCHMSA-N -1 1 422.522 4.157 20 0 HIADMM CCCCCCOCc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000140074789 853432915 /nfs/dbraw/zinc/43/29/15/853432915.db2.gz CJSOYRPZHBNWST-UHFFFAOYSA-N -1 1 404.488 4.019 20 0 HIADMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(Cl)s3)n2)c1 ZINC000149737723 853629740 /nfs/dbraw/zinc/62/97/40/853629740.db2.gz LQEFDVNHFGZKRH-GFCCVEGCSA-N -1 1 417.899 4.495 20 0 HIADMM CCn1ncc2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc21 ZINC000195731213 853782930 /nfs/dbraw/zinc/78/29/30/853782930.db2.gz JWHDCNWMIQZRSA-UHFFFAOYSA-N -1 1 420.494 4.109 20 0 HIADMM Cc1cccc2c1CCN2C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000195735284 853785955 /nfs/dbraw/zinc/78/59/55/853785955.db2.gz ZCJNPHYNOWMUST-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM COc1ccccc1C(C)=CC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000209950218 853811699 /nfs/dbraw/zinc/81/16/99/853811699.db2.gz LOFOCPFSVOKCCC-SQFISAMPSA-N -1 1 400.548 4.340 20 0 HIADMM CC[C@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000215892970 853839388 /nfs/dbraw/zinc/83/93/88/853839388.db2.gz AFQDPEAHQLCXKG-IBGZPJMESA-N -1 1 404.507 4.340 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccnn3[C@H](C)C3CC3)cc2)cc1 ZINC000248007755 854172633 /nfs/dbraw/zinc/17/26/33/854172633.db2.gz WGECBLFAKKLBEV-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM C[C@@H]1CCC[C@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H]1C ZINC000251727316 854200220 /nfs/dbraw/zinc/20/02/20/854200220.db2.gz ITQHQVUHJJYDJK-XFQAVAEZSA-N -1 1 418.534 4.110 20 0 HIADMM O=C(CN1CCC(C(=O)c2ccc([O-])cc2)CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000261372305 854237140 /nfs/dbraw/zinc/23/71/40/854237140.db2.gz HMLNPNPCLVRSGU-VWLOTQADSA-N -1 1 420.553 4.335 20 0 HIADMM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261379472 854239985 /nfs/dbraw/zinc/23/99/85/854239985.db2.gz WCXJPVPUFPSMMC-ZJSXRUAMSA-N -1 1 422.525 4.164 20 0 HIADMM Cc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)c(Br)c1 ZINC000261402271 854249678 /nfs/dbraw/zinc/24/96/78/854249678.db2.gz MQRYJNVFLQPDBM-UHFFFAOYSA-N -1 1 422.226 4.003 20 0 HIADMM COc1ccccc1CC(C)(C)NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000261423855 854257411 /nfs/dbraw/zinc/25/74/11/854257411.db2.gz HOYMHGNWIRVZSR-UHFFFAOYSA-N -1 1 424.570 4.452 20 0 HIADMM Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301152376 854313955 /nfs/dbraw/zinc/31/39/55/854313955.db2.gz BFFHXWYAYUSPOW-UHFFFAOYSA-N -1 1 414.513 4.335 20 0 HIADMM Cc1ccc(C(=O)C2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)CC2)cc1 ZINC000301197025 854325740 /nfs/dbraw/zinc/32/57/40/854325740.db2.gz OISFMGUNHQOADA-UHFFFAOYSA-N -1 1 402.498 4.269 20 0 HIADMM O=c1[n-]c(Sc2nnc(Nc3ccccc3)s2)nc2c1cnn2-c1ccccc1 ZINC000301339932 854364482 /nfs/dbraw/zinc/36/44/82/854364482.db2.gz HZTVCKBYIIIDRH-UHFFFAOYSA-N -1 1 419.495 4.267 20 0 HIADMM COc1ccc(C2(CNc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)CCOCC2)cc1 ZINC000301387099 854379518 /nfs/dbraw/zinc/37/95/18/854379518.db2.gz XQDSKDJEICQWPU-UHFFFAOYSA-N -1 1 420.513 4.030 20 0 HIADMM Cc1nc(-c2ccc(NC[C@H](O)c3c(Cl)cccc3Cl)nc2)[n-]c(=O)c1C ZINC000301390982 854380518 /nfs/dbraw/zinc/38/05/18/854380518.db2.gz GTRFYQBZMJDIIB-HNNXBMFYSA-N -1 1 405.285 4.313 20 0 HIADMM Cc1nc(-c2ccc(N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)nc2)[n-]c(=O)c1C ZINC000301410368 854386128 /nfs/dbraw/zinc/38/61/28/854386128.db2.gz XSRPATAQBSHZLZ-GOSISDBHSA-N -1 1 406.461 4.099 20 0 HIADMM Cc1nc(-c2ccc(N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)nc2)[n-]c(=O)c1C ZINC000301413175 854387419 /nfs/dbraw/zinc/38/74/19/854387419.db2.gz ZFFMSEKKSQKEGO-OAQYLSRUSA-N -1 1 424.932 4.464 20 0 HIADMM CCc1nc([C@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)cs1 ZINC000301568341 854421901 /nfs/dbraw/zinc/42/19/01/854421901.db2.gz LFECCUOTQYDLPV-NSHDSACASA-N -1 1 424.498 4.353 20 0 HIADMM CCN(Cc1ccc(Cl)s1)C(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000302760556 854624226 /nfs/dbraw/zinc/62/42/26/854624226.db2.gz CLVSVKASABSOOA-UHFFFAOYSA-N -1 1 422.963 4.380 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n(-c2ccncc2)n1 ZINC000437319823 862586147 /nfs/dbraw/zinc/58/61/47/862586147.db2.gz AZKWLNSBJFIIEV-UHFFFAOYSA-N -1 1 417.705 4.337 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000302844111 854653370 /nfs/dbraw/zinc/65/33/70/854653370.db2.gz DKMZXHWYZPLYNT-UHFFFAOYSA-N -1 1 408.502 4.371 20 0 HIADMM O=S(=O)([N-]CCSc1ccc(Cl)cc1)c1sccc1Br ZINC000303005157 854719284 /nfs/dbraw/zinc/71/92/84/854719284.db2.gz VOGPZTBDEUELDB-UHFFFAOYSA-N -1 1 412.783 4.235 20 0 HIADMM CC(C)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1sccc1Br ZINC000437327332 862596857 /nfs/dbraw/zinc/59/68/57/862596857.db2.gz STJZUVUQYQABMQ-CQSZACIVSA-N -1 1 406.342 4.195 20 0 HIADMM Cc1ccc(C[C@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)c(C)c1 ZINC000303304410 854862449 /nfs/dbraw/zinc/86/24/49/854862449.db2.gz DIJMQQSEVVDCKN-HNNXBMFYSA-N -1 1 400.573 4.424 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(N2CCCC2)c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000303331736 854876037 /nfs/dbraw/zinc/87/60/37/854876037.db2.gz CSPHZCJRAAPBJY-UHFFFAOYSA-N -1 1 422.375 4.264 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)CCCN3C)cc1 ZINC000303400809 854909119 /nfs/dbraw/zinc/90/91/19/854909119.db2.gz OUGOMAQJWSVHCN-UHFFFAOYSA-N -1 1 407.543 4.327 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000303565466 855043154 /nfs/dbraw/zinc/04/31/54/855043154.db2.gz LYSXQOFCYNWLNV-HSZRJFAPSA-N -1 1 410.539 4.450 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC(C)(C)c2cccs2)cc1 ZINC000303599839 855070067 /nfs/dbraw/zinc/07/00/67/855070067.db2.gz UVRWRMAVLQQDDQ-UHFFFAOYSA-N -1 1 416.572 4.162 20 0 HIADMM Cc1cccnc1[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000303602279 855071244 /nfs/dbraw/zinc/07/12/44/855071244.db2.gz AOKBZUSPZIHCMH-OAQYLSRUSA-N -1 1 423.538 4.318 20 0 HIADMM CC(C)[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccn1 ZINC000303677281 855126372 /nfs/dbraw/zinc/12/63/72/855126372.db2.gz YEMRYAIPAOBSJG-OAQYLSRUSA-N -1 1 410.495 4.437 20 0 HIADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)Cn2c(-c3cccs3)n[n-]c2=S)s1 ZINC000303852903 855248662 /nfs/dbraw/zinc/24/86/62/855248662.db2.gz FXEKUDDJOCXUMF-LLVKDONJSA-N -1 1 407.590 4.216 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)c1F ZINC000312656829 855373217 /nfs/dbraw/zinc/37/32/17/855373217.db2.gz VSNCJQAWQRSQEO-UHFFFAOYSA-N -1 1 423.101 4.460 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1Br)c1c(Cl)nc2ccccn21 ZINC000319871207 855387620 /nfs/dbraw/zinc/38/76/20/855387620.db2.gz PFOJTMHKSNFHJO-UHFFFAOYSA-N -1 1 421.103 4.204 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)c(Cl)c2)c1 ZINC000320305862 855388116 /nfs/dbraw/zinc/38/81/16/855388116.db2.gz JKROZAZBTKWCJU-UHFFFAOYSA-N -1 1 406.660 4.245 20 0 HIADMM Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000322855573 855393159 /nfs/dbraw/zinc/39/31/59/855393159.db2.gz YEXSETGKJRRKOQ-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000324323967 855398391 /nfs/dbraw/zinc/39/83/91/855398391.db2.gz IRCSKOPCDRYVEE-GFCCVEGCSA-N -1 1 414.321 4.436 20 0 HIADMM CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000324909202 855400814 /nfs/dbraw/zinc/40/08/14/855400814.db2.gz FOBPLMVQGPRMIO-CHWSQXEVSA-N -1 1 419.341 4.241 20 0 HIADMM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1F ZINC000328163452 855422056 /nfs/dbraw/zinc/42/20/56/855422056.db2.gz RGPCPJYTAVMROB-UHFFFAOYSA-N -1 1 408.234 4.030 20 0 HIADMM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1c(Cl)cc(Br)cc1Cl ZINC000385980109 855442031 /nfs/dbraw/zinc/44/20/31/855442031.db2.gz ARTZWTNHZNMPCI-JTQLQIEISA-N -1 1 421.143 4.374 20 0 HIADMM COc1ccccc1-n1ncc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1C ZINC000409909721 855718392 /nfs/dbraw/zinc/71/83/92/855718392.db2.gz JBNOVJLNNFHGKA-UHFFFAOYSA-N -1 1 416.275 4.218 20 0 HIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410380038 855962432 /nfs/dbraw/zinc/96/24/32/855962432.db2.gz FHEFHPADQOOVAY-UHFFFAOYSA-N -1 1 406.660 4.245 20 0 HIADMM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410387283 855966734 /nfs/dbraw/zinc/96/67/34/855966734.db2.gz YTHLGSCSMAGYDV-UHFFFAOYSA-N -1 1 412.964 4.190 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cc1OC ZINC000425972428 856024169 /nfs/dbraw/zinc/02/41/69/856024169.db2.gz YJEPGCAYMUGSBC-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM CC(C)c1nn(C)cc1-c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000426196567 856170642 /nfs/dbraw/zinc/17/06/42/856170642.db2.gz MSYAULALBAPUPG-UHFFFAOYSA-N -1 1 423.498 4.061 20 0 HIADMM CCc1nc(CNCc2ccc(OC)c(OCc3ccccc3)c2)ccc1C(=O)[O-] ZINC000426637052 856387079 /nfs/dbraw/zinc/38/70/79/856387079.db2.gz JWGHOPGIFTWWSX-UHFFFAOYSA-N -1 1 406.482 4.220 20 0 HIADMM CCc1nc(CNCc2cc(Br)cc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000426649034 856393295 /nfs/dbraw/zinc/39/32/95/856393295.db2.gz VKQLYBPOLRPOMB-UHFFFAOYSA-N -1 1 417.225 4.413 20 0 HIADMM COc1cccc(-c2nn(C(C)(C)C)cc2CNCc2ccc(C(=O)[O-])c(C)n2)c1 ZINC000426661481 856399139 /nfs/dbraw/zinc/39/91/39/856399139.db2.gz ULJFYHHPTAJPSQ-UHFFFAOYSA-N -1 1 408.502 4.005 20 0 HIADMM O=C([O-])C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000426719409 856431977 /nfs/dbraw/zinc/43/19/77/856431977.db2.gz GHSLAFIESNGVDP-SFHVURJKSA-N -1 1 407.367 4.336 20 0 HIADMM O=C([O-])C[C@@H](NCc1cnc(-c2cccs2)s1)c1cnn(-c2ccccc2)c1 ZINC000426724726 856435889 /nfs/dbraw/zinc/43/58/89/856435889.db2.gz VIEWXHUELVLNCO-QGZVFWFLSA-N -1 1 410.524 4.363 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000426734305 856442129 /nfs/dbraw/zinc/44/21/29/856442129.db2.gz PRGIDBOPNGGIDV-OAHLLOKOSA-N -1 1 402.647 4.166 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000426749082 856453499 /nfs/dbraw/zinc/45/34/99/856453499.db2.gz CKSUNIIOPJTRBS-HNNXBMFYSA-N -1 1 402.647 4.166 20 0 HIADMM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1csc(COc2ccccc2)n1 ZINC000426757060 856459969 /nfs/dbraw/zinc/45/99/69/856459969.db2.gz NGGGLHFIMJDKPM-GOSISDBHSA-N -1 1 420.893 4.300 20 0 HIADMM O=C([O-])[C@H](NCc1ccc(Br)c(Br)c1)c1ccccc1F ZINC000426792597 856481314 /nfs/dbraw/zinc/48/13/14/856481314.db2.gz NDRSRVYQCMUQKX-CQSZACIVSA-N -1 1 417.072 4.266 20 0 HIADMM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1OCc1ccc(F)cc1 ZINC000426797631 856484772 /nfs/dbraw/zinc/48/47/72/856484772.db2.gz BOUXITZHKLPKLN-QFIPXVFZSA-N -1 1 413.420 4.468 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(F)c(C(F)(F)F)c2)c1OC ZINC000426798193 856484865 /nfs/dbraw/zinc/48/48/65/856484865.db2.gz INOFTYIMDYUHHR-OAHLLOKOSA-N -1 1 401.356 4.167 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000437427034 862802222 /nfs/dbraw/zinc/80/22/22/862802222.db2.gz KEWWAYGURLZRLI-XGAFWQRZSA-N -1 1 424.497 4.303 20 0 HIADMM O=C([O-])[C@@H](NCc1ccc(F)cc1Br)c1ccc(Br)cc1 ZINC000426804597 856488253 /nfs/dbraw/zinc/48/82/53/856488253.db2.gz VBCMMAHACSLQPI-AWEZNQCLSA-N -1 1 417.072 4.266 20 0 HIADMM COc1ccc(-c2ccncc2)cc1CN[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000426808728 856490132 /nfs/dbraw/zinc/49/01/32/856490132.db2.gz NSDNKXSZBLVMPT-HXUWFJFHSA-N -1 1 422.481 4.080 20 0 HIADMM O=C([O-])[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(Br)cc1 ZINC000426816346 856494443 /nfs/dbraw/zinc/49/44/43/856494443.db2.gz KEYBZCWAIYRFDG-KRWDZBQOSA-N -1 1 420.694 4.204 20 0 HIADMM COc1ccc(-c2ccncc2)cc1CN[C@@H](CC(=O)[O-])c1cccc(OC)c1OC ZINC000426830616 856502949 /nfs/dbraw/zinc/50/29/49/856502949.db2.gz ZNCZNHFNFWTSAC-FQEVSTJZSA-N -1 1 422.481 4.080 20 0 HIADMM O=C([O-])C[C@H](NCc1cc(Br)cc2c1OCC2)c1cccc(Cl)c1 ZINC000426828866 856503079 /nfs/dbraw/zinc/50/30/79/856503079.db2.gz WZQMPFXBRMTING-INIZCTEOSA-N -1 1 410.695 4.343 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000426972290 856572225 /nfs/dbraw/zinc/57/22/25/856572225.db2.gz NRWAETIWZWILOF-RADWXHQJSA-N -1 1 416.525 4.278 20 0 HIADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000427183299 856697202 /nfs/dbraw/zinc/69/72/02/856697202.db2.gz CPZWISYOWVIOMF-UXHICEINSA-N -1 1 418.584 4.282 20 0 HIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427266415 856743457 /nfs/dbraw/zinc/74/34/57/856743457.db2.gz SITUZWVFJRXYPO-UHFFFAOYSA-N -1 1 410.364 4.485 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1nc(Cc2ccccc2)no1 ZINC000427282900 856750422 /nfs/dbraw/zinc/75/04/22/856750422.db2.gz GOQZLQKETTYQBO-NSHDSACASA-N -1 1 412.298 4.007 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cccc1-c1ncco1 ZINC000427320445 856770030 /nfs/dbraw/zinc/77/00/30/856770030.db2.gz LYILBPKSVODYJC-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H]4CCCC[C@H]4C3)c2)c1 ZINC000427333974 856778431 /nfs/dbraw/zinc/77/84/31/856778431.db2.gz DYVQOFZBMJZABM-PMACEKPBSA-N -1 1 412.555 4.366 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000427361662 856793698 /nfs/dbraw/zinc/79/36/98/856793698.db2.gz GKKJJPAWDRRIHT-HZPDHXFCSA-N -1 1 420.481 4.028 20 0 HIADMM Cc1cc(C)nc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)c1 ZINC000437486908 862844628 /nfs/dbraw/zinc/84/46/28/862844628.db2.gz XIVMXYYJGVFTEG-UHFFFAOYSA-N -1 1 413.474 4.199 20 0 HIADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccnc(N2CCc3ccccc3C2)c1 ZINC000427640501 856895174 /nfs/dbraw/zinc/89/51/74/856895174.db2.gz XJZZTPBAPWCKIW-UHFFFAOYSA-N -1 1 423.538 4.071 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](C)C(F)(F)C3)cc2)c1 ZINC000427649465 856896767 /nfs/dbraw/zinc/89/67/67/856896767.db2.gz YFBUGYFHTNZJEM-MRXNPFEDSA-N -1 1 422.497 4.222 20 0 HIADMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c1 ZINC000427649505 856896854 /nfs/dbraw/zinc/89/68/54/856896854.db2.gz YNUQFSSGEPLAJI-UHFFFAOYSA-N -1 1 414.458 4.092 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1Cl ZINC000427647502 856897003 /nfs/dbraw/zinc/89/70/03/856897003.db2.gz VUTPJEQLSSSKBB-UHFFFAOYSA-N -1 1 416.886 4.298 20 0 HIADMM CN1Cc2cccc([N-]S(=O)(=O)c3ccc4cc(Br)ccc4c3)c2C1 ZINC000427769828 856947298 /nfs/dbraw/zinc/94/72/98/856947298.db2.gz JIONBKCUKXQITF-UHFFFAOYSA-N -1 1 417.328 4.349 20 0 HIADMM CCN(CC)[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000427981553 857031986 /nfs/dbraw/zinc/03/19/86/857031986.db2.gz OSIBFGYXPAJVND-SFHVURJKSA-N -1 1 408.420 4.103 20 0 HIADMM CCN(CC)[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000427981552 857032484 /nfs/dbraw/zinc/03/24/84/857032484.db2.gz OSIBFGYXPAJVND-GOSISDBHSA-N -1 1 408.420 4.103 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cnc2c(F)cccc2c1 ZINC000428174552 857097696 /nfs/dbraw/zinc/09/76/96/857097696.db2.gz FJERXYPFSJWBIR-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000428253275 857127484 /nfs/dbraw/zinc/12/74/84/857127484.db2.gz AOZWTZCABJIFGJ-UHFFFAOYSA-N -1 1 405.911 4.156 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CC2(C1)CCCC2 ZINC000428296251 857144572 /nfs/dbraw/zinc/14/45/72/857144572.db2.gz VZPDZAOOAWGPEL-UHFFFAOYSA-N -1 1 422.909 4.296 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCCCCc1ccc(F)cc1 ZINC000428613635 857278431 /nfs/dbraw/zinc/27/84/31/857278431.db2.gz BAXFUZAMILAKKZ-UHFFFAOYSA-N -1 1 422.504 4.154 20 0 HIADMM Cc1ccc(C(=O)N(C)C2(C)CCCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000428661847 857292594 /nfs/dbraw/zinc/29/25/94/857292594.db2.gz WDWYKXSLWSWHQV-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM COc1ccc(NC(=O)CC(C)(C)Cc2ccc(Cl)cc2)cc1[N-]S(C)(=O)=O ZINC000437583079 862898180 /nfs/dbraw/zinc/89/81/80/862898180.db2.gz ZUIATJNAZQNTHT-UHFFFAOYSA-N -1 1 424.950 4.318 20 0 HIADMM CCC(C)(C)CNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000429007754 857454132 /nfs/dbraw/zinc/45/41/32/857454132.db2.gz KGYJGVYSOODTHG-UHFFFAOYSA-N -1 1 403.548 4.065 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1nc(C2CCCCC2)no1 ZINC000429847019 857910174 /nfs/dbraw/zinc/91/01/74/857910174.db2.gz PICXGVOLQMPEEI-JTQLQIEISA-N -1 1 404.319 4.464 20 0 HIADMM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)s1 ZINC000437653330 862987571 /nfs/dbraw/zinc/98/75/71/862987571.db2.gz BSIHZFXQTQSDPK-XOBRGWDASA-N -1 1 404.557 4.256 20 0 HIADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000430454396 858173817 /nfs/dbraw/zinc/17/38/17/858173817.db2.gz KGLOHQFJJSYMNV-CZUORRHYSA-N -1 1 408.470 4.026 20 0 HIADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000430455524 858173965 /nfs/dbraw/zinc/17/39/65/858173965.db2.gz MDXFVWQUBNSRPX-CZUORRHYSA-N -1 1 408.470 4.026 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)cc2)cc1 ZINC000430457426 858174547 /nfs/dbraw/zinc/17/45/47/858174547.db2.gz QOOSBMNBYYKSAW-VQIMIIECSA-N -1 1 416.543 4.147 20 0 HIADMM O=S(=O)([N-]C1(c2ccc3c(c2)OCO3)CC1)c1c(Cl)cccc1C(F)(F)F ZINC000431284141 858546098 /nfs/dbraw/zinc/54/60/98/858546098.db2.gz TVTWYVRRLPRDGY-UHFFFAOYSA-N -1 1 419.808 4.055 20 0 HIADMM COc1ccc(CC(=O)Nc2cc([O-])c(Br)cc2Br)cc1 ZINC000431443566 858618527 /nfs/dbraw/zinc/61/85/27/858618527.db2.gz FLKZBVNUGNOTJL-UHFFFAOYSA-N -1 1 415.081 4.107 20 0 HIADMM COc1ccccc1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431449943 858621702 /nfs/dbraw/zinc/62/17/02/858621702.db2.gz BOKBKXIOJKDZLY-UHFFFAOYSA-N -1 1 401.054 4.178 20 0 HIADMM O=C(Cc1ccc(F)cc1)Nc1cc([O-])c(Br)cc1Br ZINC000431450249 858621890 /nfs/dbraw/zinc/62/18/90/858621890.db2.gz PNEFHCZPIHLEMU-UHFFFAOYSA-N -1 1 403.045 4.238 20 0 HIADMM O=C(CC[C@@H]1CCCCO1)Nc1cc([O-])c(Br)cc1Br ZINC000431459341 858626952 /nfs/dbraw/zinc/62/69/52/858626952.db2.gz NTPMBKHKVWPUJR-VIFPVBQESA-N -1 1 407.102 4.205 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c[nH]c(C(F)(F)F)c1 ZINC000431670918 858727100 /nfs/dbraw/zinc/72/71/00/858727100.db2.gz BKRHJWCVUDYURL-UHFFFAOYSA-N -1 1 409.389 4.087 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431893067 858859191 /nfs/dbraw/zinc/85/91/91/858859191.db2.gz ZVXJEACEGXEXPK-MRVPVSSYSA-N -1 1 404.300 4.144 20 0 HIADMM CO[C@H]1CCC[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000432055177 858954168 /nfs/dbraw/zinc/95/41/68/858954168.db2.gz YMESTONGLKUBOB-XLIONFOSSA-N -1 1 416.543 4.248 20 0 HIADMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cc(Br)ccc3F)cc21 ZINC000432071993 858967410 /nfs/dbraw/zinc/96/74/10/858967410.db2.gz OCCWINWJCOWYIB-UHFFFAOYSA-N -1 1 418.671 4.171 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)c(Cl)c3)ccc2[nH]1 ZINC000432184255 859036430 /nfs/dbraw/zinc/03/64/30/859036430.db2.gz FICRLVICSVFVEO-UHFFFAOYSA-N -1 1 418.902 4.304 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(OCC(F)(F)F)cc1 ZINC000432201073 859044130 /nfs/dbraw/zinc/04/41/30/859044130.db2.gz CFCRPUOHFANNNH-UHFFFAOYSA-N -1 1 412.389 4.447 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC4(CCC4)C[C@@H]3C)cc2)ccc1F ZINC000432606183 859252010 /nfs/dbraw/zinc/25/20/10/859252010.db2.gz AKKBFENIEFNTMZ-INIZCTEOSA-N -1 1 416.518 4.340 20 0 HIADMM C[C@H]1CC2(CCC2)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000432617549 859257198 /nfs/dbraw/zinc/25/71/98/859257198.db2.gz OJXNHFYNMFNSHH-HNNXBMFYSA-N -1 1 402.491 4.031 20 0 HIADMM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ncc(C(=O)OC)[n-]3)ccc21 ZINC000432654646 859276137 /nfs/dbraw/zinc/27/61/37/859276137.db2.gz HLAMLIFOSYHHSA-CYBMUJFWSA-N -1 1 422.510 4.443 20 0 HIADMM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nc(C(=O)OC)c[n-]3)ccc21 ZINC000432654646 859276143 /nfs/dbraw/zinc/27/61/43/859276143.db2.gz HLAMLIFOSYHHSA-CYBMUJFWSA-N -1 1 422.510 4.443 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(-c4cscn4)no3)c2)c1 ZINC000432693916 859299595 /nfs/dbraw/zinc/29/95/95/859299595.db2.gz RVHDUBXVXNQYBG-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2C)cc1Cl ZINC000432762405 859341070 /nfs/dbraw/zinc/34/10/70/859341070.db2.gz GGJGBDHCTCETOE-UHFFFAOYSA-N -1 1 424.950 4.152 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c(C)c1 ZINC000432770912 859351661 /nfs/dbraw/zinc/35/16/61/859351661.db2.gz JCXWYIUBLKBAAQ-CQSZACIVSA-N -1 1 424.950 4.295 20 0 HIADMM CCOCCC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000432784999 859358231 /nfs/dbraw/zinc/35/82/31/859358231.db2.gz RCJOHCVBCCQQGD-UHFFFAOYSA-N -1 1 402.516 4.023 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3cccc4ccccc43)c2)n1 ZINC000432901105 859417754 /nfs/dbraw/zinc/41/77/54/859417754.db2.gz CWEAROIVZMBKGS-UHFFFAOYSA-N -1 1 415.453 4.123 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nnc(C(C)C)n3c2)cc1C(C)C ZINC000432956699 859447516 /nfs/dbraw/zinc/44/75/16/859447516.db2.gz VYZUWJJMAKKTRE-UHFFFAOYSA-N -1 1 402.520 4.094 20 0 HIADMM O=S(=O)([N-]c1ncccc1Br)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000433386923 859670549 /nfs/dbraw/zinc/67/05/49/859670549.db2.gz FGONPIIAWNKCST-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C3CCCCC3)c2)c1 ZINC000433525708 859756791 /nfs/dbraw/zinc/75/67/91/859756791.db2.gz QHZZHLXTYFZQPS-UHFFFAOYSA-N -1 1 421.584 4.297 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)c1 ZINC000433527712 859758156 /nfs/dbraw/zinc/75/81/56/859758156.db2.gz HNHFMBQKZDETKZ-UHFFFAOYSA-N -1 1 406.507 4.253 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)CC)c2)cc1Br ZINC000433604396 859805393 /nfs/dbraw/zinc/80/53/93/859805393.db2.gz OELZCBNDYLUUHF-UHFFFAOYSA-N -1 1 412.305 4.241 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1nccs1 ZINC000433650247 859823854 /nfs/dbraw/zinc/82/38/54/859823854.db2.gz RCQHSHAMWRFRKE-LURJTMIESA-N -1 1 401.760 4.050 20 0 HIADMM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cc(Br)sc1Cl ZINC000433652205 859824784 /nfs/dbraw/zinc/82/47/84/859824784.db2.gz BWQYJHQIVUPQKE-UHFFFAOYSA-N -1 1 423.766 4.252 20 0 HIADMM CSC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)CCC1 ZINC000433690148 859838712 /nfs/dbraw/zinc/83/87/12/859838712.db2.gz SJSOZLSRRDHZFM-UHFFFAOYSA-N -1 1 418.584 4.120 20 0 HIADMM COc1cc(Br)c(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Cl ZINC000433806449 859903178 /nfs/dbraw/zinc/90/31/78/859903178.db2.gz UCSGNGUXILMKHZ-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1Cl ZINC000433812559 859907525 /nfs/dbraw/zinc/90/75/25/859907525.db2.gz WRRCGRCEHVPHKW-UHFFFAOYSA-N -1 1 408.676 4.359 20 0 HIADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000433944557 859992007 /nfs/dbraw/zinc/99/20/07/859992007.db2.gz WOIKKJYXILYZNQ-INIZCTEOSA-N -1 1 410.495 4.026 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ncnc2c(F)cccc21 ZINC000434075421 860083809 /nfs/dbraw/zinc/08/38/09/860083809.db2.gz AUSPJIWVEQUPSS-UHFFFAOYSA-N -1 1 422.485 4.206 20 0 HIADMM CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccnc1 ZINC000434344785 860303484 /nfs/dbraw/zinc/30/34/84/860303484.db2.gz PWWQCLQONXCOGM-JOCHJYFZSA-N -1 1 423.538 4.052 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCSC(C)(C)C3)c2)c1 ZINC000434369795 860316961 /nfs/dbraw/zinc/31/69/61/860316961.db2.gz MLYNRZXGAYSGQR-UHFFFAOYSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)s1 ZINC000434379659 860324029 /nfs/dbraw/zinc/32/40/29/860324029.db2.gz LEYMZVYCNORTSM-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM CC(C)(C)OC(=O)c1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)cc1 ZINC000434887802 860536728 /nfs/dbraw/zinc/53/67/28/860536728.db2.gz OXKRNLYBVGNKLL-UHFFFAOYSA-N -1 1 402.516 4.312 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000434972562 860582257 /nfs/dbraw/zinc/58/22/57/860582257.db2.gz HWPKSHPTZZMNKI-OAQYLSRUSA-N -1 1 424.570 4.002 20 0 HIADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)sc1C ZINC000435209066 860695908 /nfs/dbraw/zinc/69/59/08/860695908.db2.gz AOUHSAXWSVTQRZ-CQSZACIVSA-N -1 1 415.540 4.052 20 0 HIADMM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1c(Cl)cc(F)cc1Cl ZINC000435438875 860798712 /nfs/dbraw/zinc/79/87/12/860798712.db2.gz QCROUKMRNYKDGE-UHFFFAOYSA-N -1 1 423.240 4.129 20 0 HIADMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000435474711 860811988 /nfs/dbraw/zinc/81/19/88/860811988.db2.gz XPEAWHGOLQSQCO-UHFFFAOYSA-N -1 1 402.303 4.196 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1coc(C)c1 ZINC000435837495 861100462 /nfs/dbraw/zinc/10/04/62/861100462.db2.gz TXCFNKCHTOOVNQ-UHFFFAOYSA-N -1 1 420.874 4.303 20 0 HIADMM CC1=CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)C1 ZINC000437960713 863331862 /nfs/dbraw/zinc/33/18/62/863331862.db2.gz ZLXFFPOFJOHGAK-UHFFFAOYSA-N -1 1 424.444 4.298 20 0 HIADMM Cc1ncccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438041319 863400796 /nfs/dbraw/zinc/40/07/96/863400796.db2.gz WXRFXVPQWSVYJA-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CCc1ncsc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000438230701 863667816 /nfs/dbraw/zinc/66/78/16/863667816.db2.gz BJQHWEMNRZXJPL-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000467861441 881713167 /nfs/dbraw/zinc/71/31/67/881713167.db2.gz CYEZEAKFGCFKSV-HIFRSBDPSA-N -1 1 421.278 4.405 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000467871294 881728541 /nfs/dbraw/zinc/72/85/41/881728541.db2.gz KZSPDINNSJRRPX-PXNSSMCTSA-N -1 1 416.525 4.280 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1ccc(Br)cc1 ZINC000438724241 864207091 /nfs/dbraw/zinc/20/70/91/864207091.db2.gz PWMSXUCECAVHRX-UHFFFAOYSA-N -1 1 405.273 4.437 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(Br)c3)cc2)o1 ZINC000438725062 864208216 /nfs/dbraw/zinc/20/82/16/864208216.db2.gz RMSGBHKIWCRWIH-UHFFFAOYSA-N -1 1 422.304 4.171 20 0 HIADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000438759647 864253171 /nfs/dbraw/zinc/25/31/71/864253171.db2.gz ZFQJGEFICUCIRD-UHFFFAOYSA-N -1 1 407.438 4.085 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc1 ZINC000438776372 864271700 /nfs/dbraw/zinc/27/17/00/864271700.db2.gz SMJLHZWHWAHMKK-UHFFFAOYSA-N -1 1 421.425 4.314 20 0 HIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(Br)c3)cc2)n1 ZINC000438782120 864276798 /nfs/dbraw/zinc/27/67/98/864276798.db2.gz XNOLCTFKJMDDTE-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1Cl ZINC000438798657 864289592 /nfs/dbraw/zinc/28/95/92/864289592.db2.gz UIXSUNJCCRBMEL-UHFFFAOYSA-N -1 1 408.676 4.441 20 0 HIADMM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(F)c(Br)c1 ZINC000438809703 864300729 /nfs/dbraw/zinc/30/07/29/864300729.db2.gz LZOWXFUFGDVXPS-UHFFFAOYSA-N -1 1 409.074 4.152 20 0 HIADMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000438849678 864345131 /nfs/dbraw/zinc/34/51/31/864345131.db2.gz FJMCDMKCMJRGRX-UHFFFAOYSA-N -1 1 400.544 4.169 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1cccc(C(F)(F)F)c1 ZINC000438984137 864446805 /nfs/dbraw/zinc/44/68/05/864446805.db2.gz JLUDRTGNVQKOIE-UHFFFAOYSA-N -1 1 406.376 4.087 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)cc1C(F)(F)F ZINC000438986315 864448479 /nfs/dbraw/zinc/44/84/79/864448479.db2.gz PVYYKZGTFCXGRM-UHFFFAOYSA-N -1 1 420.403 4.395 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)C3(C)CC3)c2)cc1 ZINC000439024551 864480029 /nfs/dbraw/zinc/48/00/29/864480029.db2.gz UGJRBIZDTHSAGF-INIZCTEOSA-N -1 1 416.543 4.147 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000439062579 864514583 /nfs/dbraw/zinc/51/45/83/864514583.db2.gz YJMIRUNSZDGKBO-NFBKMPQASA-N -1 1 414.505 4.166 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1F ZINC000467937731 881809760 /nfs/dbraw/zinc/80/97/60/881809760.db2.gz ISWOGZKBCAWBRI-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1C ZINC000439576792 864897394 /nfs/dbraw/zinc/89/73/94/864897394.db2.gz CNUUVRKLYAATOP-UHFFFAOYSA-N -1 1 418.540 4.101 20 0 HIADMM O=C(Nc1ccccc1-c1cn[nH]c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000439740178 865073125 /nfs/dbraw/zinc/07/31/25/865073125.db2.gz ARHFKYPPIZVZFH-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM COc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c(OCc2ccccc2)c1 ZINC000439877428 865187479 /nfs/dbraw/zinc/18/74/79/865187479.db2.gz SMIGEKDDZVTCNX-UHFFFAOYSA-N -1 1 406.438 4.191 20 0 HIADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccccc3NCC(F)(F)F)ccc2O1 ZINC000440286069 865539172 /nfs/dbraw/zinc/53/91/72/865539172.db2.gz QNFRZQANWXSIPB-UHFFFAOYSA-N -1 1 400.422 4.175 20 0 HIADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(-c4noc(C(F)F)n4)cc3)ccc2O1 ZINC000440291539 865545060 /nfs/dbraw/zinc/54/50/60/865545060.db2.gz AQIMGSLTWIQYPV-UHFFFAOYSA-N -1 1 421.425 4.189 20 0 HIADMM CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000440305564 865566839 /nfs/dbraw/zinc/56/68/39/865566839.db2.gz SGCSOONNXJOABQ-UHFFFAOYSA-N -1 1 417.527 4.085 20 0 HIADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)O1 ZINC000440366729 865650504 /nfs/dbraw/zinc/65/05/04/865650504.db2.gz MCGVWPYWBMVIMM-KDOFPFPSSA-N -1 1 422.934 4.427 20 0 HIADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)O1 ZINC000440367380 865650591 /nfs/dbraw/zinc/65/05/91/865650591.db2.gz OJTWIZKILYSZKC-KDOFPFPSSA-N -1 1 422.934 4.427 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)c1nc(C(F)(F)F)cs1 ZINC000440375072 865665637 /nfs/dbraw/zinc/66/56/37/865665637.db2.gz CGSPNPAREYJRSG-JTQLQIEISA-N -1 1 400.394 4.178 20 0 HIADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000440403575 865697262 /nfs/dbraw/zinc/69/72/62/865697262.db2.gz FRGIXMHAISDGKB-CABCVRRESA-N -1 1 406.935 4.401 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)cc2)cc1C ZINC000440414626 865709077 /nfs/dbraw/zinc/70/90/77/865709077.db2.gz ZZDMKDDJKNOMRZ-YJBOKZPZSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)CC[C@H]3C)cc2)cc1C ZINC000440414624 865709774 /nfs/dbraw/zinc/70/97/74/865709774.db2.gz ZZDMKDDJKNOMRZ-MAUKXSAKSA-N -1 1 400.544 4.365 20 0 HIADMM O=C(NCCCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000440534718 865806963 /nfs/dbraw/zinc/80/69/63/865806963.db2.gz UFKHEGSRIDFHTK-UHFFFAOYSA-N -1 1 420.840 4.213 20 0 HIADMM Cc1ccc(NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)s1 ZINC000440784926 865909965 /nfs/dbraw/zinc/90/99/65/865909965.db2.gz VFLRVVDRZRUYOW-UHFFFAOYSA-N -1 1 401.513 4.179 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1Cl ZINC000440828196 865943960 /nfs/dbraw/zinc/94/39/60/865943960.db2.gz AQFCUBCUFPGYPX-UHFFFAOYSA-N -1 1 418.858 4.115 20 0 HIADMM CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)s[n-]1 ZINC000441220987 866295225 /nfs/dbraw/zinc/29/52/25/866295225.db2.gz FLUHUEDHBSFHKS-CYBMUJFWSA-N -1 1 404.927 4.156 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000468144394 882000748 /nfs/dbraw/zinc/00/07/48/882000748.db2.gz MVYVOSQBHQXIMI-MNZLEMJZSA-N -1 1 406.454 4.140 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)ccc1F ZINC000441715519 866817364 /nfs/dbraw/zinc/81/73/64/866817364.db2.gz HFPBMVVPZAGCPV-UHFFFAOYSA-N -1 1 404.385 4.080 20 0 HIADMM C[C@@H](Sc1ccccn1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000442083663 867113188 /nfs/dbraw/zinc/11/31/88/867113188.db2.gz FLUPYZRCCAPERE-OAHLLOKOSA-N -1 1 413.524 4.002 20 0 HIADMM Cc1ccccc1COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000442310691 867318927 /nfs/dbraw/zinc/31/89/27/867318927.db2.gz UVBXBPBWPZFQCS-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM COc1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc(Cl)c1[O-] ZINC000442726227 867651358 /nfs/dbraw/zinc/65/13/58/867651358.db2.gz BVEDULBRSUCXNT-UHFFFAOYSA-N -1 1 417.868 4.288 20 0 HIADMM COc1ccc(Oc2cc(CNC(=O)c3cc(Cl)c([O-])c(OC)c3)ccn2)cc1 ZINC000442730411 867652970 /nfs/dbraw/zinc/65/29/70/867652970.db2.gz DTESTVZVDAEQNS-UHFFFAOYSA-N -1 1 414.845 4.180 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ccccc2)ccc1[O-] ZINC000442834080 867692203 /nfs/dbraw/zinc/69/22/03/867692203.db2.gz AEFJYNNWYCULBV-UHFFFAOYSA-N -1 1 416.886 4.472 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1c[nH]c2cccc(F)c21 ZINC000442847338 867696796 /nfs/dbraw/zinc/69/67/96/867696796.db2.gz LBWMBWFLDKILMZ-UHFFFAOYSA-N -1 1 405.195 4.149 20 0 HIADMM COc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc(Cl)c1[O-] ZINC000442947008 867757296 /nfs/dbraw/zinc/75/72/96/867757296.db2.gz RFZIQVNTWWZKRU-UHFFFAOYSA-N -1 1 408.281 4.443 20 0 HIADMM COc1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc(Cl)c1[O-] ZINC000442959971 867766081 /nfs/dbraw/zinc/76/60/81/867766081.db2.gz WPSWPFJMQJORKX-MRXNPFEDSA-N -1 1 413.861 4.472 20 0 HIADMM CCOc1cc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)cc(Cl)c1[O-] ZINC000443096441 867818124 /nfs/dbraw/zinc/81/81/24/867818124.db2.gz IGFXSMPIMIWCSA-UHFFFAOYSA-N -1 1 408.241 4.329 20 0 HIADMM COc1cc(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000443116579 867827423 /nfs/dbraw/zinc/82/74/23/867827423.db2.gz KQTWUCOLYFWNKI-INIZCTEOSA-N -1 1 415.795 4.287 20 0 HIADMM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cc2)n1 ZINC000443121540 867829550 /nfs/dbraw/zinc/82/95/50/867829550.db2.gz XHCQKDHUGJOGCQ-HNNXBMFYSA-N -1 1 407.518 4.082 20 0 HIADMM COc1cc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)cc(Cl)c1[O-] ZINC000443212337 867878733 /nfs/dbraw/zinc/87/87/33/867878733.db2.gz MIIHXQHOMYQIQD-UHFFFAOYSA-N -1 1 410.817 4.277 20 0 HIADMM COc1cc(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000443300737 867894618 /nfs/dbraw/zinc/89/46/18/867894618.db2.gz YGOQFKVUHJDGRT-GOSISDBHSA-N -1 1 403.906 4.227 20 0 HIADMM COc1cc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc(Cl)c1[O-] ZINC000443325582 867904310 /nfs/dbraw/zinc/90/43/10/867904310.db2.gz XWFBDODKSUOVKO-GOSISDBHSA-N -1 1 418.280 4.359 20 0 HIADMM COc1cccc(Cl)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000468238628 882134535 /nfs/dbraw/zinc/13/45/35/882134535.db2.gz WIQPXCFJFFOQQM-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CC[C@@H](C)OCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000443394086 867951235 /nfs/dbraw/zinc/95/12/35/867951235.db2.gz RERXZIVNQOWWKR-CQSZACIVSA-N -1 1 410.923 4.203 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000443398848 867956343 /nfs/dbraw/zinc/95/63/43/867956343.db2.gz JZOHVSADNTXIAW-UHFFFAOYSA-N -1 1 402.497 4.200 20 0 HIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1C ZINC000443410613 867992901 /nfs/dbraw/zinc/99/29/01/867992901.db2.gz RJRCDSKFVBTXCA-UHFFFAOYSA-N -1 1 401.513 4.186 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(-c4n[nH]c(C)n4)cc3)c2)n1 ZINC000443411191 867994307 /nfs/dbraw/zinc/99/43/07/867994307.db2.gz CYIZSMOZJSWYRX-UHFFFAOYSA-N -1 1 411.512 4.013 20 0 HIADMM CC(C)N1CCc2nc(/C=C\c3nc(-c4ccccc4)ncc3C(=O)[O-])sc2C1 ZINC000443445661 868032772 /nfs/dbraw/zinc/03/27/72/868032772.db2.gz RKCPKICSXCNUNH-HJWRWDBZSA-N -1 1 406.511 4.235 20 0 HIADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443448411 868035063 /nfs/dbraw/zinc/03/50/63/868035063.db2.gz BCNGGZBCNIODID-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM O=c1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc2[nH]1 ZINC000443477450 868062809 /nfs/dbraw/zinc/06/28/09/868062809.db2.gz RWVVLSWNVVOZQO-UHFFFAOYSA-N -1 1 416.808 4.091 20 0 HIADMM C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000443532629 868090424 /nfs/dbraw/zinc/09/04/24/868090424.db2.gz SSDIOMJIGLTGDJ-MRXNPFEDSA-N -1 1 410.495 4.432 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1N[C@H](C)c1ccccc1 ZINC000443532324 868091115 /nfs/dbraw/zinc/09/11/15/868091115.db2.gz STEPCXGZRIXUAT-CYBMUJFWSA-N -1 1 400.456 4.260 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCC2(CCC2)C1 ZINC000468263709 882178103 /nfs/dbraw/zinc/17/81/03/882178103.db2.gz AEPXTQPZBLGDPC-UHFFFAOYSA-N -1 1 404.919 4.157 20 0 HIADMM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)sc2nc3n(c(=O)c12)CCCCC3 ZINC000443914253 868450056 /nfs/dbraw/zinc/45/00/56/868450056.db2.gz FXZYYIPKKLHBCF-UHFFFAOYSA-N -1 1 407.417 4.162 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000468277810 882199820 /nfs/dbraw/zinc/19/98/20/882199820.db2.gz HLEIVVYOCHAIOX-LLVKDONJSA-N -1 1 413.465 4.084 20 0 HIADMM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000444048784 868586147 /nfs/dbraw/zinc/58/61/47/868586147.db2.gz KAMZFMGGCQJQDE-UHFFFAOYSA-N -1 1 414.955 4.137 20 0 HIADMM COc1cccc(Cl)c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444350964 868778741 /nfs/dbraw/zinc/77/87/41/868778741.db2.gz JAQLYLADKDAUSD-UHFFFAOYSA-N -1 1 402.878 4.369 20 0 HIADMM O=C(CCC(=O)c1cccc(F)c1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444348828 868779185 /nfs/dbraw/zinc/77/91/85/868779185.db2.gz CDLXWWNWVMEESD-UHFFFAOYSA-N -1 1 412.461 4.195 20 0 HIADMM CC(C)[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000444357379 868784919 /nfs/dbraw/zinc/78/49/19/868784919.db2.gz HGCAPEZJTFFKLC-MRXNPFEDSA-N -1 1 422.497 4.274 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccnc1C(F)(F)F ZINC000444362161 868787807 /nfs/dbraw/zinc/78/78/07/868787807.db2.gz JENQOFUBRJGVEE-UHFFFAOYSA-N -1 1 407.392 4.121 20 0 HIADMM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444377708 868801270 /nfs/dbraw/zinc/80/12/70/868801270.db2.gz XSCBIDJWVBZVJL-UHFFFAOYSA-N -1 1 423.469 4.192 20 0 HIADMM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000444401822 868812567 /nfs/dbraw/zinc/81/25/67/868812567.db2.gz ANHVYZHKAUURKG-APPDUMDISA-N -1 1 410.695 4.410 20 0 HIADMM COc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000444456006 868835203 /nfs/dbraw/zinc/83/52/03/868835203.db2.gz BRXJLUKEICFWNL-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000444461179 868836931 /nfs/dbraw/zinc/83/69/31/868836931.db2.gz PQHRFKYJTHEMDG-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2occc2CN2c3ccccc3C[C@H]2C)s1 ZINC000444462945 868838913 /nfs/dbraw/zinc/83/89/13/868838913.db2.gz HKGKKOWICJTYJJ-GFCCVEGCSA-N -1 1 420.498 4.033 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444510122 868863138 /nfs/dbraw/zinc/86/31/38/868863138.db2.gz GVIPYUNWXNFTOS-FQEVSTJZSA-N -1 1 406.507 4.241 20 0 HIADMM CCO[C@H](Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1)C1=CCCC1 ZINC000445388497 869474676 /nfs/dbraw/zinc/47/46/76/869474676.db2.gz CPJGBVVIQDGDKV-CQSZACIVSA-N -1 1 409.280 4.271 20 0 HIADMM COc1cc(-c2noc([C@@H]3CCCN3c3nccs3)n2)cc(Br)c1[O-] ZINC000445391969 869477283 /nfs/dbraw/zinc/47/72/83/869477283.db2.gz MHAHVRWXLZGCSE-NSHDSACASA-N -1 1 423.292 4.011 20 0 HIADMM COc1cc(-c2noc(C[C@H]3C[C@@H](C(C)=O)C3(C)C)n2)cc(Br)c1[O-] ZINC000445393235 869478489 /nfs/dbraw/zinc/47/84/89/869478489.db2.gz PKJJQPVMTKVTFA-NEPJUHHUSA-N -1 1 409.280 4.007 20 0 HIADMM COc1cc(-c2noc([C@H](C)COc3ccccc3)n2)cc(Br)c1[O-] ZINC000445395181 869480272 /nfs/dbraw/zinc/48/02/72/869480272.db2.gz WJABZEAXHYHWKO-LLVKDONJSA-N -1 1 405.248 4.396 20 0 HIADMM COc1cc(-c2noc(Cc3ccc(O)cc3Cl)n2)cc(Br)c1[O-] ZINC000445396464 869481250 /nfs/dbraw/zinc/48/12/50/869481250.db2.gz XDQWCSBWBBLUEQ-UHFFFAOYSA-N -1 1 411.639 4.163 20 0 HIADMM COc1cc(-c2noc(CCn3ccc4ccccc43)n2)cc(Br)c1[O-] ZINC000445397842 869482781 /nfs/dbraw/zinc/48/27/81/869482781.db2.gz MSGZAXPXZKMCQK-UHFFFAOYSA-N -1 1 414.259 4.411 20 0 HIADMM COc1cc(-c2noc(CSC[C@H]3CCCCO3)n2)cc(Br)c1[O-] ZINC000445396645 869483125 /nfs/dbraw/zinc/48/31/25/869483125.db2.gz XWDVQBGIRMRJMI-LLVKDONJSA-N -1 1 415.309 4.016 20 0 HIADMM COc1cc(-c2noc(C3C[C@H]4CCC[C@@H](C3)C4=O)n2)cc(Br)c1[O-] ZINC000445398616 869484580 /nfs/dbraw/zinc/48/45/80/869484580.db2.gz WTOVLFGYWOIEMU-DHHPTOIESA-N -1 1 407.264 4.076 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(-n4nc(C)cc4C)nc3)n2)cc(Cl)c1[O-] ZINC000445411884 869494556 /nfs/dbraw/zinc/49/45/56/869494556.db2.gz LHOXBHVQPVZGRS-UHFFFAOYSA-N -1 1 411.849 4.359 20 0 HIADMM CCOc1cc(-c2noc(C(C)(C)NC(=O)c3ccccc3)n2)cc(Cl)c1[O-] ZINC000445411976 869495893 /nfs/dbraw/zinc/49/58/93/869495893.db2.gz MUHJXJBWZLGPMH-UHFFFAOYSA-N -1 1 401.850 4.159 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc(NC(=O)NC4CC4)c3)n2)cc(Cl)c1[O-] ZINC000445422876 869506695 /nfs/dbraw/zinc/50/66/95/869506695.db2.gz RUVGUPMFMBECEA-UHFFFAOYSA-N -1 1 414.849 4.445 20 0 HIADMM CCOc1cc(-c2noc(Cc3cccc(F)c3F)n2)cc(Br)c1[O-] ZINC000445430702 869514156 /nfs/dbraw/zinc/51/41/56/869514156.db2.gz JPDIZROBSYRLBZ-UHFFFAOYSA-N -1 1 411.202 4.472 20 0 HIADMM CCOc1cc(-c2noc(Cc3c(F)cccc3F)n2)cc(Br)c1[O-] ZINC000445430021 869514443 /nfs/dbraw/zinc/51/44/43/869514443.db2.gz HIFKKBXEBSSGSR-UHFFFAOYSA-N -1 1 411.202 4.472 20 0 HIADMM CCCNC(=O)c1cccc(-c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)c1 ZINC000445432969 869517739 /nfs/dbraw/zinc/51/77/39/869517739.db2.gz VSSNXDMAJRJRSX-UHFFFAOYSA-N -1 1 401.850 4.301 20 0 HIADMM CSc1cccc(N2C[C@H](c3nc(-c4ccc([O-])cc4Cl)no3)CC2=O)c1 ZINC000445445223 869526603 /nfs/dbraw/zinc/52/66/03/869526603.db2.gz IMCCXZABENAKHZ-LLVKDONJSA-N -1 1 401.875 4.338 20 0 HIADMM COCc1nc2sc(-c3nc(-c4ccc([O-])cc4Cl)no3)c(C)c2c(OC)n1 ZINC000445446497 869527415 /nfs/dbraw/zinc/52/74/15/869527415.db2.gz DRGHRNMRYRKDLW-UHFFFAOYSA-N -1 1 418.862 4.231 20 0 HIADMM O=S(=O)(c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)s1)c1ccccc1 ZINC000445457897 869534509 /nfs/dbraw/zinc/53/45/09/869534509.db2.gz UUZDHGZBKXTHDV-UHFFFAOYSA-N -1 1 402.428 4.143 20 0 HIADMM COc1ccc(-c2nc(Cc3nc(-c4ccc([O-])cc4F)no3)cs2)cc1OC ZINC000445457753 869534605 /nfs/dbraw/zinc/53/46/05/869534605.db2.gz ZNVDLMDGIIDQMH-UHFFFAOYSA-N -1 1 413.430 4.313 20 0 HIADMM [O-]c1ccc(-c2noc(C3CCN(c4ccc5cccc(O)c5n4)CC3)n2)cc1F ZINC000445480792 869552629 /nfs/dbraw/zinc/55/26/29/869552629.db2.gz JQUAWZSCEPRJCB-UHFFFAOYSA-N -1 1 406.417 4.219 20 0 HIADMM Cc1c2ccccc2oc1-c1noc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000445504402 869569280 /nfs/dbraw/zinc/56/92/80/869569280.db2.gz NDCCKEWOFFPTHB-UHFFFAOYSA-N -1 1 401.444 4.128 20 0 HIADMM CSc1cccnc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000445609071 869672473 /nfs/dbraw/zinc/67/24/73/869672473.db2.gz FXZQEJKHLSUFGV-UHFFFAOYSA-N -1 1 424.507 4.321 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)c(=O)[n-]1 ZINC000468384778 882328621 /nfs/dbraw/zinc/32/86/21/882328621.db2.gz SJJUINQGMAMRKX-KRWDZBQOSA-N -1 1 409.502 4.327 20 0 HIADMM Cc1cccc(CNC(=O)Cc2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)c1 ZINC000445711332 869772990 /nfs/dbraw/zinc/77/29/90/869772990.db2.gz GLWVHRMZUAPUTN-UHFFFAOYSA-N -1 1 415.449 4.402 20 0 HIADMM CCSc1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)cc1 ZINC000445749760 869799130 /nfs/dbraw/zinc/79/91/30/869799130.db2.gz HTYWOUVMSXYJSS-UHFFFAOYSA-N -1 1 407.517 4.185 20 0 HIADMM CCSCCCc1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000445758568 869804487 /nfs/dbraw/zinc/80/44/87/869804487.db2.gz JRJBGXCMTSRJFY-UHFFFAOYSA-N -1 1 421.519 4.362 20 0 HIADMM CC(C)C(C)(C)CNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000445859530 869861620 /nfs/dbraw/zinc/86/16/20/869861620.db2.gz OJSCNCIQCPZUAY-UHFFFAOYSA-N -1 1 417.575 4.311 20 0 HIADMM CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000446630460 870535154 /nfs/dbraw/zinc/53/51/54/870535154.db2.gz FZVZZAXIQRCUES-UHFFFAOYSA-N -1 1 424.544 4.139 20 0 HIADMM O=c1nc(-c2ccc3c(c2)CCO3)[n-]c2cc(-c3ccc4c(c3)OCCO4)sc21 ZINC000446995660 870882470 /nfs/dbraw/zinc/88/24/70/870882470.db2.gz YZAGYFCAHZJLID-UHFFFAOYSA-N -1 1 404.447 4.025 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(Cl)cc1 ZINC000447265890 871147246 /nfs/dbraw/zinc/14/72/46/871147246.db2.gz UBVNUOWKBKHYOF-UHFFFAOYSA-N -1 1 403.769 4.210 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)c1 ZINC000447267503 871152137 /nfs/dbraw/zinc/15/21/37/871152137.db2.gz OOKDIDKZFLHFJP-UHFFFAOYSA-N -1 1 407.398 4.068 20 0 HIADMM O=C(Nc1ccc2cc[nH]c2c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000447647272 871568412 /nfs/dbraw/zinc/56/84/12/871568412.db2.gz ZLERZBVENSQDDK-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@@H](CC)c3ccc(C)cc3)c2)n1 ZINC000447677891 871609046 /nfs/dbraw/zinc/60/90/46/871609046.db2.gz IAETUAWFRIUPFW-GOSISDBHSA-N -1 1 420.513 4.157 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc(OC)c1C(C)C ZINC000447778388 871708626 /nfs/dbraw/zinc/70/86/26/871708626.db2.gz PSGKQMDWIDPSGE-UHFFFAOYSA-N -1 1 419.421 4.369 20 0 HIADMM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447790748 871724414 /nfs/dbraw/zinc/72/44/14/871724414.db2.gz ZDOOKPPDOFSZLH-UHFFFAOYSA-N -1 1 405.369 4.298 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447790348 871724771 /nfs/dbraw/zinc/72/47/71/871724771.db2.gz ACTXUJFZPVXDSE-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447793051 871730007 /nfs/dbraw/zinc/73/00/07/871730007.db2.gz CPXWINMVKYOQBN-UHFFFAOYSA-N -1 1 418.412 4.174 20 0 HIADMM CCCCn1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000448425335 872377300 /nfs/dbraw/zinc/37/73/00/872377300.db2.gz JUHFGHZXWATVQG-UHFFFAOYSA-N -1 1 412.515 4.045 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000448434315 872381018 /nfs/dbraw/zinc/38/10/18/872381018.db2.gz POGPPZLSDVZXRN-UHFFFAOYSA-N -1 1 419.407 4.245 20 0 HIADMM COc1ccccc1[C@H](C)NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000460432823 873097792 /nfs/dbraw/zinc/09/77/92/873097792.db2.gz WINDQNFPPLGPAP-HNNXBMFYSA-N -1 1 409.511 4.136 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccc(F)cn4)no3)cc2)cc1C ZINC000460635395 873375599 /nfs/dbraw/zinc/37/55/99/873375599.db2.gz LBNJETPWPIVFGJ-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccc(F)cn4)no3)cc2)cc1C ZINC000460640764 873381755 /nfs/dbraw/zinc/38/17/55/873381755.db2.gz BTHLNFSKLICBSC-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM COc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000460769210 873615494 /nfs/dbraw/zinc/61/54/94/873615494.db2.gz HCPXVUOGNHDTBO-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COC1(c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)n2)CCCC1 ZINC000460811420 873691027 /nfs/dbraw/zinc/69/10/27/873691027.db2.gz ADOMFSVRCFUECU-UHFFFAOYSA-N -1 1 413.499 4.262 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1OCC ZINC000460821673 873704006 /nfs/dbraw/zinc/70/40/06/873704006.db2.gz BFDUFKLMWYNFGC-UHFFFAOYSA-N -1 1 418.284 4.186 20 0 HIADMM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)[C@H]1C1CC1 ZINC000460964560 873861739 /nfs/dbraw/zinc/86/17/39/873861739.db2.gz PKYLZVGLBCBSQJ-IBGZPJMESA-N -1 1 418.946 4.401 20 0 HIADMM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)[C@@H]1C1CC1 ZINC000460968432 873864594 /nfs/dbraw/zinc/86/45/94/873864594.db2.gz OHNBBAGLRXDJBI-LJQANCHMSA-N -1 1 418.946 4.401 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460970375 873865730 /nfs/dbraw/zinc/86/57/30/873865730.db2.gz QCJNQVIKWIRHFI-HXUWFJFHSA-N -1 1 414.502 4.031 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)cc2)ccc1F ZINC000460976421 873869971 /nfs/dbraw/zinc/86/99/71/873869971.db2.gz JBVSKGRXEMMRSK-FQEVSTJZSA-N -1 1 416.518 4.196 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000461043467 873906828 /nfs/dbraw/zinc/90/68/28/873906828.db2.gz OFJGFJXNXXEHRL-NRFANRHFSA-N -1 1 414.509 4.085 20 0 HIADMM O=S(=O)([N-]c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(C(F)(F)F)s1 ZINC000461115457 874039633 /nfs/dbraw/zinc/03/96/33/874039633.db2.gz GGUPEHKDCCEPRD-UHFFFAOYSA-N -1 1 415.340 4.463 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC2(C1)CCCCC2 ZINC000461156034 874109404 /nfs/dbraw/zinc/10/94/04/874109404.db2.gz WTMSXJXUQBEERC-UHFFFAOYSA-N -1 1 416.518 4.423 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000461189758 874183365 /nfs/dbraw/zinc/18/33/65/874183365.db2.gz IIXGQDRHEYBOFK-MRXNPFEDSA-N -1 1 418.559 4.038 20 0 HIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2)c1C ZINC000461212607 874213721 /nfs/dbraw/zinc/21/37/21/874213721.db2.gz ZTVBSDDSYBMRDN-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM COCCCCc1cccnc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000461227125 874229614 /nfs/dbraw/zinc/22/96/14/874229614.db2.gz PJXIAGXCDOCTGU-UHFFFAOYSA-N -1 1 403.331 4.299 20 0 HIADMM CC(C)c1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)s1 ZINC000461272476 874281997 /nfs/dbraw/zinc/28/19/97/874281997.db2.gz XYPRORCWFQWLGW-UHFFFAOYSA-N -1 1 419.503 4.459 20 0 HIADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)cc2nn1C ZINC000461333746 874345138 /nfs/dbraw/zinc/34/51/38/874345138.db2.gz RKDDTQFZLUWWRL-UHFFFAOYSA-N -1 1 407.495 4.262 20 0 HIADMM Cc1ccc(CC[C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1 ZINC000461397949 874408633 /nfs/dbraw/zinc/40/86/33/874408633.db2.gz XLRGNKRYKJBDOG-INIZCTEOSA-N -1 1 412.511 4.140 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C(C)C)CC2)cc1 ZINC000461426297 874460850 /nfs/dbraw/zinc/46/08/50/874460850.db2.gz WDAIETMVOYHBMR-UHFFFAOYSA-N -1 1 418.534 4.443 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000461479583 874538035 /nfs/dbraw/zinc/53/80/35/874538035.db2.gz CDHWXPOSNGTJEO-VBKZILBWSA-N -1 1 420.481 4.170 20 0 HIADMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)cc1 ZINC000462106748 875213191 /nfs/dbraw/zinc/21/31/91/875213191.db2.gz ZAJGZMMUSIZGKR-AREMUKBSSA-N -1 1 407.557 4.184 20 0 HIADMM C=Cc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000462379215 875490937 /nfs/dbraw/zinc/49/09/37/875490937.db2.gz RHNGOVNTGZTDLP-UHFFFAOYSA-N -1 1 406.507 4.103 20 0 HIADMM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000462383436 875496455 /nfs/dbraw/zinc/49/64/55/875496455.db2.gz JNUMQUIQKOLHNS-UHFFFAOYSA-N -1 1 414.914 4.495 20 0 HIADMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(Cl)c1 ZINC000462669593 875768915 /nfs/dbraw/zinc/76/89/15/875768915.db2.gz SUOBRJXCKUCHJB-SNVBAGLBSA-N -1 1 400.736 4.374 20 0 HIADMM O=S(=O)([N-]Cc1ccc(C(F)F)cc1)c1cc(Br)c(F)cc1F ZINC000462683609 875777073 /nfs/dbraw/zinc/77/70/73/875777073.db2.gz RWFPAYWRFYFPKU-UHFFFAOYSA-N -1 1 412.202 4.143 20 0 HIADMM COc1cc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)ccc1OCCC(C)C ZINC000462785780 875838495 /nfs/dbraw/zinc/83/84/95/875838495.db2.gz RVIPLRRHWZVQQO-UHFFFAOYSA-N -1 1 422.529 4.907 20 0 HIADMM CCN(CC(C)(C)C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000463015546 876032477 /nfs/dbraw/zinc/03/24/77/876032477.db2.gz UUDYGYLIGLLKIS-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM CCC(CC)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000468979848 883046025 /nfs/dbraw/zinc/04/60/25/883046025.db2.gz NISWWOVBYSWCQR-UHFFFAOYSA-N -1 1 420.531 4.269 20 0 HIADMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000463525883 876597351 /nfs/dbraw/zinc/59/73/51/876597351.db2.gz XBZZZFLLZUNCRU-UHFFFAOYSA-N -1 1 408.936 4.141 20 0 HIADMM CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000463786272 876904300 /nfs/dbraw/zinc/90/43/00/876904300.db2.gz YLYPNDYXBGIDEH-ZDUSSCGKSA-N -1 1 401.406 4.160 20 0 HIADMM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(SC)c(Cl)c3)ccc21 ZINC000463796098 876914609 /nfs/dbraw/zinc/91/46/09/876914609.db2.gz YKYXLDAQBBEIOG-UHFFFAOYSA-N -1 1 410.948 4.162 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2Br)ccc1OC(C)C ZINC000463799880 876918042 /nfs/dbraw/zinc/91/80/42/876918042.db2.gz NMHKXMAGTYYTMY-UHFFFAOYSA-N -1 1 414.321 4.354 20 0 HIADMM CC[C@H](C)C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000463904693 877026284 /nfs/dbraw/zinc/02/62/84/877026284.db2.gz FAYQQPQPKZGHJK-KBPBESRZSA-N -1 1 410.486 4.320 20 0 HIADMM CCc1cnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1 ZINC000464088228 877241472 /nfs/dbraw/zinc/24/14/72/877241472.db2.gz PYAUCHHKQXTHRS-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM CCc1cnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000464107199 877264758 /nfs/dbraw/zinc/26/47/58/877264758.db2.gz CROCDGQBZDUXLJ-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CC(F)(F)F)cc2)cc1C ZINC000464267037 877449335 /nfs/dbraw/zinc/44/93/35/877449335.db2.gz JKUDZXCFAXABDN-AWEZNQCLSA-N -1 1 414.449 4.175 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)CC(F)(F)F)cc1 ZINC000464276031 877462794 /nfs/dbraw/zinc/46/27/94/877462794.db2.gz OJKCLTMBPZZYRU-LBPRGKRZSA-N -1 1 418.412 4.006 20 0 HIADMM CCC(CC)[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000464307053 877497280 /nfs/dbraw/zinc/49/72/80/877497280.db2.gz MRBKSVFVQAXESQ-QFIPXVFZSA-N -1 1 404.514 4.389 20 0 HIADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000464533076 877748994 /nfs/dbraw/zinc/74/89/94/877748994.db2.gz QQRCOEYJZLFYQV-UWJYYQICSA-N -1 1 416.543 4.411 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000464556777 877772499 /nfs/dbraw/zinc/77/24/99/877772499.db2.gz WUGQDSXXFDTGKF-JTSKRJEESA-N -1 1 406.507 4.321 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000464556778 877774742 /nfs/dbraw/zinc/77/47/42/877774742.db2.gz WUGQDSXXFDTGKF-VGOFRKELSA-N -1 1 406.507 4.321 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC000464599235 877825895 /nfs/dbraw/zinc/82/58/95/877825895.db2.gz BDMMTIVCUQECQR-JOCHJYFZSA-N -1 1 400.544 4.448 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)C1 ZINC000464599469 877826994 /nfs/dbraw/zinc/82/69/94/877826994.db2.gz BMPNNEBCRHSTMF-JOCHJYFZSA-N -1 1 416.543 4.148 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000464708257 877930715 /nfs/dbraw/zinc/93/07/15/877930715.db2.gz RHFMRTOGPAZEQY-KRWDZBQOSA-N -1 1 420.600 4.366 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000464713972 877941112 /nfs/dbraw/zinc/94/11/12/877941112.db2.gz RTKUZQPJXOBAFC-INIZCTEOSA-N -1 1 406.573 4.057 20 0 HIADMM CCSc1cccc(Br)c1[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000464715658 877943068 /nfs/dbraw/zinc/94/30/68/877943068.db2.gz YDJGYUTXDVNQQX-UHFFFAOYSA-N -1 1 403.305 4.394 20 0 HIADMM CCO[C@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1=CCCC1 ZINC000465055252 878417504 /nfs/dbraw/zinc/41/75/04/878417504.db2.gz KXWPHDAVTYCNCU-OAQYLSRUSA-N -1 1 414.527 4.331 20 0 HIADMM CCCn1ccc2ccc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)cc21 ZINC000465155561 878535332 /nfs/dbraw/zinc/53/53/32/878535332.db2.gz LUOUNNYOBHQJMM-UHFFFAOYSA-N -1 1 415.497 4.489 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000465296904 878738943 /nfs/dbraw/zinc/73/89/43/878738943.db2.gz HOXBSNRIGIWWMR-HNAYVOBHSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000465296170 878739052 /nfs/dbraw/zinc/73/90/52/878739052.db2.gz ROQGZUOCJBENRJ-OXQOHEQNSA-N -1 1 400.544 4.365 20 0 HIADMM CC(C)C[C@@H]1CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000465837271 879474143 /nfs/dbraw/zinc/47/41/43/879474143.db2.gz ODKALFZCZHFSMF-SFHVURJKSA-N -1 1 415.559 4.065 20 0 HIADMM COc1cc(NC(=O)N[C@H](C)c2ccc3ccccc3c2)ccc1[N-]S(C)(=O)=O ZINC000503463216 912493834 /nfs/dbraw/zinc/49/38/34/912493834.db2.gz OPCZBTVLUFLCIV-CQSZACIVSA-N -1 1 413.499 4.103 20 0 HIADMM CC1(C)CCCC[C@H]1NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000466246025 879959908 /nfs/dbraw/zinc/95/99/08/879959908.db2.gz IOURIBUOZAIYBN-HXUWFJFHSA-N -1 1 415.559 4.255 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1nc(C(F)(F)F)cs1 ZINC000466862264 880629768 /nfs/dbraw/zinc/62/97/68/880629768.db2.gz BAKQNTRKXOVZJB-QMMMGPOBSA-N -1 1 402.822 4.384 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1nc(C(F)(F)F)cs1 ZINC000466862263 880630028 /nfs/dbraw/zinc/63/00/28/880630028.db2.gz BAKQNTRKXOVZJB-MRVPVSSYSA-N -1 1 402.822 4.384 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000466874104 880642505 /nfs/dbraw/zinc/64/25/05/880642505.db2.gz UYOXDMHZWDTCTK-VIFPVBQESA-N -1 1 404.357 4.009 20 0 HIADMM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(-c4cccs4)c3)ccc21 ZINC000466963763 880755063 /nfs/dbraw/zinc/75/50/63/880755063.db2.gz LRCRVSRQYDCRRR-UHFFFAOYSA-N -1 1 400.481 4.144 20 0 HIADMM COC(=O)c1sc2[nH]c(C[N@@H+](C3CC3)[C@@H]3CCCc4ccccc43)nc(=O)c2c1C ZINC000503546489 912610533 /nfs/dbraw/zinc/61/05/33/912610533.db2.gz JVKBESFMXKWWFW-QGZVFWFLSA-N -1 1 423.538 4.122 20 0 HIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1 ZINC000467074820 880851334 /nfs/dbraw/zinc/85/13/34/880851334.db2.gz MUBNPFMGTUMAPR-UHFFFAOYSA-N -1 1 417.922 4.117 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)cc1 ZINC000467082893 880853484 /nfs/dbraw/zinc/85/34/84/880853484.db2.gz RXXVRAFQLDGKFR-UHFFFAOYSA-N -1 1 405.516 4.160 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)cc1F ZINC000467083267 880853756 /nfs/dbraw/zinc/85/37/56/880853756.db2.gz WTWDMTMLQLGEHY-UHFFFAOYSA-N -1 1 411.458 4.189 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)cc1Cl ZINC000467087104 880854870 /nfs/dbraw/zinc/85/48/70/880854870.db2.gz WHZXOOBINIMDPI-UHFFFAOYSA-N -1 1 411.907 4.034 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)ccc1C ZINC000467092428 880857375 /nfs/dbraw/zinc/85/73/75/880857375.db2.gz SYUYMNRCDONTCR-UHFFFAOYSA-N -1 1 412.467 4.115 20 0 HIADMM Cc1ccccc1C[C@H](C)NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467209611 880939606 /nfs/dbraw/zinc/93/96/06/880939606.db2.gz XWNZUWQPHOIICM-INIZCTEOSA-N -1 1 407.539 4.306 20 0 HIADMM CCC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC000467273256 881013846 /nfs/dbraw/zinc/01/38/46/881013846.db2.gz NTMZXGFXYMQYEO-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1c(F)cccc1NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000467359219 881122918 /nfs/dbraw/zinc/12/29/18/881122918.db2.gz QXSWAWDGDOUPDW-UHFFFAOYSA-N -1 1 413.474 4.257 20 0 HIADMM O=C(N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000467400493 881183634 /nfs/dbraw/zinc/18/36/34/881183634.db2.gz KTDWPWSOPWOEMK-LJQANCHMSA-N -1 1 407.832 4.235 20 0 HIADMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1)C(F)(F)F ZINC000469928383 884121219 /nfs/dbraw/zinc/12/12/19/884121219.db2.gz OYVCIBVBHCAKEO-KRWDZBQOSA-N -1 1 414.449 4.175 20 0 HIADMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C(F)(F)F ZINC000469927370 884121558 /nfs/dbraw/zinc/12/15/58/884121558.db2.gz MSGGIJBUWSYCOM-HNNXBMFYSA-N -1 1 420.840 4.212 20 0 HIADMM CCOc1ccccc1[C@H](CC(C)C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000470241836 884571698 /nfs/dbraw/zinc/57/16/98/884571698.db2.gz CQXXCHIHGPYZIY-FQEVSTJZSA-N -1 1 424.545 4.287 20 0 HIADMM C[C@H](CCC1CC1)NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000470298299 884672028 /nfs/dbraw/zinc/67/20/28/884672028.db2.gz POSXJHACAVBMMC-OAHLLOKOSA-N -1 1 419.522 4.004 20 0 HIADMM CCCOc1c(Cl)cc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)cc1OC ZINC000470300441 884675043 /nfs/dbraw/zinc/67/50/43/884675043.db2.gz ZZMYVFQFZHXQRI-WQLSENKSSA-N -1 1 406.866 4.370 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000470450434 884845974 /nfs/dbraw/zinc/84/59/74/884845974.db2.gz ZWLYXOQSBZPIRR-IBGZPJMESA-N -1 1 415.515 4.258 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000470725050 885173804 /nfs/dbraw/zinc/17/38/04/885173804.db2.gz AMWJDCOBXQZWIP-VIFPVBQESA-N -1 1 416.330 4.059 20 0 HIADMM C[C@H](N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1(C)CC1 ZINC000470848554 885346308 /nfs/dbraw/zinc/34/63/08/885346308.db2.gz MVYWQWRTGCRRRJ-ZDUSSCGKSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1nc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)s1 ZINC000470858321 885351913 /nfs/dbraw/zinc/35/19/13/885351913.db2.gz KCMWHPOWSYYOJB-UHFFFAOYSA-N -1 1 423.466 4.091 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)c(Cl)cc1F ZINC000471137796 885679748 /nfs/dbraw/zinc/67/97/48/885679748.db2.gz SMXIYICOFSQZAB-UHFFFAOYSA-N -1 1 407.854 4.479 20 0 HIADMM CCO[C@@H](CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000471231453 885805162 /nfs/dbraw/zinc/80/51/62/885805162.db2.gz HXAXQYBMLOTGFT-IBGZPJMESA-N -1 1 408.495 4.016 20 0 HIADMM Cc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2o1 ZINC000471643805 886359397 /nfs/dbraw/zinc/35/93/97/886359397.db2.gz SMBURINUWPEEII-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CC3(C)C)cc2)cc1 ZINC000471713983 886424569 /nfs/dbraw/zinc/42/45/69/886424569.db2.gz HYYZDXUSISCGHP-INIZCTEOSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(F)cc3Cl)n2)ccc1F ZINC000471868953 886646885 /nfs/dbraw/zinc/64/68/85/886646885.db2.gz FFEGIHYAIWIVEJ-JTQLQIEISA-N -1 1 413.833 4.016 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 ZINC000471996674 886822333 /nfs/dbraw/zinc/82/23/33/886822333.db2.gz BIWVSAJLJYNLKC-UHFFFAOYSA-N -1 1 418.559 4.274 20 0 HIADMM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000472061200 886870233 /nfs/dbraw/zinc/87/02/33/886870233.db2.gz BVNZPITUAOARBK-JOCHJYFZSA-N -1 1 423.538 4.193 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC[C@@H]1Cc1ccccc1 ZINC000472167183 886966747 /nfs/dbraw/zinc/96/67/47/886966747.db2.gz CBFBLESZWBNCSN-OAQYLSRUSA-N -1 1 424.497 4.084 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)o1 ZINC000472226469 887031879 /nfs/dbraw/zinc/03/18/79/887031879.db2.gz ZBLODAQOFPINRX-UHFFFAOYSA-N -1 1 422.915 4.245 20 0 HIADMM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472575401 887459931 /nfs/dbraw/zinc/45/99/31/887459931.db2.gz WWVFJOJMPQFJSZ-VIFPVBQESA-N -1 1 424.147 4.060 20 0 HIADMM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)CO2 ZINC000472719597 887567610 /nfs/dbraw/zinc/56/76/10/887567610.db2.gz BCBNHWZKSHMHTO-NRFANRHFSA-N -1 1 422.506 4.219 20 0 HIADMM CN(Cc1ncc(Cl)s1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000473144125 887928573 /nfs/dbraw/zinc/92/85/73/887928573.db2.gz ZPMKDQWXVTURMM-UHFFFAOYSA-N -1 1 407.948 4.229 20 0 HIADMM CCCc1csc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000504366392 913196514 /nfs/dbraw/zinc/19/65/14/913196514.db2.gz VJVZZPLWNNENSM-UHFFFAOYSA-N -1 1 419.503 4.288 20 0 HIADMM CCOC(=O)c1cnc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)c(Cl)c1 ZINC000473419660 888139392 /nfs/dbraw/zinc/13/93/92/888139392.db2.gz GLDNRIVVEWQZMP-UHFFFAOYSA-N -1 1 420.853 4.130 20 0 HIADMM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1ccc(Cl)c(F)c1Cl ZINC000473860998 888713410 /nfs/dbraw/zinc/71/34/10/888713410.db2.gz ANWOGXLYZZLCQF-UHFFFAOYSA-N -1 1 423.240 4.129 20 0 HIADMM O=S(=O)([N-]Cc1csc(-c2ccco2)n1)c1ccc(Cl)c(F)c1Cl ZINC000473866132 888721725 /nfs/dbraw/zinc/72/17/25/888721725.db2.gz ZCARIEVHNXYMQB-UHFFFAOYSA-N -1 1 407.275 4.328 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1noc(-c2ccccc2)n1 ZINC000473866181 888722331 /nfs/dbraw/zinc/72/23/31/888722331.db2.gz ZIUZAEGNKNLTHH-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCC3)cc1 ZINC000504496515 913286652 /nfs/dbraw/zinc/28/66/52/913286652.db2.gz NFUILJIEAVWHMZ-UHFFFAOYSA-N -1 1 422.432 4.019 20 0 HIADMM COc1ccc(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1[N-]S(C)(=O)=O ZINC000474016866 888871414 /nfs/dbraw/zinc/87/14/14/888871414.db2.gz JLZLJHJEHFBOEA-ZDUSSCGKSA-N -1 1 417.487 4.038 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCC3)cc1)c1ccccc1-c1ccccc1 ZINC000504524562 913305941 /nfs/dbraw/zinc/30/59/41/913305941.db2.gz PJCNMMWCVKGZSN-UHFFFAOYSA-N -1 1 416.506 4.359 20 0 HIADMM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000474295074 889159157 /nfs/dbraw/zinc/15/91/57/889159157.db2.gz BHNRNBMUFMSNJF-OAHLLOKOSA-N -1 1 416.953 4.006 20 0 HIADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000474407787 889274917 /nfs/dbraw/zinc/27/49/17/889274917.db2.gz CWPLBRQSOXOIGZ-VQIMIIECSA-N -1 1 402.516 4.021 20 0 HIADMM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474412465 889277844 /nfs/dbraw/zinc/27/78/44/889277844.db2.gz NBPAXUXPRIZEJV-UHFFFAOYSA-N -1 1 419.528 4.260 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)cc1Cl ZINC000474429123 889294290 /nfs/dbraw/zinc/29/42/90/889294290.db2.gz CGPJEUZAUXCNMO-UHFFFAOYSA-N -1 1 410.927 4.260 20 0 HIADMM C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000474535102 889408978 /nfs/dbraw/zinc/40/89/78/889408978.db2.gz IIOWXXPLBLQVAM-NVXWUHKLSA-N -1 1 404.507 4.069 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(C4CCOCC4)no3)c2)c1 ZINC000504614015 913368766 /nfs/dbraw/zinc/36/87/66/913368766.db2.gz LSAKFYRAOCIXOS-UHFFFAOYSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000474860541 889715683 /nfs/dbraw/zinc/71/56/83/889715683.db2.gz PBRGRTITEQTZBT-OAQYLSRUSA-N -1 1 422.506 4.049 20 0 HIADMM C[C@@H]1CCCCCN1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475340690 890261234 /nfs/dbraw/zinc/26/12/34/890261234.db2.gz XMFPOFBCSNQNHQ-MRXNPFEDSA-N -1 1 419.522 4.101 20 0 HIADMM COc1ccc(NC(=O)N(Cc2ccccc2)CC(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000475373768 890304353 /nfs/dbraw/zinc/30/43/53/890304353.db2.gz XQOSTPHZUUZYIJ-UHFFFAOYSA-N -1 1 419.547 4.147 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)c(Br)c1 ZINC000475789700 890730072 /nfs/dbraw/zinc/73/00/72/890730072.db2.gz JCNJOVIFWFTJDA-UHFFFAOYSA-N -1 1 421.110 4.021 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)cc1Cl ZINC000475816989 890751784 /nfs/dbraw/zinc/75/17/84/890751784.db2.gz VXBBFNFRZCLSSU-UHFFFAOYSA-N -1 1 412.792 4.263 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)ccc2C)ccc1F ZINC000475827279 890761145 /nfs/dbraw/zinc/76/11/45/890761145.db2.gz IKAJFLHSECMXGV-UHFFFAOYSA-N -1 1 402.447 4.462 20 0 HIADMM Cc1nc(CC(C)C)oc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000476059218 890988972 /nfs/dbraw/zinc/98/89/72/890988972.db2.gz AZTZMEKANPZBCV-UHFFFAOYSA-N -1 1 413.499 4.235 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](c4ccccc4)C3)cc2)cc1 ZINC000476146496 891069698 /nfs/dbraw/zinc/06/96/98/891069698.db2.gz KHDAVCXCHYJWTK-NRFANRHFSA-N -1 1 420.534 4.426 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000476291976 891206714 /nfs/dbraw/zinc/20/67/14/891206714.db2.gz XNFREHHFBDYIEL-UHFFFAOYSA-N -1 1 414.449 4.297 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000476402288 891318853 /nfs/dbraw/zinc/31/88/53/891318853.db2.gz ROAKZFZIUIIBIT-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000476434152 891345944 /nfs/dbraw/zinc/34/59/44/891345944.db2.gz WDFDCRYNEFNDJE-UHFFFAOYSA-N -1 1 405.516 4.272 20 0 HIADMM CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])C2 ZINC000476489107 891398693 /nfs/dbraw/zinc/39/86/93/891398693.db2.gz ZTDOWXKKCQMVKX-SECBINFHSA-N -1 1 412.715 4.398 20 0 HIADMM CCOc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)ccc1OC ZINC000476510944 891425353 /nfs/dbraw/zinc/42/53/53/891425353.db2.gz KXCUQKATSQPLRQ-UHFFFAOYSA-N -1 1 414.483 4.006 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccccc3NCC(F)(F)F)ccc21 ZINC000476517534 891431435 /nfs/dbraw/zinc/43/14/35/891431435.db2.gz WSILYCYEQBJAGX-UHFFFAOYSA-N -1 1 412.437 4.392 20 0 HIADMM CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])C2 ZINC000476527555 891439473 /nfs/dbraw/zinc/43/94/73/891439473.db2.gz UPNIISLIDOHOBZ-SECBINFHSA-N -1 1 412.715 4.398 20 0 HIADMM C[C@H]1CC(C)(C)c2ccccc2N1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000504860479 913590736 /nfs/dbraw/zinc/59/07/36/913590736.db2.gz YFWIZVOJIFTCMY-AWEZNQCLSA-N -1 1 404.532 4.073 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H](C)C3)cc2)cc1 ZINC000476846487 891820476 /nfs/dbraw/zinc/82/04/76/891820476.db2.gz KMPXRPFVFJYRAJ-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@@H]1CC12CCCCC2 ZINC000477017099 891944712 /nfs/dbraw/zinc/94/47/12/891944712.db2.gz FOTWJCUKFXMLIV-NRFANRHFSA-N -1 1 412.555 4.416 20 0 HIADMM Cc1ccc(C(=O)N2CCC23CCC3)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000477371009 892333156 /nfs/dbraw/zinc/33/31/56/892333156.db2.gz FPPVNJDZULLSHY-UHFFFAOYSA-N -1 1 404.919 4.218 20 0 HIADMM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000477422812 892374030 /nfs/dbraw/zinc/37/40/30/892374030.db2.gz VRSKVOULMXTSJQ-UHFFFAOYSA-N -1 1 411.321 4.079 20 0 HIADMM CC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000477620616 892722689 /nfs/dbraw/zinc/72/26/89/892722689.db2.gz HNKMXKHSBNXMSJ-UHFFFAOYSA-N -1 1 412.433 4.036 20 0 HIADMM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000504952991 913693428 /nfs/dbraw/zinc/69/34/28/913693428.db2.gz FGLYYWPMAPOXIT-FQEVSTJZSA-N -1 1 420.534 4.426 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@@H]1CC12CCCCC2 ZINC000477780118 892862595 /nfs/dbraw/zinc/86/25/95/892862595.db2.gz NTMQQAHMGXFJGJ-FQEVSTJZSA-N -1 1 416.518 4.213 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3cnccc3C)ccc2C)cc1 ZINC000477928358 893015609 /nfs/dbraw/zinc/01/56/09/893015609.db2.gz NQKIXPBGVBOLAE-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(-c2nc(-c3ccncc3)no2)cc1 ZINC000504986013 913730292 /nfs/dbraw/zinc/73/02/92/913730292.db2.gz KKTSNFQJJPTKBX-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM CCCCS[C@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000478057883 893216264 /nfs/dbraw/zinc/21/62/64/893216264.db2.gz ACYQCCQPPHFILI-CQSZACIVSA-N -1 1 410.536 4.487 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCC(C)(C)C2)cc1 ZINC000478183910 893347203 /nfs/dbraw/zinc/34/72/03/893347203.db2.gz QCQYVSFRWLFNBU-SFHVURJKSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000478281409 893485130 /nfs/dbraw/zinc/48/51/30/893485130.db2.gz FZTMPJJVVKFNJK-IFXJQAMLSA-N -1 1 418.497 4.003 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C(C)(C)C)no3)c2)cc1 ZINC000505051956 913792480 /nfs/dbraw/zinc/79/24/80/913792480.db2.gz XCVVIYNPFZBRTC-UHFFFAOYSA-N -1 1 401.488 4.234 20 0 HIADMM CCCCCOCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000478486978 893807959 /nfs/dbraw/zinc/80/79/59/893807959.db2.gz OMGQJJMWLZUZOH-UHFFFAOYSA-N -1 1 410.923 4.286 20 0 HIADMM Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000478528604 893832942 /nfs/dbraw/zinc/83/29/42/893832942.db2.gz KCYUZJSMFIEHIQ-KRWDZBQOSA-N -1 1 410.495 4.202 20 0 HIADMM CCOc1cc(C(=O)NCCc2cccc(OCC(F)(F)F)c2)cc(Cl)c1[O-] ZINC000478532469 893834705 /nfs/dbraw/zinc/83/47/05/893834705.db2.gz WPVAIYFEDKXOLF-UHFFFAOYSA-N -1 1 417.811 4.358 20 0 HIADMM CC[C@@H](C(=O)[O-])N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000478534238 893835364 /nfs/dbraw/zinc/83/53/64/893835364.db2.gz JNTCGUIRTMLDBJ-KRWDZBQOSA-N -1 1 423.376 4.158 20 0 HIADMM C[C@@H](CN(C)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nn[n-]n1 ZINC000478575935 893856318 /nfs/dbraw/zinc/85/63/18/893856318.db2.gz MQJHSLWDWWWDBN-ZDUSSCGKSA-N -1 1 401.923 4.021 20 0 HIADMM C[C@H](CN(C)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)c1nn[n-]n1 ZINC000478580086 893858867 /nfs/dbraw/zinc/85/88/67/893858867.db2.gz KTKJWKOQXKWUDE-LLVKDONJSA-N -1 1 406.273 4.175 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N(CC1CC1)CC1CCC1 ZINC000478629148 893884658 /nfs/dbraw/zinc/88/46/58/893884658.db2.gz GBASXFKVCMMTFS-UHFFFAOYSA-N -1 1 416.518 4.279 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1C(N)=O ZINC000478692351 893950218 /nfs/dbraw/zinc/95/02/18/893950218.db2.gz ARNRVNWREKRBNM-UHFFFAOYSA-N -1 1 410.495 4.041 20 0 HIADMM CCOc1ccc([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)cc1OCC ZINC000478989677 894264198 /nfs/dbraw/zinc/26/41/98/894264198.db2.gz ZZKKWBOSKYFCJN-LBPRGKRZSA-N -1 1 408.292 4.443 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(C(F)(F)F)cn1 ZINC000479040196 894301027 /nfs/dbraw/zinc/30/10/27/894301027.db2.gz LLFOILQUPWTLAA-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc2c(cccc2F)[nH]1 ZINC000479076098 894342415 /nfs/dbraw/zinc/34/24/15/894342415.db2.gz DVWQZGGKIOABBA-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)n1C1CC1 ZINC000479120454 894389598 /nfs/dbraw/zinc/38/95/98/894389598.db2.gz TZTOFBPPXDMHJX-UHFFFAOYSA-N -1 1 409.511 4.493 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CC(F)F)ccc2C)cc1 ZINC000505180157 913866151 /nfs/dbraw/zinc/86/61/51/913866151.db2.gz QHACJHAQGIMNIL-UHFFFAOYSA-N -1 1 424.513 4.476 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)cc1Cl ZINC000479134490 894402460 /nfs/dbraw/zinc/40/24/60/894402460.db2.gz TXSLJWPTQMFLRF-OAHLLOKOSA-N -1 1 424.803 4.019 20 0 HIADMM O=C(CCOc1ccc(F)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000479146255 894415095 /nfs/dbraw/zinc/41/50/95/894415095.db2.gz YWFZZKUGCKKNTG-UHFFFAOYSA-N -1 1 414.458 4.034 20 0 HIADMM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000479200472 894464821 /nfs/dbraw/zinc/46/48/21/894464821.db2.gz SUOCUADCJRWYGU-UHFFFAOYSA-N -1 1 417.405 4.078 20 0 HIADMM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000479247517 894511081 /nfs/dbraw/zinc/51/10/81/894511081.db2.gz FNYOTIQHPOFGAQ-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC[C@H](C)C2)c1 ZINC000479260417 894528405 /nfs/dbraw/zinc/52/84/05/894528405.db2.gz RXILBEQCRFRGCY-INIZCTEOSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(CN(C)Cc3cscn3)c2)ccc1F ZINC000479287710 894568863 /nfs/dbraw/zinc/56/88/63/894568863.db2.gz PMDTWNGPFRFGSY-UHFFFAOYSA-N -1 1 405.520 4.023 20 0 HIADMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cnn(-c4ccccc4)c3)cc2s1 ZINC000479290726 894571251 /nfs/dbraw/zinc/57/12/51/894571251.db2.gz WYNWKLIFBXDBKQ-UHFFFAOYSA-N -1 1 404.904 4.245 20 0 HIADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000479298098 894581310 /nfs/dbraw/zinc/58/13/10/894581310.db2.gz UJXHQNLKOBUUTA-UHFFFAOYSA-N -1 1 416.933 4.215 20 0 HIADMM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000479307561 894594243 /nfs/dbraw/zinc/59/42/43/894594243.db2.gz NPLSNRORLATXSH-UHFFFAOYSA-N -1 1 408.401 4.491 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(CN(C)Cc3cscn3)c2)c(C)s1 ZINC000479310441 894597098 /nfs/dbraw/zinc/59/70/98/894597098.db2.gz QYECFRSMDTVIIX-UHFFFAOYSA-N -1 1 407.586 4.254 20 0 HIADMM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCO1 ZINC000479376759 894679163 /nfs/dbraw/zinc/67/91/63/894679163.db2.gz NCLNATIAWGEEOB-PSASIEDQSA-N -1 1 416.790 4.036 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](C)C(F)(F)F)cc2)c1C ZINC000479398543 894701750 /nfs/dbraw/zinc/70/17/50/894701750.db2.gz UNFMJOUWAYDLRI-CYBMUJFWSA-N -1 1 414.449 4.032 20 0 HIADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000479420677 894733375 /nfs/dbraw/zinc/73/33/75/894733375.db2.gz RGDUDKPKDHKKLK-MGPUTAFESA-N -1 1 404.507 4.196 20 0 HIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000479443924 894760792 /nfs/dbraw/zinc/76/07/92/894760792.db2.gz WLSGESXRNHFDMF-UHFFFAOYSA-N -1 1 402.850 4.466 20 0 HIADMM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479548218 894849114 /nfs/dbraw/zinc/84/91/14/894849114.db2.gz UDKXHJNAWSFLEF-UHFFFAOYSA-N -1 1 401.282 4.307 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000479566245 894861834 /nfs/dbraw/zinc/86/18/34/894861834.db2.gz MGDDMQVSCXUOLK-UHFFFAOYSA-N -1 1 404.919 4.138 20 0 HIADMM CC(C)n1nccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000479844600 895175007 /nfs/dbraw/zinc/17/50/07/895175007.db2.gz PPHMDCCDINRGQO-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000505286953 913946676 /nfs/dbraw/zinc/94/66/76/913946676.db2.gz GKGJOZQBWAMFCC-UHFFFAOYSA-N -1 1 423.796 4.089 20 0 HIADMM CC[C@H](C)CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000480176549 895569324 /nfs/dbraw/zinc/56/93/24/895569324.db2.gz FULHPDSRSUHRIY-INIZCTEOSA-N -1 1 404.532 4.004 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480178029 895569376 /nfs/dbraw/zinc/56/93/76/895569376.db2.gz HEOMFKUBZVHEGI-UHFFFAOYSA-N -1 1 412.433 4.249 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1C(=O)NC(C)C ZINC000480191998 895588531 /nfs/dbraw/zinc/58/85/31/895588531.db2.gz OVVUYMNBNPZWCN-UHFFFAOYSA-N -1 1 414.449 4.039 20 0 HIADMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000480222186 895626765 /nfs/dbraw/zinc/62/67/65/895626765.db2.gz HJSFPYQNEMTKJD-UHFFFAOYSA-N -1 1 415.433 4.043 20 0 HIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2)n1 ZINC000480230438 895635715 /nfs/dbraw/zinc/63/57/15/895635715.db2.gz QXARMPVJOCFWRG-UHFFFAOYSA-N -1 1 409.433 4.395 20 0 HIADMM CC[C@@H](C)n1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000480378546 895784781 /nfs/dbraw/zinc/78/47/81/895784781.db2.gz SXHSRKCCZHNITJ-OAHLLOKOSA-N -1 1 412.515 4.216 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)cc1 ZINC000480422451 895818330 /nfs/dbraw/zinc/81/83/30/895818330.db2.gz UIAKRTIGSHGCLV-HXUWFJFHSA-N -1 1 400.544 4.302 20 0 HIADMM Cc1ccc(NC(=O)CCc2ccccc2O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000480437502 895828576 /nfs/dbraw/zinc/82/85/76/895828576.db2.gz QOGPIHQXNXLMPT-UHFFFAOYSA-N -1 1 410.495 4.073 20 0 HIADMM CC(C)[C@@H]1N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1(C)C ZINC000480452786 895840276 /nfs/dbraw/zinc/84/02/76/895840276.db2.gz ZMGHEZCMBXXVGR-IBGZPJMESA-N -1 1 404.507 4.133 20 0 HIADMM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000480594760 895957826 /nfs/dbraw/zinc/95/78/26/895957826.db2.gz WZIAAMQKXNTSCN-CYBMUJFWSA-N -1 1 408.372 4.371 20 0 HIADMM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000481006396 896336507 /nfs/dbraw/zinc/33/65/07/896336507.db2.gz BPDQAEIDNGAVOK-MOPGFXCFSA-N -1 1 422.547 4.031 20 0 HIADMM CC[C@@H](C)Sc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c(C)c1 ZINC000481570101 896948662 /nfs/dbraw/zinc/94/86/62/896948662.db2.gz LTKCYVPTXMAKSL-CYBMUJFWSA-N -1 1 408.545 4.350 20 0 HIADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(Cl)cc1 ZINC000481902147 897280910 /nfs/dbraw/zinc/28/09/10/897280910.db2.gz SNCJJTOADHWMHU-INIZCTEOSA-N -1 1 420.694 4.061 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c(Br)c1 ZINC000481947032 897335063 /nfs/dbraw/zinc/33/50/63/897335063.db2.gz LULLZECNYIJEKP-UHFFFAOYSA-N -1 1 406.248 4.202 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1Cl ZINC000481958874 897348747 /nfs/dbraw/zinc/34/87/47/897348747.db2.gz UECWRWPKXSWHAD-UHFFFAOYSA-N -1 1 406.813 4.204 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1Cl ZINC000481959624 897349191 /nfs/dbraw/zinc/34/91/91/897349191.db2.gz RODPUFICOKZFNR-UHFFFAOYSA-N -1 1 406.895 4.030 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1Cl ZINC000481966605 897356216 /nfs/dbraw/zinc/35/62/16/897356216.db2.gz HHHJOMNJEGAXHW-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)c(C)s1 ZINC000481969309 897361659 /nfs/dbraw/zinc/36/16/59/897361659.db2.gz CUAJHEOHHJCACM-UHFFFAOYSA-N -1 1 402.497 4.057 20 0 HIADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1nc2ccccc2n1C(F)F ZINC000482028509 897435946 /nfs/dbraw/zinc/43/59/46/897435946.db2.gz YXIKRROJMPNMOG-SECBINFHSA-N -1 1 410.218 4.391 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(F)cc1F ZINC000482105367 897553710 /nfs/dbraw/zinc/55/37/10/897553710.db2.gz PXQLJISFIITNSX-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(NC(=O)CCOC(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000482127643 897584283 /nfs/dbraw/zinc/58/42/83/897584283.db2.gz FHEJIBSWPFRUBK-UHFFFAOYSA-N -1 1 410.923 4.203 20 0 HIADMM CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482556559 898147671 /nfs/dbraw/zinc/14/76/71/898147671.db2.gz RUCZHCPIGBEWIF-AWEZNQCLSA-N -1 1 420.303 4.391 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccnc2OCC(F)(F)F)c1 ZINC000482571030 898167381 /nfs/dbraw/zinc/16/73/81/898167381.db2.gz AZUYZTPXSPBGAY-UHFFFAOYSA-N -1 1 405.170 4.052 20 0 HIADMM O=c1cc(C(F)(F)F)nc(SCc2nc3cc(Br)ccc3o2)[n-]1 ZINC000505532381 914227295 /nfs/dbraw/zinc/22/72/95/914227295.db2.gz KFQFMWJPAYGTPQ-UHFFFAOYSA-N -1 1 406.183 4.397 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)c1 ZINC000482644222 898248728 /nfs/dbraw/zinc/24/87/28/898248728.db2.gz XGSGRUFYZAZSGB-GOSISDBHSA-N -1 1 417.303 4.155 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(Nc3cnn(C)c3)c2)c1 ZINC000482655904 898259675 /nfs/dbraw/zinc/25/96/75/898259675.db2.gz GPMYYDOJIGCXGG-UHFFFAOYSA-N -1 1 401.264 4.193 20 0 HIADMM Cc1noc(C)c1Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)n1 ZINC000482768270 898376071 /nfs/dbraw/zinc/37/60/71/898376071.db2.gz NLSUMALCIAUWPL-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccn(C(C)C)n3)ccc2C)cc1 ZINC000482807583 898417908 /nfs/dbraw/zinc/41/79/08/898417908.db2.gz HGYDELYUNCQFRJ-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM C[C@H]1CCSCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000482939460 898561724 /nfs/dbraw/zinc/56/17/24/898561724.db2.gz ARNQINSGKKMCSR-AWEZNQCLSA-N -1 1 424.975 4.108 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCSCC[C@@H]3C)ccc2C)cc1 ZINC000482951897 898579784 /nfs/dbraw/zinc/57/97/84/898579784.db2.gz ZJQIKMFHBZATSF-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1ccccc1COc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000483140254 898819243 /nfs/dbraw/zinc/81/92/43/898819243.db2.gz OHUVLLMNVFJJLW-UHFFFAOYSA-N -1 1 403.481 4.135 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1F ZINC000483197663 898853638 /nfs/dbraw/zinc/85/36/38/898853638.db2.gz XOXNWJGQUZZJSQ-UHFFFAOYSA-N -1 1 410.470 4.420 20 0 HIADMM Cc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1-c1ncco1 ZINC000483394718 899028734 /nfs/dbraw/zinc/02/87/34/899028734.db2.gz LPSMDICPJUMRPK-UHFFFAOYSA-N -1 1 415.453 4.087 20 0 HIADMM CC(=O)c1oc2cc(C)ccc2c1C=C([O-])Nc1nc(-c2sccc2C)ns1 ZINC000505628386 914327797 /nfs/dbraw/zinc/32/77/97/914327797.db2.gz BELOSLJRFUXYFT-UHFFFAOYSA-N -1 1 411.508 4.435 20 0 HIADMM COc1ccc(-c2nc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)sc2C)cc1 ZINC000484254754 899835911 /nfs/dbraw/zinc/83/59/11/899835911.db2.gz JEOUNAFZMOCXFW-UHFFFAOYSA-N -1 1 418.478 4.334 20 0 HIADMM COc1ccc(C)cc1-c1csc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)n1 ZINC000484272781 899845078 /nfs/dbraw/zinc/84/50/78/899845078.db2.gz BTALVNKPENJQON-UHFFFAOYSA-N -1 1 418.478 4.334 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)c(SCCC(=O)[O-])c1 ZINC000484495897 899987388 /nfs/dbraw/zinc/98/73/88/899987388.db2.gz HECRBPUNXPZSNS-UHFFFAOYSA-N -1 1 403.884 4.155 20 0 HIADMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(F)ccc1Br ZINC000484802062 900205830 /nfs/dbraw/zinc/20/58/30/900205830.db2.gz HJTQQVSAKVKZHV-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)c(C)c1 ZINC000485024576 900369081 /nfs/dbraw/zinc/36/90/81/900369081.db2.gz MLKMLEFMRKXVJA-UHFFFAOYSA-N -1 1 401.513 4.136 20 0 HIADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485171074 900468810 /nfs/dbraw/zinc/46/88/10/900468810.db2.gz HLCNUSWXVZAMNS-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM CCCCOc1cccc(NS(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000485261555 900544953 /nfs/dbraw/zinc/54/49/53/900544953.db2.gz NYYOKKGYXOVXBJ-UHFFFAOYSA-N -1 1 413.879 4.027 20 0 HIADMM COCc1ccsc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000485305772 900583496 /nfs/dbraw/zinc/58/34/96/900583496.db2.gz UDVLSQPCPLTUDZ-UHFFFAOYSA-N -1 1 416.524 4.256 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc(OC)c1Br ZINC000485394925 900692742 /nfs/dbraw/zinc/69/27/42/900692742.db2.gz KTFUWYNLLCRBLH-UHFFFAOYSA-N -1 1 418.284 4.023 20 0 HIADMM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485409979 900708342 /nfs/dbraw/zinc/70/83/42/900708342.db2.gz QSVHCVKJUROUIX-UHFFFAOYSA-N -1 1 424.803 4.001 20 0 HIADMM CO[C@](C)(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CC1 ZINC000485417370 900715593 /nfs/dbraw/zinc/71/55/93/900715593.db2.gz DIWGPNNGYCDWAC-FQEVSTJZSA-N -1 1 422.934 4.203 20 0 HIADMM Cc1cc(Br)cnc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000485455080 900749043 /nfs/dbraw/zinc/74/90/43/900749043.db2.gz YRHXYUIENKVVHD-UHFFFAOYSA-N -1 1 409.227 4.113 20 0 HIADMM Cn1c(CSc2nc(C(F)(F)F)cc(=O)[n-]2)nc2ccc(Br)cc21 ZINC000486018763 901225428 /nfs/dbraw/zinc/22/54/28/901225428.db2.gz SZWZORBRIWLJIA-UHFFFAOYSA-N -1 1 419.226 4.143 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1)C1CCC1 ZINC000486083902 901272951 /nfs/dbraw/zinc/27/29/51/901272951.db2.gz FGENYRCCFNFWDS-UHFFFAOYSA-N -1 1 406.463 4.189 20 0 HIADMM CCc1ccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1C(=O)[O-] ZINC000486089174 901277018 /nfs/dbraw/zinc/27/70/18/901277018.db2.gz PWADYAJAPMQIBD-UHFFFAOYSA-N -1 1 407.536 4.114 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1C(=O)[O-] ZINC000486094232 901283144 /nfs/dbraw/zinc/28/31/44/901283144.db2.gz VBEQQYXZESLOEE-UHFFFAOYSA-N -1 1 413.499 4.112 20 0 HIADMM CCOC(=O)c1cnn(-c2cccc(NC(=O)Nc3ccc([O-])c(Cl)c3)c2)c1C ZINC000486239343 901420492 /nfs/dbraw/zinc/42/04/92/901420492.db2.gz KQAGNUDUJBDZLO-UHFFFAOYSA-N -1 1 414.849 4.360 20 0 HIADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000486502908 901653668 /nfs/dbraw/zinc/65/36/68/901653668.db2.gz WNRAFCWEAJATFU-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM O=C(NCCc1ccc(F)c(Br)c1)c1ccc(Br)c([O-])c1 ZINC000486524121 901674907 /nfs/dbraw/zinc/67/49/07/901674907.db2.gz FLTYWBXYVXTIEL-UHFFFAOYSA-N -1 1 417.072 4.029 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccccc3F)nc2)c(=O)[n-]1 ZINC000487095562 902057140 /nfs/dbraw/zinc/05/71/40/902057140.db2.gz GBULSZMRKMPTLE-UHFFFAOYSA-N -1 1 414.462 4.110 20 0 HIADMM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000487111618 902061445 /nfs/dbraw/zinc/06/14/45/902061445.db2.gz JMYJZMSMJOJGQY-SECBINFHSA-N -1 1 424.147 4.060 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 ZINC000487308998 902145326 /nfs/dbraw/zinc/14/53/26/902145326.db2.gz VGRUXEKJKNZJAX-IFXJQAMLSA-N -1 1 401.825 4.087 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000487367285 902163721 /nfs/dbraw/zinc/16/37/21/902163721.db2.gz BVRNXNHBWVFQMP-UHFFFAOYSA-N -1 1 415.964 4.163 20 0 HIADMM Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)ccc1F ZINC000487920159 902451803 /nfs/dbraw/zinc/45/18/03/902451803.db2.gz SKWNQEQMYALTMP-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=S(=O)([N-]c1cccc(F)c1F)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488236207 902712375 /nfs/dbraw/zinc/71/23/75/902712375.db2.gz SNIOCLMPROKRIC-ZDUSSCGKSA-N -1 1 417.861 4.367 20 0 HIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488250397 902724160 /nfs/dbraw/zinc/72/41/60/902724160.db2.gz KHOFQFFWCOHTNC-AWEZNQCLSA-N -1 1 417.861 4.367 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCC(F)(F)C3)c2)c1 ZINC000488938606 903086706 /nfs/dbraw/zinc/08/67/06/903086706.db2.gz HLFVYDPAQLEPTP-QGZVFWFLSA-N -1 1 408.470 4.104 20 0 HIADMM CSC[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000489334515 903335687 /nfs/dbraw/zinc/33/56/87/903335687.db2.gz STBMXQKXORTPHA-QGZVFWFLSA-N -1 1 424.975 4.108 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)on1 ZINC000489613682 903498167 /nfs/dbraw/zinc/49/81/67/903498167.db2.gz VYIAZKPLPHASEC-UHFFFAOYSA-N -1 1 410.389 4.094 20 0 HIADMM CC(C)CN(CC(C)C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000489651827 903516329 /nfs/dbraw/zinc/51/63/29/903516329.db2.gz UVYAQUWCLRNCGI-UHFFFAOYSA-N -1 1 406.523 4.381 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccncc4)cc3)ccc21 ZINC000489695806 903544378 /nfs/dbraw/zinc/54/43/78/903544378.db2.gz MAPRKLTWPKGUDF-UHFFFAOYSA-N -1 1 422.510 4.392 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc2)o1 ZINC000489750575 903577712 /nfs/dbraw/zinc/57/77/12/903577712.db2.gz YZUWFUFJVWXJNN-UHFFFAOYSA-N -1 1 411.487 4.030 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1C ZINC000489760467 903586219 /nfs/dbraw/zinc/58/62/19/903586219.db2.gz CGTSBAYJLKCLFA-UHFFFAOYSA-N -1 1 414.531 4.465 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc[nH]3)cc2)c1C ZINC000490002989 903719368 /nfs/dbraw/zinc/71/93/68/903719368.db2.gz HGPDYSCWDVGHQY-QFIPXVFZSA-N -1 1 423.538 4.410 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([C@H]4C[C@@H]4C)[nH]n3)ccc2C)c1 ZINC000490258368 903858037 /nfs/dbraw/zinc/85/80/37/903858037.db2.gz LYYCYTQOIZDUCA-YJBOKZPZSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)c1 ZINC000490290854 903880193 /nfs/dbraw/zinc/88/01/93/903880193.db2.gz JCPCRXJPAPJIJC-UHFFFAOYSA-N -1 1 419.437 4.176 20 0 HIADMM CC(C)c1nnc(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)s1 ZINC000490454627 904021548 /nfs/dbraw/zinc/02/15/48/904021548.db2.gz RBYQTKFOSQKEIF-UHFFFAOYSA-N -1 1 414.767 4.143 20 0 HIADMM CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(Br)c([O-])c3)n2)cc1 ZINC000490604698 904130341 /nfs/dbraw/zinc/13/03/41/904130341.db2.gz DQUWOOHFCMMQTI-NSHDSACASA-N -1 1 416.275 4.258 20 0 HIADMM O=C(CC1CCCC1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000490694673 904175984 /nfs/dbraw/zinc/17/59/84/904175984.db2.gz KVRYCYDQIMWQKL-UHFFFAOYSA-N -1 1 408.907 4.365 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1OC ZINC000490929289 904322499 /nfs/dbraw/zinc/32/24/99/904322499.db2.gz NBQGBDUDZNWGQX-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000491456136 904605526 /nfs/dbraw/zinc/60/55/26/904605526.db2.gz KQISFEVKVVQHAK-QHCPKHFHSA-N -1 1 410.493 4.171 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000491582110 904662427 /nfs/dbraw/zinc/66/24/27/904662427.db2.gz UGDZZTYKMBOCRA-LJQANCHMSA-N -1 1 408.527 4.156 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccc3)[nH]c2c1)c1cnccc1C(F)(F)F ZINC000491598599 904668030 /nfs/dbraw/zinc/66/80/30/904668030.db2.gz IIPDZWBTQSSYGW-UHFFFAOYSA-N -1 1 418.400 4.445 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2Br)cc1F ZINC000491832371 904705585 /nfs/dbraw/zinc/70/55/85/904705585.db2.gz PXQGOSXPZJKYEX-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM COc1cc(NC(=O)N2CCC[C@@H]2CCC2CCCC2)ccc1[N-]S(C)(=O)=O ZINC000494186513 905521103 /nfs/dbraw/zinc/52/11/03/905521103.db2.gz SQDLAHDGRIDULM-QGZVFWFLSA-N -1 1 409.552 4.033 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC(C)(C)C3)cc2)cc1 ZINC000494423513 905710094 /nfs/dbraw/zinc/71/00/94/905710094.db2.gz TZNPOTSPKZNQQC-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ncc(C)cc1[O-] ZINC000494982877 906148426 /nfs/dbraw/zinc/14/84/26/906148426.db2.gz AQMYSVKIRTWUQF-UHFFFAOYSA-N -1 1 412.511 4.407 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1C ZINC000512572277 921243822 /nfs/dbraw/zinc/24/38/22/921243822.db2.gz IZVLDOYMNYJEFN-UHFFFAOYSA-N -1 1 403.529 4.014 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000496667785 906731500 /nfs/dbraw/zinc/73/15/00/906731500.db2.gz AMCWWXFKKBVYJE-SFHVURJKSA-N -1 1 422.916 4.155 20 0 HIADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000496803756 906758953 /nfs/dbraw/zinc/75/89/53/906758953.db2.gz QAFIHRPHGXFFQQ-MRXNPFEDSA-N -1 1 412.486 4.426 20 0 HIADMM COc1cccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000497293554 906829881 /nfs/dbraw/zinc/82/98/81/906829881.db2.gz HLPYPXDZDLLJBF-KRWDZBQOSA-N -1 1 424.522 4.295 20 0 HIADMM C[C@H](NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1)c1cccc2ccccc21 ZINC000497451228 906926110 /nfs/dbraw/zinc/92/61/10/906926110.db2.gz IWRMMZSPCLNZDO-HNNXBMFYSA-N -1 1 423.538 4.187 20 0 HIADMM C[C@H](NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1)c1cccc2ccccc21 ZINC000497451228 906926129 /nfs/dbraw/zinc/92/61/29/906926129.db2.gz IWRMMZSPCLNZDO-HNNXBMFYSA-N -1 1 423.538 4.187 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000497451336 906926346 /nfs/dbraw/zinc/92/63/46/906926346.db2.gz ONOMPYRDTHGENT-JOCHJYFZSA-N -1 1 404.514 4.341 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1OC(F)F ZINC000512721585 921296400 /nfs/dbraw/zinc/29/64/00/921296400.db2.gz WWLJBVCBEVMLJR-UHFFFAOYSA-N -1 1 418.421 4.140 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(CC(F)(F)F)cc3)c3cccc(c23)C1=O ZINC000512724727 921297051 /nfs/dbraw/zinc/29/70/51/921297051.db2.gz GJEFNOQZGICYEH-UHFFFAOYSA-N -1 1 420.412 4.335 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2)cc1 ZINC000497839805 907319562 /nfs/dbraw/zinc/31/95/62/907319562.db2.gz JWHHNAWNABAMCP-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1)c1ccc(F)cc1 ZINC000497944944 907413301 /nfs/dbraw/zinc/41/33/01/907413301.db2.gz UXWQIYRUXIFMDJ-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM C[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cc1 ZINC000512822545 921326807 /nfs/dbraw/zinc/32/68/07/921326807.db2.gz GZLJOLUHMHOYQB-MRXNPFEDSA-N -1 1 412.486 4.160 20 0 HIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000498014144 907507804 /nfs/dbraw/zinc/50/78/04/907507804.db2.gz BRKUORSJSATZCA-UHFFFAOYSA-N -1 1 405.264 4.348 20 0 HIADMM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 ZINC000512827715 921332847 /nfs/dbraw/zinc/33/28/47/921332847.db2.gz NKZPIAORTFOJKT-UHFFFAOYSA-N -1 1 410.860 4.088 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCOc4ccccc43)cc2)c1 ZINC000512832009 921336134 /nfs/dbraw/zinc/33/61/34/921336134.db2.gz IDEHEUQWKYSTCJ-UHFFFAOYSA-N -1 1 422.506 4.143 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)ccc2C)c1 ZINC000498078194 907587215 /nfs/dbraw/zinc/58/72/15/907587215.db2.gz PSRFCAIBSZQBCP-IRXDYDNUSA-N -1 1 414.527 4.048 20 0 HIADMM O=C(Nc1cccc(C2CC2)n1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000498144281 907667609 /nfs/dbraw/zinc/66/76/09/907667609.db2.gz ICJCKCQSRQMRDC-UHFFFAOYSA-N -1 1 411.458 4.151 20 0 HIADMM COc1cccc(C(=O)CCCC(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000498215592 907746437 /nfs/dbraw/zinc/74/64/37/907746437.db2.gz IDQDJLMRNJQZFU-UHFFFAOYSA-N -1 1 406.276 4.463 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc2)cc1 ZINC000498316617 907836460 /nfs/dbraw/zinc/83/64/60/907836460.db2.gz RTDNVAMBJRJNJE-KRWDZBQOSA-N -1 1 424.522 4.295 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccc(C)cc3)cc2)cc1 ZINC000498316618 907836603 /nfs/dbraw/zinc/83/66/03/907836603.db2.gz RTDNVAMBJRJNJE-QGZVFWFLSA-N -1 1 424.522 4.295 20 0 HIADMM CCCN(CC(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000498720909 908147702 /nfs/dbraw/zinc/14/77/02/908147702.db2.gz JKIPXAGYTJGPNP-UHFFFAOYSA-N -1 1 416.877 4.258 20 0 HIADMM O=c1[n-]c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2sc3ccccc3c21 ZINC000498852769 908256996 /nfs/dbraw/zinc/25/69/96/908256996.db2.gz PQLDUGGYFOIPLZ-UHFFFAOYSA-N -1 1 411.508 4.002 20 0 HIADMM CCCCOc1cccc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)OC)c1 ZINC000499173917 908526878 /nfs/dbraw/zinc/52/68/78/908526878.db2.gz WUTUMWSRCLJKCM-UHFFFAOYSA-N -1 1 414.483 4.001 20 0 HIADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000499541510 908834255 /nfs/dbraw/zinc/83/42/55/908834255.db2.gz RFFBHCLXPSFJKA-CQSZACIVSA-N -1 1 402.447 4.053 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)c3ccco3)c2)cc1F ZINC000499564730 908841877 /nfs/dbraw/zinc/84/18/77/908841877.db2.gz ZHODJVJXZFVXKI-HNNXBMFYSA-N -1 1 416.474 4.361 20 0 HIADMM CCCN(CC(C)C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000499654634 908865945 /nfs/dbraw/zinc/86/59/45/908865945.db2.gz DGFBPCMFTMIUSN-UHFFFAOYSA-N -1 1 418.559 4.394 20 0 HIADMM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000499896870 909021017 /nfs/dbraw/zinc/02/10/17/909021017.db2.gz UGWVYRVRZBEOJL-CYBMUJFWSA-N -1 1 423.738 4.373 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(C)C)cc1 ZINC000500157702 909639550 /nfs/dbraw/zinc/63/95/50/909639550.db2.gz ONSMPFNWZDZHSI-LJQANCHMSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1C(F)(F)F ZINC000500362638 909812751 /nfs/dbraw/zinc/81/27/51/909812751.db2.gz PVCDEJGRHVDZMS-UHFFFAOYSA-N -1 1 413.421 4.099 20 0 HIADMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000500361354 909812777 /nfs/dbraw/zinc/81/27/77/909812777.db2.gz OFDPMDPQQKUADS-UHFFFAOYSA-N -1 1 410.421 4.093 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(CC(C)C)C3CC3)ccc2C)cc1 ZINC000513113043 921560580 /nfs/dbraw/zinc/56/05/80/921560580.db2.gz IVNIRVLRGDNEOI-UHFFFAOYSA-N -1 1 400.544 4.365 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccncc3C)c2)cc1 ZINC000501220096 910382209 /nfs/dbraw/zinc/38/22/09/910382209.db2.gz XGBFCRHXAXKOKB-UHFFFAOYSA-N -1 1 423.538 4.208 20 0 HIADMM CCc1c(C)nn(-c2cccc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c2)c1C ZINC000501765019 910820703 /nfs/dbraw/zinc/82/07/03/910820703.db2.gz LIKDJKUBACYTMK-UHFFFAOYSA-N -1 1 401.470 4.400 20 0 HIADMM O=C(NCC1(C2CC2)CCC1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000502060245 911008060 /nfs/dbraw/zinc/00/80/60/911008060.db2.gz DNIQONMZFIGRCW-UHFFFAOYSA-N -1 1 420.481 4.076 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)c(=O)[n-]1 ZINC000502391928 911377074 /nfs/dbraw/zinc/37/70/74/911377074.db2.gz QMSJZDWHGCPISZ-CYBMUJFWSA-N -1 1 423.941 4.171 20 0 HIADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)c1 ZINC000502813025 911829660 /nfs/dbraw/zinc/82/96/60/911829660.db2.gz MYARJYASONRYKL-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM CCC[C@H]1C[C@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000502933082 911919527 /nfs/dbraw/zinc/91/95/27/911919527.db2.gz ZJRQSADNBCXLTK-APWZRJJASA-N -1 1 402.516 4.021 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)ccc1N1CCCC1=O ZINC000506596462 915243878 /nfs/dbraw/zinc/24/38/78/915243878.db2.gz UPQQOHGSBNVIHZ-UHFFFAOYSA-N -1 1 422.506 4.290 20 0 HIADMM C[C@H](F)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000507011040 915819900 /nfs/dbraw/zinc/81/99/00/915819900.db2.gz JHJIBTZCJYHGDA-NSHDSACASA-N -1 1 419.305 4.272 20 0 HIADMM COc1cc(NC(=O)c2oc3c(cccc3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000507108488 915872868 /nfs/dbraw/zinc/87/28/68/915872868.db2.gz GCOYFCBZVAHKDX-UHFFFAOYSA-N -1 1 408.863 4.027 20 0 HIADMM O=S(=O)([N-]CCc1ccccc1C(F)(F)F)c1sccc1Br ZINC000507278693 916043069 /nfs/dbraw/zinc/04/30/69/916043069.db2.gz KXEZDCYWRKNVSQ-UHFFFAOYSA-N -1 1 414.268 4.050 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000507351400 916106032 /nfs/dbraw/zinc/10/60/32/916106032.db2.gz YVESVRZSVJLHBF-UHFFFAOYSA-N -1 1 415.222 4.418 20 0 HIADMM O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000507759345 916547019 /nfs/dbraw/zinc/54/70/19/916547019.db2.gz UMNJYQCBUJOPHA-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)ccc1C ZINC000507901374 916766545 /nfs/dbraw/zinc/76/65/45/916766545.db2.gz IDGLQABZIXFPBV-UHFFFAOYSA-N -1 1 415.433 4.467 20 0 HIADMM Cc1occc1CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000507904651 916773038 /nfs/dbraw/zinc/77/30/38/916773038.db2.gz KZEHQJUQIZUJAW-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507907837 916780044 /nfs/dbraw/zinc/78/00/44/916780044.db2.gz HWIREDXSIIKLDO-LLVKDONJSA-N -1 1 412.496 4.133 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c1 ZINC000507935126 916806558 /nfs/dbraw/zinc/80/65/58/916806558.db2.gz MOPCHQVINZHAFO-UHFFFAOYSA-N -1 1 415.433 4.088 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1c(F)ccc(O)c1F ZINC000507993945 916835701 /nfs/dbraw/zinc/83/57/01/916835701.db2.gz AZDKATRSZIPUPW-UHFFFAOYSA-N -1 1 418.465 4.103 20 0 HIADMM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccc(F)cc1Cl ZINC000508081820 916900715 /nfs/dbraw/zinc/90/07/15/916900715.db2.gz DLMUYRZKKAGBCR-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM CC(C)C1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000508557963 917333753 /nfs/dbraw/zinc/33/37/53/917333753.db2.gz RPKZFKSNAIHDLN-UHFFFAOYSA-N -1 1 410.898 4.198 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1csc2ccccc21)c1nc(-c2ccncc2)no1 ZINC000508758126 917513518 /nfs/dbraw/zinc/51/35/18/917513518.db2.gz PNOIUVLTXJJQPX-KRWDZBQOSA-N -1 1 414.512 4.022 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)c1nc(-c2cccnc2)no1 ZINC000508764570 917519308 /nfs/dbraw/zinc/51/93/08/917519308.db2.gz MSBUKABIMMXCEE-QGZVFWFLSA-N -1 1 414.512 4.022 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1F ZINC000508912546 917668830 /nfs/dbraw/zinc/66/88/30/917668830.db2.gz CTYZZFRUINIOFH-QMMMGPOBSA-N -1 1 424.252 4.098 20 0 HIADMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)ccc21 ZINC000509068812 917814026 /nfs/dbraw/zinc/81/40/26/917814026.db2.gz RTAIUHPZSCBLAK-UHFFFAOYSA-N -1 1 412.433 4.114 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509101995 917841225 /nfs/dbraw/zinc/84/12/25/917841225.db2.gz BTNUOYKJAKBWME-UHFFFAOYSA-N -1 1 412.433 4.472 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC000509177209 917889042 /nfs/dbraw/zinc/88/90/42/917889042.db2.gz GKEOLPIEWVBCRD-UHFFFAOYSA-N -1 1 419.264 4.192 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncc(Br)cc2Br)c1 ZINC000509237797 917933528 /nfs/dbraw/zinc/93/35/28/917933528.db2.gz IXHFRCOQPDZGLM-UHFFFAOYSA-N -1 1 420.126 4.024 20 0 HIADMM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000509372964 918037507 /nfs/dbraw/zinc/03/75/07/918037507.db2.gz BPAZHHLHLVKQFP-UHFFFAOYSA-N -1 1 400.431 4.034 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2C)c1 ZINC000509377841 918044973 /nfs/dbraw/zinc/04/49/73/918044973.db2.gz YXHUEQBEUXKSGQ-UHFFFAOYSA-N -1 1 401.513 4.445 20 0 HIADMM CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000509438176 918094041 /nfs/dbraw/zinc/09/40/41/918094041.db2.gz LYDKSJDHALLQEA-UTKZUKDTSA-N -1 1 418.534 4.254 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ncccn3)cc2C)cc1Cl ZINC000509540656 918188496 /nfs/dbraw/zinc/18/84/96/918188496.db2.gz KPYRBXABGZGQCE-UHFFFAOYSA-N -1 1 421.931 4.399 20 0 HIADMM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3csc4ccccc43)n2)ccc1F ZINC000509863825 918465467 /nfs/dbraw/zinc/46/54/67/918465467.db2.gz KDHSHHRMLZNXBN-GFCCVEGCSA-N -1 1 417.487 4.438 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000510299625 918816051 /nfs/dbraw/zinc/81/60/51/918816051.db2.gz VCXXQZOJEAKBSJ-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM CCOC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000510403903 918876043 /nfs/dbraw/zinc/87/60/43/918876043.db2.gz LKLWNGDQOFTYGN-UHFFFAOYSA-N -1 1 414.738 4.047 20 0 HIADMM CC(C)(C[N-]S(=O)(=O)c1sccc1Br)c1ccc(Cl)cc1 ZINC000511067557 919668298 /nfs/dbraw/zinc/66/82/98/919668298.db2.gz DEVBBYZUQGJDKY-UHFFFAOYSA-N -1 1 408.770 4.420 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(Cl)ccn3)c2)c1 ZINC000511130195 919746886 /nfs/dbraw/zinc/74/68/86/919746886.db2.gz INFGJPCBGZYTKF-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)ccn3)cc2)c1C ZINC000511159213 919780222 /nfs/dbraw/zinc/78/02/22/919780222.db2.gz ZALCWYZQIUHBPI-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)ccn3)c2)cc1F ZINC000511163523 919784294 /nfs/dbraw/zinc/78/42/94/919784294.db2.gz XLCGWUAITLGXLF-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1ccc(Cl)cc1Br ZINC000511350370 919944146 /nfs/dbraw/zinc/94/41/46/919944146.db2.gz LAIUJPAYZNRCFO-UHFFFAOYSA-N -1 1 406.651 4.113 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1nc2cc(F)ccc2o1 ZINC000511690246 920353031 /nfs/dbraw/zinc/35/30/31/920353031.db2.gz GQLISKMHQRLTED-UHFFFAOYSA-N -1 1 411.458 4.404 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC[C@@H]3C)cc2)ccc1F ZINC000511804381 920500176 /nfs/dbraw/zinc/50/01/76/920500176.db2.gz CPHIQSFDNVRFQT-INIZCTEOSA-N -1 1 404.507 4.340 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000511880104 920612237 /nfs/dbraw/zinc/61/22/37/920612237.db2.gz OBFJDOMNVURVPE-UHFFFAOYSA-N -1 1 406.530 4.251 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cn3cccnc3n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000511884690 920619516 /nfs/dbraw/zinc/61/95/16/920619516.db2.gz MZFAYLDNBCZDPQ-UHFFFAOYSA-N -1 1 418.400 4.216 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCc2ccccc2C1 ZINC000511923455 920668478 /nfs/dbraw/zinc/66/84/78/920668478.db2.gz PVSALCDFPAUSHW-QFIPXVFZSA-N -1 1 420.534 4.117 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CCc2ccccc2C1 ZINC000511932811 920682245 /nfs/dbraw/zinc/68/22/45/920682245.db2.gz CCNJKZQTVVXIMJ-JOCHJYFZSA-N -1 1 420.534 4.117 20 0 HIADMM CN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000512018983 920792713 /nfs/dbraw/zinc/79/27/13/920792713.db2.gz TZNRWJBGGLZZQF-WMLDXEAASA-N -1 1 418.419 4.101 20 0 HIADMM Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1cccc([O-])c1Cl ZINC000512304990 921060065 /nfs/dbraw/zinc/06/00/65/921060065.db2.gz AJNUPQUPMNPIDZ-FQEVSTJZSA-N -1 1 411.933 4.481 20 0 HIADMM Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000513652891 921974702 /nfs/dbraw/zinc/97/47/02/921974702.db2.gz BVXBSSUAEDYGTR-UHFFFAOYSA-N -1 1 404.239 4.349 20 0 HIADMM CC[C@H]1C[C@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000513720478 922041803 /nfs/dbraw/zinc/04/18/03/922041803.db2.gz LFVZVRHZJYKOGV-APWZRJJASA-N -1 1 402.516 4.021 20 0 HIADMM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000513752876 922072581 /nfs/dbraw/zinc/07/25/81/922072581.db2.gz ZCKBANLMEBBKGT-UHFFFAOYSA-N -1 1 423.469 4.289 20 0 HIADMM Cc1cnc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(Br)c1 ZINC000513784703 922110680 /nfs/dbraw/zinc/11/06/80/922110680.db2.gz XGQLSUOFBUXUMW-UHFFFAOYSA-N -1 1 413.190 4.111 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4n[nH]cc4c3)ccc2C)cc1 ZINC000514959380 922853868 /nfs/dbraw/zinc/85/38/68/922853868.db2.gz UQOOJBAUUNBZRJ-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)[C@H]1CCc2ccccc21 ZINC000514984729 922867961 /nfs/dbraw/zinc/86/79/61/922867961.db2.gz CUMGSDORIFYOOI-QFIPXVFZSA-N -1 1 424.497 4.386 20 0 HIADMM CCC(CC)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000515158385 922960594 /nfs/dbraw/zinc/96/05/94/922960594.db2.gz NTJBSGSIULWJNR-IBGZPJMESA-N -1 1 406.548 4.264 20 0 HIADMM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(OC)c(F)c3C)cn2)cc1 ZINC000515227620 923003456 /nfs/dbraw/zinc/00/34/56/923003456.db2.gz LZJCPJIAUWXFIW-UHFFFAOYSA-N -1 1 418.446 4.139 20 0 HIADMM CC[C@@H](C)Cc1c(C)sc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)[n-]c(=O)c12 ZINC000515438527 923099464 /nfs/dbraw/zinc/09/94/64/923099464.db2.gz UPDIEGLYONFFDX-GFCCVEGCSA-N -1 1 419.572 4.211 20 0 HIADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000515618632 923220296 /nfs/dbraw/zinc/22/02/96/923220296.db2.gz GZIDOCDRFSQMHF-UHFFFAOYSA-N -1 1 417.508 4.073 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)c(C)c3)nc2)cc1 ZINC000515633761 923234831 /nfs/dbraw/zinc/23/48/31/923234831.db2.gz WEMOORSMQZBGSM-UHFFFAOYSA-N -1 1 412.511 4.480 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)ccc1OC(C)C ZINC000515632852 923235677 /nfs/dbraw/zinc/23/56/77/923235677.db2.gz FVEVOXGQOHLTOS-UHFFFAOYSA-N -1 1 422.934 4.129 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1C ZINC000515695675 923279279 /nfs/dbraw/zinc/27/92/79/923279279.db2.gz PPQRNZSSNJUIRE-QGZVFWFLSA-N -1 1 416.543 4.209 20 0 HIADMM CC(C)N(CC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000515820447 923373950 /nfs/dbraw/zinc/37/39/50/923373950.db2.gz KMVVDTJKPWUMAT-UHFFFAOYSA-N -1 1 408.470 4.026 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000515838079 923384442 /nfs/dbraw/zinc/38/44/42/923384442.db2.gz QUNIWBNYMCJFAC-UHFFFAOYSA-N -1 1 400.790 4.397 20 0 HIADMM O=C([C@H](Sc1ccccc1Cl)c1ccccc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000516032189 923509643 /nfs/dbraw/zinc/50/96/43/923509643.db2.gz IFCGYFJWKDHFGQ-MAUKXSAKSA-N -1 1 413.934 4.093 20 0 HIADMM CCCc1nc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)co1 ZINC000516038482 923515708 /nfs/dbraw/zinc/51/57/08/923515708.db2.gz NUDLKKJOXYBTRM-UHFFFAOYSA-N -1 1 410.455 4.145 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC000516194208 923590838 /nfs/dbraw/zinc/59/08/38/923590838.db2.gz VPEQPQSVXHGQSN-GFCCVEGCSA-N -1 1 419.761 4.452 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N([C@H](C)C(C)C)C3CC3)c2)cc1 ZINC000516331401 923670530 /nfs/dbraw/zinc/67/05/30/923670530.db2.gz ZSWHFBHCVWVJGG-MRXNPFEDSA-N -1 1 416.543 4.145 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@H]2C(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000517094374 923992479 /nfs/dbraw/zinc/99/24/79/923992479.db2.gz FSOBMHPJSGANAN-IBGZPJMESA-N -1 1 404.507 4.196 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(I)c([O-])c2)[C@@H]1c1cccs1 ZINC000517256966 924063806 /nfs/dbraw/zinc/06/38/06/924063806.db2.gz RIWYYRHAVLXIJT-CQSZACIVSA-N -1 1 413.280 4.282 20 0 HIADMM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1C ZINC000517345042 924117714 /nfs/dbraw/zinc/11/77/14/924117714.db2.gz RROHBHRATYLOFG-UHFFFAOYSA-N -1 1 415.671 4.182 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)o1 ZINC000517415076 924165847 /nfs/dbraw/zinc/16/58/47/924165847.db2.gz YZKRMCQVZCFVQV-HNNXBMFYSA-N -1 1 419.421 4.151 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000517457929 924203888 /nfs/dbraw/zinc/20/38/88/924203888.db2.gz PRJRNBRDWFWZQX-JXFKEZNVSA-N -1 1 424.522 4.442 20 0 HIADMM [O-]c1ccc(-c2noc(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)c(F)c1 ZINC000517493256 924227567 /nfs/dbraw/zinc/22/75/67/924227567.db2.gz NZZRGDWTNHABLT-UHFFFAOYSA-N -1 1 408.355 4.379 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc(-c3cccnc3)no2)cc1 ZINC000517609585 926717314 /nfs/dbraw/zinc/71/73/14/926717314.db2.gz LRPBKTKLDUXGFG-UHFFFAOYSA-N -1 1 412.858 4.253 20 0 HIADMM Cc1ccc(-n2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccco3)nn2)cc1 ZINC000517656630 926764077 /nfs/dbraw/zinc/76/40/77/926764077.db2.gz NBFACEZWUNAIDJ-UHFFFAOYSA-N -1 1 412.405 4.398 20 0 HIADMM CCC1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)CC1 ZINC000517678868 926784275 /nfs/dbraw/zinc/78/42/75/926784275.db2.gz KIACWWXRWVDNHF-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM O=C(Nc1cccc(NC(=O)c2cncc([O-])c2)c1)c1cccc(C(F)(F)F)c1 ZINC000517718232 926812467 /nfs/dbraw/zinc/81/24/67/926812467.db2.gz YZQRPXMJALETGL-UHFFFAOYSA-N -1 1 401.344 4.311 20 0 HIADMM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000517926050 926892338 /nfs/dbraw/zinc/89/23/38/926892338.db2.gz BJEYCSVZPKWVMX-UHFFFAOYSA-N -1 1 401.937 4.278 20 0 HIADMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C(C)(C)C ZINC000517963773 926906265 /nfs/dbraw/zinc/90/62/65/926906265.db2.gz WCQBOJXNOSHODZ-GOSISDBHSA-N -1 1 410.486 4.320 20 0 HIADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1 ZINC000518189899 927072989 /nfs/dbraw/zinc/07/29/89/927072989.db2.gz FVXFMTWBQLQUMF-UHFFFAOYSA-N -1 1 416.886 4.293 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1 ZINC000518429680 927263652 /nfs/dbraw/zinc/26/36/52/927263652.db2.gz XVNOIVWVJLWRJZ-UHFFFAOYSA-N -1 1 415.540 4.066 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]3C(C)C)cc2)c1 ZINC000518779348 927487927 /nfs/dbraw/zinc/48/79/27/927487927.db2.gz NVNAYUOUCLEORM-HXUWFJFHSA-N -1 1 400.544 4.365 20 0 HIADMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000518949125 927650982 /nfs/dbraw/zinc/65/09/82/927650982.db2.gz CPASPALFDNQWFR-UHFFFAOYSA-N -1 1 421.478 4.048 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3CC=CCC3)cc2)ccc1F ZINC000519024739 927702033 /nfs/dbraw/zinc/70/20/33/927702033.db2.gz FJTXEMJZUFNVPP-INIZCTEOSA-N -1 1 402.491 4.021 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2ccccc2)o1 ZINC000519113337 927780408 /nfs/dbraw/zinc/78/04/08/927780408.db2.gz ZUWUPBWCMAEXBH-KRWDZBQOSA-N -1 1 404.532 4.114 20 0 HIADMM COc1ccc(COCc2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000519120746 927788700 /nfs/dbraw/zinc/78/87/00/927788700.db2.gz RUDZOUDVUJUZRF-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM CCC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000519162111 927806972 /nfs/dbraw/zinc/80/69/72/927806972.db2.gz CCPWKZCIKQOLAM-UHFFFAOYSA-N -1 1 423.494 4.088 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1 ZINC000519280499 927861372 /nfs/dbraw/zinc/86/13/72/927861372.db2.gz CSKIMXMJPQYUJQ-HNNXBMFYSA-N -1 1 407.495 4.332 20 0 HIADMM Cc1coc(C)c1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000519354710 927895213 /nfs/dbraw/zinc/89/52/13/927895213.db2.gz JQFQQSFTPVLNQK-UHFFFAOYSA-N -1 1 420.874 4.309 20 0 HIADMM Cc1ccc(Cc2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)s1 ZINC000519476158 927975115 /nfs/dbraw/zinc/97/51/15/927975115.db2.gz UKPGUEKJHMKBDU-UHFFFAOYSA-N -1 1 411.508 4.498 20 0 HIADMM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000519553105 928013507 /nfs/dbraw/zinc/01/35/07/928013507.db2.gz GDADZOLWFHWYSW-RUZDIDTESA-N -1 1 401.500 4.472 20 0 HIADMM Cc1ccc(C[NH+]2CCSCC2)cc1NS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000519558408 928014486 /nfs/dbraw/zinc/01/44/86/928014486.db2.gz NHLRWRIIEBDYFE-UHFFFAOYSA-N -1 1 412.527 4.282 20 0 HIADMM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000519720598 928056891 /nfs/dbraw/zinc/05/68/91/928056891.db2.gz FQOFJPYVWHMFAP-GJZGRUSLSA-N -1 1 404.507 4.181 20 0 HIADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)nn1CCCOc1ccc(F)cc1 ZINC000519850838 928096142 /nfs/dbraw/zinc/09/61/42/928096142.db2.gz RDHCNKAVGHRXDT-UHFFFAOYSA-N -1 1 405.376 4.036 20 0 HIADMM C[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CC1 ZINC000519873542 928106559 /nfs/dbraw/zinc/10/65/59/928106559.db2.gz FGWPSZRUBNXBCH-CQSZACIVSA-N -1 1 408.470 4.028 20 0 HIADMM C[C@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)c2)C1 ZINC000519876635 928110728 /nfs/dbraw/zinc/11/07/28/928110728.db2.gz ZXKLICDDNKLSBQ-WMLDXEAASA-N -1 1 416.499 4.430 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc1C ZINC000519993027 928220997 /nfs/dbraw/zinc/22/09/97/928220997.db2.gz JRPKDMGQFNTHTL-HNNXBMFYSA-N -1 1 400.544 4.285 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3CCC(C)C)cc2C[C@H]1C ZINC000520078372 928297926 /nfs/dbraw/zinc/29/79/26/928297926.db2.gz ZMJHFFYXYWZBAL-MRXNPFEDSA-N -1 1 400.544 4.374 20 0 HIADMM C[C@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2)C1 ZINC000520141298 928337635 /nfs/dbraw/zinc/33/76/35/928337635.db2.gz QUWJSGDCIAMQAR-YOEHRIQHSA-N -1 1 415.515 4.165 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000520286448 928448474 /nfs/dbraw/zinc/44/84/74/928448474.db2.gz DFWPWMQQLGNOTH-UHFFFAOYSA-N -1 1 402.438 4.361 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)c(C(F)(F)F)c1 ZINC000520395186 928546025 /nfs/dbraw/zinc/54/60/25/928546025.db2.gz GJWUFKNRMLFVIN-UHFFFAOYSA-N -1 1 403.422 4.094 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)OC)cc2)c2ccccc12 ZINC000520626438 928682813 /nfs/dbraw/zinc/68/28/13/928682813.db2.gz NWNQWODCECKUFS-UHFFFAOYSA-N -1 1 413.495 4.145 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)Nc4ccccc4)c3)ccc2O1 ZINC000520680269 928726715 /nfs/dbraw/zinc/72/67/15/928726715.db2.gz FVESVOFBLPEABX-HNNXBMFYSA-N -1 1 423.494 4.455 20 0 HIADMM [O-]c1cccnc1CN1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000521114962 929004637 /nfs/dbraw/zinc/00/46/37/929004637.db2.gz PDXMTEJFAORRMZ-INIZCTEOSA-N -1 1 406.326 4.398 20 0 HIADMM CN(C(=O)CSc1nc(C(F)F)cc(=O)[n-]1)C(c1ccccc1)c1ccccc1 ZINC000521119609 929006919 /nfs/dbraw/zinc/00/69/19/929006919.db2.gz MVGJNAHLJDRXGP-UHFFFAOYSA-N -1 1 415.465 4.460 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3OC)c2)cc1 ZINC000521143890 929021918 /nfs/dbraw/zinc/02/19/18/929021918.db2.gz YRHUHDQVHCMAHQ-UHFFFAOYSA-N -1 1 411.479 4.340 20 0 HIADMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000521156819 929030943 /nfs/dbraw/zinc/03/09/43/929030943.db2.gz CRRYBYOOXUYFMT-OPAMFIHVSA-N -1 1 406.507 4.151 20 0 HIADMM COc1ccc2c(c1)CCN2C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000521212569 929062872 /nfs/dbraw/zinc/06/28/72/929062872.db2.gz PSFAEGSUCNAAQE-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000521345326 929161131 /nfs/dbraw/zinc/16/11/31/929161131.db2.gz UJFNPLGCYZARRN-SJLPKXTDSA-N -1 1 418.534 4.112 20 0 HIADMM C[C@@H]1CCC[C@@H](OCc2cccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)c2)C1 ZINC000521728588 929393208 /nfs/dbraw/zinc/39/32/08/929393208.db2.gz HTLZMUFEFBAQBB-CZUORRHYSA-N -1 1 409.529 4.342 20 0 HIADMM CCCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H](C)c1ccccc1OC ZINC000521759572 929420917 /nfs/dbraw/zinc/42/09/17/929420917.db2.gz SXZVRIYMDGHRSM-QGZVFWFLSA-N -1 1 420.513 4.104 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000521820394 929477450 /nfs/dbraw/zinc/47/74/50/929477450.db2.gz SADCJEFDPTUJPQ-JOCHJYFZSA-N -1 1 412.921 4.295 20 0 HIADMM CCC[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1cccc(C(F)(F)F)c1 ZINC000524706146 929805832 /nfs/dbraw/zinc/80/58/32/929805832.db2.gz GVWVFMQYHMBJFQ-KRWDZBQOSA-N -1 1 420.435 4.271 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000525020436 929979652 /nfs/dbraw/zinc/97/96/52/929979652.db2.gz DWDWEQXGDJAOEO-UHFFFAOYSA-N -1 1 424.689 4.243 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)[C@H]3C)cc2)cc1C ZINC000525107680 930040662 /nfs/dbraw/zinc/04/06/62/930040662.db2.gz ZCOSWQYFVGFRQD-SJLPKXTDSA-N -1 1 400.544 4.365 20 0 HIADMM COc1cc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000525418632 930229931 /nfs/dbraw/zinc/22/99/31/930229931.db2.gz IDNPWZLGSCDLQV-LJQANCHMSA-N -1 1 417.531 4.216 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1 ZINC000525523406 930300764 /nfs/dbraw/zinc/30/07/64/930300764.db2.gz CDGOWTBNBNXGNC-UHFFFAOYSA-N -1 1 422.915 4.415 20 0 HIADMM O=S(=O)([N-]c1ccc(OCCc2ccccc2)nc1)c1ccc2ncccc2c1 ZINC000525523631 930300949 /nfs/dbraw/zinc/30/09/49/930300949.db2.gz MZZKTYXUYGSTDT-UHFFFAOYSA-N -1 1 405.479 4.052 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)cc1 ZINC000525525743 930302248 /nfs/dbraw/zinc/30/22/48/930302248.db2.gz ZYMMHMWXTKYEPJ-UHFFFAOYSA-N -1 1 411.523 4.393 20 0 HIADMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)c1 ZINC000525531703 930306420 /nfs/dbraw/zinc/30/64/20/930306420.db2.gz HWSMQAPYFLVGPP-UHFFFAOYSA-N -1 1 406.573 4.223 20 0 HIADMM Cn1ccc2c1cccc2C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525584037 930345946 /nfs/dbraw/zinc/34/59/46/930345946.db2.gz IDJDWYVZGRGDIZ-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM Cc1cccc([C@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1C ZINC000525586390 930347195 /nfs/dbraw/zinc/34/71/95/930347195.db2.gz GPOLNODVQKVXMW-JOCHJYFZSA-N -1 1 416.525 4.466 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]3Cc3ccccc3)c2)c1 ZINC000525615348 930362832 /nfs/dbraw/zinc/36/28/32/930362832.db2.gz RCIODXKEXIIOIT-OFNKIYASSA-N -1 1 420.534 4.157 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1ccsc1 ZINC000531112870 930925247 /nfs/dbraw/zinc/92/52/47/930925247.db2.gz KEHXEUSCJCECGQ-UHFFFAOYSA-N -1 1 408.888 4.160 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(F)ccc3O)cc2)c1 ZINC000531133632 930935127 /nfs/dbraw/zinc/93/51/27/930935127.db2.gz NEDSEVOFAOSEKM-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CC(C)c1nsc(N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000531407452 931046109 /nfs/dbraw/zinc/04/61/09/931046109.db2.gz SWYKNWWLDOPOTL-UHFFFAOYSA-N -1 1 402.545 4.099 20 0 HIADMM COc1ccsc1S(=O)(=O)[N-]c1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000531600185 931117600 /nfs/dbraw/zinc/11/76/00/931117600.db2.gz CGGXEIDNZUSCOL-UHFFFAOYSA-N -1 1 403.460 4.240 20 0 HIADMM CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc([O-])cc1 ZINC000531761936 931186783 /nfs/dbraw/zinc/18/67/83/931186783.db2.gz WJZNZHFHURMONC-UHFFFAOYSA-N -1 1 403.891 4.211 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)ccc1F ZINC000531780805 931194838 /nfs/dbraw/zinc/19/48/38/931194838.db2.gz PVBICKJNIVELDH-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000531780503 931194953 /nfs/dbraw/zinc/19/49/53/931194953.db2.gz KZOMLOMVXDBRMY-VWLOTQADSA-N -1 1 407.944 4.481 20 0 HIADMM O=C(Nc1ccc(F)cc1[O-])C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000532620846 931556839 /nfs/dbraw/zinc/55/68/39/931556839.db2.gz UMEUJIPTFFRVDT-UHFFFAOYSA-N -1 1 410.367 4.041 20 0 HIADMM Cc1cccc([C@H]2CCCN2C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000532621213 931556927 /nfs/dbraw/zinc/55/69/27/931556927.db2.gz NEUIZWUBGLTCGN-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC(F)F)C(C)C)cc2)c1C ZINC000532863615 931671142 /nfs/dbraw/zinc/67/11/42/931671142.db2.gz ZHWXSLXCNLWVLY-UHFFFAOYSA-N -1 1 410.486 4.220 20 0 HIADMM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000532907880 931687422 /nfs/dbraw/zinc/68/74/22/931687422.db2.gz XMWWTOSRFQRPQS-SSDOTTSWSA-N -1 1 400.772 4.135 20 0 HIADMM Cc1ccc2cccc(S(=O)(=O)Nc3ccc(C(=O)[O-])c(C(F)(F)F)c3)c2n1 ZINC000533201465 931807623 /nfs/dbraw/zinc/80/76/23/931807623.db2.gz MNSVQHOCZOBGQC-UHFFFAOYSA-N -1 1 410.373 4.061 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)cc1 ZINC000533894716 932086391 /nfs/dbraw/zinc/08/63/91/932086391.db2.gz DMJIXDLROWWXOE-UHFFFAOYSA-N -1 1 415.540 4.253 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cccs4)nc3c2)cc1OC ZINC000533938111 932112481 /nfs/dbraw/zinc/11/24/81/932112481.db2.gz MAAKXUGPYOQKSY-UHFFFAOYSA-N -1 1 415.496 4.109 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1Br ZINC000533939645 932113315 /nfs/dbraw/zinc/11/33/15/932113315.db2.gz RETFIWABUWRTMM-UHFFFAOYSA-N -1 1 402.220 4.064 20 0 HIADMM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000534603513 932588430 /nfs/dbraw/zinc/58/84/30/932588430.db2.gz UEFKIRBTYYRSLU-SECBINFHSA-N -1 1 411.854 4.360 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1CN(c1nccs1)C2 ZINC000534617115 932599576 /nfs/dbraw/zinc/59/95/76/932599576.db2.gz YUZRQERDLVSFRO-UHFFFAOYSA-N -1 1 405.932 4.426 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(C)c2Br)c1-c1ccccc1 ZINC000534681090 932650285 /nfs/dbraw/zinc/65/02/85/932650285.db2.gz JWSIEAGHVHAWEZ-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000534688485 932659415 /nfs/dbraw/zinc/65/94/15/932659415.db2.gz KUYXEGWIAWWROO-UHFFFAOYSA-N -1 1 405.435 4.170 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)c(Cl)c1Cl ZINC000534687538 932659629 /nfs/dbraw/zinc/65/96/29/932659629.db2.gz OENGLCJWYHCYII-UHFFFAOYSA-N -1 1 418.298 4.210 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC2(c3ccc(F)cc3F)CCCC2)c(=O)[n-]1 ZINC000534847684 932805660 /nfs/dbraw/zinc/80/56/60/932805660.db2.gz WSGQFLKTZNGFSH-UHFFFAOYSA-N -1 1 407.486 4.009 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(CO)ccc3C)ccc2C)cc1 ZINC000534958253 932859370 /nfs/dbraw/zinc/85/93/70/932859370.db2.gz WBUJCZRABBIMNF-UHFFFAOYSA-N -1 1 424.522 4.157 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccccc2)s1 ZINC000535395439 933113239 /nfs/dbraw/zinc/11/32/39/933113239.db2.gz VEPXVASZDLHTDM-UHFFFAOYSA-N -1 1 412.334 4.318 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC(F)F)CC3CCC3)c2)cc1 ZINC000535659003 933302833 /nfs/dbraw/zinc/30/28/33/933302833.db2.gz PPSUBILVWQWBQQ-UHFFFAOYSA-N -1 1 422.497 4.303 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)cc1 ZINC000535737729 933372543 /nfs/dbraw/zinc/37/25/43/933372543.db2.gz DVQKKIYFLHWNKL-UHFFFAOYSA-N -1 1 413.543 4.359 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)c1 ZINC000535852523 933435482 /nfs/dbraw/zinc/43/54/82/933435482.db2.gz DISYWXIXZZUDKN-UHFFFAOYSA-N -1 1 422.412 4.065 20 0 HIADMM O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1c(F)ccc([O-])c1F ZINC000536136449 933681589 /nfs/dbraw/zinc/68/15/89/933681589.db2.gz OPMMOEQLRBGDCI-UHFFFAOYSA-N -1 1 405.404 4.453 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccccc3Nc3ccccc3)cc2)CC1 ZINC000537347763 933728995 /nfs/dbraw/zinc/72/89/95/933728995.db2.gz OPKBNYBQYGTIAC-UHFFFAOYSA-N -1 1 422.506 4.436 20 0 HIADMM O=C(N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000537421263 933769747 /nfs/dbraw/zinc/76/97/47/933769747.db2.gz CRHCGMCCJCNPGQ-HOCLYGCPSA-N -1 1 401.388 4.008 20 0 HIADMM CCC[C@@H](CC)S(=O)(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000562451025 945079261 /nfs/dbraw/zinc/07/92/61/945079261.db2.gz XJRPUXWANBLVQC-GOSISDBHSA-N -1 1 424.588 4.425 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3C[C@@H](C)O[C@H](C)C3)ccc2C)c1 ZINC000537649867 938346329 /nfs/dbraw/zinc/34/63/29/938346329.db2.gz KGLIINKOCQBKRF-IAGOWNOFSA-N -1 1 416.543 4.246 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3[C@H](C)CC[C@@H]3CC)c2)cc1 ZINC000537920055 938413767 /nfs/dbraw/zinc/41/37/67/938413767.db2.gz GMIUCIIVUVXQMK-APWZRJJASA-N -1 1 416.543 4.289 20 0 HIADMM COCC1(C)CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000537995061 938455463 /nfs/dbraw/zinc/45/54/63/938455463.db2.gz IOOMSDWRJREKNH-UHFFFAOYSA-N -1 1 401.507 4.039 20 0 HIADMM COc1c(C)cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000538007434 938459506 /nfs/dbraw/zinc/45/95/06/938459506.db2.gz KLEVDKXLKVIVLM-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM C[C@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000538050244 938483546 /nfs/dbraw/zinc/48/35/46/938483546.db2.gz JVTWBMDHXSJUQJ-LLVKDONJSA-N -1 1 418.412 4.348 20 0 HIADMM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000538050924 938484124 /nfs/dbraw/zinc/48/41/24/938484124.db2.gz VKMLBELSTSEMGT-CQSZACIVSA-N -1 1 408.495 4.035 20 0 HIADMM CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000538093551 938500417 /nfs/dbraw/zinc/50/04/17/938500417.db2.gz FHLNUCNQHGLTRR-UHFFFAOYSA-N -1 1 402.438 4.475 20 0 HIADMM Cn1ncc2c1nc(Sc1nc3cc(Cl)ccc3n1Cc1ccccc1)[n-]c2=O ZINC000538892463 938731466 /nfs/dbraw/zinc/73/14/66/938731466.db2.gz BPQQHOZXQBFUOJ-UHFFFAOYSA-N -1 1 422.901 4.272 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1cccs1 ZINC000538938254 938741594 /nfs/dbraw/zinc/74/15/94/938741594.db2.gz HTSSBYAIHDYONS-UHFFFAOYSA-N -1 1 414.508 4.126 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000538970939 938754994 /nfs/dbraw/zinc/75/49/94/938754994.db2.gz BRWRVRYPQICAKP-LEWJYISDSA-N -1 1 424.497 4.046 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000539113146 938804979 /nfs/dbraw/zinc/80/49/79/938804979.db2.gz TXNOUZKMGPWTQI-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)ccc1C(C)C ZINC000539151863 938811940 /nfs/dbraw/zinc/81/19/40/938811940.db2.gz HMJIQBYGEGRFFX-AWEZNQCLSA-N -1 1 408.495 4.035 20 0 HIADMM Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c(C)c1 ZINC000539152707 938812178 /nfs/dbraw/zinc/81/21/78/938812178.db2.gz AXBVRWQAWUROCC-UHFFFAOYSA-N -1 1 420.506 4.114 20 0 HIADMM CCCCOc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1OCC ZINC000539152800 938812277 /nfs/dbraw/zinc/81/22/77/938812277.db2.gz OIAQFUHSIABLSP-UHFFFAOYSA-N -1 1 424.494 4.027 20 0 HIADMM Cc1ccc(C)c(SCc2cccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c2)c1 ZINC000539325252 938841715 /nfs/dbraw/zinc/84/17/15/938841715.db2.gz WALODMMYAXJFAA-LJQANCHMSA-N -1 1 407.543 4.129 20 0 HIADMM O=C(c1nc[n-]c1-c1nc(Cc2ccc(Br)s2)no1)c1ccccc1 ZINC000563524794 945210513 /nfs/dbraw/zinc/21/05/13/945210513.db2.gz HLHWAVFRPVLFJP-UHFFFAOYSA-N -1 1 415.272 4.106 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c(C)o1 ZINC000539552612 938878886 /nfs/dbraw/zinc/87/88/86/938878886.db2.gz QDZHXERLWVJWKZ-UHFFFAOYSA-N -1 1 409.336 4.228 20 0 HIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)ccc2[nH]1 ZINC000539597624 938885941 /nfs/dbraw/zinc/88/59/41/938885941.db2.gz QKDYSWMEZYTHDA-UHFFFAOYSA-N -1 1 414.380 4.049 20 0 HIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Br)ccc12 ZINC000539854723 938958829 /nfs/dbraw/zinc/95/88/29/938958829.db2.gz FXSYBIREENSTRI-UHFFFAOYSA-N -1 1 418.675 4.227 20 0 HIADMM CC(C)c1ccc([C@H](C)CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cc1 ZINC000539986960 939030155 /nfs/dbraw/zinc/03/01/55/939030155.db2.gz VUVUJKBSVZILDA-OAHLLOKOSA-N -1 1 416.543 4.089 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000540236599 939158224 /nfs/dbraw/zinc/15/82/24/939158224.db2.gz XPMBSXFSWSWCNV-SFHVURJKSA-N -1 1 406.573 4.009 20 0 HIADMM COCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000540449593 939254199 /nfs/dbraw/zinc/25/41/99/939254199.db2.gz FRLQNTJDLRHWKO-UHFFFAOYSA-N -1 1 407.804 4.081 20 0 HIADMM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCC1 ZINC000540482473 939269746 /nfs/dbraw/zinc/26/97/46/939269746.db2.gz JNNRINJYLXXNFG-JTQLQIEISA-N -1 1 400.755 4.114 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)sc1Cl ZINC000540482910 939270087 /nfs/dbraw/zinc/27/00/87/939270087.db2.gz CBEDFZMKHKYUJE-MFKMUULPSA-N -1 1 414.282 4.142 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCO[C@H](C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000540706079 939344344 /nfs/dbraw/zinc/34/43/44/939344344.db2.gz GTKWRMODXGQEAF-CABCVRRESA-N -1 1 422.934 4.203 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)nn1[C@H](C)C1CC1 ZINC000540785340 939371610 /nfs/dbraw/zinc/37/16/10/939371610.db2.gz BCXAAJAKQHBXCF-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(CC(F)(F)F)c2)c1 ZINC000541675905 939597665 /nfs/dbraw/zinc/59/76/65/939597665.db2.gz NAHWBQRRDDWFCK-UHFFFAOYSA-N -1 1 419.359 4.298 20 0 HIADMM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000541752621 939620827 /nfs/dbraw/zinc/62/08/27/939620827.db2.gz PWLRQKXOCGHMOR-VGOFRKELSA-N -1 1 421.522 4.106 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000541807239 939639061 /nfs/dbraw/zinc/63/90/61/939639061.db2.gz HAUHLZQPEKWCQR-UHFFFAOYSA-N -1 1 416.543 4.102 20 0 HIADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542486712 939831846 /nfs/dbraw/zinc/83/18/46/939831846.db2.gz URZOMSBFTYMCMB-SNVBAGLBSA-N -1 1 408.667 4.358 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(-c3ccccc3)s2)c1 ZINC000542610295 939848077 /nfs/dbraw/zinc/84/80/77/939848077.db2.gz KDGGZPIKKSTQRB-UHFFFAOYSA-N -1 1 420.450 4.317 20 0 HIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(C(F)F)c3Cl)c(F)cc2N1 ZINC000542725191 939857054 /nfs/dbraw/zinc/85/70/54/939857054.db2.gz WLWPNEYQHZNXJD-UHFFFAOYSA-N -1 1 404.797 4.102 20 0 HIADMM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1c(Cl)cccc1C(F)(F)F ZINC000543067887 939920719 /nfs/dbraw/zinc/92/07/19/939920719.db2.gz CCUKLCUYOJYUIN-UHFFFAOYSA-N -1 1 415.824 4.227 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000543165334 939983166 /nfs/dbraw/zinc/98/31/66/939983166.db2.gz BZQZDWNZWPBMBJ-UHFFFAOYSA-N -1 1 417.462 4.161 20 0 HIADMM CC(C)(C)n1cnc([N-]C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)n1 ZINC000543175151 939985515 /nfs/dbraw/zinc/98/55/15/939985515.db2.gz ODQFEMIUDAMOOP-UHFFFAOYSA-N -1 1 410.261 4.159 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCCCS3)c2)c1 ZINC000543326733 940032211 /nfs/dbraw/zinc/03/22/11/940032211.db2.gz OMFNXJHYYVTIHE-GOSISDBHSA-N -1 1 418.584 4.120 20 0 HIADMM Cc1noc(C2CC2)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000543421186 940059754 /nfs/dbraw/zinc/05/97/54/940059754.db2.gz ZJRPCTICCRHKCR-UHFFFAOYSA-N -1 1 411.483 4.222 20 0 HIADMM O=C(Nc1cnc2c(c1)CCCC2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000543929078 940250854 /nfs/dbraw/zinc/25/08/54/940250854.db2.gz OGBWIRKZHHCEQD-UHFFFAOYSA-N -1 1 407.495 4.014 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(C)C)no3)cc2)cc(C)c1F ZINC000563824556 945306256 /nfs/dbraw/zinc/30/62/56/945306256.db2.gz CVUXVJLYRLTVTG-UHFFFAOYSA-N -1 1 403.479 4.341 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)c(C)c1F ZINC000543948802 940261931 /nfs/dbraw/zinc/26/19/31/940261931.db2.gz HTNQTXNOFPCOPM-UHFFFAOYSA-N -1 1 402.447 4.476 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C12CCC(CC1)C2 ZINC000544238972 940364614 /nfs/dbraw/zinc/36/46/14/940364614.db2.gz BUSPUHBYVHYSPQ-UHFFFAOYSA-N -1 1 420.918 4.365 20 0 HIADMM Cc1noc(C2CC2)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000544398761 940411990 /nfs/dbraw/zinc/41/19/90/940411990.db2.gz GGNKDDYLSJVABR-UHFFFAOYSA-N -1 1 411.483 4.222 20 0 HIADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000544727403 940508043 /nfs/dbraw/zinc/50/80/43/940508043.db2.gz IOJMJJUGQVICNH-UHFFFAOYSA-N -1 1 400.525 4.462 20 0 HIADMM CC(C)[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)c2ccccc2N1 ZINC000544869157 940520617 /nfs/dbraw/zinc/52/06/17/940520617.db2.gz XOIBYRAQRRYXJG-OAHLLOKOSA-N -1 1 422.266 4.094 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CCC3CC3)cc2)cc1 ZINC000544875286 940521045 /nfs/dbraw/zinc/52/10/45/940521045.db2.gz CNRZPULYAMBDAO-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CSc1c(F)cc(NC(=O)c2ccc(I)c([O-])c2)cc1F ZINC000544877221 940521135 /nfs/dbraw/zinc/52/11/35/940521135.db2.gz LNNOWDDXOXPUSX-UHFFFAOYSA-N -1 1 421.206 4.249 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(CSc2ccc(Cl)cc2)no1 ZINC000544905905 940523633 /nfs/dbraw/zinc/52/36/33/940523633.db2.gz DWUUVPCZIPCWNE-SNVBAGLBSA-N -1 1 415.949 4.116 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(CSCCC(=O)OC)c2)cc(Cl)c1[O-] ZINC000545147603 940551271 /nfs/dbraw/zinc/55/12/71/940551271.db2.gz JCQJEGBNOKGVKB-UHFFFAOYSA-N -1 1 423.918 4.493 20 0 HIADMM CCOc1cc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000545170143 940553779 /nfs/dbraw/zinc/55/37/79/940553779.db2.gz QYELJYBUCNSYFQ-KBPBESRZSA-N -1 1 404.894 4.310 20 0 HIADMM O=S(=O)([N-]Cc1cc2cc(Br)ccc2[nH]1)c1cc2ccccc2o1 ZINC000545221678 940556841 /nfs/dbraw/zinc/55/68/41/940556841.db2.gz WHDNLXQQQAAOSU-UHFFFAOYSA-N -1 1 405.273 4.155 20 0 HIADMM COCCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000545373185 940566586 /nfs/dbraw/zinc/56/65/86/940566586.db2.gz WQNKMXBJHLTDIO-UHFFFAOYSA-N -1 1 424.950 4.450 20 0 HIADMM Cc1nc(C2CC2)oc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000545376103 940566822 /nfs/dbraw/zinc/56/68/22/940566822.db2.gz KLIZLNRHBAUUDT-UHFFFAOYSA-N -1 1 415.446 4.053 20 0 HIADMM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(I)c([O-])c2)cc1 ZINC000545494486 940572017 /nfs/dbraw/zinc/57/20/17/940572017.db2.gz GKJJZKODDFJQGS-CYBMUJFWSA-N -1 1 409.267 4.008 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(Cc4ccncc4)no3)ccc2C)cc1 ZINC000545593022 940576281 /nfs/dbraw/zinc/57/62/81/940576281.db2.gz DNMCVWLJVJBTOG-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4cncc(C)c4)no3)c2)cc1 ZINC000545608317 940576994 /nfs/dbraw/zinc/57/69/94/940576994.db2.gz LIBHPKVZLLCYHZ-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1cncc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4C)cc3)n2)c1 ZINC000545610694 940577129 /nfs/dbraw/zinc/57/71/29/940577129.db2.gz JWZBZMKMDKOETH-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(COCC4CC4)no3)ccc2C)cc1 ZINC000545772531 940584914 /nfs/dbraw/zinc/58/49/14/940584914.db2.gz LBAVWMBIFFSXJL-UHFFFAOYSA-N -1 1 413.499 4.081 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C(=O)OC)c2ccc3ccccc3c2)cc(Cl)c1[O-] ZINC000545845841 940630284 /nfs/dbraw/zinc/63/02/84/940630284.db2.gz HZGXTDFVTDNRKC-LJQANCHMSA-N -1 1 413.857 4.242 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C(=O)OC)c2ccc3ccccc3c2)cc(Cl)c1[O-] ZINC000545845840 940630671 /nfs/dbraw/zinc/63/06/71/940630671.db2.gz HZGXTDFVTDNRKC-IBGZPJMESA-N -1 1 413.857 4.242 20 0 HIADMM CCOc1cc(C(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)cc(Cl)c1[O-] ZINC000545853113 940636317 /nfs/dbraw/zinc/63/63/17/940636317.db2.gz ATKUNWPDCDZRAO-CYBMUJFWSA-N -1 1 424.875 4.242 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cc(Cl)c1[O-] ZINC000545856210 940639853 /nfs/dbraw/zinc/63/98/53/940639853.db2.gz BYMKYQAFEURULD-CQSZACIVSA-N -1 1 408.857 4.427 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc(Cl)c1[O-] ZINC000545878430 940650290 /nfs/dbraw/zinc/65/02/90/940650290.db2.gz NYCZJWJNBXJDTE-MRXNPFEDSA-N -1 1 416.865 4.016 20 0 HIADMM O=C(NCc1csc2ccccc12)c1ccc(I)c([O-])c1 ZINC000546160470 940717376 /nfs/dbraw/zinc/71/73/76/940717376.db2.gz YTXSZQQNYZTPSM-UHFFFAOYSA-N -1 1 409.248 4.142 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1-c1ncco1 ZINC000546166556 940720103 /nfs/dbraw/zinc/72/01/03/940720103.db2.gz AUSGKEKTKNMNCQ-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)[C@@H](c2ccco2)C1 ZINC000546201122 940727604 /nfs/dbraw/zinc/72/76/04/940727604.db2.gz RIRMGDUUPKYKNO-BXUZGUMPSA-N -1 1 411.239 4.203 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CCC3CC3)cc2)cc1 ZINC000546207714 940729403 /nfs/dbraw/zinc/72/94/03/940729403.db2.gz TYUJJXMXMSPRGN-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CN(C(=O)c1ccc(I)c([O-])c1)c1ccc(F)c(Cl)c1 ZINC000546208554 940729977 /nfs/dbraw/zinc/72/99/77/940729977.db2.gz RTQWZCAPQCJWEX-UHFFFAOYSA-N -1 1 405.594 4.066 20 0 HIADMM CCSCC[C@@H](C)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546216543 940732168 /nfs/dbraw/zinc/73/21/68/940732168.db2.gz KGBHBQQLSAXMQS-MRXNPFEDSA-N -1 1 421.588 4.483 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4cncc(C)c4)no3)cc2)cc1 ZINC000546311961 940777852 /nfs/dbraw/zinc/77/78/52/940777852.db2.gz AZSHPJIDHNDHNO-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM COCCCCc1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n1 ZINC000546390075 940808662 /nfs/dbraw/zinc/80/86/62/940808662.db2.gz UOMJXPRSRNQUNU-UHFFFAOYSA-N -1 1 415.515 4.123 20 0 HIADMM Cc1cc(C)nc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)c1 ZINC000546437541 940819965 /nfs/dbraw/zinc/81/99/65/940819965.db2.gz BFQNFQMXJHDOGB-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CC[C@H](C)Oc1ccc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)cc1 ZINC000546455894 940824476 /nfs/dbraw/zinc/82/44/76/940824476.db2.gz FWNNLPFEUWHORP-AWEZNQCLSA-N -1 1 417.469 4.371 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccccc3C[S@@](C)=O)cc2)c1 ZINC000546536986 940846729 /nfs/dbraw/zinc/84/67/29/940846729.db2.gz HCYOCBNGVQTOAR-HHHXNRCGSA-N -1 1 415.536 4.467 20 0 HIADMM CCOc1cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc(Cl)c1[O-] ZINC000546563112 940854455 /nfs/dbraw/zinc/85/44/55/940854455.db2.gz ZJKVCPRJTBADBW-UHFFFAOYSA-N -1 1 408.241 4.078 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000546671250 940867813 /nfs/dbraw/zinc/86/78/13/940867813.db2.gz MKENHJNRSTYSSK-SFTDATJTSA-N -1 1 410.470 4.369 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CC2(CCC2)c2c1cccc2F ZINC000546898598 940905568 /nfs/dbraw/zinc/90/55/68/940905568.db2.gz RZVABMNARRLZOP-UHFFFAOYSA-N -1 1 423.225 4.218 20 0 HIADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000564035177 945359141 /nfs/dbraw/zinc/35/91/41/945359141.db2.gz MZGSETSPOAELHZ-INIZCTEOSA-N -1 1 420.531 4.277 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(C3CC3)no2)c1)c1ccc(Br)cc1 ZINC000547020404 940960485 /nfs/dbraw/zinc/96/04/85/940960485.db2.gz OKRQUYCOWKPJAP-UHFFFAOYSA-N -1 1 420.288 4.177 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(COCC4CC4)no3)cc2)c1 ZINC000547150012 941012241 /nfs/dbraw/zinc/01/22/41/941012241.db2.gz TZBIKZIZJJVFAM-UHFFFAOYSA-N -1 1 413.499 4.081 20 0 HIADMM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1c([O-])cc(Br)cc1Cl ZINC000564067857 945369483 /nfs/dbraw/zinc/36/94/83/945369483.db2.gz SBOQUUMOVYOHER-LLVKDONJSA-N -1 1 423.694 4.338 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc(Cl)c1[O-] ZINC000547287734 941052621 /nfs/dbraw/zinc/05/26/21/941052621.db2.gz NUPFLBSLWRBXMT-UHFFFAOYSA-N -1 1 411.845 4.344 20 0 HIADMM Cc1nnc(-c2cccc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)c2)o1 ZINC000547720953 941073322 /nfs/dbraw/zinc/07/33/22/941073322.db2.gz ATJNTWXPTSKBKY-UHFFFAOYSA-N -1 1 420.469 4.065 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC2(CC2)c2ccccc21 ZINC000548477205 941107366 /nfs/dbraw/zinc/10/73/66/941107366.db2.gz UZAQMXOIASWGMU-UHFFFAOYSA-N -1 1 404.491 4.179 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)n[n-]1 ZINC000548723721 941121566 /nfs/dbraw/zinc/12/15/66/941121566.db2.gz JWYONFNFIAYURW-AABGKKOBSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)[n-]1 ZINC000548723721 941121568 /nfs/dbraw/zinc/12/15/68/941121568.db2.gz JWYONFNFIAYURW-AABGKKOBSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)n1 ZINC000548723721 941121569 /nfs/dbraw/zinc/12/15/69/941121569.db2.gz JWYONFNFIAYURW-AABGKKOBSA-N -1 1 420.513 4.142 20 0 HIADMM CO[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000549260706 941174791 /nfs/dbraw/zinc/17/47/91/941174791.db2.gz HPGZJCZVCDQZTF-OALUTQOASA-N -1 1 422.934 4.285 20 0 HIADMM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000549260707 941174880 /nfs/dbraw/zinc/17/48/80/941174880.db2.gz HPGZJCZVCDQZTF-RBUKOAKNSA-N -1 1 422.934 4.285 20 0 HIADMM CC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cs1 ZINC000549740654 941206053 /nfs/dbraw/zinc/20/60/53/941206053.db2.gz FFRBIJLFSDCGBK-UHFFFAOYSA-N -1 1 400.481 4.004 20 0 HIADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000550053458 941274577 /nfs/dbraw/zinc/27/45/77/941274577.db2.gz ZQAIDCIPGNFEMS-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)cc1 ZINC000551347027 941458334 /nfs/dbraw/zinc/45/83/34/941458334.db2.gz AZYNHSKSAWXFHV-UHFFFAOYSA-N -1 1 413.499 4.495 20 0 HIADMM CCc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n1 ZINC000552182127 941597619 /nfs/dbraw/zinc/59/76/19/941597619.db2.gz ISKOYKPHWMROBN-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM C[C@H]1CC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000552411394 941662016 /nfs/dbraw/zinc/66/20/16/941662016.db2.gz YRRWKTQJJIVEPF-GTNSWQLSSA-N -1 1 413.326 4.323 20 0 HIADMM C[C@H]1CC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000552411392 941662319 /nfs/dbraw/zinc/66/23/19/941662319.db2.gz YRRWKTQJJIVEPF-APPDUMDISA-N -1 1 413.326 4.323 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3c(O)cccc3Cl)c2)cc1 ZINC000552781744 941760964 /nfs/dbraw/zinc/76/09/64/941760964.db2.gz VWOMOMKAQJVCQU-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000553225693 941852846 /nfs/dbraw/zinc/85/28/46/941852846.db2.gz FVWXSQMXOHEVCH-KBXCAEBGSA-N -1 1 415.559 4.154 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000553331678 941868391 /nfs/dbraw/zinc/86/83/91/941868391.db2.gz RSKFBQADQVCFTD-HRAATJIYSA-N -1 1 402.498 4.095 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000553911632 941996381 /nfs/dbraw/zinc/99/63/81/941996381.db2.gz CDBWGBDASLPPCE-OAHLLOKOSA-N -1 1 423.991 4.192 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000554067582 942029041 /nfs/dbraw/zinc/02/90/41/942029041.db2.gz QJQGVICDZPKSNL-UHFFFAOYSA-N -1 1 416.525 4.047 20 0 HIADMM CC(C)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1F ZINC000554072740 942029460 /nfs/dbraw/zinc/02/94/60/942029460.db2.gz ZIAMYRVCHFMUSL-UHFFFAOYSA-N -1 1 412.486 4.292 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000554426091 942138569 /nfs/dbraw/zinc/13/85/69/942138569.db2.gz DBEQTEZYVTZMQF-GFCCVEGCSA-N -1 1 424.831 4.138 20 0 HIADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1csc2ccccc12 ZINC000555085186 942381695 /nfs/dbraw/zinc/38/16/95/942381695.db2.gz QMYUZGGBYFCYEP-UHFFFAOYSA-N -1 1 415.323 4.125 20 0 HIADMM CC(C)c1noc(Cc2ccc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)cc2)n1 ZINC000555428241 942527988 /nfs/dbraw/zinc/52/79/88/942527988.db2.gz MNACBYDDIQWQMP-UHFFFAOYSA-N -1 1 411.405 4.002 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(Cc4cccnc4)no3)cc2)cc1C ZINC000556309559 942838361 /nfs/dbraw/zinc/83/83/61/942838361.db2.gz PWKSTTJPXDHDNM-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3cccc(Cl)c3)c2)c1 ZINC000556320115 942840531 /nfs/dbraw/zinc/84/05/31/942840531.db2.gz VPLJYXJYEOLQDE-UHFFFAOYSA-N -1 1 421.927 4.211 20 0 HIADMM O=C([O-])C[C@@H](NCc1cnn(Cc2ccc(F)cc2)c1)c1cccc(C(F)(F)F)c1 ZINC000556322264 942840665 /nfs/dbraw/zinc/84/06/65/942840665.db2.gz ULWUFNMNJMKHPV-LJQANCHMSA-N -1 1 421.394 4.395 20 0 HIADMM CCc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000557005906 942991976 /nfs/dbraw/zinc/99/19/76/942991976.db2.gz MSDIXOOQSILEAS-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]1c1cccnc1 ZINC000557379551 943093390 /nfs/dbraw/zinc/09/33/90/943093390.db2.gz JLZAQGULGKIBOE-OAQYLSRUSA-N -1 1 421.522 4.106 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000557639201 943243950 /nfs/dbraw/zinc/24/39/50/943243950.db2.gz KKVVQIKNSASYBC-VGSWGCGISA-N -1 1 416.525 4.485 20 0 HIADMM COc1cc(C)c(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c(C)c1C ZINC000557985889 943347475 /nfs/dbraw/zinc/34/74/75/943347475.db2.gz VIWOVGZTNCDVKT-UHFFFAOYSA-N -1 1 406.486 4.058 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000558143142 943395805 /nfs/dbraw/zinc/39/58/05/943395805.db2.gz LERRWOICAXBMFV-GOSISDBHSA-N -1 1 416.525 4.313 20 0 HIADMM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1ncsc1C(F)(F)F ZINC000558762761 943650129 /nfs/dbraw/zinc/65/01/29/943650129.db2.gz ZFVFEXGLMYZLOJ-UHFFFAOYSA-N -1 1 406.407 4.163 20 0 HIADMM C[C@H]1CN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c2ccccc21 ZINC000559300794 943892536 /nfs/dbraw/zinc/89/25/36/943892536.db2.gz OYINTTQIZLAHMY-INIZCTEOSA-N -1 1 424.497 4.319 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(F)cc(F)c3F)c2)cc1 ZINC000562042668 944908549 /nfs/dbraw/zinc/90/85/49/944908549.db2.gz IRENHDXKGROQQK-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1occc1-c1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000562123332 944955143 /nfs/dbraw/zinc/95/51/43/944955143.db2.gz RUTARQUDXUOFHD-UHFFFAOYSA-N -1 1 413.430 4.169 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000562207977 945018769 /nfs/dbraw/zinc/01/87/69/945018769.db2.gz SUMXUVVTRLILRH-MRXNPFEDSA-N -1 1 401.768 4.158 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)ccc1C(N)=O ZINC000564549013 945670581 /nfs/dbraw/zinc/67/05/81/945670581.db2.gz GERSVXGECNQRBJ-UHFFFAOYSA-N -1 1 416.886 4.340 20 0 HIADMM O=C(Nc1cccc(-c2nnco2)c1)c1c([O-])cnc2c(Br)cccc21 ZINC000564615430 945707768 /nfs/dbraw/zinc/70/77/68/945707768.db2.gz JKQOSYPBKJKBKM-UHFFFAOYSA-N -1 1 411.215 4.005 20 0 HIADMM O=C(c1ccccc1OCc1ccccc1Cl)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000565128562 945781637 /nfs/dbraw/zinc/78/16/37/945781637.db2.gz AWMXDVXMZIRCBF-UHFFFAOYSA-N -1 1 413.861 4.027 20 0 HIADMM O=C(c1ccccc1OCc1ccccc1Cl)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000565128562 945781644 /nfs/dbraw/zinc/78/16/44/945781644.db2.gz AWMXDVXMZIRCBF-UHFFFAOYSA-N -1 1 413.861 4.027 20 0 HIADMM Cc1ccc(NC(=O)CC2(C(F)(F)F)CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000566350429 946007230 /nfs/dbraw/zinc/00/72/30/946007230.db2.gz SMCXIOIPEQIZCH-UHFFFAOYSA-N -1 1 412.433 4.467 20 0 HIADMM C[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000566377919 946013698 /nfs/dbraw/zinc/01/36/98/946013698.db2.gz TYTUMKNCQUPQBT-BUXKBTBVSA-N -1 1 400.837 4.335 20 0 HIADMM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)c(C(F)(F)F)n1 ZINC000566986904 946200657 /nfs/dbraw/zinc/20/06/57/946200657.db2.gz NYRODZAUQGGOAB-BXUZGUMPSA-N -1 1 413.465 4.017 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000567360127 946315677 /nfs/dbraw/zinc/31/56/77/946315677.db2.gz OIPGTBSJWVGEOI-AWEZNQCLSA-N -1 1 415.453 4.170 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cc4ccccc4[nH]3)c2)cc1 ZINC000568612850 946624640 /nfs/dbraw/zinc/62/46/40/946624640.db2.gz IPWXWOIBRRKFHX-UHFFFAOYSA-N -1 1 419.506 4.207 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)c1 ZINC000568820365 946718674 /nfs/dbraw/zinc/71/86/74/946718674.db2.gz KHSGJMIZWGGPBL-UHFFFAOYSA-N -1 1 423.947 4.172 20 0 HIADMM O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)c1cncc([O-])c1 ZINC000569371630 946861791 /nfs/dbraw/zinc/86/17/91/946861791.db2.gz AFEZRTQFWGSKTO-UHFFFAOYSA-N -1 1 413.311 4.490 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1C(=O)N1CCCCC1 ZINC000569404244 946868899 /nfs/dbraw/zinc/86/88/99/946868899.db2.gz JUGADXZWRKPRPW-UHFFFAOYSA-N -1 1 408.470 4.360 20 0 HIADMM O=S(=O)(Cc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000570126795 947106135 /nfs/dbraw/zinc/10/61/35/947106135.db2.gz LYNJGKGKVBRZGK-UHFFFAOYSA-N -1 1 401.797 4.118 20 0 HIADMM O=S(=O)(Cc1ccccc1C(F)(F)F)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000570126795 947106147 /nfs/dbraw/zinc/10/61/47/947106147.db2.gz LYNJGKGKVBRZGK-UHFFFAOYSA-N -1 1 401.797 4.118 20 0 HIADMM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000570896552 947389607 /nfs/dbraw/zinc/38/96/07/947389607.db2.gz LUVPUOATJICYCE-UHFFFAOYSA-N -1 1 408.401 4.214 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1 ZINC000571012344 947436130 /nfs/dbraw/zinc/43/61/30/947436130.db2.gz JZFYSQZNGWCDPK-UHFFFAOYSA-N -1 1 402.903 4.273 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)c1 ZINC000571012312 947436470 /nfs/dbraw/zinc/43/64/70/947436470.db2.gz JGFCHCKGVNZHKN-UHFFFAOYSA-N -1 1 410.923 4.190 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccc(C)c(C)c2)c(C(F)(F)F)c1 ZINC000571597243 947723109 /nfs/dbraw/zinc/72/31/09/947723109.db2.gz IECHEHXJNBHBAR-UHFFFAOYSA-N -1 1 400.422 4.223 20 0 HIADMM CCOc1cc(-c2noc(-c3cnn(-c4ccccc4F)c3)n2)cc(Cl)c1[O-] ZINC000572204654 947862263 /nfs/dbraw/zinc/86/22/63/947862263.db2.gz SHCKUYWKUHJRJH-UHFFFAOYSA-N -1 1 400.797 4.486 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)ccc2o1 ZINC000572657503 947970912 /nfs/dbraw/zinc/97/09/12/947970912.db2.gz MVPIPJYLZQRHRI-UHFFFAOYSA-N -1 1 414.405 4.145 20 0 HIADMM CC1(C)Cc2cc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)sc2-c2ccccc21 ZINC000572682820 947982697 /nfs/dbraw/zinc/98/26/97/947982697.db2.gz XEPARBBKUULJQJ-ZDUSSCGKSA-N -1 1 409.511 4.357 20 0 HIADMM Cc1cccc([C@@H]2CCCN2C(=O)c2c([O-])cnc3c(Br)cccc32)n1 ZINC000572814999 948017613 /nfs/dbraw/zinc/01/76/13/948017613.db2.gz UOGLHOAPQPHHMG-INIZCTEOSA-N -1 1 412.287 4.384 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(Cl)cc(COC)c3)c2)n1 ZINC000573259736 948128145 /nfs/dbraw/zinc/12/81/45/948128145.db2.gz LLVLKXAKJAWRPA-UHFFFAOYSA-N -1 1 421.906 4.208 20 0 HIADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CCCCC1 ZINC000574372839 948428524 /nfs/dbraw/zinc/42/85/24/948428524.db2.gz KXEXAGDNLAVTOL-AWEZNQCLSA-N -1 1 422.497 4.464 20 0 HIADMM O=c1nc(NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)nc2[nH][n-]cc1-2 ZINC000574467011 948448900 /nfs/dbraw/zinc/44/89/00/948448900.db2.gz DRWIMCZLPGOTQJ-UHFFFAOYSA-N -1 1 402.241 4.143 20 0 HIADMM Cc1ccc(-c2nc(S(=O)(=O)Cc3ncc(-c4cccc(Cl)c4)o3)n[n-]2)cc1 ZINC000574479233 948453149 /nfs/dbraw/zinc/45/31/49/948453149.db2.gz OZVQXRDZTUESIJ-UHFFFAOYSA-N -1 1 414.874 4.062 20 0 HIADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1F ZINC000574683133 948505207 /nfs/dbraw/zinc/50/52/07/948505207.db2.gz QXFNCGIKEWOGPH-UHFFFAOYSA-N -1 1 420.849 4.171 20 0 HIADMM COc1ccc(NC(=O)c2cncc([O-])c2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000574707709 948507578 /nfs/dbraw/zinc/50/75/78/948507578.db2.gz NBYGZLVRKGCIBH-UHFFFAOYSA-N -1 1 415.808 4.093 20 0 HIADMM Cn1ccc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1C1CCC1 ZINC000575435272 948667708 /nfs/dbraw/zinc/66/77/08/948667708.db2.gz IZMWQBCVONFPOM-UHFFFAOYSA-N -1 1 423.538 4.023 20 0 HIADMM CC(C)CCOC1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000576049025 948816116 /nfs/dbraw/zinc/81/61/16/948816116.db2.gz CGPPGKWILNLKQC-UHFFFAOYSA-N -1 1 421.335 4.370 20 0 HIADMM CC1=C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000436009690 861300281 /nfs/dbraw/zinc/30/02/81/861300281.db2.gz IIGKNLILCASBKU-CQSZACIVSA-N -1 1 404.919 4.179 20 0 HIADMM CC1=C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000436011259 861302353 /nfs/dbraw/zinc/30/23/53/861302353.db2.gz ASUMAAQIZGPPFQ-AWEZNQCLSA-N -1 1 404.919 4.179 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1Br ZINC000436012676 861304914 /nfs/dbraw/zinc/30/49/14/861304914.db2.gz KOOVCAHQFZOEMA-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM COc1cc(NC(=O)c2c(C)c(C)oc2-c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000436081359 861361997 /nfs/dbraw/zinc/36/19/97/861361997.db2.gz HOEKJQZLSMQGRB-UHFFFAOYSA-N -1 1 414.483 4.196 20 0 HIADMM CCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)n1 ZINC000436246727 861555622 /nfs/dbraw/zinc/55/56/22/861555622.db2.gz MDFRSNBBHFFNET-UHFFFAOYSA-N -1 1 400.529 4.486 20 0 HIADMM CCSc1nnc([N-]C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)s1 ZINC000007435548 845332599 /nfs/dbraw/zinc/33/25/99/845332599.db2.gz KEGUYLXUUQFNKH-UHFFFAOYSA-N -1 1 408.530 4.043 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1 ZINC000007726315 845398926 /nfs/dbraw/zinc/39/89/26/845398926.db2.gz XEXVUIVGDWBUAJ-UHFFFAOYSA-N -1 1 402.497 4.096 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000008033268 845464179 /nfs/dbraw/zinc/46/41/79/845464179.db2.gz MXFOHRGNTUFEJK-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCCC[C@H]3C)c2)cc1F ZINC000008033566 845466018 /nfs/dbraw/zinc/46/60/18/845466018.db2.gz QVMAKQUEXRDXHP-QRWLVFNGSA-N -1 1 404.507 4.243 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccsc3)c2)c1 ZINC000008172591 845484251 /nfs/dbraw/zinc/48/42/51/845484251.db2.gz PIEARPVXASCRAA-UHFFFAOYSA-N -1 1 400.525 4.130 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCCCC3)c2)c1 ZINC000008181498 845487981 /nfs/dbraw/zinc/48/79/81/845487981.db2.gz GFPHQQRPOJVGIQ-UHFFFAOYSA-N -1 1 406.935 4.465 20 0 HIADMM CCc1cc2c(COC(=O)c3ccc(Br)s3)cc(=O)oc2cc1[O-] ZINC000008757472 845549501 /nfs/dbraw/zinc/54/95/01/845549501.db2.gz DQKGFLZLTZNTLD-UHFFFAOYSA-N -1 1 409.257 4.242 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3(c4ccccc4)CC3)c2)cc1 ZINC000009760902 845588675 /nfs/dbraw/zinc/58/86/75/845588675.db2.gz LDZJGHRNZMHRCH-UHFFFAOYSA-N -1 1 420.534 4.257 20 0 HIADMM CCCN(Cc1cc(=O)oc2c(C)c(C)ccc12)Cc1nc(=O)c2sccc2[n-]1 ZINC000010088689 845618297 /nfs/dbraw/zinc/61/82/97/845618297.db2.gz KDIQYUKLAOPVLA-UHFFFAOYSA-N -1 1 409.511 4.120 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 ZINC000010845823 845715058 /nfs/dbraw/zinc/71/50/58/845715058.db2.gz WSNZEXOABQROSF-UHFFFAOYSA-N -1 1 406.454 4.285 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCc2csc(-c3ccccc3)n2)c1 ZINC000010894008 845722782 /nfs/dbraw/zinc/72/27/82/845722782.db2.gz YDSZGRJRMNIMCV-UHFFFAOYSA-N -1 1 421.551 4.356 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000011977868 845845854 /nfs/dbraw/zinc/84/58/54/845845854.db2.gz UMRDTKSHJUEYCP-UHFFFAOYSA-N -1 1 417.538 4.372 20 0 HIADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000013279003 845912632 /nfs/dbraw/zinc/91/26/32/845912632.db2.gz LGADBRTYXUWLTN-UHFFFAOYSA-N -1 1 423.874 4.271 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000015268562 846027089 /nfs/dbraw/zinc/02/70/89/846027089.db2.gz DSRPIWHMRLSLJK-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM COc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015353051 846039194 /nfs/dbraw/zinc/03/91/94/846039194.db2.gz LKUULHUXFZLXHA-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM COc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC000015352675 846039369 /nfs/dbraw/zinc/03/93/69/846039369.db2.gz ARLPLMQCPQHMGL-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000015354389 846039415 /nfs/dbraw/zinc/03/94/15/846039415.db2.gz XUALEAVCIRTNTG-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000015421807 846047259 /nfs/dbraw/zinc/04/72/59/846047259.db2.gz WBCLEJIPDXUUOI-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000015439598 846049202 /nfs/dbraw/zinc/04/92/02/846049202.db2.gz KBZPWBVKDQOJPE-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000015436372 846049399 /nfs/dbraw/zinc/04/93/99/846049399.db2.gz GOWURYBGJNZXKS-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000015439617 846049611 /nfs/dbraw/zinc/04/96/11/846049611.db2.gz ZBSYUXBBJYJRRK-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000015539713 846060442 /nfs/dbraw/zinc/06/04/42/846060442.db2.gz OIVKZWYHMFDYQM-SFHVURJKSA-N -1 1 408.523 4.411 20 0 HIADMM O=C(Nc1ccc(F)cc1F)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015564126 846062925 /nfs/dbraw/zinc/06/29/25/846062925.db2.gz CZSSZXWRYKHGPS-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000015567539 846063916 /nfs/dbraw/zinc/06/39/16/846063916.db2.gz ZTPDIRSWEKYWES-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM O=C(Nc1ccc(F)c(F)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015588771 846068135 /nfs/dbraw/zinc/06/81/35/846068135.db2.gz DBCPKWZQFZXYRY-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2)cc1 ZINC000015792390 846091880 /nfs/dbraw/zinc/09/18/80/846091880.db2.gz NKYHCWWAANFMQT-CKJXQJPGSA-N -1 1 416.543 4.051 20 0 HIADMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000015796605 846091938 /nfs/dbraw/zinc/09/19/38/846091938.db2.gz GRPJELZUGOOEKK-ZDUSSCGKSA-N -1 1 410.898 4.295 20 0 HIADMM COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000015985609 846108328 /nfs/dbraw/zinc/10/83/28/846108328.db2.gz OLEXUDZMWGSFFI-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM CCOc1ccc(O[C@H](C)C(=O)N[N-]C(=O)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000016056964 846117025 /nfs/dbraw/zinc/11/70/25/846117025.db2.gz KNHWGLRLPMUYEO-CYBMUJFWSA-N -1 1 416.861 4.022 20 0 HIADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016265560 846144318 /nfs/dbraw/zinc/14/43/18/846144318.db2.gz JRAYXRWDXOYEEZ-MRXNPFEDSA-N -1 1 412.486 4.460 20 0 HIADMM C[C@H](CCc1ccccc1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000017156315 846233707 /nfs/dbraw/zinc/23/37/07/846233707.db2.gz AWENLRVFACTCMP-GOSISDBHSA-N -1 1 408.523 4.239 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 ZINC000017167462 846235064 /nfs/dbraw/zinc/23/50/64/846235064.db2.gz QYVKCNHZZDNYNX-IRXDYDNUSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)o1 ZINC000017957519 846280052 /nfs/dbraw/zinc/28/00/52/846280052.db2.gz VBLWDCIRHAZZKJ-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000018017879 846284524 /nfs/dbraw/zinc/28/45/24/846284524.db2.gz VRVRZDRBABBSQJ-UHFFFAOYSA-N -1 1 403.507 4.113 20 0 HIADMM Cc1c2ccc3ccccc3c2oc1C(=O)[N-]NC(=O)[C@@H](C)Oc1ccccc1F ZINC000018053767 846289537 /nfs/dbraw/zinc/28/95/37/846289537.db2.gz SXPILBYQBMECFQ-CQSZACIVSA-N -1 1 406.413 4.262 20 0 HIADMM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000018124989 846299448 /nfs/dbraw/zinc/29/94/48/846299448.db2.gz XXMCFJKAJTYJIS-INIZCTEOSA-N -1 1 412.486 4.460 20 0 HIADMM CCN(Cc1cccc(F)c1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000018150866 846303017 /nfs/dbraw/zinc/30/30/17/846303017.db2.gz KDHYYBAGEDWYII-UHFFFAOYSA-N -1 1 412.486 4.289 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCSCc2ccccc2)cc1 ZINC000018150181 846303095 /nfs/dbraw/zinc/30/30/95/846303095.db2.gz OUSXABPNVYBOQK-UHFFFAOYSA-N -1 1 412.584 4.356 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CC[C@H]3C)cc2)c1C ZINC000436348660 861665815 /nfs/dbraw/zinc/66/58/15/861665815.db2.gz AKRKMDYXOYVRCW-NVXWUHKLSA-N -1 1 400.544 4.365 20 0 HIADMM O=C(Nc1cnc2ccccc2c1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021136251 846408872 /nfs/dbraw/zinc/40/88/72/846408872.db2.gz JOADWWXDKDPBQC-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)C3CCCCC3)c2)c1 ZINC000021332907 846430661 /nfs/dbraw/zinc/43/06/61/846430661.db2.gz HNOIHJPZEGLLIH-UHFFFAOYSA-N -1 1 415.511 4.102 20 0 HIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)cc1 ZINC000021867370 846505591 /nfs/dbraw/zinc/50/55/91/846505591.db2.gz SNQYPHOHSIKINN-UHFFFAOYSA-N -1 1 416.572 4.356 20 0 HIADMM Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000021877351 846505727 /nfs/dbraw/zinc/50/57/27/846505727.db2.gz FDTKPUBPLLLJPZ-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccc(OCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c(C)c1 ZINC000022043759 846524365 /nfs/dbraw/zinc/52/43/65/846524365.db2.gz MMLONZXCPFFFHV-UHFFFAOYSA-N -1 1 420.490 4.391 20 0 HIADMM O=C(CSc1cccc(C(F)(F)F)c1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000022458609 846573215 /nfs/dbraw/zinc/57/32/15/846573215.db2.gz ZVNAPVVYHMNJQH-UHFFFAOYSA-N -1 1 405.344 4.356 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1C ZINC000023155364 846664878 /nfs/dbraw/zinc/66/48/78/846664878.db2.gz MXJDBRAVAKMJMK-HZPDHXFCSA-N -1 1 400.544 4.222 20 0 HIADMM COc1ccc(CN(C)C(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)cc1F ZINC000023734814 846742899 /nfs/dbraw/zinc/74/28/99/846742899.db2.gz NIXSLSWUVVFVJO-UHFFFAOYSA-N -1 1 414.506 4.113 20 0 HIADMM CC[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000023979531 846767196 /nfs/dbraw/zinc/76/71/96/846767196.db2.gz HSJGTXMTJPKCDW-FQEVSTJZSA-N -1 1 414.527 4.095 20 0 HIADMM O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000024026361 846777095 /nfs/dbraw/zinc/77/70/95/846777095.db2.gz PGEZQVSTGMSHGJ-QFIPXVFZSA-N -1 1 406.507 4.369 20 0 HIADMM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000024242030 846805435 /nfs/dbraw/zinc/80/54/35/846805435.db2.gz KBXHKUWGEGJYAN-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM C[C@@H](c1cccs1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000024237328 846805810 /nfs/dbraw/zinc/80/58/10/846805810.db2.gz FJFSDYQJVFHGFM-HNNXBMFYSA-N -1 1 400.525 4.382 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 ZINC000024468790 846829540 /nfs/dbraw/zinc/82/95/40/846829540.db2.gz FLLIXSVBKGDLGM-UHFFFAOYSA-N -1 1 423.542 4.083 20 0 HIADMM CCN(Cc1cccs1)C(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000025288100 846953420 /nfs/dbraw/zinc/95/34/20/846953420.db2.gz QSUHRRXDQFNFPC-UHFFFAOYSA-N -1 1 402.545 4.117 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000025590213 847004992 /nfs/dbraw/zinc/00/49/92/847004992.db2.gz KSCYWFCDMSTQNB-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)C1(c2cccc(C)c2)CCC1 ZINC000025603018 847006078 /nfs/dbraw/zinc/00/60/78/847006078.db2.gz PFYHQVSLBCHVHB-UHFFFAOYSA-N -1 1 405.523 4.310 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000025719846 847026304 /nfs/dbraw/zinc/02/63/04/847026304.db2.gz SCJOQKXLQDJZOZ-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1OC ZINC000027128245 847251827 /nfs/dbraw/zinc/25/18/27/847251827.db2.gz WBVQHBKGCWQYDJ-OAQYLSRUSA-N -1 1 424.522 4.377 20 0 HIADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000027697416 847339901 /nfs/dbraw/zinc/33/99/01/847339901.db2.gz XGDOIHMZLAXJEX-UTKZUKDTSA-N -1 1 400.544 4.494 20 0 HIADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)C1 ZINC000028199779 847395993 /nfs/dbraw/zinc/39/59/93/847395993.db2.gz HBGBPQFAANKFOW-ZIAGYGMSSA-N -1 1 424.925 4.398 20 0 HIADMM Cc1noc(C)c1COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000028202207 847396109 /nfs/dbraw/zinc/39/61/09/847396109.db2.gz QJUUGAVRMOECEL-UHFFFAOYSA-N -1 1 414.483 4.066 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000028494904 847428893 /nfs/dbraw/zinc/42/88/93/847428893.db2.gz LKZJBAVWQVFMOJ-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2N2CCCC2=O)c1 ZINC000028750575 847455536 /nfs/dbraw/zinc/45/55/36/847455536.db2.gz ORHRUVZVUULKCS-UHFFFAOYSA-N -1 1 421.526 4.072 20 0 HIADMM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccccn1 ZINC000028783057 847460450 /nfs/dbraw/zinc/46/04/50/847460450.db2.gz QHXSYECENWOVEL-AWEZNQCLSA-N -1 1 415.902 4.027 20 0 HIADMM O=C(NC[C@@H]1CCCc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000029108030 847507193 /nfs/dbraw/zinc/50/71/93/847507193.db2.gz FXJBWRFXYUJEHQ-FQEVSTJZSA-N -1 1 420.534 4.337 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCc3ccc(Cl)nc3)cc2)cc1 ZINC000029412768 847559807 /nfs/dbraw/zinc/55/98/07/847559807.db2.gz XTRKZXFNPBWQJO-UHFFFAOYSA-N -1 1 416.886 4.201 20 0 HIADMM Cc1nc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)sc1C ZINC000029579714 847583501 /nfs/dbraw/zinc/58/35/01/847583501.db2.gz MXARTPQTQZNILF-UHFFFAOYSA-N -1 1 419.503 4.261 20 0 HIADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])cc1 ZINC000029697267 847602000 /nfs/dbraw/zinc/60/20/00/847602000.db2.gz GSGSGLPIVZSUBM-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM COc1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000029817966 847625839 /nfs/dbraw/zinc/62/58/39/847625839.db2.gz XRCYBHROFSSGAU-UHFFFAOYSA-N -1 1 422.572 4.095 20 0 HIADMM COc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1[N-]S(C)(=O)=O ZINC000029817483 847625864 /nfs/dbraw/zinc/62/58/64/847625864.db2.gz OIGFISZCSYFOFP-UHFFFAOYSA-N -1 1 412.467 4.111 20 0 HIADMM Cc1ccc(C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000029897402 847644108 /nfs/dbraw/zinc/64/41/08/847644108.db2.gz FVVKBANUVJJVAC-UHFFFAOYSA-N -1 1 422.506 4.234 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3)c([O-])c2)c1 ZINC000030017002 847671532 /nfs/dbraw/zinc/67/15/32/847671532.db2.gz RBBJEDVPWRPOOB-UHFFFAOYSA-N -1 1 406.438 4.222 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CCCCC1 ZINC000030476324 847719195 /nfs/dbraw/zinc/71/91/95/847719195.db2.gz MSEZDDNXNGZIID-UHFFFAOYSA-N -1 1 404.507 4.421 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)c1 ZINC000436504621 861828207 /nfs/dbraw/zinc/82/82/07/861828207.db2.gz LLRCECWWOYDMRA-UHFFFAOYSA-N -1 1 410.451 4.053 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1 ZINC000436504540 861828499 /nfs/dbraw/zinc/82/84/99/861828499.db2.gz KJEZJYCNFUVRDA-UHFFFAOYSA-N -1 1 424.400 4.379 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000436508007 861829450 /nfs/dbraw/zinc/82/94/50/861829450.db2.gz YPQQLMRYZZYEDH-UHFFFAOYSA-N -1 1 418.165 4.212 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)c1 ZINC000436509665 861830045 /nfs/dbraw/zinc/83/00/45/861830045.db2.gz SENLTJNTQZJUPZ-UHFFFAOYSA-N -1 1 402.255 4.149 20 0 HIADMM O=C(NCC1CCC(F)(F)CC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436514792 861830993 /nfs/dbraw/zinc/83/09/93/861830993.db2.gz PSTYDMCAKWYHCH-LJQANCHMSA-N -1 1 416.468 4.092 20 0 HIADMM CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(Cl)ccc1[O-] ZINC000436517474 861832316 /nfs/dbraw/zinc/83/23/16/861832316.db2.gz NYTHRXNRLCUREY-UHFFFAOYSA-N -1 1 415.704 4.131 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CCCN(c4ccccc4)C3=O)n2)cc(Cl)c1[O-] ZINC000436521109 861832899 /nfs/dbraw/zinc/83/28/99/861832899.db2.gz KVVDJBGPNLXAML-OAHLLOKOSA-N -1 1 413.861 4.405 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N(Cc1ccccc1)C1CC1 ZINC000031069919 847818093 /nfs/dbraw/zinc/81/80/93/847818093.db2.gz BXKVTVSIYSMWTP-UHFFFAOYSA-N -1 1 424.497 4.431 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000031136566 847828302 /nfs/dbraw/zinc/82/83/02/847828302.db2.gz CYJIVLZHHVHJKW-UHFFFAOYSA-N -1 1 413.528 4.046 20 0 HIADMM CC(=O)Nc1cccc([C@@H](C)NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c1 ZINC000031308223 847860995 /nfs/dbraw/zinc/86/09/95/847860995.db2.gz QRSWTSPDAJCJBR-OAHLLOKOSA-N -1 1 423.542 4.142 20 0 HIADMM CC(=O)Nc1cccc([C@H](C)NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)c1 ZINC000031308233 847861112 /nfs/dbraw/zinc/86/11/12/847861112.db2.gz VSLMWQJBNZIXRI-HNNXBMFYSA-N -1 1 423.542 4.142 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000436535833 861840166 /nfs/dbraw/zinc/84/01/66/861840166.db2.gz OXTJJXFTSJORJU-ZDUSSCGKSA-N -1 1 401.825 4.255 20 0 HIADMM CC(C)(C)n1cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])cn1 ZINC000436539736 861842559 /nfs/dbraw/zinc/84/25/59/861842559.db2.gz MJIDJBXHUKYSCB-UHFFFAOYSA-N -1 1 414.412 4.127 20 0 HIADMM Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436541521 861843551 /nfs/dbraw/zinc/84/35/51/861843551.db2.gz YAUZJBBNHXBAMV-UHFFFAOYSA-N -1 1 406.507 4.295 20 0 HIADMM COc1cccc2c1[C@H](C(=O)Nc1ccc(C(=O)NC3CCCCC3)c([O-])c1)CC2 ZINC000436541105 861843633 /nfs/dbraw/zinc/84/36/33/861843633.db2.gz SNCKXHKCSVEESL-LJQANCHMSA-N -1 1 408.498 4.132 20 0 HIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000031721773 847937904 /nfs/dbraw/zinc/93/79/04/847937904.db2.gz VUQMBCSXPYWBAQ-UHFFFAOYSA-N -1 1 407.557 4.327 20 0 HIADMM CC[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436548632 861846550 /nfs/dbraw/zinc/84/65/50/861846550.db2.gz VQAMIPCKEWJTTB-MRXNPFEDSA-N -1 1 417.303 4.422 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)ccc1Br ZINC000031776658 847946995 /nfs/dbraw/zinc/94/69/95/847946995.db2.gz ZRFJWGMZSSIKNG-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM O=C(Nc1ccc(C(=O)NCc2nccs2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436558660 861850989 /nfs/dbraw/zinc/85/09/89/861850989.db2.gz WIWJKGSDDGMOOM-UHFFFAOYSA-N -1 1 422.293 4.338 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1ccc(F)cc1 ZINC000436559669 861851556 /nfs/dbraw/zinc/85/15/56/861851556.db2.gz AYPDXDBNOYGAGF-UHFFFAOYSA-N -1 1 400.356 4.338 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(CC)CC)cc2)cc1 ZINC000032088761 847986969 /nfs/dbraw/zinc/98/69/69/847986969.db2.gz AOARTOUYPPTYSK-QGZVFWFLSA-N -1 1 402.560 4.412 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C)c3ccc(F)cc3)c([O-])c2)c1 ZINC000436561318 861852617 /nfs/dbraw/zinc/85/26/17/861852617.db2.gz FSOICPLDAIDIHK-UHFFFAOYSA-N -1 1 424.428 4.077 20 0 HIADMM CC(C)c1ccc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c([O-])c1 ZINC000436563466 861853193 /nfs/dbraw/zinc/85/31/93/861853193.db2.gz MANRAPZCVDKBHM-HNNXBMFYSA-N -1 1 400.906 4.391 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1COCc1ccccc1)c1ccc(F)c(F)c1F ZINC000032441881 848027523 /nfs/dbraw/zinc/02/75/23/848027523.db2.gz QHQIGDCXKQQMJL-UHFFFAOYSA-N -1 1 421.440 4.299 20 0 HIADMM CC(C)[C@H]1CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CCS1 ZINC000436578977 861858995 /nfs/dbraw/zinc/85/89/95/861858995.db2.gz XXJLIPLVUZFCKY-LJQANCHMSA-N -1 1 420.481 4.136 20 0 HIADMM Cc1cc(C)c(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000436584904 861859592 /nfs/dbraw/zinc/85/95/92/861859592.db2.gz QYWHOVSXKBXWLF-HSZRJFAPSA-N -1 1 416.521 4.392 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1 ZINC000032627718 848055063 /nfs/dbraw/zinc/05/50/63/848055063.db2.gz XJHCNBVZJHMGDJ-UHFFFAOYSA-N -1 1 410.923 4.022 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C)C(C)=O ZINC000032626966 848055757 /nfs/dbraw/zinc/05/57/57/848055757.db2.gz FRFOFVBBKNBNID-UHFFFAOYSA-N -1 1 402.560 4.462 20 0 HIADMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000032631479 848057095 /nfs/dbraw/zinc/05/70/95/848057095.db2.gz NFFJZJXSCZUFKF-HXUWFJFHSA-N -1 1 407.451 4.360 20 0 HIADMM COc1cccc(C=C2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)c1 ZINC000436587693 861860629 /nfs/dbraw/zinc/86/06/29/861860629.db2.gz ZHKDDPDNENFLFQ-UHFFFAOYSA-N -1 1 402.288 4.483 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CCOc1cccc(Cl)c1 ZINC000032681859 848063919 /nfs/dbraw/zinc/06/39/19/848063919.db2.gz DSRWIGNONSHVAI-UHFFFAOYSA-N -1 1 415.902 4.002 20 0 HIADMM O=C(N[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1)c1cc2ccccc2o1 ZINC000436590310 861861365 /nfs/dbraw/zinc/86/13/65/861861365.db2.gz SBNMFXHQFSAGDQ-LJQANCHMSA-N -1 1 414.461 4.326 20 0 HIADMM Cc1nc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)cc2)cs1 ZINC000032725521 848068159 /nfs/dbraw/zinc/06/81/59/848068159.db2.gz UQQFSBQXEYWIDB-UHFFFAOYSA-N -1 1 419.528 4.041 20 0 HIADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(-c2cnc(OCC(F)F)cn2)no1 ZINC000436597897 861863277 /nfs/dbraw/zinc/86/32/77/861863277.db2.gz XINRCVSTUYDLOH-UHFFFAOYSA-N -1 1 412.352 4.335 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000436593962 861862435 /nfs/dbraw/zinc/86/24/35/861862435.db2.gz GTRUPIFYVFUMAP-UHFFFAOYSA-N -1 1 402.244 4.296 20 0 HIADMM O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cc2ccccc2cc1[O-] ZINC000436599534 861863918 /nfs/dbraw/zinc/86/39/18/861863918.db2.gz DDRZXEFCQNPAIT-GOSISDBHSA-N -1 1 421.497 4.412 20 0 HIADMM C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436599971 861864208 /nfs/dbraw/zinc/86/42/08/861864208.db2.gz FXOSCXGBSDSUMS-FDDCHVKYSA-N -1 1 416.521 4.288 20 0 HIADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436603378 861865597 /nfs/dbraw/zinc/86/55/97/861865597.db2.gz AWQVWDFLSOSZRX-XZOQPEGZSA-N -1 1 414.505 4.262 20 0 HIADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436603373 861865960 /nfs/dbraw/zinc/86/59/60/861865960.db2.gz AWQVWDFLSOSZRX-GOTSBHOMSA-N -1 1 414.505 4.262 20 0 HIADMM O=C(NCCc1ccccc1Cl)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436607835 861867484 /nfs/dbraw/zinc/86/74/84/861867484.db2.gz IXXKVWNIOURWPO-OAQYLSRUSA-N -1 1 422.912 4.162 20 0 HIADMM CCc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C(C)C)cc1 ZINC000033159883 848116423 /nfs/dbraw/zinc/11/64/23/848116423.db2.gz LCKGVZQWVKTINY-IBGZPJMESA-N -1 1 406.548 4.046 20 0 HIADMM C[C@H](Cc1cccs1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000033203795 848124257 /nfs/dbraw/zinc/12/42/57/848124257.db2.gz FFNHAQCJOZEUKS-CQSZACIVSA-N -1 1 418.515 4.049 20 0 HIADMM O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436609299 861868530 /nfs/dbraw/zinc/86/85/30/861868530.db2.gz WKOZJSREOXDBRI-SFHVURJKSA-N -1 1 421.522 4.124 20 0 HIADMM COc1ccc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)cc1 ZINC000033543431 848136517 /nfs/dbraw/zinc/13/65/17/848136517.db2.gz BCUXLWOQMIOJAI-UHFFFAOYSA-N -1 1 407.451 4.213 20 0 HIADMM COc1ccccc1-c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000033542496 848136973 /nfs/dbraw/zinc/13/69/73/848136973.db2.gz KUCHQBSOLOVXEL-UHFFFAOYSA-N -1 1 407.451 4.213 20 0 HIADMM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000436618491 861871530 /nfs/dbraw/zinc/87/15/30/861871530.db2.gz RPRDNERIDDXISO-AOMKIAJQSA-N -1 1 420.484 4.209 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccccc1F ZINC000036309606 848148875 /nfs/dbraw/zinc/14/88/75/848148875.db2.gz MEACAYZLSPLUSH-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCCCOCCN(C(=O)c1ccc(O)cc1[O-])c1ccc(Br)cc1 ZINC000436618779 861872483 /nfs/dbraw/zinc/87/24/83/861872483.db2.gz MVMKWLHTSMUIFX-UHFFFAOYSA-N -1 1 408.292 4.324 20 0 HIADMM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000036845475 848169003 /nfs/dbraw/zinc/16/90/03/848169003.db2.gz DKNZHARQHRLYHV-BEFAXECRSA-N -1 1 403.573 4.353 20 0 HIADMM O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000436631584 861875801 /nfs/dbraw/zinc/87/58/01/861875801.db2.gz VPEUHCQVAGRACR-IBGZPJMESA-N -1 1 410.857 4.251 20 0 HIADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCO1 ZINC000436634358 861876876 /nfs/dbraw/zinc/87/68/76/861876876.db2.gz KIQQABOHZOZPHQ-RISCZKNCSA-N -1 1 423.296 4.249 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccccc3Cc3ccccc3)ccc2N1 ZINC000041616385 848236473 /nfs/dbraw/zinc/23/64/73/848236473.db2.gz ULHAYBWYTAYKER-UHFFFAOYSA-N -1 1 406.507 4.353 20 0 HIADMM Cc1sc(NC(=O)C(=O)c2ccc([O-])cc2)nc1-c1ccc(OC(F)F)cc1 ZINC000436673127 861889767 /nfs/dbraw/zinc/88/97/67/861889767.db2.gz OBQZPRHXRFKOGI-UHFFFAOYSA-N -1 1 404.394 4.247 20 0 HIADMM COc1cc(Cl)c(C)cc1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436676048 861891346 /nfs/dbraw/zinc/89/13/46/861891346.db2.gz ZSOXLHRISVGVIP-UHFFFAOYSA-N -1 1 415.833 4.164 20 0 HIADMM CCCc1csc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000436682962 861893369 /nfs/dbraw/zinc/89/33/69/861893369.db2.gz XUMNMEFJHWMZKH-SFHVURJKSA-N -1 1 409.511 4.198 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2CCc3c2cccc3O)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436690174 861895294 /nfs/dbraw/zinc/89/52/94/861895294.db2.gz OTTVJUKDDDLBHF-IBGZPJMESA-N -1 1 424.403 4.046 20 0 HIADMM COc1ccccc1-c1nc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)n[nH]1 ZINC000043043546 848378583 /nfs/dbraw/zinc/37/85/83/848378583.db2.gz BTVLPITYWBNABV-UHFFFAOYSA-N -1 1 401.835 4.103 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cncc(C(F)(F)F)c1 ZINC000436709056 861898565 /nfs/dbraw/zinc/89/85/65/861898565.db2.gz UQLCAPXXAMZFLR-UHFFFAOYSA-N -1 1 407.392 4.121 20 0 HIADMM CCc1ccc(C(=O)Nc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c([O-])c1 ZINC000436710912 861899910 /nfs/dbraw/zinc/89/99/10/861899910.db2.gz AZMJQZFUESLORM-UHFFFAOYSA-N -1 1 404.392 4.174 20 0 HIADMM C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])c1cn[nH]c1 ZINC000436722880 861909033 /nfs/dbraw/zinc/90/90/33/861909033.db2.gz QCKZGONXNNSYLX-JTQLQIEISA-N -1 1 419.268 4.165 20 0 HIADMM CC[C@H](CNC(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C)c1ccccc1 ZINC000043792659 848467943 /nfs/dbraw/zinc/46/79/43/848467943.db2.gz SOYTWCYIGFJSQL-MRXNPFEDSA-N -1 1 408.527 4.256 20 0 HIADMM COc1ccccc1CC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436726846 861911274 /nfs/dbraw/zinc/91/12/74/861911274.db2.gz WJMCYBFNJCOHIK-UHFFFAOYSA-N -1 1 404.304 4.258 20 0 HIADMM Cn1c(Cc2csc(NC(=O)c3cc4c(s3)CCCCC4)n2)n[n-]c1=S ZINC000045074804 848630293 /nfs/dbraw/zinc/63/02/93/848630293.db2.gz ADBXQYLUINVZLB-UHFFFAOYSA-N -1 1 405.574 4.108 20 0 HIADMM CC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c1 ZINC000436748184 861930145 /nfs/dbraw/zinc/93/01/45/861930145.db2.gz RHCBCPXDKDGTSG-UHFFFAOYSA-N -1 1 410.376 4.378 20 0 HIADMM CCc1c(C)sc2nc(-c3ccc([O-])c(I)c3)[nH]c(=O)c12 ZINC000436748022 861930186 /nfs/dbraw/zinc/93/01/86/861930186.db2.gz DCHRXVKUUNOGNX-UHFFFAOYSA-N -1 1 412.252 4.245 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CCC(C)C)c2)cc1 ZINC000045473366 848683332 /nfs/dbraw/zinc/68/33/32/848683332.db2.gz KLNRZYSVVKGZAB-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM O=C(NC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-])Nc1ccccc1 ZINC000436751095 861934766 /nfs/dbraw/zinc/93/47/66/861934766.db2.gz IPLUSWWOEKQIRL-MRXNPFEDSA-N -1 1 421.419 4.227 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccoc3)c2)cc1C ZINC000045835867 848737338 /nfs/dbraw/zinc/73/73/38/848737338.db2.gz NOVYCOBALPAJRZ-UHFFFAOYSA-N -1 1 418.902 4.281 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N([C@H](C)C3CC3)C3CC3)c([O-])c2)c1 ZINC000436754814 861942497 /nfs/dbraw/zinc/94/24/97/861942497.db2.gz IPMSBUISUNGMTF-CQSZACIVSA-N -1 1 424.497 4.065 20 0 HIADMM O=C(NC[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-])Nc1ccccc1 ZINC000436761631 861951399 /nfs/dbraw/zinc/95/13/99/861951399.db2.gz MKOSBHPCYKYWKC-LJQANCHMSA-N -1 1 403.482 4.362 20 0 HIADMM C[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc(OC(F)F)c1 ZINC000046607477 848884668 /nfs/dbraw/zinc/88/46/68/848884668.db2.gz JBXDLGXKTATXNV-CQSZACIVSA-N -1 1 418.440 4.359 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000046611723 848885830 /nfs/dbraw/zinc/88/58/30/848885830.db2.gz DFKABDWLMDBHMB-UHFFFAOYSA-N -1 1 400.481 4.004 20 0 HIADMM CN(CCCc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000046639132 848894034 /nfs/dbraw/zinc/89/40/34/848894034.db2.gz XEKUPZIJAGGWTL-UHFFFAOYSA-N -1 1 408.523 4.192 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000436767674 861961227 /nfs/dbraw/zinc/96/12/27/861961227.db2.gz GYBQBNCSOWSARS-LBPRGKRZSA-N -1 1 420.309 4.118 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3Cc4ccccc4O3)n2)cc(Br)c1[O-] ZINC000436772016 861962284 /nfs/dbraw/zinc/96/22/84/861962284.db2.gz ZCQZXIXGNJRTOD-HNNXBMFYSA-N -1 1 403.232 4.280 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1(c2ccc(F)cc2)CC1 ZINC000047119195 848986962 /nfs/dbraw/zinc/98/69/62/848986962.db2.gz ZPWBVNPROXNPBS-UHFFFAOYSA-N -1 1 410.470 4.297 20 0 HIADMM COc1cc(C)c(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c(C)c1C ZINC000436778772 861969127 /nfs/dbraw/zinc/96/91/27/861969127.db2.gz HWDOZIVRGWITLB-UHFFFAOYSA-N -1 1 409.442 4.127 20 0 HIADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1NC(=O)c1ccc(O)cc1F ZINC000436791476 861984096 /nfs/dbraw/zinc/98/40/96/861984096.db2.gz JQCQCZMAFCLINO-GFCCVEGCSA-N -1 1 412.392 4.119 20 0 HIADMM O=S(=O)([N-]CCc1ccc(Cl)cc1Cl)c1sccc1Br ZINC000048443452 849222717 /nfs/dbraw/zinc/22/27/17/849222717.db2.gz KTQLCDGWUDTTRM-UHFFFAOYSA-N -1 1 415.161 4.338 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])c(C)c1 ZINC000436818296 862000783 /nfs/dbraw/zinc/00/07/83/862000783.db2.gz KFTMAUSIFKKMQM-INIZCTEOSA-N -1 1 424.444 4.182 20 0 HIADMM CCc1ccc(O)c(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c1 ZINC000436842896 862019046 /nfs/dbraw/zinc/01/90/46/862019046.db2.gz YAAQQMJUANDKEY-UHFFFAOYSA-N -1 1 412.392 4.443 20 0 HIADMM O=C(CSC1=Nc2ccccc2CS1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000052463305 849584972 /nfs/dbraw/zinc/58/49/72/849584972.db2.gz RVAJOZASJOWIJO-UHFFFAOYSA-N -1 1 408.451 4.212 20 0 HIADMM CCOC(=O)c1csc(C2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)n1 ZINC000436866082 862044544 /nfs/dbraw/zinc/04/45/44/862044544.db2.gz WLKOAPRYLHFTGK-UHFFFAOYSA-N -1 1 410.495 4.198 20 0 HIADMM COc1ccc(-c2nc(C(=O)[N-]c3nnc(-c4ccco4)s3)cs2)cc1OC ZINC000053210062 849679481 /nfs/dbraw/zinc/67/94/81/849679481.db2.gz DLMREZCRZKSGOB-UHFFFAOYSA-N -1 1 414.468 4.191 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(OC)cc3OCCOC)n2)cc(Cl)c1[O-] ZINC000436868240 862046523 /nfs/dbraw/zinc/04/65/23/862046523.db2.gz HTUMCTADYMDUDS-UHFFFAOYSA-N -1 1 420.849 4.195 20 0 HIADMM O=C(c1ccccc1OC(F)F)N1CCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436871768 862047385 /nfs/dbraw/zinc/04/73/85/862047385.db2.gz ICYFANNBCKATTA-HNNXBMFYSA-N -1 1 419.359 4.160 20 0 HIADMM [O-]c1ccc(-c2noc(-c3sc(N4CCOCC4)nc3-c3ccccc3)n2)cc1F ZINC000436873760 862050510 /nfs/dbraw/zinc/05/05/10/862050510.db2.gz OERJKAMUQLNRNJ-UHFFFAOYSA-N -1 1 424.457 4.208 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(C)nc(C(F)(F)F)n3)n2)cc(Cl)c1[O-] ZINC000436876060 862053051 /nfs/dbraw/zinc/05/30/51/862053051.db2.gz ZTNDDYJLEZZMQS-UHFFFAOYSA-N -1 1 400.744 4.279 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2CC=CCC2)c([O-])c1)c1cccc(Br)c1 ZINC000436874870 862053075 /nfs/dbraw/zinc/05/30/75/862053075.db2.gz SISIMLCBNZPFRD-HNNXBMFYSA-N -1 1 415.287 4.246 20 0 HIADMM COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc([O-])cc1F)CC2 ZINC000436881565 862058881 /nfs/dbraw/zinc/05/88/81/862058881.db2.gz SXMZPXSHVCYTSZ-OAQYLSRUSA-N -1 1 413.470 4.398 20 0 HIADMM CC(=O)Nc1ccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[n-]2)cc1 ZINC000053854739 849770018 /nfs/dbraw/zinc/77/00/18/849770018.db2.gz HMSBUIRWFLRJNM-UHFFFAOYSA-N -1 1 405.435 4.006 20 0 HIADMM CCOc1cc(-c2noc(C(C)(C)C3CCOCC3)n2)cc(Br)c1[O-] ZINC000436878107 862054741 /nfs/dbraw/zinc/05/47/41/862054741.db2.gz RRBLSFXNALBQQT-UHFFFAOYSA-N -1 1 411.296 4.308 20 0 HIADMM CCOc1cc(-c2noc(-c3c[nH]nc3-c3ccoc3)n2)cc(Br)c1[O-] ZINC000436877181 862054984 /nfs/dbraw/zinc/05/49/84/862054984.db2.gz NLLHOYCEIQMGAA-UHFFFAOYSA-N -1 1 417.219 4.254 20 0 HIADMM Cc1c(NC(=O)c2ccc([O-])cc2F)cccc1C(=O)N1CCc2sccc2C1 ZINC000436879184 862057657 /nfs/dbraw/zinc/05/76/57/862057657.db2.gz JJJZLQVPXDGHPA-UHFFFAOYSA-N -1 1 410.470 4.352 20 0 HIADMM COc1cc(-c2noc(CC3CC(OC(C)(C)C)C3)n2)cc(Br)c1[O-] ZINC000436881890 862058451 /nfs/dbraw/zinc/05/84/51/862058451.db2.gz YXDOIRDSKWXEIX-UHFFFAOYSA-N -1 1 411.296 4.350 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3cccc(F)c3)no2)c(O)c1)c1cccs1 ZINC000436894213 862069866 /nfs/dbraw/zinc/06/98/66/862069866.db2.gz DJMCQEKFODEMOZ-UHFFFAOYSA-N -1 1 417.443 4.111 20 0 HIADMM O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)C(=O)c1ccc([O-])cc1 ZINC000436892311 862070289 /nfs/dbraw/zinc/07/02/89/862070289.db2.gz JCMOVRKZKVNBPE-UHFFFAOYSA-N -1 1 405.888 4.011 20 0 HIADMM Cc1oc(-c2cccs2)nc1CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055416738 850018091 /nfs/dbraw/zinc/01/80/91/850018091.db2.gz WBSJNJIUVIMSNU-UHFFFAOYSA-N -1 1 410.495 4.081 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H]2CCC[C@H](C)C2)cc1 ZINC000055485707 850037337 /nfs/dbraw/zinc/03/73/37/850037337.db2.gz HSGWUTGEZGLUGG-JKSUJKDBSA-N -1 1 402.564 4.339 20 0 HIADMM CCOc1ccc(Br)cc1-c1noc(-c2cc(NC(C)=O)ccc2[O-])n1 ZINC000436907709 862083911 /nfs/dbraw/zinc/08/39/11/862083911.db2.gz GYUFRWORNMAEGR-UHFFFAOYSA-N -1 1 418.247 4.229 20 0 HIADMM O=C(Cc1ccccc1)Nc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1F ZINC000055633953 850085172 /nfs/dbraw/zinc/08/51/72/850085172.db2.gz HBWAIVOUEWWOHH-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000055633219 850085325 /nfs/dbraw/zinc/08/53/25/850085325.db2.gz AUQMZIMSEMVYAZ-UHFFFAOYSA-N -1 1 403.422 4.059 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)cc1 ZINC000055642612 850087718 /nfs/dbraw/zinc/08/77/18/850087718.db2.gz ZITKJRZBRPGFND-IRXDYDNUSA-N -1 1 400.544 4.222 20 0 HIADMM CC[C@H](C)Oc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000055641034 850088462 /nfs/dbraw/zinc/08/84/62/850088462.db2.gz FQKNGDRBXRFQRD-AWEZNQCLSA-N -1 1 412.515 4.432 20 0 HIADMM O=C(NC1CCCCC1)c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1Cl ZINC000055688415 850112767 /nfs/dbraw/zinc/11/27/67/850112767.db2.gz WTWPPVJFYDIZTA-UHFFFAOYSA-N -1 1 410.898 4.342 20 0 HIADMM Cc1cc(OC(F)F)c(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)s1 ZINC000436914506 862093747 /nfs/dbraw/zinc/09/37/47/862093747.db2.gz JQLMFRQQHHJMQF-UHFFFAOYSA-N -1 1 400.794 4.054 20 0 HIADMM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436914169 862094195 /nfs/dbraw/zinc/09/41/95/862094195.db2.gz IITNKQOMKJMFNB-UHFFFAOYSA-N -1 1 415.862 4.037 20 0 HIADMM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436914169 862094213 /nfs/dbraw/zinc/09/42/13/862094213.db2.gz IITNKQOMKJMFNB-UHFFFAOYSA-N -1 1 415.862 4.037 20 0 HIADMM CCOc1ccccc1OCCCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436914209 862094509 /nfs/dbraw/zinc/09/45/09/862094509.db2.gz ITMKOAQNJMXMAX-UHFFFAOYSA-N -1 1 416.865 4.027 20 0 HIADMM CCOc1ccccc1OCCCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436914209 862094519 /nfs/dbraw/zinc/09/45/19/862094519.db2.gz ITMKOAQNJMXMAX-UHFFFAOYSA-N -1 1 416.865 4.027 20 0 HIADMM C/C=C/C[C@H](CO)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436915559 862095988 /nfs/dbraw/zinc/09/59/88/862095988.db2.gz OVCOXCJUBZTFRH-BAABZTOOSA-N -1 1 423.296 4.008 20 0 HIADMM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccccc1)c1ccc(Br)s1 ZINC000056128006 850247922 /nfs/dbraw/zinc/24/79/22/850247922.db2.gz LSXXYKWHWHIFER-JTQLQIEISA-N -1 1 414.268 4.483 20 0 HIADMM C[C@H](c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1)C(C)(C)C ZINC000436931829 862110712 /nfs/dbraw/zinc/11/07/12/862110712.db2.gz MPTPFWKJGOMOJD-LLVKDONJSA-N -1 1 407.517 4.454 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(F)c(F)c1 ZINC000056227106 850290959 /nfs/dbraw/zinc/29/09/59/850290959.db2.gz BROPTORCVHPVCN-UHFFFAOYSA-N -1 1 402.422 4.042 20 0 HIADMM O=C(NCC(F)(F)c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436937067 862114957 /nfs/dbraw/zinc/11/49/57/862114957.db2.gz WVBYLDHBNNMXOL-FQEVSTJZSA-N -1 1 424.447 4.058 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c(=O)[n-]1 ZINC000056365472 850336438 /nfs/dbraw/zinc/33/64/38/850336438.db2.gz GVIJDTYOOKFGKZ-UHFFFAOYSA-N -1 1 419.978 4.014 20 0 HIADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(Cn2cc(Br)cn2)no1 ZINC000436937881 862118001 /nfs/dbraw/zinc/11/80/01/862118001.db2.gz GWRFHRZVPQCHJC-UHFFFAOYSA-N -1 1 413.231 4.242 20 0 HIADMM CC(C)OCCCc1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436944768 862121718 /nfs/dbraw/zinc/12/17/18/862121718.db2.gz LCEUQWQHNWHZBA-UHFFFAOYSA-N -1 1 417.412 4.330 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000436948071 862124909 /nfs/dbraw/zinc/12/49/09/862124909.db2.gz GOBIOLOVXGYIAX-INIZCTEOSA-N -1 1 414.658 4.161 20 0 HIADMM C[C@H]1C[C@H](c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)CCO1 ZINC000436950161 862128337 /nfs/dbraw/zinc/12/83/37/862128337.db2.gz ODLVUDXRYVCFNT-NWDGAFQWSA-N -1 1 415.396 4.255 20 0 HIADMM CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000056692271 850441722 /nfs/dbraw/zinc/44/17/22/850441722.db2.gz AJXQCBQBAVXVDP-UHFFFAOYSA-N -1 1 415.877 4.131 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000057121385 850552039 /nfs/dbraw/zinc/55/20/39/850552039.db2.gz PPTFZHIBJURJAZ-GFCCVEGCSA-N -1 1 400.422 4.035 20 0 HIADMM Cc1c(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)oc2c1c(C)ccc2C ZINC000057155163 850563929 /nfs/dbraw/zinc/56/39/29/850563929.db2.gz ZOXWIGBOKZVVCM-UHFFFAOYSA-N -1 1 413.528 4.449 20 0 HIADMM CC[C@H](CC(F)(F)F)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436976511 862154486 /nfs/dbraw/zinc/15/44/86/862154486.db2.gz BXBUMNKSWJHFOL-CYBMUJFWSA-N -1 1 416.346 4.384 20 0 HIADMM Cc1ccc([C@@H](C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436978182 862156345 /nfs/dbraw/zinc/15/63/45/862156345.db2.gz GPNMVRKMXAEPCU-MBSDFSHPSA-N -1 1 416.521 4.378 20 0 HIADMM COc1cc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)ccc1OCC(C)C ZINC000436980810 862159054 /nfs/dbraw/zinc/15/90/54/862159054.db2.gz OPURIQRRRKQRRA-UHFFFAOYSA-N -1 1 416.865 4.126 20 0 HIADMM COc1cc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)ccc1OCC(C)C ZINC000436980810 862159065 /nfs/dbraw/zinc/15/90/65/862159065.db2.gz OPURIQRRRKQRRA-UHFFFAOYSA-N -1 1 416.865 4.126 20 0 HIADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436983957 862161468 /nfs/dbraw/zinc/16/14/68/862161468.db2.gz AZVGNLVSJWLXKW-MGPQQGTHSA-N -1 1 402.441 4.429 20 0 HIADMM C[C@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000058062387 850760226 /nfs/dbraw/zinc/76/02/26/850760226.db2.gz CHOXAUINADYETF-MEDUHNTESA-N -1 1 412.483 4.397 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000058137436 850771432 /nfs/dbraw/zinc/77/14/32/850771432.db2.gz YWBRIEOIYRCHRD-UHFFFAOYSA-N -1 1 410.433 4.221 20 0 HIADMM O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc([O-])cc1F ZINC000436989147 862167998 /nfs/dbraw/zinc/16/79/98/862167998.db2.gz YPGWPGZUMRBVHX-LJQANCHMSA-N -1 1 415.262 4.403 20 0 HIADMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000058436443 850823779 /nfs/dbraw/zinc/82/37/79/850823779.db2.gz AYRVYTNIVPAIDY-UHFFFAOYSA-N -1 1 401.315 4.323 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(c3cccc4ccccc43)CC2)c(=O)[n-]1 ZINC000058725755 850903291 /nfs/dbraw/zinc/90/32/91/850903291.db2.gz JWJNWTPTNORYOR-UHFFFAOYSA-N -1 1 421.566 4.292 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(N(C)C)c(C)c3)c2)cc1 ZINC000058745120 850911204 /nfs/dbraw/zinc/91/12/04/850911204.db2.gz UOSAEMPRJJVUAD-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cc1ccc(OCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000058949681 850965691 /nfs/dbraw/zinc/96/56/91/850965691.db2.gz WLAPOUUCCMGJBY-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4ccc(F)cc43)cc2)c1C ZINC000059006860 850978238 /nfs/dbraw/zinc/97/82/38/850978238.db2.gz PDWVOMUNRGTPOP-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000060168738 851048224 /nfs/dbraw/zinc/04/82/24/851048224.db2.gz MAPONJHJFLMYPX-ZDUSSCGKSA-N -1 1 423.738 4.327 20 0 HIADMM COc1ccc(Cl)cc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000060414444 851091796 /nfs/dbraw/zinc/09/17/96/851091796.db2.gz TZZLNHUFHAHKLC-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000060624466 851170466 /nfs/dbraw/zinc/17/04/66/851170466.db2.gz WYFGSYIDGZRVOM-UHFFFAOYSA-N -1 1 414.449 4.425 20 0 HIADMM Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000060645116 851177148 /nfs/dbraw/zinc/17/71/48/851177148.db2.gz YYPPMKSNMKNJNM-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000060756845 851206541 /nfs/dbraw/zinc/20/65/41/851206541.db2.gz TVYWSZGZWQIZNX-LJQANCHMSA-N -1 1 418.877 4.137 20 0 HIADMM CCCCC1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)CC1 ZINC000062517786 851569524 /nfs/dbraw/zinc/56/95/24/851569524.db2.gz KXAJKWAFFVWMSY-UHFFFAOYSA-N -1 1 415.559 4.361 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)N(C)C)cc1 ZINC000063177784 851628167 /nfs/dbraw/zinc/62/81/67/851628167.db2.gz ALDHSZHKPKXTBA-UHFFFAOYSA-N -1 1 405.520 4.150 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)cc1OC ZINC000063181378 851629088 /nfs/dbraw/zinc/62/90/88/851629088.db2.gz IBUABYOQCQLSJD-UHFFFAOYSA-N -1 1 422.503 4.018 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000063200476 851631162 /nfs/dbraw/zinc/63/11/62/851631162.db2.gz JGMXDKJFURYTBQ-SECBINFHSA-N -1 1 413.339 4.085 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)CC3)cc2)cc1 ZINC000063273920 851647755 /nfs/dbraw/zinc/64/77/55/851647755.db2.gz NOTKSFRYGVGSSK-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM COc1ccc(CCC(=O)N[N-]C(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1 ZINC000063598929 851721992 /nfs/dbraw/zinc/72/19/92/851721992.db2.gz CCSYBLPFDRGJBU-UHFFFAOYSA-N -1 1 423.538 4.138 20 0 HIADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(OCCC(C)C)c3)ccc21 ZINC000064374079 851881916 /nfs/dbraw/zinc/88/19/16/851881916.db2.gz VFIBBAZIASPUHX-UHFFFAOYSA-N -1 1 416.543 4.211 20 0 HIADMM CCCCNC(=O)N[N-]C(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000064426007 851896625 /nfs/dbraw/zinc/89/66/25/851896625.db2.gz DCFOXUPQSVBOCX-UHFFFAOYSA-N -1 1 415.490 4.364 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)cc1OCCC ZINC000064474724 851906441 /nfs/dbraw/zinc/90/64/41/851906441.db2.gz JPUFNBFVTGFWMT-UHFFFAOYSA-N -1 1 420.531 4.414 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)cc1 ZINC000064477343 851907945 /nfs/dbraw/zinc/90/79/45/851907945.db2.gz SYHXURGUDBTEPX-UHFFFAOYSA-N -1 1 404.557 4.190 20 0 HIADMM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]NC(=O)c1cccc2cccnc21 ZINC000064501997 851914109 /nfs/dbraw/zinc/91/41/09/851914109.db2.gz ADWSZUHWKWKHBL-UHFFFAOYSA-N -1 1 422.897 4.395 20 0 HIADMM COc1ccc(Cl)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000064880122 852012370 /nfs/dbraw/zinc/01/23/70/852012370.db2.gz NYNQVEQGJQYUBJ-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM COCc1nc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)cs1 ZINC000065048746 852047481 /nfs/dbraw/zinc/04/74/81/852047481.db2.gz WQAQASWZFUXRID-UHFFFAOYSA-N -1 1 412.949 4.339 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C)n3)cc2)c2ccccc12 ZINC000065080181 852057836 /nfs/dbraw/zinc/05/78/36/852057836.db2.gz BYELYZPRNBMEGD-UHFFFAOYSA-N -1 1 408.483 4.133 20 0 HIADMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000065223928 852090739 /nfs/dbraw/zinc/09/07/39/852090739.db2.gz HLMHFQSBXDNFRM-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)s1 ZINC000065417960 852125989 /nfs/dbraw/zinc/12/59/89/852125989.db2.gz QNXCRJMKBWNKFO-CQSZACIVSA-N -1 1 418.515 4.487 20 0 HIADMM CCCCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000065578710 852190123 /nfs/dbraw/zinc/19/01/23/852190123.db2.gz JPPVOXJIMLCQCF-AWEZNQCLSA-N -1 1 410.923 4.285 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)cc1 ZINC000071806855 852407874 /nfs/dbraw/zinc/40/78/74/852407874.db2.gz OWGRFVNJPQAGSK-UHFFFAOYSA-N -1 1 408.479 4.407 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000071885269 852423982 /nfs/dbraw/zinc/42/39/82/852423982.db2.gz SSDRUNGNHZVXMP-UHFFFAOYSA-N -1 1 408.951 4.176 20 0 HIADMM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000072027201 852472509 /nfs/dbraw/zinc/47/25/09/852472509.db2.gz FJCUNRRVEDHZAT-UHFFFAOYSA-N -1 1 413.499 4.270 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cccc(C(F)(F)F)c1 ZINC000072035747 852477852 /nfs/dbraw/zinc/47/78/52/852477852.db2.gz SCAJUHYQLIJDHF-INIZCTEOSA-N -1 1 411.405 4.234 20 0 HIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000072035787 852478280 /nfs/dbraw/zinc/47/82/80/852478280.db2.gz YRRLPKXNBVHYQN-SFHVURJKSA-N -1 1 408.483 4.072 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1Br ZINC000096487738 852548451 /nfs/dbraw/zinc/54/84/51/852548451.db2.gz XPPOFXBUAJCEPZ-UHFFFAOYSA-N -1 1 421.110 4.021 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N3CCCCC3)cn2)cc1 ZINC000097335616 852603557 /nfs/dbraw/zinc/60/35/57/852603557.db2.gz GPTKAEPBHXDLIR-UHFFFAOYSA-N -1 1 422.558 4.330 20 0 HIADMM COc1nc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)cc2ccccc21 ZINC000097554991 852631014 /nfs/dbraw/zinc/63/10/14/852631014.db2.gz KBEHHFDYQHIMOX-UHFFFAOYSA-N -1 1 411.531 4.098 20 0 HIADMM CCCCN(C)c1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=S)n3CC)C2)cc1 ZINC000097570114 852632360 /nfs/dbraw/zinc/63/23/60/852632360.db2.gz OGCSQJDJWHSXBJ-KRWDZBQOSA-N -1 1 401.580 4.217 20 0 HIADMM CCc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)nc(SC)[n-]c2=O)o1 ZINC000097593312 852641450 /nfs/dbraw/zinc/64/14/50/852641450.db2.gz IOFZZTCNZNYURB-KRWDZBQOSA-N -1 1 403.548 4.032 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cnc3ccccc3c2)cc1 ZINC000105586247 852715062 /nfs/dbraw/zinc/71/50/62/852715062.db2.gz FVSXPZAHAFNPCK-UHFFFAOYSA-N -1 1 405.483 4.193 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(Cl)ccc2N(C)C)c1 ZINC000105595815 852716158 /nfs/dbraw/zinc/71/61/58/852716158.db2.gz DOLJLBGZHBBRRF-UHFFFAOYSA-N -1 1 401.923 4.274 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCS[C@H](C(C)C)C3)cc2)cc1 ZINC000437194794 862385363 /nfs/dbraw/zinc/38/53/63/862385363.db2.gz OWNQUZVHOPHPMU-FQEVSTJZSA-N -1 1 418.584 4.009 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCc3ccccc32)cc1 ZINC000105646642 852719369 /nfs/dbraw/zinc/71/93/69/852719369.db2.gz WIRSJMCUXJQNSB-LJQANCHMSA-N -1 1 408.527 4.152 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000105837854 852732515 /nfs/dbraw/zinc/73/25/15/852732515.db2.gz FGTAZBFFIWPOLP-ZDUSSCGKSA-N -1 1 415.902 4.000 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000107625475 852783125 /nfs/dbraw/zinc/78/31/25/852783125.db2.gz GIVOPEBCRSRYIZ-QGZVFWFLSA-N -1 1 414.556 4.432 20 0 HIADMM CC1(C)Oc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2O1 ZINC000107660702 852784262 /nfs/dbraw/zinc/78/42/62/852784262.db2.gz WQOHUGJPAFQLOQ-UHFFFAOYSA-N -1 1 424.478 4.247 20 0 HIADMM CCN(CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000108229633 852830158 /nfs/dbraw/zinc/83/01/58/852830158.db2.gz WEWDGEKULUKWCT-UHFFFAOYSA-N -1 1 423.538 4.261 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000108601324 852864287 /nfs/dbraw/zinc/86/42/87/852864287.db2.gz LPBPAABTNCMNMR-HSZRJFAPSA-N -1 1 416.525 4.121 20 0 HIADMM Cn1ccc2c1cccc2NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000110491946 853107116 /nfs/dbraw/zinc/10/71/16/853107116.db2.gz DNIHJHVGBHIUKT-UHFFFAOYSA-N -1 1 423.469 4.371 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccnc2N2CCCCC2)cc1 ZINC000111084492 853198945 /nfs/dbraw/zinc/19/89/45/853198945.db2.gz IQPZNMZXXZIFOW-UHFFFAOYSA-N -1 1 422.558 4.330 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000111211472 853223947 /nfs/dbraw/zinc/22/39/47/853223947.db2.gz CYUKEZHFNSYVGU-UHFFFAOYSA-N -1 1 418.906 4.394 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C(C)C)[nH]n3)ccc2C)cc1 ZINC000115875924 853269528 /nfs/dbraw/zinc/26/95/28/853269528.db2.gz DRUVDTKBJVMOIE-UHFFFAOYSA-N -1 1 412.515 4.203 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(CC)CCC(F)(F)F)cc1 ZINC000116288358 853296932 /nfs/dbraw/zinc/29/69/32/853296932.db2.gz LULGSUVFEFJQFF-UHFFFAOYSA-N -1 1 416.469 4.197 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000116573038 853316969 /nfs/dbraw/zinc/31/69/69/853316969.db2.gz GMVRICCDQYGTKE-NRFANRHFSA-N -1 1 418.541 4.367 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccsc3)cc2)c1 ZINC000116897312 853337216 /nfs/dbraw/zinc/33/72/16/853337216.db2.gz YYNPMUIXEPVNIB-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM C/C(=C\C(=O)N1CCC[C@H](c2n[n-]c(=S)n2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000210033595 853812773 /nfs/dbraw/zinc/81/27/73/853812773.db2.gz OZASTGNKLMEZNR-HNLYHXCKSA-N -1 1 400.592 4.346 20 0 HIADMM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1 ZINC000215760711 853836842 /nfs/dbraw/zinc/83/68/42/853836842.db2.gz FWPMJNUMAARKRB-XFFZJAGNSA-N -1 1 424.316 4.135 20 0 HIADMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000227870454 853887961 /nfs/dbraw/zinc/88/79/61/853887961.db2.gz SPUMPJZHANBSRV-UHFFFAOYSA-N -1 1 405.111 4.321 20 0 HIADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1cccc(Cl)c1 ZINC000230886300 853896074 /nfs/dbraw/zinc/89/60/74/853896074.db2.gz ACJWJXAJAQERQC-SECBINFHSA-N -1 1 401.631 4.141 20 0 HIADMM Cc1nc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cs1 ZINC000248036064 854174620 /nfs/dbraw/zinc/17/46/20/854174620.db2.gz SFWQGVRZXVCJSD-UHFFFAOYSA-N -1 1 415.540 4.050 20 0 HIADMM CC(C)CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000248230250 854186012 /nfs/dbraw/zinc/18/60/12/854186012.db2.gz AAKQIJYNGJIMMP-AWEZNQCLSA-N -1 1 410.486 4.320 20 0 HIADMM Cc1nc(-c2ccc(NC[C@H](O)c3cccc(C(F)(F)F)c3)nc2)[n-]c(=O)c1C ZINC000301360298 854370930 /nfs/dbraw/zinc/37/09/30/854370930.db2.gz AGIOKFUFDFSYAZ-INIZCTEOSA-N -1 1 404.392 4.025 20 0 HIADMM O=c1[n-]c(Sc2ncc(-c3ccc(F)cc3)o2)nc2c1cnn2-c1ccccc1 ZINC000301366124 854371854 /nfs/dbraw/zinc/37/18/54/854371854.db2.gz SGDLJYOVXKIMBG-UHFFFAOYSA-N -1 1 405.414 4.466 20 0 HIADMM CCn1c(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)nnc1-c1cccs1 ZINC000301374325 854374653 /nfs/dbraw/zinc/37/46/53/854374653.db2.gz WUOLLMZHDPPJFW-UHFFFAOYSA-N -1 1 421.511 4.012 20 0 HIADMM Cc1nc(-c2ccc(NCCc3coc(-c4ccc(F)cc4)n3)nc2)[n-]c(=O)c1C ZINC000301428514 854391561 /nfs/dbraw/zinc/39/15/61/854391561.db2.gz UUKCKNOEHXZZIG-UHFFFAOYSA-N -1 1 405.433 4.310 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(OCc2cn3ccccc3n2)c1 ZINC000437303701 862563769 /nfs/dbraw/zinc/56/37/69/862563769.db2.gz BZOYJDUVJMYZAE-UHFFFAOYSA-N -1 1 411.458 4.162 20 0 HIADMM Cc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c(OC[C@H]2CCCO2)c1 ZINC000301638780 854435400 /nfs/dbraw/zinc/43/54/00/854435400.db2.gz XVWCMOLCYHGERX-HXUWFJFHSA-N -1 1 420.513 4.339 20 0 HIADMM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1cc(Cl)sc1Cl ZINC000437305843 862566250 /nfs/dbraw/zinc/56/62/50/862566250.db2.gz KWWYNGYFMHDAGI-UHFFFAOYSA-N -1 1 411.279 4.051 20 0 HIADMM Cc1nc(-c2ccc(N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000301773399 854463182 /nfs/dbraw/zinc/46/31/82/854463182.db2.gz KEKYWTFNYMXANW-UXHICEINSA-N -1 1 408.477 4.093 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3)nc2)[n-]c(=O)c1C ZINC000301902491 854489324 /nfs/dbraw/zinc/48/93/24/854489324.db2.gz ODUNCRUCJFEEBQ-OAHLLOKOSA-N -1 1 413.884 4.344 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2oc3c(cccc3C)c2C)c1 ZINC000303058611 854742602 /nfs/dbraw/zinc/74/26/02/854742602.db2.gz ZUFWPMJNSOUVAG-UHFFFAOYSA-N -1 1 416.499 4.038 20 0 HIADMM Cc1ccc(C[C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000303292434 854855528 /nfs/dbraw/zinc/85/55/28/854855528.db2.gz BJABYOVDMCNWKE-IBGZPJMESA-N -1 1 422.550 4.465 20 0 HIADMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000303292439 854855602 /nfs/dbraw/zinc/85/56/02/854855602.db2.gz BJABYOVDMCNWKE-LJQANCHMSA-N -1 1 422.550 4.465 20 0 HIADMM CC[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000303479133 854973799 /nfs/dbraw/zinc/97/37/99/854973799.db2.gz PNDALWWWEBJJPT-CYBMUJFWSA-N -1 1 412.914 4.398 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000303537702 855023440 /nfs/dbraw/zinc/02/34/40/855023440.db2.gz HFWNXGHUYDUCSP-HSZRJFAPSA-N -1 1 410.539 4.450 20 0 HIADMM O=C(Nc1cc(Cl)ccn1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000303556100 855037585 /nfs/dbraw/zinc/03/75/85/855037585.db2.gz MNQAOLYKIKYJAB-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2ccc(-c3cccc(C)c3)cc2)c(=O)[n-]1 ZINC000303639017 855095585 /nfs/dbraw/zinc/09/55/85/855095585.db2.gz AQPUNSYXLGKILS-UHFFFAOYSA-N -1 1 407.539 4.437 20 0 HIADMM Cc1ccc(CCNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cc1 ZINC000303698069 855139130 /nfs/dbraw/zinc/13/91/30/855139130.db2.gz WPIQFNBCQMWPJL-UHFFFAOYSA-N -1 1 422.550 4.385 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000303745164 855167283 /nfs/dbraw/zinc/16/72/83/855167283.db2.gz JRLMJFLLCKCUBE-AZUAARDMSA-N -1 1 406.555 4.444 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000303745165 855167547 /nfs/dbraw/zinc/16/75/47/855167547.db2.gz JRLMJFLLCKCUBE-ICSRJNTNSA-N -1 1 406.555 4.444 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(OC4CCCC4)c3)cc21 ZINC000303784306 855196755 /nfs/dbraw/zinc/19/67/55/855196755.db2.gz OXCLADQQUXMDGP-UHFFFAOYSA-N -1 1 414.527 4.108 20 0 HIADMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000303806150 855210451 /nfs/dbraw/zinc/21/04/51/855210451.db2.gz UGZLDAQECRNFBA-NOZJJQNGSA-N -1 1 424.769 4.219 20 0 HIADMM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000303829169 855229339 /nfs/dbraw/zinc/22/93/39/855229339.db2.gz LFRHJSBUMYDKRL-UHFFFAOYSA-N -1 1 420.796 4.116 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2coc(-c3ccccc3)n2)cc1 ZINC000303834597 855233589 /nfs/dbraw/zinc/23/35/89/855233589.db2.gz BZNHNZPNIWPBBQ-UHFFFAOYSA-N -1 1 419.510 4.278 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CCC[C@H]3C)cc2)cc1 ZINC000303849057 855245918 /nfs/dbraw/zinc/24/59/18/855245918.db2.gz FIDDAFIYEPMYID-DLBZAZTESA-N -1 1 416.543 4.147 20 0 HIADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(Br)s2)c1 ZINC000317201959 855381217 /nfs/dbraw/zinc/38/12/17/855381217.db2.gz JPMQYXIRUQXDEF-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)ccc1Br ZINC000320366626 855388200 /nfs/dbraw/zinc/38/82/00/855388200.db2.gz NRMLHNQQOWIPCL-UHFFFAOYSA-N -1 1 410.211 4.299 20 0 HIADMM Cc1cc(Br)c(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000322550103 855392560 /nfs/dbraw/zinc/39/25/60/855392560.db2.gz HHQDGPXNBFPDBD-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000322972868 855393667 /nfs/dbraw/zinc/39/36/67/855393667.db2.gz XGTZLSLOTWGUHF-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)ccc1F ZINC000323564278 855395590 /nfs/dbraw/zinc/39/55/90/855395590.db2.gz IZKKLMXIEZTFLK-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000323803652 855396499 /nfs/dbraw/zinc/39/64/99/855396499.db2.gz LUXPCSVVLAXLNN-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCCSC1)c1c(Cl)cc(Br)cc1Cl ZINC000384177742 855439562 /nfs/dbraw/zinc/43/95/62/855439562.db2.gz VXUSWMOXPRCTBE-QMMMGPOBSA-N -1 1 419.193 4.177 20 0 HIADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(I)ccc1[O-] ZINC000385811782 855441920 /nfs/dbraw/zinc/44/19/20/855441920.db2.gz UZSDQTKRDFPMSE-CYBMUJFWSA-N -1 1 421.278 4.438 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409451427 855485434 /nfs/dbraw/zinc/48/54/34/855485434.db2.gz GTNIIXRZNWIQEA-KUHUBIRLSA-N -1 1 401.825 4.291 20 0 HIADMM CCCc1occc1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000409831417 855677670 /nfs/dbraw/zinc/67/76/70/855677670.db2.gz KGBRIQCZROHTFO-UHFFFAOYSA-N -1 1 416.474 4.102 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)c(=O)[n-]1 ZINC000409937777 855734161 /nfs/dbraw/zinc/73/41/61/855734161.db2.gz LDUOONDVAMCQHV-JTQLQIEISA-N -1 1 400.331 4.329 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c2n[nH]cc21 ZINC000409976381 855756738 /nfs/dbraw/zinc/75/67/38/855756738.db2.gz KWBWWWLJFCCVKG-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CC1(c2ccccc2)CC(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000410082159 855811629 /nfs/dbraw/zinc/81/16/29/855811629.db2.gz WRRQGTZQKXYJIJ-UHFFFAOYSA-N -1 1 420.534 4.338 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(OCc3cn4ccccc4n3)cc2)c1 ZINC000410338092 855936393 /nfs/dbraw/zinc/93/63/93/855936393.db2.gz CWEUEYLZBYAGHE-UHFFFAOYSA-N -1 1 423.494 4.113 20 0 HIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000410412756 855982680 /nfs/dbraw/zinc/98/26/80/855982680.db2.gz FGMQANAVOUHBIP-UHFFFAOYSA-N -1 1 424.295 4.098 20 0 HIADMM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)n1 ZINC000425945563 856013507 /nfs/dbraw/zinc/01/35/07/856013507.db2.gz LFPREJSLIDRNMP-UHFFFAOYSA-N -1 1 411.314 4.051 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000425985847 856032542 /nfs/dbraw/zinc/03/25/42/856032542.db2.gz UALNBPAYNBPPCJ-UHFFFAOYSA-N -1 1 400.500 4.209 20 0 HIADMM Cc1ccc(-c2ocnc2C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000426290851 856223949 /nfs/dbraw/zinc/22/39/49/856223949.db2.gz KSHZSXVTEBKIGF-UHFFFAOYSA-N -1 1 410.886 4.998 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1ccc2sccc2c1 ZINC000426491741 856318696 /nfs/dbraw/zinc/31/86/96/856318696.db2.gz JSQZPHZUZIXJNB-UHFFFAOYSA-N -1 1 404.495 4.016 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)c(F)c1F ZINC000426496317 856320649 /nfs/dbraw/zinc/32/06/49/856320649.db2.gz BDPAJEPFWADUPA-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=C([O-])C[C@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccsc1 ZINC000426682308 856410549 /nfs/dbraw/zinc/41/05/49/856410549.db2.gz HLNFTRNMXXROPX-KRWDZBQOSA-N -1 1 409.433 4.317 20 0 HIADMM Cc1cc(Br)cc(CNCc2ccccc2CC(=O)[O-])c1OC(F)F ZINC000426690648 856415663 /nfs/dbraw/zinc/41/56/63/856415663.db2.gz BZYRGKKAWIAIOG-UHFFFAOYSA-N -1 1 414.246 4.276 20 0 HIADMM O=C([O-])[C@@H](CN1CCCCC1)NCc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000426741225 856445343 /nfs/dbraw/zinc/44/53/43/856445343.db2.gz DSNHUOOCOQCJLT-OAHLLOKOSA-N -1 1 414.358 4.146 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1cc(C)c2ncccc2c1)C(=O)[O-] ZINC000426741588 856446736 /nfs/dbraw/zinc/44/67/36/856446736.db2.gz FXLUEGHBEJTOHG-LJQANCHMSA-N -1 1 415.287 4.230 20 0 HIADMM O=C([O-])[C@@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccccc1F ZINC000426769245 856467336 /nfs/dbraw/zinc/46/73/36/856467336.db2.gz HFQICFHHFSTQIW-AWEZNQCLSA-N -1 1 404.182 4.105 20 0 HIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)o3)s2)cc1OC ZINC000426780211 856474652 /nfs/dbraw/zinc/47/46/52/856474652.db2.gz PKMGSGNDLQQOKQ-OAHLLOKOSA-N -1 1 402.472 4.034 20 0 HIADMM COc1ccccc1[C@H](NCc1cc(Br)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000426783437 856475880 /nfs/dbraw/zinc/47/58/80/856475880.db2.gz LGFNLJPKRZWCMZ-HNNXBMFYSA-N -1 1 418.209 4.392 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)o3)s2)c1OC ZINC000426797893 856484449 /nfs/dbraw/zinc/48/44/49/856484449.db2.gz HKOIFUMGXJTPPW-OAHLLOKOSA-N -1 1 402.472 4.034 20 0 HIADMM O=C([O-])C[C@H](NCc1ccc(Br)o1)c1cccc(Br)c1 ZINC000426827383 856502120 /nfs/dbraw/zinc/50/21/20/856502120.db2.gz IBXFAGHMPZWUAO-LBPRGKRZSA-N -1 1 403.070 4.110 20 0 HIADMM O=C([O-])C[C@@H](NCc1cc(Br)cc2c1OCC2)c1cccc(Cl)c1 ZINC000426828867 856503643 /nfs/dbraw/zinc/50/36/43/856503643.db2.gz WZQMPFXBRMTING-MRXNPFEDSA-N -1 1 410.695 4.343 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000427134206 856660233 /nfs/dbraw/zinc/66/02/33/856660233.db2.gz WZPGTOKRRWJRDB-QZTJIDSGSA-N -1 1 416.518 4.197 20 0 HIADMM CC1(C)CCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000427179252 856695081 /nfs/dbraw/zinc/69/50/81/856695081.db2.gz SIAJZUQBIJPOOZ-GOSISDBHSA-N -1 1 408.470 4.074 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(-c4n[nH]c(C5CC5)n4)c3)cc2s1 ZINC000427212898 856715974 /nfs/dbraw/zinc/71/59/74/856715974.db2.gz NYJYQCZEFBPMSC-UHFFFAOYSA-N -1 1 411.512 4.068 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(-c4noc(C5CC5)n4)c3)cc2s1 ZINC000427277724 856747853 /nfs/dbraw/zinc/74/78/53/856747853.db2.gz SPUKRVLNJVPFNX-UHFFFAOYSA-N -1 1 412.496 4.333 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H]4CCCC[C@@H]4C3)c2)c1 ZINC000427333975 856778189 /nfs/dbraw/zinc/77/81/89/856778189.db2.gz DYVQOFZBMJZABM-WOJBJXKFSA-N -1 1 412.555 4.366 20 0 HIADMM CCOc1cc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc(Cl)c1[O-] ZINC000427437016 856819342 /nfs/dbraw/zinc/81/93/42/856819342.db2.gz VHWNFAJAOGZJLJ-FQEVSTJZSA-N -1 1 401.890 4.268 20 0 HIADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3Br)[nH]c2c1 ZINC000427638027 856894234 /nfs/dbraw/zinc/89/42/34/856894234.db2.gz SHSHTYPWMYXQQF-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCS[C@H](C)CC3)cc2)cc1C ZINC000427926164 857010651 /nfs/dbraw/zinc/01/06/51/857010651.db2.gz VRUDRPVWLTXDGV-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCS[C@@H](C)CC3)c2)c1 ZINC000427961013 857023707 /nfs/dbraw/zinc/02/37/07/857023707.db2.gz WRTKIVIXYRGQSP-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000428026861 857048216 /nfs/dbraw/zinc/04/82/16/857048216.db2.gz GUEDFYDHUKIURT-CQSZACIVSA-N -1 1 418.209 4.024 20 0 HIADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000428102775 857071963 /nfs/dbraw/zinc/07/19/63/857071963.db2.gz WWWLDTLEOMJLEK-BCDXTJNWSA-N -1 1 424.444 4.035 20 0 HIADMM Cc1cncc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000428167152 857093821 /nfs/dbraw/zinc/09/38/21/857093821.db2.gz UYZGVHFOTNDUCJ-UHFFFAOYSA-N -1 1 409.511 4.071 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000428187560 857104440 /nfs/dbraw/zinc/10/44/40/857104440.db2.gz TYHHTNDAYTWWBQ-HDICACEKSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1ccc(NC(=O)CC(C)(F)F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000428367501 857177559 /nfs/dbraw/zinc/17/75/59/857177559.db2.gz RWSDDZBTKYLVJI-UHFFFAOYSA-N -1 1 402.850 4.433 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC[C@H]2CCC[C@H]21 ZINC000428525264 857239562 /nfs/dbraw/zinc/23/95/62/857239562.db2.gz YVYOJUXCXGINBM-AUUYWEPGSA-N -1 1 404.919 4.155 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000428525266 857239932 /nfs/dbraw/zinc/23/99/32/857239932.db2.gz YVYOJUXCXGINBM-KUHUBIRLSA-N -1 1 404.919 4.155 20 0 HIADMM CCc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)s1 ZINC000428538659 857251081 /nfs/dbraw/zinc/25/10/81/857251081.db2.gz RBQJGKSAXOUACT-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(CSc3ccccn3)c2)n1 ZINC000428703767 857302528 /nfs/dbraw/zinc/30/25/28/857302528.db2.gz UYPQFDKNYZRWHA-UHFFFAOYSA-N -1 1 412.540 4.163 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000428706042 857303673 /nfs/dbraw/zinc/30/36/73/857303673.db2.gz HPAOLMPDVCLUJB-VHSXEESVSA-N -1 1 400.331 4.409 20 0 HIADMM Cc1cscc1CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000429496992 857697954 /nfs/dbraw/zinc/69/79/54/857697954.db2.gz NHQIYBIUWJVNAN-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)cn2n1 ZINC000430358131 858133059 /nfs/dbraw/zinc/13/30/59/858133059.db2.gz KVUSEWQFRBHQAT-UHFFFAOYSA-N -1 1 414.874 4.284 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)[C@H]2CC[C@H](C)C2)c1 ZINC000430451936 858171953 /nfs/dbraw/zinc/17/19/53/858171953.db2.gz FHWCJZVTULTAIY-YJBOKZPZSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)cc2)cc1C ZINC000430459104 858176622 /nfs/dbraw/zinc/17/66/22/858176622.db2.gz PEVHSMLMIIVGMB-MGPUTAFESA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)cc2)c1 ZINC000430460821 858177515 /nfs/dbraw/zinc/17/75/15/858177515.db2.gz WTVDZCZDDORXDX-QRWLVFNGSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H]3CC[C@H](C)C3)c2)cc1F ZINC000430488362 858195553 /nfs/dbraw/zinc/19/55/53/858195553.db2.gz ZSFYSPABEDKSHX-KSSFIOAISA-N -1 1 404.507 4.196 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000431043101 858414855 /nfs/dbraw/zinc/41/48/55/858414855.db2.gz AOQNDCSMKAFDJT-RCDICMHDSA-N -1 1 420.488 4.064 20 0 HIADMM CCc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)o1 ZINC000431241237 858525112 /nfs/dbraw/zinc/52/51/12/858525112.db2.gz AELLUWFIKOTWCF-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM Cc1nsc(C)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000431267842 858540474 /nfs/dbraw/zinc/54/04/74/858540474.db2.gz ZNQQCZZXTUSEBA-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1noc2c1CCCC2 ZINC000431447922 858621039 /nfs/dbraw/zinc/62/10/39/858621039.db2.gz WMDXZODLUFVMOG-UHFFFAOYSA-N -1 1 416.069 4.036 20 0 HIADMM CCC[C@@H]1C[C@@H](C(=O)Nc2cc([O-])c(Br)cc2Br)CCO1 ZINC000431448645 858621073 /nfs/dbraw/zinc/62/10/73/858621073.db2.gz ZCHUGSNJDLAVDV-VHSXEESVSA-N -1 1 421.129 4.451 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC3CCC3)C(C)C)c2)cc1 ZINC000431531278 858658703 /nfs/dbraw/zinc/65/87/03/858658703.db2.gz JTEQHIMZNHJLPH-UHFFFAOYSA-N -1 1 416.543 4.147 20 0 HIADMM CC(C)N(CC1CCC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000431558828 858669835 /nfs/dbraw/zinc/66/98/35/858669835.db2.gz QYPUIROJRRWXMM-UHFFFAOYSA-N -1 1 404.507 4.277 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1noc(Cc2ccccc2)n1 ZINC000431889787 858857952 /nfs/dbraw/zinc/85/79/52/858857952.db2.gz NRUPHORGKSVMMS-LLVKDONJSA-N -1 1 412.298 4.007 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(O)ccc1Cl ZINC000432003128 858917277 /nfs/dbraw/zinc/91/72/77/858917277.db2.gz OGVVNUGIULOFEZ-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)ccc2o1 ZINC000432363355 859122620 /nfs/dbraw/zinc/12/26/20/859122620.db2.gz AQUUZSGRYCSZIH-UHFFFAOYSA-N -1 1 418.805 4.030 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)cc1Cl ZINC000432491138 859190808 /nfs/dbraw/zinc/19/08/08/859190808.db2.gz FTVWXKSYVPGQOC-UHFFFAOYSA-N -1 1 405.863 4.077 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2c(C)cc(C)cc2Br)c(=O)[n-]1 ZINC000432536618 859214677 /nfs/dbraw/zinc/21/46/77/859214677.db2.gz RFVFUZQITLPQTA-UHFFFAOYSA-N -1 1 410.337 4.163 20 0 HIADMM CCCc1c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cnn1-c1ccc(C)cc1 ZINC000432578791 859236691 /nfs/dbraw/zinc/23/66/91/859236691.db2.gz IHUIVKAIMUYTRF-UHFFFAOYSA-N -1 1 407.518 4.487 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1C ZINC000432626306 859259886 /nfs/dbraw/zinc/25/98/86/859259886.db2.gz IDFJNEFVRNDLRD-UHFFFAOYSA-N -1 1 413.952 4.313 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cscn4)no3)ccc2C)c1 ZINC000432677257 859286540 /nfs/dbraw/zinc/28/65/40/859286540.db2.gz IRSALYMHAIDIGA-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc(-c3cscn3)no2)cc1 ZINC000432680640 859289920 /nfs/dbraw/zinc/28/99/20/859289920.db2.gz LMTSMAYNKNENMZ-UHFFFAOYSA-N -1 1 418.887 4.314 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000432764729 859343896 /nfs/dbraw/zinc/34/38/96/859343896.db2.gz JMDSYKQYAROUMN-UHFFFAOYSA-N -1 1 418.559 4.410 20 0 HIADMM COc1cccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c1F ZINC000432813084 859370978 /nfs/dbraw/zinc/37/09/78/859370978.db2.gz LJANRLOQQXYZGW-UHFFFAOYSA-N -1 1 419.044 4.317 20 0 HIADMM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000433374176 859663143 /nfs/dbraw/zinc/66/31/43/859663143.db2.gz MASDJAXYJXOOCL-OAQYLSRUSA-N -1 1 424.570 4.056 20 0 HIADMM Cc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccoc3Cl)s2)c(C)c1 ZINC000433595985 859802394 /nfs/dbraw/zinc/80/23/94/859802394.db2.gz MBOSMRXNSQVYNX-UHFFFAOYSA-N -1 1 422.919 4.384 20 0 HIADMM CSC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCC1 ZINC000433688053 859837730 /nfs/dbraw/zinc/83/77/30/859837730.db2.gz BCRKETIEACOTOS-UHFFFAOYSA-N -1 1 424.975 4.156 20 0 HIADMM Cc1cc(F)ccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000433728036 859858043 /nfs/dbraw/zinc/85/80/43/859858043.db2.gz KTPJSKZEOREYQJ-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c(=O)[n-]1 ZINC000434258325 860235812 /nfs/dbraw/zinc/23/58/12/860235812.db2.gz XQWJCQYMIXNPQR-UHFFFAOYSA-N -1 1 421.513 4.395 20 0 HIADMM CCC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000434339129 860300190 /nfs/dbraw/zinc/30/01/90/860300190.db2.gz TWKQFCYZMSNARZ-UHFFFAOYSA-N -1 1 408.479 4.332 20 0 HIADMM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCS1 ZINC000434379110 860323335 /nfs/dbraw/zinc/32/33/35/860323335.db2.gz IQDUQFIYTYWYDJ-UHFFFAOYSA-N -1 1 424.975 4.108 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000434505601 860378290 /nfs/dbraw/zinc/37/82/90/860378290.db2.gz QEBQINXHSAKJTL-UHFFFAOYSA-N -1 1 414.509 4.344 20 0 HIADMM CCCNc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000434547298 860396024 /nfs/dbraw/zinc/39/60/24/860396024.db2.gz LXBVRTCMXXUQID-UHFFFAOYSA-N -1 1 423.538 4.239 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000434664165 860451803 /nfs/dbraw/zinc/45/18/03/860451803.db2.gz IZRHSYZKEGQVJN-NRFANRHFSA-N -1 1 416.525 4.137 20 0 HIADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1cc(F)ccc1Br ZINC000434959044 860574713 /nfs/dbraw/zinc/57/47/13/860574713.db2.gz JMNBLKPMTZZKJF-UHFFFAOYSA-N -1 1 402.289 4.160 20 0 HIADMM O=S(=O)([N-]c1ccc(Sc2ccncc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000435132928 860656716 /nfs/dbraw/zinc/65/67/16/860656716.db2.gz NBCXQTKWQPGNAX-UHFFFAOYSA-N -1 1 414.508 4.195 20 0 HIADMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3Br)cc2F)c1 ZINC000435142216 860662598 /nfs/dbraw/zinc/66/25/98/860662598.db2.gz FWCPAGGDPPCJCE-UHFFFAOYSA-N -1 1 424.295 4.192 20 0 HIADMM Cc1cc[nH]c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000435385486 860779381 /nfs/dbraw/zinc/77/93/81/860779381.db2.gz RVRQAKGKSAHKBD-UHFFFAOYSA-N -1 1 403.891 4.338 20 0 HIADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000435525388 860840877 /nfs/dbraw/zinc/84/08/77/860840877.db2.gz DFGKBPPUXZCZIM-SSKFGXFMSA-N -1 1 406.507 4.476 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)c(C)c3)cc21 ZINC000438761767 864257200 /nfs/dbraw/zinc/25/72/00/864257200.db2.gz SECWLARYAQYHPJ-UHFFFAOYSA-N -1 1 412.433 4.114 20 0 HIADMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)ccc2n1 ZINC000438764322 864259445 /nfs/dbraw/zinc/25/94/45/864259445.db2.gz OBKDWNPVQKOUFV-UHFFFAOYSA-N -1 1 412.284 4.320 20 0 HIADMM Cc1cc(OCc2ccccc2)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438771164 864265770 /nfs/dbraw/zinc/26/57/70/864265770.db2.gz HEXBPMFKBHQTTG-UHFFFAOYSA-N -1 1 415.442 4.212 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000438778402 864273495 /nfs/dbraw/zinc/27/34/95/864273495.db2.gz WXZPAWMTIQIWGD-UHFFFAOYSA-N -1 1 410.898 4.214 20 0 HIADMM CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438787177 864279720 /nfs/dbraw/zinc/27/97/20/864279720.db2.gz ARSQAJIYBPOCIL-UHFFFAOYSA-N -1 1 423.796 4.257 20 0 HIADMM O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)C(=O)c1ccc([O-])cc1 ZINC000438795944 864288072 /nfs/dbraw/zinc/28/80/72/864288072.db2.gz VVIGVFAMZWHBDE-UHFFFAOYSA-N -1 1 417.284 4.023 20 0 HIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000438811968 864304315 /nfs/dbraw/zinc/30/43/15/864304315.db2.gz QUGNRUFKILUACP-UHFFFAOYSA-N -1 1 402.285 4.314 20 0 HIADMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000438853505 864348537 /nfs/dbraw/zinc/34/85/37/864348537.db2.gz PKGYWGMXJSXMHV-UHFFFAOYSA-N -1 1 400.544 4.233 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CC1CCC1)c1ccccc1 ZINC000438984786 864447006 /nfs/dbraw/zinc/44/70/06/864447006.db2.gz GSYPJSRPIUBPFV-UHFFFAOYSA-N -1 1 402.498 4.319 20 0 HIADMM Cc1ccc(NC(=O)CC[C@H]2CC[C@H](C)O2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000439010522 864461519 /nfs/dbraw/zinc/46/15/19/864461519.db2.gz ZYYJNTBESBXNRH-FUHWJXTLSA-N -1 1 402.516 4.082 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)C3(C)CC3)cc2)ccc1F ZINC000439018086 864470240 /nfs/dbraw/zinc/47/02/40/864470240.db2.gz AWLOAXHUOJLVFH-OAHLLOKOSA-N -1 1 404.507 4.196 20 0 HIADMM C[C@H](N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1(C)CC1 ZINC000439026994 864483271 /nfs/dbraw/zinc/48/32/71/864483271.db2.gz NFWVURGAIWNYPC-AWEZNQCLSA-N -1 1 406.935 4.401 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(N3CCNC3=O)ccc2Cl)s1 ZINC000439045635 864498545 /nfs/dbraw/zinc/49/85/45/864498545.db2.gz XVLWCVSITAWOPZ-UHFFFAOYSA-N -1 1 413.952 4.029 20 0 HIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c2)n1 ZINC000467933315 881806213 /nfs/dbraw/zinc/80/62/13/881806213.db2.gz KFGOWWFBTOOTJW-UHFFFAOYSA-N -1 1 405.435 4.170 20 0 HIADMM Cc1cscc1NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000439479004 864846395 /nfs/dbraw/zinc/84/63/95/864846395.db2.gz PGJLFPFBWGZLEM-UHFFFAOYSA-N -1 1 419.503 4.318 20 0 HIADMM O=C(CC1(O)CCCCC1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000467938119 881809713 /nfs/dbraw/zinc/80/97/13/881809713.db2.gz LEZSUCYHZVWBTD-UHFFFAOYSA-N -1 1 422.934 4.165 20 0 HIADMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000467941287 881811525 /nfs/dbraw/zinc/81/15/25/881811525.db2.gz BVRBXMNOPTYBIP-AWEZNQCLSA-N -1 1 415.902 4.278 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1F ZINC000467952431 881818274 /nfs/dbraw/zinc/81/82/74/881818274.db2.gz MZFFVTQWGRAXRG-UHFFFAOYSA-N -1 1 401.740 4.446 20 0 HIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000439568908 864891919 /nfs/dbraw/zinc/89/19/19/864891919.db2.gz HQMJEOGIPJHRQG-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000439973346 865265398 /nfs/dbraw/zinc/26/53/98/865265398.db2.gz SIIJRFDUJYNKBY-BTYIYWSLSA-N -1 1 422.431 4.284 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000440392899 865686590 /nfs/dbraw/zinc/68/65/90/865686590.db2.gz SPVQTRRYEFWYNH-LADGPHEKSA-N -1 1 418.518 4.330 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCCC(F)(F)F)cc1 ZINC000440531243 865806147 /nfs/dbraw/zinc/80/61/47/865806147.db2.gz LYPMONACDCWKCT-UHFFFAOYSA-N -1 1 418.412 4.007 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000440629781 865848391 /nfs/dbraw/zinc/84/83/91/865848391.db2.gz OEYJMUQPNHRGRX-HNAYVOBHSA-N -1 1 406.486 4.078 20 0 HIADMM COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000440796241 865917705 /nfs/dbraw/zinc/91/77/05/865917705.db2.gz KOTGGQWMOOFYRI-INIZCTEOSA-N -1 1 413.477 4.432 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2c(n1)CCCC2 ZINC000441715262 866817250 /nfs/dbraw/zinc/81/72/50/866817250.db2.gz MEWHWIHWWVOXRX-UHFFFAOYSA-N -1 1 407.495 4.014 20 0 HIADMM CCc1ncsc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000441819296 866880149 /nfs/dbraw/zinc/88/01/49/866880149.db2.gz VXLFDJNYUVCLCR-UHFFFAOYSA-N -1 1 423.466 4.037 20 0 HIADMM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442324593 867327680 /nfs/dbraw/zinc/32/76/80/867327680.db2.gz QBXHFGQPXBEJCX-UHFFFAOYSA-N -1 1 406.573 4.139 20 0 HIADMM Cc1ccc(Oc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)cc2)cc1 ZINC000468217278 882100421 /nfs/dbraw/zinc/10/04/21/882100421.db2.gz BTIFHXFIDZZFEB-UHFFFAOYSA-N -1 1 402.410 4.097 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000442762375 867666973 /nfs/dbraw/zinc/66/69/73/867666973.db2.gz QQBYIVDFVBLVLU-QMMMGPOBSA-N -1 1 419.372 4.005 20 0 HIADMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)cc2O1 ZINC000442832323 867691599 /nfs/dbraw/zinc/69/15/99/867691599.db2.gz AYYJUBSQMKSTTQ-FQEVSTJZSA-N -1 1 400.456 4.348 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-c2ccccc2)cc1C(N)=O ZINC000442840339 867693179 /nfs/dbraw/zinc/69/31/79/867693179.db2.gz LAQKPENQYLIJHS-UHFFFAOYSA-N -1 1 400.887 4.215 20 0 HIADMM CC(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000442857458 867700632 /nfs/dbraw/zinc/70/06/32/867700632.db2.gz FWDHKDWZYJRKIL-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM COc1cc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc(Cl)c1[O-] ZINC000442947209 867758227 /nfs/dbraw/zinc/75/82/27/867758227.db2.gz SBJCGJXJEDPEJY-UHFFFAOYSA-N -1 1 407.854 4.330 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc(Cl)c1[O-] ZINC000442979336 867773760 /nfs/dbraw/zinc/77/37/60/867773760.db2.gz FOMZKHNTTWRYIK-UHFFFAOYSA-N -1 1 405.878 4.420 20 0 HIADMM COC(=O)C[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccc2ccccc2c1 ZINC000443126837 867832432 /nfs/dbraw/zinc/83/24/32/867832432.db2.gz ZVBIQGPEJBFKSG-SFHVURJKSA-N -1 1 413.857 4.242 20 0 HIADMM CCOc1cc(-c2nc(-c3cc(OC)c(OC)cc3OC)no2)cc(Cl)c1[O-] ZINC000443198933 867871315 /nfs/dbraw/zinc/87/13/15/867871315.db2.gz PRSYMOWKCGKRBR-UHFFFAOYSA-N -1 1 406.822 4.187 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1 ZINC000443396115 867954334 /nfs/dbraw/zinc/95/43/34/867954334.db2.gz ANNGLIGCYDDMGX-KRWDZBQOSA-N -1 1 416.543 4.209 20 0 HIADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1 ZINC000443410022 867991867 /nfs/dbraw/zinc/99/18/67/867991867.db2.gz YYORSFDLRYXJLW-UHFFFAOYSA-N -1 1 401.513 4.268 20 0 HIADMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)cc2N1 ZINC000443475690 868062184 /nfs/dbraw/zinc/06/21/84/868062184.db2.gz LRQUWKMSSXNYQI-UHFFFAOYSA-N -1 1 422.787 4.183 20 0 HIADMM C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccccc1 ZINC000443527720 868085730 /nfs/dbraw/zinc/08/57/30/868085730.db2.gz IFWXAPJYWHVXLD-HNNXBMFYSA-N -1 1 407.495 4.155 20 0 HIADMM CC[C@]1(C)Oc2ccc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)cc2O1 ZINC000443563975 868120202 /nfs/dbraw/zinc/12/02/02/868120202.db2.gz YVXZQHNEMWYCFX-HSZRJFAPSA-N -1 1 420.469 4.021 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)o1 ZINC000443863930 868396619 /nfs/dbraw/zinc/39/66/19/868396619.db2.gz BTUBBNLMHUUEDD-OAHLLOKOSA-N -1 1 404.532 4.147 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)cc1 ZINC000444209155 868666652 /nfs/dbraw/zinc/66/66/52/868666652.db2.gz BOCWDSQJKOIHTB-UHFFFAOYSA-N -1 1 414.449 4.154 20 0 HIADMM COc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)ccc1F ZINC000444321691 868750527 /nfs/dbraw/zinc/75/05/27/868750527.db2.gz TULOBCVKMSRUCI-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)C1(C)C ZINC000444339973 868766843 /nfs/dbraw/zinc/76/68/43/868766843.db2.gz HKDGYLRNVUHSGG-KDOFPFPSSA-N -1 1 400.519 4.035 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccc([C@H]2CCOC2)c1 ZINC000444358759 868785164 /nfs/dbraw/zinc/78/51/64/868785164.db2.gz ARQSXNBTXIGLEI-SFHVURJKSA-N -1 1 408.498 4.211 20 0 HIADMM CCC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cc1 ZINC000444369515 868793534 /nfs/dbraw/zinc/79/35/34/868793534.db2.gz UYLWLEIWAFKVSY-UHFFFAOYSA-N -1 1 424.497 4.065 20 0 HIADMM O=C(CCSCc1ccccn1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444372114 868795468 /nfs/dbraw/zinc/79/54/68/868795468.db2.gz IDTPATFZJHWELE-UHFFFAOYSA-N -1 1 413.543 4.112 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1[O-] ZINC000444390707 868805608 /nfs/dbraw/zinc/80/56/08/868805608.db2.gz HAUOHEXSRDIMAE-LJQANCHMSA-N -1 1 416.568 4.485 20 0 HIADMM Cc1cc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1F ZINC000444407829 868814350 /nfs/dbraw/zinc/81/43/50/868814350.db2.gz QAPMMZHNDKWFNL-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000444415370 868818971 /nfs/dbraw/zinc/81/89/71/868818971.db2.gz XPHVMELGBPJVIY-APPDUMDISA-N -1 1 410.695 4.410 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000444469505 868841699 /nfs/dbraw/zinc/84/16/99/868841699.db2.gz UADPEPZYHCYZGF-SJLPKXTDSA-N -1 1 410.562 4.454 20 0 HIADMM COc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000444470376 868842692 /nfs/dbraw/zinc/84/26/92/868842692.db2.gz ZMDPKANVTTUFDD-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CC[C@@H](C)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(F)(F)F ZINC000444536896 868873005 /nfs/dbraw/zinc/87/30/05/868873005.db2.gz VDDIKYOQAVKCRR-CXAGYDPISA-N -1 1 414.449 4.194 20 0 HIADMM COc1cc(NC(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)ccc1[N-]S(C)(=O)=O ZINC000444855371 869057993 /nfs/dbraw/zinc/05/79/93/869057993.db2.gz GCMQDRAWXGGYFG-GJZGRUSLSA-N -1 1 411.568 4.183 20 0 HIADMM CCOc1ccccc1CCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445390555 869476035 /nfs/dbraw/zinc/47/60/35/869476035.db2.gz IRUJJSQRKIFTFH-UHFFFAOYSA-N -1 1 419.275 4.397 20 0 HIADMM COc1cc(-c2noc(-c3ccnn3C3CCCC3)n2)cc(Br)c1[O-] ZINC000445389581 869476099 /nfs/dbraw/zinc/47/60/99/869476099.db2.gz CNWPZSPAOPRKHC-UHFFFAOYSA-N -1 1 405.252 4.192 20 0 HIADMM COc1cc(-c2noc([C@@H](C)Oc3cccc(F)c3)n2)cc(Br)c1[O-] ZINC000445391578 869477164 /nfs/dbraw/zinc/47/71/64/869477164.db2.gz KYWBWMPMWDUWNF-SECBINFHSA-N -1 1 409.211 4.492 20 0 HIADMM CCOc1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1OC ZINC000445394746 869480339 /nfs/dbraw/zinc/48/03/39/869480339.db2.gz RTVQUQZLKLWNDL-UHFFFAOYSA-N -1 1 421.247 4.288 20 0 HIADMM COc1cc(-c2noc(-c3ccnc(OC(C)C)c3)n2)cc(Br)c1[O-] ZINC000445395564 869481166 /nfs/dbraw/zinc/48/11/66/869481166.db2.gz UWTWCMWJSVTRPS-UHFFFAOYSA-N -1 1 406.236 4.063 20 0 HIADMM COc1cc(-c2noc(Cc3cccc4cccnc43)n2)cc(Br)c1[O-] ZINC000445400951 869485970 /nfs/dbraw/zinc/48/59/70/869485970.db2.gz GHTDGYIHZVNZEA-UHFFFAOYSA-N -1 1 412.243 4.352 20 0 HIADMM COc1cc(-c2noc(-c3ccc(C(F)(F)F)cn3)n2)cc(Br)c1[O-] ZINC000445405515 869490812 /nfs/dbraw/zinc/49/08/12/869490812.db2.gz SUJRHXKITQNFJI-UHFFFAOYSA-N -1 1 416.153 4.294 20 0 HIADMM CCOc1cc(-c2noc(C[C@H](C)NC(=O)C3CCCCC3)n2)cc(Cl)c1[O-] ZINC000445408996 869491990 /nfs/dbraw/zinc/49/19/90/869491990.db2.gz AXADDQIFRRBLGF-LBPRGKRZSA-N -1 1 407.898 4.122 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CC(=O)N(c4ccccc4F)C3)n2)cc(Cl)c1[O-] ZINC000445409878 869493147 /nfs/dbraw/zinc/49/31/47/869493147.db2.gz BZNQGWVTUQYQLA-LBPRGKRZSA-N -1 1 417.824 4.154 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)n2)cc(Cl)c1[O-] ZINC000445413188 869495913 /nfs/dbraw/zinc/49/59/13/869495913.db2.gz RNVZAKYZYUSODR-GFCCVEGCSA-N -1 1 407.898 4.246 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(N4CCCC4=O)ccc3F)n2)cc(Cl)c1[O-] ZINC000445422166 869506720 /nfs/dbraw/zinc/50/67/20/869506720.db2.gz LJQNAEHNVIRFTR-UHFFFAOYSA-N -1 1 417.824 4.427 20 0 HIADMM CCOc1cc(-c2noc(CCN3C(=O)CCc4ccccc43)n2)cc(Cl)c1[O-] ZINC000445430736 869515629 /nfs/dbraw/zinc/51/56/29/869515629.db2.gz KSVILCXMGOAFAE-UHFFFAOYSA-N -1 1 413.861 4.016 20 0 HIADMM CCOc1cc(-c2noc(-c3csc(-c4cnn(C)c4)n3)n2)cc(Cl)c1[O-] ZINC000445432082 869516796 /nfs/dbraw/zinc/51/67/96/869516796.db2.gz QXRQJTJOURQTEI-UHFFFAOYSA-N -1 1 403.851 4.018 20 0 HIADMM COc1ccc(Cl)cc1N1C[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CC1=O ZINC000445443220 869524963 /nfs/dbraw/zinc/52/49/63/869524963.db2.gz BLXZTMFYTVIGAB-SNVBAGLBSA-N -1 1 420.252 4.278 20 0 HIADMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)nnn1-c1cccc2ncccc21 ZINC000445445351 869526302 /nfs/dbraw/zinc/52/63/02/869526302.db2.gz JHUWRRRAEJGGCW-UHFFFAOYSA-N -1 1 404.817 4.200 20 0 HIADMM CSc1ccc(N2C[C@@H](c3nc(-c4ccc([O-])cc4Cl)no3)CC2=O)cc1 ZINC000445449780 869529931 /nfs/dbraw/zinc/52/99/31/869529931.db2.gz PKMLBXIBLFSRFJ-NSHDSACASA-N -1 1 401.875 4.338 20 0 HIADMM [O-]c1ccc(-c2noc([C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)n2)c(F)c1 ZINC000445455771 869533661 /nfs/dbraw/zinc/53/36/61/869533661.db2.gz FYJWJHNXWNQJGL-LLVKDONJSA-N -1 1 408.355 4.379 20 0 HIADMM O=C1C[C@H](c2nc(-c3ccc([O-])cc3F)no2)CN1Cc1cccc(C(F)(F)F)c1 ZINC000445465106 869540639 /nfs/dbraw/zinc/54/06/39/869540639.db2.gz XSQHEOXJFLDOGD-LBPRGKRZSA-N -1 1 421.350 4.116 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@H]4CCCOC4)no3)cc2)cc1C ZINC000445511371 869574155 /nfs/dbraw/zinc/57/41/55/869574155.db2.gz DNICEQOAVIKQSX-KRWDZBQOSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc([C@H]4CCCOC4)no3)cc2)cc1C ZINC000445519015 869579585 /nfs/dbraw/zinc/57/95/85/869579585.db2.gz NNNOMNYXDIXGDK-KRWDZBQOSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc([C@H]4CCCOC4)no3)ccc2C)c1 ZINC000445521728 869581577 /nfs/dbraw/zinc/58/15/77/869581577.db2.gz SHJSSQYDNNCOJX-KRWDZBQOSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1cc(Cl)ccc1Cc1noc(Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000445592341 869655454 /nfs/dbraw/zinc/65/54/54/869655454.db2.gz PRSYMVLTWHIGFA-UHFFFAOYSA-N -1 1 407.861 4.079 20 0 HIADMM Cc1cscc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000445634464 869701521 /nfs/dbraw/zinc/70/15/21/869701521.db2.gz IZEYDRRNUHQVIV-JTQLQIEISA-N -1 1 417.434 4.165 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3CCCCO3)ccc2C)c1 ZINC000445646256 869717216 /nfs/dbraw/zinc/71/72/16/869717216.db2.gz CRLBPWXNMNEYBP-IBGZPJMESA-N -1 1 402.516 4.002 20 0 HIADMM COc1ccc(NC(=O)CCCc2csc3ccccc23)cc1[N-]S(C)(=O)=O ZINC000445692734 869761320 /nfs/dbraw/zinc/76/13/20/869761320.db2.gz ROPCGAWIOCVTFE-UHFFFAOYSA-N -1 1 418.540 4.243 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](C(C)C)C3)cc2)cc1C ZINC000446516067 870435032 /nfs/dbraw/zinc/43/50/32/870435032.db2.gz WHFNKYPLJAZMRK-LJQANCHMSA-N -1 1 400.544 4.222 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)c(=O)[n-]1 ZINC000446637136 870543468 /nfs/dbraw/zinc/54/34/68/870543468.db2.gz IOAMGGJAJFNWRK-HXUWFJFHSA-N -1 1 411.502 4.190 20 0 HIADMM COc1ccc(F)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000446664857 870578738 /nfs/dbraw/zinc/57/87/38/870578738.db2.gz CSTFINGVKNLVKW-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c(C)n1 ZINC000446705623 870620717 /nfs/dbraw/zinc/62/07/17/870620717.db2.gz IFPRPCYUOGVKEM-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000468474794 882431271 /nfs/dbraw/zinc/43/12/71/882431271.db2.gz JXOKJXMWVMDZMA-UHFFFAOYSA-N -1 1 421.545 4.029 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2ncc3n2CCCC3)c1)c1cc(F)c(F)c(F)c1 ZINC000446960699 870862908 /nfs/dbraw/zinc/86/29/08/870862908.db2.gz PDBMLGRFRDWSEE-UHFFFAOYSA-N -1 1 407.417 4.105 20 0 HIADMM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1ccc(C(F)(F)F)cc1Cl ZINC000447261560 871140790 /nfs/dbraw/zinc/14/07/90/871140790.db2.gz ZELCYGHPZAUCEL-UHFFFAOYSA-N -1 1 420.775 4.084 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)c(C)c1 ZINC000447263480 871145331 /nfs/dbraw/zinc/14/53/31/871145331.db2.gz JJOPDRBQAJIETP-UHFFFAOYSA-N -1 1 406.410 4.270 20 0 HIADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447266298 871148778 /nfs/dbraw/zinc/14/87/78/871148778.db2.gz VTWPQRJBLGMJFT-UHFFFAOYSA-N -1 1 409.822 4.327 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1Br ZINC000447268264 871153400 /nfs/dbraw/zinc/15/34/00/871153400.db2.gz TZIFCSFUFVSDKV-UHFFFAOYSA-N -1 1 423.332 4.476 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3F)nc2)cc1Cl ZINC000447269732 871155170 /nfs/dbraw/zinc/15/51/70/871155170.db2.gz FJTBCNHSQQRBIJ-UHFFFAOYSA-N -1 1 422.821 4.165 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4ccco4)cc3F)c(Cl)cc2N1 ZINC000447274946 871164978 /nfs/dbraw/zinc/16/49/78/871164978.db2.gz QRZIZASOXXVUMX-UHFFFAOYSA-N -1 1 406.822 4.035 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc2c(c1)CCC2 ZINC000447276973 871170465 /nfs/dbraw/zinc/17/04/65/871170465.db2.gz FPLVPOFJBQKJDY-UHFFFAOYSA-N -1 1 409.389 4.045 20 0 HIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1Cl ZINC000447279628 871172444 /nfs/dbraw/zinc/17/24/44/871172444.db2.gz IGOMAQMPLBWPJJ-UHFFFAOYSA-N -1 1 401.250 4.027 20 0 HIADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)ccc1F ZINC000447398116 871309914 /nfs/dbraw/zinc/30/99/14/871309914.db2.gz QEAMRYSLDRBYNX-UHFFFAOYSA-N -1 1 406.866 4.135 20 0 HIADMM Cc1nc([C@@H](C)S(=O)(=O)c2nc(C(C)(C)C)n[n-]2)oc1-c1ccc(Cl)cc1 ZINC000447495539 871375622 /nfs/dbraw/zinc/37/56/22/871375622.db2.gz LMHKAIIPVOFJGG-LLVKDONJSA-N -1 1 408.911 4.254 20 0 HIADMM Cc1nc([C@@H](C)S(=O)(=O)c2n[n-]c(C(C)(C)C)n2)oc1-c1ccc(Cl)cc1 ZINC000447495539 871375638 /nfs/dbraw/zinc/37/56/38/871375638.db2.gz LMHKAIIPVOFJGG-LLVKDONJSA-N -1 1 408.911 4.254 20 0 HIADMM Cn1cc(Nc2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)c2)cn1 ZINC000447782738 871714430 /nfs/dbraw/zinc/71/44/30/871714430.db2.gz IRQSEQMSBMKQAL-UHFFFAOYSA-N -1 1 414.384 4.122 20 0 HIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447782615 871715243 /nfs/dbraw/zinc/71/52/43/871715243.db2.gz ZYEBWUMGGQLZSE-UHFFFAOYSA-N -1 1 410.211 4.299 20 0 HIADMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447786447 871718899 /nfs/dbraw/zinc/71/88/99/871718899.db2.gz GFVHDTKCSUDXDO-UHFFFAOYSA-N -1 1 410.211 4.299 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1Cl ZINC000447788749 871721418 /nfs/dbraw/zinc/72/14/18/871721418.db2.gz PMZVEBYGZTUTAN-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000447792323 871726694 /nfs/dbraw/zinc/72/66/94/871726694.db2.gz UIRYXCSYHAZKEM-UHFFFAOYSA-N -1 1 401.284 4.127 20 0 HIADMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447793328 871730260 /nfs/dbraw/zinc/73/02/60/871730260.db2.gz FLOGVLJTNUYZFB-UHFFFAOYSA-N -1 1 419.400 4.095 20 0 HIADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)cc2nc1C1CC1 ZINC000447899872 871809612 /nfs/dbraw/zinc/80/96/12/871809612.db2.gz XNTLKMUAMPUGMZ-UHFFFAOYSA-N -1 1 413.396 4.409 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ccc(C(C)(C)CC)cc3)CC2)n1 ZINC000448124472 871996749 /nfs/dbraw/zinc/99/67/49/871996749.db2.gz XVKBLXWNGGENOM-UHFFFAOYSA-N -1 1 413.522 4.081 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000448132135 872005704 /nfs/dbraw/zinc/00/57/04/872005704.db2.gz HKOPYGLIZDDHTN-UHFFFAOYSA-N -1 1 414.458 4.193 20 0 HIADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000448522248 872511690 /nfs/dbraw/zinc/51/16/90/872511690.db2.gz UZBRJRNLVABWSV-UHFFFAOYSA-N -1 1 421.682 4.220 20 0 HIADMM COc1cc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000460204115 872783907 /nfs/dbraw/zinc/78/39/07/872783907.db2.gz SZUDMJKNXWZWNI-OKILXGFUSA-N -1 1 416.905 4.425 20 0 HIADMM COCc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC000460412733 873067843 /nfs/dbraw/zinc/06/78/43/873067843.db2.gz PVTQNHZEOOVMCI-UHFFFAOYSA-N -1 1 407.438 4.431 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cnn1-c1ccc(Cl)cc1 ZINC000460412508 873068091 /nfs/dbraw/zinc/06/80/91/873068091.db2.gz NDHCSHPOAHBJDM-UHFFFAOYSA-N -1 1 401.797 4.052 20 0 HIADMM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460426435 873087796 /nfs/dbraw/zinc/08/77/96/873087796.db2.gz OQTCJDSAOGPBEA-UHFFFAOYSA-N -1 1 402.560 4.196 20 0 HIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)nc1-c1ccccc1 ZINC000460436429 873102304 /nfs/dbraw/zinc/10/23/04/873102304.db2.gz LJAQCWDESPXNAL-CRAIPNDOSA-N -1 1 421.522 4.278 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(OC3CCCC3)c(F)c2)c(=O)[n-]1 ZINC000460436306 873102808 /nfs/dbraw/zinc/10/28/08/873102808.db2.gz KCUQKIRGXCGUMW-UHFFFAOYSA-N -1 1 405.495 4.244 20 0 HIADMM CC(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460819522 873700863 /nfs/dbraw/zinc/70/08/63/873700863.db2.gz IMWYGUNGXPOKHP-UHFFFAOYSA-N -1 1 409.573 4.108 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)cc1 ZINC000460823239 873706480 /nfs/dbraw/zinc/70/64/80/873706480.db2.gz KYEZMFRIUPNGQC-UHFFFAOYSA-N -1 1 406.573 4.420 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)ccc1OC ZINC000460825728 873711206 /nfs/dbraw/zinc/71/12/06/873711206.db2.gz ZMNZUWSNBKVUGH-UHFFFAOYSA-N -1 1 423.556 4.233 20 0 HIADMM Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000460827390 873712604 /nfs/dbraw/zinc/71/26/04/873712604.db2.gz GNGHXICBCSOTAI-UHFFFAOYSA-N -1 1 424.588 4.082 20 0 HIADMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1C ZINC000460830765 873717269 /nfs/dbraw/zinc/71/72/69/873717269.db2.gz SMYLSOPSYLEJMN-UHFFFAOYSA-N -1 1 424.588 4.245 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(CSC(C)C)c3C)ccc21 ZINC000460843485 873734106 /nfs/dbraw/zinc/73/41/06/873734106.db2.gz XAZPHJBTTNBBKB-UHFFFAOYSA-N -1 1 418.584 4.346 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1)c1ccncc1 ZINC000461338609 874349575 /nfs/dbraw/zinc/34/95/75/874349575.db2.gz BHIMQQUFMJQLEW-UHFFFAOYSA-N -1 1 407.495 4.402 20 0 HIADMM CC(C)C1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC000461413726 874431525 /nfs/dbraw/zinc/43/15/25/874431525.db2.gz PLQIZJORXXDHCK-UHFFFAOYSA-N -1 1 404.507 4.135 20 0 HIADMM O=C(Nc1cc(C2CC2)ccn1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000461421357 874447838 /nfs/dbraw/zinc/44/78/38/874447838.db2.gz BNDCHSIDFYLONJ-UHFFFAOYSA-N -1 1 411.458 4.151 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000461484360 874545257 /nfs/dbraw/zinc/54/52/57/874545257.db2.gz FZMCLPIITTVGSK-YWZLYKJASA-N -1 1 402.491 4.031 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000461484358 874545316 /nfs/dbraw/zinc/54/53/16/874545316.db2.gz FZMCLPIITTVGSK-MGPUTAFESA-N -1 1 402.491 4.031 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000461494147 874563587 /nfs/dbraw/zinc/56/35/87/874563587.db2.gz IVHAIRIZICMFOU-YWZLYKJASA-N -1 1 402.491 4.031 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000461494143 874563666 /nfs/dbraw/zinc/56/36/66/874563666.db2.gz IVHAIRIZICMFOU-MGPUTAFESA-N -1 1 402.491 4.031 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)c1nc(C)cs1 ZINC000461576601 874680540 /nfs/dbraw/zinc/68/05/40/874680540.db2.gz LIUXTAQZCRACGR-UHFFFAOYSA-N -1 1 415.540 4.227 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)c1ccc(C)cc1 ZINC000462156578 875253135 /nfs/dbraw/zinc/25/31/35/875253135.db2.gz MNFFVKFFCFKOCV-AWEZNQCLSA-N -1 1 416.877 4.315 20 0 HIADMM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000462617175 875728550 /nfs/dbraw/zinc/72/85/50/875728550.db2.gz NDUVZNMAVHWGQG-LLVKDONJSA-N -1 1 423.840 4.113 20 0 HIADMM CSc1cccc([C@H]([N-]S(=O)(=O)c2c(C)noc2C)c2ccc(F)c(F)c2)c1 ZINC000462618427 875731206 /nfs/dbraw/zinc/73/12/06/875731206.db2.gz ROUZWSVGWJJZHJ-SFHVURJKSA-N -1 1 424.494 4.359 20 0 HIADMM CC[C@H](C)c1ccc([C@@H]([N-]S(=O)(=O)c2scnc2C(=O)OC)C(C)C)cc1 ZINC000462709503 875793051 /nfs/dbraw/zinc/79/30/51/875793051.db2.gz UMTIZRUZWVRZSA-BBRMVZONSA-N -1 1 410.561 4.119 20 0 HIADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(c3cccc(Cl)c3Cl)CC1)c2=O ZINC000462767585 875828664 /nfs/dbraw/zinc/82/86/64/875828664.db2.gz SHAAEERUCYDWLD-UHFFFAOYSA-N -1 1 405.285 4.001 20 0 HIADMM O=C(Nc1cc2c(cn1)CCCC2)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000462986166 876000983 /nfs/dbraw/zinc/00/09/83/876000983.db2.gz GJWLMOGVYCMCNL-UHFFFAOYSA-N -1 1 407.495 4.014 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC(c2ccccc2F)C1 ZINC000463006099 876020917 /nfs/dbraw/zinc/02/09/17/876020917.db2.gz CMFKZJRJMUAYSM-UHFFFAOYSA-N -1 1 401.235 4.082 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(c2cccc(Br)c2)CCCCC1 ZINC000463177922 876233911 /nfs/dbraw/zinc/23/39/11/876233911.db2.gz OFKWFYMLXFJXHE-UHFFFAOYSA-N -1 1 417.229 4.427 20 0 HIADMM Cc1cncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000463237666 876294013 /nfs/dbraw/zinc/29/40/13/876294013.db2.gz MNRZWGNNEPBSTK-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1Cl ZINC000463528905 876603633 /nfs/dbraw/zinc/60/36/33/876603633.db2.gz SBDYKRYFNOSPFC-UHFFFAOYSA-N -1 1 424.975 4.375 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cc1Cl ZINC000463529770 876605950 /nfs/dbraw/zinc/60/59/50/876605950.db2.gz YBKRBYUSOHIIRG-UHFFFAOYSA-N -1 1 412.964 4.309 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cccc(F)c1Cl ZINC000463561015 876649834 /nfs/dbraw/zinc/64/98/34/876649834.db2.gz XZNSHFUNTHRKKJ-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM CC[C@@H](C)C[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000463912821 877033922 /nfs/dbraw/zinc/03/39/22/877033922.db2.gz BSRDSZOOKRGYDH-CVEARBPZSA-N -1 1 406.523 4.110 20 0 HIADMM CCc1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)s1 ZINC000464097752 877253006 /nfs/dbraw/zinc/25/30/06/877253006.db2.gz WTDAANOCZHJBSA-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CCc3cccs3)c2)cc1 ZINC000464345838 877537427 /nfs/dbraw/zinc/53/74/27/877537427.db2.gz CETNVYAAZLBXGZ-UHFFFAOYSA-N -1 1 414.552 4.172 20 0 HIADMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1Cl ZINC000464536078 877750871 /nfs/dbraw/zinc/75/08/71/877750871.db2.gz GHNGUWWEDHJGMY-UHFFFAOYSA-N -1 1 421.277 4.290 20 0 HIADMM CC[C@H]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)O1 ZINC000464863473 878144264 /nfs/dbraw/zinc/14/42/64/878144264.db2.gz TVYIDHXKMKVULQ-WMZOPIPTSA-N -1 1 408.907 4.037 20 0 HIADMM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)O1 ZINC000464864787 878148589 /nfs/dbraw/zinc/14/85/89/878148589.db2.gz SSQSLKCFUXHRKP-RTBURBONSA-N -1 1 402.516 4.000 20 0 HIADMM CC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000465010141 878369700 /nfs/dbraw/zinc/36/97/00/878369700.db2.gz LYMRKQRJUXQHKF-WIYYLYMNSA-N -1 1 415.559 4.208 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc2cnccc21 ZINC000465032783 878396745 /nfs/dbraw/zinc/39/67/45/878396745.db2.gz HRQAOXGYIAXSOB-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000465084270 878445632 /nfs/dbraw/zinc/44/56/32/878445632.db2.gz KMWKFFIRSJACTL-HOTGVXAUSA-N -1 1 404.919 4.013 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000465084873 878448058 /nfs/dbraw/zinc/44/80/58/878448058.db2.gz NKYLQJKPILMQKV-IYBDPMFKSA-N -1 1 404.919 4.013 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000465085535 878448363 /nfs/dbraw/zinc/44/83/63/878448363.db2.gz SBDSOLZEWAWALG-HOTGVXAUSA-N -1 1 404.919 4.013 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H]3C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000465090705 878454936 /nfs/dbraw/zinc/45/49/36/878454936.db2.gz NJXMAHCRUVZLGR-IAGOWNOFSA-N -1 1 418.946 4.321 20 0 HIADMM Cc1c(F)cccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000465277447 878712988 /nfs/dbraw/zinc/71/29/88/878712988.db2.gz QPHSZFNCWJGYGG-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000465287064 878723998 /nfs/dbraw/zinc/72/39/98/878723998.db2.gz RDGYZAQKYWMBHX-UZLBHIALSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000465287061 878724853 /nfs/dbraw/zinc/72/48/53/878724853.db2.gz RDGYZAQKYWMBHX-OXQOHEQNSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000465293992 878733122 /nfs/dbraw/zinc/73/31/22/878733122.db2.gz DZSMGSFNOQNGAP-KDOFPFPSSA-N -1 1 406.935 4.401 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)C[C@H]3CC)c2)cc1 ZINC000465295441 878736155 /nfs/dbraw/zinc/73/61/55/878736155.db2.gz NEEYZEXPRWXTEB-VQIMIIECSA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000465297203 878739892 /nfs/dbraw/zinc/73/98/92/878739892.db2.gz SSNWPXWKPYPVEU-KSSFIOAISA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](CC(C)C)C3)c2)cc1 ZINC000465299634 878744070 /nfs/dbraw/zinc/74/40/70/878744070.db2.gz CPNRRISQPHHQSP-SFHVURJKSA-N -1 1 400.544 4.304 20 0 HIADMM CC(C)C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000465301754 878746837 /nfs/dbraw/zinc/74/68/37/878746837.db2.gz SJQGIEGCWSCQMA-OAHLLOKOSA-N -1 1 422.497 4.274 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](CC(C)C)C3)cc2)ccc1F ZINC000465314645 878758756 /nfs/dbraw/zinc/75/87/56/878758756.db2.gz HISCCGRSTIIMEV-QGZVFWFLSA-N -1 1 418.534 4.443 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](CC(C)C)C3)cc2)cc1 ZINC000465319274 878762765 /nfs/dbraw/zinc/76/27/65/878762765.db2.gz RGCAWWOVFQQBAA-GOSISDBHSA-N -1 1 400.544 4.304 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)s1 ZINC000465393820 878831669 /nfs/dbraw/zinc/83/16/69/878831669.db2.gz GTDAESPRMGJLNI-UHFFFAOYSA-N -1 1 419.503 4.261 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1 ZINC000503424963 912419711 /nfs/dbraw/zinc/41/97/11/912419711.db2.gz YAEWUYSALIGTGR-UHFFFAOYSA-N -1 1 420.534 4.318 20 0 HIADMM CCC[C@@H]1CCCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000466241833 879952256 /nfs/dbraw/zinc/95/22/56/879952256.db2.gz FISDCAVQBWZCRU-GOSISDBHSA-N -1 1 415.559 4.209 20 0 HIADMM Cc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000466458849 880238898 /nfs/dbraw/zinc/23/88/98/880238898.db2.gz RFMLHMDFAONKLX-CQSZACIVSA-N -1 1 419.890 4.003 20 0 HIADMM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1c[nH]c2cccc(F)c21 ZINC000466468318 880249965 /nfs/dbraw/zinc/24/99/65/880249965.db2.gz DSJHKKKZVPIKCH-UHFFFAOYSA-N -1 1 405.195 4.149 20 0 HIADMM CSc1cc2c(cc1[N-]C(=O)c1cc(COc3ccccc3F)on1)OCCO2 ZINC000466871611 880639122 /nfs/dbraw/zinc/63/91/22/880639122.db2.gz HXZWDUYOSFWUNX-UHFFFAOYSA-N -1 1 416.430 4.138 20 0 HIADMM Cc1cccc(OCCNC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000467203143 880932781 /nfs/dbraw/zinc/93/27/81/880932781.db2.gz VHQVFLATXPAFDC-KRWDZBQOSA-N -1 1 423.538 4.142 20 0 HIADMM CCOc1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000467207064 880936165 /nfs/dbraw/zinc/93/61/65/880936165.db2.gz OZGLKSFELJLGLL-UHFFFAOYSA-N -1 1 423.538 4.307 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)N(C)CCCOc2ccccc2)nc1-c1ccccc1 ZINC000467209619 880939009 /nfs/dbraw/zinc/93/90/09/880939009.db2.gz XXIQYWMBJDBRSX-UHFFFAOYSA-N -1 1 423.538 4.177 20 0 HIADMM CCC[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000467274896 881019394 /nfs/dbraw/zinc/01/93/94/881019394.db2.gz JUNWEUMWGYRXAG-INIZCTEOSA-N -1 1 404.507 4.279 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@]3(C)CCCS3)cc2)c1 ZINC000467317406 881063205 /nfs/dbraw/zinc/06/32/05/881063205.db2.gz YCVOCLLTXONKFL-NRFANRHFSA-N -1 1 418.584 4.120 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(F)(F)F)cc1 ZINC000467430863 881224845 /nfs/dbraw/zinc/22/48/45/881224845.db2.gz TYWYNDHFBJCFLU-UHFFFAOYSA-N -1 1 410.211 4.277 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@@H](C)CC(F)(F)F)c1 ZINC000469278564 883376739 /nfs/dbraw/zinc/37/67/39/883376739.db2.gz RXPVTNSBEKSMMQ-LBPRGKRZSA-N -1 1 418.412 4.006 20 0 HIADMM Cc1ccc(NC(=O)[C@H](C)OCc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000469487437 883721244 /nfs/dbraw/zinc/72/12/44/883721244.db2.gz HITFXDVVGRPLAT-SFHVURJKSA-N -1 1 424.522 4.340 20 0 HIADMM C[C@@H]1CCC[C@@H]1CC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000469508354 883759401 /nfs/dbraw/zinc/75/94/01/883759401.db2.gz KDLIMEFYSLVFOB-IEBWSBKVSA-N -1 1 400.544 4.272 20 0 HIADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)C(F)(F)F ZINC000469928742 884121744 /nfs/dbraw/zinc/12/17/44/884121744.db2.gz RDCMQLDBUPLENH-KRWDZBQOSA-N -1 1 414.449 4.175 20 0 HIADMM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC[C@@H]1c1ccccc1 ZINC000470013020 884230802 /nfs/dbraw/zinc/23/08/02/884230802.db2.gz LWXVWXUTPQENSE-WMZOPIPTSA-N -1 1 418.559 4.012 20 0 HIADMM COc1ccccc1S(=O)(=O)[N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000503834714 912836872 /nfs/dbraw/zinc/83/68/72/912836872.db2.gz WQUAODMSDKWLEZ-AWEZNQCLSA-N -1 1 413.339 4.296 20 0 HIADMM CCOC(=O)c1cnc(C(C)=CC2=Cc3cc(Br)ccc3OC2)[n-]c1=O ZINC000470296585 884673109 /nfs/dbraw/zinc/67/31/09/884673109.db2.gz FJAFWBFTAQHVJB-WDZFZDKYSA-N -1 1 417.259 4.001 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000470725048 885173309 /nfs/dbraw/zinc/17/33/09/885173309.db2.gz AMWJDCOBXQZWIP-SECBINFHSA-N -1 1 416.330 4.059 20 0 HIADMM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000470773027 885239481 /nfs/dbraw/zinc/23/94/81/885239481.db2.gz MLICGVNVIFFOPF-UHFFFAOYSA-N -1 1 402.365 4.234 20 0 HIADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000470845374 885341497 /nfs/dbraw/zinc/34/14/97/885341497.db2.gz PNJFYPQEPNZZGF-ZIAGYGMSSA-N -1 1 408.470 4.026 20 0 HIADMM C[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C(C)(C)C1 ZINC000470851463 885350001 /nfs/dbraw/zinc/35/00/01/885350001.db2.gz MVGVTBSSYLSSQZ-CYBMUJFWSA-N -1 1 408.470 4.026 20 0 HIADMM CCc1oc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1C ZINC000471159644 885710820 /nfs/dbraw/zinc/71/08/20/885710820.db2.gz AZDHPEZHUUBDMG-UHFFFAOYSA-N -1 1 420.437 4.482 20 0 HIADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)[nH]n1 ZINC000471500534 886201870 /nfs/dbraw/zinc/20/18/70/886201870.db2.gz MRSOEHPDWZIPER-MRVPVSSYSA-N -1 1 420.869 4.004 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)ccc1F ZINC000471588550 886300402 /nfs/dbraw/zinc/30/04/02/886300402.db2.gz CMLGBCOXKGNVDW-UHFFFAOYSA-N -1 1 411.520 4.047 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)ccc1F ZINC000471593880 886306895 /nfs/dbraw/zinc/30/68/95/886306895.db2.gz AOJBVPHUWJXZAT-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1nccs1 ZINC000471602620 886317153 /nfs/dbraw/zinc/31/71/53/886317153.db2.gz POHFSQHWPHBQCJ-SNVBAGLBSA-N -1 1 413.721 4.128 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)CC3(C)C)c2)cc1F ZINC000471698046 886406172 /nfs/dbraw/zinc/40/61/72/886406172.db2.gz NXPVXXUTTUVJOB-AWEZNQCLSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccn(C2CCCCC2)n1 ZINC000471741539 886464791 /nfs/dbraw/zinc/46/47/91/886464791.db2.gz NOYLGYMHYGUSQX-UHFFFAOYSA-N -1 1 424.526 4.441 20 0 HIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(Br)cc3C)c2C)o1 ZINC000471945390 886747306 /nfs/dbraw/zinc/74/73/06/886747306.db2.gz WNYDYJKKHMJGIB-UHFFFAOYSA-N -1 1 410.293 4.158 20 0 HIADMM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(F)c1 ZINC000471960248 886783008 /nfs/dbraw/zinc/78/30/08/886783008.db2.gz FTFDCCHULXZEMA-UHFFFAOYSA-N -1 1 408.426 4.202 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(Br)cc2C)cc1OC ZINC000471968839 886800120 /nfs/dbraw/zinc/80/01/20/886800120.db2.gz XHQBOUYEVGILOR-UHFFFAOYSA-N -1 1 418.284 4.023 20 0 HIADMM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000472067321 886874484 /nfs/dbraw/zinc/87/44/84/886874484.db2.gz FXBNNQGZKCEKPC-JOCHJYFZSA-N -1 1 423.538 4.193 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC[C@H]1Cc1ccccc1 ZINC000472167181 886967073 /nfs/dbraw/zinc/96/70/73/886967073.db2.gz CBFBLESZWBNCSN-NRFANRHFSA-N -1 1 424.497 4.084 20 0 HIADMM O=S(=O)([N-]c1cccc(F)c1F)c1c(Cl)cc(F)cc1Br ZINC000504252237 913118012 /nfs/dbraw/zinc/11/80/12/913118012.db2.gz HVYLBILJMAZKQI-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3ccc(Cl)cc3n2)c1 ZINC000504260673 913124003 /nfs/dbraw/zinc/12/40/03/913124003.db2.gz HMZFGMHWWIJWLX-UHFFFAOYSA-N -1 1 422.828 4.395 20 0 HIADMM CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000473308844 888056005 /nfs/dbraw/zinc/05/60/05/888056005.db2.gz KODOJBLRQGNIKO-UHFFFAOYSA-N -1 1 405.951 4.450 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)cc1 ZINC000473436409 888156994 /nfs/dbraw/zinc/15/69/94/888156994.db2.gz PIYYVFZQHFNAIZ-UHFFFAOYSA-N -1 1 415.284 4.046 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473952057 888826194 /nfs/dbraw/zinc/82/61/94/888826194.db2.gz VGUKVHVTWUYBER-TZMCWYRMSA-N -1 1 422.280 4.470 20 0 HIADMM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000474073657 888899895 /nfs/dbraw/zinc/89/98/95/888899895.db2.gz INSLQPGZPHSBMX-ZIAGYGMSSA-N -1 1 420.918 4.085 20 0 HIADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000474086649 888911317 /nfs/dbraw/zinc/91/13/17/888911317.db2.gz CTPNNFKLIDNWEX-FZKQIMNGSA-N -1 1 410.923 4.140 20 0 HIADMM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)ccc1Cl)c1cccs1 ZINC000504518283 913302689 /nfs/dbraw/zinc/30/26/89/913302689.db2.gz KUQVZOZEUMKZML-UHFFFAOYSA-N -1 1 408.936 4.187 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3CCC(=O)[C@@H]3C)ccc2C)c1 ZINC000474199537 889038022 /nfs/dbraw/zinc/03/80/22/889038022.db2.gz QUNWWRBYIYWWSV-IAGOWNOFSA-N -1 1 414.527 4.048 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F ZINC000474301754 889166326 /nfs/dbraw/zinc/16/63/26/889166326.db2.gz JNPGRXSZMBMYCS-NSHDSACASA-N -1 1 411.424 4.004 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000474497301 889358225 /nfs/dbraw/zinc/35/82/25/889358225.db2.gz NHPYNSKDTCGBTH-UHFFFAOYSA-N -1 1 405.502 4.240 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cc2ccccc2o1 ZINC000474541970 889418163 /nfs/dbraw/zinc/41/81/63/889418163.db2.gz OPNDLUIGSVDRFD-UHFFFAOYSA-N -1 1 424.453 4.303 20 0 HIADMM CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000474547381 889422729 /nfs/dbraw/zinc/42/27/29/889422729.db2.gz LIQLNNWDQBIARJ-UHFFFAOYSA-N -1 1 412.534 4.303 20 0 HIADMM CC(C)c1cccc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000474771976 889629544 /nfs/dbraw/zinc/62/95/44/889629544.db2.gz WPYBYHFKCIDDQE-UHFFFAOYSA-N -1 1 423.538 4.278 20 0 HIADMM C[C@H](Sc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000504681084 913418780 /nfs/dbraw/zinc/41/87/80/913418780.db2.gz SIJJGUBWXBXPJH-VIFPVBQESA-N -1 1 423.409 4.211 20 0 HIADMM O=C(Cc1ccoc1)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000475322161 890242164 /nfs/dbraw/zinc/24/21/64/890242164.db2.gz NLXRXUXCXFFWNA-UHFFFAOYSA-N -1 1 424.400 4.280 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCCC[C@@H]1C(F)F ZINC000504724588 913459680 /nfs/dbraw/zinc/45/96/80/913459680.db2.gz HPRPTOUJIWKAMB-QGZVFWFLSA-N -1 1 409.458 4.139 20 0 HIADMM O=C(N[C@H]1CCCOc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000504730899 913467779 /nfs/dbraw/zinc/46/77/79/913467779.db2.gz DMJBLXMZVRBRLU-NRFANRHFSA-N -1 1 422.506 4.131 20 0 HIADMM O=C(N[C@H]1CCCOc2ccccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000504731185 913468631 /nfs/dbraw/zinc/46/86/31/913468631.db2.gz FNUAMPICPDRXHB-NRFANRHFSA-N -1 1 422.506 4.131 20 0 HIADMM CCc1ccsc1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475733031 890673225 /nfs/dbraw/zinc/67/32/25/890673225.db2.gz ZIJBPKVPMRCZLN-UHFFFAOYSA-N -1 1 418.515 4.180 20 0 HIADMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3c(F)cccc3OC)ccc2s1 ZINC000475814051 890748489 /nfs/dbraw/zinc/74/84/89/890748489.db2.gz QANRNVGZQHRVTC-UHFFFAOYSA-N -1 1 409.460 4.027 20 0 HIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000475824421 890757818 /nfs/dbraw/zinc/75/78/18/890757818.db2.gz CYTXTYPVLQKTAT-UHFFFAOYSA-N -1 1 401.875 4.191 20 0 HIADMM Cc1ccc(-c2nc([N-]C(=O)c3cc4sc(N5CCCC5)nc4s3)n[nH]2)cc1 ZINC000475895782 890827913 /nfs/dbraw/zinc/82/79/13/890827913.db2.gz ABXFHPWDHHOXKA-UHFFFAOYSA-N -1 1 410.528 4.304 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCCc2c(O)cccc21 ZINC000476029013 890960631 /nfs/dbraw/zinc/96/06/31/890960631.db2.gz DBVYYTCPDUIPEG-OAQYLSRUSA-N -1 1 422.506 4.252 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000476054075 890983997 /nfs/dbraw/zinc/98/39/97/890983997.db2.gz YSPFRJSCXURXQF-HXUWFJFHSA-N -1 1 420.490 4.105 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CC(=O)c3ccccc32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000476059955 890989570 /nfs/dbraw/zinc/98/95/70/890989570.db2.gz KKYVLUXCGCZTBG-FQEVSTJZSA-N -1 1 420.490 4.105 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](c4ccccc4)C3)cc2)cc1 ZINC000476146509 891070317 /nfs/dbraw/zinc/07/03/17/891070317.db2.gz KHDAVCXCHYJWTK-OAQYLSRUSA-N -1 1 420.534 4.426 20 0 HIADMM COc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])c(OC(F)F)c1 ZINC000476187076 891119456 /nfs/dbraw/zinc/11/94/56/891119456.db2.gz GGHSGPKFTBNXDG-UHFFFAOYSA-N -1 1 402.191 4.325 20 0 HIADMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000476253461 891177036 /nfs/dbraw/zinc/17/70/36/891177036.db2.gz KKBRGMDUUJJNQJ-UHFFFAOYSA-N -1 1 410.421 4.093 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3F)cc2)c1 ZINC000476381380 891297586 /nfs/dbraw/zinc/29/75/86/891297586.db2.gz SOPGCAPBKSQWOG-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000476386876 891301484 /nfs/dbraw/zinc/30/14/84/891301484.db2.gz GVCURPMVYXDWSN-IRLDBZIGSA-N -1 1 400.544 4.128 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)c1 ZINC000476415100 891327731 /nfs/dbraw/zinc/32/77/31/891327731.db2.gz NTWYUSWLFGUEGJ-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3ccc(F)cc32)cc1 ZINC000476467873 891377883 /nfs/dbraw/zinc/37/78/83/891377883.db2.gz HUBNKNUMSGQBSA-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1 ZINC000476486990 891396618 /nfs/dbraw/zinc/39/66/18/891396618.db2.gz WASGFXOZBLAKCP-UHFFFAOYSA-N -1 1 414.531 4.403 20 0 HIADMM Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000476570902 891492261 /nfs/dbraw/zinc/49/22/61/891492261.db2.gz RRHQHDACRNGQGO-UHFFFAOYSA-N -1 1 410.218 4.038 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c2ccccc12 ZINC000476592060 891523219 /nfs/dbraw/zinc/52/32/19/891523219.db2.gz DALPZFZCTLDZQH-UHFFFAOYSA-N -1 1 424.507 4.118 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cccc(Cl)c1F ZINC000477064773 891997962 /nfs/dbraw/zinc/99/79/62/891997962.db2.gz WMWHLLKSDACELE-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000477215040 892148182 /nfs/dbraw/zinc/14/81/82/892148182.db2.gz CVFSFAPSDFFCNR-UHFFFAOYSA-N -1 1 413.568 4.206 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)c1 ZINC000477414530 892367965 /nfs/dbraw/zinc/36/79/65/892367965.db2.gz MKYHLQVPDSKESD-UHFFFAOYSA-N -1 1 420.874 4.199 20 0 HIADMM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000477431744 892382746 /nfs/dbraw/zinc/38/27/46/892382746.db2.gz OAVYREKEOGJMDV-UHFFFAOYSA-N -1 1 423.332 4.087 20 0 HIADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000477824354 892889511 /nfs/dbraw/zinc/88/95/11/892889511.db2.gz VDMIUEZLEUKBBH-KBMXLJTQSA-N -1 1 405.292 4.322 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccncc4)no3)cc2)c1 ZINC000504970184 913710016 /nfs/dbraw/zinc/71/00/16/913710016.db2.gz UTVQLXHACXOPHY-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM C[C@H]1CCC[C@H](C)C1NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000477969709 893062305 /nfs/dbraw/zinc/06/23/05/893062305.db2.gz ONHIRYORFDPVGD-IRXDYDNUSA-N -1 1 415.559 4.111 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccncc4)no3)ccc2C)c1 ZINC000504996342 913741844 /nfs/dbraw/zinc/74/18/44/913741844.db2.gz NEXBJBJYCRQUQU-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM COC(=O)c1cc(F)cc([N-]C(=O)c2csc(-c3c(F)cccc3F)n2)c1F ZINC000478075554 893239131 /nfs/dbraw/zinc/23/91/31/893239131.db2.gz LCOYKTYBVVHZIY-UHFFFAOYSA-N -1 1 410.348 4.405 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)[C@@H]1CCC(C)(C)C1 ZINC000478225139 893387269 /nfs/dbraw/zinc/38/72/69/893387269.db2.gz BCMUXEPEOCMBAW-MRXNPFEDSA-N -1 1 422.497 4.416 20 0 HIADMM O=C(CCc1nc2ccccc2o1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478430980 893728484 /nfs/dbraw/zinc/72/84/84/893728484.db2.gz UXHLSTDMXBGHAQ-UHFFFAOYSA-N -1 1 421.478 4.200 20 0 HIADMM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000478477162 893802972 /nfs/dbraw/zinc/80/29/72/893802972.db2.gz RPIHCXRRLFSLFX-SFHVURJKSA-N -1 1 400.544 4.386 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)c(=O)[n-]1 ZINC000478497061 893812989 /nfs/dbraw/zinc/81/29/89/893812989.db2.gz YSXXGHRGWZIEEW-UHFFFAOYSA-N -1 1 419.978 4.379 20 0 HIADMM C[C@H](CN(C)C(=O)c1oc2ccccc2c1CSc1cccs1)c1nn[n-]n1 ZINC000478596632 893865955 /nfs/dbraw/zinc/86/59/55/893865955.db2.gz XKVXISGWPHVXFW-GFCCVEGCSA-N -1 1 413.528 4.175 20 0 HIADMM CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2C1 ZINC000478605082 893870691 /nfs/dbraw/zinc/87/06/91/893870691.db2.gz YYQAOVZPYAOGDN-HZPDHXFCSA-N -1 1 420.561 4.165 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(CC1CC1)C1CCC1 ZINC000478607877 893872333 /nfs/dbraw/zinc/87/23/33/893872333.db2.gz AHGRRHZREHIVPY-UHFFFAOYSA-N -1 1 402.491 4.031 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1Cc2ccccc2C2(CC2)C1 ZINC000479037281 894299380 /nfs/dbraw/zinc/29/93/80/894299380.db2.gz XXZPZQXPPBWAPW-UHFFFAOYSA-N -1 1 418.518 4.175 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(-c2ccccc2)no1 ZINC000479080363 894345178 /nfs/dbraw/zinc/34/51/78/894345178.db2.gz UDPXDXRXKRBKJH-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(c1ccccn1)C2)c1ccc2ncsc2c1 ZINC000479159978 894429321 /nfs/dbraw/zinc/42/93/21/894429321.db2.gz PSMDURPDDJUOPZ-UHFFFAOYSA-N -1 1 408.508 4.012 20 0 HIADMM O=C(Nc1ccc2ncsc2c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000479220635 894482226 /nfs/dbraw/zinc/48/22/26/894482226.db2.gz RSHVQUFKYYMMDK-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Sc3ccncc3)cc1)OCO2 ZINC000479288758 894569525 /nfs/dbraw/zinc/56/95/25/894569525.db2.gz UEYLHSPLXJHYQX-UHFFFAOYSA-N -1 1 400.481 4.071 20 0 HIADMM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCO1 ZINC000479376760 894678396 /nfs/dbraw/zinc/67/83/96/894678396.db2.gz NCLNATIAWGEEOB-SCZZXKLOSA-N -1 1 416.790 4.036 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](C)C(F)(F)F)cc2)cc1C ZINC000479390984 894693845 /nfs/dbraw/zinc/69/38/45/894693845.db2.gz ANIRARSDUYLVIT-AWEZNQCLSA-N -1 1 414.449 4.032 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](C)[C@H]3CC)c2)cc1 ZINC000479401885 894706901 /nfs/dbraw/zinc/70/69/01/894706901.db2.gz IYOWKNUZYAZCMT-HRAATJIYSA-N -1 1 416.543 4.147 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c(=O)[n-]1 ZINC000479426208 894738420 /nfs/dbraw/zinc/73/84/20/894738420.db2.gz PDTFZIRVPJKFOO-QGZVFWFLSA-N -1 1 401.507 4.037 20 0 HIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000479472238 894793499 /nfs/dbraw/zinc/79/34/99/894793499.db2.gz WQYDDGRRVVPLKV-UHFFFAOYSA-N -1 1 418.906 4.065 20 0 HIADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1Cl ZINC000479482477 894805855 /nfs/dbraw/zinc/80/58/55/894805855.db2.gz TXBFYTIXBDUHHW-UHFFFAOYSA-N -1 1 415.854 4.070 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(N3CCCC3)sc2c1)c1ccc2ncsc2c1 ZINC000479492054 894812019 /nfs/dbraw/zinc/81/20/19/894812019.db2.gz UUAGEIXLTBCUJI-UHFFFAOYSA-N -1 1 416.553 4.307 20 0 HIADMM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479522469 894832716 /nfs/dbraw/zinc/83/27/16/894832716.db2.gz NIQBGLGWRSLKMT-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000479539520 894843228 /nfs/dbraw/zinc/84/32/28/894843228.db2.gz JRTPDDLLCJWKOU-UHFFFAOYSA-N -1 1 404.919 4.138 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc2N1CC1CC1 ZINC000479561191 894858917 /nfs/dbraw/zinc/85/89/17/894858917.db2.gz XMCIZULKAQSDKT-UHFFFAOYSA-N -1 1 424.444 4.195 20 0 HIADMM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000479562550 894859787 /nfs/dbraw/zinc/85/97/87/894859787.db2.gz JTGNUADCFHLJKF-MRXNPFEDSA-N -1 1 423.490 4.297 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000479771392 895072681 /nfs/dbraw/zinc/07/26/81/895072681.db2.gz WJJJKVYXKRCHMW-GOSISDBHSA-N -1 1 416.525 4.112 20 0 HIADMM O=S(=O)([N-]CC1(C(F)F)CC1)c1cc(Br)c(Cl)cc1Cl ZINC000480439581 895830932 /nfs/dbraw/zinc/83/09/32/895830932.db2.gz CXRHJNOKNAQFNN-UHFFFAOYSA-N -1 1 409.079 4.080 20 0 HIADMM Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000480501057 895871201 /nfs/dbraw/zinc/87/12/01/895871201.db2.gz UUBDQILYJHBZQK-QGZVFWFLSA-N -1 1 410.495 4.202 20 0 HIADMM CC(=O)c1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000480536289 895899397 /nfs/dbraw/zinc/89/93/97/895899397.db2.gz AWYZUPOXEMUNCS-UHFFFAOYSA-N -1 1 422.506 4.180 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c(F)c(F)cc(F)c1F ZINC000480555715 895916768 /nfs/dbraw/zinc/91/67/68/895916768.db2.gz OBTNJXONHPMWNI-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM O=S(=O)([N-][C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1sccc1Br ZINC000480748063 896109927 /nfs/dbraw/zinc/10/99/27/896109927.db2.gz GGSOYGMYMKUDGN-YPMHNXCESA-N -1 1 404.326 4.264 20 0 HIADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000481006397 896335977 /nfs/dbraw/zinc/33/59/77/896335977.db2.gz BPDQAEIDNGAVOK-OALUTQOASA-N -1 1 422.547 4.031 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC[C@H](C2CC2)C1 ZINC000481058245 896379354 /nfs/dbraw/zinc/37/93/54/896379354.db2.gz YQFDNDOJEMVAGT-INIZCTEOSA-N -1 1 404.919 4.013 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CC[C@H](C2CC2)C1 ZINC000481076942 896395129 /nfs/dbraw/zinc/39/51/29/896395129.db2.gz MDNBDQUZRVASTE-INIZCTEOSA-N -1 1 404.919 4.013 20 0 HIADMM O=S(=O)([N-][C@@H]1CC[C@H](c2cccc(F)c2)C1)c1sccc1Br ZINC000481259347 896609636 /nfs/dbraw/zinc/60/96/36/896609636.db2.gz ZTDVZMQTKCYNBG-WCQYABFASA-N -1 1 404.326 4.264 20 0 HIADMM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CCC(C)(C)C)c(OC)c1 ZINC000481453492 896849191 /nfs/dbraw/zinc/84/91/91/896849191.db2.gz GHSBHQRDEQFJJN-UHFFFAOYSA-N -1 1 420.531 4.134 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OCC3CCCCC3)cc2)ccc1[O-] ZINC000481577390 896956994 /nfs/dbraw/zinc/95/69/94/896956994.db2.gz AHBMSSINYRNQBZ-UHFFFAOYSA-N -1 1 418.515 4.111 20 0 HIADMM CC[C@H](C)CN(CC)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000481672254 897054523 /nfs/dbraw/zinc/05/45/23/897054523.db2.gz RWZVOYQHWMSNDH-KRWDZBQOSA-N -1 1 403.548 4.065 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1ccccc1F ZINC000481833443 897200816 /nfs/dbraw/zinc/20/08/16/897200816.db2.gz ZBSCGCUYTCPAJL-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c3ncccc23)cc1 ZINC000481851924 897217722 /nfs/dbraw/zinc/21/77/22/897217722.db2.gz BOXVGYBZNSCKCH-UHFFFAOYSA-N -1 1 409.511 4.229 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1Cl ZINC000481968750 897359933 /nfs/dbraw/zinc/35/99/33/897359933.db2.gz FPQMPSNPFMMXSZ-UHFFFAOYSA-N -1 1 417.874 4.287 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1ccc(F)cc1 ZINC000481976015 897369171 /nfs/dbraw/zinc/36/91/71/897369171.db2.gz UPVLCAMJRNTWTI-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CCSc1nnc([N-]C(=O)c2occc2CN2c3ccccc3C[C@@H]2C)s1 ZINC000482249036 897731445 /nfs/dbraw/zinc/73/14/45/897731445.db2.gz ZDFZLMYNSBNAKD-LBPRGKRZSA-N -1 1 400.529 4.447 20 0 HIADMM COC(C)(C)c1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n1 ZINC000482543766 898133434 /nfs/dbraw/zinc/13/34/34/898133434.db2.gz OTEQRKUDNQAYPY-UHFFFAOYSA-N -1 1 401.488 4.036 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2ccc(Br)s2)c1 ZINC000482608010 898209634 /nfs/dbraw/zinc/20/96/34/898209634.db2.gz UVKGTLKPPGUPKF-UHFFFAOYSA-N -1 1 405.111 4.468 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)NC(=O)Nc2ccccc2)c1 ZINC000482663202 898265742 /nfs/dbraw/zinc/26/57/42/898265742.db2.gz WRKCBERBGFBYIU-UHFFFAOYSA-N -1 1 406.280 4.002 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC(C)=C(C)C2)c1 ZINC000482895063 898512649 /nfs/dbraw/zinc/51/26/49/898512649.db2.gz SZGURKNXHQXVSG-UHFFFAOYSA-N -1 1 402.491 4.117 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000482937773 898560102 /nfs/dbraw/zinc/56/01/02/898560102.db2.gz AAMBCFLHYGYNJQ-OAQYLSRUSA-N -1 1 402.498 4.143 20 0 HIADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000483704566 899359935 /nfs/dbraw/zinc/35/99/35/899359935.db2.gz WRZQTBDNZRAORK-IFXJQAMLSA-N -1 1 404.507 4.196 20 0 HIADMM COc1cc([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)ccc1OC(C)C ZINC000484453251 899953003 /nfs/dbraw/zinc/95/30/03/899953003.db2.gz CPCSAJGTYIHTFN-GFCCVEGCSA-N -1 1 408.292 4.442 20 0 HIADMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)n1 ZINC000484576367 900043305 /nfs/dbraw/zinc/04/33/05/900043305.db2.gz OLIHMAWEEANCBE-UHFFFAOYSA-N -1 1 417.874 4.373 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(OCc2ccc(F)cc2)c1 ZINC000484693155 900129149 /nfs/dbraw/zinc/12/91/49/900129149.db2.gz DAIPGVVJELIBPL-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C(F)F)CC3)cc2)cc1C ZINC000484728537 900156149 /nfs/dbraw/zinc/15/61/49/900156149.db2.gz ZDOSMRFMXYGMAF-UHFFFAOYSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000484794908 900200518 /nfs/dbraw/zinc/20/05/18/900200518.db2.gz JNFAMDRSESPMJO-NXEZZACHSA-N -1 1 420.316 4.466 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(F)c(F)cc2N2CCCCC2)c(=O)[n-]1 ZINC000484892511 900275352 /nfs/dbraw/zinc/27/53/52/900275352.db2.gz FCNMXVZAAVRWJC-UHFFFAOYSA-N -1 1 422.501 4.052 20 0 HIADMM COc1ccc(-c2nc(C(=O)[N-]c3nnc(CC(F)(F)F)s3)cs2)cc1 ZINC000484964497 900326128 /nfs/dbraw/zinc/32/61/28/900326128.db2.gz OLWGLSMEDLCISA-UHFFFAOYSA-N -1 1 400.407 4.027 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3-c3ccc(F)cc3)cc2[nH]1 ZINC000485002758 900354957 /nfs/dbraw/zinc/35/49/57/900354957.db2.gz BHYCKKJKIUJFAD-UHFFFAOYSA-N -1 1 401.394 4.015 20 0 HIADMM Cc1nc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)sc1C ZINC000485023827 900369829 /nfs/dbraw/zinc/36/98/29/900369829.db2.gz KAOMWACZDGRXBM-UHFFFAOYSA-N -1 1 423.466 4.091 20 0 HIADMM Cc1ccc(NC(=O)c2cscn2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000485080830 900396411 /nfs/dbraw/zinc/39/64/11/900396411.db2.gz RYBACJXAHVQGKZ-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(Cl)cc2)c1 ZINC000485176007 900471863 /nfs/dbraw/zinc/47/18/63/900471863.db2.gz VDHKEXIGJWQDQW-UHFFFAOYSA-N -1 1 404.850 4.046 20 0 HIADMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485393774 900690375 /nfs/dbraw/zinc/69/03/75/900690375.db2.gz PWFJUPUKHKNWNQ-UHFFFAOYSA-N -1 1 404.507 4.224 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000485394549 900690819 /nfs/dbraw/zinc/69/08/19/900690819.db2.gz IERFKMLHVMIUGV-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H](O)CC(C)(C)C)ccc2C)c1 ZINC000485435523 900733004 /nfs/dbraw/zinc/73/30/04/900733004.db2.gz UTCWKVWAAOFFEJ-LJQANCHMSA-N -1 1 418.559 4.230 20 0 HIADMM Cc1ccnc(C)c1NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000485574780 900842771 /nfs/dbraw/zinc/84/27/71/900842771.db2.gz GWJWPDPLMCEEDC-UHFFFAOYSA-N -1 1 424.526 4.163 20 0 HIADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)c1ccc2ncsc2c1 ZINC000485663725 900914583 /nfs/dbraw/zinc/91/45/83/900914583.db2.gz BWMOSZQHGGEZBQ-VIFPVBQESA-N -1 1 424.263 4.098 20 0 HIADMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000485753296 901009956 /nfs/dbraw/zinc/00/99/56/901009956.db2.gz CXNJNIVXVFUGJF-UHFFFAOYSA-N -1 1 410.783 4.265 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC2(c3ccc(F)cc3F)CCCC2)c(=O)[n-]1 ZINC000485772818 901029292 /nfs/dbraw/zinc/02/92/92/901029292.db2.gz GEYPPLZDWKACSD-UHFFFAOYSA-N -1 1 421.513 4.052 20 0 HIADMM COc1ccc(-c2[nH]ncc2C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cc1 ZINC000485792697 901044010 /nfs/dbraw/zinc/04/40/10/901044010.db2.gz AFXZBHHFOUXGTC-UHFFFAOYSA-N -1 1 411.483 4.046 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000485893067 901125592 /nfs/dbraw/zinc/12/55/92/901125592.db2.gz OLHOTROXVCTETA-MRXNPFEDSA-N -1 1 414.658 4.161 20 0 HIADMM CCOc1ccccc1[C@H](CC)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000505866376 914514499 /nfs/dbraw/zinc/51/44/99/914514499.db2.gz PBIRPGWMNSSHGA-FQEVSTJZSA-N -1 1 420.513 4.151 20 0 HIADMM O=c1cc(/C=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc2nc[n-]n21 ZINC000486121802 901308972 /nfs/dbraw/zinc/30/89/72/901308972.db2.gz CIUGGOVQKKWIKN-FLIBITNWSA-N -1 1 414.856 4.094 20 0 HIADMM CCN(CC)S(=O)(=O)c1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1C ZINC000486170147 901356192 /nfs/dbraw/zinc/35/61/92/901356192.db2.gz XYERDVMVJPRQBG-UHFFFAOYSA-N -1 1 411.911 4.029 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000486183617 901369242 /nfs/dbraw/zinc/36/92/42/901369242.db2.gz AVKMYXXWBQTRPG-UHFFFAOYSA-N -1 1 423.922 4.254 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C(C)C)C3CCCC3)cc2)cc1 ZINC000486201964 901386713 /nfs/dbraw/zinc/38/67/13/901386713.db2.gz XYZXXCCGTFVPEG-UHFFFAOYSA-N -1 1 416.543 4.289 20 0 HIADMM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1cc(F)cc(Br)c1F ZINC000486556904 901703347 /nfs/dbraw/zinc/70/33/47/901703347.db2.gz HJYVITGEUPAEBH-UHFFFAOYSA-N -1 1 414.630 4.462 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000486770929 901843360 /nfs/dbraw/zinc/84/33/60/901843360.db2.gz IGFHZIVYNUENJI-WFASDCNBSA-N -1 1 417.303 4.067 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000486770923 901843386 /nfs/dbraw/zinc/84/33/86/901843386.db2.gz IGFHZIVYNUENJI-DOMZBBRYSA-N -1 1 417.303 4.067 20 0 HIADMM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000487953784 902479917 /nfs/dbraw/zinc/47/99/17/902479917.db2.gz UHSIQNMYIGMEFD-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCCO4)c2)c1 ZINC000505967643 914628648 /nfs/dbraw/zinc/62/86/48/914628648.db2.gz IOORIJOELXENCM-UHFFFAOYSA-N -1 1 422.506 4.373 20 0 HIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488250398 902724623 /nfs/dbraw/zinc/72/46/23/902724623.db2.gz KHOFQFFWCOHTNC-CQSZACIVSA-N -1 1 417.861 4.367 20 0 HIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000488281330 902743717 /nfs/dbraw/zinc/74/37/17/902743717.db2.gz HTPXRWUEPSVOFS-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000488289661 902751072 /nfs/dbraw/zinc/75/10/72/902751072.db2.gz FZGZMOLDCLIHOT-UHFFFAOYSA-N -1 1 415.902 4.351 20 0 HIADMM O=S(=O)([N-]c1cc(-c2ccncc2)n[nH]1)c1cc(Cl)ccc1OCCC1CC1 ZINC000488467336 902839684 /nfs/dbraw/zinc/83/96/84/902839684.db2.gz VUJHQHXKHIREPE-UHFFFAOYSA-N -1 1 418.906 4.105 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000488945965 903093239 /nfs/dbraw/zinc/09/32/39/903093239.db2.gz PSMAJUGQJCKATH-INIZCTEOSA-N -1 1 422.497 4.412 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCCC(F)(F)C3)c2)c1 ZINC000488967583 903099262 /nfs/dbraw/zinc/09/92/62/903099262.db2.gz BSITYJAKZILGQQ-SFHVURJKSA-N -1 1 422.497 4.412 20 0 HIADMM CSC[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000489285088 903308653 /nfs/dbraw/zinc/30/86/53/903308653.db2.gz ACFZQRAKZALIDN-QGZVFWFLSA-N -1 1 424.975 4.108 20 0 HIADMM CSC[C@@H]1CCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000489308761 903323691 /nfs/dbraw/zinc/32/36/91/903323691.db2.gz VWIBRQUQHKBTKU-IBGZPJMESA-N -1 1 418.584 4.072 20 0 HIADMM O=C(C[C@@H]1C=CCCC1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000489459092 903395561 /nfs/dbraw/zinc/39/55/61/903395561.db2.gz BZUDLSMJWLHNOD-CQSZACIVSA-N -1 1 406.454 4.451 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(OCC(F)(F)F)cc3)ccc21 ZINC000489720524 903559400 /nfs/dbraw/zinc/55/94/00/903559400.db2.gz LUWIRDZBCJESGB-UHFFFAOYSA-N -1 1 413.421 4.359 20 0 HIADMM Cc1cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c(F)cc1Br ZINC000490058479 903749983 /nfs/dbraw/zinc/74/99/83/903749983.db2.gz JUMJTBGNBKTMQK-UHFFFAOYSA-N -1 1 402.223 4.103 20 0 HIADMM CCOc1cc(C(=O)N2CCc3c(ncn3-c3ccc(C)cc3)C2)cc(Cl)c1[O-] ZINC000490342950 903935413 /nfs/dbraw/zinc/93/54/13/903935413.db2.gz GLYDVFCXZWVWKM-UHFFFAOYSA-N -1 1 411.889 4.137 20 0 HIADMM Cc1cccc(O)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000490671551 904165936 /nfs/dbraw/zinc/16/59/36/904165936.db2.gz OHBVJXXZVBESHU-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000491410427 904582933 /nfs/dbraw/zinc/58/29/33/904582933.db2.gz QXDVUBNLVLOAFA-UHFFFAOYSA-N -1 1 423.494 4.088 20 0 HIADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1Br ZINC000491592577 904665351 /nfs/dbraw/zinc/66/53/51/904665351.db2.gz WXDUTVPBZOSASP-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000491610847 904676194 /nfs/dbraw/zinc/67/61/94/904676194.db2.gz VBGDYEQYTFSARL-UHFFFAOYSA-N -1 1 423.494 4.056 20 0 HIADMM C[C@H]1C[C@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H](C)C1 ZINC000506190315 914839272 /nfs/dbraw/zinc/83/92/72/914839272.db2.gz NWKRQJCUOOSVNU-DZFIZOCASA-N -1 1 400.544 4.176 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)ccc1C ZINC000493278027 905075936 /nfs/dbraw/zinc/07/59/36/905075936.db2.gz CBJMVHIHGIKQLO-UHFFFAOYSA-N -1 1 420.494 4.298 20 0 HIADMM O=C(N[C@@H]1CCCc2occc21)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000493302717 905080664 /nfs/dbraw/zinc/08/06/64/905080664.db2.gz IGPRACABQVWECY-LJQANCHMSA-N -1 1 414.458 4.027 20 0 HIADMM COc1cc(NC(=O)N2CCC[C@H]2CCC2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000494186770 905521712 /nfs/dbraw/zinc/52/17/12/905521712.db2.gz VGYMCGZJVQSXJX-SFHVURJKSA-N -1 1 423.579 4.424 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000494535479 905817162 /nfs/dbraw/zinc/81/71/62/905817162.db2.gz CLOJZOBIRWDNQW-UHFFFAOYSA-N -1 1 413.948 4.166 20 0 HIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000494603519 905859371 /nfs/dbraw/zinc/85/93/71/905859371.db2.gz TZIGIPFNNAVGDW-UHFFFAOYSA-N -1 1 414.449 4.419 20 0 HIADMM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000494614386 905862995 /nfs/dbraw/zinc/86/29/95/905862995.db2.gz HYFRKOYSYDCSFF-UHFFFAOYSA-N -1 1 415.311 4.327 20 0 HIADMM CC(C)Cc1cc(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)n[nH]1 ZINC000494629032 905871809 /nfs/dbraw/zinc/87/18/09/905871809.db2.gz FNPUWQXBCNXMTR-UHFFFAOYSA-N -1 1 413.503 4.053 20 0 HIADMM Cc1ccc(NC(=O)c2csc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000494649092 905882643 /nfs/dbraw/zinc/88/26/43/905882643.db2.gz OXLAOBQDVMTXRR-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4F)cc3)cc2o1 ZINC000494651536 905884117 /nfs/dbraw/zinc/88/41/17/905884117.db2.gz VJCNBOVDGWYSGE-UHFFFAOYSA-N -1 1 414.414 4.052 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000495008292 906168880 /nfs/dbraw/zinc/16/88/80/906168880.db2.gz XNHQBOQOETUUDA-UHFFFAOYSA-N -1 1 411.483 4.278 20 0 HIADMM C[C@H](CCCC(F)(F)F)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000495097993 906238554 /nfs/dbraw/zinc/23/85/54/906238554.db2.gz ADWWXGCJUGVAEO-CQSZACIVSA-N -1 1 414.449 4.338 20 0 HIADMM O=C(C/C=C/c1ccccc1F)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000495102166 906241196 /nfs/dbraw/zinc/24/11/96/906241196.db2.gz PSAKHDCUFSUCLW-DHZHZOJOSA-N -1 1 424.497 4.346 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000495371084 906410574 /nfs/dbraw/zinc/41/05/74/906410574.db2.gz ZBUQGIZDKSYXLH-UHFFFAOYSA-N -1 1 410.695 4.492 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1ncc(-c2ccc(F)cc2)o1)c1nc(C)cs1 ZINC000495454058 906459849 /nfs/dbraw/zinc/45/98/49/906459849.db2.gz HJKDRNVNXFCEQT-INIZCTEOSA-N -1 1 420.487 4.254 20 0 HIADMM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000496735732 906747058 /nfs/dbraw/zinc/74/70/58/906747058.db2.gz GQTICPLJPFSLTA-INIZCTEOSA-N -1 1 412.486 4.426 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(C1CC1)C1CC1 ZINC000496967651 906787208 /nfs/dbraw/zinc/78/72/08/906787208.db2.gz NFCMKFJMJNQBQC-UHFFFAOYSA-N -1 1 418.946 4.401 20 0 HIADMM CC1(C)CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000497124143 906809517 /nfs/dbraw/zinc/80/95/17/906809517.db2.gz FKVWXUWXBVSSSL-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM Clc1ccc(-c2nnc(SCc3nn[n-]n3)n2Cc2ccccc2)c(Cl)c1 ZINC000497225858 906822472 /nfs/dbraw/zinc/82/24/72/906822472.db2.gz DCFAGVQULLIWDC-UHFFFAOYSA-N -1 1 418.313 4.106 20 0 HIADMM COc1cccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000497324815 906834171 /nfs/dbraw/zinc/83/41/71/906834171.db2.gz RERLHWGBOBJMTB-QGZVFWFLSA-N -1 1 424.522 4.295 20 0 HIADMM Cc1ccc(-n2c(SCc3nn[n-]n3)nnc2-c2ccc(Cl)cc2)cc1Cl ZINC000497370833 906859959 /nfs/dbraw/zinc/85/99/59/906859959.db2.gz ZKRBNSNJQSVAKL-UHFFFAOYSA-N -1 1 418.313 4.355 20 0 HIADMM CSc1ccc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000497438992 906913468 /nfs/dbraw/zinc/91/34/68/906913468.db2.gz MUJNXBONRVBWJP-UHFFFAOYSA-N -1 1 412.536 4.486 20 0 HIADMM O=C(Nc1ccc2ccccc2n1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000497502709 906989519 /nfs/dbraw/zinc/98/95/19/906989519.db2.gz YNSIORWUZNXSMX-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000497879764 907354229 /nfs/dbraw/zinc/35/42/29/907354229.db2.gz LODBHCSUQHUSGY-UHFFFAOYSA-N -1 1 420.441 4.017 20 0 HIADMM CC(C)n1ncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C1CC1 ZINC000497923226 907392218 /nfs/dbraw/zinc/39/22/18/907392218.db2.gz XALFBHWJPKCBHB-UHFFFAOYSA-N -1 1 424.526 4.395 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000497945688 907412187 /nfs/dbraw/zinc/41/21/87/907412187.db2.gz BMGQUFSAGLUURQ-UHFFFAOYSA-N -1 1 416.396 4.386 20 0 HIADMM C[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1 ZINC000512827534 921331283 /nfs/dbraw/zinc/33/12/83/921331283.db2.gz KGXVABYHENXCQU-MRXNPFEDSA-N -1 1 412.486 4.160 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccn(C(C)C)n3)ccc2C)c1 ZINC000498030869 907532544 /nfs/dbraw/zinc/53/25/44/907532544.db2.gz SYOQEVXDVZYWPL-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM C[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000512828316 921332885 /nfs/dbraw/zinc/33/28/85/921332885.db2.gz OHQMYALVSANVEJ-MRXNPFEDSA-N -1 1 412.486 4.160 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)ccc2C)c1 ZINC000498078195 907586601 /nfs/dbraw/zinc/58/66/01/907586601.db2.gz PSRFCAIBSZQBCP-SJORKVTESA-N -1 1 414.527 4.048 20 0 HIADMM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498202365 907734473 /nfs/dbraw/zinc/73/44/73/907734473.db2.gz QXARCXNDNYGAHZ-OAQYLSRUSA-N -1 1 416.543 4.472 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(NC(=O)CC)ccc1Cl ZINC000498282681 907817238 /nfs/dbraw/zinc/81/72/38/907817238.db2.gz UZIKMGIMZDXGOU-UHFFFAOYSA-N -1 1 423.922 4.093 20 0 HIADMM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000498322895 907839812 /nfs/dbraw/zinc/83/98/12/907839812.db2.gz BAQOUMJWEPBSRJ-INIZCTEOSA-N -1 1 412.486 4.460 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)cc1F ZINC000498409093 907887022 /nfs/dbraw/zinc/88/70/22/907887022.db2.gz MJXBSLOQLONSKI-UHFFFAOYSA-N -1 1 421.494 4.043 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(C)c3)cc2)cc1 ZINC000498486704 907957506 /nfs/dbraw/zinc/95/75/06/907957506.db2.gz TUUCGKVKGAFQKO-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)c1 ZINC000498845981 908249679 /nfs/dbraw/zinc/24/96/79/908249679.db2.gz GNEBXCFAZQUITE-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)n1 ZINC000499251890 908624232 /nfs/dbraw/zinc/62/42/32/908624232.db2.gz DUFOWGFEJQHJKN-UHFFFAOYSA-N -1 1 400.485 4.397 20 0 HIADMM CCCc1nc(C(=O)[N-]c2nnc(SCC)s2)nn1-c1ccccc1Cl ZINC000499322384 908696006 /nfs/dbraw/zinc/69/60/06/908696006.db2.gz UKQGONLALKTRIP-UHFFFAOYSA-N -1 1 408.940 4.089 20 0 HIADMM O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(Br)c([O-])c1 ZINC000499725058 908891978 /nfs/dbraw/zinc/89/19/78/908891978.db2.gz JNOSCDCEZPWUPG-UHFFFAOYSA-N -1 1 413.271 4.059 20 0 HIADMM Cc1ncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)s1 ZINC000499816634 908948208 /nfs/dbraw/zinc/94/82/08/908948208.db2.gz MMHAISPUJXQXPH-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CCC[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000500004866 909452878 /nfs/dbraw/zinc/45/28/78/909452878.db2.gz LGXAZHDWSCAZGV-HNNXBMFYSA-N -1 1 420.531 4.269 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3CC(C)C)c2)cc1 ZINC000500140931 909619499 /nfs/dbraw/zinc/61/94/99/909619499.db2.gz CKJPVTUXTIJHBR-HXUWFJFHSA-N -1 1 400.544 4.447 20 0 HIADMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc(F)c1F ZINC000500158277 909638691 /nfs/dbraw/zinc/63/86/91/909638691.db2.gz WTCHNANEZNKIPJ-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)cc1C(F)(F)F ZINC000500326574 909786202 /nfs/dbraw/zinc/78/62/02/909786202.db2.gz QJQUPLMZDRECGL-INIZCTEOSA-N -1 1 415.433 4.372 20 0 HIADMM CCC[C@H]1CCc2nc(NC(=O)CCc3c(C)nc(SC)[n-]c3=O)sc2C1 ZINC000500332287 909792100 /nfs/dbraw/zinc/79/21/00/909792100.db2.gz QUBWXNFXRXGAJI-LBPRGKRZSA-N -1 1 406.577 4.145 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cccc1C(=O)N1CCCC1 ZINC000500332488 909792197 /nfs/dbraw/zinc/79/21/97/909792197.db2.gz UDWMMCZTXUYTSV-UHFFFAOYSA-N -1 1 413.326 4.339 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCSCC2)cc1F ZINC000500367438 909815942 /nfs/dbraw/zinc/81/59/42/909815942.db2.gz SDPCPDNVPMRSNH-UHFFFAOYSA-N -1 1 400.928 4.142 20 0 HIADMM O=C(Nc1ccc(-c2ncco2)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000500588897 909950904 /nfs/dbraw/zinc/95/09/04/909950904.db2.gz XIVJSPWPBLHERT-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM Cc1ncc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)s1 ZINC000500833909 910111168 /nfs/dbraw/zinc/11/11/68/910111168.db2.gz ALFAQVCIQISQAK-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM O=C(NC1CC(c2ccccc2)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000500948146 910199693 /nfs/dbraw/zinc/19/96/93/910199693.db2.gz SBZGLYFYGRKYJM-UHFFFAOYSA-N -1 1 406.507 4.163 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC=C(c2ccccc2F)C1 ZINC000501585503 910692095 /nfs/dbraw/zinc/69/20/95/910692095.db2.gz QOECSAWFPFZHJH-UHFFFAOYSA-N -1 1 422.481 4.166 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](C)[C@H](C)C3)c2)cc1F ZINC000501620162 910721346 /nfs/dbraw/zinc/72/13/46/910721346.db2.gz ZCEBSHQGOKJXPP-GDBMZVCRSA-N -1 1 404.507 4.053 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CC)cc2C)c(C)c1 ZINC000501797149 910848873 /nfs/dbraw/zinc/84/88/73/910848873.db2.gz NZZPAKILKHAMHT-INIZCTEOSA-N -1 1 404.532 4.031 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3CCC(F)(F)CC3)c2)cc1 ZINC000501815722 910863960 /nfs/dbraw/zinc/86/39/60/910863960.db2.gz SLBDTRWRZFTQSL-UHFFFAOYSA-N -1 1 422.497 4.351 20 0 HIADMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21 ZINC000501862883 910893704 /nfs/dbraw/zinc/89/37/04/910893704.db2.gz QOCZKPWXCJXZMB-UHFFFAOYSA-N -1 1 406.507 4.454 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCc4cccc(O)c43)cc2)cc1 ZINC000501978540 910960690 /nfs/dbraw/zinc/96/06/90/910960690.db2.gz LJSFVLFDJUGLDW-UHFFFAOYSA-N -1 1 422.506 4.094 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)cc1 ZINC000502040250 910994352 /nfs/dbraw/zinc/99/43/52/910994352.db2.gz DHTVMHHRFPXDLL-MRXNPFEDSA-N -1 1 422.497 4.351 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](C)C[C@@H](C)C3)c2)cc1 ZINC000502218402 911161309 /nfs/dbraw/zinc/16/13/09/911161309.db2.gz HTHHTKICHQLKFA-IAGOWNOFSA-N -1 1 416.543 4.004 20 0 HIADMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502421750 911402088 /nfs/dbraw/zinc/40/20/88/911402088.db2.gz SEDFUJZWXDWHHC-MRVPVSSYSA-N -1 1 404.754 4.052 20 0 HIADMM CC(=O)c1c(C)oc2ncnc([N-]c3nc(-c4ccc5c(c4)OCCO5)cs3)c21 ZINC000502743325 911766831 /nfs/dbraw/zinc/76/68/31/911766831.db2.gz DEPFFMWIOHJVAY-UHFFFAOYSA-N -1 1 408.439 4.372 20 0 HIADMM CCC[C@@H]1C[C@@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000502933085 911919323 /nfs/dbraw/zinc/91/93/23/911919323.db2.gz ZJRQSADNBCXLTK-QFBILLFUSA-N -1 1 402.516 4.021 20 0 HIADMM CC[C@@H]1C[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCO1 ZINC000502957074 911939677 /nfs/dbraw/zinc/93/96/77/911939677.db2.gz FAARLFHMAMTGNW-RDTXWAMCSA-N -1 1 422.934 4.285 20 0 HIADMM CCSc1nnc([N-]C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)s1 ZINC000503099039 912068505 /nfs/dbraw/zinc/06/85/05/912068505.db2.gz MUCFOFSFOUTRMG-UHFFFAOYSA-N -1 1 403.533 4.123 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1OCC ZINC000513378318 921753870 /nfs/dbraw/zinc/75/38/70/921753870.db2.gz ORPDWZPQYKLKQK-UHFFFAOYSA-N -1 1 401.431 4.195 20 0 HIADMM COc1ccc(CN(CC2CC2)C(=O)c2ccc(Br)c([O-])c2)c(OC)c1 ZINC000506615742 915269912 /nfs/dbraw/zinc/26/99/12/915269912.db2.gz PYMSMSIJTKMXHA-UHFFFAOYSA-N -1 1 420.303 4.224 20 0 HIADMM Cc1ccc(-c2nsc([N-]C(=O)c3csc(-c4ncccc4F)n3)n2)s1 ZINC000507245607 916007750 /nfs/dbraw/zinc/00/77/50/916007750.db2.gz BUSONVRZCXSSKF-UHFFFAOYSA-N -1 1 403.489 4.485 20 0 HIADMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1csc(-c2ncccc2F)n1 ZINC000507386054 916145169 /nfs/dbraw/zinc/14/51/69/916145169.db2.gz MNHQIXJHYIKIDF-UHFFFAOYSA-N -1 1 415.450 4.178 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccc(F)cc3)c2)cc1 ZINC000507547946 916305172 /nfs/dbraw/zinc/30/51/72/916305172.db2.gz HWFZCSJSJDJXDZ-UHFFFAOYSA-N -1 1 414.458 4.164 20 0 HIADMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc(F)c(C(C)=O)c3)cc2c1C ZINC000507602915 916358609 /nfs/dbraw/zinc/35/86/09/916358609.db2.gz ICPVXZMVQOXWKT-UHFFFAOYSA-N -1 1 419.430 4.060 20 0 HIADMM C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000507849643 916673249 /nfs/dbraw/zinc/67/32/49/916673249.db2.gz SMSXRLLMHPVXST-ZDUSSCGKSA-N -1 1 404.923 4.036 20 0 HIADMM CC[C@H]1C[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCO1 ZINC000508523505 917307469 /nfs/dbraw/zinc/30/74/69/917307469.db2.gz XHESWSVGJSDWRN-PXNSSMCTSA-N -1 1 416.543 4.248 20 0 HIADMM CCC[C@@H]1C[C@H](C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000508611130 917381228 /nfs/dbraw/zinc/38/12/28/917381228.db2.gz ASBRUTXZJCUBDN-NVXWUHKLSA-N -1 1 420.506 4.160 20 0 HIADMM CCC[C@H]1C[C@H](C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000508611135 917381876 /nfs/dbraw/zinc/38/18/76/917381876.db2.gz ASBRUTXZJCUBDN-WBVHZDCISA-N -1 1 420.506 4.160 20 0 HIADMM CN(CCC(F)(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000508742854 917501976 /nfs/dbraw/zinc/50/19/76/917501976.db2.gz HJTOACAPNPVFCU-UHFFFAOYSA-N -1 1 420.840 4.165 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1F ZINC000508821819 917576084 /nfs/dbraw/zinc/57/60/84/917576084.db2.gz KKNNQBNIIIQBCU-MRVPVSSYSA-N -1 1 424.252 4.098 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1F ZINC000508912545 917668721 /nfs/dbraw/zinc/66/87/21/917668721.db2.gz CTYZZFRUINIOFH-MRVPVSSYSA-N -1 1 424.252 4.098 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)cc1C(=O)NC(C)C ZINC000509074750 917819623 /nfs/dbraw/zinc/81/96/23/917819623.db2.gz LNJLBSOVOOJRNO-UHFFFAOYSA-N -1 1 414.449 4.261 20 0 HIADMM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000509091895 917833294 /nfs/dbraw/zinc/83/32/94/917833294.db2.gz CWVMZPGBTGCSNT-CABCVRRESA-N -1 1 420.531 4.125 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)cc1Cl ZINC000509096185 917837629 /nfs/dbraw/zinc/83/76/29/917837629.db2.gz GJYVAJXVGXDLAO-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)c1 ZINC000509102727 917842309 /nfs/dbraw/zinc/84/23/09/917842309.db2.gz JMKBPFJSYDITKZ-UHFFFAOYSA-N -1 1 412.536 4.486 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1 ZINC000509103512 917842492 /nfs/dbraw/zinc/84/24/92/917842492.db2.gz PJEOBXJZUSTLHQ-UHFFFAOYSA-N -1 1 417.449 4.368 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000509179407 917890680 /nfs/dbraw/zinc/89/06/80/917890680.db2.gz BNUWMFKGFJGKLM-UHFFFAOYSA-N -1 1 410.630 4.385 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000509238697 917934040 /nfs/dbraw/zinc/93/40/40/917934040.db2.gz JNUZXXHTJWNRFZ-UHFFFAOYSA-N -1 1 410.477 4.376 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1ccco1)C1CCCC1 ZINC000509251981 917945155 /nfs/dbraw/zinc/94/51/55/917945155.db2.gz WEIIMRBPEGVJKN-UHFFFAOYSA-N -1 1 406.486 4.050 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)C1 ZINC000509368410 918033860 /nfs/dbraw/zinc/03/38/60/918033860.db2.gz GCYAEFTYOIQGMI-INIZCTEOSA-N -1 1 404.507 4.197 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2nc(-c3c(F)cccc3F)cs2)c(=O)[n-]1 ZINC000509391128 918056239 /nfs/dbraw/zinc/05/62/39/918056239.db2.gz XAZWDYQPCGXARQ-UHFFFAOYSA-N -1 1 422.482 4.186 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000509451875 918105822 /nfs/dbraw/zinc/10/58/22/918105822.db2.gz PXZPALLZRQYZOR-INIZCTEOSA-N -1 1 416.481 4.451 20 0 HIADMM CSc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1)OCCO2 ZINC000509578165 918226789 /nfs/dbraw/zinc/22/67/89/918226789.db2.gz PREKLXQTBNHDEJ-UHFFFAOYSA-N -1 1 419.446 4.308 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000509682177 918312704 /nfs/dbraw/zinc/31/27/04/918312704.db2.gz DHENRRPKCCTVOS-UHFFFAOYSA-N -1 1 411.483 4.151 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000509714725 918342462 /nfs/dbraw/zinc/34/24/62/918342462.db2.gz NALFZWXOICCYDA-AXUYNXDZSA-N -1 1 414.509 4.190 20 0 HIADMM CC[C@H](c1ccccc1)N(CC)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509930883 918530528 /nfs/dbraw/zinc/53/05/28/918530528.db2.gz PNXSPVNAABQCAC-OAQYLSRUSA-N -1 1 404.514 4.485 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(F)c3)c2)cc1OC ZINC000511132386 919748585 /nfs/dbraw/zinc/74/85/85/919748585.db2.gz WKPDNQNRTDVDTR-UHFFFAOYSA-N -1 1 417.458 4.223 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000511146400 919765893 /nfs/dbraw/zinc/76/58/93/919765893.db2.gz XNJPIEMKMBJZCM-UHFFFAOYSA-N -1 1 419.499 4.022 20 0 HIADMM O=C(Nc1cc(Cl)ccn1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000511171622 919794766 /nfs/dbraw/zinc/79/47/66/919794766.db2.gz MNWHVMTWPNFHMG-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1OC ZINC000511216514 919827083 /nfs/dbraw/zinc/82/70/83/919827083.db2.gz LUEGZGWQXFGSDJ-UHFFFAOYSA-N -1 1 400.456 4.000 20 0 HIADMM O=C(NCCc1ccsc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000511237628 919841553 /nfs/dbraw/zinc/84/15/53/919841553.db2.gz AIAFJQYYTVLNML-UHFFFAOYSA-N -1 1 420.943 4.175 20 0 HIADMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000511286712 919882331 /nfs/dbraw/zinc/88/23/31/919882331.db2.gz GNAATCPUAPBQFF-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(Cl)c2)c(C)c1C ZINC000511714078 920378795 /nfs/dbraw/zinc/37/87/95/920378795.db2.gz IFCHQWSWMYNHOE-UHFFFAOYSA-N -1 1 408.951 4.385 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000511908481 920648236 /nfs/dbraw/zinc/64/82/36/920648236.db2.gz XVWMCKLIWHXSEE-UHFFFAOYSA-N -1 1 412.902 4.364 20 0 HIADMM CN(Cc1c(F)cccc1F)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000511934632 920685376 /nfs/dbraw/zinc/68/53/76/920685376.db2.gz OGIBJBDQFBBPIJ-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM COc1ccc(C[C@H](C)C(=O)Nc2cc(C)cc(Br)c2[O-])cc1OC ZINC000512015362 920788375 /nfs/dbraw/zinc/78/83/75/920788375.db2.gz CFQDLBUEZYRMAU-LBPRGKRZSA-N -1 1 408.292 4.298 20 0 HIADMM O=C(Cc1ccc(Cl)s1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000513571213 921904833 /nfs/dbraw/zinc/90/48/33/921904833.db2.gz GWUSFVNZXXGJKC-UHFFFAOYSA-N -1 1 420.943 4.061 20 0 HIADMM CCCCN(C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H](CC)c1ccccc1 ZINC000513581395 921913468 /nfs/dbraw/zinc/91/34/68/921913468.db2.gz XHQLMUNFAORVBB-JOCHJYFZSA-N -1 1 418.541 4.463 20 0 HIADMM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1sccc1Br ZINC000513850030 922171791 /nfs/dbraw/zinc/17/17/91/922171791.db2.gz LMKBWFFHNSTMKI-SECBINFHSA-N -1 1 417.375 4.030 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(F)c(F)c3)c2)cc1 ZINC000514532872 922680642 /nfs/dbraw/zinc/68/06/42/922680642.db2.gz JEBSFZFNXKXSIQ-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000514628499 922731603 /nfs/dbraw/zinc/73/16/03/922731603.db2.gz GRJJUTBPCCHPIV-RMLUDKJBSA-N -1 1 420.687 4.042 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)on3)c2)cc1 ZINC000514836573 922820943 /nfs/dbraw/zinc/82/09/43/922820943.db2.gz BIBDEINPXPLBJG-UHFFFAOYSA-N -1 1 413.499 4.379 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c(=O)[n-]1 ZINC000515033365 922887078 /nfs/dbraw/zinc/88/70/78/922887078.db2.gz ZRLXNHDRSDLGGN-UHFFFAOYSA-N -1 1 421.513 4.395 20 0 HIADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000515445008 923104821 /nfs/dbraw/zinc/10/48/21/923104821.db2.gz FOEHXFDYEBUFLP-UHFFFAOYSA-N -1 1 403.729 4.278 20 0 HIADMM COc1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)[nH]c2c1 ZINC000515590867 923202897 /nfs/dbraw/zinc/20/28/97/923202897.db2.gz AXDQRJAIZPCACD-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000515590892 923203654 /nfs/dbraw/zinc/20/36/54/923203654.db2.gz DIFYKAKEQCWLEO-CYBMUJFWSA-N -1 1 424.950 4.376 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1Cl ZINC000515629680 923228893 /nfs/dbraw/zinc/22/88/93/923228893.db2.gz DMWKDMMVCNNAMV-UHFFFAOYSA-N -1 1 402.859 4.258 20 0 HIADMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000515628450 923230315 /nfs/dbraw/zinc/23/03/15/923230315.db2.gz AUQHDRQEZDOAOX-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1OC ZINC000515628907 923230351 /nfs/dbraw/zinc/23/03/51/923230351.db2.gz RMQWZSYBMJXTIU-UHFFFAOYSA-N -1 1 417.483 4.123 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c(=O)[n-]1 ZINC000515853584 923394080 /nfs/dbraw/zinc/39/40/80/923394080.db2.gz ALVGZKOYCSOFGX-IBGZPJMESA-N -1 1 421.513 4.234 20 0 HIADMM O=C([C@H](Sc1ccccc1Cl)c1ccccc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000516032188 923510451 /nfs/dbraw/zinc/51/04/51/923510451.db2.gz IFCGYFJWKDHFGQ-CRAIPNDOSA-N -1 1 413.934 4.093 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000516096139 923539400 /nfs/dbraw/zinc/53/94/00/923539400.db2.gz FOGRYDWCDJCEIQ-GOSISDBHSA-N -1 1 404.800 4.086 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(Cc3ccccn3)C(C)C)cc2)cc1 ZINC000516132715 923564891 /nfs/dbraw/zinc/56/48/91/923564891.db2.gz SZBOTVZQTGMMRG-UHFFFAOYSA-N -1 1 423.538 4.242 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 ZINC000516190986 923590895 /nfs/dbraw/zinc/59/08/95/923590895.db2.gz WWRDEDZPVNKEJN-UHFFFAOYSA-N -1 1 401.875 4.304 20 0 HIADMM CC(C)[C@H](C)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000516331315 923670216 /nfs/dbraw/zinc/67/02/16/923670216.db2.gz NDZKWEWZRKHVQJ-AWEZNQCLSA-N -1 1 422.497 4.415 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2CS(=O)(=O)c2ccccc2)c1 ZINC000517437922 924186284 /nfs/dbraw/zinc/18/62/84/924186284.db2.gz NLHCPSGQKTUOAX-UHFFFAOYSA-N -1 1 415.536 4.078 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000517524970 924245445 /nfs/dbraw/zinc/24/54/45/924245445.db2.gz NFEHLTAROWBCTG-UHFFFAOYSA-N -1 1 421.328 4.338 20 0 HIADMM O=C(CC[C@H]1CCCCO1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000517663675 926771375 /nfs/dbraw/zinc/77/13/75/926771375.db2.gz DSSQYZWAFDPCOP-GOSISDBHSA-N -1 1 422.934 4.429 20 0 HIADMM CCCCN(CCOC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000518336981 927203116 /nfs/dbraw/zinc/20/31/16/927203116.db2.gz UYCDHUSDBAPPFQ-UHFFFAOYSA-N -1 1 424.950 4.030 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3Cc4ccccc4C3)c2)cc1 ZINC000518509343 927317512 /nfs/dbraw/zinc/31/75/12/927317512.db2.gz XTDMVKFIUOUJQB-UHFFFAOYSA-N -1 1 422.506 4.042 20 0 HIADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)c1 ZINC000518793327 927494525 /nfs/dbraw/zinc/49/45/25/927494525.db2.gz HMSIAJRBISVMAJ-UHFFFAOYSA-N -1 1 400.843 4.139 20 0 HIADMM [O-]C(=Cc1cccc(Br)c1)Nc1nc(-c2ccccc2Cl)ns1 ZINC000518895230 927606028 /nfs/dbraw/zinc/60/60/28/927606028.db2.gz LDUSKFJWMRAUAD-UHFFFAOYSA-N -1 1 408.708 4.224 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)cc1Cl ZINC000518915270 927623700 /nfs/dbraw/zinc/62/37/00/927623700.db2.gz IMIIDVRGACPKDS-UHFFFAOYSA-N -1 1 422.934 4.130 20 0 HIADMM Cc1ccc(SCC(F)(F)F)c(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000519030920 927707605 /nfs/dbraw/zinc/70/76/05/927707605.db2.gz WEYRCQRGONAKAW-UHFFFAOYSA-N -1 1 411.448 4.210 20 0 HIADMM Cc1ccncc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000519137814 927801206 /nfs/dbraw/zinc/80/12/06/927801206.db2.gz RDCCUKZMYHNBPP-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C)ccc1F ZINC000519228736 927836637 /nfs/dbraw/zinc/83/66/37/927836637.db2.gz WYBUXMHZACIEQN-GASCZTMLSA-N -1 1 418.534 4.361 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CS(=O)(=O)c2ccccc2)c(C)c1 ZINC000519402615 927926051 /nfs/dbraw/zinc/92/60/51/927926051.db2.gz SQWRNNVMLCGOPH-UHFFFAOYSA-N -1 1 415.536 4.078 20 0 HIADMM Cc1ccc(-n2nc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c3c2CCCC3)cc1 ZINC000519415155 927932896 /nfs/dbraw/zinc/93/28/96/927932896.db2.gz BWULICCIMAKNSC-UHFFFAOYSA-N -1 1 413.481 4.408 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1C ZINC000519491374 927985509 /nfs/dbraw/zinc/98/55/09/927985509.db2.gz PSUOSSYGULWTKB-UHFFFAOYSA-N -1 1 415.437 4.264 20 0 HIADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000519720618 928056372 /nfs/dbraw/zinc/05/63/72/928056372.db2.gz FQOFJPYVWHMFAP-QVDMIQRCSA-N -1 1 404.507 4.181 20 0 HIADMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)cc1 ZINC000519961672 928190678 /nfs/dbraw/zinc/19/06/78/928190678.db2.gz RDNOQSIQSBWCIC-UHFFFAOYSA-N -1 1 410.451 4.033 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC[C@H]2CC=CCC2)c1 ZINC000519991323 928218805 /nfs/dbraw/zinc/21/88/05/928218805.db2.gz CLAOSWNUMUVVIA-INIZCTEOSA-N -1 1 402.491 4.021 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CC)cc2C)cc1 ZINC000519994757 928222339 /nfs/dbraw/zinc/22/23/39/928222339.db2.gz QXBBUMSKNHQQPU-INIZCTEOSA-N -1 1 404.532 4.113 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC3CCCC3)c2)cc1 ZINC000520167974 928358217 /nfs/dbraw/zinc/35/82/17/928358217.db2.gz WZQBMVBFDZTZPS-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CCCCO[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000520483588 928594024 /nfs/dbraw/zinc/59/40/24/928594024.db2.gz AMBJQAWAJJJJCL-KRWDZBQOSA-N -1 1 404.532 4.248 20 0 HIADMM Cc1ccncc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000520546700 928633176 /nfs/dbraw/zinc/63/31/76/928633176.db2.gz UNTMHCRGKQSXAX-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)ccc21 ZINC000520624464 928681427 /nfs/dbraw/zinc/68/14/27/928681427.db2.gz IZJUGDSXICHXHD-UHFFFAOYSA-N -1 1 406.463 4.296 20 0 HIADMM O=S(=O)([N-]CCOc1ccccc1-c1ccccc1)c1ccc(F)c(F)c1F ZINC000520627628 928684008 /nfs/dbraw/zinc/68/40/08/928684008.db2.gz WSFXFDAKQVFFDL-UHFFFAOYSA-N -1 1 407.413 4.128 20 0 HIADMM O=S(=O)([N-][C@@H](c1cccs1)c1ccc(F)cc1)c1cc(F)c(F)cc1F ZINC000520663694 928709216 /nfs/dbraw/zinc/70/92/16/928709216.db2.gz NYHJJJIVTQVNPP-QGZVFWFLSA-N -1 1 401.406 4.372 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)c3ccncc3)c2)cc1Cl ZINC000520768902 928808834 /nfs/dbraw/zinc/80/88/34/928808834.db2.gz SMMNCCWGHZNGHW-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CC[C@H](C)CC3)cc2)cc1 ZINC000520831335 928836194 /nfs/dbraw/zinc/83/61/94/928836194.db2.gz FGMHMDXCVMZMBN-SAABIXHNSA-N -1 1 416.543 4.195 20 0 HIADMM CCOc1cc(-c2noc(-c3cccn(Cc4ccccc4)c3=O)n2)cc(Cl)c1[O-] ZINC000520958373 928889654 /nfs/dbraw/zinc/88/96/54/928889654.db2.gz GKPGWNQTUOJPPB-UHFFFAOYSA-N -1 1 423.856 4.371 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccsc4)no3)cc2)cc1 ZINC000521022588 928939397 /nfs/dbraw/zinc/93/93/97/928939397.db2.gz CSVUEVHBWYYFSX-UHFFFAOYSA-N -1 1 413.480 4.275 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](C)CC3)c2)cc1 ZINC000521099325 928994142 /nfs/dbraw/zinc/99/41/42/928994142.db2.gz CYYIRRFNCKWBGR-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC ZINC000521130883 929013577 /nfs/dbraw/zinc/01/35/77/929013577.db2.gz UWJQKBLCXXAWON-UHFFFAOYSA-N -1 1 424.519 4.096 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC[C@@H]3CCCCO3)ccc2C)c1 ZINC000521143672 929021753 /nfs/dbraw/zinc/02/17/53/929021753.db2.gz OBUIBBJIJLOZTC-FQEVSTJZSA-N -1 1 416.543 4.392 20 0 HIADMM Cc1ccc2c(c1)N(C(=O)c1ccc([N-]S(=O)(=O)c3ccccc3)cc1)CCC2 ZINC000521162611 929035018 /nfs/dbraw/zinc/03/50/18/929035018.db2.gz WNUNGMJMOHBNNY-UHFFFAOYSA-N -1 1 406.507 4.389 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000521331846 929147529 /nfs/dbraw/zinc/14/75/29/929147529.db2.gz PVKUHIGPWDNVDE-DEOSSOPVSA-N -1 1 406.530 4.060 20 0 HIADMM O=S(=O)([N-]c1cccc(OC[C@@H]2CCCO2)c1)c1cc(Cl)cc(Cl)c1 ZINC000521337187 929151110 /nfs/dbraw/zinc/15/11/10/929151110.db2.gz RMMHCRMWLJPXIQ-INIZCTEOSA-N -1 1 402.299 4.352 20 0 HIADMM Cc1ccncc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000521513548 929267812 /nfs/dbraw/zinc/26/78/12/929267812.db2.gz BRPIAQSCSMAHQI-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3cccnc3)c2)c1 ZINC000521564384 929300046 /nfs/dbraw/zinc/30/00/46/929300046.db2.gz GOBAFIACSIFSLQ-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM CC(=O)c1csc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000521617473 929330797 /nfs/dbraw/zinc/33/07/97/929330797.db2.gz XCRWDZSRDRVMKT-UHFFFAOYSA-N -1 1 418.471 4.143 20 0 HIADMM COc1cnc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c(Br)c1 ZINC000521937990 929576483 /nfs/dbraw/zinc/57/64/83/929576483.db2.gz GTSSOHBTTFFZJP-UHFFFAOYSA-N -1 1 419.728 4.430 20 0 HIADMM Cc1ccc(SCc2cccc(C(=O)NC3(c4nn[n-]n4)CCCC3)c2)c(C)c1 ZINC000524575590 929696451 /nfs/dbraw/zinc/69/64/51/929696451.db2.gz DOGIGGVBTQBQQA-UHFFFAOYSA-N -1 1 407.543 4.308 20 0 HIADMM NC(=O)c1cccc(Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)c1 ZINC000524623358 929730999 /nfs/dbraw/zinc/73/09/99/929730999.db2.gz QXSZNAJWLNBTAR-UHFFFAOYSA-N -1 1 402.859 4.032 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)c(C)s1 ZINC000524624344 929731918 /nfs/dbraw/zinc/73/19/18/929731918.db2.gz XGBRAIILYYQFBQ-UHFFFAOYSA-N -1 1 402.497 4.057 20 0 HIADMM CC[C@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000524847835 929856381 /nfs/dbraw/zinc/85/63/81/929856381.db2.gz MKFVSUKKNWWXSC-HNAYVOBHSA-N -1 1 404.507 4.325 20 0 HIADMM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1Cl)c1sccc1Br ZINC000524870474 929866530 /nfs/dbraw/zinc/86/65/30/929866530.db2.gz HNYIKLGAXWZHAO-CPCISQLKSA-N -1 1 410.717 4.138 20 0 HIADMM COc1cc(NC(=O)N[C@@H](CC(C)C)c2ccccc2C)ccc1[N-]S(C)(=O)=O ZINC000524896415 929877336 /nfs/dbraw/zinc/87/73/36/929877336.db2.gz VIULNBFUJGGDAP-IBGZPJMESA-N -1 1 419.547 4.284 20 0 HIADMM COc1cc(NC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000524896278 929877548 /nfs/dbraw/zinc/87/75/48/929877548.db2.gz OLSRNEBEAAEHFX-SFHVURJKSA-N -1 1 419.547 4.366 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1Br ZINC000525012343 929973060 /nfs/dbraw/zinc/97/30/60/929973060.db2.gz BGFYPEVTYHNVML-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)cc1C ZINC000525018860 929978324 /nfs/dbraw/zinc/97/83/24/929978324.db2.gz VDXLDIJVOXUFDU-UHFFFAOYSA-N -1 1 417.512 4.091 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2ncccc2c1 ZINC000525018908 929979005 /nfs/dbraw/zinc/97/90/05/929979005.db2.gz INLDBMGSUWOUJD-UHFFFAOYSA-N -1 1 419.510 4.021 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000525061276 930010504 /nfs/dbraw/zinc/01/05/04/930010504.db2.gz BPXVTLLYEWGROK-UHFFFAOYSA-N -1 1 412.921 4.124 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000525067746 930014124 /nfs/dbraw/zinc/01/41/24/930014124.db2.gz QQKZKLSSRAFTDI-UHFFFAOYSA-N -1 1 400.481 4.004 20 0 HIADMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccncc1 ZINC000525071647 930017609 /nfs/dbraw/zinc/01/76/09/930017609.db2.gz FNVNJMMZHDPLOL-OAQYLSRUSA-N -1 1 423.538 4.380 20 0 HIADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000525104389 930038929 /nfs/dbraw/zinc/03/89/29/930038929.db2.gz ZMRYXPQZLSULGI-CABCVRRESA-N -1 1 422.497 4.416 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C)cc2)cc1C ZINC000525107681 930040240 /nfs/dbraw/zinc/04/02/40/930040240.db2.gz ZCOSWQYFVGFRQD-WMZOPIPTSA-N -1 1 400.544 4.365 20 0 HIADMM CC(C)(C)CCCNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000525320264 930158328 /nfs/dbraw/zinc/15/83/28/930158328.db2.gz KFRLABWYYPTFSY-UHFFFAOYSA-N -1 1 403.548 4.113 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1OCC1CCOCC1 ZINC000525480235 930269584 /nfs/dbraw/zinc/26/95/84/930269584.db2.gz MFZGJRYIYOQULH-UHFFFAOYSA-N -1 1 415.555 4.480 20 0 HIADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(-c2nnc3n2CCCCC3)c(F)cc1F ZINC000525531190 930305535 /nfs/dbraw/zinc/30/55/35/930305535.db2.gz NRGNUYRPENUTRC-UHFFFAOYSA-N -1 1 424.498 4.120 20 0 HIADMM CCC[C@H](CCc1ccccc1)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000525571769 930337830 /nfs/dbraw/zinc/33/78/30/930337830.db2.gz ARRHCLNISMTIQJ-HXUWFJFHSA-N -1 1 404.514 4.013 20 0 HIADMM CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c(C)noc1C ZINC000525583792 930345734 /nfs/dbraw/zinc/34/57/34/930345734.db2.gz UKCNALMSHKZHDK-IBGZPJMESA-N -1 1 413.499 4.225 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C[C@@H](C)S1 ZINC000525773176 930439666 /nfs/dbraw/zinc/43/96/66/930439666.db2.gz PVNQZNSNAPCJRH-ZIAGYGMSSA-N -1 1 424.975 4.107 20 0 HIADMM Cn1ccc2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc21 ZINC000526950673 930555768 /nfs/dbraw/zinc/55/57/68/930555768.db2.gz YFLRRCUCIJXPJK-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000530614709 930773037 /nfs/dbraw/zinc/77/30/37/930773037.db2.gz GWPJISQXTZZRAP-HNNXBMFYSA-N -1 1 420.513 4.253 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(CSC)c2)ccc1Br ZINC000530628869 930778585 /nfs/dbraw/zinc/77/85/85/930778585.db2.gz USVUGYKIKYRUTH-UHFFFAOYSA-N -1 1 402.335 4.122 20 0 HIADMM O=S(=O)([N-]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc2ccccc2o1 ZINC000530770675 930820181 /nfs/dbraw/zinc/82/01/81/930820181.db2.gz VURSKVWFUHBWMY-UHFFFAOYSA-N -1 1 421.400 4.116 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000530884855 930849462 /nfs/dbraw/zinc/84/94/62/930849462.db2.gz SBOSIMJCBNKWNE-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc2ccccn2c1 ZINC000531049654 930898332 /nfs/dbraw/zinc/89/83/32/930898332.db2.gz AIWKCHACGQICGO-UHFFFAOYSA-N -1 1 409.442 4.132 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])[C@H]1CC=CCC1 ZINC000531112882 930924770 /nfs/dbraw/zinc/92/47/70/930924770.db2.gz MSBPIYVECLQWGL-ZDUSSCGKSA-N -1 1 406.891 4.141 20 0 HIADMM CCc1cccc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1O ZINC000531431881 931054594 /nfs/dbraw/zinc/05/45/94/931054594.db2.gz SJHRGBQDJPTNOJ-UHFFFAOYSA-N -1 1 424.522 4.028 20 0 HIADMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)cc2s1 ZINC000531521999 931090148 /nfs/dbraw/zinc/09/01/48/931090148.db2.gz WVQTVCNLNBZEAZ-UHFFFAOYSA-N -1 1 415.540 4.450 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(CC(F)F)C(C)C)ccc2C)cc1 ZINC000532863849 931670576 /nfs/dbraw/zinc/67/05/76/931670576.db2.gz QDCXMBOLRPSCGX-UHFFFAOYSA-N -1 1 410.486 4.220 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(Br)c3C)c2C)o1 ZINC000533229067 931814887 /nfs/dbraw/zinc/81/48/87/931814887.db2.gz DKJCFNXWBXBWSM-UHFFFAOYSA-N -1 1 410.293 4.158 20 0 HIADMM CN(Cc1nc2ccccc2n1C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000533277144 931826129 /nfs/dbraw/zinc/82/61/29/931826129.db2.gz VOYSPGBPFJJIDE-UHFFFAOYSA-N -1 1 420.538 4.006 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1Br)c1cccs1 ZINC000533784434 932031931 /nfs/dbraw/zinc/03/19/31/932031931.db2.gz KQLKYZADKQIGGQ-UHFFFAOYSA-N -1 1 402.213 4.210 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2c1CN(c1nccs1)C2 ZINC000533895386 932086884 /nfs/dbraw/zinc/08/68/84/932086884.db2.gz HPWZXVAJLOAFSO-UHFFFAOYSA-N -1 1 405.932 4.426 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)Nc3c(F)ccc(C)c3C(=O)[O-])s2)cs1 ZINC000534143880 932301168 /nfs/dbraw/zinc/30/11/68/932301168.db2.gz HKMPIQOZXXFDTC-UHFFFAOYSA-N -1 1 412.489 4.127 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCC(F)(F)CC3)c2)c1 ZINC000534206086 932330729 /nfs/dbraw/zinc/33/07/29/932330729.db2.gz MCDDSLJBFPCZRB-UHFFFAOYSA-N -1 1 422.497 4.412 20 0 HIADMM CN1CC[C@H](CNC(=O)CC2(C(=O)[O-])CCCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534241526 932360252 /nfs/dbraw/zinc/36/02/52/932360252.db2.gz BOSMDSYCFQNXLS-UZLBHIALSA-N -1 1 424.944 4.403 20 0 HIADMM Cc1cccc2c1N(C(=O)c1cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c1)CC2 ZINC000534257936 932369704 /nfs/dbraw/zinc/36/97/04/932369704.db2.gz ZRHLUWLMBJZONR-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM CCc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000534428031 932444250 /nfs/dbraw/zinc/44/42/50/932444250.db2.gz WBJXLGTXRCFTQH-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)cc1C ZINC000534499029 932533584 /nfs/dbraw/zinc/53/35/84/932533584.db2.gz VFKFYEJXMKACFC-UHFFFAOYSA-N -1 1 409.511 4.110 20 0 HIADMM CC(C)(C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1CCCC1 ZINC000534564120 932567088 /nfs/dbraw/zinc/56/70/88/932567088.db2.gz CVMNSNXDHZAVQP-UHFFFAOYSA-N -1 1 400.544 4.320 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1cc(Br)ccc1F ZINC000534672504 932643947 /nfs/dbraw/zinc/64/39/47/932643947.db2.gz BBOCSKMBDYQGBZ-UHFFFAOYSA-N -1 1 420.210 4.203 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1-c1ccccc1 ZINC000534681875 932651628 /nfs/dbraw/zinc/65/16/28/932651628.db2.gz UNLKVOAKFJQHPT-UHFFFAOYSA-N -1 1 412.515 4.171 20 0 HIADMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1Cl ZINC000534944154 932850391 /nfs/dbraw/zinc/85/03/91/932850391.db2.gz WIYBIEUFOXCVAB-UHFFFAOYSA-N -1 1 412.678 4.444 20 0 HIADMM CC1(C)CCC[C@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000535214352 933020329 /nfs/dbraw/zinc/02/03/29/933020329.db2.gz DSUHKQXATDBMCE-KRWDZBQOSA-N -1 1 400.544 4.320 20 0 HIADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cc(F)c(Br)cc1F ZINC000535232581 933029992 /nfs/dbraw/zinc/02/99/92/933029992.db2.gz GFVJVUFCDPRULF-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000535387993 933108490 /nfs/dbraw/zinc/10/84/90/933108490.db2.gz XBLYWSGFKAVSBB-UHFFFAOYSA-N -1 1 416.247 4.372 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(-c4ncco4)ccc3C)cc2F)c1 ZINC000535401445 933117562 /nfs/dbraw/zinc/11/75/62/933117562.db2.gz GPVFTFLTBQDXND-UHFFFAOYSA-N -1 1 412.446 4.084 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc([C@H]2CCOC2)c1 ZINC000535590002 933257742 /nfs/dbraw/zinc/25/77/42/933257742.db2.gz XEBZEIXOYLAORX-IBGZPJMESA-N -1 1 422.506 4.244 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4nc(-c5ccccn5)oc4c3)ccc2O1 ZINC000537395408 933756333 /nfs/dbraw/zinc/75/63/33/933756333.db2.gz ZCKAIAGMSSNAGY-ZDUSSCGKSA-N -1 1 407.451 4.014 20 0 HIADMM O=S(=O)(Cc1csc(C2CCCCC2)n1)c1nnc(-c2ccccc2F)[n-]1 ZINC000562600452 945105674 /nfs/dbraw/zinc/10/56/74/945105674.db2.gz QRDXYPMNKPVZDS-UHFFFAOYSA-N -1 1 406.508 4.089 20 0 HIADMM O=S(=O)(Cc1csc(C2CCCCC2)n1)c1n[n-]c(-c2ccccc2F)n1 ZINC000562600452 945105681 /nfs/dbraw/zinc/10/56/81/945105681.db2.gz QRDXYPMNKPVZDS-UHFFFAOYSA-N -1 1 406.508 4.089 20 0 HIADMM Cc1nc(C[N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)oc1-c1ccc(Cl)cc1 ZINC000562842741 945124869 /nfs/dbraw/zinc/12/48/69/945124869.db2.gz VYGSECPHWPRPTE-UHFFFAOYSA-N -1 1 423.922 4.209 20 0 HIADMM Cc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])cnn1-c1ccc(F)cc1F ZINC000537597535 938331133 /nfs/dbraw/zinc/33/11/33/938331133.db2.gz VXFKRECEPPKSND-UHFFFAOYSA-N -1 1 422.229 4.488 20 0 HIADMM CN1CCc2ccc(S(=O)(=O)[N-]c3ccc(SCc4cccnc4)cc3)cc21 ZINC000537746578 938368319 /nfs/dbraw/zinc/36/83/19/938368319.db2.gz IIHNGULJJHZDCP-UHFFFAOYSA-N -1 1 411.552 4.167 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccc(Cl)cc3)s2)o1 ZINC000537790381 938376713 /nfs/dbraw/zinc/37/67/13/938376713.db2.gz DHSHOSVKBKQZFS-NSHDSACASA-N -1 1 424.931 4.061 20 0 HIADMM Cc1cccc(O)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000537850048 938389924 /nfs/dbraw/zinc/38/99/24/938389924.db2.gz LIGIMVFUPKKZDJ-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3[C@H](CC)CC[C@@H]3C)cc2)cc1 ZINC000537916238 938411723 /nfs/dbraw/zinc/41/17/23/938411723.db2.gz GRADTXGBUPLRKZ-QFBILLFUSA-N -1 1 416.543 4.289 20 0 HIADMM O=C(Nc1ccccc1F)Nc1cccc2c1CCCN2C(=O)c1cncc([O-])c1 ZINC000563318995 945178095 /nfs/dbraw/zinc/17/80/95/945178095.db2.gz VJPGLNLNCUWVEU-UHFFFAOYSA-N -1 1 406.417 4.163 20 0 HIADMM CC(C)c1csc2nc(-c3ccc(I)c([O-])c3)[nH]c(=O)c21 ZINC000538430477 938618441 /nfs/dbraw/zinc/61/84/41/938618441.db2.gz GPICWUOESUJKPJ-UHFFFAOYSA-N -1 1 412.252 4.498 20 0 HIADMM Cc1ccc(NC(=O)c2ccc3nsnc3c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000538856826 938725889 /nfs/dbraw/zinc/72/58/89/938725889.db2.gz UYEYPYKJYQUBJT-UHFFFAOYSA-N -1 1 424.507 4.053 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)cc1 ZINC000539114651 938804906 /nfs/dbraw/zinc/80/49/06/938804906.db2.gz LXCVQXHFHUIXQC-UHFFFAOYSA-N -1 1 410.495 4.415 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCC(=O)c1csc2ccccc12 ZINC000539153748 938812349 /nfs/dbraw/zinc/81/23/49/938812349.db2.gz IPSQNMWKUAHQFW-UHFFFAOYSA-N -1 1 420.487 4.014 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000539154838 938812870 /nfs/dbraw/zinc/81/28/70/938812870.db2.gz XASFEHYREDODDJ-UHFFFAOYSA-N -1 1 419.305 4.465 20 0 HIADMM O=C(c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539325071 938841610 /nfs/dbraw/zinc/84/16/10/938841610.db2.gz CVRDBFPPIYZQBT-GFCCVEGCSA-N -1 1 420.275 4.332 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(OC4CCCC4)c3)cc2)CC1 ZINC000539547239 938878015 /nfs/dbraw/zinc/87/80/15/938878015.db2.gz BIMFEXFMIDIUQL-UHFFFAOYSA-N -1 1 415.511 4.013 20 0 HIADMM CC(=O)c1cc(F)c([N-]C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)c(F)c1 ZINC000539651914 938894112 /nfs/dbraw/zinc/89/41/12/938894112.db2.gz YSSSCKBSRNYWMA-UHFFFAOYSA-N -1 1 402.378 4.272 20 0 HIADMM O=S(=O)([N-]CCCc1cccs1)c1c(Cl)cc(F)cc1Br ZINC000539857717 938959300 /nfs/dbraw/zinc/95/93/00/938959300.db2.gz BOZAVKUZKHEDGF-UHFFFAOYSA-N -1 1 412.733 4.214 20 0 HIADMM COc1ccc([C@@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C(=O)[O-])cc1Cl ZINC000684749163 939051428 /nfs/dbraw/zinc/05/14/28/939051428.db2.gz JVPSZDJVFFHOOU-CQSZACIVSA-N -1 1 424.791 4.110 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000540234474 939155780 /nfs/dbraw/zinc/15/57/80/939155780.db2.gz KOJJSXKETMRRJJ-IBGZPJMESA-N -1 1 420.600 4.318 20 0 HIADMM CC[C@H](CSC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000540461559 939261847 /nfs/dbraw/zinc/26/18/47/939261847.db2.gz UHWUKWDNTAGNLK-OAHLLOKOSA-N -1 1 412.964 4.012 20 0 HIADMM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCC1 ZINC000540482474 939269754 /nfs/dbraw/zinc/26/97/54/939269754.db2.gz JNNRINJYLXXNFG-SNVBAGLBSA-N -1 1 400.755 4.114 20 0 HIADMM CC[C@H](C)n1nc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000540553859 939302609 /nfs/dbraw/zinc/30/26/09/939302609.db2.gz ORXDWXCNIWNULW-HNNXBMFYSA-N -1 1 412.515 4.216 20 0 HIADMM COc1ccc(-c2nsc([N-]C(=O)c3nccnc3Sc3ccccc3)n2)cc1 ZINC000541287748 939489461 /nfs/dbraw/zinc/48/94/61/939489461.db2.gz YKZHTWXUHTUHBR-UHFFFAOYSA-N -1 1 421.507 4.407 20 0 HIADMM Cc1ccc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c(Sc2ccccc2)c1 ZINC000541422797 939511823 /nfs/dbraw/zinc/51/18/23/939511823.db2.gz HGVQSLWFOOVWQX-UHFFFAOYSA-N -1 1 418.522 4.441 20 0 HIADMM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cc(Br)sc2Cl)n1 ZINC000541831624 939644639 /nfs/dbraw/zinc/64/46/39/939644639.db2.gz OSIXJSZJABGSEX-LURJTMIESA-N -1 1 415.787 4.011 20 0 HIADMM C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000542753723 939859093 /nfs/dbraw/zinc/85/90/93/939859093.db2.gz ZLNAMZUMFKSZTH-AOIWGVFYSA-N -1 1 415.559 4.111 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000542984865 939891560 /nfs/dbraw/zinc/89/15/60/939891560.db2.gz UGAOPQMKMLPPPL-UHFFFAOYSA-N -1 1 405.444 4.011 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@H]2CCCC[C@@H]12 ZINC000542988837 939892086 /nfs/dbraw/zinc/89/20/86/939892086.db2.gz JJOIRWWHQDAVTE-NQERJWCQSA-N -1 1 416.518 4.277 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)cc1 ZINC000543020765 939896797 /nfs/dbraw/zinc/89/67/97/939896797.db2.gz DEFHGIKIHGYVHW-UHFFFAOYSA-N -1 1 422.522 4.206 20 0 HIADMM CN(C[C@@H]1CC=CCC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000543355394 940040270 /nfs/dbraw/zinc/04/02/70/940040270.db2.gz HFVYCLJMHJXMEP-MRXNPFEDSA-N -1 1 402.491 4.055 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CC2CCC2)c2ccccc2)c1 ZINC000543582756 940118810 /nfs/dbraw/zinc/11/88/10/940118810.db2.gz AABJFOLUDXNISY-UHFFFAOYSA-N -1 1 405.454 4.388 20 0 HIADMM CO[C@@](C)(c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)n1)C1CC1 ZINC000563784281 945301222 /nfs/dbraw/zinc/30/12/22/945301222.db2.gz BWGNJIMLPBIHHQ-OAQYLSRUSA-N -1 1 413.499 4.117 20 0 HIADMM CCc1nc2cc(S(=O)(=O)[N-]c3cccc4c3CN(c3ccccn3)C4)ccc2o1 ZINC000543858485 940213082 /nfs/dbraw/zinc/21/30/82/940213082.db2.gz SOJZHCUWEOBZNA-UHFFFAOYSA-N -1 1 420.494 4.106 20 0 HIADMM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1F ZINC000543911754 940240528 /nfs/dbraw/zinc/24/05/28/940240528.db2.gz FJWHHGAZSGWHCM-UHFFFAOYSA-N -1 1 424.469 4.218 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)c(C)c1F ZINC000543951178 940265740 /nfs/dbraw/zinc/26/57/40/940265740.db2.gz AIBFNSIYLAWXER-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccs2)c(C)c1F ZINC000543950873 940266538 /nfs/dbraw/zinc/26/65/38/940266538.db2.gz GGMAEGLKYDRFGF-UHFFFAOYSA-N -1 1 420.487 4.257 20 0 HIADMM O=S(=O)([N-]c1ccc(CN2CCOCC2)c(Cl)c1)c1ccc2ccccc2c1 ZINC000544080134 940319967 /nfs/dbraw/zinc/31/99/67/940319967.db2.gz KJIJVTXVKSIBOK-UHFFFAOYSA-N -1 1 416.930 4.126 20 0 HIADMM O=c1cc(C(F)(F)F)nc(SCc2nc3cc(Br)ccc3[nH]2)[n-]1 ZINC000544618401 940491522 /nfs/dbraw/zinc/49/15/22/940491522.db2.gz PDIDNOASVWNECN-UHFFFAOYSA-N -1 1 405.199 4.132 20 0 HIADMM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cc(F)c(Br)cc1F ZINC000544807053 940516289 /nfs/dbraw/zinc/51/62/89/940516289.db2.gz UMYYTFSXYQATJG-UHFFFAOYSA-N -1 1 418.046 4.230 20 0 HIADMM O=C(N[C@H](c1ccco1)c1ccccc1)c1ccc(I)c([O-])c1 ZINC000544863575 940520173 /nfs/dbraw/zinc/52/01/73/940520173.db2.gz PICWRRSDEAGBLN-KRWDZBQOSA-N -1 1 419.218 4.109 20 0 HIADMM CC(C)(C)C[C@H](NC(=O)c1ccc(I)c([O-])c1)C(F)(F)F ZINC000544888960 940521910 /nfs/dbraw/zinc/52/19/10/940521910.db2.gz ZPFWTGIMSMXTFT-NSHDSACASA-N -1 1 415.193 4.094 20 0 HIADMM CCSCc1noc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000544963942 940529115 /nfs/dbraw/zinc/52/91/15/940529115.db2.gz IMQXEPPADJNVKZ-UHFFFAOYSA-N -1 1 403.529 4.407 20 0 HIADMM Cc1cc(Cc2noc(-c3cccc([N-]S(=O)(=O)c4cc(C)ccc4C)c3)n2)no1 ZINC000544985346 940530954 /nfs/dbraw/zinc/53/09/54/940530954.db2.gz SJFMVNKMRYLCJR-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(COC4CCCC4)no3)c2)c1 ZINC000545062947 940538308 /nfs/dbraw/zinc/53/83/08/940538308.db2.gz JSHOFNIEXYZPTO-UHFFFAOYSA-N -1 1 413.499 4.305 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc(CCC2CC2)no1 ZINC000545115355 940544269 /nfs/dbraw/zinc/54/42/69/940544269.db2.gz HOOHDKSJILVCKR-UHFFFAOYSA-N -1 1 401.463 4.328 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3Cc4ccccc4C3)cc2)cc1C ZINC000545133783 940547340 /nfs/dbraw/zinc/54/73/40/940547340.db2.gz CKTCVMNEWJQXFF-UHFFFAOYSA-N -1 1 420.534 4.001 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)c3cnccc3C)c2)c1 ZINC000545243042 940558177 /nfs/dbraw/zinc/55/81/77/940558177.db2.gz YCNFPUIPCJREJR-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM O=S(=O)([N-]c1ccccc1N1CCCCCC1)c1ccccc1Cn1ccnc1 ZINC000545438668 940569948 /nfs/dbraw/zinc/56/99/48/940569948.db2.gz GCFIFLCYTMFXFR-UHFFFAOYSA-N -1 1 410.543 4.113 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCCc2ccccc2C1 ZINC000545513189 940572541 /nfs/dbraw/zinc/57/25/41/940572541.db2.gz LZTLZEDBTPOYIN-UHFFFAOYSA-N -1 1 421.522 4.468 20 0 HIADMM C[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C[C@H](C)C1 ZINC000545514040 940572617 /nfs/dbraw/zinc/57/26/17/940572617.db2.gz MUXALAJDTOFWRX-DLBZAZTESA-N -1 1 401.532 4.387 20 0 HIADMM O=C(NCc1ccc(F)cc1F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545513878 940572636 /nfs/dbraw/zinc/57/26/36/940572636.db2.gz CFTHYRLZLSKYAY-UHFFFAOYSA-N -1 1 417.437 4.087 20 0 HIADMM Cc1cccnc1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)n1 ZINC000545604299 940576910 /nfs/dbraw/zinc/57/69/10/940576910.db2.gz CKFLKNQQDBQGFN-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CSCc1ccc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)cc1 ZINC000545649337 940578851 /nfs/dbraw/zinc/57/88/51/940578851.db2.gz ROSARSAIRZCZHJ-UHFFFAOYSA-N -1 1 405.483 4.056 20 0 HIADMM COCCCCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000545680976 940580371 /nfs/dbraw/zinc/58/03/71/940580371.db2.gz HNBJMQQJYAMRJZ-UHFFFAOYSA-N -1 1 421.906 4.160 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nc(COC3CCCC3)no2)cc1 ZINC000545767467 940584745 /nfs/dbraw/zinc/58/47/45/940584745.db2.gz BEWOKMJNZMTFFD-UHFFFAOYSA-N -1 1 417.462 4.136 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(COCC4CC4)no3)c2)c1 ZINC000545769900 940584825 /nfs/dbraw/zinc/58/48/25/940584825.db2.gz RXNOZMZMXVLCOJ-UHFFFAOYSA-N -1 1 413.499 4.081 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@@H]3CCCO3)no2)cc1)c1ccc(F)c(Cl)c1 ZINC000545775050 940584989 /nfs/dbraw/zinc/58/49/89/940584989.db2.gz QFKHIFJJKUBUIL-INIZCTEOSA-N -1 1 423.853 4.181 20 0 HIADMM CSc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)c(Cl)c1 ZINC000545802480 940602499 /nfs/dbraw/zinc/60/24/99/940602499.db2.gz DRSNJRCTZVMHLZ-SECBINFHSA-N -1 1 415.949 4.213 20 0 HIADMM CCOc1cc(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)cc(Cl)c1[O-] ZINC000545857838 940639898 /nfs/dbraw/zinc/63/98/98/940639898.db2.gz URWGAMALZAMOBD-AWEZNQCLSA-N -1 1 424.875 4.117 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCCCC[C@@H]1c1ccco1 ZINC000546201250 940728291 /nfs/dbraw/zinc/72/82/91/940728291.db2.gz YYQQBGZOFJXQAW-CQSZACIVSA-N -1 1 411.239 4.347 20 0 HIADMM CC(C)(C)c1cnc(NC(=O)c2ccc(I)c([O-])c2)s1 ZINC000546205228 940729628 /nfs/dbraw/zinc/72/96/28/940729628.db2.gz TUPDRXPWMDNWEL-UHFFFAOYSA-N -1 1 402.257 4.003 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000546237968 940740137 /nfs/dbraw/zinc/74/01/37/940740137.db2.gz ZXXYVKFFHDNEKJ-SECBINFHSA-N -1 1 418.327 4.068 20 0 HIADMM O=c1cc(C(F)F)nc(S[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)[n-]1 ZINC000564007072 945346733 /nfs/dbraw/zinc/34/67/33/945346733.db2.gz XWLKEFHHUZJIGC-GFCCVEGCSA-N -1 1 417.384 4.009 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(CCC(F)(F)F)no3)cc2)cc1 ZINC000546287131 940765275 /nfs/dbraw/zinc/76/52/75/940765275.db2.gz IOKLLYHFLKPOOC-UHFFFAOYSA-N -1 1 411.405 4.341 20 0 HIADMM COCc1cccc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)c1 ZINC000546341635 940794435 /nfs/dbraw/zinc/79/44/35/940794435.db2.gz UAWXIDHZUXUUBO-UHFFFAOYSA-N -1 1 421.478 4.351 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3n[nH]c4ccccc43)no2)cc1)c1ccccc1 ZINC000546418307 940815534 /nfs/dbraw/zinc/81/55/34/940815534.db2.gz RUTMISPKTODWGE-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H]2CCC[C@H]21 ZINC000564018272 945351394 /nfs/dbraw/zinc/35/13/94/945351394.db2.gz GCEDAXDSJMQVKR-WOJBJXKFSA-N -1 1 416.518 4.277 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@H](C)c4ccncc4)no3)cc2)cc1 ZINC000546509463 940839596 /nfs/dbraw/zinc/83/95/96/940839596.db2.gz AIGMPCCYOWISME-MRXNPFEDSA-N -1 1 420.494 4.393 20 0 HIADMM CCOc1cc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc(Cl)c1[O-] ZINC000546554952 940851488 /nfs/dbraw/zinc/85/14/88/940851488.db2.gz AARFTWWPSFGQPA-UHFFFAOYSA-N -1 1 405.863 4.224 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc(Cl)c1[O-] ZINC000546584583 940858217 /nfs/dbraw/zinc/85/82/17/940858217.db2.gz SDJXBHLMLTWJIF-MRXNPFEDSA-N -1 1 403.862 4.193 20 0 HIADMM CCc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c(C)nn1 ZINC000546784851 940882396 /nfs/dbraw/zinc/88/23/96/940882396.db2.gz HXYNTUHONHJBCE-UHFFFAOYSA-N -1 1 424.526 4.017 20 0 HIADMM CCOc1ccc(N(CC)C(=O)c2ccc(I)c([O-])c2)cc1 ZINC000546865901 940897935 /nfs/dbraw/zinc/89/79/35/940897935.db2.gz KNVRYLGGTUVSIU-UHFFFAOYSA-N -1 1 411.239 4.062 20 0 HIADMM CCCOc1cc(C)ccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000546894875 940904700 /nfs/dbraw/zinc/90/47/00/940904700.db2.gz PJDBUQMXRGPFRW-UHFFFAOYSA-N -1 1 411.239 4.346 20 0 HIADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(I)c([O-])c1 ZINC000546900520 940906642 /nfs/dbraw/zinc/90/66/42/940906642.db2.gz PMALAUJCEJEZSF-IUODEOHRSA-N -1 1 407.251 4.015 20 0 HIADMM CN(Cc1cccs1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546929684 940917092 /nfs/dbraw/zinc/91/70/92/940917092.db2.gz XNLDOBIUUIJHST-UHFFFAOYSA-N -1 1 401.513 4.213 20 0 HIADMM Cc1cncc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)c1 ZINC000547019808 940959826 /nfs/dbraw/zinc/95/98/26/940959826.db2.gz KTIBRZRJJMPIEM-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM COCCCCc1noc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000547092355 940992252 /nfs/dbraw/zinc/99/22/52/940992252.db2.gz XBFIJEPPYHIBRZ-UHFFFAOYSA-N -1 1 415.515 4.123 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000547261849 941046484 /nfs/dbraw/zinc/04/64/84/941046484.db2.gz IEOVKLKIPVVYMK-SJLPKXTDSA-N -1 1 409.313 4.273 20 0 HIADMM N#Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000547647147 941070289 /nfs/dbraw/zinc/07/02/89/941070289.db2.gz SANRNADBGINRSR-UHFFFAOYSA-N -1 1 411.870 4.265 20 0 HIADMM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000547779001 941075585 /nfs/dbraw/zinc/07/55/85/941075585.db2.gz OKERAJTVEKXFJP-UHFFFAOYSA-N -1 1 411.614 4.041 20 0 HIADMM COc1cc(C)ccc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000548033407 941083621 /nfs/dbraw/zinc/08/36/21/941083621.db2.gz UKPKJMGLZKGQPB-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)Nc1cccc2cc[nH]c21 ZINC000548179831 941091091 /nfs/dbraw/zinc/09/10/91/941091091.db2.gz REVKXSLLWXZBQG-UHFFFAOYSA-N -1 1 420.494 4.290 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC(C)=O)cc1 ZINC000548608859 941114401 /nfs/dbraw/zinc/11/44/01/941114401.db2.gz XWUAISCZYWWQKD-UHFFFAOYSA-N -1 1 416.421 4.253 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000548775008 941123413 /nfs/dbraw/zinc/12/34/13/941123413.db2.gz VMEKMDNIMZAXEA-UHFFFAOYSA-N -1 1 412.799 4.295 20 0 HIADMM CCc1oc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)cc1C(=O)OC ZINC000548972205 941136530 /nfs/dbraw/zinc/13/65/30/941136530.db2.gz JZVUMAZMFQYGJJ-UHFFFAOYSA-N -1 1 403.485 4.121 20 0 HIADMM CC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cs1 ZINC000549140907 941164924 /nfs/dbraw/zinc/16/49/24/941164924.db2.gz ICXGPJMAAHDIGQ-UHFFFAOYSA-N -1 1 400.481 4.004 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000549146536 941165282 /nfs/dbraw/zinc/16/52/82/941165282.db2.gz LJEQEKLFSVHBGW-WKCHPHFGSA-N -1 1 414.509 4.032 20 0 HIADMM COc1cccc(NC2CCN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)CC2)c1 ZINC000549201989 941170754 /nfs/dbraw/zinc/17/07/54/941170754.db2.gz ITDMUZSYQFSGQM-UHFFFAOYSA-N -1 1 411.889 4.319 20 0 HIADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCc3ccc(-c4ccccc4)cc32)c(C(F)(F)F)n1 ZINC000549407220 941186968 /nfs/dbraw/zinc/18/69/68/941186968.db2.gz AFCGOTLGPCFEQD-QGZVFWFLSA-N -1 1 421.444 4.072 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)cc1 ZINC000549467575 941192993 /nfs/dbraw/zinc/19/29/93/941192993.db2.gz IIQYONOLXCXDFM-UHFFFAOYSA-N -1 1 401.513 4.268 20 0 HIADMM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1=O ZINC000549584898 941200399 /nfs/dbraw/zinc/20/03/99/941200399.db2.gz OPQPKADLBUUVCF-DOTOQJQBSA-N -1 1 418.497 4.287 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc2c(c1)CCCC2 ZINC000549722633 941205727 /nfs/dbraw/zinc/20/57/27/941205727.db2.gz AXCCCMQARCMUSD-UHFFFAOYSA-N -1 1 405.426 4.354 20 0 HIADMM CCC[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccn1 ZINC000549756881 941206578 /nfs/dbraw/zinc/20/65/78/941206578.db2.gz NBNUOYIJPLBYQX-HXUWFJFHSA-N -1 1 409.511 4.405 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4[nH]c(C(F)F)nc4c3)cc(Cl)c2O1 ZINC000550642796 941349122 /nfs/dbraw/zinc/34/91/22/941349122.db2.gz UGWJMXCGTQTPTD-QMMMGPOBSA-N -1 1 413.833 4.278 20 0 HIADMM COc1ccc(Br)c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000551107873 941411130 /nfs/dbraw/zinc/41/11/30/941411130.db2.gz JPWZLMIWYUTMJS-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM Cc1c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c2ccccc2n1C ZINC000551467769 941485796 /nfs/dbraw/zinc/48/57/96/941485796.db2.gz KUFZEZAARUTLBG-UHFFFAOYSA-N -1 1 412.389 4.005 20 0 HIADMM O=S(=O)([N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1c(Cl)ccc(F)c1F ZINC000551478015 941487633 /nfs/dbraw/zinc/48/76/33/941487633.db2.gz WMNPWCSJMFIBOL-AWEZNQCLSA-N -1 1 413.833 4.147 20 0 HIADMM Cc1nc2ccccc2n1CCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552206325 941602302 /nfs/dbraw/zinc/60/23/02/941602302.db2.gz OSCVALJHPHMLMY-UHFFFAOYSA-N -1 1 408.683 4.495 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(N3CCCCCC3)cc2C)c(=O)[n-]1 ZINC000552296582 941625948 /nfs/dbraw/zinc/62/59/48/941625948.db2.gz XKQHGBFXTPHXGC-UHFFFAOYSA-N -1 1 414.575 4.473 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(OCCCOC)c(OC)c2)cc(Cl)c1[O-] ZINC000552888275 941798211 /nfs/dbraw/zinc/79/82/11/941798211.db2.gz RBKRYNIVYVXEMY-UHFFFAOYSA-N -1 1 409.866 4.121 20 0 HIADMM CC1(C)CN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@H]1c1cccnc1 ZINC000553088725 941830617 /nfs/dbraw/zinc/83/06/17/941830617.db2.gz IXEPURFVNDHJLM-SFHVURJKSA-N -1 1 412.287 4.321 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000553606063 941918915 /nfs/dbraw/zinc/91/89/15/941918915.db2.gz SRECJWDNACCCFJ-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc(Br)c1[O-] ZINC000553663254 941938052 /nfs/dbraw/zinc/93/80/52/941938052.db2.gz ILOFBFNDHXYMJX-UHFFFAOYSA-N -1 1 403.232 4.205 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2nc3c(s2)c(Cl)ccc3C)c(=O)[n-]1 ZINC000553824974 941977837 /nfs/dbraw/zinc/97/78/37/941977837.db2.gz HTLNKDMINQZCOX-UHFFFAOYSA-N -1 1 408.936 4.355 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000553942056 942003907 /nfs/dbraw/zinc/00/39/07/942003907.db2.gz FLGSEGMFFQKTJP-UHFFFAOYSA-N -1 1 418.902 4.314 20 0 HIADMM Cc1cccn(Cc2c(F)cccc2[N-]S(=O)(=O)c2cc(Cl)ccc2C)c1=O ZINC000554689746 942199898 /nfs/dbraw/zinc/19/98/98/942199898.db2.gz MTFHGIBTMFIMCC-UHFFFAOYSA-N -1 1 420.893 4.107 20 0 HIADMM CCCc1nc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)n2)co1 ZINC000554845357 942283007 /nfs/dbraw/zinc/28/30/07/942283007.db2.gz JOCZDEAGNAXUBO-UHFFFAOYSA-N -1 1 424.482 4.453 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(OCCc2ccccc2)CC1 ZINC000554849882 942286717 /nfs/dbraw/zinc/28/67/17/942286717.db2.gz FKFIECDQQUKDJA-UHFFFAOYSA-N -1 1 410.901 4.458 20 0 HIADMM Cc1nc2c(cccc2C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)[nH]1 ZINC000554996008 942348382 /nfs/dbraw/zinc/34/83/82/942348382.db2.gz QVSATAKAPQOFTR-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM O=S(=O)(Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000556064284 942800231 /nfs/dbraw/zinc/80/02/31/942800231.db2.gz XFRZQTUIESOURP-UHFFFAOYSA-N -1 1 402.690 4.406 20 0 HIADMM O=S(=O)(Cc1ccc(Cl)cc1Cl)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000556064284 942800232 /nfs/dbraw/zinc/80/02/32/942800232.db2.gz XFRZQTUIESOURP-UHFFFAOYSA-N -1 1 402.690 4.406 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000556661072 942928991 /nfs/dbraw/zinc/92/89/91/942928991.db2.gz PAPJCLGLWKKPBS-UHFFFAOYSA-N -1 1 411.368 4.026 20 0 HIADMM COCCC[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccc(Cl)cc1 ZINC000557342629 943078997 /nfs/dbraw/zinc/07/89/97/943078997.db2.gz OVYWOEVUGQUOHU-MRXNPFEDSA-N -1 1 419.953 4.382 20 0 HIADMM CC(C)[C@H]1N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC12CCC2 ZINC000557367786 943089647 /nfs/dbraw/zinc/08/96/47/943089647.db2.gz DLOLVWIFHDHFFH-HXUWFJFHSA-N -1 1 416.518 4.277 20 0 HIADMM C[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557762664 943283967 /nfs/dbraw/zinc/28/39/67/943283967.db2.gz LIFYXLWWWLMXQH-ZUZCIYMTSA-N -1 1 401.331 4.291 20 0 HIADMM Cc1ncc(-c2ccc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)cc2)o1 ZINC000557913428 943327531 /nfs/dbraw/zinc/32/75/31/943327531.db2.gz BMLSMWQIJGTJOE-UHFFFAOYSA-N -1 1 415.453 4.087 20 0 HIADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](F)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000557951159 943338168 /nfs/dbraw/zinc/33/81/68/943338168.db2.gz JMKHMNKUNDSMCV-CVEARBPZSA-N -1 1 410.898 4.070 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)c1 ZINC000558598560 943613168 /nfs/dbraw/zinc/61/31/68/943613168.db2.gz DQCLLHRDECJOSU-UHFFFAOYSA-N -1 1 405.907 4.051 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000560616196 944275482 /nfs/dbraw/zinc/27/54/82/944275482.db2.gz UOISHWWSQKNWBN-FYYLOGMGSA-N -1 1 420.534 4.390 20 0 HIADMM C[C@H]1CC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000560805733 944338773 /nfs/dbraw/zinc/33/87/73/944338773.db2.gz NUWWZEIVVNHAQT-YVEFUNNKSA-N -1 1 412.433 4.035 20 0 HIADMM C[C@@H]1CC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000560805731 944339001 /nfs/dbraw/zinc/33/90/01/944339001.db2.gz NUWWZEIVVNHAQT-SJKOYZFVSA-N -1 1 412.433 4.035 20 0 HIADMM O=S(=O)([N-]Cc1cccc(Cl)c1Cl)c1sccc1Br ZINC000561862767 944826547 /nfs/dbraw/zinc/82/65/47/944826547.db2.gz PAKDNTDYYAIWDN-UHFFFAOYSA-N -1 1 401.134 4.296 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000561880585 944834336 /nfs/dbraw/zinc/83/43/36/944834336.db2.gz NYZQGXRKJCCEPK-LBPRGKRZSA-N -1 1 420.918 4.121 20 0 HIADMM O=S(=O)([N-]C1(c2ccc(F)cc2)CCOCC1)c1cc(Cl)sc1Cl ZINC000561911410 944852196 /nfs/dbraw/zinc/85/21/96/944852196.db2.gz SPLSLEGGGOCGSJ-UHFFFAOYSA-N -1 1 410.319 4.178 20 0 HIADMM COC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCCC1 ZINC000562335696 945061385 /nfs/dbraw/zinc/06/13/85/945061385.db2.gz YNAZHXDIMMXWRR-UHFFFAOYSA-N -1 1 422.934 4.347 20 0 HIADMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)c1 ZINC000565454120 945834228 /nfs/dbraw/zinc/83/42/28/945834228.db2.gz ICNQJVRUURCURE-UHFFFAOYSA-N -1 1 419.405 4.185 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](CC3CC3)C2)cc1 ZINC000568790052 946690346 /nfs/dbraw/zinc/69/03/46/946690346.db2.gz OOSQDYYBQFYCOB-QGZVFWFLSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccn(C)c4)no3)cc2)cc1C ZINC000570605183 947313032 /nfs/dbraw/zinc/31/30/32/947313032.db2.gz ZZLUXVLNGPXWRZ-UHFFFAOYSA-N -1 1 408.483 4.160 20 0 HIADMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1ccc2cc(Br)ccc2c1 ZINC000571218027 947551483 /nfs/dbraw/zinc/55/14/83/947551483.db2.gz IPKIKFJCCITAGB-UHFFFAOYSA-N -1 1 420.210 4.145 20 0 HIADMM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000571568158 947706620 /nfs/dbraw/zinc/70/66/20/947706620.db2.gz GDPQVEJFARBYSU-INIZCTEOSA-N -1 1 412.486 4.444 20 0 HIADMM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)c1 ZINC000573748541 948288185 /nfs/dbraw/zinc/28/81/85/948288185.db2.gz ZSDMYEOPXBKGKQ-UHFFFAOYSA-N -1 1 408.951 4.238 20 0 HIADMM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1c(F)cc(C(F)(F)F)cc1F ZINC000574008200 948348554 /nfs/dbraw/zinc/34/85/54/948348554.db2.gz PBXNVPMVPCTLFC-UHFFFAOYSA-N -1 1 400.282 4.084 20 0 HIADMM O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000574065023 948356464 /nfs/dbraw/zinc/35/64/64/948356464.db2.gz RDBLHAHIJYWLBS-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1n[nH]nc1-c1ccccc1 ZINC000574096290 948364550 /nfs/dbraw/zinc/36/45/50/948364550.db2.gz ORAAEXQZIJEPOZ-UHFFFAOYSA-N -1 1 400.826 4.035 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)[C@@H](C)C(C)C)cc2)cc1 ZINC000574121970 948371645 /nfs/dbraw/zinc/37/16/45/948371645.db2.gz YAOSQDFLOTXVAA-KRWDZBQOSA-N -1 1 418.559 4.393 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1c(F)cccc1OC(F)(F)F ZINC000574301608 948405959 /nfs/dbraw/zinc/40/59/59/948405959.db2.gz HABYPNUFAFZKBE-MRXNPFEDSA-N -1 1 415.364 4.385 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000574778452 948523552 /nfs/dbraw/zinc/52/35/52/948523552.db2.gz LBVWMPGMTFTGON-LJQANCHMSA-N -1 1 424.497 4.256 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c2ccccc2n1C ZINC000575205637 948629252 /nfs/dbraw/zinc/62/92/52/948629252.db2.gz ZVFBMAPFWJQKAT-UHFFFAOYSA-N -1 1 415.584 4.149 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000575323529 948646299 /nfs/dbraw/zinc/64/62/99/948646299.db2.gz YFFLROBBXZXZNN-CYBMUJFWSA-N -1 1 411.449 4.251 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2OC(C)(C)C)c1 ZINC000575598722 948682745 /nfs/dbraw/zinc/68/27/45/948682745.db2.gz FTZWIRINZQWQSY-UHFFFAOYSA-N -1 1 409.442 4.371 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(OC)cc1Br ZINC000436023438 861316893 /nfs/dbraw/zinc/31/68/93/861316893.db2.gz BAIRSUVYRSTNCO-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c(Cl)c1 ZINC000436154739 861455305 /nfs/dbraw/zinc/45/53/05/861455305.db2.gz ODFDINBFEMQTJZ-UHFFFAOYSA-N -1 1 409.870 4.253 20 0 HIADMM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)cn1 ZINC000436160320 861461395 /nfs/dbraw/zinc/46/13/95/861461395.db2.gz IDNDTOVAPCSTLX-UHFFFAOYSA-N -1 1 421.906 4.122 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C[C@H]1C ZINC000436181289 861483244 /nfs/dbraw/zinc/48/32/44/861483244.db2.gz NSZOXJASWMDXLL-BETUJISGSA-N -1 1 410.898 4.008 20 0 HIADMM Cc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000003523939 845034242 /nfs/dbraw/zinc/03/42/42/845034242.db2.gz VYJQGLRYAWVGOT-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCCCC1 ZINC000006176940 845180748 /nfs/dbraw/zinc/18/07/48/845180748.db2.gz YLCUQCNEAQJTNK-UHFFFAOYSA-N -1 1 412.433 4.132 20 0 HIADMM Cc1ccc(NC(=O)Cc2nc(CSc3nc(C4CC4)cc(=O)[n-]3)cs2)cc1 ZINC000436239254 861547995 /nfs/dbraw/zinc/54/79/95/861547995.db2.gz ICWIWELFSDHGDT-UHFFFAOYSA-N -1 1 412.540 4.298 20 0 HIADMM CCc1cccc(CC)c1Nc1nc([O-])c(CC(=O)Nc2ccccc2OC)s1 ZINC000007126837 845260141 /nfs/dbraw/zinc/26/01/41/845260141.db2.gz ZXIYUWVDKKGWJS-SFHVURJKSA-N -1 1 411.527 4.259 20 0 HIADMM CCc1cc2c(COC(=O)/C=C/c3nc4ccccc4s3)cc(=O)oc2cc1[O-] ZINC000007432734 845331381 /nfs/dbraw/zinc/33/13/81/845331381.db2.gz IXUAWROBULHFDO-BQYQJAHWSA-N -1 1 407.447 4.427 20 0 HIADMM CCc1cc2c(COC(=O)Cc3cc(Cl)ccc3OC)cc(=O)oc2cc1[O-] ZINC000007518914 845351330 /nfs/dbraw/zinc/35/13/30/845351330.db2.gz YQFUVVNSMRIVMI-UHFFFAOYSA-N -1 1 402.830 4.009 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007709062 845394098 /nfs/dbraw/zinc/39/40/98/845394098.db2.gz XJFKJCPSAFIAIW-UHFFFAOYSA-N -1 1 406.935 4.392 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000007729023 845400348 /nfs/dbraw/zinc/40/03/48/845400348.db2.gz VLJXPUZXJBYBSU-UHFFFAOYSA-N -1 1 411.405 4.091 20 0 HIADMM Cc1ccsc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000007898232 845443435 /nfs/dbraw/zinc/44/34/35/845443435.db2.gz MJNSILKZHYOOMP-UHFFFAOYSA-N -1 1 400.525 4.130 20 0 HIADMM CCc1cc2c(COC(=O)CCC(=O)c3ccc(C)c(C)c3)cc(=O)oc2cc1[O-] ZINC000008000587 845459766 /nfs/dbraw/zinc/45/97/66/845459766.db2.gz GZQHCSFJPKZSBQ-UHFFFAOYSA-N -1 1 408.450 4.384 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCCC[C@@H]3C)c2)cc1F ZINC000008033564 845466077 /nfs/dbraw/zinc/46/60/77/845466077.db2.gz QVMAKQUEXRDXHP-YWZLYKJASA-N -1 1 404.507 4.243 20 0 HIADMM C[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000008033500 845466142 /nfs/dbraw/zinc/46/61/42/845466142.db2.gz OJUWCPXOIKAZHU-INIZCTEOSA-N -1 1 412.486 4.160 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCCC[C@@H]3C)c2)cc1 ZINC000008033560 845466447 /nfs/dbraw/zinc/46/64/47/845466447.db2.gz PMDOCZPXOBJYEW-KKSFZXQISA-N -1 1 416.543 4.195 20 0 HIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC000008110461 845477573 /nfs/dbraw/zinc/47/75/73/845477573.db2.gz HXYNNNAQHFFEML-UHFFFAOYSA-N -1 1 417.556 4.057 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C)c2)cc1 ZINC000008207369 845493148 /nfs/dbraw/zinc/49/31/48/845493148.db2.gz IHMZQFLXDUGMIU-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccccc3C)cc2)cc1 ZINC000008240583 845495795 /nfs/dbraw/zinc/49/57/95/845495795.db2.gz HXKIKUGOSWSQEX-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)o1 ZINC000436275860 861583324 /nfs/dbraw/zinc/58/33/24/861583324.db2.gz QVJYLHKDRXOVJR-GOSISDBHSA-N -1 1 424.522 4.149 20 0 HIADMM Cc1ccc(CCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000009890196 845599801 /nfs/dbraw/zinc/59/98/01/845599801.db2.gz LDLYXVIHJQGKQS-UHFFFAOYSA-N -1 1 422.550 4.467 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1nc(Cl)ccc1Cl ZINC000009904599 845601964 /nfs/dbraw/zinc/60/19/64/845601964.db2.gz LXDJASAWQYLYLW-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM Cc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000010555746 845674587 /nfs/dbraw/zinc/67/45/87/845674587.db2.gz JPWZMXWRXMUEDF-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000010665198 845690583 /nfs/dbraw/zinc/69/05/83/845690583.db2.gz OIVZZDGEOKCAEC-UHFFFAOYSA-N -1 1 404.442 4.313 20 0 HIADMM CCc1cc2c(COC(=O)Cc3ccc(C(F)(F)F)cc3)cc(=O)oc2cc1[O-] ZINC000011069575 845750849 /nfs/dbraw/zinc/75/08/49/845750849.db2.gz ODEKUQBHXABJBJ-UHFFFAOYSA-N -1 1 406.356 4.366 20 0 HIADMM CCc1cc2c(COC(=O)Cc3ccc(Br)cc3)cc(=O)oc2cc1[O-] ZINC000011445327 845796672 /nfs/dbraw/zinc/79/66/72/845796672.db2.gz WUBOVCYQGWPRKO-UHFFFAOYSA-N -1 1 417.255 4.109 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000011916695 845841074 /nfs/dbraw/zinc/84/10/74/845841074.db2.gz SOTSPGAUDBNSPL-UHFFFAOYSA-N -1 1 421.526 4.072 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000011979113 845845778 /nfs/dbraw/zinc/84/57/78/845845778.db2.gz CXEOAWRKBMREPN-UHFFFAOYSA-N -1 1 423.929 4.327 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(C)c(F)c2)cc1 ZINC000012488291 845875206 /nfs/dbraw/zinc/87/52/06/845875206.db2.gz KSIFPQLHSQNVAK-UHFFFAOYSA-N -1 1 414.506 4.160 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000012970368 845901215 /nfs/dbraw/zinc/90/12/15/845901215.db2.gz XHYGPVIVNUJPHT-UHFFFAOYSA-N -1 1 418.824 4.286 20 0 HIADMM Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)c2)cs1 ZINC000013066924 845903870 /nfs/dbraw/zinc/90/38/70/845903870.db2.gz ZFNUYMHLUFBGBB-UHFFFAOYSA-N -1 1 408.888 4.271 20 0 HIADMM Cc1noc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000014795444 845981801 /nfs/dbraw/zinc/98/18/01/845981801.db2.gz UWUYNFKUBJJPAM-UHFFFAOYSA-N -1 1 419.890 4.306 20 0 HIADMM CC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015273707 846027202 /nfs/dbraw/zinc/02/72/02/846027202.db2.gz LCIMBRVMPIHQHZ-NSHDSACASA-N -1 1 401.315 4.323 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc4C3)cc2)ccc1F ZINC000015339298 846036937 /nfs/dbraw/zinc/03/69/37/846036937.db2.gz LAARTBVCJLMHLS-UHFFFAOYSA-N -1 1 424.497 4.133 20 0 HIADMM Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)N[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC000015385983 846042969 /nfs/dbraw/zinc/04/29/69/846042969.db2.gz LYTTZGJIIJDEKV-JTQLQIEISA-N -1 1 417.239 4.117 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3F)cc2)cc1 ZINC000015422051 846047089 /nfs/dbraw/zinc/04/70/89/846047089.db2.gz DMNMMQGAQYOCRY-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM CC(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000015437836 846049724 /nfs/dbraw/zinc/04/97/24/846049724.db2.gz TUWRVSQKAMWVJQ-UHFFFAOYSA-N -1 1 400.422 4.491 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)ccc3F)c2)cc1 ZINC000015539245 846059007 /nfs/dbraw/zinc/05/90/07/846059007.db2.gz ARZAESDRGQQTLO-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)cc1 ZINC000015564155 846063210 /nfs/dbraw/zinc/06/32/10/846063210.db2.gz BTXDUHVTFBWTQY-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000015739432 846087889 /nfs/dbraw/zinc/08/78/89/846087889.db2.gz BRVZSZBFBMWZKF-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000015744153 846089059 /nfs/dbraw/zinc/08/90/59/846089059.db2.gz STHCURYATQZRJW-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c1 ZINC000015789424 846090940 /nfs/dbraw/zinc/09/09/40/846090940.db2.gz WEGQTEYPDIPDBL-UHFFFAOYSA-N -1 1 410.495 4.311 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)cc1 ZINC000015896934 846101857 /nfs/dbraw/zinc/10/18/57/846101857.db2.gz ZPZAYJQNEWVITP-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM COc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000016505651 846179819 /nfs/dbraw/zinc/17/98/19/846179819.db2.gz GFYSBPUCAJXBDV-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)c1C ZINC000016597426 846187907 /nfs/dbraw/zinc/18/79/07/846187907.db2.gz MOTLPWHFGOQWRU-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)CC[C@H]3C)cc2)ccc1F ZINC000436340011 861649582 /nfs/dbraw/zinc/64/95/82/861649582.db2.gz UFDYQUHXXKWREN-GDBMZVCRSA-N -1 1 404.507 4.196 20 0 HIADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000017128098 846231595 /nfs/dbraw/zinc/23/15/95/846231595.db2.gz WKZADUHKHMALQX-UHFFFAOYSA-N -1 1 401.315 4.180 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cc1C ZINC000017302029 846241437 /nfs/dbraw/zinc/24/14/37/846241437.db2.gz ARGRAEGGSQCQRL-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000017297768 846242046 /nfs/dbraw/zinc/24/20/46/846242046.db2.gz HFRMGOTVLYJGFN-UHFFFAOYSA-N -1 1 400.935 4.319 20 0 HIADMM O=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000017335219 846246966 /nfs/dbraw/zinc/24/69/66/846246966.db2.gz ZHSBWHUMEVCVRK-UHFFFAOYSA-N -1 1 402.491 4.247 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)ccc1F ZINC000017323764 846247211 /nfs/dbraw/zinc/24/72/11/846247211.db2.gz ZNXJZJDCBACCHB-MRXNPFEDSA-N -1 1 412.486 4.426 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccccc3)c2)c1 ZINC000017334327 846247367 /nfs/dbraw/zinc/24/73/67/846247367.db2.gz GYIFLKGCUMCNJN-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM O=C(Nc1ccncc1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000017585883 846259825 /nfs/dbraw/zinc/25/98/25/846259825.db2.gz RZJDYDYUQKRUTJ-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM CC(C)CC(=O)N[N-]C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000017820214 846270132 /nfs/dbraw/zinc/27/01/32/846270132.db2.gz NLIQEODCULGPSF-UHFFFAOYSA-N -1 1 407.879 4.207 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)o1 ZINC000017957487 846279160 /nfs/dbraw/zinc/27/91/60/846279160.db2.gz JJWNJHKZOPWLMZ-UHFFFAOYSA-N -1 1 418.902 4.314 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(C)cc3)c2)cc1 ZINC000018084049 846292968 /nfs/dbraw/zinc/29/29/68/846292968.db2.gz QJIRVXXIWLMZTR-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCCc1cccc(Cl)c1 ZINC000018106066 846296163 /nfs/dbraw/zinc/29/61/63/846296163.db2.gz OZSPFVNCDYOYNG-UHFFFAOYSA-N -1 1 407.326 4.273 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000018205775 846309530 /nfs/dbraw/zinc/30/95/30/846309530.db2.gz AXWJEYMDIHTUPX-UHFFFAOYSA-N -1 1 418.975 4.478 20 0 HIADMM CCc1cc2c(COC(=O)c3ccc(Br)cc3F)cc(=O)oc2cc1[O-] ZINC000018612566 846334298 /nfs/dbraw/zinc/33/42/98/846334298.db2.gz PTJCRHGEVXWLGO-UHFFFAOYSA-N -1 1 421.218 4.320 20 0 HIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1=Cc2ccccc2OC1 ZINC000019612309 846369060 /nfs/dbraw/zinc/36/90/60/846369060.db2.gz OGIGMMMXRYPLAX-UHFFFAOYSA-N -1 1 416.458 4.171 20 0 HIADMM O=C([N-]c1nncs1)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000021213238 846417677 /nfs/dbraw/zinc/41/76/77/846417677.db2.gz RMWVSLFVGZLQEW-UHFFFAOYSA-N -1 1 416.388 4.057 20 0 HIADMM O=C(Nc1cccc2cnccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021219270 846418269 /nfs/dbraw/zinc/41/82/69/846418269.db2.gz DWHXXBZZAOTFAN-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CC(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000021283399 846423961 /nfs/dbraw/zinc/42/39/61/846423961.db2.gz SOPHCXIGHYHIAF-UHFFFAOYSA-N -1 1 407.923 4.090 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccnn3C(C)C)cc2)c1 ZINC000022291530 846554081 /nfs/dbraw/zinc/55/40/81/846554081.db2.gz ILXAKLFJEXTJTL-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CC(C)n1nccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000022290199 846554174 /nfs/dbraw/zinc/55/41/74/846554174.db2.gz WFBKAYXRGKHVED-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)c1 ZINC000022869732 846629903 /nfs/dbraw/zinc/62/99/03/846629903.db2.gz JREPTDZZGQRKRD-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM CN(Cc1ccc(F)cc1F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000022895676 846634541 /nfs/dbraw/zinc/63/45/41/846634541.db2.gz CGQMXHLEPYGETK-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM CC(C)c1nnc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)s1 ZINC000023023145 846649198 /nfs/dbraw/zinc/64/91/98/846649198.db2.gz PKVBVYZTXOJFLN-UHFFFAOYSA-N -1 1 414.491 4.362 20 0 HIADMM Cc1ccccc1CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000023146258 846663823 /nfs/dbraw/zinc/66/38/23/846663823.db2.gz XMWQPRADURLKAQ-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1 ZINC000023496668 846709680 /nfs/dbraw/zinc/70/96/80/846709680.db2.gz LYIZUCYMHMMCLQ-UHFFFAOYSA-N -1 1 418.902 4.314 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000024103262 846790403 /nfs/dbraw/zinc/79/04/03/846790403.db2.gz HPPBWKWQXNKOFD-UHFFFAOYSA-N -1 1 400.481 4.004 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)CSc3ccc(F)cc3)n2)n[n-]c1=S ZINC000026043142 847075940 /nfs/dbraw/zinc/07/59/40/847075940.db2.gz TWHBQDFYCUEUCG-UHFFFAOYSA-N -1 1 421.548 4.044 20 0 HIADMM CCCc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2Br)cc1 ZINC000026319148 847123881 /nfs/dbraw/zinc/12/38/81/847123881.db2.gz RDRKELXJLAZKOW-UHFFFAOYSA-N -1 1 414.321 4.220 20 0 HIADMM O=C(NC1CCCCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000026538314 847166582 /nfs/dbraw/zinc/16/65/82/847166582.db2.gz RCQBNBKDIQEIMV-UHFFFAOYSA-N -1 1 404.507 4.469 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cc1OC ZINC000026544214 847166808 /nfs/dbraw/zinc/16/68/08/847166808.db2.gz KNPGUYVEOLPLBD-UHFFFAOYSA-N -1 1 417.458 4.223 20 0 HIADMM Cc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c1 ZINC000026885016 847215994 /nfs/dbraw/zinc/21/59/94/847215994.db2.gz CJJYZVWUIXZHLB-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1OC ZINC000027136134 847254275 /nfs/dbraw/zinc/25/42/75/847254275.db2.gz XWUSYFSWGVCVOF-OAQYLSRUSA-N -1 1 424.522 4.377 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)C1 ZINC000027152915 847256343 /nfs/dbraw/zinc/25/63/43/847256343.db2.gz FLAFFRQKODRNKN-SFHVURJKSA-N -1 1 400.544 4.366 20 0 HIADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000027706803 847342144 /nfs/dbraw/zinc/34/21/44/847342144.db2.gz HRRNWUNXILTQEG-IERDGZPVSA-N -1 1 416.543 4.195 20 0 HIADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000027707489 847343717 /nfs/dbraw/zinc/34/37/17/847343717.db2.gz KNQNEUXBXQXHAW-KKSFZXQISA-N -1 1 416.543 4.195 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3OC)cc2)cc1 ZINC000028781674 847460787 /nfs/dbraw/zinc/46/07/87/847460787.db2.gz LINLLOIBCYHWFV-UHFFFAOYSA-N -1 1 413.451 4.075 20 0 HIADMM CC(C)CCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000028972941 847485905 /nfs/dbraw/zinc/48/59/05/847485905.db2.gz FSFPRHNHYZJJJA-UHFFFAOYSA-N -1 1 403.548 4.219 20 0 HIADMM COCc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000029143820 847513747 /nfs/dbraw/zinc/51/37/47/847513747.db2.gz VTBRVSDELWQCPZ-UHFFFAOYSA-N -1 1 414.458 4.025 20 0 HIADMM CCC[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000029450564 847566215 /nfs/dbraw/zinc/56/62/15/847566215.db2.gz QEQAVUXVSBNRIG-MRXNPFEDSA-N -1 1 404.532 4.147 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc(C)c(C)s2)cc1 ZINC000029579677 847583490 /nfs/dbraw/zinc/58/34/90/847583490.db2.gz XJPSFCLUFBKOHD-UHFFFAOYSA-N -1 1 403.533 4.109 20 0 HIADMM O=C(Cc1ccccc1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000029697238 847602234 /nfs/dbraw/zinc/60/22/34/847602234.db2.gz HPEQCBMZONNOIP-UHFFFAOYSA-N -1 1 416.886 4.028 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(Cn3cccn3)c2)cc1 ZINC000029913585 847649356 /nfs/dbraw/zinc/64/93/56/847649356.db2.gz FFULPBMYIPBNLS-UHFFFAOYSA-N -1 1 418.526 4.190 20 0 HIADMM COc1ccc(CN(C)C(=O)c2cc(Br)ccc2[O-])cc1OC(F)F ZINC000029956267 847659868 /nfs/dbraw/zinc/65/98/68/847659868.db2.gz HJZSUIDXMRTIQZ-UHFFFAOYSA-N -1 1 416.218 4.037 20 0 HIADMM COc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)ccc1[N-]S(C)(=O)=O ZINC000029967947 847661067 /nfs/dbraw/zinc/66/10/67/847661067.db2.gz QWPLOKIDIZAICT-UHFFFAOYSA-N -1 1 412.467 4.111 20 0 HIADMM CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000030011932 847670467 /nfs/dbraw/zinc/67/04/67/847670467.db2.gz GRERALYFJAQPTD-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3nc(C)cs3)c(F)c2)c1 ZINC000436478206 861819350 /nfs/dbraw/zinc/81/93/50/861819350.db2.gz OJUQBMULWXAQAB-UHFFFAOYSA-N -1 1 408.476 4.330 20 0 HIADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000030381933 847709904 /nfs/dbraw/zinc/70/99/04/847709904.db2.gz UHAIENYRXHARIO-XOBRGWDASA-N -1 1 422.497 4.416 20 0 HIADMM Cc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)sc1-c1ccccc1 ZINC000030645475 847751327 /nfs/dbraw/zinc/75/13/27/847751327.db2.gz LSZOLRCNPAGSRF-UHFFFAOYSA-N -1 1 419.528 4.041 20 0 HIADMM O=C(NC(C1CC1)C1CC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000030651397 847752438 /nfs/dbraw/zinc/75/24/38/847752438.db2.gz LUMKNWOLCIZFEX-UHFFFAOYSA-N -1 1 404.919 4.059 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H]2CCCc3ccccc32)cc1 ZINC000030691201 847759581 /nfs/dbraw/zinc/75/95/81/847759581.db2.gz LZRXVPJMXWODHB-SFHVURJKSA-N -1 1 422.554 4.243 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)c1 ZINC000436504798 861828455 /nfs/dbraw/zinc/82/84/55/861828455.db2.gz OJCYGFMIAIECKG-UHFFFAOYSA-N -1 1 421.840 4.423 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000030995303 847806582 /nfs/dbraw/zinc/80/65/82/847806582.db2.gz FQQHFHVXJMZZCY-UHFFFAOYSA-N -1 1 424.530 4.085 20 0 HIADMM CC(C)CC[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000031001156 847807529 /nfs/dbraw/zinc/80/75/29/847807529.db2.gz ZZIWNDTYRMJVJB-INIZCTEOSA-N -1 1 406.523 4.110 20 0 HIADMM COc1cccc2c1[C@H](c1nc(-c3cc(Br)c([O-])c(OC)c3)no1)CC2 ZINC000436521042 861832760 /nfs/dbraw/zinc/83/27/60/861832760.db2.gz KFIHUNIJJNXOPH-GFCCVEGCSA-N -1 1 417.259 4.300 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N(Cc1ccccc1)C1CC1 ZINC000031069944 847817644 /nfs/dbraw/zinc/81/76/44/847817644.db2.gz HDVWCDUVFJNYEY-UHFFFAOYSA-N -1 1 406.507 4.292 20 0 HIADMM Cc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)c1 ZINC000031107578 847825137 /nfs/dbraw/zinc/82/51/37/847825137.db2.gz GJQZBJLLLOBPBO-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436523372 861833767 /nfs/dbraw/zinc/83/37/67/861833767.db2.gz ASVUYMGBBGFEJH-UHFFFAOYSA-N -1 1 421.202 4.429 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)CCO4)cc2)c1 ZINC000031374241 847870654 /nfs/dbraw/zinc/87/06/54/847870654.db2.gz BUMIWQJKHGTSDN-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(OCCc2ccccc2)CC1 ZINC000436537093 861841156 /nfs/dbraw/zinc/84/11/56/861841156.db2.gz FNGPAGZLZMYEHT-UHFFFAOYSA-N -1 1 404.304 4.019 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c2ccccc2O1 ZINC000436538561 861842001 /nfs/dbraw/zinc/84/20/01/861842001.db2.gz KCBWNZGUEJWIDB-ZDUSSCGKSA-N -1 1 424.403 4.350 20 0 HIADMM O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1ccc2ccccc2c1[O-] ZINC000436538827 861842661 /nfs/dbraw/zinc/84/26/61/861842661.db2.gz LOQCPYHOKRBMFQ-GDLZYMKVSA-N -1 1 409.507 4.225 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000031561949 847907618 /nfs/dbraw/zinc/90/76/18/847907618.db2.gz GHDZFZDNKWUVOE-UHFFFAOYSA-N -1 1 404.499 4.335 20 0 HIADMM O=S(=O)([N-]c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000031721731 847937982 /nfs/dbraw/zinc/93/79/82/847937982.db2.gz YPDJKOBISCLSAF-UHFFFAOYSA-N -1 1 419.568 4.083 20 0 HIADMM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000436549275 861846488 /nfs/dbraw/zinc/84/64/88/861846488.db2.gz VOBIQTCFYFLIFT-DIFFPNOSSA-N -1 1 410.695 4.410 20 0 HIADMM Cc1nccc(-c2cccc(NC(=O)Cn3c(=S)[n-]nc3-c3cccs3)c2)n1 ZINC000031801999 847952636 /nfs/dbraw/zinc/95/26/36/847952636.db2.gz CHUDAJSGUPYWQB-UHFFFAOYSA-N -1 1 408.512 4.073 20 0 HIADMM CCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000032071794 847984985 /nfs/dbraw/zinc/98/49/85/847984985.db2.gz MVBMVGGIUUFTKG-MRXNPFEDSA-N -1 1 404.532 4.147 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC000032098565 847987856 /nfs/dbraw/zinc/98/78/56/847987856.db2.gz QZWKZSKSYCOUBV-UHFFFAOYSA-N -1 1 406.460 4.034 20 0 HIADMM Cc1ccc(NC(=O)CC[C@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000032150283 847989459 /nfs/dbraw/zinc/98/94/59/847989459.db2.gz DTVLOJBEOZXSPT-GOSISDBHSA-N -1 1 422.934 4.347 20 0 HIADMM C[C@H]1C[C@H]1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000032393676 848017776 /nfs/dbraw/zinc/01/77/76/848017776.db2.gz YDRQJRFECSNSGM-AAEUAGOBSA-N -1 1 413.326 4.180 20 0 HIADMM O=C(Nc1ccc2ncsc2c1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436572206 861856821 /nfs/dbraw/zinc/85/68/21/861856821.db2.gz DOLVDDXURGYLKW-LJQANCHMSA-N -1 1 417.490 4.398 20 0 HIADMM CCOC(=O)C=Cc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000032464902 848032377 /nfs/dbraw/zinc/03/23/77/848032377.db2.gz PAIXSBZNFRRVTG-FMIVXFBMSA-N -1 1 422.510 4.131 20 0 HIADMM COc1cc(N[C@H]2CCCN(C(=O)c3cc4ccccc4cc3[O-])C2)cc(OC)c1 ZINC000436580050 861858713 /nfs/dbraw/zinc/85/87/13/861858713.db2.gz ZKOQDXXDEKKYRY-SFHVURJKSA-N -1 1 406.482 4.279 20 0 HIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000032588348 848049879 /nfs/dbraw/zinc/04/98/79/848049879.db2.gz OSSCDHCJMSGLFZ-UHFFFAOYSA-N -1 1 418.849 4.337 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1OC ZINC000032587718 848050067 /nfs/dbraw/zinc/05/00/67/848050067.db2.gz UNCFVTKIEPJBPD-UHFFFAOYSA-N -1 1 407.822 4.068 20 0 HIADMM CCc1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436584292 861859696 /nfs/dbraw/zinc/85/96/96/861859696.db2.gz LOKUAQYPJKLLHU-QHCPKHFHSA-N -1 1 416.521 4.371 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC ZINC000032631374 848056693 /nfs/dbraw/zinc/05/66/93/848056693.db2.gz DYWZZHPIPMFJDN-HXUWFJFHSA-N -1 1 408.479 4.160 20 0 HIADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)c1C ZINC000032632012 848057062 /nfs/dbraw/zinc/05/70/62/848057062.db2.gz NDYKNRGAKUPOAZ-UHFFFAOYSA-N -1 1 412.511 4.096 20 0 HIADMM COc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436586103 861860540 /nfs/dbraw/zinc/86/05/40/861860540.db2.gz UWUHORLUGANMLH-KSFYIVLOSA-N -1 1 418.493 4.036 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cccc2ccccc21 ZINC000032699002 848065494 /nfs/dbraw/zinc/06/54/94/848065494.db2.gz BWKYNBHXUKANJQ-AWEZNQCLSA-N -1 1 400.500 4.001 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cccc2ccccc21 ZINC000032699000 848065907 /nfs/dbraw/zinc/06/59/07/848065907.db2.gz BWKYNBHXUKANJQ-CQSZACIVSA-N -1 1 400.500 4.001 20 0 HIADMM O=C(N[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1)c1cc2ccccc2o1 ZINC000436590309 861861290 /nfs/dbraw/zinc/86/12/90/861861290.db2.gz SBNMFXHQFSAGDQ-IBGZPJMESA-N -1 1 414.461 4.326 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436591178 861861620 /nfs/dbraw/zinc/86/16/20/861861620.db2.gz PPBNFCXFMUDOMS-DJJJIMSYSA-N -1 1 400.425 4.327 20 0 HIADMM COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1[N-]S(C)(=O)=O ZINC000033069827 848105064 /nfs/dbraw/zinc/10/50/64/848105064.db2.gz XDFLBMVEAVMYAX-UHFFFAOYSA-N -1 1 422.934 4.171 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)o1 ZINC000033155312 848115218 /nfs/dbraw/zinc/11/52/18/848115218.db2.gz ALNHNQREBKKRPR-UHFFFAOYSA-N -1 1 412.511 4.203 20 0 HIADMM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436606045 861867618 /nfs/dbraw/zinc/86/76/18/861867618.db2.gz LMAWTJSFDNZWRJ-OAHLLOKOSA-N -1 1 414.303 4.118 20 0 HIADMM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(F)c(F)c1 ZINC000436607559 861867634 /nfs/dbraw/zinc/86/76/34/861867634.db2.gz GDVXZBFVJJWKRY-LHSJRXKWSA-N -1 1 424.447 4.306 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCC[C@H](C)C2)c1 ZINC000033184313 848121705 /nfs/dbraw/zinc/12/17/05/848121705.db2.gz HHFBZBUWDBRZGS-MAUKXSAKSA-N -1 1 400.544 4.413 20 0 HIADMM CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436614197 861870025 /nfs/dbraw/zinc/87/00/25/861870025.db2.gz ZRIZUGKWMONWQS-MNOVXSKESA-N -1 1 411.285 4.105 20 0 HIADMM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000036264479 848147834 /nfs/dbraw/zinc/14/78/34/848147834.db2.gz AKXHJKIMENBSER-UHFFFAOYSA-N -1 1 415.342 4.205 20 0 HIADMM C[C@@H]1CCCC[C@H]1NC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000036845481 848168907 /nfs/dbraw/zinc/16/89/07/848168907.db2.gz DKNZHARQHRLYHV-DNVCBOLYSA-N -1 1 403.573 4.353 20 0 HIADMM O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cc(Cl)ccc1[O-] ZINC000436633895 861876516 /nfs/dbraw/zinc/87/65/16/861876516.db2.gz DFWJDVQRSVXBOI-UHFFFAOYSA-N -1 1 411.889 4.095 20 0 HIADMM Cc1nc(NC(=O)C(=O)c2ccc([O-])cc2)sc1Cc1cccc(Cl)c1F ZINC000436633545 861876640 /nfs/dbraw/zinc/87/66/40/861876640.db2.gz IAULKUYYKIKVGV-UHFFFAOYSA-N -1 1 404.850 4.362 20 0 HIADMM Cc1ccc(C(=O)C2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)cc1 ZINC000436663483 861886723 /nfs/dbraw/zinc/88/67/23/861886723.db2.gz MAGQDKYHXCNRNL-UHFFFAOYSA-N -1 1 402.288 4.198 20 0 HIADMM O=C(Nc1cc2c(cn1)CCCC2)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436653262 861882767 /nfs/dbraw/zinc/88/27/67/861882767.db2.gz AUVRDZFOTKTWBP-NRFANRHFSA-N -1 1 415.493 4.063 20 0 HIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccccc1 ZINC000041817750 848254823 /nfs/dbraw/zinc/25/48/23/848254823.db2.gz FCOXWHMNDVNRCE-UHFFFAOYSA-N -1 1 416.449 4.432 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000041843784 848257157 /nfs/dbraw/zinc/25/71/57/848257157.db2.gz UESSVLAGBQYQIV-UHFFFAOYSA-N -1 1 408.527 4.202 20 0 HIADMM O=C(Nc1cc2c(cc1Sc1ccccc1)OCCO2)C(=O)c1ccc([O-])cc1 ZINC000436668384 861888371 /nfs/dbraw/zinc/88/83/71/861888371.db2.gz XWUPUPGVWMBSSR-UHFFFAOYSA-N -1 1 407.447 4.136 20 0 HIADMM CCOc1cc2c(cc1CNC(=O)c1cc(Cl)c([O-])c(OCC)c1)O[C@H](C)C2 ZINC000436675184 861890975 /nfs/dbraw/zinc/89/09/75/861890975.db2.gz JYWNFECWERZFCB-GFCCVEGCSA-N -1 1 405.878 4.096 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1cccc(NC(=S)NCc2cccs2)c1 ZINC000042788755 848354317 /nfs/dbraw/zinc/35/43/17/848354317.db2.gz AJFWWRMMSXYBQE-UHFFFAOYSA-N -1 1 403.554 4.036 20 0 HIADMM [O-]c1ccc(-c2nc(-c3ccc(OCc4nnc5n4CCCCC5)cc3)no2)c(F)c1 ZINC000436692902 861895679 /nfs/dbraw/zinc/89/56/79/861895679.db2.gz YTFYEWJKQPFAQJ-UHFFFAOYSA-N -1 1 421.432 4.145 20 0 HIADMM O=C(Nc1cccc(Br)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043134458 848387480 /nfs/dbraw/zinc/38/74/80/848387480.db2.gz LTRMPQXWYPWDCG-UHFFFAOYSA-N -1 1 403.276 4.282 20 0 HIADMM C[C@@H]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])C2)C1 ZINC000436716499 861902853 /nfs/dbraw/zinc/90/28/53/861902853.db2.gz QAXGZWIAJCPDAA-FTGWLVSGSA-N -1 1 406.526 4.189 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000043765529 848461564 /nfs/dbraw/zinc/46/15/64/848461564.db2.gz CZNQQTUHDVOXJK-AWEZNQCLSA-N -1 1 406.515 4.060 20 0 HIADMM C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC12CCC2 ZINC000436721656 861907198 /nfs/dbraw/zinc/90/71/98/861907198.db2.gz MLWUPEXWBDSFSH-UWJYYQICSA-N -1 1 406.526 4.189 20 0 HIADMM CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1c(C)noc1C ZINC000436722134 861907340 /nfs/dbraw/zinc/90/73/40/861907340.db2.gz JTIUIYVKSMCUAR-PMACEKPBSA-N -1 1 421.497 4.022 20 0 HIADMM CC(C)C(=O)Nc1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000044083871 848512550 /nfs/dbraw/zinc/51/25/50/848512550.db2.gz SJRNIXTVKSPFFQ-UHFFFAOYSA-N -1 1 409.486 4.114 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000436728031 861914881 /nfs/dbraw/zinc/91/48/81/861914881.db2.gz GVMBDWHRLNHGJR-UHFFFAOYSA-N -1 1 420.469 4.102 20 0 HIADMM O=C(Nc1ccccn1)c1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436740402 861922010 /nfs/dbraw/zinc/92/20/10/861922010.db2.gz RXOIDECOTHIGKH-UHFFFAOYSA-N -1 1 412.243 4.054 20 0 HIADMM CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436736859 861922734 /nfs/dbraw/zinc/92/27/34/861922734.db2.gz HQFRJSZREADXAG-UHFFFAOYSA-N -1 1 408.885 4.023 20 0 HIADMM CCN(CCc1cccs1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436742674 861925298 /nfs/dbraw/zinc/92/52/98/861925298.db2.gz WRIKHGGMBSIZKD-NRFANRHFSA-N -1 1 422.550 4.303 20 0 HIADMM CC(=O)N(c1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1)[C@H]1C[C@@H]1C ZINC000436742363 861926171 /nfs/dbraw/zinc/92/61/71/861926171.db2.gz VYXRQRBIOZASNY-GTNSWQLSSA-N -1 1 403.276 4.168 20 0 HIADMM CCN(CCc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000045466474 848682308 /nfs/dbraw/zinc/68/23/08/848682308.db2.gz ATLBKZCZNPPAOR-UHFFFAOYSA-N -1 1 408.523 4.192 20 0 HIADMM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436752529 861933662 /nfs/dbraw/zinc/93/36/62/861933662.db2.gz BCYUWXVSBJTGKU-CYBMUJFWSA-N -1 1 417.303 4.422 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1 ZINC000045891191 848747865 /nfs/dbraw/zinc/74/78/65/848747865.db2.gz GVMRMZLDUOZACD-UHFFFAOYSA-N -1 1 416.477 4.101 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC2(c3cccc(C)c3)CCCCC2)c(=O)[n-]1 ZINC000046248850 848811315 /nfs/dbraw/zinc/81/13/15/848811315.db2.gz SSBZRZWBVPOKPW-UHFFFAOYSA-N -1 1 413.587 4.472 20 0 HIADMM CC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436756983 861945925 /nfs/dbraw/zinc/94/59/25/861945925.db2.gz UOKUQXUBASUGMJ-KRWDZBQOSA-N -1 1 412.486 4.066 20 0 HIADMM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)cc1 ZINC000046358527 848831875 /nfs/dbraw/zinc/83/18/75/848831875.db2.gz BZZAGFMCVCWJRE-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM CCOc1cc(-c2noc(COc3ccc(C)cc3)n2)cc(Br)c1[O-] ZINC000436766620 861956665 /nfs/dbraw/zinc/95/66/65/861956665.db2.gz DSBFTLFINHUQSN-UHFFFAOYSA-N -1 1 405.248 4.491 20 0 HIADMM CCOc1cc(-c2noc(CSCc3cccnc3)n2)cc(Br)c1[O-] ZINC000436767222 861956726 /nfs/dbraw/zinc/95/67/26/861956726.db2.gz GDWORKTXSFQEIG-UHFFFAOYSA-N -1 1 422.304 4.432 20 0 HIADMM O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588336 848881014 /nfs/dbraw/zinc/88/10/14/848881014.db2.gz JPOHGLIQZVTQDR-UHFFFAOYSA-N -1 1 400.887 4.322 20 0 HIADMM CN(CC(F)F)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436766290 861956797 /nfs/dbraw/zinc/95/67/97/861956797.db2.gz CJUZFCMORSJWIP-UHFFFAOYSA-N -1 1 403.212 4.288 20 0 HIADMM Cc1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612069 848885934 /nfs/dbraw/zinc/88/59/34/848885934.db2.gz VNELNZOEYZKMIE-WYMLVPIESA-N -1 1 417.490 4.319 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000046611817 848885950 /nfs/dbraw/zinc/88/59/50/848885950.db2.gz HTTLSPZVHFBYIF-RTWAWAEBSA-N -1 1 410.470 4.369 20 0 HIADMM COc1ccc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1Br ZINC000436764978 861954471 /nfs/dbraw/zinc/95/44/71/861954471.db2.gz ODMKNJKOXDJQIO-VIFPVBQESA-N -1 1 414.683 4.316 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000436764753 861954624 /nfs/dbraw/zinc/95/46/24/861954624.db2.gz UHUZRJDXOYWRRW-UHFFFAOYSA-N -1 1 404.841 4.084 20 0 HIADMM CCOc1cc(-c2noc(CCc3ccc(OC)cc3)n2)cc(Br)c1[O-] ZINC000436765184 861954845 /nfs/dbraw/zinc/95/48/45/861954845.db2.gz BGIXBSKBKBMQHN-UHFFFAOYSA-N -1 1 419.275 4.397 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc4c(c3)COC4)n2)cc(Br)c1[O-] ZINC000436765279 861955385 /nfs/dbraw/zinc/95/53/85/861955385.db2.gz AALSYMKFDXLKBF-UHFFFAOYSA-N -1 1 403.232 4.301 20 0 HIADMM CCOc1cc(-c2noc(Cc3n[nH]c4ccccc43)n2)cc(Br)c1[O-] ZINC000436770222 861959392 /nfs/dbraw/zinc/95/93/92/861959392.db2.gz NTEMWDHNLVPLLW-UHFFFAOYSA-N -1 1 415.247 4.071 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000436776070 861965791 /nfs/dbraw/zinc/96/57/91/861965791.db2.gz ZBRYJFREXGHSHE-UHFFFAOYSA-N -1 1 405.372 4.112 20 0 HIADMM CCOc1cc(-c2noc(-c3ccnc(SC)c3)n2)cc(Br)c1[O-] ZINC000436778498 861968696 /nfs/dbraw/zinc/96/86/96/861968696.db2.gz SIWOKOFMCSVBLX-UHFFFAOYSA-N -1 1 408.277 4.387 20 0 HIADMM O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1ccc2ccccc2c1[O-] ZINC000436778091 861970270 /nfs/dbraw/zinc/97/02/70/861970270.db2.gz FKRMUNQUZNOGTN-UHFFFAOYSA-N -1 1 411.465 4.434 20 0 HIADMM N#C[C@@H](C(=O)C=Cc1ccccc1Cl)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362621 849032445 /nfs/dbraw/zinc/03/24/45/849032445.db2.gz SRESPGKTQGWOLG-HBWSCVEGSA-N -1 1 409.898 4.406 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)cc1NC(C)=O ZINC000047367547 849033754 /nfs/dbraw/zinc/03/37/54/849033754.db2.gz UPBSXCFLIBTUKS-UHFFFAOYSA-N -1 1 412.467 4.247 20 0 HIADMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1nc(-c2ccncc2)cs1 ZINC000436791844 861984704 /nfs/dbraw/zinc/98/47/04/861984704.db2.gz LLXTVPVXKLIPCV-JTQLQIEISA-N -1 1 404.289 4.164 20 0 HIADMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])c1nc(-c2ccncc2)cs1 ZINC000436792731 861987449 /nfs/dbraw/zinc/98/74/49/861987449.db2.gz PKEAOURZCBQECJ-JTQLQIEISA-N -1 1 404.289 4.164 20 0 HIADMM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3cccc(C(=O)NC4CC4)c3)ccc21 ZINC000048232191 849194468 /nfs/dbraw/zinc/19/44/68/849194468.db2.gz STKIHUUKEVABNK-UHFFFAOYSA-N -1 1 419.506 4.025 20 0 HIADMM O=C(Nc1cccc(-c2cnco2)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000048281939 849203723 /nfs/dbraw/zinc/20/37/23/849203723.db2.gz QHNPAGBTSZGHQS-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1sccc1Br ZINC000048444342 849223707 /nfs/dbraw/zinc/22/37/07/849223707.db2.gz OFHLNVYJLBQOQK-LLVKDONJSA-N -1 1 408.339 4.165 20 0 HIADMM O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000436810813 861996289 /nfs/dbraw/zinc/99/62/89/861996289.db2.gz YSDDCWJWYIBABS-JOCHJYFZSA-N -1 1 416.521 4.289 20 0 HIADMM CC(C)Cc1ccc(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000048817340 849271059 /nfs/dbraw/zinc/27/10/59/849271059.db2.gz CPDRTXHROWPNBM-GOSISDBHSA-N -1 1 419.550 4.481 20 0 HIADMM Cc1[nH]c2ccccc2c1CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817472 849271554 /nfs/dbraw/zinc/27/15/54/849271554.db2.gz CBQBQRGNASUIIX-MRXNPFEDSA-N -1 1 416.506 4.072 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC000050178280 849361212 /nfs/dbraw/zinc/36/12/12/849361212.db2.gz XAADBJBEQWNDKI-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436830979 862012300 /nfs/dbraw/zinc/01/23/00/862012300.db2.gz DXOJKZQKWVYDNP-CQSZACIVSA-N -1 1 402.441 4.431 20 0 HIADMM Fc1cccc(CN(C[C@@H]2CCCO2)Cn2c(=S)[n-]nc2Cc2cccs2)c1 ZINC000050898959 849420145 /nfs/dbraw/zinc/42/01/45/849420145.db2.gz HKCLXGCZPYHXPB-KRWDZBQOSA-N -1 1 418.563 4.371 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000436839306 862016502 /nfs/dbraw/zinc/01/65/02/862016502.db2.gz TUSWYUOIUMTDED-OAHLLOKOSA-N -1 1 405.376 4.401 20 0 HIADMM CCc1ccc(O)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436839996 862016880 /nfs/dbraw/zinc/01/68/80/862016880.db2.gz PIYOTRGCHIHYBE-HXUWFJFHSA-N -1 1 404.466 4.057 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCCc2ccccc2C1 ZINC000436842472 862019874 /nfs/dbraw/zinc/01/98/74/862019874.db2.gz XYAPZDNWNOMBBX-QHCPKHFHSA-N -1 1 414.505 4.125 20 0 HIADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000051468000 849472911 /nfs/dbraw/zinc/47/29/11/849472911.db2.gz YOGODFMKPBUKIY-DNVCBOLYSA-N -1 1 404.304 4.395 20 0 HIADMM O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1cc(Br)ccc1[O-] ZINC000436855313 862033879 /nfs/dbraw/zinc/03/38/79/862033879.db2.gz IRMDHOOEJUPCEG-QGZVFWFLSA-N -1 1 415.287 4.009 20 0 HIADMM O=C(Nc1cccc(Cl)c1[O-])c1cccc(C(=O)Nc2cccc(Cl)c2O)n1 ZINC000436870752 862048779 /nfs/dbraw/zinc/04/87/79/862048779.db2.gz FPZUJYUTHQWIKM-UHFFFAOYSA-N -1 1 418.236 4.304 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000053565271 849733249 /nfs/dbraw/zinc/73/32/49/849733249.db2.gz XDTAUIRHITXYSH-UHFFFAOYSA-N -1 1 412.515 4.352 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(C)s2)cc1 ZINC000053775880 849757737 /nfs/dbraw/zinc/75/77/37/849757737.db2.gz HRNOAULZCZTNEI-UHFFFAOYSA-N -1 1 402.545 4.083 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccc(OC(C)C)cc2)c1 ZINC000436878015 862053956 /nfs/dbraw/zinc/05/39/56/862053956.db2.gz AXXLDILFQYQYQP-UHFFFAOYSA-N -1 1 409.442 4.005 20 0 HIADMM CCOc1cc(-c2noc(Cc3cc(F)ccc3OC)n2)cc(Br)c1[O-] ZINC000436876603 862055382 /nfs/dbraw/zinc/05/53/82/862055382.db2.gz JHKPSZLYPNBFTD-UHFFFAOYSA-N -1 1 423.238 4.342 20 0 HIADMM CCOc1cc(-c2noc(CCc3nc(C)cs3)n2)cc(Br)c1[O-] ZINC000436878445 862056773 /nfs/dbraw/zinc/05/67/73/862056773.db2.gz SHIUGJZIMUAQBY-UHFFFAOYSA-N -1 1 410.293 4.154 20 0 HIADMM CCOc1cc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)ccc1OC ZINC000054034172 849803151 /nfs/dbraw/zinc/80/31/51/849803151.db2.gz HRMQBPMNLYMGEZ-UHFFFAOYSA-N -1 1 412.515 4.352 20 0 HIADMM Cc1cccc2c1CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000436883470 862062001 /nfs/dbraw/zinc/06/20/01/862062001.db2.gz GHIAWNDAOQJFMR-QHCPKHFHSA-N -1 1 414.505 4.043 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(C3CCCCC3)no2)c(O)c1)c1cccs1 ZINC000436893182 862069903 /nfs/dbraw/zinc/06/99/03/862069903.db2.gz OGSCKIGXECGIBK-UHFFFAOYSA-N -1 1 405.501 4.352 20 0 HIADMM Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C)cc(Br)c3[O-])c12 ZINC000436896389 862071258 /nfs/dbraw/zinc/07/12/58/862071258.db2.gz YHSORQQCNUPHAW-UHFFFAOYSA-N -1 1 415.291 4.183 20 0 HIADMM CCOc1cc(-c2noc(/C=C\c3ccc(C)nc3)n2)cc(Br)c1[O-] ZINC000436895623 862071500 /nfs/dbraw/zinc/07/15/00/862071500.db2.gz YAYGWEDSTCJXLE-SREVYHEPSA-N -1 1 402.248 4.477 20 0 HIADMM CCCOc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1OCC ZINC000055315163 850000165 /nfs/dbraw/zinc/00/01/65/850000165.db2.gz KFROLNHFNNOHRB-UHFFFAOYSA-N -1 1 411.498 4.315 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)NC(C)C)ccc1OC(C)C ZINC000055614321 850077834 /nfs/dbraw/zinc/07/78/34/850077834.db2.gz ZZCZUQKSIMNBIG-UHFFFAOYSA-N -1 1 405.520 4.113 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)NC(C)C)cc1 ZINC000055614261 850078226 /nfs/dbraw/zinc/07/82/26/850078226.db2.gz SQEPDRVSCOKANT-UHFFFAOYSA-N -1 1 405.520 4.052 20 0 HIADMM CCOc1cc(-c2noc(C(C)(C)c3cccnc3)n2)cc(Br)c1[O-] ZINC000436912597 862089689 /nfs/dbraw/zinc/08/96/89/862089689.db2.gz XOFORROQJHYZPI-UHFFFAOYSA-N -1 1 404.264 4.324 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000055642717 850088804 /nfs/dbraw/zinc/08/88/04/850088804.db2.gz CLOAGAXDPRTAAH-GASCZTMLSA-N -1 1 404.507 4.053 20 0 HIADMM O=C(COc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)Nc1ccccc1 ZINC000055644127 850090224 /nfs/dbraw/zinc/09/02/24/850090224.db2.gz FULASFIXWKVXFR-UHFFFAOYSA-N -1 1 416.886 4.158 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(Cl)ccc1OC(F)F ZINC000436918389 862099169 /nfs/dbraw/zinc/09/91/69/862099169.db2.gz HOGKGFQKAYEFCY-UHFFFAOYSA-N -1 1 415.183 4.338 20 0 HIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(Cl)ccc1OC(F)F ZINC000436918389 862099181 /nfs/dbraw/zinc/09/91/81/862099181.db2.gz HOGKGFQKAYEFCY-UHFFFAOYSA-N -1 1 415.183 4.338 20 0 HIADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000056097901 850243288 /nfs/dbraw/zinc/24/32/88/850243288.db2.gz NHCYMSDZJQHHDM-MRXNPFEDSA-N -1 1 410.326 4.103 20 0 HIADMM CCOc1cc(-c2noc(-c3sccc3COC)n2)cc(Br)c1[O-] ZINC000436927647 862107711 /nfs/dbraw/zinc/10/77/11/862107711.db2.gz QANKINKQACRYMX-UHFFFAOYSA-N -1 1 411.277 4.478 20 0 HIADMM C[C@@H](c1ccco1)N(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000056181505 850275171 /nfs/dbraw/zinc/27/51/71/850275171.db2.gz QUIBAEMJQXJDSP-INIZCTEOSA-N -1 1 410.495 4.446 20 0 HIADMM CCS[C@H](C)c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000436942894 862120229 /nfs/dbraw/zinc/12/02/29/862120229.db2.gz JVTWJZVCBRRDEN-SNVBAGLBSA-N -1 1 411.530 4.119 20 0 HIADMM O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1c([O-])cccc1F ZINC000436943544 862120361 /nfs/dbraw/zinc/12/03/61/862120361.db2.gz MGSRSDHXTGFFHP-UHFFFAOYSA-N -1 1 401.441 4.373 20 0 HIADMM C[C@@H]1COCC[C@@H]1NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436950985 862129074 /nfs/dbraw/zinc/12/90/74/862129074.db2.gz QQYPFQHYWKZQCD-DIFFPNOSSA-N -1 1 423.296 4.106 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1(C)C ZINC000436953836 862133116 /nfs/dbraw/zinc/13/31/16/862133116.db2.gz BYDQUXNRJZMONE-ZDUSSCGKSA-N -1 1 402.441 4.431 20 0 HIADMM COCCCOc1cnc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)cn1 ZINC000436955978 862135735 /nfs/dbraw/zinc/13/57/35/862135735.db2.gz OGPRQBGETZTBDO-UHFFFAOYSA-N -1 1 420.425 4.107 20 0 HIADMM CCn1c(C)cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1C ZINC000056931588 850518618 /nfs/dbraw/zinc/51/86/18/850518618.db2.gz BDPVSMBGXWFACU-UHFFFAOYSA-N -1 1 415.490 4.317 20 0 HIADMM CSCCc1ccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436957864 862138758 /nfs/dbraw/zinc/13/87/58/862138758.db2.gz BJRKOTHODHYQTA-UHFFFAOYSA-N -1 1 411.483 4.099 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)c2cccnc12 ZINC000057120439 850552196 /nfs/dbraw/zinc/55/21/96/850552196.db2.gz MXVBQBUAKNDYSV-UHFFFAOYSA-N -1 1 409.467 4.316 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CCC(=O)N2CCCC2)cc1 ZINC000057125160 850553092 /nfs/dbraw/zinc/55/30/92/850553092.db2.gz ZSVDKLDXFDPXCT-UHFFFAOYSA-N -1 1 406.935 4.004 20 0 HIADMM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000057153215 850562578 /nfs/dbraw/zinc/56/25/78/850562578.db2.gz MTQYHLTYLHOOKE-HXUWFJFHSA-N -1 1 407.510 4.332 20 0 HIADMM CCCCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccc(OC)cc1 ZINC000057501096 850654135 /nfs/dbraw/zinc/65/41/35/850654135.db2.gz MLJAKOXJZDFWGE-UHFFFAOYSA-N -1 1 413.499 4.140 20 0 HIADMM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436976513 862153433 /nfs/dbraw/zinc/15/34/33/862153433.db2.gz BXBUMNKSWJHFOL-ZDUSSCGKSA-N -1 1 416.346 4.384 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccn(C2CCCCC2)n1 ZINC000436977510 862157147 /nfs/dbraw/zinc/15/71/47/862157147.db2.gz DYOQBZRCVDZBGE-UHFFFAOYSA-N -1 1 410.518 4.409 20 0 HIADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436983956 862162339 /nfs/dbraw/zinc/16/23/39/862162339.db2.gz AZVGNLVSJWLXKW-MCIONIFRSA-N -1 1 402.441 4.429 20 0 HIADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)c1cccs1 ZINC000058136362 850771197 /nfs/dbraw/zinc/77/11/97/850771197.db2.gz OTWSZABBKVTZJH-GFCCVEGCSA-N -1 1 422.478 4.318 20 0 HIADMM CCCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000058272152 850790133 /nfs/dbraw/zinc/79/01/33/850790133.db2.gz JUZWEXPCRCPPST-UHFFFAOYSA-N -1 1 418.412 4.041 20 0 HIADMM COCc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000058290238 850793538 /nfs/dbraw/zinc/79/35/38/850793538.db2.gz COOHDDMNLGHZQF-UHFFFAOYSA-N -1 1 414.458 4.025 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 ZINC000058295300 850795085 /nfs/dbraw/zinc/79/50/85/850795085.db2.gz HNPVBRIUMOZCGD-UHFFFAOYSA-N -1 1 401.513 4.106 20 0 HIADMM CC[C@@H](C)Oc1cccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436998511 862171481 /nfs/dbraw/zinc/17/14/81/862171481.db2.gz KDFYFDHNRFSVOD-CYBMUJFWSA-N -1 1 409.442 4.371 20 0 HIADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@@H](C)c1ccccc1 ZINC000436997872 862171678 /nfs/dbraw/zinc/17/16/78/862171678.db2.gz GJLUAXZHCVQQFJ-STSQHVNTSA-N -1 1 416.521 4.458 20 0 HIADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436998784 862172967 /nfs/dbraw/zinc/17/29/67/862172967.db2.gz JTKAJKFFHZYMQX-LLVKDONJSA-N -1 1 410.367 4.088 20 0 HIADMM CCCc1c(NC(=O)c2ccc(OC)cc2[O-])cnn1-c1cc(F)c(OC)cc1F ZINC000437001466 862174888 /nfs/dbraw/zinc/17/48/88/862174888.db2.gz PJCHEFXJHXUDKB-UHFFFAOYSA-N -1 1 417.412 4.078 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NNc2cccc(C(F)(F)F)c2)c1 ZINC000058573516 850860181 /nfs/dbraw/zinc/86/01/81/850860181.db2.gz ACHYBMKAEIFRCD-UHFFFAOYSA-N -1 1 421.448 4.468 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000058573105 850860495 /nfs/dbraw/zinc/86/04/95/850860495.db2.gz CIFFBBBIGMAGJG-UHFFFAOYSA-N -1 1 408.405 4.274 20 0 HIADMM Cn1c(Cc2csc(NC(=O)c3cccc(Cl)c3Cl)n2)n[n-]c1=S ZINC000058679029 850885928 /nfs/dbraw/zinc/88/59/28/850885928.db2.gz XYIHGWWFVMVHKO-UHFFFAOYSA-N -1 1 400.316 4.084 20 0 HIADMM COc1ccc2c(c1)CCN2C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000058904948 850955509 /nfs/dbraw/zinc/95/55/09/850955509.db2.gz PHJQHZGYCNQBBY-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Cl)c1[O-] ZINC000059270879 850990538 /nfs/dbraw/zinc/99/05/38/850990538.db2.gz HNGJBDSQDNVYMX-IZZDOVSWSA-N -1 1 407.651 4.362 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000059855414 851019263 /nfs/dbraw/zinc/01/92/63/851019263.db2.gz BDASSSSUPYZETR-UHFFFAOYSA-N -1 1 411.465 4.065 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(-c3cccs3)[nH]n2)c1 ZINC000059889275 851021723 /nfs/dbraw/zinc/02/17/23/851021723.db2.gz XXOIZDLUPAELLK-UHFFFAOYSA-N -1 1 410.528 4.397 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000060093493 851040071 /nfs/dbraw/zinc/04/00/71/851040071.db2.gz XLUPGCUPUONBDI-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cc[nH]n2)c1 ZINC000060168972 851048125 /nfs/dbraw/zinc/04/81/25/851048125.db2.gz DXGZUOVQUGELEA-UHFFFAOYSA-N -1 1 412.515 4.069 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)cc1 ZINC000060166061 851048547 /nfs/dbraw/zinc/04/85/47/851048547.db2.gz LISFMECARFPLTK-UHFFFAOYSA-N -1 1 416.886 4.317 20 0 HIADMM O=C(CCCOc1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401318 851087928 /nfs/dbraw/zinc/08/79/28/851087928.db2.gz PIPSRDDPHUAQBH-UHFFFAOYSA-N -1 1 410.495 4.285 20 0 HIADMM CC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000060412028 851090392 /nfs/dbraw/zinc/09/03/92/851090392.db2.gz VMIRWIUTEUBKOQ-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM Cc1ccc(NC(=O)COc2c(C)cccc2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412126 851090796 /nfs/dbraw/zinc/09/07/96/851090796.db2.gz WMHYZCVBPBJQAL-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM Cc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1C ZINC000060411950 851091000 /nfs/dbraw/zinc/09/10/00/851091000.db2.gz ACXFKSQUSZEKQE-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM C[C@H]1CCc2c(sc3nc(-c4ccccc4I)[n-]c(=O)c32)C1 ZINC000060486239 851116164 /nfs/dbraw/zinc/11/61/64/851116164.db2.gz XDGDWADCBNCBQT-VIFPVBQESA-N -1 1 422.291 4.381 20 0 HIADMM Cc1ccc(C(=O)Nc2ccccn2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000060796500 851215135 /nfs/dbraw/zinc/21/51/35/851215135.db2.gz CFDHSKBTCYGONH-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CCC(CC)[C@H](CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)OC ZINC000437032540 862218833 /nfs/dbraw/zinc/21/88/33/862218833.db2.gz DCAJTLWJNGGLBE-NRFANRHFSA-N -1 1 418.559 4.059 20 0 HIADMM COc1ccc(CCCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000061399204 851365962 /nfs/dbraw/zinc/36/59/62/851365962.db2.gz DTTBPFBIRVKGCI-UHFFFAOYSA-N -1 1 424.522 4.457 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1cccc2ccccc21 ZINC000062481990 851561307 /nfs/dbraw/zinc/56/13/07/851561307.db2.gz GLPWRSIVDVZMOM-UHFFFAOYSA-N -1 1 411.479 4.031 20 0 HIADMM Cc1cc(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])no1 ZINC000063103905 851616354 /nfs/dbraw/zinc/61/63/54/851616354.db2.gz MWBCAASRJBVYOR-UHFFFAOYSA-N -1 1 420.252 4.178 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000063150516 851623764 /nfs/dbraw/zinc/62/37/64/851623764.db2.gz VFMANBUHULUGME-UHFFFAOYSA-N -1 1 416.543 4.292 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC000063179156 851628332 /nfs/dbraw/zinc/62/83/32/851628332.db2.gz PKAJHIMYQALVPJ-UHFFFAOYSA-N -1 1 423.853 4.137 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000063181281 851629378 /nfs/dbraw/zinc/62/93/78/851629378.db2.gz DNPMZKNAMFKOBG-UHFFFAOYSA-N -1 1 411.867 4.096 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)CC3)cc2)ccc1F ZINC000063273865 851647624 /nfs/dbraw/zinc/64/76/24/851647624.db2.gz SLPMLCXGPSEADE-HNNXBMFYSA-N -1 1 404.507 4.197 20 0 HIADMM C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000063273991 851647892 /nfs/dbraw/zinc/64/78/92/851647892.db2.gz AUYZEHQTJRMTOM-HNNXBMFYSA-N -1 1 406.935 4.403 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H]3C(C)C)c2)cc1F ZINC000063814810 851770548 /nfs/dbraw/zinc/77/05/48/851770548.db2.gz HXRQSYIOMLBMFV-HXUWFJFHSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1n[nH]c(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000063838915 851775263 /nfs/dbraw/zinc/77/52/63/851775263.db2.gz ZEBDTRRWEQJNPK-UHFFFAOYSA-N -1 1 418.906 4.041 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)c2)no1 ZINC000063849853 851777413 /nfs/dbraw/zinc/77/74/13/851777413.db2.gz GMAMMTWIWCHPOO-UHFFFAOYSA-N -1 1 415.805 4.101 20 0 HIADMM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1Cl ZINC000063877726 851783054 /nfs/dbraw/zinc/78/30/54/851783054.db2.gz FYCMPNKNKQDTIQ-UHFFFAOYSA-N -1 1 408.234 4.030 20 0 HIADMM CCCCc1cc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(OCC)cc2)n[nH]1 ZINC000064078707 851824129 /nfs/dbraw/zinc/82/41/29/851824129.db2.gz WGHFZPQPXUXJNS-UHFFFAOYSA-N -1 1 414.535 4.101 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC3CCCC3)c2)c1 ZINC000064088851 851825577 /nfs/dbraw/zinc/82/55/77/851825577.db2.gz DPSPLBXHZHLEFS-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000064317301 851869329 /nfs/dbraw/zinc/86/93/29/851869329.db2.gz NPUSYQWYIWORKK-UHFFFAOYSA-N -1 1 416.481 4.093 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000064316857 851869437 /nfs/dbraw/zinc/86/94/37/851869437.db2.gz HZSBXYMBWBXDTH-UHFFFAOYSA-N -1 1 422.485 4.055 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000064316905 851869663 /nfs/dbraw/zinc/86/96/63/851869663.db2.gz ZLOBARTVMVFRGE-NSHDSACASA-N -1 1 407.301 4.169 20 0 HIADMM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000064479288 851909461 /nfs/dbraw/zinc/90/94/61/851909461.db2.gz HUJZONHCNHHLTD-UHFFFAOYSA-N -1 1 411.479 4.096 20 0 HIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000065078998 852056553 /nfs/dbraw/zinc/05/65/53/852056553.db2.gz RRAFUCFWWRKPMX-UHFFFAOYSA-N -1 1 400.544 4.060 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3ccc(F)cc3)cc2)ccc1F ZINC000065160449 852081389 /nfs/dbraw/zinc/08/13/89/852081389.db2.gz JASJZXKNDKYYSJ-UHFFFAOYSA-N -1 1 416.449 4.351 20 0 HIADMM COc1ccccc1N(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000065160183 852081443 /nfs/dbraw/zinc/08/14/43/852081443.db2.gz LQHGDIRVMDULTR-UHFFFAOYSA-N -1 1 424.522 4.389 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000065874446 852297082 /nfs/dbraw/zinc/29/70/82/852297082.db2.gz WEOURVJUBDRDHD-UHFFFAOYSA-N -1 1 423.538 4.337 20 0 HIADMM O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@@H](c2ccc([O-])c(Cl)c2)N1 ZINC000065888118 852303199 /nfs/dbraw/zinc/30/31/99/852303199.db2.gz JNDWYIHRDFNVOP-QHCPKHFHSA-N -1 1 408.885 4.255 20 0 HIADMM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCS1 ZINC000437153044 862346792 /nfs/dbraw/zinc/34/67/92/862346792.db2.gz UWIMWADIWZKRID-QGZVFWFLSA-N -1 1 424.975 4.108 20 0 HIADMM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCCC1)c1cc(Cl)sc1Cl ZINC000069603538 852398902 /nfs/dbraw/zinc/39/89/02/852398902.db2.gz QBXLINPPEXRHLJ-LLVKDONJSA-N -1 1 409.360 4.153 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCCCCCC1 ZINC000069667214 852399604 /nfs/dbraw/zinc/39/96/04/852399604.db2.gz WAWSMDVZZVABTI-UHFFFAOYSA-N -1 1 404.507 4.341 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(C(F)(F)F)c3)c3cccc1c23 ZINC000071835798 852414876 /nfs/dbraw/zinc/41/48/76/852414876.db2.gz TVWSBNBMQOTCFU-UHFFFAOYSA-N -1 1 410.348 4.364 20 0 HIADMM O=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000072015629 852466508 /nfs/dbraw/zinc/46/65/08/852466508.db2.gz DLOVRNSXBJMYIT-UHFFFAOYSA-N -1 1 423.420 4.099 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c2ccccc12 ZINC000072027140 852472376 /nfs/dbraw/zinc/47/23/76/852472376.db2.gz MJSZZBHAGYWDLU-UHFFFAOYSA-N -1 1 410.495 4.166 20 0 HIADMM CCc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000078515356 852518813 /nfs/dbraw/zinc/51/88/13/852518813.db2.gz UMZGFXCIDZBPMI-UHFFFAOYSA-N -1 1 423.466 4.037 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000096991797 852569048 /nfs/dbraw/zinc/56/90/48/852569048.db2.gz KKKRNHVYAUARBE-AWEZNQCLSA-N -1 1 414.506 4.365 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1 ZINC000097168584 852587882 /nfs/dbraw/zinc/58/78/82/852587882.db2.gz FPVQDJZMEQGWLR-HNNXBMFYSA-N -1 1 416.474 4.361 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cc(C(C)C)[nH]n1 ZINC000097544875 852625318 /nfs/dbraw/zinc/62/53/18/852625318.db2.gz VBRNWEDUZHPNRS-UHFFFAOYSA-N -1 1 416.478 4.034 20 0 HIADMM Cc1cccc(COc2cccc(C(=O)NCCc3n[n-]c(=S)n3C(C)C)c2)c1 ZINC000097552725 852630223 /nfs/dbraw/zinc/63/02/23/852630223.db2.gz BWQNLIBBAWBOAA-UHFFFAOYSA-N -1 1 410.543 4.382 20 0 HIADMM CC(C)n1c(CCNC(=O)CCc2ncc(-c3ccccc3Cl)o2)n[n-]c1=S ZINC000097552775 852630371 /nfs/dbraw/zinc/63/03/71/852630371.db2.gz HRBJIBIGPLVFCT-UHFFFAOYSA-N -1 1 419.938 4.121 20 0 HIADMM CCCCN1C(=O)CC[C@@H](C(=O)[N-]OCc2ccccc2)[C@@H]1c1ccccc1OC ZINC000105181868 852694048 /nfs/dbraw/zinc/69/40/48/852694048.db2.gz XJKUVAGDSRURRP-OFNKIYASSA-N -1 1 410.514 4.023 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000107293889 852771258 /nfs/dbraw/zinc/77/12/58/852771258.db2.gz BPTFCAXUXMYGBU-UHFFFAOYSA-N -1 1 410.211 4.277 20 0 HIADMM CCOc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000108154937 852826101 /nfs/dbraw/zinc/82/61/01/852826101.db2.gz BUMYPIROGBKQDL-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2F)C[C@H](C)O1 ZINC000108439688 852851519 /nfs/dbraw/zinc/85/15/19/852851519.db2.gz DAOLVCMVYXEEFL-RYUDHWBXSA-N -1 1 416.877 4.033 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CCC(F)(F)F)c2)c1 ZINC000108857318 852885962 /nfs/dbraw/zinc/88/59/62/852885962.db2.gz VFIADYDKJBUDHE-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2)n1 ZINC000108964783 852899549 /nfs/dbraw/zinc/89/95/49/852899549.db2.gz ZTXBQGZDQQFPSF-UHFFFAOYSA-N -1 1 413.396 4.448 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3O)cc2)cc1 ZINC000109128064 852925862 /nfs/dbraw/zinc/92/58/62/852925862.db2.gz RNECGDYQGMKNCF-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1nnc(-c2ccsc2)s1 ZINC000110886612 853163360 /nfs/dbraw/zinc/16/33/60/853163360.db2.gz APQZRNZWRPSWGI-UHFFFAOYSA-N -1 1 420.570 4.278 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cc4ccccc4[nH]3)c2)c1 ZINC000116159447 853287878 /nfs/dbraw/zinc/28/78/78/853287878.db2.gz SPHCHAYSDPTEER-UHFFFAOYSA-N -1 1 419.506 4.207 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3[nH]c(-c4cc(F)ccc4F)nc3c2)c1 ZINC000116716665 853327924 /nfs/dbraw/zinc/32/79/24/853327924.db2.gz JJLLJOYGPSXEKH-UHFFFAOYSA-N -1 1 422.391 4.424 20 0 HIADMM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000169326016 853655451 /nfs/dbraw/zinc/65/54/51/853655451.db2.gz DECBQYVPJUVDGX-UHFFFAOYSA-N -1 1 416.296 4.481 20 0 HIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000195627292 853724684 /nfs/dbraw/zinc/72/46/84/853724684.db2.gz MEHYDZABQRAWFA-UHFFFAOYSA-N -1 1 402.372 4.398 20 0 HIADMM O=C(/C=C\c1ccco1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000210193093 853813581 /nfs/dbraw/zinc/81/35/81/853813581.db2.gz BHRPUKHGOBSJSA-YFHOEESVSA-N -1 1 404.394 4.011 20 0 HIADMM O=C(/C=C\c1ccco1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000212959914 853822903 /nfs/dbraw/zinc/82/29/03/853822903.db2.gz SFMOMWGADPZLIN-KHPPLWFESA-N -1 1 402.859 4.386 20 0 HIADMM CCc1cc2c(COC(=O)/C=C\c3nc4ccccc4s3)cc(=O)oc2cc1[O-] ZINC000214116655 853828658 /nfs/dbraw/zinc/82/86/58/853828658.db2.gz IXUAWROBULHFDO-FPLPWBNLSA-N -1 1 407.447 4.427 20 0 HIADMM O=S(=O)([N-]c1cc(F)ccc1Br)c1ccc(Br)s1 ZINC000229583475 853892542 /nfs/dbraw/zinc/89/25/42/853892542.db2.gz NEGICKQJCJJJCD-UHFFFAOYSA-N -1 1 415.103 4.213 20 0 HIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000231657586 853896693 /nfs/dbraw/zinc/89/66/93/853896693.db2.gz VIMGZLPPDLMANK-UHFFFAOYSA-N -1 1 423.101 4.460 20 0 HIADMM C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261369466 854236222 /nfs/dbraw/zinc/23/62/22/854236222.db2.gz YKBZBEUPZWKDFK-CQSZACIVSA-N -1 1 420.431 4.333 20 0 HIADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)N(Cc1ccco1)c1ccccc1 ZINC000261418081 854255170 /nfs/dbraw/zinc/25/51/70/854255170.db2.gz DWMOWYYUBHSTMB-UHFFFAOYSA-N -1 1 409.389 4.120 20 0 HIADMM CC(C)(C)[C@@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1cccs1 ZINC000261421653 854256119 /nfs/dbraw/zinc/25/61/19/854256119.db2.gz HZKDCPRWFWNBKS-ZDUSSCGKSA-N -1 1 405.467 4.258 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H](C)c3ccc(NC(=O)C4CC4)cc3)nc2)[n-]c(=O)c1C ZINC000301334351 854362942 /nfs/dbraw/zinc/36/29/42/854362942.db2.gz CJIMQDLHLBYMDF-HNNXBMFYSA-N -1 1 403.486 4.383 20 0 HIADMM Cc1nc(-c2ccc(NCCNc3ncc(Cl)cc3Cl)nc2)[n-]c(=O)c1C ZINC000301385315 854378778 /nfs/dbraw/zinc/37/87/78/854378778.db2.gz WRJILYVZPVBQQY-UHFFFAOYSA-N -1 1 405.289 4.087 20 0 HIADMM Cc1nc(-c2ccc(N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)nc2)[n-]c(=O)c1C ZINC000301410370 854386399 /nfs/dbraw/zinc/38/63/99/854386399.db2.gz XSRPATAQBSHZLZ-SFHVURJKSA-N -1 1 406.461 4.099 20 0 HIADMM COc1ccc(OC)c([C@H]2CCCN2c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000301505010 854408970 /nfs/dbraw/zinc/40/89/70/854408970.db2.gz GNHRTGKUTWQDBP-LJQANCHMSA-N -1 1 406.486 4.220 20 0 HIADMM COc1ccccc1COC1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000301919505 854493065 /nfs/dbraw/zinc/49/30/65/854493065.db2.gz CBWINKZLIGTWPK-UHFFFAOYSA-N -1 1 420.513 4.055 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)sc1Cl ZINC000302627628 854593411 /nfs/dbraw/zinc/59/34/11/854593411.db2.gz RVEGWFASBZSTKB-UHFFFAOYSA-N -1 1 402.122 4.322 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000302813192 854643842 /nfs/dbraw/zinc/64/38/42/854643842.db2.gz IFIDTPQXVSUFSW-UHFFFAOYSA-N -1 1 408.405 4.453 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCc4occc43)cc2)cc1 ZINC000302952868 854693803 /nfs/dbraw/zinc/69/38/03/854693803.db2.gz MZQSECFUHOHMEN-HXUWFJFHSA-N -1 1 410.495 4.196 20 0 HIADMM O=C([N-]OCc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000302957592 854695648 /nfs/dbraw/zinc/69/56/48/854695648.db2.gz BNMPSXIZHNSOBX-UKILVPOCSA-N -1 1 414.505 4.415 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c(Cl)c1Cl ZINC000437327200 862596571 /nfs/dbraw/zinc/59/65/71/862596571.db2.gz VNAXSEITWZXYQQ-UHFFFAOYSA-N -1 1 416.261 4.128 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC1(C)CCCCC1 ZINC000303023829 854728047 /nfs/dbraw/zinc/72/80/47/854728047.db2.gz RRHCLMVRUQRZCD-UHFFFAOYSA-N -1 1 404.507 4.388 20 0 HIADMM CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccn1 ZINC000303113473 854767003 /nfs/dbraw/zinc/76/70/03/854767003.db2.gz LJTGXDXVQTUELD-NRFANRHFSA-N -1 1 410.495 4.437 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@H]1C1CCC1 ZINC000303187831 854808040 /nfs/dbraw/zinc/80/80/40/854808040.db2.gz LUOGWFFHSSHNTE-FQEVSTJZSA-N -1 1 402.491 4.031 20 0 HIADMM Cc1ccc(NC(=O)c2cccnc2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000303261037 854840185 /nfs/dbraw/zinc/84/01/85/854840185.db2.gz FDOZANWMRQFHDR-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCCCc1c[nH]c2ccccc12 ZINC000303269717 854843533 /nfs/dbraw/zinc/84/35/33/854843533.db2.gz GZLKVCCNCHYSAH-UHFFFAOYSA-N -1 1 411.556 4.290 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000303537703 855023742 /nfs/dbraw/zinc/02/37/42/855023742.db2.gz HFWNXGHUYDUCSP-QHCPKHFHSA-N -1 1 410.539 4.450 20 0 HIADMM CSCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000303657875 855111608 /nfs/dbraw/zinc/11/16/08/855111608.db2.gz AIRNUEYDJVAUJM-HNNXBMFYSA-N -1 1 424.563 4.149 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000303849063 855246248 /nfs/dbraw/zinc/24/62/48/855246248.db2.gz FIDDAFIYEPMYID-SJORKVTESA-N -1 1 416.543 4.147 20 0 HIADMM COC(=O)CCCc1nnc([N-]C(=O)c2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000303856045 855250963 /nfs/dbraw/zinc/25/09/63/855250963.db2.gz VUADWIWNAOWZIJ-UHFFFAOYSA-N -1 1 422.919 4.063 20 0 HIADMM Cc1cc(C)cc(CCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000303870054 855261618 /nfs/dbraw/zinc/26/16/18/855261618.db2.gz QIHPDKCMYONDNT-UHFFFAOYSA-N -1 1 422.550 4.385 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(N3CCCCCC3)c2)c(=O)[n-]1 ZINC000303903573 855278077 /nfs/dbraw/zinc/27/80/77/855278077.db2.gz SVMURPQGRDBMTJ-UHFFFAOYSA-N -1 1 400.548 4.164 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1Cl ZINC000314859126 855376926 /nfs/dbraw/zinc/37/69/26/855376926.db2.gz DIBKGQMGJBIJPY-UHFFFAOYSA-N -1 1 408.676 4.441 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)sc1Br ZINC000316423674 855380016 /nfs/dbraw/zinc/38/00/16/855380016.db2.gz KPBMLDXHYWXPDJ-UHFFFAOYSA-N -1 1 424.725 4.044 20 0 HIADMM Cc1cc(Br)cc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323323639 855395676 /nfs/dbraw/zinc/39/56/76/855395676.db2.gz JUFXYPAFBGPOON-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc([N+](=O)[O-])c1F ZINC000325476577 855403552 /nfs/dbraw/zinc/40/35/52/855403552.db2.gz HAOPJCQQQCMINY-UHFFFAOYSA-N -1 1 417.256 4.222 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2SC(F)(F)F)ccc1Cl ZINC000326905123 855413267 /nfs/dbraw/zinc/41/32/67/855413267.db2.gz MLBXGJFNBOYCQY-UHFFFAOYSA-N -1 1 411.810 4.451 20 0 HIADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000327672183 855419015 /nfs/dbraw/zinc/41/90/15/855419015.db2.gz LSXKXOCXKGLOAE-UHFFFAOYSA-N -1 1 413.826 4.316 20 0 HIADMM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1c(Cl)cccc1C(F)(F)F ZINC000409931480 855730871 /nfs/dbraw/zinc/73/08/71/855730871.db2.gz XKZXKHKDIRAMSH-UHFFFAOYSA-N -1 1 402.825 4.361 20 0 HIADMM COc1ccc(Br)c(CS(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000410334918 855934676 /nfs/dbraw/zinc/93/46/76/855934676.db2.gz YQXMAJBZYQWUDE-UHFFFAOYSA-N -1 1 424.238 4.418 20 0 HIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000410413472 855983622 /nfs/dbraw/zinc/98/36/22/855983622.db2.gz LCCNUSMJGXDVIW-UHFFFAOYSA-N -1 1 413.396 4.354 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)cc(OC(C)C)c2)cc1 ZINC000426005999 856042728 /nfs/dbraw/zinc/04/27/28/856042728.db2.gz DMAVOYXVSBCSTA-UHFFFAOYSA-N -1 1 412.305 4.240 20 0 HIADMM Cc1ccc(NC(=O)c2ncccc2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000426029883 856058064 /nfs/dbraw/zinc/05/80/64/856058064.db2.gz MMNMKNDGSFUYIG-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1[nH]ccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000426059469 856080026 /nfs/dbraw/zinc/08/00/26/856080026.db2.gz FBDRGUMZUXUUDG-UHFFFAOYSA-N -1 1 423.416 4.395 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(Cc2nnc3ccccn32)cc1 ZINC000437403682 862756156 /nfs/dbraw/zinc/75/61/56/862756156.db2.gz ICWPTNKJRCTIDN-UHFFFAOYSA-N -1 1 420.538 4.418 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000426532752 856337467 /nfs/dbraw/zinc/33/74/67/856337467.db2.gz MGQGLFVURMGGCH-OAHLLOKOSA-N -1 1 414.918 4.004 20 0 HIADMM Cc1nc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000426633077 856383999 /nfs/dbraw/zinc/38/39/99/856383999.db2.gz BETUNMVEPNSCNK-UHFFFAOYSA-N -1 1 416.456 4.370 20 0 HIADMM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1ccc(-c2cccc(Br)c2)o1 ZINC000426644199 856389847 /nfs/dbraw/zinc/38/98/47/856389847.db2.gz BZRRDDKCEQSRQN-GOSISDBHSA-N -1 1 416.271 4.200 20 0 HIADMM COc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2cc(C(=O)[O-])co2)cc1 ZINC000426713560 856428202 /nfs/dbraw/zinc/42/82/02/856428202.db2.gz HXGAXLBIPJEBLM-UHFFFAOYSA-N -1 1 417.465 4.188 20 0 HIADMM O=C([O-])[C@H](Cc1cccc(Cl)c1)NCc1csc(COc2ccccc2)n1 ZINC000426734842 856442024 /nfs/dbraw/zinc/44/20/24/856442024.db2.gz RJDBWWBNVSQKJW-SFHVURJKSA-N -1 1 402.903 4.161 20 0 HIADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(OC)ccc2Br)cc1 ZINC000426736553 856444473 /nfs/dbraw/zinc/44/44/73/856444473.db2.gz XZXIYAVFKXWRAD-GOSISDBHSA-N -1 1 408.292 4.162 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1cccc(OC(C)C)c1)C(=O)[O-] ZINC000426749138 856453966 /nfs/dbraw/zinc/45/39/66/856453966.db2.gz CXPGWDIQCHAURO-GOSISDBHSA-N -1 1 408.292 4.160 20 0 HIADMM COc1ccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c(OC)c1OC ZINC000426756194 856460267 /nfs/dbraw/zinc/46/02/67/856460267.db2.gz IOUUERZFPOTKFU-OAHLLOKOSA-N -1 1 414.285 4.325 20 0 HIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C)cc2Br)cc1OC ZINC000426790765 856480473 /nfs/dbraw/zinc/48/04/73/856480473.db2.gz FPVFILCIGWKNGF-MRXNPFEDSA-N -1 1 408.292 4.080 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc(C)c(Br)s2)c1OC ZINC000426796444 856483747 /nfs/dbraw/zinc/48/37/47/856483747.db2.gz CCEXPVTZMOVRHX-ZDUSSCGKSA-N -1 1 414.321 4.142 20 0 HIADMM COc1ccc([C@@H](NCc2cc(Br)c(Cl)s2)C(=O)[O-])cc1F ZINC000426804425 856488160 /nfs/dbraw/zinc/48/81/60/856488160.db2.gz UKUXGTWWKMJRMI-GFCCVEGCSA-N -1 1 408.676 4.227 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Br)cc2C)c1OC ZINC000426808505 856490082 /nfs/dbraw/zinc/49/00/82/856490082.db2.gz RRMUAWAVBPDTKZ-MRXNPFEDSA-N -1 1 408.292 4.080 20 0 HIADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c(Cl)c1OC ZINC000426810477 856491342 /nfs/dbraw/zinc/49/13/42/856491342.db2.gz ZTNIGTLYTFYTSF-OAHLLOKOSA-N -1 1 414.683 4.035 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(Cl)cc3cccnc32)c1OC ZINC000426813727 856493122 /nfs/dbraw/zinc/49/31/22/856493122.db2.gz YZTOUYNKQPSAMR-QGZVFWFLSA-N -1 1 400.862 4.211 20 0 HIADMM O=C([O-])[C@@H](NCc1csc(Br)c1)c1ccc(Br)cc1 ZINC000426813399 856493386 /nfs/dbraw/zinc/49/33/86/856493386.db2.gz WYWGIKHDDYZCNN-LBPRGKRZSA-N -1 1 405.111 4.189 20 0 HIADMM Cn1c(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)nc2cc(Cl)ccc21 ZINC000426825534 856499585 /nfs/dbraw/zinc/49/95/85/856499585.db2.gz AWEVNYIIGZTVJV-AWEZNQCLSA-N -1 1 422.710 4.295 20 0 HIADMM COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)ccc1OCC(F)(F)F ZINC000426827815 856502041 /nfs/dbraw/zinc/50/20/41/856502041.db2.gz XEOIMUSXTMEUKR-HNNXBMFYSA-N -1 1 419.346 4.220 20 0 HIADMM COc1ccc(-c2ccncc2)cc1CN[C@H](CC(=O)[O-])c1cccc(OC)c1OC ZINC000426830617 856503284 /nfs/dbraw/zinc/50/32/84/856503284.db2.gz ZNCZNHFNFWTSAC-HXUWFJFHSA-N -1 1 422.481 4.080 20 0 HIADMM CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000426893399 856530295 /nfs/dbraw/zinc/53/02/95/856530295.db2.gz GVRJQICZUGZXMZ-NSHDSACASA-N -1 1 413.259 4.053 20 0 HIADMM Cc1cnc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)s1 ZINC000427065058 856618040 /nfs/dbraw/zinc/61/80/40/856618040.db2.gz QLDCMECFOWHUDB-HNNXBMFYSA-N -1 1 415.540 4.052 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000427103725 856639092 /nfs/dbraw/zinc/63/90/92/856639092.db2.gz YMOKDBIKQCRSSM-FQEVSTJZSA-N -1 1 408.546 4.447 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H]4CCCC[C@@H]4C3)cc2)cc1C ZINC000427127013 856655147 /nfs/dbraw/zinc/65/51/47/856655147.db2.gz RZCSUSVLQVKOOA-BGYRXZFFSA-N -1 1 412.555 4.366 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(OCc4ccccn4)c3)cc2s1 ZINC000427139649 856665153 /nfs/dbraw/zinc/66/51/53/856665153.db2.gz ITEUAGRJKDGSIP-UHFFFAOYSA-N -1 1 411.508 4.380 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccnc(Sc4ccccn4)c3)cc2s1 ZINC000427210980 856714912 /nfs/dbraw/zinc/71/49/12/856714912.db2.gz JOUYHNDDZNZYIO-UHFFFAOYSA-N -1 1 414.537 4.347 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(N(C)C)cc3C(F)(F)F)cc2s1 ZINC000427772761 856948109 /nfs/dbraw/zinc/94/81/09/856948109.db2.gz GPCCWUQIVNUJHK-UHFFFAOYSA-N -1 1 415.462 4.490 20 0 HIADMM CCOc1cc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc(Cl)c1[O-] ZINC000427790621 856955560 /nfs/dbraw/zinc/95/55/60/856955560.db2.gz ASHLBZICQYCGJT-UHFFFAOYSA-N -1 1 407.869 4.405 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCS[C@H](C)CC3)cc2)c1C ZINC000427913588 857004308 /nfs/dbraw/zinc/00/43/08/857004308.db2.gz JNGHLAVYQYRBBS-MRXNPFEDSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCS[C@@H](C)CC3)ccc2C)c1 ZINC000427916545 857005499 /nfs/dbraw/zinc/00/54/99/857005499.db2.gz SKMIXGPVAKEQSP-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC000428027763 857048092 /nfs/dbraw/zinc/04/80/92/857048092.db2.gz BOWRNXLNCQPPQO-UHFFFAOYSA-N -1 1 410.449 4.045 20 0 HIADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000428036297 857051489 /nfs/dbraw/zinc/05/14/89/857051489.db2.gz RBRPFCNLLMXGSN-UHFFFAOYSA-N -1 1 419.416 4.130 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)[C@H]1CC1(C)C ZINC000428088603 857068443 /nfs/dbraw/zinc/06/84/43/857068443.db2.gz RXZFSDFTCPONTP-KRWDZBQOSA-N -1 1 410.898 4.150 20 0 HIADMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)cc1 ZINC000428317855 857149842 /nfs/dbraw/zinc/14/98/42/857149842.db2.gz DQJNKQSCHVMGLJ-UTKZUKDTSA-N -1 1 416.525 4.198 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000428388167 857187011 /nfs/dbraw/zinc/18/70/11/857187011.db2.gz MAWDUUHKRBDKGA-AWEZNQCLSA-N -1 1 414.575 4.143 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000428525267 857239241 /nfs/dbraw/zinc/23/92/41/857239241.db2.gz YVYOJUXCXGINBM-LIRRHRJNSA-N -1 1 404.919 4.155 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)n1 ZINC000428697405 857300793 /nfs/dbraw/zinc/30/07/93/857300793.db2.gz ADBKZPRCSNRTJU-GOSISDBHSA-N -1 1 422.510 4.116 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(F)c(F)c1F ZINC000429091381 857505476 /nfs/dbraw/zinc/50/54/76/857505476.db2.gz FEJKRFPBXOOLDA-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM Cc1ccc(NC(=O)Cc2cncs2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000437644021 862973207 /nfs/dbraw/zinc/97/32/07/862973207.db2.gz DLMIDZDTWIMOPM-UHFFFAOYSA-N -1 1 421.931 4.087 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000430343821 858128118 /nfs/dbraw/zinc/12/81/18/858128118.db2.gz KBUVKEOOQDTQBX-UHFFFAOYSA-N -1 1 420.435 4.463 20 0 HIADMM O=C(Nc1ccc2c[nH]nc2c1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430438572 858164028 /nfs/dbraw/zinc/16/40/28/858164028.db2.gz HYQMAFDTEKNPND-UHFFFAOYSA-N -1 1 417.650 4.073 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)[C@H]2CC[C@@H](C)C2)c1 ZINC000430451934 858172012 /nfs/dbraw/zinc/17/20/12/858172012.db2.gz FHWCJZVTULTAIY-QAPCUYQASA-N -1 1 400.544 4.365 20 0 HIADMM C[C@H]1CC[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000430455520 858173877 /nfs/dbraw/zinc/17/38/77/858173877.db2.gz MDXFVWQUBNSRPX-BBRMVZONSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H]3CC[C@H](C)C3)cc2)c1 ZINC000430460822 858177388 /nfs/dbraw/zinc/17/73/88/858177388.db2.gz WTVDZCZDDORXDX-YWZLYKJASA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)cc2)ccc1F ZINC000430470718 858183472 /nfs/dbraw/zinc/18/34/72/858183472.db2.gz IHLGQELOGHIWBS-KDOFPFPSSA-N -1 1 404.507 4.196 20 0 HIADMM COc1ccc(NC(=O)N[C@H](c2ccccc2C)C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000431182140 858492070 /nfs/dbraw/zinc/49/20/70/858492070.db2.gz MHXPEVSZKRWILZ-LJQANCHMSA-N -1 1 419.547 4.284 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000431275930 858543277 /nfs/dbraw/zinc/54/32/77/858543277.db2.gz OCKBJYOEWIGPAG-SJORKVTESA-N -1 1 420.918 4.134 20 0 HIADMM O=S(=O)([N-]CCc1nc(-c2ccncc2)cs1)c1cc(Cl)sc1Cl ZINC000431283212 858546205 /nfs/dbraw/zinc/54/62/05/858546205.db2.gz OGOGFEOYNCOVJP-UHFFFAOYSA-N -1 1 420.368 4.094 20 0 HIADMM CCC[C@H]1C[C@H](C(=O)Nc2cc([O-])c(Br)cc2Br)CCO1 ZINC000431448647 858621826 /nfs/dbraw/zinc/62/18/26/858621826.db2.gz ZCHUGSNJDLAVDV-ZJUUUORDSA-N -1 1 421.129 4.451 20 0 HIADMM COc1ccc(F)cc1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431448729 858621856 /nfs/dbraw/zinc/62/18/56/858621856.db2.gz ZMSUUBWZXUALFM-UHFFFAOYSA-N -1 1 419.044 4.317 20 0 HIADMM COCc1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)cc1 ZINC000431449791 858621865 /nfs/dbraw/zinc/62/18/65/858621865.db2.gz RITDDGDIVONMLV-UHFFFAOYSA-N -1 1 415.081 4.316 20 0 HIADMM Cc1ccc(O)c(C(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC000431448817 858621950 /nfs/dbraw/zinc/62/19/50/858621950.db2.gz XODDHNFCGJNUMK-UHFFFAOYSA-N -1 1 401.054 4.184 20 0 HIADMM O=S(=O)([N-]Cc1ccc(-c2cccnc2)cc1)c1sccc1Br ZINC000437726067 863055623 /nfs/dbraw/zinc/05/56/23/863055623.db2.gz WFEGSPDMWDBWJM-UHFFFAOYSA-N -1 1 409.330 4.051 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c(Cl)cncc1Cl ZINC000431673049 858730086 /nfs/dbraw/zinc/73/00/86/858730086.db2.gz KNXBRTSELCWLTL-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM CC(C)(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(F)(F)F ZINC000432068997 858966001 /nfs/dbraw/zinc/96/60/01/858966001.db2.gz IHMXJLDLDNSXCR-UHFFFAOYSA-N -1 1 401.406 4.099 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccc3SC3CCCC3)ccc2[nH]1 ZINC000432193737 859040993 /nfs/dbraw/zinc/04/09/93/859040993.db2.gz AMFBCCDWCMDCBX-UHFFFAOYSA-N -1 1 400.525 4.364 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2noc(C3CC3)n2)c1)c1cccc(C(F)(F)F)c1 ZINC000432481688 859185581 /nfs/dbraw/zinc/18/55/81/859185581.db2.gz XKOWYHWPIWRXLJ-UHFFFAOYSA-N -1 1 409.389 4.434 20 0 HIADMM COc1ccc(F)c(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)c1OC ZINC000432626207 859260398 /nfs/dbraw/zinc/26/03/98/859260398.db2.gz HAJIJMMXOGGBFE-CQSZACIVSA-N -1 1 413.474 4.415 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC3(CCC3)C[C@H]2C)cc1 ZINC000432623942 859260505 /nfs/dbraw/zinc/26/05/05/859260505.db2.gz SRIQKVWUNDDEHS-MRXNPFEDSA-N -1 1 416.518 4.340 20 0 HIADMM COC(=O)c1c[n-]c(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)n1 ZINC000432658221 859276802 /nfs/dbraw/zinc/27/68/02/859276802.db2.gz MUWBOQVXKGISKD-MRVPVSSYSA-N -1 1 418.525 4.488 20 0 HIADMM Cc1cc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)n2)ccn1 ZINC000432678680 859287926 /nfs/dbraw/zinc/28/79/26/859287926.db2.gz HGXQOZPKBURLKC-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c(=O)[n-]1 ZINC000432688046 859295123 /nfs/dbraw/zinc/29/51/23/859295123.db2.gz YJMHBJLTHQFUMI-UHFFFAOYSA-N -1 1 419.510 4.123 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1Cl ZINC000432765316 859345559 /nfs/dbraw/zinc/34/55/59/859345559.db2.gz BBKMYHNWWLYPRK-UHFFFAOYSA-N -1 1 418.906 4.120 20 0 HIADMM CCC(CC)n1nccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000432816916 859372927 /nfs/dbraw/zinc/37/29/27/859372927.db2.gz BYFIHESXWWSNSG-UHFFFAOYSA-N -1 1 412.515 4.297 20 0 HIADMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1nc2cc(Cl)cc(Cl)c2o1 ZINC000432843305 859383654 /nfs/dbraw/zinc/38/36/54/859383654.db2.gz ZSGWIHUARDAUBY-NSHDSACASA-N -1 1 415.302 4.051 20 0 HIADMM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000433370023 859661805 /nfs/dbraw/zinc/66/18/05/859661805.db2.gz BUEKVWLNBAYGGG-NRFANRHFSA-N -1 1 424.570 4.056 20 0 HIADMM CC(C)(C)Nc1ccccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000467654193 881449030 /nfs/dbraw/zinc/44/90/30/881449030.db2.gz ZQXMMHYTPUCCLI-UHFFFAOYSA-N -1 1 410.255 4.460 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000433405895 859681818 /nfs/dbraw/zinc/68/18/18/859681818.db2.gz JUJNEBHYPNJDPP-NRFANRHFSA-N -1 1 424.570 4.002 20 0 HIADMM CSC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CCC1 ZINC000433695538 859840966 /nfs/dbraw/zinc/84/09/66/859840966.db2.gz XSMJYHFJJLTYRO-UHFFFAOYSA-N -1 1 418.584 4.120 20 0 HIADMM O=C(Cc1cc(Cl)ccc1Br)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000433832807 859919705 /nfs/dbraw/zinc/91/97/05/859919705.db2.gz VGLALIFDRYIYKU-UHFFFAOYSA-N -1 1 406.667 4.379 20 0 HIADMM CSc1ccc([C@H](C)NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000467719728 881517565 /nfs/dbraw/zinc/51/75/65/881517565.db2.gz FEGAVWZSGQPOCC-AWEZNQCLSA-N -1 1 408.527 4.085 20 0 HIADMM CCC[C@H](NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000434778910 860492500 /nfs/dbraw/zinc/49/25/00/860492500.db2.gz SMUBSZLIDFGJFC-HKUYNNGSSA-N -1 1 415.950 4.333 20 0 HIADMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(OCC(F)F)c4ccccc43)ccc21 ZINC000435188525 860686717 /nfs/dbraw/zinc/68/67/17/860686717.db2.gz ODGBFRYILUPOEM-UHFFFAOYSA-N -1 1 417.437 4.171 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c1 ZINC000467757477 881573342 /nfs/dbraw/zinc/57/33/42/881573342.db2.gz XUGWPHHGLVKYOH-UHFFFAOYSA-N -1 1 407.797 4.255 20 0 HIADMM O=S(=O)([N-]Cc1coc(-c2cccs2)n1)c1c(Cl)cc(F)cc1Cl ZINC000435435056 860797863 /nfs/dbraw/zinc/79/78/63/860797863.db2.gz WEXGHPHODMPFPT-UHFFFAOYSA-N -1 1 407.275 4.328 20 0 HIADMM C[C@@H]1[C@@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@H]1c1ccccc1 ZINC000435525386 860841181 /nfs/dbraw/zinc/84/11/81/860841181.db2.gz DFGKBPPUXZCZIM-KNXBSLHKSA-N -1 1 406.507 4.476 20 0 HIADMM Cc1ccc2c(NCc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccnc2n1 ZINC000435578040 860895168 /nfs/dbraw/zinc/89/51/68/860895168.db2.gz WIFPWBLGEPEGEB-UHFFFAOYSA-N -1 1 422.485 4.490 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000435719901 861004840 /nfs/dbraw/zinc/00/48/40/861004840.db2.gz RQNFTDMOCRQXDD-UHFFFAOYSA-N -1 1 423.359 4.180 20 0 HIADMM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1c(Cl)cc(Cl)cc1Cl ZINC000467796146 881618908 /nfs/dbraw/zinc/61/89/08/881618908.db2.gz FSCYIDOCIASMRB-UONOGXRCSA-N -1 1 408.738 4.306 20 0 HIADMM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1c(Cl)cccc1C(F)(F)F ZINC000467793986 881619574 /nfs/dbraw/zinc/61/95/74/881619574.db2.gz CSEXGRXOQUJBEN-UONOGXRCSA-N -1 1 407.845 4.018 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)c1ccncc1F ZINC000438050330 863416830 /nfs/dbraw/zinc/41/68/30/863416830.db2.gz DRPXVUAVNZYQCD-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)[C@@H]1C[C@@H]1C1CC1 ZINC000438066649 863445070 /nfs/dbraw/zinc/44/50/70/863445070.db2.gz RFNZYKALZGUQLO-HZPDHXFCSA-N -1 1 408.882 4.265 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000438233439 863677347 /nfs/dbraw/zinc/67/73/47/863677347.db2.gz ILYLDRZCXSZCNH-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc2nnc(C(C)C)n2c1 ZINC000438249670 863712567 /nfs/dbraw/zinc/71/25/67/863712567.db2.gz JHGROGPTYYSLJA-UHFFFAOYSA-N -1 1 423.336 4.033 20 0 HIADMM CCC1(CNC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000438264278 863730358 /nfs/dbraw/zinc/73/03/58/863730358.db2.gz XTBWTMJBIWRATF-UHFFFAOYSA-N -1 1 415.559 4.209 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000438465987 863887358 /nfs/dbraw/zinc/88/73/58/863887358.db2.gz MDSSYKMVWNJVOT-JTAQYXEDSA-N -1 1 414.505 4.212 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1(Cc2ccccc2)CC1 ZINC000438478632 863896361 /nfs/dbraw/zinc/89/63/61/863896361.db2.gz NFXSBMQBHRQTJN-UHFFFAOYSA-N -1 1 406.507 4.449 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(Cl)c3)cc2)c[nH]1 ZINC000438756509 864249171 /nfs/dbraw/zinc/24/91/71/864249171.db2.gz VIDUSOWVSGNGHL-UHFFFAOYSA-N -1 1 406.847 4.048 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(O)c3)cc2)cc1C ZINC000438759779 864254260 /nfs/dbraw/zinc/25/42/60/864254260.db2.gz IZIXHMLSBSDRDQ-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438763959 864259135 /nfs/dbraw/zinc/25/91/35/864259135.db2.gz COLSFJCUUOYHGB-UHFFFAOYSA-N -1 1 423.101 4.460 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000438769134 864263838 /nfs/dbraw/zinc/26/38/38/864263838.db2.gz GLUGQCRCLRTLEK-UHFFFAOYSA-N -1 1 401.341 4.004 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1OC(F)F ZINC000438775922 864271056 /nfs/dbraw/zinc/27/10/56/864271056.db2.gz UQYKYUNFHDENSF-UHFFFAOYSA-N -1 1 410.211 4.299 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(C)c1 ZINC000438794532 864286022 /nfs/dbraw/zinc/28/60/22/864286022.db2.gz IHLBEOXUTZHGNX-INIZCTEOSA-N -1 1 416.543 4.163 20 0 HIADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000438796101 864288494 /nfs/dbraw/zinc/28/84/94/864288494.db2.gz WXCXUXQIVUISEW-UHFFFAOYSA-N -1 1 417.556 4.096 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)ccc1Cl ZINC000438811415 864302454 /nfs/dbraw/zinc/30/24/54/864302454.db2.gz ZEQBVMJZWDJTEZ-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1 ZINC000438814922 864306917 /nfs/dbraw/zinc/30/69/17/864306917.db2.gz ORBOEZRJSBVAEB-UHFFFAOYSA-N -1 1 402.285 4.314 20 0 HIADMM COc1ccc(-c2cc3[n-]c(-c4ccc5c(c4)CCC(=O)N5)nc(=O)c3s2)cc1 ZINC000439152932 864584642 /nfs/dbraw/zinc/58/46/42/864584642.db2.gz NSMQUOVOLBCZGZ-UHFFFAOYSA-N -1 1 403.463 4.212 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1 ZINC000439797533 865117521 /nfs/dbraw/zinc/11/75/21/865117521.db2.gz ANBHTSXMXHYTEV-ZBFHGGJFSA-N -1 1 404.507 4.196 20 0 HIADMM COc1ccc(C[C@@H]2CCCN(C(=O)c3cc(Br)ccc3[O-])C2)cc1 ZINC000439965486 865257409 /nfs/dbraw/zinc/25/74/09/865257409.db2.gz QAIRRIMQAKCEIH-HNNXBMFYSA-N -1 1 404.304 4.258 20 0 HIADMM C[C@H]1CC[C@@H](CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)O1 ZINC000440367382 865648766 /nfs/dbraw/zinc/64/87/66/865648766.db2.gz OJTWIZKILYSZKC-KSSFIOAISA-N -1 1 422.934 4.427 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1C[C@]12CCc1ccccc12 ZINC000440368322 865651842 /nfs/dbraw/zinc/65/18/42/865651842.db2.gz SCLMQVOVIZNUJF-VWNXMTODSA-N -1 1 418.518 4.330 20 0 HIADMM COCc1nc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c(-c2ccccc2)s1 ZINC000440685704 865865262 /nfs/dbraw/zinc/86/52/62/865865262.db2.gz YDWXZYFHUOKZGY-UHFFFAOYSA-N -1 1 409.496 4.122 20 0 HIADMM CCOc1cc(-c2noc([C@H]3OCCc4ccccc43)n2)cc(Br)c1[O-] ZINC000441307125 866378666 /nfs/dbraw/zinc/37/86/66/866378666.db2.gz DLNSVLALKOOOMK-KRWDZBQOSA-N -1 1 417.259 4.266 20 0 HIADMM COc1ccc2occ(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)c2c1 ZINC000442288542 867308318 /nfs/dbraw/zinc/30/83/18/867308318.db2.gz DIDJSBBHQXEMGX-UHFFFAOYSA-N -1 1 422.462 4.495 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1C ZINC000442345433 867338312 /nfs/dbraw/zinc/33/83/12/867338312.db2.gz BWAQOMULWPFECU-UHFFFAOYSA-N -1 1 418.559 4.203 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000442762372 867667177 /nfs/dbraw/zinc/66/71/77/867667177.db2.gz QQBYIVDFVBLVLU-MRVPVSSYSA-N -1 1 419.372 4.005 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4ccoc4c3)c2)cc1 ZINC000442928671 867746189 /nfs/dbraw/zinc/74/61/89/867746189.db2.gz BDVFWTHGRWQHOM-UHFFFAOYSA-N -1 1 422.462 4.495 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)cc(Cl)c1[O-] ZINC000442933162 867749611 /nfs/dbraw/zinc/74/96/11/867749611.db2.gz IURBEHQMOTXUDR-UHFFFAOYSA-N -1 1 418.877 4.075 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)cc(Cl)c1[O-] ZINC000443047535 867802216 /nfs/dbraw/zinc/80/22/16/867802216.db2.gz IIHFDRMCWHWXSM-VIFPVBQESA-N -1 1 416.674 4.317 20 0 HIADMM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cc2)n1 ZINC000443121542 867830199 /nfs/dbraw/zinc/83/01/99/867830199.db2.gz XHCQKDHUGJOGCQ-OAHLLOKOSA-N -1 1 407.518 4.082 20 0 HIADMM COc1ccc(Cc2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)c(Cl)c1OC ZINC000443201333 867873060 /nfs/dbraw/zinc/87/30/60/867873060.db2.gz IFPZXSAJYUPQCI-UHFFFAOYSA-N -1 1 411.241 4.366 20 0 HIADMM COc1cc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)cc(Cl)c1[O-] ZINC000443214464 867878658 /nfs/dbraw/zinc/87/86/58/867878658.db2.gz LBPFJFVGTMXRTO-UHFFFAOYSA-N -1 1 406.776 4.440 20 0 HIADMM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1c(Cl)cc(Cl)cc1Cl ZINC000443236952 867885728 /nfs/dbraw/zinc/88/57/28/867885728.db2.gz HMDIUFCYGLOUHB-OAHLLOKOSA-N -1 1 408.734 4.439 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)c1 ZINC000443400799 867958881 /nfs/dbraw/zinc/95/88/81/867958881.db2.gz RRUNXDIKTOEXKT-UHFFFAOYSA-N -1 1 400.456 4.040 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 ZINC000443402012 867962626 /nfs/dbraw/zinc/96/26/26/867962626.db2.gz WLDVFNXGIUDLOQ-UHFFFAOYSA-N -1 1 416.543 4.067 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@@H]1CC1(C)C ZINC000443404987 867984814 /nfs/dbraw/zinc/98/48/14/867984814.db2.gz HSBNIOZELDCWCH-HNNXBMFYSA-N -1 1 408.907 4.134 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(CC)C(C)C)c2)c1 ZINC000443405162 867985114 /nfs/dbraw/zinc/98/51/14/867985114.db2.gz ISWLDEQVYICNAH-UHFFFAOYSA-N -1 1 424.950 4.410 20 0 HIADMM CC[C@@]1(C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000468241705 882140969 /nfs/dbraw/zinc/14/09/69/882140969.db2.gz SSEKFEWDFLGAJC-FQEVSTJZSA-N -1 1 408.470 4.028 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n(-c2ccncc2)n1 ZINC000443413360 867997710 /nfs/dbraw/zinc/99/77/10/867997710.db2.gz BZXIPEWCXVAIHT-UHFFFAOYSA-N -1 1 416.812 4.049 20 0 HIADMM CCn1cc(S(=O)(=O)Nc2ccccc2N[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000443529762 868086552 /nfs/dbraw/zinc/08/65/52/868086552.db2.gz HMMVJSRMKYOOEU-OAHLLOKOSA-N -1 1 413.499 4.180 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2O)ccc1OCCCC(=O)[O-] ZINC000443529275 868087482 /nfs/dbraw/zinc/08/74/82/868087482.db2.gz LKKVLNPWPHWESN-UHFFFAOYSA-N -1 1 421.515 4.043 20 0 HIADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N[C@H](C)c2ccccc2)cc1 ZINC000443532777 868091031 /nfs/dbraw/zinc/09/10/31/868091031.db2.gz ULAFMMNPTQFONN-MRXNPFEDSA-N -1 1 409.511 4.020 20 0 HIADMM CC1(C)CCC[C@@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000443550685 868106984 /nfs/dbraw/zinc/10/69/84/868106984.db2.gz JMNZXKKAHRXLLB-GOSISDBHSA-N -1 1 415.559 4.255 20 0 HIADMM C[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000443554022 868109213 /nfs/dbraw/zinc/10/92/13/868109213.db2.gz SDCCEPGRNSWFRN-IEBWSBKVSA-N -1 1 415.559 4.255 20 0 HIADMM CC[C@]1(C)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)C1 ZINC000468249196 882155184 /nfs/dbraw/zinc/15/51/84/882155184.db2.gz DFOUEUDDZWNZMU-JOCHJYFZSA-N -1 1 400.544 4.366 20 0 HIADMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccccc3SC)n2)cc1 ZINC000444081114 868607008 /nfs/dbraw/zinc/60/70/08/868607008.db2.gz CVXBUEPDEKEBFA-ZDUSSCGKSA-N -1 1 403.529 4.060 20 0 HIADMM Cc1ncc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)s1 ZINC000444218763 868671600 /nfs/dbraw/zinc/67/16/00/868671600.db2.gz VRPRFGJAORHKMZ-NSHDSACASA-N -1 1 418.384 4.442 20 0 HIADMM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC000444355441 868781757 /nfs/dbraw/zinc/78/17/57/868781757.db2.gz ZNXJSQCYQBVBFW-MRXNPFEDSA-N -1 1 424.497 4.063 20 0 HIADMM CN(CC1(c2ccccc2)CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000444359495 868785202 /nfs/dbraw/zinc/78/52/02/868785202.db2.gz BSZPQQXPJMOEBO-UHFFFAOYSA-N -1 1 420.534 4.291 20 0 HIADMM O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444378686 868800761 /nfs/dbraw/zinc/80/07/61/868800761.db2.gz KABIJEHDPDGFMV-JOCHJYFZSA-N -1 1 408.498 4.097 20 0 HIADMM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444378687 868801187 /nfs/dbraw/zinc/80/11/87/868801187.db2.gz KABIJEHDPDGFMV-QFIPXVFZSA-N -1 1 408.498 4.097 20 0 HIADMM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000444401830 868812440 /nfs/dbraw/zinc/81/24/40/868812440.db2.gz ANHVYZHKAUURKG-PIGZYNQJSA-N -1 1 410.695 4.410 20 0 HIADMM COc1cc(-c2nc(CC(=O)Nc3ccc(F)c(Cl)c3)no2)cc(Cl)c1[O-] ZINC000445375916 869453060 /nfs/dbraw/zinc/45/30/60/869453060.db2.gz PVIMSXIIMFVOGK-UHFFFAOYSA-N -1 1 412.204 4.078 20 0 HIADMM COc1cc(-c2noc(C[C@H]3CCO[C@H](C(C)C)C3)n2)cc(Br)c1[O-] ZINC000445388720 869474080 /nfs/dbraw/zinc/47/40/80/869474080.db2.gz DIMKNVFYOALTAC-FZMZJTMJSA-N -1 1 411.296 4.207 20 0 HIADMM COc1ccc(O[C@@H](C)c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000445391530 869477069 /nfs/dbraw/zinc/47/70/69/869477069.db2.gz KOVIFMULOZLPLW-JTQLQIEISA-N -1 1 421.247 4.362 20 0 HIADMM COc1cc(-c2noc(COC/C=C\c3ccccc3)n2)cc(Br)c1[O-] ZINC000445391167 869477262 /nfs/dbraw/zinc/47/72/62/869477262.db2.gz JKNHXQLMQUZFLE-YVMONPNESA-N -1 1 417.259 4.443 20 0 HIADMM COc1ccc(O[C@H](C)c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000445391531 869477401 /nfs/dbraw/zinc/47/74/01/869477401.db2.gz KOVIFMULOZLPLW-SNVBAGLBSA-N -1 1 421.247 4.362 20 0 HIADMM COc1cc(-c2noc(-c3cc(-c4ccccc4)[nH]n3)n2)cc(Br)c1[O-] ZINC000445393672 869478507 /nfs/dbraw/zinc/47/85/07/869478507.db2.gz QUAGGVBAVDIIAA-UHFFFAOYSA-N -1 1 413.231 4.270 20 0 HIADMM COc1ccccc1/C=C/c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445396033 869481425 /nfs/dbraw/zinc/48/14/25/869481425.db2.gz ZFGFNEDNCHKWTA-BQYQJAHWSA-N -1 1 403.232 4.392 20 0 HIADMM COc1cc(-c2noc(COc3ccc(C)c(C)c3)n2)cc(Br)c1[O-] ZINC000445397010 869482791 /nfs/dbraw/zinc/48/27/91/869482791.db2.gz BRAUHRSFRACWEV-UHFFFAOYSA-N -1 1 405.248 4.409 20 0 HIADMM COc1cc(-c2noc(CCCOc3ccccc3)n2)cc(Br)c1[O-] ZINC000445397962 869482991 /nfs/dbraw/zinc/48/29/91/869482991.db2.gz ODQGEWBQCUSJMQ-UHFFFAOYSA-N -1 1 405.248 4.225 20 0 HIADMM COc1cc(-c2noc(C[C@H](C)c3c(C)noc3C)n2)cc(Br)c1[O-] ZINC000445398263 869484521 /nfs/dbraw/zinc/48/45/21/869484521.db2.gz RTBDDOJFBZYERO-QMMMGPOBSA-N -1 1 408.252 4.164 20 0 HIADMM COc1cc(-c2noc(CCCOCc3ccccc3)n2)cc(Br)c1[O-] ZINC000445398851 869484705 /nfs/dbraw/zinc/48/47/05/869484705.db2.gz ZQMYVCUJPSCAJX-UHFFFAOYSA-N -1 1 419.275 4.363 20 0 HIADMM Cc1cc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)nc2ccccc12 ZINC000445404346 869489533 /nfs/dbraw/zinc/48/95/33/869489533.db2.gz RHJYZCOPTJYIRC-UHFFFAOYSA-N -1 1 410.437 4.050 20 0 HIADMM CCOc1cc(-c2noc(CNC(=O)CCc3ccc(C)cc3)n2)cc(Cl)c1[O-] ZINC000445412959 869495725 /nfs/dbraw/zinc/49/57/25/869495725.db2.gz PGUFQXWAJOQZIF-UHFFFAOYSA-N -1 1 415.877 4.052 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc(C(=O)N(C)CC)c3)n2)cc(Cl)c1[O-] ZINC000445412195 869495764 /nfs/dbraw/zinc/49/57/64/869495764.db2.gz RMWHQOHRYNWKAZ-UHFFFAOYSA-N -1 1 401.850 4.253 20 0 HIADMM CCOc1cc(-c2noc(CCc3nnc(-c4ccccc4)o3)n2)cc(Cl)c1[O-] ZINC000445417030 869499391 /nfs/dbraw/zinc/49/93/91/869499391.db2.gz IVVPCTMSBQRDGD-UHFFFAOYSA-N -1 1 412.833 4.330 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CN(Cc4ccccc4)CCO3)n2)cc(Cl)c1[O-] ZINC000445430228 869514237 /nfs/dbraw/zinc/51/42/37/869514237.db2.gz IMCJMXYULBMYRJ-GOSISDBHSA-N -1 1 415.877 4.068 20 0 HIADMM O=c1[nH]c2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)ccc2n1CC(F)(F)F ZINC000445450336 869529844 /nfs/dbraw/zinc/52/98/44/869529844.db2.gz RZXZXNHUZWBGKU-UHFFFAOYSA-N -1 1 410.739 4.380 20 0 HIADMM COc1ccc(Br)cc1C(=O)CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445455447 869533598 /nfs/dbraw/zinc/53/35/98/869533598.db2.gz KJZKCKLZYHPIAN-UHFFFAOYSA-N -1 1 421.222 4.168 20 0 HIADMM CCOc1c(Br)cc(-c2nc(-c3ccc([O-])cc3F)no2)cc1OC ZINC000445455028 869533769 /nfs/dbraw/zinc/53/37/69/869533769.db2.gz ISXJXKVXWZIADV-UHFFFAOYSA-N -1 1 409.211 4.418 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccoc4)no3)cc2)cc1 ZINC000445457347 869534848 /nfs/dbraw/zinc/53/48/48/869534848.db2.gz YGCNKLVKNGQXOS-UHFFFAOYSA-N -1 1 411.439 4.196 20 0 HIADMM [O-]c1ccc(-c2noc(-c3cc(F)c(F)cc3I)n2)c(F)c1 ZINC000445460937 869537313 /nfs/dbraw/zinc/53/73/13/869537313.db2.gz UQEPNVYOJILCLG-UHFFFAOYSA-N -1 1 418.112 4.131 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(-c2nc(-c3cncs3)no2)cc1 ZINC000445584549 869645213 /nfs/dbraw/zinc/64/52/13/869645213.db2.gz SWWJHKGXXRYBJI-UHFFFAOYSA-N -1 1 416.459 4.108 20 0 HIADMM Cc1ocnc1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000445810185 869835165 /nfs/dbraw/zinc/83/51/65/869835165.db2.gz YQGHRAPYNRVLGB-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000445841117 869855042 /nfs/dbraw/zinc/85/50/42/869855042.db2.gz DCTOQXWCBDHLFP-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM Cc1ccc(NC(=O)c2cccnc2NC(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000468412557 882356136 /nfs/dbraw/zinc/35/61/36/882356136.db2.gz UQBHLWWATMTLHK-UHFFFAOYSA-N -1 1 424.526 4.263 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2ccc(C)cc2OCCC(C)C)c(=O)[n-]1 ZINC000446376120 870286068 /nfs/dbraw/zinc/28/60/68/870286068.db2.gz DVSDJVBRAZQZNM-UHFFFAOYSA-N -1 1 417.575 4.195 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](C(C)C)C3)cc2)cc1C ZINC000446516066 870434746 /nfs/dbraw/zinc/43/47/46/870434746.db2.gz WHFNKYPLJAZMRK-IBGZPJMESA-N -1 1 400.544 4.222 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(Br)c2)c(=O)[n-]1 ZINC000446617009 870518372 /nfs/dbraw/zinc/51/83/72/870518372.db2.gz IIYZGBNSUDJMEX-UHFFFAOYSA-N -1 1 416.728 4.200 20 0 HIADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)[nH]n2)o1 ZINC000446639613 870549084 /nfs/dbraw/zinc/54/90/84/870549084.db2.gz VYMRNAFVNLXPFZ-UHFFFAOYSA-N -1 1 403.794 4.034 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)n[nH]2)cc1Cl ZINC000446643209 870554714 /nfs/dbraw/zinc/55/47/14/870554714.db2.gz SXSUSYFTMPYPHF-UHFFFAOYSA-N -1 1 402.259 4.094 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c(C)n1 ZINC000446705152 870620575 /nfs/dbraw/zinc/62/05/75/870620575.db2.gz FYWLGUVVZZCRDI-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c(C)n1 ZINC000446707296 870623651 /nfs/dbraw/zinc/62/36/51/870623651.db2.gz QXZBKBWZOHSHPI-UHFFFAOYSA-N -1 1 417.437 4.030 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2ncc3n2CCCC3)c1)c1cccc2ncccc21 ZINC000446944956 870853521 /nfs/dbraw/zinc/85/35/21/870853521.db2.gz BGRCLCZXVROUMG-UHFFFAOYSA-N -1 1 404.495 4.235 20 0 HIADMM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000446980821 870876501 /nfs/dbraw/zinc/87/65/01/870876501.db2.gz MBUKYPHZJKPKDI-IBGZPJMESA-N -1 1 422.550 4.499 20 0 HIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000447005289 870886924 /nfs/dbraw/zinc/88/69/24/870886924.db2.gz GMBCVMGMBGXKKV-UHFFFAOYSA-N -1 1 422.222 4.471 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cc1 ZINC000447007436 870888609 /nfs/dbraw/zinc/88/86/09/870888609.db2.gz QDRFBERLMHLJLC-UHFFFAOYSA-N -1 1 418.478 4.142 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)ccc1Cl)C(C)C ZINC000447258373 871135840 /nfs/dbraw/zinc/13/58/40/871135840.db2.gz QVRNHQRMAZIEDW-UHFFFAOYSA-N -1 1 424.950 4.328 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)ccc1Cl)C(C)C ZINC000447263123 871145408 /nfs/dbraw/zinc/14/54/08/871145408.db2.gz HMUSIFNHRDBOOA-UHFFFAOYSA-N -1 1 422.934 4.214 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)ccc1Cl)C(C)C ZINC000447267228 871150653 /nfs/dbraw/zinc/15/06/53/871150653.db2.gz MCMRAGJKELSVRB-UHFFFAOYSA-N -1 1 412.914 4.459 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)ccc1Cl)C(C)C ZINC000447272867 871161919 /nfs/dbraw/zinc/16/19/19/871161919.db2.gz FBICWFRZJRVMAL-UHFFFAOYSA-N -1 1 422.934 4.214 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000447277166 871170684 /nfs/dbraw/zinc/17/06/84/871170684.db2.gz GQDXRDQJFBIBOO-UHFFFAOYSA-N -1 1 401.341 4.004 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccccc2F)nc1)c1ccc2c(c1)CCCO2 ZINC000447280554 871172910 /nfs/dbraw/zinc/17/29/10/871172910.db2.gz MOAMPIWYXTZCEH-UHFFFAOYSA-N -1 1 400.431 4.139 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C(C)C)c3ccccc32)c1 ZINC000447318536 871209943 /nfs/dbraw/zinc/20/99/43/871209943.db2.gz SLABEHDMDQQSNV-LJQANCHMSA-N -1 1 405.454 4.341 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cncn2)c(F)c1)c1ccc(Cl)c2ccccc21 ZINC000447341610 871240164 /nfs/dbraw/zinc/24/01/64/871240164.db2.gz QDVXKJWQFBJRCH-UHFFFAOYSA-N -1 1 402.838 4.014 20 0 HIADMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)cc2NC1=O ZINC000447345663 871245887 /nfs/dbraw/zinc/24/58/87/871245887.db2.gz PEYDGJMHJZFCRK-NSHDSACASA-N -1 1 402.859 4.013 20 0 HIADMM Cc1ccc(F)c(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000447635965 871551467 /nfs/dbraw/zinc/55/14/67/871551467.db2.gz HNFYZPBOLUDGHK-QFIPXVFZSA-N -1 1 420.484 4.256 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCSC(C)(C)CC3)cc2)cc1 ZINC000447639770 871556864 /nfs/dbraw/zinc/55/68/64/871556864.db2.gz NWZPPCNTWCFLQE-UHFFFAOYSA-N -1 1 418.584 4.154 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2CN(C)c2ccccc2)c(=O)[n-]1 ZINC000447701151 871642572 /nfs/dbraw/zinc/64/25/72/871642572.db2.gz PPOUKKWDYCTTKW-UHFFFAOYSA-N -1 1 422.554 4.420 20 0 HIADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000447727338 871674119 /nfs/dbraw/zinc/67/41/19/871674119.db2.gz IVKBLDXMFVOQGZ-UHFFFAOYSA-N -1 1 400.704 4.101 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1C(=O)NC(C)C ZINC000447776872 871706271 /nfs/dbraw/zinc/70/62/71/871706271.db2.gz DIAVMAAQKNBBKD-UHFFFAOYSA-N -1 1 418.412 4.092 20 0 HIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000447796224 871731769 /nfs/dbraw/zinc/73/17/69/871731769.db2.gz UWJDJDQUQIHESY-UHFFFAOYSA-N -1 1 416.421 4.213 20 0 HIADMM Cc1ccc(-c2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)[nH]n2)o1 ZINC000447797219 871733698 /nfs/dbraw/zinc/73/36/98/871733698.db2.gz HEHZDXSKKGLRRQ-UHFFFAOYSA-N -1 1 422.466 4.031 20 0 HIADMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000468527859 882545207 /nfs/dbraw/zinc/54/52/07/882545207.db2.gz IXVSCQZFTFTWFI-SNVBAGLBSA-N -1 1 408.278 4.347 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000448044155 871876068 /nfs/dbraw/zinc/87/60/68/871876068.db2.gz RSVZDSGMNLHKJI-UHFFFAOYSA-N -1 1 411.508 4.456 20 0 HIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000468544679 882583571 /nfs/dbraw/zinc/58/35/71/882583571.db2.gz WAXCEZOZZFNDRI-UHFFFAOYSA-N -1 1 414.449 4.211 20 0 HIADMM O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)ccc1F ZINC000468545244 882583831 /nfs/dbraw/zinc/58/38/31/882583831.db2.gz WMLFZAMKOPHVRZ-UHFFFAOYSA-N -1 1 413.854 4.157 20 0 HIADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000468549693 882592122 /nfs/dbraw/zinc/59/21/22/882592122.db2.gz VQSJTRMKMFSGBV-JTQLQIEISA-N -1 1 408.278 4.347 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000468592616 882679550 /nfs/dbraw/zinc/67/95/50/882679550.db2.gz VDKAOJULOBWIPF-UHFFFAOYSA-N -1 1 422.488 4.351 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cnn1-c1ccc(Cl)cc1 ZINC000460422278 873083138 /nfs/dbraw/zinc/08/31/38/873083138.db2.gz GSIFJCYTIBJLHL-UHFFFAOYSA-N -1 1 400.262 4.427 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)Nc2ccnn2C2CCCC2)nc1-c1ccccc1 ZINC000460435159 873100835 /nfs/dbraw/zinc/10/08/35/873100835.db2.gz ISFWEWRSYGRNOJ-UHFFFAOYSA-N -1 1 409.515 4.200 20 0 HIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)nc1-c1ccccc1 ZINC000460436432 873102997 /nfs/dbraw/zinc/10/29/97/873102997.db2.gz LJAQCWDESPXNAL-YJBOKZPZSA-N -1 1 421.522 4.278 20 0 HIADMM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc(OCC(F)F)c4ccccc43)ccc2o1 ZINC000460446614 873115309 /nfs/dbraw/zinc/11/53/09/873115309.db2.gz SRXNRLHBPPWUSV-UHFFFAOYSA-N -1 1 420.393 4.131 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c(C)c1 ZINC000460816525 873698377 /nfs/dbraw/zinc/69/83/77/873698377.db2.gz QTKXBQHQYWITGD-UHFFFAOYSA-N -1 1 420.314 4.136 20 0 HIADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(CSC(C)C)c1C ZINC000460824891 873708354 /nfs/dbraw/zinc/70/83/54/873708354.db2.gz TYKPTCYYPRHJFU-UHFFFAOYSA-N -1 1 409.529 4.144 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)cc(C)c1F ZINC000460827659 873712272 /nfs/dbraw/zinc/71/22/72/873712272.db2.gz KYNLNYWHKIFLKD-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)cc1 ZINC000460830465 873717508 /nfs/dbraw/zinc/71/75/08/873717508.db2.gz LAWXPPBAKJXEAP-UHFFFAOYSA-N -1 1 416.543 4.319 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(F)cc2)cc1 ZINC000460832258 873719472 /nfs/dbraw/zinc/71/94/72/873719472.db2.gz UFPQYVFIKZZRTF-UHFFFAOYSA-N -1 1 416.449 4.415 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC4(CCC4)[C@H]3C3CC3)cc2)cc1 ZINC000460976719 873870654 /nfs/dbraw/zinc/87/06/54/873870654.db2.gz FARBMJZPEFYOPJ-OAQYLSRUSA-N -1 1 410.539 4.201 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1F)N1CCCC1 ZINC000461339568 874348968 /nfs/dbraw/zinc/34/89/68/874348968.db2.gz JYLMMFFDMQCRMV-UHFFFAOYSA-N -1 1 402.491 4.130 20 0 HIADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Br)c3)cc2nn1C ZINC000461339383 874349188 /nfs/dbraw/zinc/34/91/88/874349188.db2.gz FAKPJNHGTNRIOP-UHFFFAOYSA-N -1 1 414.712 4.098 20 0 HIADMM CCCc1nc(C)c([N-]S(=O)(=O)CCc2ccccc2Br)s1 ZINC000461338734 874349387 /nfs/dbraw/zinc/34/93/87/874349387.db2.gz HOJQXTMTCFTRCJ-UHFFFAOYSA-N -1 1 403.367 4.151 20 0 HIADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000461340982 874350779 /nfs/dbraw/zinc/35/07/79/874350779.db2.gz SMXHXHWYZZWZKZ-OXFYSEKESA-N -1 1 416.518 4.325 20 0 HIADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000461340988 874350811 /nfs/dbraw/zinc/35/08/11/874350811.db2.gz SMXHXHWYZZWZKZ-XAUMDUMWSA-N -1 1 416.518 4.325 20 0 HIADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1c(C(C)C)cccc1C(C)C ZINC000461419095 874441171 /nfs/dbraw/zinc/44/11/71/874441171.db2.gz KWWOVEHALBLJNP-UHFFFAOYSA-N -1 1 409.573 4.446 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(C(C)C)CC3)c2)cc1 ZINC000461420015 874444498 /nfs/dbraw/zinc/44/44/98/874444498.db2.gz MPTVHUKUIAAAIM-UHFFFAOYSA-N -1 1 416.543 4.004 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1OCC ZINC000461428042 874464529 /nfs/dbraw/zinc/46/45/29/874464529.db2.gz YADXDAFSSAKTBI-UHFFFAOYSA-N -1 1 404.532 4.009 20 0 HIADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)cc1 ZINC000468818153 882875246 /nfs/dbraw/zinc/87/52/46/882875246.db2.gz CZAKMXOEGISHGE-UHFFFAOYSA-N -1 1 419.405 4.185 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nc1-c1ccccc1 ZINC000461797139 874911976 /nfs/dbraw/zinc/91/19/76/874911976.db2.gz KAJJDJNZIVXYHT-AWEZNQCLSA-N -1 1 417.918 4.148 20 0 HIADMM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000462045385 875157985 /nfs/dbraw/zinc/15/79/85/875157985.db2.gz NZGUITSBMRQPAU-UHFFFAOYSA-N -1 1 402.398 4.304 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1C(C)(C)C)c1nc(-c2cccnc2)no1 ZINC000462159558 875255564 /nfs/dbraw/zinc/25/55/64/875255564.db2.gz QZWGSUMTOVNJEO-SFHVURJKSA-N -1 1 414.531 4.105 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1C(C)(C)C)c1nc(-c2ccncc2)no1 ZINC000462164960 875259949 /nfs/dbraw/zinc/25/99/49/875259949.db2.gz PGANLVAZNDYJIL-SFHVURJKSA-N -1 1 414.531 4.105 20 0 HIADMM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000462351518 875465461 /nfs/dbraw/zinc/46/54/61/875465461.db2.gz HXUWLBAXSQXFIA-UHFFFAOYSA-N -1 1 423.943 4.147 20 0 HIADMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)cc1 ZINC000462411600 875518808 /nfs/dbraw/zinc/51/88/08/875518808.db2.gz WKEDCOKBJZOJKL-SNVBAGLBSA-N -1 1 400.736 4.374 20 0 HIADMM CCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)c1ccccc1 ZINC000462467118 875573086 /nfs/dbraw/zinc/57/30/86/875573086.db2.gz QISWTMITFIEDAJ-CQSZACIVSA-N -1 1 416.877 4.396 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000462667870 875767426 /nfs/dbraw/zinc/76/74/26/875767426.db2.gz UJRJHMFLYVVNNN-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)Oc1cccc(F)c1 ZINC000462706828 875791344 /nfs/dbraw/zinc/79/13/44/875791344.db2.gz CSVKURNMHQOOCQ-SNVBAGLBSA-N -1 1 411.804 4.244 20 0 HIADMM CC[C@H](C)c1ccc([C@H]([N-]S(=O)(=O)c2scnc2C(=O)OC)C(C)C)cc1 ZINC000462709506 875792539 /nfs/dbraw/zinc/79/25/39/875792539.db2.gz UMTIZRUZWVRZSA-XJKSGUPXSA-N -1 1 410.561 4.119 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cn2)CCCC3)cc1 ZINC000462771113 875830538 /nfs/dbraw/zinc/83/05/38/875830538.db2.gz CJIZVBDJKBLYCF-UHFFFAOYSA-N -1 1 421.522 4.322 20 0 HIADMM COCCOc1ccc([C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1OC ZINC000462785898 875840403 /nfs/dbraw/zinc/84/04/03/875840403.db2.gz SNFWXXJPWLFBBT-INIZCTEOSA-N -1 1 424.501 4.068 20 0 HIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(Cc2nnc3ccccn32)cc1 ZINC000468932072 882997349 /nfs/dbraw/zinc/99/73/49/882997349.db2.gz KTCOBVYSZAIPRW-UHFFFAOYSA-N -1 1 406.511 4.244 20 0 HIADMM COc1c(Br)c(C)sc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000463168350 876223885 /nfs/dbraw/zinc/22/38/85/876223885.db2.gz GXRIVMMHDKWSOI-UHFFFAOYSA-N -1 1 400.279 4.191 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468971382 883038631 /nfs/dbraw/zinc/03/86/31/883038631.db2.gz NVFWPTZTFCVHBG-UHFFFAOYSA-N -1 1 424.819 4.456 20 0 HIADMM CCOc1cc(Cl)ccc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000468978753 883046163 /nfs/dbraw/zinc/04/61/63/883046163.db2.gz MOJZDIHGWDBWTF-UHFFFAOYSA-N -1 1 412.877 4.176 20 0 HIADMM CC[C@H](Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000463800336 876918170 /nfs/dbraw/zinc/91/81/70/876918170.db2.gz OQPAAKYCZZKPAH-GFCCVEGCSA-N -1 1 419.396 4.299 20 0 HIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(SC)c(Cl)c3)ccc2[nH]1 ZINC000463800122 876918270 /nfs/dbraw/zinc/91/82/70/876918270.db2.gz ROKVBSVDBRJTJX-UHFFFAOYSA-N -1 1 408.932 4.267 20 0 HIADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000463916345 877036839 /nfs/dbraw/zinc/03/68/39/877036839.db2.gz SAMYAZDTMWDMEK-CVEARBPZSA-N -1 1 404.532 4.051 20 0 HIADMM COc1cc(-c2cc3[n-]c(-c4ccc(C)c(O)c4)nc(=O)c3s2)cc(OC)c1OC ZINC000469028477 883096386 /nfs/dbraw/zinc/09/63/86/883096386.db2.gz QZXZVNDWBBUEAZ-UHFFFAOYSA-N -1 1 424.478 4.358 20 0 HIADMM CCc1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)s1 ZINC000464089912 877243194 /nfs/dbraw/zinc/24/31/94/877243194.db2.gz YAAUZFNXPBDUPR-UHFFFAOYSA-N -1 1 423.466 4.037 20 0 HIADMM CCc1cnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)s1 ZINC000464092379 877247619 /nfs/dbraw/zinc/24/76/19/877247619.db2.gz DIWPYYQLLGEIGG-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CCc3cccs3)c2)c1 ZINC000464348531 877540560 /nfs/dbraw/zinc/54/05/60/877540560.db2.gz PWYUOKFZPDBRAQ-UHFFFAOYSA-N -1 1 414.552 4.172 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)cc1Cl ZINC000464416582 877623687 /nfs/dbraw/zinc/62/36/87/877623687.db2.gz JIXHRDFGAHKIHG-UHFFFAOYSA-N -1 1 423.947 4.175 20 0 HIADMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000464646109 877864953 /nfs/dbraw/zinc/86/49/53/877864953.db2.gz HEMPSKQAEZGPTN-UHFFFAOYSA-N -1 1 407.739 4.309 20 0 HIADMM COc1cccc(Cl)c1-c1noc(C)c1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000464649615 877869769 /nfs/dbraw/zinc/86/97/69/877869769.db2.gz WGFHFZGNCASVFX-UHFFFAOYSA-N -1 1 418.240 4.260 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000464701514 877919638 /nfs/dbraw/zinc/91/96/38/877919638.db2.gz UQKZPNWTDWEROZ-KRWDZBQOSA-N -1 1 420.600 4.366 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(C)c1O ZINC000503319339 912298045 /nfs/dbraw/zinc/29/80/45/912298045.db2.gz NZIORWXXUATMMN-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)ccc1C ZINC000464828046 878082079 /nfs/dbraw/zinc/08/20/79/878082079.db2.gz BCHGSZUHSZXBBT-UHFFFAOYSA-N -1 1 401.406 4.077 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)ccc1C ZINC000464831857 878089244 /nfs/dbraw/zinc/08/92/44/878089244.db2.gz NSWFTXVVXROGCJ-UHFFFAOYSA-N -1 1 400.422 4.249 20 0 HIADMM CC[C@H]1CCC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000465027717 878391698 /nfs/dbraw/zinc/39/16/98/878391698.db2.gz BUWTVYUUEKAXLJ-ORAYPTAESA-N -1 1 408.470 4.074 20 0 HIADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000465027718 878392149 /nfs/dbraw/zinc/39/21/49/878392149.db2.gz BUWTVYUUEKAXLJ-YJYMSZOUSA-N -1 1 408.470 4.074 20 0 HIADMM CC[C@H]1CCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000465039055 878400773 /nfs/dbraw/zinc/40/07/73/878400773.db2.gz WQIGWBJXOYACRN-DJJJIMSYSA-N -1 1 408.470 4.074 20 0 HIADMM CCOc1cc(C)ccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000465095234 878462477 /nfs/dbraw/zinc/46/24/77/878462477.db2.gz MSFKRFJGNIPOOK-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM Cc1c(F)cccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000465278587 878714720 /nfs/dbraw/zinc/71/47/20/878714720.db2.gz WVLFBBCLTNHYRJ-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1 ZINC000465399442 878836640 /nfs/dbraw/zinc/83/66/40/878836640.db2.gz WICCHAMUZKWQGR-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM CC[C@H](C)C[C@H](C)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466170527 879871969 /nfs/dbraw/zinc/87/19/69/879871969.db2.gz SNQKUXOFVZDUNG-ROUUACIJSA-N -1 1 417.575 4.454 20 0 HIADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000466474696 880257486 /nfs/dbraw/zinc/25/74/86/880257486.db2.gz QAIWYTNZPBJCDM-UHFFFAOYSA-N -1 1 412.305 4.160 20 0 HIADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c1 ZINC000466477218 880260243 /nfs/dbraw/zinc/26/02/43/880260243.db2.gz IJKWCGCLZNIVKW-UHFFFAOYSA-N -1 1 424.906 4.009 20 0 HIADMM O=C(Nc1cccc2c1OCCC2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000466506247 880280426 /nfs/dbraw/zinc/28/04/26/880280426.db2.gz UWMURXWJCBPHDB-UHFFFAOYSA-N -1 1 408.479 4.065 20 0 HIADMM O=C(NCc1cccc2cc[nH]c21)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000466858949 880628963 /nfs/dbraw/zinc/62/89/63/880628963.db2.gz TYHUBEUZMHYZQN-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000466902195 880669229 /nfs/dbraw/zinc/66/92/29/880669229.db2.gz FEJPSHIAQVKBNG-UHFFFAOYSA-N -1 1 402.727 4.047 20 0 HIADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466965620 880760067 /nfs/dbraw/zinc/76/00/67/880760067.db2.gz CFIZSXRVKOHNGP-HNNXBMFYSA-N -1 1 407.507 4.167 20 0 HIADMM O=C(NCc1cccc2cc[nH]c21)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000467042134 880838184 /nfs/dbraw/zinc/83/81/84/880838184.db2.gz ZPUWPTQWSFCCPR-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)ccc1C ZINC000467076780 880852143 /nfs/dbraw/zinc/85/21/43/880852143.db2.gz WPSUQPPJUCDWLA-UHFFFAOYSA-N -1 1 402.472 4.021 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@H](C)OC)c2)cc1 ZINC000467082309 880853785 /nfs/dbraw/zinc/85/37/85/880853785.db2.gz CSVWTXYIPLRVSC-HNNXBMFYSA-N -1 1 404.532 4.148 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)ccc1C ZINC000467088303 880855715 /nfs/dbraw/zinc/85/57/15/880855715.db2.gz GGJKIRMIHJVJFF-UHFFFAOYSA-N -1 1 411.479 4.161 20 0 HIADMM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000467107247 880866795 /nfs/dbraw/zinc/86/67/95/880866795.db2.gz ZSEIBAQEIMFMQD-UHFFFAOYSA-N -1 1 424.545 4.221 20 0 HIADMM COc1ccccc1N1CC[C@H](Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)C1=O ZINC000467201226 880931629 /nfs/dbraw/zinc/93/16/29/880931629.db2.gz LTNFPAUVBHFXHX-SFHVURJKSA-N -1 1 407.495 4.064 20 0 HIADMM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000467327927 881076702 /nfs/dbraw/zinc/07/67/02/881076702.db2.gz PIZTUBXIMPVFHH-UHFFFAOYSA-N -1 1 419.499 4.251 20 0 HIADMM CCC(CC)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000469196255 883296331 /nfs/dbraw/zinc/29/63/31/883296331.db2.gz HTNCDXSBLKIJEW-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Nc2cnn(C)c2)c1 ZINC000469950773 884151964 /nfs/dbraw/zinc/15/19/64/884151964.db2.gz QMVQPADNLNEURT-UHFFFAOYSA-N -1 1 421.320 4.035 20 0 HIADMM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC[C@@H]1c1ccccc1 ZINC000470013017 884230526 /nfs/dbraw/zinc/23/05/26/884230526.db2.gz LWXVWXUTPQENSE-AEFFLSMTSA-N -1 1 418.559 4.012 20 0 HIADMM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1csc(-c2cnccn2)n1 ZINC000470386228 884788474 /nfs/dbraw/zinc/78/84/74/884788474.db2.gz GYMWGRSSXHKERC-UHFFFAOYSA-N -1 1 406.452 4.117 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H](Cc1ccccc1)C(C)C ZINC000470721609 885166885 /nfs/dbraw/zinc/16/68/85/885166885.db2.gz DSPCOOMRSJVLQY-NRFANRHFSA-N -1 1 418.541 4.116 20 0 HIADMM CC[C@H](C)CN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000470855298 885351997 /nfs/dbraw/zinc/35/19/97/885351997.db2.gz RHUZWEPAJNYZBI-AWEZNQCLSA-N -1 1 410.486 4.274 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3cncs3)cc2)cc1C ZINC000470956900 885455499 /nfs/dbraw/zinc/45/54/99/885455499.db2.gz FCRXMMDMGJYCIU-HNNXBMFYSA-N -1 1 415.540 4.052 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1Cl ZINC000471110709 885646332 /nfs/dbraw/zinc/64/63/32/885646332.db2.gz UWVUNIQOBXSHQZ-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cn1 ZINC000471132182 885670956 /nfs/dbraw/zinc/67/09/56/885670956.db2.gz VFTNGYQIFOBETI-CQSZACIVSA-N -1 1 415.902 4.027 20 0 HIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cc2nccnc2cc1F ZINC000471162066 885717168 /nfs/dbraw/zinc/71/71/68/885717168.db2.gz RYTXNOGZCWTJKD-AWEZNQCLSA-N -1 1 405.458 4.341 20 0 HIADMM Cc1cccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1F ZINC000471162536 885717384 /nfs/dbraw/zinc/71/73/84/885717384.db2.gz QCIDQNWAFJOMBN-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM COc1cccc(-c2nc(C(=O)[N-]c3nc(-c4ccc5c(c4)CCO5)cs3)no2)c1 ZINC000471260785 885839569 /nfs/dbraw/zinc/83/95/69/885839569.db2.gz DQWZNWWYYCZUSZ-UHFFFAOYSA-N -1 1 420.450 4.056 20 0 HIADMM O=S(=O)([N-][C@@H](c1cccnc1)C1CC1)c1cc(Cl)c(Br)cc1F ZINC000471657488 886371404 /nfs/dbraw/zinc/37/14/04/886371404.db2.gz YBROCSMBLISYRN-OAHLLOKOSA-N -1 1 419.703 4.066 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)CC3(C)C)cc2)cc1 ZINC000471727915 886444020 /nfs/dbraw/zinc/44/40/20/886444020.db2.gz OEAOMSNKAZQYLW-INIZCTEOSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1nc2c(cccc2C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)o1 ZINC000471738116 886459700 /nfs/dbraw/zinc/45/97/00/886459700.db2.gz ARRBEBVSELNTKO-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(F)cc3Cl)n2)ccc1F ZINC000471868954 886647048 /nfs/dbraw/zinc/64/70/48/886647048.db2.gz FFEGIHYAIWIVEJ-SNVBAGLBSA-N -1 1 413.833 4.016 20 0 HIADMM O=S(=O)([N-][C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc(F)c(F)c1F ZINC000471877200 886657115 /nfs/dbraw/zinc/65/71/15/886657115.db2.gz MLZMNNSOAFOMGU-SFHVURJKSA-N -1 1 412.820 4.220 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000471994757 886820874 /nfs/dbraw/zinc/82/08/74/886820874.db2.gz DYOKCRGUVNXAOH-UHFFFAOYSA-N -1 1 409.573 4.357 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H]3Cc3ccccc3)c2)c1 ZINC000472193824 886994697 /nfs/dbraw/zinc/99/46/97/886994697.db2.gz SLYFLYSIQGIEMK-QFIPXVFZSA-N -1 1 420.534 4.253 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1C(=O)[O-] ZINC000504293477 913145889 /nfs/dbraw/zinc/14/58/89/913145889.db2.gz PPINOYOZICJEAL-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM CCCCn1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)n1 ZINC000472738229 887584322 /nfs/dbraw/zinc/58/43/22/887584322.db2.gz UJVKNEFVQLIWIH-UHFFFAOYSA-N -1 1 412.515 4.045 20 0 HIADMM COc1cc(NC(=O)Cc2csc3ccc(Cl)cc23)ccc1[N-]S(C)(=O)=O ZINC000504376880 913205063 /nfs/dbraw/zinc/20/50/63/913205063.db2.gz BBNJVVUNDGMBSZ-UHFFFAOYSA-N -1 1 424.931 4.116 20 0 HIADMM CCc1nc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000473385571 888100605 /nfs/dbraw/zinc/10/06/05/888100605.db2.gz QPACXBJIOYVMBJ-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@H](C)c1ccccc1 ZINC000473561730 888301646 /nfs/dbraw/zinc/30/16/46/888301646.db2.gz OVBJVLPOFWETEY-ZWKOTPCHSA-N -1 1 408.523 4.409 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(CN3CCSCC3)cc2C)sc1Cl ZINC000473757262 888547981 /nfs/dbraw/zinc/54/79/81/888547981.db2.gz QXQLMOYDPUBBCG-UHFFFAOYSA-N -1 1 417.021 4.368 20 0 HIADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)sc1Cl ZINC000473856187 888707280 /nfs/dbraw/zinc/70/72/80/888707280.db2.gz CRYPKCJGQZRQCE-JTQLQIEISA-N -1 1 415.899 4.247 20 0 HIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)cc1 ZINC000504507731 913296884 /nfs/dbraw/zinc/29/68/84/913296884.db2.gz MELOFRHYCFCSIL-UHFFFAOYSA-N -1 1 410.543 4.281 20 0 HIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000504506634 913297700 /nfs/dbraw/zinc/29/77/00/913297700.db2.gz CKPKPTGSFWEUGX-UHFFFAOYSA-N -1 1 406.389 4.239 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@H]1CC12CCCC2 ZINC000474494385 889355146 /nfs/dbraw/zinc/35/51/46/889355146.db2.gz JRFDNQWJVFLYSB-MRXNPFEDSA-N -1 1 406.454 4.284 20 0 HIADMM CCCOc1ccc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1OC ZINC000474536213 889410588 /nfs/dbraw/zinc/41/05/88/889410588.db2.gz DHWYPXOTTINQHK-ZDUSSCGKSA-N -1 1 401.507 4.077 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1OCc1ccccc1 ZINC000474541612 889417922 /nfs/dbraw/zinc/41/79/22/889417922.db2.gz PNGGESRCNQGNRC-UHFFFAOYSA-N -1 1 405.498 4.297 20 0 HIADMM O=C(Cc1ccc(O)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000474671244 889535788 /nfs/dbraw/zinc/53/57/88/889535788.db2.gz IPUDNPSCQMEMSH-UHFFFAOYSA-N -1 1 416.886 4.028 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(COC(C)(C)C)c2C)c(=O)[n-]1 ZINC000474773672 889630829 /nfs/dbraw/zinc/63/08/29/889630829.db2.gz KBCZBQYGQSLEIZ-UHFFFAOYSA-N -1 1 403.548 4.407 20 0 HIADMM CC(C)c1cc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)ncn1 ZINC000474781182 889638528 /nfs/dbraw/zinc/63/85/28/889638528.db2.gz RIBTWHZESHLMKS-UHFFFAOYSA-N -1 1 400.479 4.152 20 0 HIADMM CCc1onc(C)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000475314755 890229728 /nfs/dbraw/zinc/22/97/28/890229728.db2.gz ITYWRNHBRQRUME-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000475322151 890242127 /nfs/dbraw/zinc/24/21/27/890242127.db2.gz ZZHOJNZFQSNOHR-SJORKVTESA-N -1 1 422.934 4.380 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@@H]1CCCC1(C)C ZINC000475340780 890262045 /nfs/dbraw/zinc/26/20/45/890262045.db2.gz AOVNFGIWKHHBST-FQEVSTJZSA-N -1 1 400.544 4.272 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)CNc3ccccc3)c2)c1 ZINC000475564060 890494492 /nfs/dbraw/zinc/49/44/92/890494492.db2.gz SPLPZAHTOVPEPQ-GOSISDBHSA-N -1 1 423.538 4.026 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c(Cl)c1Cl ZINC000475734772 890674987 /nfs/dbraw/zinc/67/49/87/890674987.db2.gz ZTNFBVDCSKMKKZ-UHFFFAOYSA-N -1 1 424.689 4.463 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)c(Br)c1 ZINC000475789364 890729317 /nfs/dbraw/zinc/72/93/17/890729317.db2.gz RULKRFNHCYYWMV-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)c1 ZINC000475814547 890748580 /nfs/dbraw/zinc/74/85/80/890748580.db2.gz QHEUDEMNVZEDLI-UHFFFAOYSA-N -1 1 404.385 4.193 20 0 HIADMM CSC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000476067074 890996203 /nfs/dbraw/zinc/99/62/03/890996203.db2.gz IXIUAMDJLIKAGS-UHFFFAOYSA-N -1 1 414.911 4.114 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCc2ccc(Cl)cc21 ZINC000476150677 891074678 /nfs/dbraw/zinc/07/46/78/891074678.db2.gz MMTXEGNVFDSQFC-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000476154622 891079236 /nfs/dbraw/zinc/07/92/36/891079236.db2.gz NHMRSDHEKCVNMR-FQEVSTJZSA-N -1 1 406.507 4.117 20 0 HIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1)C(C)=O ZINC000476377909 891293479 /nfs/dbraw/zinc/29/34/79/891293479.db2.gz LKPHLYWEJYGHQQ-UHFFFAOYSA-N -1 1 414.449 4.183 20 0 HIADMM CSc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1Cl ZINC000476399733 891316218 /nfs/dbraw/zinc/31/62/18/891316218.db2.gz VCFJRCCDZJVRML-LLVKDONJSA-N -1 1 410.948 4.160 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1OC ZINC000476403436 891320898 /nfs/dbraw/zinc/32/08/98/891320898.db2.gz FMQMIYDKLHVKJL-UHFFFAOYSA-N -1 1 414.483 4.006 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)ccc1Br ZINC000476420384 891334146 /nfs/dbraw/zinc/33/41/46/891334146.db2.gz VVPXJICCPHKEOD-UHFFFAOYSA-N -1 1 424.320 4.189 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)ccc1Br ZINC000476422666 891335578 /nfs/dbraw/zinc/33/55/78/891335578.db2.gz LMTVZRQOSSMVAA-UHFFFAOYSA-N -1 1 424.320 4.189 20 0 HIADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)c1 ZINC000476427202 891338787 /nfs/dbraw/zinc/33/87/87/891338787.db2.gz HQJLIAWKUNRSBV-UHFFFAOYSA-N -1 1 405.516 4.288 20 0 HIADMM O=S(=O)([N-]c1ccc(Cn2cnc3ccccc32)cc1)c1ccc2ncccc2c1 ZINC000476914632 891864900 /nfs/dbraw/zinc/86/49/00/891864900.db2.gz NHGQHMQIWDXJCN-UHFFFAOYSA-N -1 1 414.490 4.434 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@H](C)C1CC1 ZINC000477207588 892134778 /nfs/dbraw/zinc/13/47/78/892134778.db2.gz NFWDYOUJCBENJG-GFCCVEGCSA-N -1 1 408.907 4.134 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(C(F)(F)F)c1 ZINC000477288172 892248507 /nfs/dbraw/zinc/24/85/07/892248507.db2.gz BZCVMZCSSVOQPK-UHFFFAOYSA-N -1 1 403.378 4.022 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn(Cc4ccccc4)nn3)c2)cc1 ZINC000477423648 892377018 /nfs/dbraw/zinc/37/70/18/892377018.db2.gz IXWTWXLOHZRRHH-UHFFFAOYSA-N -1 1 404.495 4.103 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1c2ccccc2-c2ccccc21 ZINC000477556598 892602669 /nfs/dbraw/zinc/60/26/69/892602669.db2.gz ZQMYNDDZNBECJJ-UHFFFAOYSA-N -1 1 424.522 4.198 20 0 HIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)OC)c2)cc1 ZINC000504984256 913727711 /nfs/dbraw/zinc/72/77/11/913727711.db2.gz AOKNVVMJWZNULE-UHFFFAOYSA-N -1 1 407.557 4.236 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCC(C)(C)C1 ZINC000478217991 893378092 /nfs/dbraw/zinc/37/80/92/893378092.db2.gz KZLPPBLYJCYEIZ-GOSISDBHSA-N -1 1 404.507 4.277 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000478231752 893393143 /nfs/dbraw/zinc/39/31/43/893393143.db2.gz JCHNFFZCRPOKRG-LJQANCHMSA-N -1 1 424.497 4.256 20 0 HIADMM CCN(CC1CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000478281316 893485374 /nfs/dbraw/zinc/48/53/74/893485374.db2.gz OECUYIDZUHXZEP-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM CC[C@@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000478283549 893490353 /nfs/dbraw/zinc/49/03/53/893490353.db2.gz RMVIMTPDAOTSKD-OAHLLOKOSA-N -1 1 418.515 4.023 20 0 HIADMM CCN(CC1CCC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000478311758 893536350 /nfs/dbraw/zinc/53/63/50/893536350.db2.gz WFMPWBLJVGFQTG-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccncc4)no3)c2)c1 ZINC000505039380 913778960 /nfs/dbraw/zinc/77/89/60/913778960.db2.gz OFYBMBJSFYKSMW-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM C[C@H](CN(C)C(=O)c1oc2ccccc2c1CSCc1ccccc1)c1nn[n-]n1 ZINC000478600698 893867922 /nfs/dbraw/zinc/86/79/22/893867922.db2.gz ZJFWOQQNKAXGSR-OAHLLOKOSA-N -1 1 421.526 4.255 20 0 HIADMM C[C@H](CN(C)C(=O)c1c2c(nc3ccccc31)C(=Cc1ccccc1)CC2)c1nn[n-]n1 ZINC000478603899 893869762 /nfs/dbraw/zinc/86/97/62/893869762.db2.gz TZZDOGLOIDXYCM-VVZNPABPSA-N -1 1 424.508 4.110 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1NC(=O)N(C)C ZINC000478684816 893940048 /nfs/dbraw/zinc/94/00/48/893940048.db2.gz CDAXJNKHBAJVPQ-UHFFFAOYSA-N -1 1 419.400 4.047 20 0 HIADMM CC[C@@H](C)n1ncc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000478694148 893954281 /nfs/dbraw/zinc/95/42/81/893954281.db2.gz QXCWUZMHVHICAX-OAHLLOKOSA-N -1 1 412.515 4.216 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)CC(F)F)cc1 ZINC000505163340 913854062 /nfs/dbraw/zinc/85/40/62/913854062.db2.gz CNTCLUXRYRKNCB-UHFFFAOYSA-N -1 1 424.513 4.430 20 0 HIADMM CSCCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000479050553 894310483 /nfs/dbraw/zinc/31/04/83/894310483.db2.gz CEKKUBGTGHBKPN-UHFFFAOYSA-N -1 1 420.600 4.367 20 0 HIADMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1C ZINC000479287139 894566990 /nfs/dbraw/zinc/56/69/90/894566990.db2.gz TWQKZDRFJRKUNQ-UHFFFAOYSA-N -1 1 423.943 4.314 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2nc3c(ccc4c3CCCC4)s2)c(=O)[n-]1 ZINC000505225856 913892664 /nfs/dbraw/zinc/89/26/64/913892664.db2.gz NYMOBMGLBVXXJO-UHFFFAOYSA-N -1 1 414.556 4.272 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC000479410851 894717072 /nfs/dbraw/zinc/71/70/72/894717072.db2.gz PWCCSHGBOIKFMA-UHFFFAOYSA-N -1 1 406.755 4.068 20 0 HIADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000479420676 894732395 /nfs/dbraw/zinc/73/23/95/894732395.db2.gz RGDUDKPKDHKKLK-FOIQADDNSA-N -1 1 404.507 4.196 20 0 HIADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000479554215 894852107 /nfs/dbraw/zinc/85/21/07/894852107.db2.gz LIYYUFJMMKIYHS-UHFFFAOYSA-N -1 1 411.401 4.432 20 0 HIADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1 ZINC000479572032 894865842 /nfs/dbraw/zinc/86/58/42/894865842.db2.gz ZKXSICMKFAIDEE-UHFFFAOYSA-N -1 1 410.451 4.185 20 0 HIADMM Cc1ccc(NC(=O)C(C)(C)c2cccnc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000479860066 895196330 /nfs/dbraw/zinc/19/63/30/895196330.db2.gz GDOBWZKTIMXKSZ-UHFFFAOYSA-N -1 1 409.511 4.107 20 0 HIADMM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000479928107 895276174 /nfs/dbraw/zinc/27/61/74/895276174.db2.gz RQORHVDHBHNYNC-NOZJJQNGSA-N -1 1 424.769 4.219 20 0 HIADMM Cc1ccc(C)c([C@H]2CN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)[C@@H](C)CO2)c1 ZINC000480068544 895417956 /nfs/dbraw/zinc/41/79/56/895417956.db2.gz DJQFNLQWCHPQCP-HRAATJIYSA-N -1 1 404.514 4.444 20 0 HIADMM Cc1nc(-c2ccc(N3C[C@@H](c4ccccc4Cl)OC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000480072887 895424698 /nfs/dbraw/zinc/42/46/98/895424698.db2.gz MAKZONMVMTZHLQ-YJYMSZOUSA-N -1 1 410.905 4.481 20 0 HIADMM COc1ccc(F)cc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000505307967 913968822 /nfs/dbraw/zinc/96/88/22/913968822.db2.gz LISMMXUVQTYEDT-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2O1 ZINC000480196416 895595481 /nfs/dbraw/zinc/59/54/81/895595481.db2.gz FMIBLNJCXHEAAH-QGZVFWFLSA-N -1 1 401.406 4.490 20 0 HIADMM CC(=O)c1cccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000480815409 896186368 /nfs/dbraw/zinc/18/63/68/896186368.db2.gz VAFDTZKZUFXCIO-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM O=C(N[C@@H]1CCCc2c(O)cccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000481186798 896532588 /nfs/dbraw/zinc/53/25/88/896532588.db2.gz FKTZXLRYYHKFHC-OAQYLSRUSA-N -1 1 422.506 4.000 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC[C@H]3C(F)F)c2)c1 ZINC000505421847 914085666 /nfs/dbraw/zinc/08/56/66/914085666.db2.gz SCGJAYYLVDSXDM-IBGZPJMESA-N -1 1 422.497 4.364 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000505437320 914102165 /nfs/dbraw/zinc/10/21/65/914102165.db2.gz ZKQUISHLMCWLPD-UHFFFAOYSA-N -1 1 422.506 4.322 20 0 HIADMM C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000481485292 896867004 /nfs/dbraw/zinc/86/70/04/896867004.db2.gz XWXBSDSSELWKRX-SJKOYZFVSA-N -1 1 401.388 4.165 20 0 HIADMM Cc1cc(Cl)ccc1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000481511576 896881270 /nfs/dbraw/zinc/88/12/70/896881270.db2.gz PTJRJEMQLQOPJL-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM Cc1ccccc1CCC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000505448902 914116540 /nfs/dbraw/zinc/11/65/40/914116540.db2.gz HFYGZXRAUUVUSC-UHFFFAOYSA-N -1 1 422.550 4.387 20 0 HIADMM Cc1cc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1F ZINC000505449412 914117344 /nfs/dbraw/zinc/11/73/44/914117344.db2.gz OHWMNHIFJQOPNX-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM O=C(N[C@H](c1ccccc1)C(F)F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000482108900 897558578 /nfs/dbraw/zinc/55/85/78/897558578.db2.gz ZUWCDHDYZSRXJJ-LJQANCHMSA-N -1 1 416.449 4.224 20 0 HIADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000482259638 897743559 /nfs/dbraw/zinc/74/35/59/897743559.db2.gz NRQLNBQDPDNNMP-RTBURBONSA-N -1 1 418.584 4.282 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000482363954 897882388 /nfs/dbraw/zinc/88/23/88/897882388.db2.gz JFMUUQCAVMERHV-NRFANRHFSA-N -1 1 420.488 4.378 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)c1 ZINC000482537049 898123813 /nfs/dbraw/zinc/12/38/13/898123813.db2.gz RFPJIJSKMHRQQF-BXUZGUMPSA-N -1 1 403.276 4.310 20 0 HIADMM COC(C)(C)c1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000482567412 898162505 /nfs/dbraw/zinc/16/25/05/898162505.db2.gz VGESMHSLLMFLRG-UHFFFAOYSA-N -1 1 401.488 4.036 20 0 HIADMM COc1cc(CCC(=O)Nc2cc(C)cc(Br)c2[O-])cc(OC)c1OC ZINC000482604440 898206270 /nfs/dbraw/zinc/20/62/70/898206270.db2.gz NWWJGZKBTMBOSL-UHFFFAOYSA-N -1 1 424.291 4.060 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000482696100 898294527 /nfs/dbraw/zinc/29/45/27/898294527.db2.gz RBEOPMVMEMBMEJ-INIZCTEOSA-N -1 1 417.225 4.295 20 0 HIADMM CCOc1cc(C(=O)NCCCOc2ccc(C(F)(F)F)cn2)cc(Cl)c1[O-] ZINC000482786145 898393829 /nfs/dbraw/zinc/39/38/29/898393829.db2.gz FLHSEFSHTNFIDF-UHFFFAOYSA-N -1 1 418.799 4.057 20 0 HIADMM Cc1ccc(C(=O)N2CCC(C)=C(C)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000482894806 898513452 /nfs/dbraw/zinc/51/34/52/898513452.db2.gz XHKJYKJUDVGDCK-UHFFFAOYSA-N -1 1 402.491 4.117 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2c(F)cccc2F)cc1 ZINC000484089206 899720861 /nfs/dbraw/zinc/72/08/61/899720861.db2.gz PAJBEJPTCCHQGG-UHFFFAOYSA-N -1 1 417.437 4.468 20 0 HIADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000484109906 899734391 /nfs/dbraw/zinc/73/43/91/899734391.db2.gz CYNBNGASWCRFRJ-UHFFFAOYSA-N -1 1 414.874 4.088 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccc[nH]4)cc3)c3cccc(c23)C1=O ZINC000484112972 899736618 /nfs/dbraw/zinc/73/66/18/899736618.db2.gz INDAWZSQBRTXMR-UHFFFAOYSA-N -1 1 403.463 4.226 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1cnc2ccsc2c1 ZINC000484116873 899740576 /nfs/dbraw/zinc/74/05/76/899740576.db2.gz OWHNKZUZMSJCPH-UHFFFAOYSA-N -1 1 407.480 4.035 20 0 HIADMM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000484250977 899833374 /nfs/dbraw/zinc/83/33/74/899833374.db2.gz FAFQHSCBUSYOEK-UHFFFAOYSA-N -1 1 406.442 4.079 20 0 HIADMM COC(=O)c1c[n-]c(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)n1 ZINC000484552897 900030729 /nfs/dbraw/zinc/03/07/29/900030729.db2.gz AKWMJJJYEMITMA-MRVPVSSYSA-N -1 1 402.457 4.020 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000484612451 900069548 /nfs/dbraw/zinc/06/95/48/900069548.db2.gz DTIOCZNBPZYESM-LEWJYISDSA-N -1 1 417.527 4.008 20 0 HIADMM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000484770418 900183226 /nfs/dbraw/zinc/18/32/26/900183226.db2.gz NCSHKFWVKUTXRM-UHFFFAOYSA-N -1 1 414.903 4.333 20 0 HIADMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000484815895 900218196 /nfs/dbraw/zinc/21/81/96/900218196.db2.gz ZKWZFPPHJKPKPQ-UHFFFAOYSA-N -1 1 409.769 4.046 20 0 HIADMM O=C1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc2N1 ZINC000485003270 900354424 /nfs/dbraw/zinc/35/44/24/900354424.db2.gz DCNYBJPLNFXOQG-UHFFFAOYSA-N -1 1 418.824 4.434 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(F)c3)c(F)c2)c1 ZINC000485103396 900410915 /nfs/dbraw/zinc/41/09/15/900410915.db2.gz UQTSUXPGIGYGTE-UHFFFAOYSA-N -1 1 419.449 4.491 20 0 HIADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(Cl)cc2)cc1 ZINC000485162643 900461743 /nfs/dbraw/zinc/46/17/43/900461743.db2.gz ATEFZXOLLGGSHA-UHFFFAOYSA-N -1 1 418.877 4.307 20 0 HIADMM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485397283 900694298 /nfs/dbraw/zinc/69/42/98/900694298.db2.gz UCTXXLCXMRQELJ-UHFFFAOYSA-N -1 1 418.534 4.424 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@@H]1CCCSC1 ZINC000485416483 900714524 /nfs/dbraw/zinc/71/45/24/900714524.db2.gz KCJIUFIZBXWPES-CYBMUJFWSA-N -1 1 410.948 4.223 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2c3ccccc3nc(C)c2C(C)C)c(=O)[n-]1 ZINC000485659325 900911933 /nfs/dbraw/zinc/91/19/33/900911933.db2.gz FOPFZIWPNXOQHM-UHFFFAOYSA-N -1 1 410.543 4.186 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCCCCC(=O)C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000485828490 901074376 /nfs/dbraw/zinc/07/43/76/901074376.db2.gz KIDXABYRNNEGFI-KRWDZBQOSA-N -1 1 414.527 4.274 20 0 HIADMM CC(C)N(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCC1 ZINC000486197743 901382122 /nfs/dbraw/zinc/38/21/22/901382122.db2.gz KKVDMMGTBCPKHW-UHFFFAOYSA-N -1 1 418.534 4.349 20 0 HIADMM O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000486221747 901404201 /nfs/dbraw/zinc/40/42/01/901404201.db2.gz YDTLQTRHTHZSKN-FZMZJTMJSA-N -1 1 400.194 4.459 20 0 HIADMM COc1cc(NC(=O)C[C@@H]2C[C@@H](C(C)C)c3ccccc32)ccc1[N-]S(C)(=O)=O ZINC000486373800 901540591 /nfs/dbraw/zinc/54/05/91/901540591.db2.gz ZGTVXEDFTUZBJD-KXBFYZLASA-N -1 1 416.543 4.322 20 0 HIADMM O=C(Cc1ccc(F)cc1Cl)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000486822042 901875054 /nfs/dbraw/zinc/87/50/54/901875054.db2.gz NWWWCYKQJWIPOG-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488243075 902718113 /nfs/dbraw/zinc/71/81/13/902718113.db2.gz KJPCYMMMBNIMGH-NSHDSACASA-N -1 1 420.289 4.349 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1CO ZINC000488263050 902734509 /nfs/dbraw/zinc/73/45/09/902734509.db2.gz MDMZMSIALAKHSA-UHFFFAOYSA-N -1 1 409.813 4.051 20 0 HIADMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000488298043 902758727 /nfs/dbraw/zinc/75/87/27/902758727.db2.gz LVTWNQWJPLRQMF-UHFFFAOYSA-N -1 1 420.840 4.218 20 0 HIADMM CC(=O)Nc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000488462268 902836403 /nfs/dbraw/zinc/83/64/03/902836403.db2.gz LVFKMXFOOQRQFX-UHFFFAOYSA-N -1 1 404.385 4.053 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCC(F)(F)C3)cc2)c1 ZINC000488967942 903098897 /nfs/dbraw/zinc/09/88/97/903098897.db2.gz CBRPVENMYXXLCB-SFHVURJKSA-N -1 1 422.497 4.412 20 0 HIADMM COc1cc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc(Cl)c1[O-] ZINC000506019650 914696410 /nfs/dbraw/zinc/69/64/10/914696410.db2.gz NBNRGTIULJHCKJ-UHFFFAOYSA-N -1 1 400.784 4.184 20 0 HIADMM CSC[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000489292869 903315069 /nfs/dbraw/zinc/31/50/69/903315069.db2.gz JUOFMBPXOFZGSW-SFHVURJKSA-N -1 1 418.584 4.072 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(CCC(F)(F)F)c2)c(Cl)c1 ZINC000489547171 903455902 /nfs/dbraw/zinc/45/59/02/903455902.db2.gz CUEAHBWLMJCAPS-UHFFFAOYSA-N -1 1 407.797 4.334 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 ZINC000489737765 903567468 /nfs/dbraw/zinc/56/74/68/903567468.db2.gz MJTOYWJNOVPCJN-UHFFFAOYSA-N -1 1 400.504 4.075 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2COc2ccccc2)c(Cl)c1 ZINC000489759075 903584625 /nfs/dbraw/zinc/58/46/25/903584625.db2.gz XFASEEAGKDWTJK-UHFFFAOYSA-N -1 1 417.870 4.418 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000490196011 903820958 /nfs/dbraw/zinc/82/09/58/903820958.db2.gz XEZWLLXMMXQKOK-FPOVZHCZSA-N -1 1 416.525 4.328 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000490343943 903937633 /nfs/dbraw/zinc/93/76/33/903937633.db2.gz ITIJWRWZWBJYTJ-UHFFFAOYSA-N -1 1 412.515 4.010 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C(C)C)nc1-c1ccccc1 ZINC000490464360 904025473 /nfs/dbraw/zinc/02/54/73/904025473.db2.gz NZECQLANSQKLBI-INIZCTEOSA-N -1 1 411.527 4.309 20 0 HIADMM Cc1cccc(O)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000490745194 904205084 /nfs/dbraw/zinc/20/50/84/904205084.db2.gz LKPKWVIDFDAFIF-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM CC(C)Oc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000490907451 904311516 /nfs/dbraw/zinc/31/15/16/904311516.db2.gz BFNWBKLIJKWHDU-UHFFFAOYSA-N -1 1 424.522 4.205 20 0 HIADMM CC[C@@H]1C[C@@]1(NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cccc(C)c1 ZINC000506165953 914830403 /nfs/dbraw/zinc/83/04/03/914830403.db2.gz GQNSQFJDNVVLTB-CLOONOSVSA-N -1 1 416.525 4.235 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000491579195 904659867 /nfs/dbraw/zinc/65/98/67/904659867.db2.gz ODEWFIQVIUWKAK-QMMMGPOBSA-N -1 1 411.833 4.079 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cccc(Cl)c1Br ZINC000491613814 904677639 /nfs/dbraw/zinc/67/76/39/904677639.db2.gz VJIUYKHFPOHMLE-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1 ZINC000491722120 904690161 /nfs/dbraw/zinc/69/01/61/904690161.db2.gz WDYGKSMEXYXBRL-UHFFFAOYSA-N -1 1 420.494 4.379 20 0 HIADMM CCN(Cc1ccncc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000492015330 904760913 /nfs/dbraw/zinc/76/09/13/904760913.db2.gz XRJAHPBRIHODRE-UHFFFAOYSA-N -1 1 423.538 4.162 20 0 HIADMM COc1ccccc1[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccco1 ZINC000492034308 904769008 /nfs/dbraw/zinc/76/90/08/904769008.db2.gz PXHKOGUVGUSUKZ-GOSISDBHSA-N -1 1 402.244 4.276 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000506224377 914851446 /nfs/dbraw/zinc/85/14/46/914851446.db2.gz QDTKOEJCBZBLSV-UHFFFAOYSA-N -1 1 406.486 4.127 20 0 HIADMM CSC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCC1 ZINC000493706993 905199707 /nfs/dbraw/zinc/19/97/07/905199707.db2.gz MVGQLCYBSAMFOS-UHFFFAOYSA-N -1 1 404.557 4.328 20 0 HIADMM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000494110669 905457918 /nfs/dbraw/zinc/45/79/18/905457918.db2.gz SWTBYHVRMQRTAB-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000494536591 905818814 /nfs/dbraw/zinc/81/88/14/905818814.db2.gz LSKIWQSGTXJUCB-UHFFFAOYSA-N -1 1 404.822 4.091 20 0 HIADMM CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ncc(C)cc2[O-])c1 ZINC000494920668 906094128 /nfs/dbraw/zinc/09/41/28/906094128.db2.gz HFFWYJZEKZGFRY-KRWDZBQOSA-N -1 1 403.482 4.458 20 0 HIADMM COC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000495092793 906233125 /nfs/dbraw/zinc/23/31/25/906233125.db2.gz JCWIBEINYOFVTI-UHFFFAOYSA-N -1 1 414.886 4.034 20 0 HIADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000495098900 906237882 /nfs/dbraw/zinc/23/78/82/906237882.db2.gz CSNLBIFFKTVRSW-AWEZNQCLSA-N -1 1 414.449 4.338 20 0 HIADMM CN(Cc1cccc2[nH]ccc21)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000495098981 906238445 /nfs/dbraw/zinc/23/84/45/906238445.db2.gz DDIZMBIWFHJKBC-UHFFFAOYSA-N -1 1 419.506 4.241 20 0 HIADMM Cc1cccc(Oc2ccccc2NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000512583332 921249091 /nfs/dbraw/zinc/24/90/91/921249091.db2.gz RYACCRRVARHMAV-UHFFFAOYSA-N -1 1 413.451 4.052 20 0 HIADMM C[C@]1(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])C[C@H]2C[C@H]2C1 ZINC000497092197 906803322 /nfs/dbraw/zinc/80/33/22/906803322.db2.gz DZJYQOJBBTUMAP-PPTBJCHFSA-N -1 1 420.918 4.221 20 0 HIADMM COc1cccc2c1CCCN2C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000497515747 907005416 /nfs/dbraw/zinc/00/54/16/907005416.db2.gz FDCFSTLUJLLGOH-UHFFFAOYSA-N -1 1 422.506 4.089 20 0 HIADMM CCCn1ncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C1CC1 ZINC000497910339 907382966 /nfs/dbraw/zinc/38/29/66/907382966.db2.gz DXTJCOQBCGISAP-UHFFFAOYSA-N -1 1 424.526 4.224 20 0 HIADMM CCCn1ncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C1CC1 ZINC000497920750 907390129 /nfs/dbraw/zinc/39/01/29/907390129.db2.gz BORDSGWWVMHYFX-UHFFFAOYSA-N -1 1 424.526 4.224 20 0 HIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000497986854 907465417 /nfs/dbraw/zinc/46/54/17/907465417.db2.gz RQRMRTOOOLIDAI-UHFFFAOYSA-N -1 1 422.417 4.118 20 0 HIADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498200346 907732908 /nfs/dbraw/zinc/73/29/08/907732908.db2.gz IOLBLDVUNTYXPF-UZLBHIALSA-N -1 1 402.516 4.021 20 0 HIADMM CCc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000498214643 907745946 /nfs/dbraw/zinc/74/59/46/907745946.db2.gz VTNNZSNBSNVSPC-UHFFFAOYSA-N -1 1 415.540 4.433 20 0 HIADMM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498223425 907753284 /nfs/dbraw/zinc/75/32/84/907753284.db2.gz KGPGOQSRFWOPPH-NRFANRHFSA-N -1 1 424.526 4.497 20 0 HIADMM CN(CCc1cccs1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498229092 907759573 /nfs/dbraw/zinc/75/95/73/907759573.db2.gz QSMCCUVDBVJSGQ-UHFFFAOYSA-N -1 1 415.540 4.255 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCc1cccc(F)c1 ZINC000498276031 907812212 /nfs/dbraw/zinc/81/22/12/907812212.db2.gz OAXOMNJEEIPLCY-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000498322896 907839913 /nfs/dbraw/zinc/83/99/13/907839913.db2.gz BAQOUMJWEPBSRJ-MRXNPFEDSA-N -1 1 412.486 4.460 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000498399812 907882611 /nfs/dbraw/zinc/88/26/11/907882611.db2.gz YOYWRFKXYCJVOY-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)cc1 ZINC000498406756 907886433 /nfs/dbraw/zinc/88/64/33/907886433.db2.gz DDAXEACOGJSLCJ-LIRRHRJNSA-N -1 1 404.507 4.243 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1Oc1ccc(C)nn1 ZINC000498486353 907957947 /nfs/dbraw/zinc/95/79/47/907957947.db2.gz ZKSJFTDAHVMMRR-UHFFFAOYSA-N -1 1 423.853 4.179 20 0 HIADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C ZINC000499261265 908637756 /nfs/dbraw/zinc/63/77/56/908637756.db2.gz BZGVDYZGHSLGFA-UHFFFAOYSA-N -1 1 424.400 4.149 20 0 HIADMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000512958137 921438130 /nfs/dbraw/zinc/43/81/30/921438130.db2.gz BNKOTGLSSICWIH-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM CCN(CCc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000499621545 908858558 /nfs/dbraw/zinc/85/85/58/908858558.db2.gz JBHIMPBAPUZUBG-UHFFFAOYSA-N -1 1 414.552 4.254 20 0 HIADMM CCC[C@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000499814973 908944832 /nfs/dbraw/zinc/94/48/32/908944832.db2.gz SHMCOQSCXXGUJG-HNNXBMFYSA-N -1 1 418.515 4.023 20 0 HIADMM Cc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)s1 ZINC000499830171 908961979 /nfs/dbraw/zinc/96/19/79/908961979.db2.gz YSWCCSCEUQHMLL-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000500208234 909695539 /nfs/dbraw/zinc/69/55/39/909695539.db2.gz RCFKUUAHMIBZBU-UHFFFAOYSA-N -1 1 416.355 4.336 20 0 HIADMM Cc1cc(CS(=O)(=O)[N-]C2(c3noc(C4CCCCC4)n3)CCCCCC2)on1 ZINC000513061308 921518324 /nfs/dbraw/zinc/51/83/24/921518324.db2.gz KUSXFWJIYDBZMB-UHFFFAOYSA-N -1 1 422.551 4.083 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2C)cc1C(F)(F)F ZINC000500313033 909775553 /nfs/dbraw/zinc/77/55/53/909775553.db2.gz GCIGFFDXLVGORK-UHFFFAOYSA-N -1 1 414.449 4.261 20 0 HIADMM Cc1ccc(F)c(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1F ZINC000501126100 910308531 /nfs/dbraw/zinc/30/85/31/910308531.db2.gz VGKLKHNZSPPIAJ-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC(C)C)C3CC3)cc2)cc1 ZINC000513128963 921571979 /nfs/dbraw/zinc/57/19/79/921571979.db2.gz ILKSICDKPKKHAC-UHFFFAOYSA-N -1 1 416.543 4.147 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000501816025 910864345 /nfs/dbraw/zinc/86/43/45/910864345.db2.gz DKFKARJVBRJBLO-UHFFFAOYSA-N -1 1 400.481 4.004 20 0 HIADMM O=C(NCC1CCC(F)(F)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000501836205 910878041 /nfs/dbraw/zinc/87/80/41/910878041.db2.gz ISTVUULVWWBLNL-UHFFFAOYSA-N -1 1 408.470 4.043 20 0 HIADMM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccc(Br)c([O-])c2)no1 ZINC000501838909 910879111 /nfs/dbraw/zinc/87/91/11/910879111.db2.gz GQAIPGGKEGTPJT-CQSZACIVSA-N -1 1 408.296 4.419 20 0 HIADMM Cc1csc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)n1 ZINC000502423399 911401687 /nfs/dbraw/zinc/40/16/87/911401687.db2.gz REXVOARJEFGAMS-ZETCQYMHSA-N -1 1 413.721 4.046 20 0 HIADMM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1c(Cl)cc(F)cc1Br ZINC000502460471 911447427 /nfs/dbraw/zinc/44/74/27/911447427.db2.gz QIQKZSNWVKUCIV-GFCCVEGCSA-N -1 1 422.728 4.367 20 0 HIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000502491317 911488153 /nfs/dbraw/zinc/48/81/53/911488153.db2.gz HOLWVDQWEWVNGJ-UHFFFAOYSA-N -1 1 400.476 4.364 20 0 HIADMM CCC(CC)(NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000502706652 911740143 /nfs/dbraw/zinc/74/01/43/911740143.db2.gz QGHUZTOJVDZZLZ-UHFFFAOYSA-N -1 1 424.932 4.168 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000502770092 911793146 /nfs/dbraw/zinc/79/31/46/911793146.db2.gz YCZCPKXZRHCXGO-INIZCTEOSA-N -1 1 412.486 4.426 20 0 HIADMM Cc1oc(C2CC2)nc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000506478903 915081880 /nfs/dbraw/zinc/08/18/80/915081880.db2.gz CJTFDCONKATKLY-UHFFFAOYSA-N -1 1 411.483 4.222 20 0 HIADMM CCOC1(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000506479452 915083622 /nfs/dbraw/zinc/08/36/22/915083622.db2.gz XJDBVXDKCCDWNL-UHFFFAOYSA-N -1 1 402.516 4.084 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)Cc2ccccc2-c2ccccc2)c(=O)[n-]1 ZINC000506543370 915188376 /nfs/dbraw/zinc/18/83/76/915188376.db2.gz WFSYOVRUHOJEKA-UHFFFAOYSA-N -1 1 407.539 4.471 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000506552765 915198875 /nfs/dbraw/zinc/19/88/75/915198875.db2.gz NVHFYJMDKQONCX-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)c1 ZINC000506662781 915339156 /nfs/dbraw/zinc/33/91/56/915339156.db2.gz OFYFWHJZHUFZLR-UHFFFAOYSA-N -1 1 416.524 4.025 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC)c2)c1C ZINC000506704542 915378753 /nfs/dbraw/zinc/37/87/53/915378753.db2.gz CEMSDRVNTGENSB-UHFFFAOYSA-N -1 1 418.515 4.020 20 0 HIADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000506705240 915381190 /nfs/dbraw/zinc/38/11/90/915381190.db2.gz AWURFCDBJZHFOJ-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM COCCOc1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)ccc1OC ZINC000506724716 915406588 /nfs/dbraw/zinc/40/65/88/915406588.db2.gz DEQXJGRGBQLLIS-UHFFFAOYSA-N -1 1 413.495 4.188 20 0 HIADMM CCc1[nH]ccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000507142566 915887352 /nfs/dbraw/zinc/88/73/52/915887352.db2.gz JXPYABPJUUZJHZ-UHFFFAOYSA-N -1 1 421.881 4.423 20 0 HIADMM Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4cccc([O-])c4Cl)CC3)n2)cc1 ZINC000507361328 916117367 /nfs/dbraw/zinc/11/73/67/916117367.db2.gz VPKMTAVRYBTRQA-MRXNPFEDSA-N -1 1 412.921 4.283 20 0 HIADMM COc1cc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)ccc1C ZINC000507480414 916249931 /nfs/dbraw/zinc/24/99/31/916249931.db2.gz AMLHQHIBGZMKKC-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccc(F)cc3)c2)cc1 ZINC000507619944 916379933 /nfs/dbraw/zinc/37/99/33/916379933.db2.gz IVPVGQFYGNASHC-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(COc4ccc(F)cc4)c3)ccc2[nH]1 ZINC000507636444 916394838 /nfs/dbraw/zinc/39/48/38/916394838.db2.gz OFQJGUSADKDMTJ-UHFFFAOYSA-N -1 1 424.453 4.047 20 0 HIADMM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000507670654 916436597 /nfs/dbraw/zinc/43/65/97/916436597.db2.gz WTRWCZOOLKYJGE-UHFFFAOYSA-N -1 1 409.496 4.441 20 0 HIADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)ccc1C ZINC000507963878 916818620 /nfs/dbraw/zinc/81/86/20/916818620.db2.gz ILAFXTWAAKYYDH-UHFFFAOYSA-N -1 1 414.483 4.244 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1cccc2ncccc21 ZINC000508036904 916865996 /nfs/dbraw/zinc/86/59/96/916865996.db2.gz RSUZDPONARKGII-UHFFFAOYSA-N -1 1 419.510 4.021 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCc4cc(F)ccc43)c2)c1 ZINC000508203537 917021981 /nfs/dbraw/zinc/02/19/81/917021981.db2.gz IJVBOGAAZROPMT-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000508213220 917030865 /nfs/dbraw/zinc/03/08/65/917030865.db2.gz CHFAGARCIROIEY-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM C[C@H]1CCC[C@@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000508270279 917087411 /nfs/dbraw/zinc/08/74/11/917087411.db2.gz GTMQUVKJYWJSOB-JKSUJKDBSA-N -1 1 404.507 4.183 20 0 HIADMM O=C([N-]c1ccccc1SC1CCCC1)c1nc2ncc(Br)cn2n1 ZINC000508976418 917730710 /nfs/dbraw/zinc/73/07/10/917730710.db2.gz JSGBPDGWHPRRFQ-UHFFFAOYSA-N -1 1 418.320 4.174 20 0 HIADMM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000509091901 917833311 /nfs/dbraw/zinc/83/33/11/917833311.db2.gz CWVMZPGBTGCSNT-LSDHHAIUSA-N -1 1 420.531 4.125 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)c1 ZINC000509101736 917841315 /nfs/dbraw/zinc/84/13/15/917841315.db2.gz AUVSGQQWDONDQN-UHFFFAOYSA-N -1 1 414.556 4.194 20 0 HIADMM O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccc([O-])c(Cl)c1 ZINC000509172830 917885775 /nfs/dbraw/zinc/88/57/75/917885775.db2.gz PFZWNYHXRLIHOD-UHFFFAOYSA-N -1 1 408.841 4.214 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)c1 ZINC000509251308 917945363 /nfs/dbraw/zinc/94/53/63/917945363.db2.gz ZNIDRGHMUJKLDP-UHFFFAOYSA-N -1 1 402.463 4.087 20 0 HIADMM O=C(CSc1cccc2cccc(Cl)c21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509294114 917975429 /nfs/dbraw/zinc/97/54/29/917975429.db2.gz NXPONMPTVOJOIA-UHFFFAOYSA-N -1 1 403.891 4.080 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1cc(F)ccc1Br ZINC000509382208 918047892 /nfs/dbraw/zinc/04/78/92/918047892.db2.gz BJQRYAQAXRIHQN-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC)c(F)c3)c2)cn1 ZINC000509392963 918059957 /nfs/dbraw/zinc/05/99/57/918059957.db2.gz UVLROVPWLNDOCK-UHFFFAOYSA-N -1 1 402.447 4.014 20 0 HIADMM CO[C@H](C)c1nc(=NCCCCSc2ccccc2Br)s[n-]1 ZINC000509541142 918190958 /nfs/dbraw/zinc/19/09/58/918190958.db2.gz OJAHNVWDGCAKBS-LLVKDONJSA-N -1 1 402.383 4.414 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nnc(C)s3)cc2C)cc1 ZINC000509544951 918194240 /nfs/dbraw/zinc/19/42/40/918194240.db2.gz XTRALHHCFYMGPA-UHFFFAOYSA-N -1 1 419.553 4.310 20 0 HIADMM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c(C(F)(F)F)c1 ZINC000509613652 918260641 /nfs/dbraw/zinc/26/06/41/918260641.db2.gz NTNHDHSKFQAHSX-UHFFFAOYSA-N -1 1 421.368 4.051 20 0 HIADMM Cc1cccc([C@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000509770007 918383093 /nfs/dbraw/zinc/38/30/93/918383093.db2.gz HLSZLWBFJOPNTI-OAQYLSRUSA-N -1 1 402.498 4.157 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1ccc(F)cc1)C(C)C ZINC000509919324 918518263 /nfs/dbraw/zinc/51/82/63/918518263.db2.gz YEIJNRKEXGZYOR-UHFFFAOYSA-N -1 1 408.477 4.062 20 0 HIADMM CCOC(=O)c1c[n-]c(NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)n1 ZINC000510012076 918593171 /nfs/dbraw/zinc/59/31/71/918593171.db2.gz FSCLQRNXELIDAD-UHFFFAOYSA-N -1 1 411.270 4.269 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)cc1O ZINC000510069234 918637392 /nfs/dbraw/zinc/63/73/92/918637392.db2.gz GLLKKIOXNHVKRJ-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000510161334 918713865 /nfs/dbraw/zinc/71/38/65/918713865.db2.gz DMPHCSZQFXRYPT-UHFFFAOYSA-N -1 1 414.270 4.065 20 0 HIADMM CCC(CC)(C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(Cl)cc1 ZINC000510958262 919496622 /nfs/dbraw/zinc/49/66/22/919496622.db2.gz AOIIMQKTYIAXOJ-UHFFFAOYSA-N -1 1 400.910 4.079 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)cc1 ZINC000511131410 919746924 /nfs/dbraw/zinc/74/69/24/919746924.db2.gz QHWWDNKOFFJAKV-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4[nH]cnc4c3)cc2)cc1C ZINC000511292709 919888931 /nfs/dbraw/zinc/88/89/31/919888931.db2.gz YAUICROMEFASNN-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000511297080 919893550 /nfs/dbraw/zinc/89/35/50/919893550.db2.gz RQSPEWYYWMMHEH-UHFFFAOYSA-N -1 1 404.532 4.369 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]cnc4c3)cc2)c1C ZINC000511340350 919932928 /nfs/dbraw/zinc/93/29/28/919932928.db2.gz GBFBVLWAFUEFRM-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CCN(C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)[C@@H](C)c1cc2ccccc2o1 ZINC000511681226 920345630 /nfs/dbraw/zinc/34/56/30/920345630.db2.gz OKJLTFTYMGTDBG-INIZCTEOSA-N -1 1 406.486 4.340 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(OCC(F)(F)F)c1 ZINC000511738579 920411254 /nfs/dbraw/zinc/41/12/54/920411254.db2.gz CUTSMCAUUCCSOX-UHFFFAOYSA-N -1 1 417.405 4.052 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000511902507 920639728 /nfs/dbraw/zinc/63/97/28/920639728.db2.gz VVQHUTZVCVGKNR-UHFFFAOYSA-N -1 1 424.407 4.052 20 0 HIADMM COc1ccc([C@H]([N-]S(=O)(=O)c2c(F)cccc2F)c2ccc(F)cc2)cc1 ZINC000511997113 920768124 /nfs/dbraw/zinc/76/81/24/920768124.db2.gz OYQSNRFCVVZFNB-LJQANCHMSA-N -1 1 407.413 4.180 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000512104510 920862653 /nfs/dbraw/zinc/86/26/53/920862653.db2.gz IRNGFKKMQWTNNF-UHFFFAOYSA-N -1 1 407.499 4.110 20 0 HIADMM CCc1sc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)nc1-c1ccccc1 ZINC000512218077 920967731 /nfs/dbraw/zinc/96/77/31/920967731.db2.gz TXJRJLGCFADACS-UHFFFAOYSA-N -1 1 421.526 4.309 20 0 HIADMM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513730055 922049171 /nfs/dbraw/zinc/04/91/71/922049171.db2.gz IPAMQEMDSJZGHC-UTKZUKDTSA-N -1 1 416.543 4.267 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4cc(F)ccc43)c2)cc1 ZINC000513729518 922050053 /nfs/dbraw/zinc/05/00/53/922050053.db2.gz YVKYBDZIESKIGY-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000513811665 922135534 /nfs/dbraw/zinc/13/55/34/922135534.db2.gz VXLOEOPKXDSSOD-CQSZACIVSA-N -1 1 413.499 4.225 20 0 HIADMM Cc1ccc([C@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000514140393 922474348 /nfs/dbraw/zinc/47/43/48/922474348.db2.gz OQLCPTADQOIVQT-GOSISDBHSA-N -1 1 408.527 4.219 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)NC1CC1 ZINC000514518693 922669708 /nfs/dbraw/zinc/66/97/08/922669708.db2.gz KWFHFJHDALOTNF-UHFFFAOYSA-N -1 1 400.287 4.078 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2cccs2)Cc2cccs2)c(=O)[n-]1 ZINC000514520633 922672100 /nfs/dbraw/zinc/67/21/00/922672100.db2.gz JUOYIHTVDQKMJO-UHFFFAOYSA-N -1 1 419.597 4.497 20 0 HIADMM O=C(CSc1nc([O-])cc(=O)n1C1CCCC1)Nc1c(Cl)cccc1Cl ZINC000514529998 922679115 /nfs/dbraw/zinc/67/91/15/922679115.db2.gz WSYRDHTZZJROAF-UHFFFAOYSA-N -1 1 414.314 4.102 20 0 HIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3cc(Cl)cc(COC)c3)c2C1 ZINC000514895675 922837256 /nfs/dbraw/zinc/83/72/56/922837256.db2.gz DGFASWIODABHLG-UHFFFAOYSA-N -1 1 408.951 4.403 20 0 HIADMM Cc1ccc(-c2nc(CS(=O)(=O)c3nc(-c4ccc(Cl)cc4)n[n-]3)co2)cc1 ZINC000515034489 922887006 /nfs/dbraw/zinc/88/70/06/922887006.db2.gz AIDVUMKUJQFQNN-UHFFFAOYSA-N -1 1 414.874 4.062 20 0 HIADMM Cc1ccc(-c2nc(CS(=O)(=O)c3n[n-]c(-c4ccc(Cl)cc4)n3)co2)cc1 ZINC000515034489 922887011 /nfs/dbraw/zinc/88/70/11/922887011.db2.gz AIDVUMKUJQFQNN-UHFFFAOYSA-N -1 1 414.874 4.062 20 0 HIADMM CCc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)sc1C ZINC000515425252 923094675 /nfs/dbraw/zinc/09/46/75/923094675.db2.gz XVWUBOKHXJNYQO-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM CCC(=O)Nc1cccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000515482916 923129902 /nfs/dbraw/zinc/12/99/02/923129902.db2.gz PXWSCHKPAJVONG-UHFFFAOYSA-N -1 1 423.494 4.088 20 0 HIADMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000515623722 923223432 /nfs/dbraw/zinc/22/34/32/923223432.db2.gz ZXRNWXLELCOKJG-UHFFFAOYSA-N -1 1 417.284 4.277 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)c3ccccc3)cc2)cc1F ZINC000515652222 923244187 /nfs/dbraw/zinc/24/41/87/923244187.db2.gz CRHAJQVGUWUWPJ-UHFFFAOYSA-N -1 1 412.486 4.140 20 0 HIADMM [O-]C(=Cc1csc2nc(-c3ccccc3)cn12)Nc1nc(-c2ccccc2)ns1 ZINC000515703679 923285798 /nfs/dbraw/zinc/28/57/98/923285798.db2.gz TUUWYUMDRCQNLQ-UHFFFAOYSA-N -1 1 417.519 4.184 20 0 HIADMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000516017211 923503012 /nfs/dbraw/zinc/50/30/12/923503012.db2.gz LTXAEDNFJLPHOW-UHFFFAOYSA-N -1 1 404.532 4.030 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCc4occc4C3)cc2)c1 ZINC000516508238 923767023 /nfs/dbraw/zinc/76/70/23/923767023.db2.gz CQCYNOMIFYZBPK-UHFFFAOYSA-N -1 1 424.522 4.286 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccc2)cc1 ZINC000517158937 924030456 /nfs/dbraw/zinc/03/04/56/924030456.db2.gz NMTGCDKGLPIDLD-UHFFFAOYSA-N -1 1 424.444 4.486 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3(C)CCCC3)cc2)ccc1F ZINC000517490775 924227620 /nfs/dbraw/zinc/22/76/20/924227620.db2.gz RKGZYKZQGLWTHO-UHFFFAOYSA-N -1 1 404.507 4.245 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)CC)cc2)cc1 ZINC000517722319 926813341 /nfs/dbraw/zinc/81/33/41/926813341.db2.gz GRYMDGQYYVCFES-UHFFFAOYSA-N -1 1 404.532 4.195 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc4n[nH]cc4cc3C)c2)cc1 ZINC000517863567 926867592 /nfs/dbraw/zinc/86/75/92/926867592.db2.gz AIXAGNNFJIJTAR-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CC(C)(C)c1ncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000517866788 926869401 /nfs/dbraw/zinc/86/94/01/926869401.db2.gz WMBXJIPRDPWMFW-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3NC(=O)C[C@@H]3C=CCC3)ccc2O1 ZINC000518075099 927007729 /nfs/dbraw/zinc/00/77/29/927007729.db2.gz LQLNWHMOIQIAJQ-HZPDHXFCSA-N -1 1 412.511 4.106 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000518248563 927106202 /nfs/dbraw/zinc/10/62/02/927106202.db2.gz PDHLZMVBRZEJQZ-QHCPKHFHSA-N -1 1 420.900 4.153 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3(C)CCCC3)cc2)cc1OC ZINC000518289583 927147963 /nfs/dbraw/zinc/14/79/63/927147963.db2.gz ZOIDHVOHYGLLSC-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM O=C(CC[C@@H]1CCCCO1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000518390838 927236747 /nfs/dbraw/zinc/23/67/47/927236747.db2.gz OXZONOQBQOGUGW-INIZCTEOSA-N -1 1 424.469 4.053 20 0 HIADMM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C)C(C)(C)C ZINC000518481294 927299863 /nfs/dbraw/zinc/29/98/63/927299863.db2.gz QVVNTRDLRSFODR-LJQANCHMSA-N -1 1 406.523 4.489 20 0 HIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2)n1 ZINC000518517529 927321239 /nfs/dbraw/zinc/32/12/39/927321239.db2.gz SGWQXSXUBWEYSK-UHFFFAOYSA-N -1 1 415.368 4.312 20 0 HIADMM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000518547432 927338823 /nfs/dbraw/zinc/33/88/23/927338823.db2.gz GEWBPBHDNGBUBX-VXKWHMMOSA-N -1 1 422.506 4.238 20 0 HIADMM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000518547431 927339195 /nfs/dbraw/zinc/33/91/95/927339195.db2.gz GEWBPBHDNGBUBX-FGZHOGPDSA-N -1 1 422.506 4.238 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c(=O)[n-]1 ZINC000518665780 927417827 /nfs/dbraw/zinc/41/78/27/927417827.db2.gz PBOCJDYNZKSRLJ-LJQANCHMSA-N -1 1 410.543 4.380 20 0 HIADMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000518824754 927521501 /nfs/dbraw/zinc/52/15/01/927521501.db2.gz MIIZSZVXCUEXNG-UHFFFAOYSA-N -1 1 401.456 4.080 20 0 HIADMM COc1cc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)ccc1OCc1ccncc1 ZINC000518836845 927535967 /nfs/dbraw/zinc/53/59/67/927535967.db2.gz SMYKEUNSSKRDNX-CYBMUJFWSA-N -1 1 414.408 4.144 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H]3C(C)C)ccc2C)cc1 ZINC000518855378 927560105 /nfs/dbraw/zinc/56/01/05/927560105.db2.gz BSZLTFBLGIXJSY-FQEVSTJZSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4cccnc4)no3)cc2)c1C ZINC000518856404 927562428 /nfs/dbraw/zinc/56/24/28/927562428.db2.gz YRHQSVICMQDWCL-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000518881314 927592637 /nfs/dbraw/zinc/59/26/37/927592637.db2.gz AVGXNXTYIMQXOV-UHFFFAOYSA-N -1 1 401.344 4.311 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C ZINC000519059528 927735290 /nfs/dbraw/zinc/73/52/90/927735290.db2.gz AJNFFALALZJCNH-CQSZACIVSA-N -1 1 404.507 4.115 20 0 HIADMM Cc1ccc2nc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)sc2c1 ZINC000519085901 927760232 /nfs/dbraw/zinc/76/02/32/927760232.db2.gz GEYSSRILKWFIDC-UHFFFAOYSA-N -1 1 405.483 4.042 20 0 HIADMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000519126314 927791797 /nfs/dbraw/zinc/79/17/97/927791797.db2.gz ZJDJJTVCBBKZTJ-DKSSEZFCSA-N -1 1 404.304 4.236 20 0 HIADMM CC(C)(CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C(F)(F)F ZINC000519187229 927816642 /nfs/dbraw/zinc/81/66/42/927816642.db2.gz STSIXHMGGHYUFN-UHFFFAOYSA-N -1 1 416.346 4.241 20 0 HIADMM CC(=O)c1csc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000519313370 927876426 /nfs/dbraw/zinc/87/64/26/927876426.db2.gz CNIDTJMOZJGITG-UHFFFAOYSA-N -1 1 400.481 4.004 20 0 HIADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000519327407 927882885 /nfs/dbraw/zinc/88/28/85/927882885.db2.gz AJESYRLEIHZTBE-OAQYLSRUSA-N -1 1 410.470 4.044 20 0 HIADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000519457018 927963457 /nfs/dbraw/zinc/96/34/57/927963457.db2.gz BKLDMMJSZYRCKK-LJQANCHMSA-N -1 1 422.506 4.244 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCCOc2ccccc2-c2ccccc2)c(=O)[n-]1 ZINC000519986097 928211688 /nfs/dbraw/zinc/21/16/88/928211688.db2.gz RDOZTLQWQLLRRM-UHFFFAOYSA-N -1 1 423.538 4.007 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000519994819 928221638 /nfs/dbraw/zinc/22/16/38/928221638.db2.gz VRFGHQKKVWRJGP-ZDUSSCGKSA-N -1 1 414.449 4.343 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000519994818 928222706 /nfs/dbraw/zinc/22/27/06/928222706.db2.gz VRFGHQKKVWRJGP-CYBMUJFWSA-N -1 1 414.449 4.343 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3CCC(C)C)cc2C[C@@H]1C ZINC000520078371 928297583 /nfs/dbraw/zinc/29/75/83/928297583.db2.gz ZMJHFFYXYWZBAL-INIZCTEOSA-N -1 1 400.544 4.374 20 0 HIADMM CC(C)(C[N-]S(=O)(=O)c1sccc1Br)c1cccc(Cl)c1 ZINC000520154513 928347584 /nfs/dbraw/zinc/34/75/84/928347584.db2.gz CLXCGUQLCAIDNB-UHFFFAOYSA-N -1 1 408.770 4.420 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(Cc4cccs4)no3)c2)c1 ZINC000520285535 928446591 /nfs/dbraw/zinc/44/65/91/928446591.db2.gz MAUBCYLSELHRIK-UHFFFAOYSA-N -1 1 411.508 4.498 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1 ZINC000520614473 928674454 /nfs/dbraw/zinc/67/44/54/928674454.db2.gz OJFZSMJKXDAARS-MRXNPFEDSA-N -1 1 400.544 4.285 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000520627689 928683969 /nfs/dbraw/zinc/68/39/69/928683969.db2.gz TWFMVRJRQYTXKO-UHFFFAOYSA-N -1 1 412.792 4.123 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1Cc2ccccc2C1 ZINC000520687696 928735796 /nfs/dbraw/zinc/73/57/96/928735796.db2.gz QEKJIRWOXVFUOX-UHFFFAOYSA-N -1 1 410.470 4.091 20 0 HIADMM Cc1ccccc1C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000520734362 928784077 /nfs/dbraw/zinc/78/40/77/928784077.db2.gz UEMKPGNIFFXJPS-SFHVURJKSA-N -1 1 408.523 4.157 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3F)c2)c1 ZINC000520845217 928841359 /nfs/dbraw/zinc/84/13/59/928841359.db2.gz QZHYGWDDPITRIE-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)Cc2ccccc2)cc1F ZINC000521030190 928945003 /nfs/dbraw/zinc/94/50/03/928945003.db2.gz RKTVJNBUXDIYLZ-UHFFFAOYSA-N -1 1 400.475 4.272 20 0 HIADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000521028898 928945142 /nfs/dbraw/zinc/94/51/42/928945142.db2.gz LTUFUAAJQDELFT-UHFFFAOYSA-N -1 1 403.729 4.278 20 0 HIADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000521082410 928980670 /nfs/dbraw/zinc/98/06/70/928980670.db2.gz AYGUFQCPCIZMCC-LJQANCHMSA-N -1 1 420.513 4.217 20 0 HIADMM Cc1ccc(OCc2ccccc2)c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000521129314 929011777 /nfs/dbraw/zinc/01/17/77/929011777.db2.gz MXTSTEXKLIRVAB-UHFFFAOYSA-N -1 1 411.479 4.002 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1NC(=O)c1ccncc1 ZINC000521414476 929210354 /nfs/dbraw/zinc/21/03/54/929210354.db2.gz OXFUYGNDGTUGLD-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM C[C@H]1CCC[C@H](OCc2cccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)c2)C1 ZINC000521728582 929393176 /nfs/dbraw/zinc/39/31/76/929393176.db2.gz HTLZMUFEFBAQBB-BBRMVZONSA-N -1 1 409.529 4.342 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC3(C)CCCC3)c2)cc1 ZINC000521770707 929431608 /nfs/dbraw/zinc/43/16/08/929431608.db2.gz HKQYCSJSHPOETD-UHFFFAOYSA-N -1 1 416.543 4.196 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCCCCc2cccs2)c1 ZINC000521848541 929498235 /nfs/dbraw/zinc/49/82/35/929498235.db2.gz JGGVAPWFPTZJFC-UHFFFAOYSA-N -1 1 424.588 4.226 20 0 HIADMM COc1cc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)ccc1[N-]S(C)(=O)=O ZINC000521952441 929588061 /nfs/dbraw/zinc/58/80/61/929588061.db2.gz QQVQUJARHPRALT-CYBMUJFWSA-N -1 1 417.487 4.038 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@H]1C1CCC1 ZINC000524497142 929644980 /nfs/dbraw/zinc/64/49/80/929644980.db2.gz FGSJVRAXBKAKTE-NRFANRHFSA-N -1 1 416.518 4.340 20 0 HIADMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000524640913 929752339 /nfs/dbraw/zinc/75/23/39/929752339.db2.gz YWUSXMZISGKKGF-INIZCTEOSA-N -1 1 409.511 4.050 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)[C@H]3C)cc2)c1 ZINC000524654609 929766700 /nfs/dbraw/zinc/76/67/00/929766700.db2.gz ACSCGHAGEFQFBB-SJLPKXTDSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C(C)(C)C)c2)cc1 ZINC000524697610 929803416 /nfs/dbraw/zinc/80/34/16/929803416.db2.gz NCVMXFQUFYVDDJ-HXUWFJFHSA-N -1 1 400.544 4.447 20 0 HIADMM O=[S@@](Cc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1)c1ccccc1 ZINC000525019665 929978634 /nfs/dbraw/zinc/97/86/34/929978634.db2.gz ZXFADGDQXAYSEN-NDEPHWFRSA-N -1 1 422.531 4.343 20 0 HIADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Br)cc1Br ZINC000525018536 929979197 /nfs/dbraw/zinc/97/91/97/929979197.db2.gz CIAKSUAYFAQDQN-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000525019831 929980500 /nfs/dbraw/zinc/98/05/00/929980500.db2.gz BUVCQOOSOOOJIB-UHFFFAOYSA-N -1 1 415.433 4.265 20 0 HIADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525069387 930015505 /nfs/dbraw/zinc/01/55/05/930015505.db2.gz ZZIVDQGKAXFUSF-OXQOHEQNSA-N -1 1 402.516 4.021 20 0 HIADMM C[C@H]1Cc2ccccc2CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000525093232 930030480 /nfs/dbraw/zinc/03/04/80/930030480.db2.gz ZATGLHZWNOYQPV-KRWDZBQOSA-N -1 1 406.507 4.074 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC(C)(C)CC3)c2)cc1 ZINC000525258828 930114882 /nfs/dbraw/zinc/11/48/82/930114882.db2.gz QTMJDRHJBGBIJP-UHFFFAOYSA-N -1 1 400.544 4.448 20 0 HIADMM CC(C)(C)c1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cs1 ZINC000525583490 930345899 /nfs/dbraw/zinc/34/58/99/930345899.db2.gz BFZPOOOLGMYDNP-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM C[C@@H]1CCC[C@H](C)N(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000525618442 930365643 /nfs/dbraw/zinc/36/56/43/930365643.db2.gz VBWQSSFRXWDOFI-SJORKVTESA-N -1 1 418.534 4.206 20 0 HIADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)cc1 ZINC000525669968 930397804 /nfs/dbraw/zinc/39/78/04/930397804.db2.gz IESWNMJECHLRBI-UHFFFAOYSA-N -1 1 407.557 4.153 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)S[C@@H](C)C3)cc2)c1C ZINC000525719044 930414299 /nfs/dbraw/zinc/41/42/99/930414299.db2.gz RHZUFYNZYAIHMR-HOTGVXAUSA-N -1 1 418.584 4.070 20 0 HIADMM C[C@@H]1C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000525940467 930489962 /nfs/dbraw/zinc/48/99/62/930489962.db2.gz UTRMUCORAZOJBS-BETUJISGSA-N -1 1 412.433 4.129 20 0 HIADMM COc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc(Cl)c1[O-] ZINC000525953690 930493745 /nfs/dbraw/zinc/49/37/45/930493745.db2.gz VHPITPHXMSAPFD-UHFFFAOYSA-N -1 1 402.903 4.459 20 0 HIADMM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cs1 ZINC000526997726 930563660 /nfs/dbraw/zinc/56/36/60/930563660.db2.gz JBFXXQAPNVLMKV-UHFFFAOYSA-N -1 1 413.524 4.149 20 0 HIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)c(Br)c1)c1ccc2c(c1)COC2 ZINC000527285995 930626934 /nfs/dbraw/zinc/62/69/34/930626934.db2.gz LMMWGJDTURYHSE-UHFFFAOYSA-N -1 1 422.222 4.299 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)cc1C ZINC000530628819 930778649 /nfs/dbraw/zinc/77/86/49/930778649.db2.gz FIYBPOPCRXILLA-UHFFFAOYSA-N -1 1 417.462 4.261 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(Cl)c2SC(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530821614 930832218 /nfs/dbraw/zinc/83/22/18/930832218.db2.gz HGZHPWQKPDYZSZ-UHFFFAOYSA-N -1 1 404.879 4.151 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])[C@@H]1CC12CCCC2 ZINC000530875402 930845554 /nfs/dbraw/zinc/84/55/54/930845554.db2.gz OVSCBJOTOZTQRY-AWEZNQCLSA-N -1 1 420.918 4.365 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1C(=O)N(C)C ZINC000530957199 930867907 /nfs/dbraw/zinc/86/79/07/930867907.db2.gz MBPNLIXTHGAWNU-UHFFFAOYSA-N -1 1 408.479 4.397 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(F)ccc3O)c2)cc1F ZINC000531135245 930936452 /nfs/dbraw/zinc/93/64/52/930936452.db2.gz NTVRTPGZZFOUTN-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM CCCC1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])CC1 ZINC000531618046 931129683 /nfs/dbraw/zinc/12/96/83/931129683.db2.gz HFCAJFHLSUMHRH-UHFFFAOYSA-N -1 1 408.907 4.365 20 0 HIADMM O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1ccc(Cl)c2ccccc21 ZINC000531780534 931194434 /nfs/dbraw/zinc/19/44/34/931194434.db2.gz NVDOZIBDLHRDFV-INIZCTEOSA-N -1 1 403.887 4.462 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CC[C@@H](C(C)C)C2)c1 ZINC000532031512 931291414 /nfs/dbraw/zinc/29/14/14/931291414.db2.gz BCKIYSVUMTUYLB-QGZVFWFLSA-N -1 1 404.507 4.053 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cc1 ZINC000532138685 931325788 /nfs/dbraw/zinc/32/57/88/931325788.db2.gz GRBGFXGHMUNYBQ-UHFFFAOYSA-N -1 1 404.536 4.243 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCCCF)cc1 ZINC000532269029 931377890 /nfs/dbraw/zinc/37/78/90/931377890.db2.gz PMPABLZFNYVSGD-UHFFFAOYSA-N -1 1 406.523 4.183 20 0 HIADMM O=C(CSc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1)c1ccc([O-])cc1 ZINC000532632785 931562174 /nfs/dbraw/zinc/56/21/74/931562174.db2.gz RJOUTULGKJPNRF-UHFFFAOYSA-N -1 1 423.885 4.058 20 0 HIADMM O=C(Nc1ccc(Cl)cc1O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000532836463 931648705 /nfs/dbraw/zinc/64/87/05/931648705.db2.gz GGWJGOHSUDEWKG-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CCc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000533708686 931981764 /nfs/dbraw/zinc/98/17/64/931981764.db2.gz WMINYIFFIJVUQY-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM O=C(N=c1nc(-c2ccccc2)[n-]s1)Nc1cccc2c1CN(c1nccs1)C2 ZINC000534041111 932217178 /nfs/dbraw/zinc/21/71/78/932217178.db2.gz RHIKGYKEPSNBLQ-UHFFFAOYSA-N -1 1 420.523 4.248 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(O)c3F)cc2)c1 ZINC000534211007 932333359 /nfs/dbraw/zinc/33/33/59/932333359.db2.gz VIISJILIVSKHQG-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc4c(cc3Cl)OCO4)s2)cs1 ZINC000534616525 932599629 /nfs/dbraw/zinc/59/96/29/932599629.db2.gz AFPNYDTXQORJHP-UHFFFAOYSA-N -1 1 414.917 4.363 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(F)ccc2Br)c1-c1ccccc1 ZINC000534682807 932653212 /nfs/dbraw/zinc/65/32/12/932653212.db2.gz MHAWHWSVDAKMSP-UHFFFAOYSA-N -1 1 410.268 4.088 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)cc1OCC ZINC000534793622 932773870 /nfs/dbraw/zinc/77/38/70/932773870.db2.gz MBZDRQGRBAEENS-UHFFFAOYSA-N -1 1 415.515 4.049 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000534938406 932847192 /nfs/dbraw/zinc/84/71/92/932847192.db2.gz GOSSGGMJPRLLCF-OAQYLSRUSA-N -1 1 416.525 4.109 20 0 HIADMM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1csc([C@H]2CCCO2)n1 ZINC000535155486 932972712 /nfs/dbraw/zinc/97/27/12/932972712.db2.gz DEZWOTJWSBYWBR-CYBMUJFWSA-N -1 1 406.920 4.343 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CCC(F)(F)CC3)c2)c1 ZINC000535655032 933298359 /nfs/dbraw/zinc/29/83/59/933298359.db2.gz ILFYZLLQYYZBOU-UHFFFAOYSA-N -1 1 408.470 4.104 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2noc(C3CC3)n2)cc1)c1cc(F)cc(Cl)c1 ZINC000535890773 933472173 /nfs/dbraw/zinc/47/21/73/933472173.db2.gz BUJJJQLQEYSHMS-UHFFFAOYSA-N -1 1 423.853 4.119 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cnoc3C)c2)cc1CC ZINC000535988699 933550107 /nfs/dbraw/zinc/55/01/07/933550107.db2.gz HVFOONWHGPQTHH-UHFFFAOYSA-N -1 1 413.499 4.161 20 0 HIADMM Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1F ZINC000537362489 933737527 /nfs/dbraw/zinc/73/75/27/933737527.db2.gz JWHHHFIIUOTPHQ-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(F)c1 ZINC000537484404 933793190 /nfs/dbraw/zinc/79/31/90/933793190.db2.gz LCHJRSRKIYEXQT-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCc3cccc(O)c32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000562926447 945153117 /nfs/dbraw/zinc/15/31/17/945153117.db2.gz FNFIQRHNTZKZFB-IBGZPJMESA-N -1 1 422.506 4.170 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(Cc2cc3ccccc3o2)no1 ZINC000563228378 945157347 /nfs/dbraw/zinc/15/73/47/945157347.db2.gz YUWHSPZBTOLLAT-UHFFFAOYSA-N -1 1 413.437 4.058 20 0 HIADMM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)s1 ZINC000537654007 938347451 /nfs/dbraw/zinc/34/74/51/938347451.db2.gz MJEQKJHKAULBOB-UHFFFAOYSA-N -1 1 418.943 4.046 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000537705612 938360003 /nfs/dbraw/zinc/36/00/03/938360003.db2.gz IRDBCMMDHQZTPL-GOEBONIOSA-N -1 1 420.488 4.159 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC12CCC2 ZINC000537818243 938383703 /nfs/dbraw/zinc/38/37/03/938383703.db2.gz USDBULNVKVUZMP-INIZCTEOSA-N -1 1 416.518 4.279 20 0 HIADMM Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cnc4nc(C)ccc4c2[O-])C3)cs1 ZINC000537930662 938419214 /nfs/dbraw/zinc/41/92/14/938419214.db2.gz DJPJTUORHRCVLM-UHFFFAOYSA-N -1 1 422.535 4.336 20 0 HIADMM Cc1nc(-c2cc3c(s2)CCN(C(=O)c2c[n-]c4nc(C)ccc4c2=O)C3)cs1 ZINC000537930662 938419219 /nfs/dbraw/zinc/41/92/19/938419219.db2.gz DJPJTUORHRCVLM-UHFFFAOYSA-N -1 1 422.535 4.336 20 0 HIADMM CCc1cnccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000537995551 938455409 /nfs/dbraw/zinc/45/54/09/938455409.db2.gz LQMQESSVAREDHO-KRWDZBQOSA-N -1 1 423.538 4.244 20 0 HIADMM COCCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(C)sc2C)cc1Cl ZINC000538013846 938461910 /nfs/dbraw/zinc/46/19/10/938461910.db2.gz IJKKGWIOKHSWCY-UHFFFAOYSA-N -1 1 410.344 4.498 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)cc1 ZINC000538016294 938462815 /nfs/dbraw/zinc/46/28/15/938462815.db2.gz ZZLPNVKKGFGKBF-UHFFFAOYSA-N -1 1 401.488 4.448 20 0 HIADMM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)C1 ZINC000538049105 938482754 /nfs/dbraw/zinc/48/27/54/938482754.db2.gz IREZPKSUQNFDQB-RDJZCZTQSA-N -1 1 414.543 4.291 20 0 HIADMM O=S(=O)([N-][C@H]1CCCOc2c(Cl)cccc21)c1sccc1Br ZINC000538283504 938583272 /nfs/dbraw/zinc/58/32/72/938583272.db2.gz NCRDVMNZFBFILP-LBPRGKRZSA-N -1 1 422.753 4.356 20 0 HIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(C4(C(=O)OC)CC4)cc3)ccc21 ZINC000538449036 938625028 /nfs/dbraw/zinc/62/50/28/938625028.db2.gz BNGLHATUOJLXNG-UHFFFAOYSA-N -1 1 412.511 4.057 20 0 HIADMM C[C@H]1CC(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C[C@H](C)O1 ZINC000538749679 938700942 /nfs/dbraw/zinc/70/09/42/938700942.db2.gz AIIDDCGNBQABCV-KBPBESRZSA-N -1 1 422.934 4.283 20 0 HIADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(COc4ccccc4)cc3)ccc2NC1=O ZINC000539115579 938804909 /nfs/dbraw/zinc/80/49/09/938804909.db2.gz RBTQDXVFZOLMHA-UHFFFAOYSA-N -1 1 422.506 4.296 20 0 HIADMM Cc1n[nH]c2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)ccc12 ZINC000539907432 938975666 /nfs/dbraw/zinc/97/56/66/938975666.db2.gz BUGVPJIPPAJWJY-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CCN(CC)[C@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1Cl ZINC000780372132 939112241 /nfs/dbraw/zinc/11/22/41/939112241.db2.gz BLAVYCQWOHUNJA-MOPGFXCFSA-N -1 1 409.958 4.056 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000540209988 939128579 /nfs/dbraw/zinc/12/85/79/939128579.db2.gz WHPYSDMENLVZPI-UHFFFAOYSA-N -1 1 402.438 4.359 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000540234334 939154414 /nfs/dbraw/zinc/15/44/14/939154414.db2.gz YEBBAWVXMRUJAK-LJQANCHMSA-N -1 1 420.600 4.318 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000540234890 939156010 /nfs/dbraw/zinc/15/60/10/939156010.db2.gz YKPMOIAQUOBAIK-GOSISDBHSA-N -1 1 406.573 4.009 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000540249531 939167338 /nfs/dbraw/zinc/16/73/38/939167338.db2.gz RLVIXPUEFPOCCZ-UHFFFAOYSA-N -1 1 412.895 4.247 20 0 HIADMM Cc1ccc(SCc2cccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c2)c(C)c1 ZINC000540422634 939242720 /nfs/dbraw/zinc/24/27/20/939242720.db2.gz CGVFJWCQUOMODC-LJQANCHMSA-N -1 1 407.543 4.129 20 0 HIADMM Cc1ccc(S[C@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c2ccccc2)c(C)c1 ZINC000540423288 939243007 /nfs/dbraw/zinc/24/30/07/939243007.db2.gz RCMRDUFSTKIGOA-QUCCMNQESA-N -1 1 407.543 4.056 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc(OC)c1Br ZINC000540497872 939277577 /nfs/dbraw/zinc/27/75/77/939277577.db2.gz IKAJIZSUUKFIFE-UHFFFAOYSA-N -1 1 422.300 4.420 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c(=O)[n-]1 ZINC000540514910 939284251 /nfs/dbraw/zinc/28/42/51/939284251.db2.gz LIZBFFQZOALUOT-UHFFFAOYSA-N -1 1 419.510 4.123 20 0 HIADMM CSc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000540785369 939371285 /nfs/dbraw/zinc/37/12/85/939371285.db2.gz CGRXATZXLLBAPZ-UHFFFAOYSA-N -1 1 412.536 4.391 20 0 HIADMM O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc([O-])c(Cl)c1 ZINC000540958823 939420708 /nfs/dbraw/zinc/42/07/08/939420708.db2.gz USJNHHQDNKUPJA-UHFFFAOYSA-N -1 1 421.931 4.117 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541133925 939472523 /nfs/dbraw/zinc/47/25/23/939472523.db2.gz LSZOFNJYICHRBW-HNNXBMFYSA-N -1 1 423.435 4.021 20 0 HIADMM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cccc(C(F)(F)F)c1 ZINC000541306935 939490353 /nfs/dbraw/zinc/49/03/53/939490353.db2.gz GIDBNMKQQSFBKL-UHFFFAOYSA-N -1 1 400.353 4.441 20 0 HIADMM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000541752617 939620875 /nfs/dbraw/zinc/62/08/75/939620875.db2.gz PWLRQKXOCGHMOR-HTAPYJJXSA-N -1 1 421.522 4.106 20 0 HIADMM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000541752623 939620999 /nfs/dbraw/zinc/62/09/99/939620999.db2.gz PWLRQKXOCGHMOR-VGSWGCGISA-N -1 1 421.522 4.106 20 0 HIADMM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000541859369 939647629 /nfs/dbraw/zinc/64/76/29/939647629.db2.gz KSCTTXSASDVXBX-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM Cn1nc(C2CCCC2)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000541974152 939667171 /nfs/dbraw/zinc/66/71/71/939667171.db2.gz NISVSRJCDQAEEN-UHFFFAOYSA-N -1 1 424.526 4.131 20 0 HIADMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000542007967 939682765 /nfs/dbraw/zinc/68/27/65/939682765.db2.gz BIGDIXFTITVOLS-UHFFFAOYSA-N -1 1 415.540 4.004 20 0 HIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)cc2)o1 ZINC000542237437 939770175 /nfs/dbraw/zinc/77/01/75/939770175.db2.gz UEJAHOLWPSNQGS-UHFFFAOYSA-N -1 1 413.430 4.386 20 0 HIADMM O=S(=O)([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)c1cccc2cccnc21 ZINC000542241360 939771060 /nfs/dbraw/zinc/77/10/60/939771060.db2.gz XYJKBNJWSSZUGB-INIZCTEOSA-N -1 1 402.344 4.095 20 0 HIADMM CCCc1c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cnn1-c1cccc(F)c1 ZINC000542418373 939818174 /nfs/dbraw/zinc/81/81/74/939818174.db2.gz OGFVKYGTXDCJRA-UHFFFAOYSA-N -1 1 411.481 4.318 20 0 HIADMM Cc1cc(C)cc([C@@H]2CCN(C(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)c1 ZINC000543345263 940036669 /nfs/dbraw/zinc/03/66/69/940036669.db2.gz MSZKZGNBISDUIZ-HXUWFJFHSA-N -1 1 416.525 4.118 20 0 HIADMM CCC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000543593492 940123533 /nfs/dbraw/zinc/12/35/33/940123533.db2.gz IQCKSLWFXLPPJS-IBGZPJMESA-N -1 1 416.543 4.291 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@H](C)C(C)C ZINC000563778208 945299263 /nfs/dbraw/zinc/29/92/63/945299263.db2.gz QALMPDDDLAQVOQ-CQSZACIVSA-N -1 1 410.486 4.272 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000543662923 940154123 /nfs/dbraw/zinc/15/41/23/940154123.db2.gz MRJQYFDBWPTTIX-UHFFFAOYSA-N -1 1 416.543 4.422 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)c(=O)[n-]1 ZINC000543790941 940187677 /nfs/dbraw/zinc/18/76/77/940187677.db2.gz SGFYQECHWMDWID-QGZVFWFLSA-N -1 1 411.930 4.451 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1 ZINC000543832696 940202564 /nfs/dbraw/zinc/20/25/64/940202564.db2.gz JYZNKYMBJIKFKL-GAJHUEQPSA-N -1 1 412.555 4.448 20 0 HIADMM Cc1ccc(Br)c(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000544098743 940326522 /nfs/dbraw/zinc/32/65/22/940326522.db2.gz BHWSAVNJNMNEQX-LBPRGKRZSA-N -1 1 412.305 4.137 20 0 HIADMM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1F ZINC000544100902 940326797 /nfs/dbraw/zinc/32/67/97/940326797.db2.gz OZMDZFYSIDYGPR-UHFFFAOYSA-N -1 1 409.458 4.483 20 0 HIADMM O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000544375997 940405910 /nfs/dbraw/zinc/40/59/10/940405910.db2.gz ABDMSPAKPZAIJT-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000544644664 940497594 /nfs/dbraw/zinc/49/75/94/940497594.db2.gz DQFCGQBWEBCCFT-UHFFFAOYSA-N -1 1 416.543 4.319 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC)CCC3CC3)c2)cc1 ZINC000544882343 940521441 /nfs/dbraw/zinc/52/14/41/940521441.db2.gz OFPJREVOYVAYBE-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000544884402 940521507 /nfs/dbraw/zinc/52/15/07/940521507.db2.gz MKCMKWUTVWMAFP-OAHLLOKOSA-N -1 1 414.449 4.257 20 0 HIADMM C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC(C)(C)C1 ZINC000544889428 940522131 /nfs/dbraw/zinc/52/21/31/940522131.db2.gz GNJCPXZTSXPZFS-INIZCTEOSA-N -1 1 401.532 4.387 20 0 HIADMM CCOc1cc(C(=O)NCCCOc2cccc3cccnc32)cc(Cl)c1[O-] ZINC000545150127 940551530 /nfs/dbraw/zinc/55/15/30/940551530.db2.gz JAJOFBVITMQBBY-UHFFFAOYSA-N -1 1 400.862 4.191 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)c3cnccc3C)ccc2C)cc1 ZINC000545243039 940558257 /nfs/dbraw/zinc/55/82/57/940558257.db2.gz VYNGXAAVMHJVHR-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@H]1c1cccnc1 ZINC000545513693 940572622 /nfs/dbraw/zinc/57/26/22/940572622.db2.gz GLFIECJWVQRYHD-NRFANRHFSA-N -1 1 422.510 4.251 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCc2ccsc2C1 ZINC000545513648 940572626 /nfs/dbraw/zinc/57/26/26/940572626.db2.gz UISGZWXIOYKONH-UHFFFAOYSA-N -1 1 413.524 4.139 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc([C@@H]2CCCc3ccccc32)no1 ZINC000545588705 940576040 /nfs/dbraw/zinc/57/60/40/940576040.db2.gz ITNKXUIRPDFDHS-HXUWFJFHSA-N -1 1 413.481 4.189 20 0 HIADMM CCc1cccnc1-c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000545712344 940581901 /nfs/dbraw/zinc/58/19/01/940581901.db2.gz RKYLHFFLJHTSTB-UHFFFAOYSA-N -1 1 424.457 4.301 20 0 HIADMM CCc1cccnc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)n1 ZINC000545722455 940582373 /nfs/dbraw/zinc/58/23/73/940582373.db2.gz OAWFNELODPCQSU-UHFFFAOYSA-N -1 1 420.494 4.470 20 0 HIADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000545830162 940619800 /nfs/dbraw/zinc/61/98/00/940619800.db2.gz UDAFVCNNTYIPRB-MHZLTWQESA-N -1 1 421.584 4.325 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc(Cl)c1[O-] ZINC000545843658 940628517 /nfs/dbraw/zinc/62/85/17/940628517.db2.gz YZOBBMPZGVXMDQ-CQSZACIVSA-N -1 1 413.905 4.299 20 0 HIADMM CCOc1cc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc(Cl)c1[O-] ZINC000545853947 940637439 /nfs/dbraw/zinc/63/74/39/940637439.db2.gz LKNIOFXJFURKOG-SFHVURJKSA-N -1 1 403.906 4.308 20 0 HIADMM CCOc1cc(C(=O)N2CCN(Cc3ccc(CC)s3)CC2)cc(Cl)c1[O-] ZINC000545856233 940639361 /nfs/dbraw/zinc/63/93/61/940639361.db2.gz IXMJJJDZCGXUHZ-UHFFFAOYSA-N -1 1 408.951 4.026 20 0 HIADMM COc1cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc(Cl)c1[O-] ZINC000545886563 940652658 /nfs/dbraw/zinc/65/26/58/940652658.db2.gz YKEMBLNRVAMLDT-UHFFFAOYSA-N -1 1 415.833 4.221 20 0 HIADMM Cc1ccc(NC(=O)CCc2ccc(O)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000546159780 940717539 /nfs/dbraw/zinc/71/75/39/940717539.db2.gz IOFZPWGFHDIVFY-UHFFFAOYSA-N -1 1 410.495 4.073 20 0 HIADMM CCN(CCC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000546214194 940731118 /nfs/dbraw/zinc/73/11/18/940731118.db2.gz FMIVOXKYWRHHQK-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccc(OC(C)(C)C)cc2)no1 ZINC000546277343 940759008 /nfs/dbraw/zinc/75/90/08/940759008.db2.gz ZYYMYHQYJAXAHD-UHFFFAOYSA-N -1 1 417.469 4.371 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(COCc3ccccc3)no2)cc1 ZINC000546363287 940802345 /nfs/dbraw/zinc/80/23/45/940802345.db2.gz XVVKSJAENKPZMZ-UHFFFAOYSA-N -1 1 421.478 4.254 20 0 HIADMM CCc1cccnc1-c1noc(-c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000546428388 940818119 /nfs/dbraw/zinc/81/81/19/940818119.db2.gz MYSDCMJXZICASI-UHFFFAOYSA-N -1 1 420.494 4.470 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc([C@@H]3CCCO3)no2)cc1 ZINC000546474909 940830347 /nfs/dbraw/zinc/83/03/47/940830347.db2.gz MHBJJJBUOTXDEU-INIZCTEOSA-N -1 1 405.863 4.042 20 0 HIADMM Cc1ccc(-c2nc([C@@H]3CCCO3)no2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000546476595 940830595 /nfs/dbraw/zinc/83/05/95/940830595.db2.gz APVPZIOWIUPCHW-INIZCTEOSA-N -1 1 419.890 4.351 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(CCc4ccco4)no3)c2)cc1 ZINC000546483617 940832452 /nfs/dbraw/zinc/83/24/52/940832452.db2.gz NFOJPHLEDVOHIY-UHFFFAOYSA-N -1 1 409.467 4.224 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nc(CCc3ccco3)no2)cc1 ZINC000546493592 940835614 /nfs/dbraw/zinc/83/56/14/940835614.db2.gz VCOFKWQRVZDREB-UHFFFAOYSA-N -1 1 413.430 4.055 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc(Cl)c1[O-] ZINC000546559634 940853002 /nfs/dbraw/zinc/85/30/02/940853002.db2.gz PEMZEWZQJRBEET-LLVKDONJSA-N -1 1 419.840 4.433 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc(Cl)c1[O-] ZINC000546564325 940854189 /nfs/dbraw/zinc/85/41/89/940854189.db2.gz QRZNNXTWGLSXIL-DZGCQCFKSA-N -1 1 410.695 4.493 20 0 HIADMM CCOc1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cc(Cl)c1[O-] ZINC000546564328 940854247 /nfs/dbraw/zinc/85/42/47/940854247.db2.gz QRZNNXTWGLSXIL-HIFRSBDPSA-N -1 1 410.695 4.493 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(OCc3nccn3C)cc2)cc(Cl)c1[O-] ZINC000546583672 940857920 /nfs/dbraw/zinc/85/79/20/940857920.db2.gz HCZFAVXRUIDZDQ-UHFFFAOYSA-N -1 1 401.850 4.009 20 0 HIADMM CCOc1cc(C(=O)NCc2cc(OC)ccc2Br)cc(Cl)c1[O-] ZINC000546584813 940858317 /nfs/dbraw/zinc/85/83/17/940858317.db2.gz YXKCVJHAVQWOBJ-UHFFFAOYSA-N -1 1 414.683 4.145 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(C)C ZINC000546623386 940861916 /nfs/dbraw/zinc/86/19/16/940861916.db2.gz COMZGZDKHUWDRL-UHFFFAOYSA-N -1 1 420.531 4.268 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1OC(C)C ZINC000546887436 940901831 /nfs/dbraw/zinc/90/18/31/940901831.db2.gz KUZOOXWQBYWGNG-UHFFFAOYSA-N -1 1 418.284 4.185 20 0 HIADMM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000546914707 940911602 /nfs/dbraw/zinc/91/16/02/940911602.db2.gz SHYANDGUVFBJQX-AWEZNQCLSA-N -1 1 418.412 4.087 20 0 HIADMM C[C@@H](CNc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546927143 940915622 /nfs/dbraw/zinc/91/56/22/940915622.db2.gz LUMLZNPQXCMAAZ-KRWDZBQOSA-N -1 1 424.526 4.110 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(Cc4ccccn4)no3)ccc2C)cc1 ZINC000546959952 940927890 /nfs/dbraw/zinc/92/78/90/940927890.db2.gz JPJPNEFAJIBPMR-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1ccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)c(C)c4)cc3)n2)cn1 ZINC000546980667 940935602 /nfs/dbraw/zinc/93/56/02/940935602.db2.gz KSLBIMAFJIIJSQ-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(Cc4ccc(C)nc4)no3)c2)cc1 ZINC000547045713 940972938 /nfs/dbraw/zinc/97/29/38/940972938.db2.gz FYNZIZRMBRXLLS-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(CCCc2ccccc2Cl)no1 ZINC000547135508 941007829 /nfs/dbraw/zinc/00/78/29/941007829.db2.gz RQYAEJSGZVEUMN-UHFFFAOYSA-N -1 1 421.888 4.355 20 0 HIADMM CCSCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000547137677 941008492 /nfs/dbraw/zinc/00/84/92/941008492.db2.gz ZFXHXRXOFOEQHU-UHFFFAOYSA-N -1 1 409.920 4.444 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(COC3CCCC3)no2)cc1 ZINC000547152869 941013067 /nfs/dbraw/zinc/01/30/67/941013067.db2.gz MCDGESBUXQKRAK-UHFFFAOYSA-N -1 1 413.499 4.305 20 0 HIADMM CCc1cnccc1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000547155397 941014274 /nfs/dbraw/zinc/01/42/74/941014274.db2.gz FSFBUIOPWXEQGK-UHFFFAOYSA-N -1 1 424.457 4.301 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@H](C)C4CC4)no3)cc2)cc1 ZINC000547212088 941033664 /nfs/dbraw/zinc/03/36/64/941033664.db2.gz GNQYYLNXLJIWIN-CQSZACIVSA-N -1 1 413.499 4.450 20 0 HIADMM C[C@H](c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1)c1ccncc1 ZINC000547212796 941034422 /nfs/dbraw/zinc/03/44/22/941034422.db2.gz KEFXOLJSFCXADD-AWEZNQCLSA-N -1 1 424.457 4.223 20 0 HIADMM CCOc1cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000547261850 941046528 /nfs/dbraw/zinc/04/65/28/941046528.db2.gz IEOVKLKIPVVYMK-WMZOPIPTSA-N -1 1 409.313 4.273 20 0 HIADMM CCOc1cc(C(=O)N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000547261460 941046699 /nfs/dbraw/zinc/04/66/99/941046699.db2.gz XSAQMNHXJMZEQP-SFHVURJKSA-N -1 1 420.296 4.351 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](CC(=O)OC)c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000547270934 941049666 /nfs/dbraw/zinc/04/96/66/941049666.db2.gz ULIDSLWPAAVAPO-HNNXBMFYSA-N -1 1 412.269 4.132 20 0 HIADMM CCOc1cc(C(=O)NCCOc2cccc(Br)c2)cc(Cl)c1[O-] ZINC000547287819 941052552 /nfs/dbraw/zinc/05/25/52/941052552.db2.gz VIRQKAASIMJDGV-UHFFFAOYSA-N -1 1 414.683 4.016 20 0 HIADMM CCOc1cc(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000547289983 941053444 /nfs/dbraw/zinc/05/34/44/941053444.db2.gz KWODLLOGMLANCH-GJZGRUSLSA-N -1 1 418.921 4.306 20 0 HIADMM COc1ccc(C2(C(=O)Nc3cc(C)cc(Br)c3[O-])CCOCC2)cc1 ZINC000547413515 941061447 /nfs/dbraw/zinc/06/14/47/941061447.db2.gz VABRJCVZCRMLTJ-UHFFFAOYSA-N -1 1 420.303 4.159 20 0 HIADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@H](C)Sc2ccccc2Cl)n[n-]1 ZINC000548394767 941099506 /nfs/dbraw/zinc/09/95/06/941099506.db2.gz CHTYATVZLVQMAS-GXTWGEPZSA-N -1 1 424.954 4.019 20 0 HIADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H](C)Sc2ccccc2Cl)[n-]1 ZINC000548394767 941099508 /nfs/dbraw/zinc/09/95/08/941099508.db2.gz CHTYATVZLVQMAS-GXTWGEPZSA-N -1 1 424.954 4.019 20 0 HIADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H](C)Sc2ccccc2Cl)n1 ZINC000548394767 941099510 /nfs/dbraw/zinc/09/95/10/941099510.db2.gz CHTYATVZLVQMAS-GXTWGEPZSA-N -1 1 424.954 4.019 20 0 HIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000548607985 941114553 /nfs/dbraw/zinc/11/45/53/941114553.db2.gz MZDZQDLYVIEBJR-UHFFFAOYSA-N -1 1 406.389 4.239 20 0 HIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C)cc(Br)c3)c2)n1 ZINC000548686931 941119368 /nfs/dbraw/zinc/11/93/68/941119368.db2.gz NNKDFEKYGHXAMK-UHFFFAOYSA-N -1 1 422.304 4.225 20 0 HIADMM CCO[C@H](C)c1nc(CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)cs1 ZINC000548941944 941131599 /nfs/dbraw/zinc/13/15/99/941131599.db2.gz PKLCPKXDBUIXHM-LLVKDONJSA-N -1 1 405.907 4.420 20 0 HIADMM CN(Cc1nccn1Cc1ccccc1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000548944137 941131839 /nfs/dbraw/zinc/13/18/39/941131839.db2.gz ZVFFKEOJYQFAIS-UHFFFAOYSA-N -1 1 406.873 4.111 20 0 HIADMM Cc1cc([C@H]2CN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)CCO2)ccc1F ZINC000548946424 941132097 /nfs/dbraw/zinc/13/20/97/941132097.db2.gz NCLKTCFRDLVWIX-LJQANCHMSA-N -1 1 400.837 4.255 20 0 HIADMM Cc1cccc(CC2(O)CCN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)CC2)c1 ZINC000549372610 941183480 /nfs/dbraw/zinc/18/34/80/941183480.db2.gz QHNSSQLZTSDGPY-UHFFFAOYSA-N -1 1 410.901 4.112 20 0 HIADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCc3ccc(-c4ccccc4)cc32)c(C(F)(F)F)n1 ZINC000549407218 941186737 /nfs/dbraw/zinc/18/67/37/941186737.db2.gz AFCGOTLGPCFEQD-KRWDZBQOSA-N -1 1 421.444 4.072 20 0 HIADMM O=C([O-])C[C@H](NCc1cncc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC000551057817 941402387 /nfs/dbraw/zinc/40/23/87/941402387.db2.gz FEBZJGPIFZTLIZ-AWEZNQCLSA-N -1 1 403.198 4.169 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H](C)n3cccc3)ccc2C)c1 ZINC000552105831 941586172 /nfs/dbraw/zinc/58/61/72/941586172.db2.gz JYAVUKVAOKHXNB-SFHVURJKSA-N -1 1 411.527 4.496 20 0 HIADMM Cc1nn(C(F)F)c(C)c1CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552209455 941603865 /nfs/dbraw/zinc/60/38/65/941603865.db2.gz DBAYBAHGFAYBEC-UHFFFAOYSA-N -1 1 408.630 4.198 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000553368150 941873858 /nfs/dbraw/zinc/87/38/58/941873858.db2.gz SMRJSTORVURGOB-OAQYLSRUSA-N -1 1 400.482 4.111 20 0 HIADMM Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c2ccccn2)cc1 ZINC000553530117 941903991 /nfs/dbraw/zinc/90/39/91/941903991.db2.gz AMVPDOKVYBOKFX-GOSISDBHSA-N -1 1 408.857 4.390 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N(C1CCC1)C1CCC1 ZINC000554189476 942062072 /nfs/dbraw/zinc/06/20/72/942062072.db2.gz LNAUBBVCSXYOAX-UHFFFAOYSA-N -1 1 416.518 4.103 20 0 HIADMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(OC)cc3Cl)n2)cc1 ZINC000554705009 942205077 /nfs/dbraw/zinc/20/50/77/942205077.db2.gz XCHVKUBBXFSCQD-LBPRGKRZSA-N -1 1 421.906 4.001 20 0 HIADMM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccccc1)c1c(Cl)cc(Cl)cc1Cl ZINC000554919552 942319947 /nfs/dbraw/zinc/31/99/47/942319947.db2.gz KBTWSJVLFFLONL-DYVFJYSZSA-N -1 1 420.745 4.091 20 0 HIADMM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(C)(F)F ZINC000554932147 942323756 /nfs/dbraw/zinc/32/37/56/942323756.db2.gz GFTJKPRXTXPFQX-NSHDSACASA-N -1 1 402.850 4.371 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(F)(F)[C@@H](C)C3)cc2)c1C ZINC000555114642 942389119 /nfs/dbraw/zinc/38/91/19/942389119.db2.gz IKGNVHRKFCDJDT-HNNXBMFYSA-N -1 1 422.497 4.222 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000555305917 942469734 /nfs/dbraw/zinc/46/97/34/942469734.db2.gz ZTVGZMIVJHRDEB-UHFFFAOYSA-N -1 1 410.901 4.051 20 0 HIADMM O=C(CCCOc1cccc(Br)c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000555445123 942549595 /nfs/dbraw/zinc/54/95/95/942549595.db2.gz YPBLDRHWUSNZDN-UHFFFAOYSA-N -1 1 416.275 4.343 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccco4)no3)c2)cc1 ZINC000556315803 942839296 /nfs/dbraw/zinc/83/92/96/942839296.db2.gz WSZALQDEERTLAR-UHFFFAOYSA-N -1 1 411.439 4.196 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1OC ZINC000556346307 942846960 /nfs/dbraw/zinc/84/69/60/942846960.db2.gz DBAHUUKKFVWSFI-UHFFFAOYSA-N -1 1 424.689 4.243 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)on1 ZINC000556373763 942851236 /nfs/dbraw/zinc/85/12/36/942851236.db2.gz GWLJKXKLHBXKOF-UHFFFAOYSA-N -1 1 421.744 4.473 20 0 HIADMM O=C(Nc1c(O)cccc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000557182604 943043092 /nfs/dbraw/zinc/04/30/92/943043092.db2.gz XGNNZSBDMZOWOA-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM COc1cc(C(=O)NCc2cc(F)c(F)cc2Br)cc(Cl)c1[O-] ZINC000557687784 943259145 /nfs/dbraw/zinc/25/91/45/943259145.db2.gz XNRPOKKBSIRKBR-UHFFFAOYSA-N -1 1 406.610 4.025 20 0 HIADMM Cc1ccc2[nH]c(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)nc2c1 ZINC000557808515 943298137 /nfs/dbraw/zinc/29/81/37/943298137.db2.gz ULZLDHAQFIINQY-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)[nH]c2c1 ZINC000557808515 943298142 /nfs/dbraw/zinc/29/81/42/943298142.db2.gz ULZLDHAQFIINQY-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccccc1N1C(=O)CCC1=O ZINC000558136063 943392396 /nfs/dbraw/zinc/39/23/96/943392396.db2.gz KKNQHKJFJJPLON-UHFFFAOYSA-N -1 1 414.527 4.055 20 0 HIADMM CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000558326608 943509484 /nfs/dbraw/zinc/50/94/84/943509484.db2.gz SBUXELBFPWGIHF-JRUMVTRASA-N -1 1 404.938 4.341 20 0 HIADMM CC1=C(c2ccco2)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000558738530 943635964 /nfs/dbraw/zinc/63/59/64/943635964.db2.gz WFFYUXFUOJJPFN-UHFFFAOYSA-N -1 1 422.506 4.400 20 0 HIADMM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000559584329 944011627 /nfs/dbraw/zinc/01/16/27/944011627.db2.gz CHGRFHWDBRUFIJ-LRDDRELGSA-N -1 1 406.433 4.388 20 0 HIADMM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)s1 ZINC000559757788 944044626 /nfs/dbraw/zinc/04/46/26/944044626.db2.gz IGJIRNHUAUBVRR-UHFFFAOYSA-N -1 1 413.735 4.145 20 0 HIADMM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000560005592 944125898 /nfs/dbraw/zinc/12/58/98/944125898.db2.gz FKTNEQRISKAFFH-UHFFFAOYSA-N -1 1 419.305 4.414 20 0 HIADMM O=C(COc1ccsc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000560120284 944167630 /nfs/dbraw/zinc/16/76/30/944167630.db2.gz KELIGHVLICYLJQ-UHFFFAOYSA-N -1 1 422.915 4.220 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H](C)c2ccc3ccccc3c2)n[n-]1 ZINC000560427156 944230563 /nfs/dbraw/zinc/23/05/63/944230563.db2.gz GNFOAHDRFBELBO-KXBFYZLASA-N -1 1 408.502 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H](C)c2ccc3ccccc3c2)[n-]1 ZINC000560427156 944230575 /nfs/dbraw/zinc/23/05/75/944230575.db2.gz GNFOAHDRFBELBO-KXBFYZLASA-N -1 1 408.502 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000560427156 944230583 /nfs/dbraw/zinc/23/05/83/944230583.db2.gz GNFOAHDRFBELBO-KXBFYZLASA-N -1 1 408.502 4.142 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H](C)c2ccc3ccccc3c2)n[n-]1 ZINC000560427153 944230841 /nfs/dbraw/zinc/23/08/41/944230841.db2.gz GNFOAHDRFBELBO-BEFAXECRSA-N -1 1 408.502 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H](C)c2ccc3ccccc3c2)[n-]1 ZINC000560427153 944230846 /nfs/dbraw/zinc/23/08/46/944230846.db2.gz GNFOAHDRFBELBO-BEFAXECRSA-N -1 1 408.502 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H](C)c2ccc3ccccc3c2)n1 ZINC000560427153 944230852 /nfs/dbraw/zinc/23/08/52/944230852.db2.gz GNFOAHDRFBELBO-BEFAXECRSA-N -1 1 408.502 4.142 20 0 HIADMM C[C@@H]1CC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000560805728 944338893 /nfs/dbraw/zinc/33/88/93/944338893.db2.gz NUWWZEIVVNHAQT-PXAZEXFGSA-N -1 1 412.433 4.035 20 0 HIADMM Cc1ccc(Cc2cnc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)s2)cc1Cl ZINC000561030090 944403251 /nfs/dbraw/zinc/40/32/51/944403251.db2.gz LPFGBVZTORMKSC-LBPRGKRZSA-N -1 1 403.813 4.073 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)Cc2cccs2)cc1C ZINC000561064152 944422627 /nfs/dbraw/zinc/42/26/27/944422627.db2.gz XOGGWNUOYNJGTI-UHFFFAOYSA-N -1 1 400.525 4.347 20 0 HIADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)F)cc2)c(OC(F)(F)F)c1 ZINC000561378365 944567739 /nfs/dbraw/zinc/56/77/39/944567739.db2.gz QXAVWFIXRXSDQT-UHFFFAOYSA-N -1 1 411.304 4.022 20 0 HIADMM Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000564378474 945542032 /nfs/dbraw/zinc/54/20/32/945542032.db2.gz HHLYLHLBHMZINH-UHFFFAOYSA-N -1 1 422.550 4.295 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccoc4C)no3)c2)cc1 ZINC000564455993 945600406 /nfs/dbraw/zinc/60/04/06/945600406.db2.gz GBTIRAVEECOOGX-UHFFFAOYSA-N -1 1 411.439 4.114 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(CCC3CC3)no2)c1)c1ccc(F)c(F)c1 ZINC000564576354 945683062 /nfs/dbraw/zinc/68/30/62/945683062.db2.gz VDCJKBBPXQXKAB-UHFFFAOYSA-N -1 1 405.426 4.158 20 0 HIADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1C ZINC000565455243 945835087 /nfs/dbraw/zinc/83/50/87/945835087.db2.gz UJXHRRUGJBWKKY-UHFFFAOYSA-N -1 1 405.369 4.049 20 0 HIADMM Cc1c(Br)ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1F ZINC000565618764 945855718 /nfs/dbraw/zinc/85/57/18/945855718.db2.gz DBPYSZUPPKGVRR-UHFFFAOYSA-N -1 1 413.190 4.111 20 0 HIADMM COc1ccc(C(=O)C2CCN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)CC2)cc1 ZINC000566384440 946017404 /nfs/dbraw/zinc/01/74/04/946017404.db2.gz CICPFWBQRAQTRB-UHFFFAOYSA-N -1 1 424.884 4.338 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(-c4ccc(C)o4)no3)c([O-])c2)c1 ZINC000567040454 946227543 /nfs/dbraw/zinc/22/75/43/946227543.db2.gz QKFDWSVDWDRQDU-UHFFFAOYSA-N -1 1 421.409 4.280 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)[C@H](C)C(C)C ZINC000567148554 946254265 /nfs/dbraw/zinc/25/42/65/946254265.db2.gz XTZFKKDLDSIAAG-MRXNPFEDSA-N -1 1 406.523 4.442 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(C(C)(C)c2ccc(Cl)cc2)no1 ZINC000567279544 946287976 /nfs/dbraw/zinc/28/79/76/946287976.db2.gz OZUKBDUYAQTXLT-LLVKDONJSA-N -1 1 411.936 4.150 20 0 HIADMM CCOc1cc(C(=O)NCc2ccccc2OCC(F)(F)F)cc(Cl)c1[O-] ZINC000567411564 946328492 /nfs/dbraw/zinc/32/84/92/946328492.db2.gz XJSKNKQYAPHEEM-UHFFFAOYSA-N -1 1 403.784 4.315 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c1 ZINC000567975287 946437927 /nfs/dbraw/zinc/43/79/27/946437927.db2.gz NYZLTPCVJTYXHC-UHFFFAOYSA-N -1 1 418.902 4.261 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(Br)c2C)c1 ZINC000568104198 946463053 /nfs/dbraw/zinc/46/30/53/946463053.db2.gz FVADZTQXLZQFIZ-UHFFFAOYSA-N -1 1 404.713 4.358 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000569438401 946875467 /nfs/dbraw/zinc/87/54/67/946875467.db2.gz HQDFMNSZHNYXAO-IBGZPJMESA-N -1 1 421.906 4.462 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2nnc(-c3ccccn3)s2)c1)c1ccccc1 ZINC000570309733 947186168 /nfs/dbraw/zinc/18/61/68/947186168.db2.gz LAOWOONFJUXPCH-UHFFFAOYSA-N -1 1 410.480 4.193 20 0 HIADMM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1c(Cl)cccc1C(F)(F)F ZINC000570488223 947265428 /nfs/dbraw/zinc/26/54/28/947265428.db2.gz REZQKWGHFWWRJC-UHFFFAOYSA-N -1 1 416.808 4.492 20 0 HIADMM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000570997286 947418347 /nfs/dbraw/zinc/41/83/47/947418347.db2.gz JKAQGEZMVCBSKK-UHFFFAOYSA-N -1 1 424.404 4.358 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n1 ZINC000571212146 947549362 /nfs/dbraw/zinc/54/93/62/947549362.db2.gz JRHGPONVJCDCIF-NRFANRHFSA-N -1 1 415.515 4.426 20 0 HIADMM CC1(C2CC2)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000572173487 947856719 /nfs/dbraw/zinc/85/67/19/947856719.db2.gz FNHQMIQQIYNIBP-UHFFFAOYSA-N -1 1 416.518 4.279 20 0 HIADMM O=S(=O)(Cc1ccc(OCc2ccc(F)cc2)cc1)c1nc(-c2ccccc2)n[n-]1 ZINC000572330157 947886517 /nfs/dbraw/zinc/88/65/17/947886517.db2.gz UVULNXJUKLLVSZ-UHFFFAOYSA-N -1 1 423.469 4.164 20 0 HIADMM O=S(=O)(Cc1ccc(OCc2ccc(F)cc2)cc1)c1n[n-]c(-c2ccccc2)n1 ZINC000572330157 947886519 /nfs/dbraw/zinc/88/65/19/947886519.db2.gz UVULNXJUKLLVSZ-UHFFFAOYSA-N -1 1 423.469 4.164 20 0 HIADMM O=C(Cc1cnn(-c2ccccc2)c1)Nc1c([O-])cc(Br)cc1Cl ZINC000572864957 948025071 /nfs/dbraw/zinc/02/50/71/948025071.db2.gz XCZDTSKIXDXZHA-UHFFFAOYSA-N -1 1 406.667 4.175 20 0 HIADMM O=C([O-])C[C@@H](NCc1cnn(-c2ccc(Br)cc2)c1)c1ccsc1 ZINC000572905196 948034498 /nfs/dbraw/zinc/03/44/98/948034498.db2.gz DJFCDNYTYQOIJN-MRXNPFEDSA-N -1 1 406.305 4.002 20 0 HIADMM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)cccc21 ZINC000575495227 948673606 /nfs/dbraw/zinc/67/36/06/948673606.db2.gz ICWCKSUHGLVMBH-HNNXBMFYSA-N -1 1 401.315 4.179 20 0 HIADMM O=S(=O)(Cc1csc(-c2cccs2)n1)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000575983005 948807260 /nfs/dbraw/zinc/80/72/60/948807260.db2.gz GCKKVQXHYHCLEU-UHFFFAOYSA-N -1 1 422.944 4.284 20 0 HIADMM O=S(=O)(Cc1csc(-c2cccs2)n1)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000575983005 948807272 /nfs/dbraw/zinc/80/72/72/948807272.db2.gz GCKKVQXHYHCLEU-UHFFFAOYSA-N -1 1 422.944 4.284 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1Br ZINC000436010661 861300348 /nfs/dbraw/zinc/30/03/48/861300348.db2.gz YXIGWSGYPLAJPU-UHFFFAOYSA-N -1 1 419.300 4.362 20 0 HIADMM CC1=C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000436009794 861300736 /nfs/dbraw/zinc/30/07/36/861300736.db2.gz VUXYQKDOVZTXLE-AWEZNQCLSA-N -1 1 404.919 4.179 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000436210454 861510549 /nfs/dbraw/zinc/51/05/49/861510549.db2.gz ZPXBVPHEDHVSIY-CQSZACIVSA-N -1 1 411.527 4.046 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000436210452 861510917 /nfs/dbraw/zinc/51/09/17/861510917.db2.gz ZPXBVPHEDHVSIY-AWEZNQCLSA-N -1 1 411.527 4.046 20 0 HIADMM COc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1F ZINC000005148881 845085313 /nfs/dbraw/zinc/08/53/13/845085313.db2.gz BKTGXSOYVWEACI-UHFFFAOYSA-N -1 1 410.426 4.156 20 0 HIADMM CC(=O)c1ccc(-c2ccc(C(=O)OCc3cc(=O)oc4cc([O-])ccc34)o2)cc1 ZINC000005540403 845123230 /nfs/dbraw/zinc/12/32/30/845123230.db2.gz RFIITLKTIJXAGA-UHFFFAOYSA-N -1 1 404.374 4.318 20 0 HIADMM CCc1cc2c(COC(=O)CSc3nc4ccccc4o3)cc(=O)oc2cc1[O-] ZINC000005970021 845154466 /nfs/dbraw/zinc/15/44/66/845154466.db2.gz RZGFZHUMONSNLI-UHFFFAOYSA-N -1 1 411.435 4.038 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(Cl)c1 ZINC000007051614 845242867 /nfs/dbraw/zinc/24/28/67/845242867.db2.gz CSVIKIWEFHMIKS-UHFFFAOYSA-N -1 1 402.907 4.126 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3C)c2)c1 ZINC000007227465 845288785 /nfs/dbraw/zinc/28/87/85/845288785.db2.gz VRQKBAYFHLICFR-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)n1 ZINC000436256296 861569053 /nfs/dbraw/zinc/56/90/53/861569053.db2.gz ADXPIHGVAGMECC-FQEVSTJZSA-N -1 1 411.552 4.073 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1F ZINC000008033530 845465865 /nfs/dbraw/zinc/46/58/65/845465865.db2.gz DPGWMKUMISWUER-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000008033503 845466353 /nfs/dbraw/zinc/46/63/53/845466353.db2.gz QYYFFPLPWDJTQO-SFHVURJKSA-N -1 1 408.523 4.329 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N3CCCCC3)nc2)c1 ZINC000010275250 845640957 /nfs/dbraw/zinc/64/09/57/845640957.db2.gz JNOGHVLVHYKFOC-UHFFFAOYSA-N -1 1 422.558 4.330 20 0 HIADMM O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)[N-]C(=O)c1ccccc1 ZINC000010364240 845650324 /nfs/dbraw/zinc/65/03/24/845650324.db2.gz ATHUBBDGZIEQTJ-UHFFFAOYSA-N -1 1 423.852 4.032 20 0 HIADMM Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)ccc2[nH]1 ZINC000010896489 845723683 /nfs/dbraw/zinc/72/36/83/845723683.db2.gz DXBLJFBWTDFHRU-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc3cccnc32)cc1 ZINC000010913515 845726128 /nfs/dbraw/zinc/72/61/28/845726128.db2.gz FTELIUPLWUCMHW-UHFFFAOYSA-N -1 1 405.483 4.193 20 0 HIADMM O=C(Nc1cccc2cccnc21)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000010914129 845726660 /nfs/dbraw/zinc/72/66/60/845726660.db2.gz YEOZJBFKDWFULZ-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000010976732 845735986 /nfs/dbraw/zinc/73/59/86/845735986.db2.gz RRPZDAPUNIYGTF-UHFFFAOYSA-N -1 1 418.537 4.046 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(Br)c1 ZINC000014255872 845932992 /nfs/dbraw/zinc/93/29/92/845932992.db2.gz BFIXOAYXWBIXJP-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)c(=O)[n-]1 ZINC000014349859 845939902 /nfs/dbraw/zinc/93/99/02/845939902.db2.gz FDQOIMHLZAYYTO-UHFFFAOYSA-N -1 1 409.511 4.472 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000014361706 845940404 /nfs/dbraw/zinc/94/04/04/845940404.db2.gz DBTHXIJPVADKTB-UHFFFAOYSA-N -1 1 413.528 4.046 20 0 HIADMM CCc1cc2c(COC(=O)c3cc(Br)ccc3F)cc(=O)oc2cc1[O-] ZINC000014598986 845961377 /nfs/dbraw/zinc/96/13/77/845961377.db2.gz QTNAPSIMZZCLAK-UHFFFAOYSA-N -1 1 421.218 4.320 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCCSCc1ccccc1F ZINC000014701477 845970923 /nfs/dbraw/zinc/97/09/23/845970923.db2.gz DWQWMBRFNSUFGO-UHFFFAOYSA-N -1 1 422.576 4.248 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)N[N-]C(=O)c1c(C)onc1-c1ccccc1 ZINC000014939768 845994502 /nfs/dbraw/zinc/99/45/02/845994502.db2.gz QJHVJHAXQRNRNC-UHFFFAOYSA-N -1 1 418.478 4.157 20 0 HIADMM Cc1cccc(N2C(=O)C(=Cc3ccc([O-])c(Br)c3)NC2=S)c1C ZINC000015254849 846023937 /nfs/dbraw/zinc/02/39/37/846023937.db2.gz DOAWXEKPTTWRNE-NTEUORMPSA-N -1 1 403.301 4.034 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000015340170 846037083 /nfs/dbraw/zinc/03/70/83/846037083.db2.gz YRNGSJWLJHAZMA-MRXNPFEDSA-N -1 1 412.486 4.426 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000015354059 846038829 /nfs/dbraw/zinc/03/88/29/846038829.db2.gz RYYBGTAFUCQEJL-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)cc1 ZINC000015563515 846062770 /nfs/dbraw/zinc/06/27/70/846062770.db2.gz SGEUKZIYYSFKSD-UHFFFAOYSA-N -1 1 422.506 4.089 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc(F)c(F)c1 ZINC000015588307 846067992 /nfs/dbraw/zinc/06/79/92/846067992.db2.gz FCWBLAJEWWPVLW-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccc(F)c(F)c1 ZINC000015588828 846068122 /nfs/dbraw/zinc/06/81/22/846068122.db2.gz ATGQXHWHEUICRT-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NC1CCCCCC1 ZINC000015617557 846074056 /nfs/dbraw/zinc/07/40/56/846074056.db2.gz LTGABEXWKVCZRR-UHFFFAOYSA-N -1 1 404.507 4.008 20 0 HIADMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000015796604 846092231 /nfs/dbraw/zinc/09/22/31/846092231.db2.gz GRPJELZUGOOEKK-CYBMUJFWSA-N -1 1 410.898 4.295 20 0 HIADMM CC(C)=CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000015895865 846101682 /nfs/dbraw/zinc/10/16/82/846101682.db2.gz PCVPNAIUCMFRJS-UHFFFAOYSA-N -1 1 423.332 4.463 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)C1CCCC1 ZINC000015892058 846102182 /nfs/dbraw/zinc/10/21/82/846102182.db2.gz FQBIILKARBFUEP-UHFFFAOYSA-N -1 1 408.907 4.278 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c(O)c1 ZINC000015923020 846104016 /nfs/dbraw/zinc/10/40/16/846104016.db2.gz KKBBVAHVSUCVTJ-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015976790 846106296 /nfs/dbraw/zinc/10/62/96/846106296.db2.gz VZWOIDROOHCMRR-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000016095509 846123816 /nfs/dbraw/zinc/12/38/16/846123816.db2.gz VCYUBYWRRNPAGX-UHFFFAOYSA-N -1 1 421.733 4.284 20 0 HIADMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000016598305 846188537 /nfs/dbraw/zinc/18/85/37/846188537.db2.gz QZWQNYUAJQCQBE-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000016601580 846189462 /nfs/dbraw/zinc/18/94/62/846189462.db2.gz YZVUOMUMBSBGAW-ZDUSSCGKSA-N -1 1 414.449 4.425 20 0 HIADMM COc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000016600715 846189780 /nfs/dbraw/zinc/18/97/80/846189780.db2.gz NJJDMHOMSSJNOL-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(C)cc3)cc2)cc1 ZINC000016645199 846194101 /nfs/dbraw/zinc/19/41/01/846194101.db2.gz KYGAGKSXRLPSFB-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM Cc1ccc(Cn2c(=O)c3ccccc3nc2SCC(=O)c2ccc([O-])cc2)cc1 ZINC000016822159 846214393 /nfs/dbraw/zinc/21/43/93/846214393.db2.gz IFQCTXJJCUUJQI-UHFFFAOYSA-N -1 1 416.502 4.434 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccccc3)cc2)c1 ZINC000017298640 846241297 /nfs/dbraw/zinc/24/12/97/846241297.db2.gz HQHRJTIIWKKXLN-UHFFFAOYSA-N -1 1 422.550 4.467 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)cc1C ZINC000017357596 846249870 /nfs/dbraw/zinc/24/98/70/846249870.db2.gz NFQZDNMAVBJGQI-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM CCCCOCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000017441936 846252579 /nfs/dbraw/zinc/25/25/79/846252579.db2.gz PGZXMAJBSWNIQX-UHFFFAOYSA-N -1 1 424.950 4.077 20 0 HIADMM O=C(Nc1ccncc1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000017585761 846259980 /nfs/dbraw/zinc/25/99/80/846259980.db2.gz BLUSFYHUPQCUDE-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM CN(Cc1ccco1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000017958384 846280218 /nfs/dbraw/zinc/28/02/18/846280218.db2.gz DEBRUZLFXSKMBZ-UHFFFAOYSA-N -1 1 422.865 4.145 20 0 HIADMM O=C(N[C@H]1CCSc2ccccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000018134378 846300742 /nfs/dbraw/zinc/30/07/42/846300742.db2.gz JOVARGAWAZMOKT-FQEVSTJZSA-N -1 1 424.547 4.454 20 0 HIADMM CCN(Cc1cccs1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000018154826 846303475 /nfs/dbraw/zinc/30/34/75/846303475.db2.gz XBAOQQJEPFVCFQ-UHFFFAOYSA-N -1 1 418.515 4.350 20 0 HIADMM Cc1ccc(CSCCNC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000018202300 846309033 /nfs/dbraw/zinc/30/90/33/846309033.db2.gz RSTRIBOORBPQNI-UHFFFAOYSA-N -1 1 404.586 4.027 20 0 HIADMM COc1ccc(CC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1F ZINC000019474849 846365052 /nfs/dbraw/zinc/36/50/52/846365052.db2.gz JVSNMHXORMFEHG-UHFFFAOYSA-N -1 1 424.453 4.085 20 0 HIADMM CCc1cc2c(COC(=O)CCC(=O)c3ccc4c(c3)CCC4)cc(=O)oc2cc1[O-] ZINC000021119877 846405370 /nfs/dbraw/zinc/40/53/70/846405370.db2.gz SNEWDGVDJHOMSV-UHFFFAOYSA-N -1 1 420.461 4.256 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)cc1 ZINC000022287130 846552974 /nfs/dbraw/zinc/55/29/74/846552974.db2.gz KNVOZCLQGJFVJB-CQSZACIVSA-N -1 1 402.545 4.281 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(C(F)(F)F)c1 ZINC000022314119 846557151 /nfs/dbraw/zinc/55/71/51/846557151.db2.gz BEGUTDHSACVSBK-UHFFFAOYSA-N -1 1 400.422 4.390 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1F)c1c(Cl)cc(Br)cc1Cl ZINC000022455937 846572563 /nfs/dbraw/zinc/57/25/63/846572563.db2.gz ZQVMNAFQNVSYDX-UHFFFAOYSA-N -1 1 413.095 4.374 20 0 HIADMM COc1ccc(C(=O)[N-]C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)cc1 ZINC000022491912 846578216 /nfs/dbraw/zinc/57/82/16/846578216.db2.gz WWJQSDJFAHKDGD-UHFFFAOYSA-N -1 1 409.511 4.053 20 0 HIADMM O=C(CCc1ccsc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000022648479 846597513 /nfs/dbraw/zinc/59/75/13/846597513.db2.gz SOGOKDDZBSHBKX-UHFFFAOYSA-N -1 1 422.478 4.398 20 0 HIADMM O=C(Nc1ccncc1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000022745620 846614529 /nfs/dbraw/zinc/61/45/29/846614529.db2.gz FVWPITOUVWTYOY-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000022959959 846639885 /nfs/dbraw/zinc/63/98/85/846639885.db2.gz CKEJMDNUQRNWHM-UHFFFAOYSA-N -1 1 401.315 4.323 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](C)CC[C@H]2C)cc1 ZINC000436365833 861702073 /nfs/dbraw/zinc/70/20/73/861702073.db2.gz NCERROIGLDXJSC-GDBMZVCRSA-N -1 1 404.507 4.196 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3CCCCC3)cc2)cc1 ZINC000023020706 846649070 /nfs/dbraw/zinc/64/90/70/846649070.db2.gz NTZRIBNPSFDBBD-UHFFFAOYSA-N -1 1 414.527 4.000 20 0 HIADMM Cc1ccc(OCCN(C)C(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1 ZINC000024185009 846797369 /nfs/dbraw/zinc/79/73/69/846797369.db2.gz MDDMKPXGSJAGIP-UHFFFAOYSA-N -1 1 410.543 4.152 20 0 HIADMM Nc1c(Cl)cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1Cl ZINC000024372884 846819197 /nfs/dbraw/zinc/81/91/97/846819197.db2.gz LNIQKKRRHZJESP-UHFFFAOYSA-N -1 1 401.193 4.275 20 0 HIADMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000024427043 846823506 /nfs/dbraw/zinc/82/35/06/846823506.db2.gz BGWFTSUFRVMHKR-UHFFFAOYSA-N -1 1 402.303 4.324 20 0 HIADMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccc1N(C)C ZINC000024818454 846872488 /nfs/dbraw/zinc/87/24/88/846872488.db2.gz GSTXQKDGMBQLRO-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM COc1ccc(C)cc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000025555079 847001102 /nfs/dbraw/zinc/00/11/02/847001102.db2.gz LVKHMGZZFLHFOA-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CCCCOc1c(Cl)cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1OCC ZINC000026254848 847113290 /nfs/dbraw/zinc/11/32/90/847113290.db2.gz BMBPYWCVRAZCPC-UHFFFAOYSA-N -1 1 406.792 4.307 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(SC)sc3c2)cc1OC ZINC000026530704 847164945 /nfs/dbraw/zinc/16/49/45/847164945.db2.gz LWCJBJVOJWWTOI-UHFFFAOYSA-N -1 1 410.542 4.145 20 0 HIADMM CC(C)[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000027181343 847263525 /nfs/dbraw/zinc/26/35/25/847263525.db2.gz SCZKBKASCJFZTR-CYBMUJFWSA-N -1 1 412.914 4.396 20 0 HIADMM Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000027651602 847333065 /nfs/dbraw/zinc/33/30/65/847333065.db2.gz PIMRBWMDVNJLJD-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)Cc1c(Cl)cccc1Cl ZINC000028063594 847381098 /nfs/dbraw/zinc/38/10/98/847381098.db2.gz JUGRKFXYTUPTTR-UHFFFAOYSA-N -1 1 420.321 4.429 20 0 HIADMM Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000028151645 847389361 /nfs/dbraw/zinc/38/93/61/847389361.db2.gz UXQCBVRYTIYOLP-UHFFFAOYSA-N -1 1 420.874 4.103 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1OCC ZINC000028246770 847398120 /nfs/dbraw/zinc/39/81/20/847398120.db2.gz ZJJUPDQRQITSEL-UHFFFAOYSA-N -1 1 414.321 4.356 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000028494791 847427618 /nfs/dbraw/zinc/42/76/18/847427618.db2.gz FKILAHBKIOVSPK-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000028842738 847468328 /nfs/dbraw/zinc/46/83/28/847468328.db2.gz AYOZJVZJQACLAH-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000029046981 847497750 /nfs/dbraw/zinc/49/77/50/847497750.db2.gz WWBXVXVJTAVKRT-UHFFFAOYSA-N -1 1 424.950 4.012 20 0 HIADMM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000029353049 847550193 /nfs/dbraw/zinc/55/01/93/847550193.db2.gz XHAJDGFTQKIEIU-UHFFFAOYSA-N -1 1 424.507 4.191 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CC3(Cl)Cl)ccc2C)c1 ZINC000029897378 847643838 /nfs/dbraw/zinc/64/38/38/847643838.db2.gz FREDTKNSNOJJSJ-OAHLLOKOSA-N -1 1 413.326 4.237 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1 ZINC000030000998 847667676 /nfs/dbraw/zinc/66/76/76/847667676.db2.gz WUGMFCIFKJKDIW-QFBILLFUSA-N -1 1 400.544 4.447 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)Nc3cccc(C)c3)c2)c1 ZINC000030016961 847671157 /nfs/dbraw/zinc/67/11/57/847671157.db2.gz PHHLBJGIWDWHEE-UHFFFAOYSA-N -1 1 406.438 4.222 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCC[C@H](C)C3)cc2)cc1 ZINC000030016639 847671750 /nfs/dbraw/zinc/67/17/50/847671750.db2.gz PHNFEKBCZCZBEZ-LPHOPBHVSA-N -1 1 416.543 4.195 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3Cc4ccccc4O3)ccc2C)c1 ZINC000030019982 847672880 /nfs/dbraw/zinc/67/28/80/847672880.db2.gz VJBBFYUMEYWPGH-NRFANRHFSA-N -1 1 422.506 4.046 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3C)c2)cc1 ZINC000030381983 847709832 /nfs/dbraw/zinc/70/98/32/847709832.db2.gz PIUKRQKIAZYEKP-LAUBAEHRSA-N -1 1 400.544 4.447 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NNc2cccc(Cl)c2)cc1 ZINC000030569343 847738420 /nfs/dbraw/zinc/73/84/20/847738420.db2.gz ZYPGMTJTSDZCPU-UHFFFAOYSA-N -1 1 417.922 4.193 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000436499120 861825633 /nfs/dbraw/zinc/82/56/33/861825633.db2.gz QEXPBPUBSBDMLF-NSHDSACASA-N -1 1 419.250 4.455 20 0 HIADMM CCCN(C(=O)c1cc(Br)ccc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000436511129 861830173 /nfs/dbraw/zinc/83/01/73/861830173.db2.gz HTZQMHADFDPHPP-CQSZACIVSA-N -1 1 419.319 4.424 20 0 HIADMM O=C(N[C@H](c1ccccc1)C1CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000031040853 847813358 /nfs/dbraw/zinc/81/33/58/847813358.db2.gz XYBGQTFKGKUKET-JOCHJYFZSA-N -1 1 406.507 4.369 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000031039383 847813455 /nfs/dbraw/zinc/81/34/55/847813455.db2.gz SGXOWHHIYAQQCQ-HXUWFJFHSA-N -1 1 408.527 4.274 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NCCCC1CCCC1 ZINC000031146325 847830229 /nfs/dbraw/zinc/83/02/29/847830229.db2.gz CQGIURZAYCYHRR-UHFFFAOYSA-N -1 1 418.534 4.256 20 0 HIADMM CCCN(C(=O)c1ccc(Br)cc1[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000436533317 861839362 /nfs/dbraw/zinc/83/93/62/861839362.db2.gz IPNVWPLNERSYLY-ZDUSSCGKSA-N -1 1 405.292 4.034 20 0 HIADMM CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436530110 861837186 /nfs/dbraw/zinc/83/71/86/861837186.db2.gz DALNVIWHODCWOW-HNNXBMFYSA-N -1 1 405.878 4.137 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC(C)C)cc2)cc1 ZINC000031377009 847870739 /nfs/dbraw/zinc/87/07/39/847870739.db2.gz YOBFHUBNCLZNJU-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3C)cc2)cc1 ZINC000031382970 847873119 /nfs/dbraw/zinc/87/31/19/847873119.db2.gz VCNXAPMHOPYLCU-IIBYNOLFSA-N -1 1 416.543 4.147 20 0 HIADMM CSCC[C@@H](C)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436535391 861840209 /nfs/dbraw/zinc/84/02/09/861840209.db2.gz KGCWRAQVTOGOGP-GFCCVEGCSA-N -1 1 408.470 4.136 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3cccs3)ccc2C)c1 ZINC000031519559 847899763 /nfs/dbraw/zinc/89/97/63/847899763.db2.gz LKWPPOYSAOMJQX-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccc3N3CCc4ccccc43)ccc2o1 ZINC000031535013 847902214 /nfs/dbraw/zinc/90/22/14/847902214.db2.gz KOMLWLDQDLBVSZ-UHFFFAOYSA-N -1 1 418.474 4.288 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cccc(OCc4ccccc4)n3)no2)c1 ZINC000436543514 861843502 /nfs/dbraw/zinc/84/35/02/861843502.db2.gz LVEWLQNYANXCFW-UHFFFAOYSA-N -1 1 402.410 4.042 20 0 HIADMM CC(C)Cn1ccnc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436542330 861843788 /nfs/dbraw/zinc/84/37/88/861843788.db2.gz GBKZPOHGLQNFHL-UHFFFAOYSA-N -1 1 414.412 4.028 20 0 HIADMM CC(C)(NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1nccs1 ZINC000436545059 861844321 /nfs/dbraw/zinc/84/43/21/861844321.db2.gz FWHMUCZGWQYWAD-UHFFFAOYSA-N -1 1 417.437 4.044 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC000031681494 847928429 /nfs/dbraw/zinc/92/84/29/847928429.db2.gz LYCOPOQBDREEGR-GOSISDBHSA-N -1 1 400.544 4.366 20 0 HIADMM CN(CCc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436552142 861847889 /nfs/dbraw/zinc/84/78/89/861847889.db2.gz BSARHJLNXUYTBW-UHFFFAOYSA-N -1 1 413.109 4.232 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc1 ZINC000031801961 847952033 /nfs/dbraw/zinc/95/20/33/847952033.db2.gz CXAGZZZSXUBXLN-UHFFFAOYSA-N -1 1 416.510 4.320 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1 ZINC000031802003 847952673 /nfs/dbraw/zinc/95/26/73/847952673.db2.gz JFCLIGPLIAZWAU-UHFFFAOYSA-N -1 1 416.510 4.320 20 0 HIADMM O=C(Nc1ccc(C(=O)NCc2ccc(F)c(F)c2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436558693 861850599 /nfs/dbraw/zinc/85/05/99/861850599.db2.gz YOPHFZVXQBBALC-UHFFFAOYSA-N -1 1 418.346 4.131 20 0 HIADMM C#Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)c1 ZINC000032005447 847978113 /nfs/dbraw/zinc/97/81/13/847978113.db2.gz PVVSMGGVBGLPFW-UHFFFAOYSA-N -1 1 408.454 4.169 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000436560528 861851647 /nfs/dbraw/zinc/85/16/47/861851647.db2.gz DJWMKJWMVHRJPD-IVZQSRNASA-N -1 1 409.873 4.290 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC000032097397 847986844 /nfs/dbraw/zinc/98/68/44/847986844.db2.gz SLBCPBAMWKQIEZ-UHFFFAOYSA-N -1 1 402.472 4.021 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4oc(C(C)C)nc4c3)cc2C[C@@H]1C ZINC000032097679 847987346 /nfs/dbraw/zinc/98/73/46/847987346.db2.gz ABKMALGHEBJHLW-ZDUSSCGKSA-N -1 1 413.499 4.050 20 0 HIADMM COc1cc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)ccc1[N-]S(C)(=O)=O ZINC000032169984 847989913 /nfs/dbraw/zinc/98/99/13/847989913.db2.gz WCIPQBSBTWGLMP-UHFFFAOYSA-N -1 1 422.934 4.171 20 0 HIADMM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3ccccc3cc2[O-])c1C ZINC000436562622 861852648 /nfs/dbraw/zinc/85/26/48/861852648.db2.gz LAOZBQXJCXDTLY-HXUWFJFHSA-N -1 1 406.507 4.316 20 0 HIADMM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc3ccccc3c2[O-])c1C ZINC000436564648 861853500 /nfs/dbraw/zinc/85/35/00/861853500.db2.gz QQVJVQUNPDZIIZ-FQEVSTJZSA-N -1 1 406.507 4.316 20 0 HIADMM C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436566329 861854240 /nfs/dbraw/zinc/85/42/40/861854240.db2.gz LHVBGWXGSFKTLQ-ZDUSSCGKSA-N -1 1 423.738 4.327 20 0 HIADMM CCOc1ccc(OCC)c(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)c1 ZINC000032452427 848030743 /nfs/dbraw/zinc/03/07/43/848030743.db2.gz SFOLTJZBNJYOOR-UHFFFAOYSA-N -1 1 412.515 4.352 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C[C@H]1C ZINC000436575105 861857607 /nfs/dbraw/zinc/85/76/07/861857607.db2.gz MTJNLIPVQBGNKE-BETUJISGSA-N -1 1 417.303 4.135 20 0 HIADMM CN(Cc1ccc(Cl)s1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000032502426 848040820 /nfs/dbraw/zinc/04/08/20/848040820.db2.gz BILOLSLGMIXBAT-UHFFFAOYSA-N -1 1 420.943 4.475 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c2ccccc12 ZINC000032591068 848051311 /nfs/dbraw/zinc/05/13/11/848051311.db2.gz CGXAPVNBGXULIB-UHFFFAOYSA-N -1 1 418.902 4.180 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1Cl ZINC000032597255 848052513 /nfs/dbraw/zinc/05/25/13/848052513.db2.gz XNQXSHRCWWQZSN-UHFFFAOYSA-N -1 1 404.875 4.123 20 0 HIADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000032630323 848055789 /nfs/dbraw/zinc/05/57/89/848055789.db2.gz QXWJUGDHHPZNJT-UHFFFAOYSA-N -1 1 407.706 4.149 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCCCC2)c([O-])c1)c1cccc(Br)c1 ZINC000032743830 848070443 /nfs/dbraw/zinc/07/04/43/848070443.db2.gz DRQBPLSMHUBBQQ-UHFFFAOYSA-N -1 1 403.276 4.033 20 0 HIADMM Cc1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])ccc2o1 ZINC000436600406 861863988 /nfs/dbraw/zinc/86/39/88/861863988.db2.gz HNAIHFAMGICRDC-HXUWFJFHSA-N -1 1 415.449 4.238 20 0 HIADMM O=C(Nc1ccc(C(=O)N(CC(F)F)CC2CCC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436604876 861866810 /nfs/dbraw/zinc/86/68/10/861866810.db2.gz OKKORPONYBYFQY-UHFFFAOYSA-N -1 1 424.394 4.430 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCC[C@H](C)C3)cc2)ccc1F ZINC000033181656 848120884 /nfs/dbraw/zinc/12/08/84/848120884.db2.gz QYGIEWQCYSKHGN-KSSFIOAISA-N -1 1 404.507 4.243 20 0 HIADMM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(F)cc1F ZINC000436608368 861868361 /nfs/dbraw/zinc/86/83/61/861868361.db2.gz UEHPTZVLUASOLV-SPLOXXLWSA-N -1 1 424.447 4.306 20 0 HIADMM O=C(C[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000436609204 861868845 /nfs/dbraw/zinc/86/88/45/861868845.db2.gz VQZNCAYEUWYYBV-OAHLLOKOSA-N -1 1 406.251 4.171 20 0 HIADMM C[C@H](c1cccs1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000033235277 848131619 /nfs/dbraw/zinc/13/16/19/848131619.db2.gz MSTRRKYWEKGFCW-OAHLLOKOSA-N -1 1 400.525 4.382 20 0 HIADMM COc1ccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)cc1 ZINC000033542576 848137089 /nfs/dbraw/zinc/13/70/89/848137089.db2.gz SVWXAABQXLSLQU-UHFFFAOYSA-N -1 1 407.451 4.213 20 0 HIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000037415559 848174124 /nfs/dbraw/zinc/17/41/24/848174124.db2.gz UEQJULRYYBJFJK-UHFFFAOYSA-N -1 1 405.111 4.321 20 0 HIADMM CSc1nc(C)c(CCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(=O)[n-]1 ZINC000041532972 848227165 /nfs/dbraw/zinc/22/71/65/848227165.db2.gz CURRTRCODAOOJW-HNNXBMFYSA-N -1 1 410.524 4.145 20 0 HIADMM Cc1ccc2c(c1)CCN(C(=O)[C@@H]1CCCN1C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000436662770 861886780 /nfs/dbraw/zinc/88/67/80/861886780.db2.gz HLDMZBYHPKBAED-QHCPKHFHSA-N -1 1 414.505 4.043 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000042091603 848284348 /nfs/dbraw/zinc/28/43/48/848284348.db2.gz WVHGAFTZWKOMCZ-UHFFFAOYSA-N -1 1 412.449 4.114 20 0 HIADMM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436666763 861888275 /nfs/dbraw/zinc/88/82/75/861888275.db2.gz RRLNMQXQHOWPQH-UHFFFAOYSA-N -1 1 411.461 4.086 20 0 HIADMM Cc1cc(=O)c(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)c2n1CCC2 ZINC000436670738 861889154 /nfs/dbraw/zinc/88/91/54/861889154.db2.gz GVCPALZQSZXUIV-UHFFFAOYSA-N -1 1 415.449 4.105 20 0 HIADMM CCc1csc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436688174 861894497 /nfs/dbraw/zinc/89/44/97/861894497.db2.gz SYBHKWAOUBYOLJ-UHFFFAOYSA-N -1 1 403.410 4.194 20 0 HIADMM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1cccs1 ZINC000436678051 861891770 /nfs/dbraw/zinc/89/17/70/861891770.db2.gz AQXJXNOQXGDPES-LJQANCHMSA-N -1 1 422.550 4.306 20 0 HIADMM O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436678351 861891957 /nfs/dbraw/zinc/89/19/57/861891957.db2.gz GKSVYSHDSYPZQF-UHFFFAOYSA-N -1 1 408.885 4.187 20 0 HIADMM O=C(NCC1(c2ccccc2)CC1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436684602 861893517 /nfs/dbraw/zinc/89/35/17/861893517.db2.gz CSUPDDZNHBSFHF-UHFFFAOYSA-N -1 1 422.431 4.384 20 0 HIADMM CCOc1cc(-c2noc(C[C@@H]3CCO[C@H](CC)C3)n2)cc(Br)c1[O-] ZINC000436695971 861895731 /nfs/dbraw/zinc/89/57/31/861895731.db2.gz HAQORPGUVVOFNV-DGCLKSJQSA-N -1 1 411.296 4.351 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccsc3)cc2)c1 ZINC000042971539 848369997 /nfs/dbraw/zinc/36/99/97/848369997.db2.gz KIIOZAQLXCEVBX-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM CCOc1ccc(C2=CCN(C(=O)c3cc(Br)ccc3[O-])CC2)cc1 ZINC000436699225 861896923 /nfs/dbraw/zinc/89/69/23/861896923.db2.gz SSQQRVODRLBFBT-UHFFFAOYSA-N -1 1 402.288 4.483 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCC(F)(F)CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436698595 861897049 /nfs/dbraw/zinc/89/70/49/861897049.db2.gz QMDFLOJMFYLIAI-UHFFFAOYSA-N -1 1 410.367 4.230 20 0 HIADMM O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043192723 848396694 /nfs/dbraw/zinc/39/66/94/848396694.db2.gz UUMWRLNOAIINEI-UHFFFAOYSA-N -1 1 408.376 4.418 20 0 HIADMM CCOc1cc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])cc(Cl)c1[O-] ZINC000044026766 848502737 /nfs/dbraw/zinc/50/27/37/848502737.db2.gz POLZBNKNOZQKQX-VOTSOKGWSA-N -1 1 413.817 4.218 20 0 HIADMM Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436735162 861919008 /nfs/dbraw/zinc/91/90/08/861919008.db2.gz DANDBMIJCHHEJG-AWEZNQCLSA-N -1 1 403.404 4.318 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)[C@H]3CCCc4ccccc43)n2)n[n-]c1=S ZINC000045074667 848629880 /nfs/dbraw/zinc/62/98/80/848629880.db2.gz CNJZDBTVNKTXBC-INIZCTEOSA-N -1 1 411.556 4.233 20 0 HIADMM CCN(CCc1cccs1)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436742675 861926047 /nfs/dbraw/zinc/92/60/47/861926047.db2.gz WRIKHGGMBSIZKD-OAQYLSRUSA-N -1 1 422.550 4.303 20 0 HIADMM Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cccc1N(C)C ZINC000436743114 861929052 /nfs/dbraw/zinc/92/90/52/861929052.db2.gz WUDDPBFNFHAKJX-QFIPXVFZSA-N -1 1 417.509 4.163 20 0 HIADMM CCCCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1)C1CC1 ZINC000045369221 848671424 /nfs/dbraw/zinc/67/14/24/848671424.db2.gz PPPRCYMYQNDYST-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)cc1 ZINC000436751280 861934492 /nfs/dbraw/zinc/93/44/92/861934492.db2.gz RIOZVRINIDEIMG-OAHLLOKOSA-N -1 1 401.894 4.028 20 0 HIADMM C[C@@H](OCCCNC(=O)CCn1c(=S)[n-]nc1-c1cccs1)c1ccccc1 ZINC000045872200 848744661 /nfs/dbraw/zinc/74/46/61/848744661.db2.gz NANIFOSTGSRZQL-OAHLLOKOSA-N -1 1 416.572 4.343 20 0 HIADMM COC1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CC1 ZINC000436755525 861940417 /nfs/dbraw/zinc/94/04/17/861940417.db2.gz NZOYSFRQVZISDA-UHFFFAOYSA-N -1 1 423.296 4.202 20 0 HIADMM COc1cc(NC(=O)c2sccc2-c2ccc(C)cc2)ccc1[N-]S(C)(=O)=O ZINC000046378235 848836272 /nfs/dbraw/zinc/83/62/72/848836272.db2.gz KXXNCAQBCYMMDI-UHFFFAOYSA-N -1 1 416.524 4.356 20 0 HIADMM COc1ccccc1CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588424 848880971 /nfs/dbraw/zinc/88/09/71/848880971.db2.gz JMZVWQRTCIWKDS-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM O=C(Cc1ccccc1Cl)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588501 848881105 /nfs/dbraw/zinc/88/11/05/848881105.db2.gz JARNRHLCMKVVFZ-UHFFFAOYSA-N -1 1 400.887 4.322 20 0 HIADMM Cc1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000046592037 848882107 /nfs/dbraw/zinc/88/21/07/848882107.db2.gz AERGKZXGJBEAJO-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM C[C@H](Oc1cccc(F)c1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611903 848886029 /nfs/dbraw/zinc/88/60/29/848886029.db2.gz VFIRXOIJCVTHLZ-HNNXBMFYSA-N -1 1 414.458 4.033 20 0 HIADMM O=C(Cc1cccc2cccnc21)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611879 848886040 /nfs/dbraw/zinc/88/60/40/848886040.db2.gz IXXMMGIEQVUJSH-UHFFFAOYSA-N -1 1 417.490 4.217 20 0 HIADMM O=C(NCCc1ccc[nH]1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436765525 861957311 /nfs/dbraw/zinc/95/73/11/861957311.db2.gz PQNZKNJKZPRLJO-UHFFFAOYSA-N -1 1 418.280 4.252 20 0 HIADMM CCOc1cc(-c2noc(-c3cnc4onc(C)c4c3)n2)cc(Br)c1[O-] ZINC000436769641 861959797 /nfs/dbraw/zinc/95/97/97/861959797.db2.gz MJVWDDTYJYPXNH-UHFFFAOYSA-N -1 1 417.219 4.115 20 0 HIADMM CCOc1cc(-c2noc(COc3cccc(F)c3)n2)cc(Br)c1[O-] ZINC000436771731 861962111 /nfs/dbraw/zinc/96/21/11/861962111.db2.gz YBSKDHJZAKRMMB-UHFFFAOYSA-N -1 1 409.211 4.322 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1OCC ZINC000047317829 849024383 /nfs/dbraw/zinc/02/43/83/849024383.db2.gz JITPHBPNKOSSHA-UHFFFAOYSA-N -1 1 418.284 4.186 20 0 HIADMM O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1ccc2c(c1)CCCC2 ZINC000047417153 849043283 /nfs/dbraw/zinc/04/32/83/849043283.db2.gz SQRRZFZYLPOXBR-UHFFFAOYSA-N -1 1 403.554 4.369 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCCCCCC3)c([O-])c2)c1 ZINC000047526594 849064155 /nfs/dbraw/zinc/06/41/55/849064155.db2.gz IYBUFDSXVSTACD-UHFFFAOYSA-N -1 1 412.486 4.068 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1C ZINC000047585307 849078114 /nfs/dbraw/zinc/07/81/14/849078114.db2.gz LZIYQTXUVVUUBZ-UHFFFAOYSA-N -1 1 403.472 4.136 20 0 HIADMM O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047714233 849095772 /nfs/dbraw/zinc/09/57/72/849095772.db2.gz FETDBEGCAGFUSC-UHFFFAOYSA-N -1 1 408.376 4.260 20 0 HIADMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1nc(-c2ccncc2)cs1 ZINC000436791846 861983812 /nfs/dbraw/zinc/98/38/12/861983812.db2.gz LLXTVPVXKLIPCV-SNVBAGLBSA-N -1 1 404.289 4.164 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000436808120 861995865 /nfs/dbraw/zinc/99/58/65/861995865.db2.gz KTSUXBXKDXVUGH-MZNJEOGPSA-N -1 1 403.482 4.075 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1(F)F ZINC000436819981 862002486 /nfs/dbraw/zinc/00/24/86/862002486.db2.gz PCXMSQHLGCIEFR-NSHDSACASA-N -1 1 410.367 4.040 20 0 HIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000050534051 849392673 /nfs/dbraw/zinc/39/26/73/849392673.db2.gz QENKYZKQJULJRK-UHFFFAOYSA-N -1 1 414.449 4.200 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000050603227 849397579 /nfs/dbraw/zinc/39/75/79/849397579.db2.gz BSDGGHSWQAIVFB-UHFFFAOYSA-N -1 1 401.348 4.136 20 0 HIADMM [O-]c1ccc(-c2noc([C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)cc1F ZINC000436874857 862052030 /nfs/dbraw/zinc/05/20/30/862052030.db2.gz SFWPNFALNIOYBG-QGZVFWFLSA-N -1 1 424.259 4.310 20 0 HIADMM O=C(COc1ccccc1-c1nc(-c2ccc([O-])cc2F)no1)Nc1ccccc1F ZINC000436880495 862058945 /nfs/dbraw/zinc/05/89/45/862058945.db2.gz RHRUFXDYYZHQED-UHFFFAOYSA-N -1 1 423.375 4.405 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000053797246 849759115 /nfs/dbraw/zinc/75/91/15/849759115.db2.gz HIDMTDBCGBORMC-UHFFFAOYSA-N -1 1 401.323 4.430 20 0 HIADMM COc1cc(-c2noc([C@@H]3CCC(=O)[C@@H](C)C3(C)C)n2)cc(Br)c1[O-] ZINC000436877505 862054182 /nfs/dbraw/zinc/05/41/82/862054182.db2.gz GVRRGPYCSFJMJS-KOLCDFICSA-N -1 1 409.280 4.322 20 0 HIADMM CCCC(=O)N1CCCC[C@H]1c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436880872 862059720 /nfs/dbraw/zinc/05/97/20/862059720.db2.gz UDKCEOQURSNJGK-ZDUSSCGKSA-N -1 1 424.295 4.067 20 0 HIADMM CO[C@](C)(C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccccc1F ZINC000436882648 862062362 /nfs/dbraw/zinc/06/23/62/862062362.db2.gz UHDLLZHKJHGVSK-QHCPKHFHSA-N -1 1 414.477 4.094 20 0 HIADMM O=C(Nc1ccc(-c2nc(C3CC3)no2)c([O-])c1)c1cccc(Br)c1 ZINC000436895702 862071825 /nfs/dbraw/zinc/07/18/25/862071825.db2.gz YJCHTDMOVSPETE-UHFFFAOYSA-N -1 1 400.232 4.334 20 0 HIADMM CC1CCN(c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3Cl)s2)CC1 ZINC000055117607 849972997 /nfs/dbraw/zinc/97/29/97/849972997.db2.gz IRLATRJUDBDZNO-CYBMUJFWSA-N -1 1 400.331 4.052 20 0 HIADMM C[C@@H]1CCCN(c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3Cl)s2)C1 ZINC000055117814 849973451 /nfs/dbraw/zinc/97/34/51/849973451.db2.gz BWIXRSUKBMAAOA-MFKMUULPSA-N -1 1 400.331 4.052 20 0 HIADMM O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436907240 862084410 /nfs/dbraw/zinc/08/44/10/862084410.db2.gz FECFRHXJHKFBHB-UHFFFAOYSA-N -1 1 401.344 4.371 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1 ZINC000055567543 850056617 /nfs/dbraw/zinc/05/66/17/850056617.db2.gz ZSELXGCCDFYPRP-UHFFFAOYSA-N -1 1 412.511 4.131 20 0 HIADMM Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)[nH]n1 ZINC000436909563 862086027 /nfs/dbraw/zinc/08/60/27/862086027.db2.gz PFHGLFPLBYXJMB-UHFFFAOYSA-N -1 1 414.680 4.345 20 0 HIADMM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1Cl ZINC000055574128 850059498 /nfs/dbraw/zinc/05/94/98/850059498.db2.gz JMTPUEPXFJZCAN-UHFFFAOYSA-N -1 1 414.083 4.278 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000055584805 850064257 /nfs/dbraw/zinc/06/42/57/850064257.db2.gz JEPICBDEPUWARA-UHFFFAOYSA-N -1 1 408.907 4.203 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000055592113 850068127 /nfs/dbraw/zinc/06/81/27/850068127.db2.gz KTRISDDRYLSQLT-UHFFFAOYSA-N -1 1 400.422 4.409 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1c[nH]nc1-c1ccccc1Cl ZINC000436917040 862098688 /nfs/dbraw/zinc/09/86/88/862098688.db2.gz YFGKWGYWQQWOFP-UHFFFAOYSA-N -1 1 415.240 4.127 20 0 HIADMM O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)C(=O)c1ccc([O-])cc1 ZINC000436918080 862099106 /nfs/dbraw/zinc/09/91/06/862099106.db2.gz DMFGHCHZRUTJGN-LJQANCHMSA-N -1 1 401.796 4.412 20 0 HIADMM COc1ccc([C@@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)N2CCCCC2)cc1 ZINC000436918904 862100762 /nfs/dbraw/zinc/10/07/62/862100762.db2.gz KZZJOMMDHZBKHX-LJQANCHMSA-N -1 1 406.885 4.150 20 0 HIADMM COc1ccc([C@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)N2CCCCC2)cc1 ZINC000436918902 862101368 /nfs/dbraw/zinc/10/13/68/862101368.db2.gz KZZJOMMDHZBKHX-IBGZPJMESA-N -1 1 406.885 4.150 20 0 HIADMM CCc1nc(C)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436922683 862102557 /nfs/dbraw/zinc/10/25/57/862102557.db2.gz ZPDDSMWQQYTFHC-QGZVFWFLSA-N -1 1 409.511 4.116 20 0 HIADMM O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436922311 862103109 /nfs/dbraw/zinc/10/31/09/862103109.db2.gz MSWJMONNOFZMMC-ZDUSSCGKSA-N -1 1 406.251 4.029 20 0 HIADMM COc1ccc(NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c(C(F)(F)F)c1 ZINC000056112936 850246132 /nfs/dbraw/zinc/24/61/32/850246132.db2.gz WRYIVLBFCKUKCF-UHFFFAOYSA-N -1 1 414.434 4.335 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000436933742 862113143 /nfs/dbraw/zinc/11/31/43/862113143.db2.gz QXBKLWZYIAMSGK-UKRRQHHQSA-N -1 1 411.380 4.013 20 0 HIADMM COc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)c2cccnc12 ZINC000056305235 850317531 /nfs/dbraw/zinc/31/75/31/850317531.db2.gz UYYJSQYYZBDHMP-UHFFFAOYSA-N -1 1 405.483 4.112 20 0 HIADMM Cn1c(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc2ccccc21 ZINC000056603336 850410244 /nfs/dbraw/zinc/41/02/44/850410244.db2.gz GNBWZDMNKSJKTG-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM COc1ccc(-c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)c([O-])c1 ZINC000436956563 862136090 /nfs/dbraw/zinc/13/60/90/862136090.db2.gz NIHYNQHJBSAYKA-UHFFFAOYSA-N -1 1 400.232 4.285 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N([C@@H](C)C3CC3)C3CC3)cc2)ccc1F ZINC000056935023 850519573 /nfs/dbraw/zinc/51/95/73/850519573.db2.gz QFRRWVNRZSBHIO-HNNXBMFYSA-N -1 1 416.518 4.338 20 0 HIADMM COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000057153216 850562771 /nfs/dbraw/zinc/56/27/71/850562771.db2.gz MTQYHLTYLHOOKE-FQEVSTJZSA-N -1 1 407.510 4.332 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c(OC(F)F)c2)c1 ZINC000436965148 862145621 /nfs/dbraw/zinc/14/56/21/862145621.db2.gz NEFVCJVGUOSZER-UHFFFAOYSA-N -1 1 417.368 4.103 20 0 HIADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1cccc(F)c1F ZINC000436968840 862149372 /nfs/dbraw/zinc/14/93/72/862149372.db2.gz XIIITKFSFSICTI-XOBRGWDASA-N -1 1 424.447 4.306 20 0 HIADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)c3ccccc3n4C)ccc21 ZINC000057452235 850640578 /nfs/dbraw/zinc/64/05/78/850640578.db2.gz AHOIVYMVVWGDSI-UHFFFAOYSA-N -1 1 419.506 4.041 20 0 HIADMM Cc1cc(C)cc(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436973046 862151934 /nfs/dbraw/zinc/15/19/34/862151934.db2.gz RWXOHOFZYJEWGI-QHCPKHFHSA-N -1 1 416.521 4.126 20 0 HIADMM CCCOc1cc(F)ccc1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436975602 862154228 /nfs/dbraw/zinc/15/42/28/862154228.db2.gz LMLPCCJFBFXXBJ-UHFFFAOYSA-N -1 1 413.405 4.121 20 0 HIADMM O=C(NCCC[C@@H]1CCCCO1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436976855 862155813 /nfs/dbraw/zinc/15/58/13/862155813.db2.gz CMYMEPVADAYYGP-SFHVURJKSA-N -1 1 418.440 4.002 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC(C)(C)CC)c2)cc1 ZINC000057882438 850737957 /nfs/dbraw/zinc/73/79/57/850737957.db2.gz OCIHEZBDGYVHPR-UHFFFAOYSA-N -1 1 424.950 4.458 20 0 HIADMM O=C(Cc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000058059007 850759564 /nfs/dbraw/zinc/75/95/64/850759564.db2.gz CABYFQAKRSOEFP-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM Cc1ccc(NC(=O)c2c(F)cccc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058150129 850773122 /nfs/dbraw/zinc/77/31/22/850773122.db2.gz KZAKUABUHMOWFL-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cc(Br)ccc1[O-] ZINC000436989422 862167676 /nfs/dbraw/zinc/16/76/76/862167676.db2.gz ZWHIXYYMPROIBA-UHFFFAOYSA-N -1 1 415.209 4.285 20 0 HIADMM CC(C)[C@H](C)N(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1CC1 ZINC000058262956 850789143 /nfs/dbraw/zinc/78/91/43/850789143.db2.gz GXIHIDDZRCIYCL-AWEZNQCLSA-N -1 1 422.497 4.415 20 0 HIADMM Cc1nc(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)oc1C ZINC000058302738 850797359 /nfs/dbraw/zinc/79/73/59/850797359.db2.gz HUJUXPUPZDRYGD-UHFFFAOYSA-N -1 1 420.874 4.103 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000058322665 850801186 /nfs/dbraw/zinc/80/11/86/850801186.db2.gz VXZNAUNCEDANIM-UHFFFAOYSA-N -1 1 424.404 4.154 20 0 HIADMM COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000437007516 862182307 /nfs/dbraw/zinc/18/23/07/862182307.db2.gz ZCVHHHVRLAOUPT-GOTSBHOMSA-N -1 1 401.462 4.341 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCc3ccc(F)cc32)c1 ZINC000059006072 850977561 /nfs/dbraw/zinc/97/75/61/850977561.db2.gz JLMURALVKSSJMY-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1Cc2ccccc2S1 ZINC000060401411 851088269 /nfs/dbraw/zinc/08/82/69/851088269.db2.gz CNUARJFRANINPR-HXUWFJFHSA-N -1 1 410.520 4.143 20 0 HIADMM Cc1cccc(C)c1OCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401476 851088505 /nfs/dbraw/zinc/08/85/05/851088505.db2.gz IEOYBWPGUZWGBG-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(F)c1 ZINC000060414606 851092183 /nfs/dbraw/zinc/09/21/83/851092183.db2.gz JAYLSROBMWFAHF-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(NCc1cc2ccccc2[nH]1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000060471217 851111092 /nfs/dbraw/zinc/11/10/92/851111092.db2.gz OIDZWLAPVLOQMS-UHFFFAOYSA-N -1 1 421.403 4.334 20 0 HIADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1cccc2ccccc21 ZINC000060617092 851168564 /nfs/dbraw/zinc/16/85/64/851168564.db2.gz HRSFRDTXXWJBAZ-UHFFFAOYSA-N -1 1 409.294 4.064 20 0 HIADMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cc([N+](=O)[O-])ccc3F)s2)cc1 ZINC000060737775 851200718 /nfs/dbraw/zinc/20/07/18/851200718.db2.gz DMEUFOIGBDTSKX-UHFFFAOYSA-N -1 1 415.431 4.002 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(CC)Cc2ccccc2)cc1 ZINC000061039331 851280711 /nfs/dbraw/zinc/28/07/11/851280711.db2.gz FYPJMAYIYFXNSR-UHFFFAOYSA-N -1 1 410.543 4.445 20 0 HIADMM CCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000061470898 851386814 /nfs/dbraw/zinc/38/68/14/851386814.db2.gz HXCJQRNNEXOELJ-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM O=C(NCCCOC1CCCC1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000061634148 851416943 /nfs/dbraw/zinc/41/69/43/851416943.db2.gz KCBCBWKRBZGAID-UHFFFAOYSA-N -1 1 418.440 4.002 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(C2CCCCC2)n1 ZINC000062294377 851525619 /nfs/dbraw/zinc/52/56/19/851525619.db2.gz KCSJFIHWIKGLDW-UHFFFAOYSA-N -1 1 408.545 4.309 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000062300266 851526885 /nfs/dbraw/zinc/52/68/85/851526885.db2.gz LAOCBVIOWXMTBX-IRLDBZIGSA-N -1 1 406.507 4.082 20 0 HIADMM O=C(CCc1ccccn1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000062931113 851607265 /nfs/dbraw/zinc/60/72/65/851607265.db2.gz WNLSFUQJAICWLB-UHFFFAOYSA-N -1 1 415.902 4.107 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1 ZINC000063149321 851621880 /nfs/dbraw/zinc/62/18/80/851621880.db2.gz AJHVESYGJARPBC-UHFFFAOYSA-N -1 1 402.516 4.183 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1 ZINC000063172782 851626210 /nfs/dbraw/zinc/62/62/10/851626210.db2.gz IKDXKNHDTFUGJV-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)cc1 ZINC000063173321 851627435 /nfs/dbraw/zinc/62/74/35/851627435.db2.gz CFRXKJBIPDENCY-UHFFFAOYSA-N -1 1 404.488 4.013 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1 ZINC000063177789 851628196 /nfs/dbraw/zinc/62/81/96/851628196.db2.gz HCXKPZHRZLSLJG-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM C[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000063273926 851647400 /nfs/dbraw/zinc/64/74/00/851647400.db2.gz PSUTXWVMZGWYHG-AWEZNQCLSA-N -1 1 408.470 4.028 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)ccc1Cl ZINC000063443997 851691268 /nfs/dbraw/zinc/69/12/68/851691268.db2.gz CNNHWISYZLTCSU-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1OCC(=O)[O-] ZINC000063476356 851700103 /nfs/dbraw/zinc/70/01/03/851700103.db2.gz JKPRGSUOCGFKFU-UHFFFAOYSA-N -1 1 413.451 4.052 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2ccccc2Cl)cc1 ZINC000063700585 851742971 /nfs/dbraw/zinc/74/29/71/851742971.db2.gz ZELSOGRPJWDCQU-UHFFFAOYSA-N -1 1 400.935 4.319 20 0 HIADMM Cc1ccc(OC[C@@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000063700658 851744618 /nfs/dbraw/zinc/74/46/18/851744618.db2.gz ZLKRFCBZUXSXHR-QGZVFWFLSA-N -1 1 410.543 4.198 20 0 HIADMM O=C(CSc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000063778632 851760544 /nfs/dbraw/zinc/76/05/44/851760544.db2.gz XZKVXFMIUWMCLZ-UHFFFAOYSA-N -1 1 416.499 4.357 20 0 HIADMM CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1Cl ZINC000063877785 851783038 /nfs/dbraw/zinc/78/30/38/851783038.db2.gz DDOMDNYDNGFYHX-UHFFFAOYSA-N -1 1 422.261 4.420 20 0 HIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1C ZINC000063912793 851792661 /nfs/dbraw/zinc/79/26/61/851792661.db2.gz HSFWLFGMWZTNSG-UHFFFAOYSA-N -1 1 404.385 4.221 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000064070007 851823255 /nfs/dbraw/zinc/82/32/55/851823255.db2.gz XHGGMLBNHHEDDT-UHFFFAOYSA-N -1 1 407.499 4.215 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)CC2CCCC2)cc1 ZINC000064088975 851826016 /nfs/dbraw/zinc/82/60/16/851826016.db2.gz ROJGDQLVWJBIRQ-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000064317204 851869300 /nfs/dbraw/zinc/86/93/00/851869300.db2.gz FMEOCJFOHQBTEY-QFIPXVFZSA-N -1 1 424.501 4.091 20 0 HIADMM Cc1ccc([C@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c2ccccc2)cc1 ZINC000064316959 851869592 /nfs/dbraw/zinc/86/95/92/851869592.db2.gz OCOVGZJUWRDWLS-RUZDIDTESA-N -1 1 414.509 4.199 20 0 HIADMM O=C1OCCN1c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064938043 852026693 /nfs/dbraw/zinc/02/66/93/852026693.db2.gz OTCJJJKKXZGJIK-UHFFFAOYSA-N -1 1 418.418 4.056 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000064938316 852027870 /nfs/dbraw/zinc/02/78/70/852027870.db2.gz SGCJYRUIIOKKDK-UHFFFAOYSA-N -1 1 410.333 4.485 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)c1ccc(F)cc1 ZINC000065160458 852080993 /nfs/dbraw/zinc/08/09/93/852080993.db2.gz JFBGHPSXBLWLDY-UHFFFAOYSA-N -1 1 416.449 4.351 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)cc1C ZINC000065223358 852089332 /nfs/dbraw/zinc/08/93/32/852089332.db2.gz OVHMTBCYOAFCTI-UHFFFAOYSA-N -1 1 416.543 4.094 20 0 HIADMM Cc1occc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000065688676 852219745 /nfs/dbraw/zinc/21/97/45/852219745.db2.gz NJNNOTABFMGGQL-UHFFFAOYSA-N -1 1 418.902 4.314 20 0 HIADMM Cc1occc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000065688932 852219924 /nfs/dbraw/zinc/21/99/24/852219924.db2.gz VTYGCIDYHIOARY-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCC(F)(F)F)cc2)c1C ZINC000065759160 852246572 /nfs/dbraw/zinc/24/65/72/852246572.db2.gz LWACCWKIYSFSNZ-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)cc1 ZINC000065833257 852275194 /nfs/dbraw/zinc/27/51/94/852275194.db2.gz ZPKBIODBSHQCAL-UHFFFAOYSA-N -1 1 412.511 4.411 20 0 HIADMM CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)CCS1 ZINC000437146843 862340754 /nfs/dbraw/zinc/34/07/54/862340754.db2.gz ZYIOKCKDMXRFJD-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1c(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)oc2c1c(C)ccc2C ZINC000065891599 852306510 /nfs/dbraw/zinc/30/65/10/852306510.db2.gz BRXFILNEDSWOTH-UHFFFAOYSA-N -1 1 407.495 4.392 20 0 HIADMM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000065912180 852312121 /nfs/dbraw/zinc/31/21/21/852312121.db2.gz XFJACSPZUDPNNO-UHFFFAOYSA-N -1 1 414.502 4.035 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000068846349 852373182 /nfs/dbraw/zinc/37/31/82/852373182.db2.gz FNPXBXZEHUUFRR-UHFFFAOYSA-N -1 1 406.507 4.389 20 0 HIADMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000097548763 852627437 /nfs/dbraw/zinc/62/74/37/852627437.db2.gz VNSVJFDKBJQQTR-UHFFFAOYSA-N -1 1 404.435 4.280 20 0 HIADMM Cn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000097569974 852631539 /nfs/dbraw/zinc/63/15/39/852631539.db2.gz IHAXGOICOGEBGU-JHJVBQTASA-N -1 1 411.358 4.294 20 0 HIADMM COc1ccc2cc(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)[nH]c2c1 ZINC000107619331 852782126 /nfs/dbraw/zinc/78/21/26/852782126.db2.gz HWTPWRQGHLUGCF-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM CCOC(=O)C1=C(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[N-]c2ccccc2N=C1C ZINC000107835379 852801929 /nfs/dbraw/zinc/80/19/29/852801929.db2.gz HPSXIMUTTSIAQF-KGLIPLIRSA-N -1 1 423.435 4.464 20 0 HIADMM O=C(NCCCOC1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110012207 853047115 /nfs/dbraw/zinc/04/71/15/853047115.db2.gz YUIZXIFKSWUTRB-QFIPXVFZSA-N -1 1 424.541 4.006 20 0 HIADMM COc1ccc([C@@H]2CCN(C(=O)CCn3c(=S)[n-]nc3-c3ccc(C)cc3)C2)cc1 ZINC000110072216 853056608 /nfs/dbraw/zinc/05/66/08/853056608.db2.gz YVVNARBGXYZXQV-LJQANCHMSA-N -1 1 422.554 4.331 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)[C@@H](C)Cc3cccc(F)c3)n2)n[n-]c1=S ZINC000115987713 853276925 /nfs/dbraw/zinc/27/69/25/853276925.db2.gz ASTYNXMLTIPPLZ-LBPRGKRZSA-N -1 1 417.535 4.130 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(-n2cccc2)ccc1F ZINC000116771660 853332578 /nfs/dbraw/zinc/33/25/78/853332578.db2.gz XPZVYPZRRLBXME-UHFFFAOYSA-N -1 1 401.463 4.020 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)COc2cccc(F)c2)c1 ZINC000117703174 853365888 /nfs/dbraw/zinc/36/58/88/853365888.db2.gz NBBKCVKIRPHFHW-OAHLLOKOSA-N -1 1 414.506 4.029 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000147547243 853589748 /nfs/dbraw/zinc/58/97/48/853589748.db2.gz AUTDAJHMZJJIFG-UHFFFAOYSA-N -1 1 401.513 4.214 20 0 HIADMM NC(=O)c1ccc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)(F)F)o1 ZINC000437258777 862487653 /nfs/dbraw/zinc/48/76/53/862487653.db2.gz WAGZBCHLYHQYLJ-UHFFFAOYSA-N -1 1 412.311 4.304 20 0 HIADMM Cc1nn(Cc2ccccc2)c2sc(C(=O)[N-]c3nnc(C(F)F)s3)cc12 ZINC000195655816 853740240 /nfs/dbraw/zinc/74/02/40/853740240.db2.gz NSAQDYCQYOZIIV-UHFFFAOYSA-N -1 1 405.455 4.496 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000195700212 853766546 /nfs/dbraw/zinc/76/65/46/853766546.db2.gz WRWBIOVKKYGPAJ-BETUJISGSA-N -1 1 415.342 4.408 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000195700262 853766656 /nfs/dbraw/zinc/76/66/56/853766656.db2.gz DXUNFFXPJSJBPO-BETUJISGSA-N -1 1 415.342 4.408 20 0 HIADMM Cc1ccc(NC(=O)c2csc(C3CC3)n2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000195749854 853792680 /nfs/dbraw/zinc/79/26/80/853792680.db2.gz GFVRBYWEISBENT-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM CSc1ccc(-c2csc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)n2)cc1 ZINC000219099941 853866695 /nfs/dbraw/zinc/86/66/95/853866695.db2.gz XYQCFWHJDHMGKT-UHFFFAOYSA-N -1 1 414.556 4.474 20 0 HIADMM CN(Cc1cc(Br)cs1)C(=O)c1ccc(Br)c([O-])c1 ZINC000231326938 853896028 /nfs/dbraw/zinc/89/60/28/853896028.db2.gz FRRMQBNYLSRJMZ-UHFFFAOYSA-N -1 1 405.111 4.251 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000437284733 862538326 /nfs/dbraw/zinc/53/83/26/862538326.db2.gz CFRHOHHAENWXLA-DZGCQCFKSA-N -1 1 412.342 4.124 20 0 HIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)Nc1cccc(Br)c1 ZINC000261385829 854242836 /nfs/dbraw/zinc/24/28/36/854242836.db2.gz BPMAZXAVKHNLIF-SSDOTTSWSA-N -1 1 422.226 4.083 20 0 HIADMM C[C@@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1cccc2ccccc21 ZINC000261404145 854250066 /nfs/dbraw/zinc/25/00/66/854250066.db2.gz NXZVBPTUGDHIPN-LLVKDONJSA-N -1 1 407.417 4.324 20 0 HIADMM O=C(NCc1csc(-c2ccccc2)n1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261416200 854254380 /nfs/dbraw/zinc/25/43/80/854254380.db2.gz FRSNUWOEKNMHTF-UHFFFAOYSA-N -1 1 421.522 4.320 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC[C@@H]3CC)c2)cc1 ZINC000301314373 854356394 /nfs/dbraw/zinc/35/63/94/854356394.db2.gz JGSCCWIXJQOFJK-IBGZPJMESA-N -1 1 416.543 4.291 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000301317001 854357383 /nfs/dbraw/zinc/35/73/83/854357383.db2.gz XHPFLSDASKXIMP-UHFFFAOYSA-N -1 1 422.506 4.089 20 0 HIADMM O=C(Nc1ccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1)c1ccco1 ZINC000301327199 854359882 /nfs/dbraw/zinc/35/98/82/854359882.db2.gz BMVGUAHCDHOOMM-UHFFFAOYSA-N -1 1 413.393 4.159 20 0 HIADMM CC[C@H](C)NC(=O)c1cccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000301354340 854369404 /nfs/dbraw/zinc/36/94/04/854369404.db2.gz JZDLGTWUXLPSPP-AWEZNQCLSA-N -1 1 405.502 4.001 20 0 HIADMM CC[C@@H](C)C(=O)Nc1cccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000301372369 854374668 /nfs/dbraw/zinc/37/46/68/854374668.db2.gz QCHCTXSJYDMTMA-CQSZACIVSA-N -1 1 405.502 4.458 20 0 HIADMM Cc1nc(-c2ccc(N(C)Cc3csc(Br)c3)nc2)[n-]c(=O)c1C ZINC000301383705 854377797 /nfs/dbraw/zinc/37/77/97/854377797.db2.gz VVJCXUXHLPBKII-UHFFFAOYSA-N -1 1 405.321 4.321 20 0 HIADMM Cc1nc(-c2ccc(NCc3cccc(COC4CCOCC4)c3)nc2)[n-]c(=O)c1C ZINC000301401997 854383171 /nfs/dbraw/zinc/38/31/71/854383171.db2.gz QWEJYKFJRWXAQP-UHFFFAOYSA-N -1 1 420.513 4.169 20 0 HIADMM Cc1nc(-c2ccc(NCC(C)(C)c3ccc4c(c3)OCCO4)nc2)[n-]c(=O)c1C ZINC000301440290 854395134 /nfs/dbraw/zinc/39/51/34/854395134.db2.gz XUWBEFNZSYUHCO-UHFFFAOYSA-N -1 1 406.486 4.022 20 0 HIADMM Cc1cnc([C@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)s1 ZINC000301600558 854427335 /nfs/dbraw/zinc/42/73/35/854427335.db2.gz YZTCTXPSUCYAGF-NSHDSACASA-N -1 1 410.471 4.099 20 0 HIADMM COc1ccccc1[C@@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)c1ccccn1 ZINC000301876882 854482299 /nfs/dbraw/zinc/48/22/99/854482299.db2.gz NLPSEYMYRAYABM-JOCHJYFZSA-N -1 1 413.481 4.466 20 0 HIADMM CC[C@@H](C)[C@H](C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-])c1ccccc1 ZINC000301997398 854513073 /nfs/dbraw/zinc/51/30/73/854513073.db2.gz NWFKTIZMPMMKPU-IERDGZPVSA-N -1 1 418.559 4.191 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3cccn3C)cc2)cc1 ZINC000302810109 854643054 /nfs/dbraw/zinc/64/30/54/854643054.db2.gz KWIANGXSUDZUQX-QFIPXVFZSA-N -1 1 423.538 4.112 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)c3cccnc3)c2)c1 ZINC000302959637 854696359 /nfs/dbraw/zinc/69/63/59/854696359.db2.gz FUEPKENLGUKESC-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)ccn3)c2)c1 ZINC000303502427 854990934 /nfs/dbraw/zinc/99/09/34/854990934.db2.gz ATPOVJAUIUMBFZ-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1ccc(NC(=O)C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000303527945 855014511 /nfs/dbraw/zinc/01/45/11/855014511.db2.gz DMTGAFMHSHQXOD-UHFFFAOYSA-N -1 1 421.733 4.013 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(Br)ccc2F)c1 ZINC000303535337 855021955 /nfs/dbraw/zinc/02/19/55/855021955.db2.gz SNGHQPZJDONMLS-UHFFFAOYSA-N -1 1 421.295 4.456 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)c(OC(F)F)c2)c1 ZINC000303617358 855080518 /nfs/dbraw/zinc/08/05/18/855080518.db2.gz WJQWBHOUEVMBDL-UHFFFAOYSA-N -1 1 404.442 4.465 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000303634886 855091534 /nfs/dbraw/zinc/09/15/34/855091534.db2.gz PLMIMVXGASKWEK-AREMUKBSSA-N -1 1 403.500 4.243 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2oc3ccccc3c2C)cc1 ZINC000303689708 855135040 /nfs/dbraw/zinc/13/50/40/855135040.db2.gz MHMQFEPSXIVYRF-UHFFFAOYSA-N -1 1 422.510 4.377 20 0 HIADMM CCCN(C(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000303928936 855298291 /nfs/dbraw/zinc/29/82/91/855298291.db2.gz WVBMJXLMPLLQOX-ROUUACIJSA-N -1 1 416.591 4.358 20 0 HIADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000318132527 855382410 /nfs/dbraw/zinc/38/24/10/855382410.db2.gz SGQSCPKGIUDIOK-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM O=S(=O)([N-]c1c2nsnc2ccc1Cl)c1ccc(Br)c(F)c1 ZINC000319008331 855385512 /nfs/dbraw/zinc/38/55/12/855385512.db2.gz YRNFSEUBTHSSFL-UHFFFAOYSA-N -1 1 422.688 4.047 20 0 HIADMM O=S(=O)([N-]c1cccnc1Br)c1ccc(Cl)cc1C(F)(F)F ZINC000319514930 855386089 /nfs/dbraw/zinc/38/60/89/855386089.db2.gz NSNWAKAXSQFCQF-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM Cc1cc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(C)s1 ZINC000321983984 855391494 /nfs/dbraw/zinc/39/14/94/855391494.db2.gz NBHGZKXROFJHFQ-VIFPVBQESA-N -1 1 419.322 4.075 20 0 HIADMM Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000322778423 855393150 /nfs/dbraw/zinc/39/31/50/855393150.db2.gz LXJLFAXRZMYMPS-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000323820388 855396664 /nfs/dbraw/zinc/39/66/64/855396664.db2.gz JXHSKPTWDCPZFA-UHFFFAOYSA-N -1 1 419.684 4.082 20 0 HIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(Br)c3)ccc2o1 ZINC000389512646 855450610 /nfs/dbraw/zinc/45/06/10/855450610.db2.gz FGNUWTWXCHIHDE-UHFFFAOYSA-N -1 1 401.669 4.353 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000390722704 855456290 /nfs/dbraw/zinc/45/62/90/855456290.db2.gz MAJCFPGFROOVQE-UHFFFAOYSA-N -1 1 410.211 4.299 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccccc1 ZINC000391600417 855459717 /nfs/dbraw/zinc/45/97/17/855459717.db2.gz GBGWTZXPPQEKFM-MRXNPFEDSA-N -1 1 413.293 4.033 20 0 HIADMM O=S(=O)([N-]c1cccnc1F)c1c(Cl)cc(Br)cc1Cl ZINC000401402352 855479798 /nfs/dbraw/zinc/47/97/98/855479798.db2.gz GITWZRLXOJKSIS-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM COc1ccc2c(c1)CCC[C@]2(NCc1cc(Br)ccc1F)C(=O)[O-] ZINC000409449395 855484253 /nfs/dbraw/zinc/48/42/53/855484253.db2.gz SBARUXNGPOYJEI-LJQANCHMSA-N -1 1 408.267 4.003 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccoc1C1CC1 ZINC000409835476 855679491 /nfs/dbraw/zinc/67/94/91/855679491.db2.gz WVQWWZPLNBMARX-UHFFFAOYSA-N -1 1 414.458 4.027 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3cccc(-c4nc(C)cs4)c3)ccc2o1 ZINC000410327653 855930033 /nfs/dbraw/zinc/93/00/33/855930033.db2.gz LBYYUVYQYFWCSU-UHFFFAOYSA-N -1 1 415.496 4.207 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2N(C)C2CCCC2)ccc1C ZINC000410330220 855932190 /nfs/dbraw/zinc/93/21/90/855932190.db2.gz MNJFEMFFQVQHLF-UHFFFAOYSA-N -1 1 401.532 4.133 20 0 HIADMM CN(c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C1CCCC1 ZINC000410334319 855934293 /nfs/dbraw/zinc/93/42/93/855934293.db2.gz XOMWYAWXIGANIQ-UHFFFAOYSA-N -1 1 413.543 4.141 20 0 HIADMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(C(N)=O)c3)cc2s1 ZINC000410381392 855963073 /nfs/dbraw/zinc/96/30/73/855963073.db2.gz KPZYOTTUWHGGHM-UHFFFAOYSA-N -1 1 423.947 4.147 20 0 HIADMM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)c1 ZINC000410400526 855975861 /nfs/dbraw/zinc/97/58/61/855975861.db2.gz IWHQOVFOGDGIDS-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000410401613 855976101 /nfs/dbraw/zinc/97/61/01/855976101.db2.gz NHHCLIQBVVHDPU-UHFFFAOYSA-N -1 1 424.526 4.345 20 0 HIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000410420691 855988914 /nfs/dbraw/zinc/98/89/14/855988914.db2.gz STZKYGYKKSSORY-UHFFFAOYSA-N -1 1 424.295 4.098 20 0 HIADMM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000410424622 855992625 /nfs/dbraw/zinc/99/26/25/855992625.db2.gz XCEBUYWIYZMYRF-UHFFFAOYSA-N -1 1 412.851 4.102 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2cc(Br)cc(OC(C)C)c2)c1 ZINC000426003998 856041347 /nfs/dbraw/zinc/04/13/47/856041347.db2.gz NBQPLOQRJLEQPI-UHFFFAOYSA-N -1 1 414.321 4.184 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)cc1 ZINC000437403691 862755603 /nfs/dbraw/zinc/75/56/03/862755603.db2.gz HTLUPTLDIMISFU-UHFFFAOYSA-N -1 1 420.494 4.036 20 0 HIADMM COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(F)c([O-])c(F)c2)c(OC)c1 ZINC000426086623 856098480 /nfs/dbraw/zinc/09/84/80/856098480.db2.gz UUNOCKLTIDQKMH-NRFANRHFSA-N -1 1 412.392 4.459 20 0 HIADMM Cc1cc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)ncc1Br ZINC000426186810 856163501 /nfs/dbraw/zinc/16/35/01/856163501.db2.gz MGGQJLGPJDBZMJ-UHFFFAOYSA-N -1 1 409.227 4.113 20 0 HIADMM CCc1nc(CNCc2cc(OC)c(OC)cc2-c2ccccc2)ccc1C(=O)[O-] ZINC000426647774 856392709 /nfs/dbraw/zinc/39/27/09/856392709.db2.gz OYOHRNZKGCJFET-UHFFFAOYSA-N -1 1 406.482 4.316 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000437420882 862792368 /nfs/dbraw/zinc/79/23/68/862792368.db2.gz SZJRXBXGHOLHKO-XUTJKUGGSA-N -1 1 406.507 4.163 20 0 HIADMM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc(-c2cccc(Br)c2)o1 ZINC000426696504 856417581 /nfs/dbraw/zinc/41/75/81/856417581.db2.gz RXDCMPWUXHMWQD-SFHVURJKSA-N -1 1 400.272 4.495 20 0 HIADMM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc(Cl)c1OC ZINC000426719033 856431965 /nfs/dbraw/zinc/43/19/65/856431965.db2.gz DAQQSQVKKDGFJU-INIZCTEOSA-N -1 1 402.249 4.455 20 0 HIADMM O=C([O-])C[C@@H](NCc1ccc(OC(F)F)c(Cl)c1)c1cnn(-c2ccccc2)c1 ZINC000426720599 856433182 /nfs/dbraw/zinc/43/31/82/856433182.db2.gz NVZJPMASZHPKMX-QGZVFWFLSA-N -1 1 421.831 4.433 20 0 HIADMM O=C([O-])C[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1cnn(-c2ccccc2)c1 ZINC000426726587 856436583 /nfs/dbraw/zinc/43/65/83/856436583.db2.gz KQWCMAUDRHOTKC-OAQYLSRUSA-N -1 1 421.888 4.017 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000426741694 856447223 /nfs/dbraw/zinc/44/72/23/856447223.db2.gz MEUMPPNCMJPXEB-OAHLLOKOSA-N -1 1 402.647 4.166 20 0 HIADMM COc1c(Br)cccc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426753225 856455921 /nfs/dbraw/zinc/45/59/21/856455921.db2.gz CPUYIXFFWQNJII-AWEZNQCLSA-N -1 1 402.647 4.166 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000437423576 862799881 /nfs/dbraw/zinc/79/98/81/862799881.db2.gz BMYOJEXNYLTCDN-XGAFWQRZSA-N -1 1 424.497 4.303 20 0 HIADMM CCOc1c(Br)cc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)cc1OC ZINC000426790714 856480151 /nfs/dbraw/zinc/48/01/51/856480151.db2.gz BGXKXQVWKHWCRJ-AWEZNQCLSA-N -1 1 412.280 4.063 20 0 HIADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(Br)c(Br)c2)o1 ZINC000426790767 856480235 /nfs/dbraw/zinc/48/02/35/856480235.db2.gz BOCSLPBVUXMHFW-ZDUSSCGKSA-N -1 1 417.097 4.419 20 0 HIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cnc(-c3cccs3)s2)cc1OC ZINC000426800797 856486663 /nfs/dbraw/zinc/48/66/63/856486663.db2.gz OZGORMDYRNJZOX-CQSZACIVSA-N -1 1 404.513 4.194 20 0 HIADMM COc1cc2c(c(CN[C@H](CC(=O)[O-])c3cccc(Br)c3)c1)O[C@@H](C)C2 ZINC000426835648 856505837 /nfs/dbraw/zinc/50/58/37/856505837.db2.gz RLYFLZLBUAAXCN-KPZWWZAWSA-N -1 1 420.303 4.087 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000426972289 856572295 /nfs/dbraw/zinc/57/22/95/856572295.db2.gz NRWAETIWZWILOF-NRJQMVOHSA-N -1 1 416.525 4.278 20 0 HIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3F)c2C)o1 ZINC000427283159 856750139 /nfs/dbraw/zinc/75/01/39/856750139.db2.gz WQWZVGAYZFXQJT-UHFFFAOYSA-N -1 1 419.356 4.125 20 0 HIADMM Cc1ccc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000427471696 856834997 /nfs/dbraw/zinc/83/49/97/856834997.db2.gz MVUCVLNDXTUYBV-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)[nH]c2c1 ZINC000427643613 856894860 /nfs/dbraw/zinc/89/48/60/856894860.db2.gz AZGHTCRFFNKDCA-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc2cccnc21 ZINC000427656787 856898537 /nfs/dbraw/zinc/89/85/37/856898537.db2.gz MDXWZNZWNJTNJF-UHFFFAOYSA-N -1 1 421.478 4.156 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCS[C@H](C)CC3)cc2)c1 ZINC000427921553 857009128 /nfs/dbraw/zinc/00/91/28/857009128.db2.gz IEYOVTZIFPVWQU-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCS1 ZINC000427955898 857022900 /nfs/dbraw/zinc/02/29/00/857022900.db2.gz FWIRJJJJNCYWLG-CQSZACIVSA-N -1 1 424.975 4.108 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000428025563 857046988 /nfs/dbraw/zinc/04/69/88/857046988.db2.gz SZZRVDNILQPCET-UHFFFAOYSA-N -1 1 410.776 4.122 20 0 HIADMM Cc1ccc(NC(=O)c2ncccc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000428166233 857094320 /nfs/dbraw/zinc/09/43/20/857094320.db2.gz RAIWTGFSEQYBAQ-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CC[C@@H](c1nnc([N-]C(=O)c2nc(-c3cnn(C)c3)oc2C)s1)c1ccccc1 ZINC000437547158 862879438 /nfs/dbraw/zinc/87/94/38/862879438.db2.gz LYZUQJSNYYBILM-OAHLLOKOSA-N -1 1 408.487 4.029 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000428700944 857301333 /nfs/dbraw/zinc/30/13/33/857301333.db2.gz NVTUGPHCJCWIRA-HNNXBMFYSA-N -1 1 409.511 4.443 20 0 HIADMM CCC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000428833010 857364956 /nfs/dbraw/zinc/36/49/56/857364956.db2.gz XNBKNWZUOPKNGE-UHFFFAOYSA-N -1 1 410.898 4.152 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1 ZINC000430451724 858171804 /nfs/dbraw/zinc/17/18/04/858171804.db2.gz FHWCJZVTULTAIY-CRAIPNDOSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@@H]1CC[C@H](C)C1 ZINC000430457967 858175718 /nfs/dbraw/zinc/17/57/18/858175718.db2.gz MFDMCYDMGNOACH-KBXCAEBGSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H]3CC[C@H](C)C3)cc2)cc1C ZINC000430459109 858176702 /nfs/dbraw/zinc/17/67/02/858176702.db2.gz PEVHSMLMIIVGMB-YWZLYKJASA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@H]2CC[C@H](C)C2)cc1 ZINC000430477175 858187282 /nfs/dbraw/zinc/18/72/82/858187282.db2.gz KPBFJYKHXNBUCH-LIRRHRJNSA-N -1 1 404.507 4.196 20 0 HIADMM C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000430480723 858189079 /nfs/dbraw/zinc/18/90/79/858189079.db2.gz ZGUASCLWWMJLKU-KBXCAEBGSA-N -1 1 406.935 4.401 20 0 HIADMM C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000430480725 858189329 /nfs/dbraw/zinc/18/93/29/858189329.db2.gz ZGUASCLWWMJLKU-KDOFPFPSSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2F)s1 ZINC000431149685 858472332 /nfs/dbraw/zinc/47/23/32/858472332.db2.gz CRCUPGRDHQRHDX-UHFFFAOYSA-N -1 1 420.535 4.290 20 0 HIADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1Cl ZINC000431171284 858485457 /nfs/dbraw/zinc/48/54/57/858485457.db2.gz FHKVRUFYHKGUPV-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(Oc3ncc(Br)cn3)c2)c1 ZINC000431178875 858489648 /nfs/dbraw/zinc/48/96/48/858489648.db2.gz BDULZTMBJZMCBI-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)c(=O)[n-]1 ZINC000431233438 858521153 /nfs/dbraw/zinc/52/11/53/858521153.db2.gz BFJFEMQXTNFECQ-UHFFFAOYSA-N -1 1 407.923 4.151 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)cc1 ZINC000431317924 858562086 /nfs/dbraw/zinc/56/20/86/858562086.db2.gz HXSITKKUFVVDNS-UHFFFAOYSA-N -1 1 407.495 4.015 20 0 HIADMM Cc1ccc(SC2(C(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)CCCC2)cc1 ZINC000431338544 858572019 /nfs/dbraw/zinc/57/20/19/858572019.db2.gz UHQPLHBATGTLMN-UHFFFAOYSA-N -1 1 410.543 4.081 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)[C@H]1C[C@@H]1C1CC1 ZINC000431359419 858578293 /nfs/dbraw/zinc/57/82/93/858578293.db2.gz RFNZYKALZGUQLO-CVEARBPZSA-N -1 1 408.882 4.265 20 0 HIADMM CCOCCC1(C(=O)Nc2cc([O-])c(Br)cc2Br)CCC1 ZINC000431447664 858620620 /nfs/dbraw/zinc/62/06/20/858620620.db2.gz VQARNMNDXIZDIY-UHFFFAOYSA-N -1 1 421.129 4.453 20 0 HIADMM O=C(CC[C@H]1CCCCO1)Nc1cc([O-])c(Br)cc1Br ZINC000431459340 858626546 /nfs/dbraw/zinc/62/65/46/858626546.db2.gz NTPMBKHKVWPUJR-SECBINFHSA-N -1 1 407.102 4.205 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC3CCC3)C(C)C)cc2)cc1 ZINC000431529945 858657678 /nfs/dbraw/zinc/65/76/78/858657678.db2.gz FXOYXPCMGHDLAQ-UHFFFAOYSA-N -1 1 416.543 4.147 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1noc(Cc2ccccc2)n1 ZINC000431889655 858857854 /nfs/dbraw/zinc/85/78/54/858857854.db2.gz MHUZLFIYDWWHKU-LLVKDONJSA-N -1 1 412.298 4.007 20 0 HIADMM CO[C@H]1CCC[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000432055176 858954521 /nfs/dbraw/zinc/95/45/21/858954521.db2.gz YMESTONGLKUBOB-PXNSSMCTSA-N -1 1 416.543 4.248 20 0 HIADMM CO[C@H]1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000432059363 858956891 /nfs/dbraw/zinc/95/68/91/858956891.db2.gz BFMSORUOSJRZSV-KSSFIOAISA-N -1 1 422.934 4.285 20 0 HIADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432080925 858974968 /nfs/dbraw/zinc/97/49/68/858974968.db2.gz WJJQWYYFIDBFFF-UHFFFAOYSA-N -1 1 417.405 4.034 20 0 HIADMM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)ccc2C)c1 ZINC000432183054 859034989 /nfs/dbraw/zinc/03/49/89/859034989.db2.gz UPNHSLIHGIPLPG-UHFFFAOYSA-N -1 1 421.478 4.133 20 0 HIADMM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1Cl ZINC000432182178 859035010 /nfs/dbraw/zinc/03/50/10/859035010.db2.gz KWPXJEIBAPWOMM-UHFFFAOYSA-N -1 1 406.891 4.017 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(F)c4ncccc34)c2)n1 ZINC000432199271 859043383 /nfs/dbraw/zinc/04/33/83/859043383.db2.gz WIIVTLYVHBVIPD-UHFFFAOYSA-N -1 1 412.446 4.096 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(F)cc3-c3ccc(F)cc3)ccc2[nH]1 ZINC000432201086 859043854 /nfs/dbraw/zinc/04/38/54/859043854.db2.gz CJCGDDPZQPJDHH-UHFFFAOYSA-N -1 1 412.417 4.274 20 0 HIADMM O=S(=O)([N-]CC[C@@H](c1ccccc1)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000432260875 859073515 /nfs/dbraw/zinc/07/35/15/859073515.db2.gz WSEPVTTUIRMVFS-LBPRGKRZSA-N -1 1 412.355 4.115 20 0 HIADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000432453138 859171019 /nfs/dbraw/zinc/17/10/19/859171019.db2.gz HKDCOGUYRUKGNC-QGZVFWFLSA-N -1 1 404.463 4.066 20 0 HIADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)n1 ZINC000432588834 859242456 /nfs/dbraw/zinc/24/24/56/859242456.db2.gz QRXXYRZCVCQXMB-AWEZNQCLSA-N -1 1 413.934 4.825 20 0 HIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1ncoc1-c1ccc(F)cc1 ZINC000432601519 859250013 /nfs/dbraw/zinc/25/00/13/859250013.db2.gz NIBYJCRJVMBPLZ-QGZVFWFLSA-N -1 1 420.469 5.053 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC2(CCC2)C[C@H]1C ZINC000432618405 859258292 /nfs/dbraw/zinc/25/82/92/859258292.db2.gz PKGWEOHSTLOMIM-MRXNPFEDSA-N -1 1 416.518 4.340 20 0 HIADMM CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ncc(C(=O)OC)[n-]3)ccc21 ZINC000432654649 859276051 /nfs/dbraw/zinc/27/60/51/859276051.db2.gz HLAMLIFOSYHHSA-ZDUSSCGKSA-N -1 1 422.510 4.443 20 0 HIADMM CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3nc(C(=O)OC)c[n-]3)ccc21 ZINC000432654649 859276062 /nfs/dbraw/zinc/27/60/62/859276062.db2.gz HLAMLIFOSYHHSA-ZDUSSCGKSA-N -1 1 422.510 4.443 20 0 HIADMM Cc1cc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)c3)n2)ccn1 ZINC000432679039 859288617 /nfs/dbraw/zinc/28/86/17/859288617.db2.gz GHMYKGGYMOQSDC-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM Cc1cc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4C)cc3)n2)ccn1 ZINC000432687271 859294397 /nfs/dbraw/zinc/29/43/97/859294397.db2.gz ZKHJQSDTKCPXHK-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1Cl ZINC000432768477 859349135 /nfs/dbraw/zinc/34/91/35/859349135.db2.gz LIYCTHWWBYJLJJ-UHFFFAOYSA-N -1 1 405.863 4.040 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1C(C)C ZINC000432769394 859349533 /nfs/dbraw/zinc/34/95/33/859349533.db2.gz RTPUFDIEOPFWIZ-UHFFFAOYSA-N -1 1 420.922 4.162 20 0 HIADMM O=C(Nc1cncc(F)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000467647063 881443795 /nfs/dbraw/zinc/44/37/95/881443795.db2.gz OIRUHWGRQDKJCZ-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)c2ccccc12 ZINC000433522184 859754185 /nfs/dbraw/zinc/75/41/85/859754185.db2.gz QOPSSGLNTUFYDF-UHFFFAOYSA-N -1 1 412.511 4.050 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2O)ccc1OCCCC(=O)[O-] ZINC000433807284 859902870 /nfs/dbraw/zinc/90/28/70/859902870.db2.gz FKGLKFVMWPSQBR-UHFFFAOYSA-N -1 1 421.515 4.043 20 0 HIADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000434278238 860247820 /nfs/dbraw/zinc/24/78/20/860247820.db2.gz DBOCOJSDFKLYKC-MRXNPFEDSA-N -1 1 406.573 4.091 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NC1CCC2(CC2)CC1 ZINC000434292646 860257779 /nfs/dbraw/zinc/25/77/79/860257779.db2.gz BKXTXPOTLWNIAB-UHFFFAOYSA-N -1 1 416.518 4.008 20 0 HIADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000434344461 860301926 /nfs/dbraw/zinc/30/19/26/860301926.db2.gz LQQHAVAAVMKUOG-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3C)cc21 ZINC000467746542 881549358 /nfs/dbraw/zinc/54/93/58/881549358.db2.gz JLXNSHINQFFUQW-UHFFFAOYSA-N -1 1 412.433 4.114 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)s1 ZINC000434961173 860575124 /nfs/dbraw/zinc/57/51/24/860575124.db2.gz COYBREAHPRVWJN-UHFFFAOYSA-N -1 1 412.334 4.318 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000434975341 860583007 /nfs/dbraw/zinc/58/30/07/860583007.db2.gz BEZOBAWHIIHEKT-NRFANRHFSA-N -1 1 424.570 4.056 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Sc3ccncc3)cc2)c(Cl)c1 ZINC000435146617 860665515 /nfs/dbraw/zinc/66/55/15/860665515.db2.gz NEYOYVVPXBHURG-UHFFFAOYSA-N -1 1 420.899 4.385 20 0 HIADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)sc1C ZINC000435209065 860695833 /nfs/dbraw/zinc/69/58/33/860695833.db2.gz AOUHSAXWSVTQRZ-AWEZNQCLSA-N -1 1 415.540 4.052 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)ccc1Br ZINC000435226614 860700008 /nfs/dbraw/zinc/70/00/08/860700008.db2.gz PKQRPDZCXBDNLD-MWLCHTKSSA-N -1 1 418.250 4.235 20 0 HIADMM Cc1csc(Sc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2)n1 ZINC000467760032 881576123 /nfs/dbraw/zinc/57/61/23/881576123.db2.gz QWUIGCVQYYKWSE-UHFFFAOYSA-N -1 1 410.498 4.003 20 0 HIADMM CS[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000435388919 860781577 /nfs/dbraw/zinc/78/15/77/860781577.db2.gz IBBVWNRPBQUADB-GOSISDBHSA-N -1 1 418.584 4.154 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435428883 860796605 /nfs/dbraw/zinc/79/66/05/860796605.db2.gz UWXQPBYZAJGSGE-CJNGLKHVSA-N -1 1 422.280 4.470 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1c(Cl)cc(F)cc1Cl ZINC000435430415 860797380 /nfs/dbraw/zinc/79/73/80/860797380.db2.gz BIBIWKGIVAPOFZ-CVEARBPZSA-N -1 1 404.290 4.331 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCOC1)c1c(Cl)cc(F)cc1Cl ZINC000435440252 860799546 /nfs/dbraw/zinc/79/95/46/860799546.db2.gz UYNOYSZIFKGBJX-LRDDRELGSA-N -1 1 404.290 4.189 20 0 HIADMM CO[C@H](C)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438044009 863404561 /nfs/dbraw/zinc/40/45/61/863404561.db2.gz XKZSKMOHWBBHBR-GFCCVEGCSA-N -1 1 414.886 4.034 20 0 HIADMM COc1cc(NC(=O)N2CCCC[C@H]2c2ccc(C)cc2)ccc1[N-]S(C)(=O)=O ZINC000438066522 863443289 /nfs/dbraw/zinc/44/32/89/863443289.db2.gz LEJWQPQIBYNHSU-IBGZPJMESA-N -1 1 417.531 4.134 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000438235099 863679964 /nfs/dbraw/zinc/67/99/64/863679964.db2.gz MPJMSCLJQAHPEG-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000467861440 881712013 /nfs/dbraw/zinc/71/20/13/881712013.db2.gz CYEZEAKFGCFKSV-DZGCQCFKSA-N -1 1 421.278 4.405 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000467871296 881729247 /nfs/dbraw/zinc/72/92/47/881729247.db2.gz KZSPDINNSJRRPX-YLJYHZDGSA-N -1 1 416.525 4.280 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccc(-c4ncon4)cc3)cc2s1 ZINC000438751722 864242354 /nfs/dbraw/zinc/24/23/54/864242354.db2.gz JCQAMRVNEJUUDJ-UHFFFAOYSA-N -1 1 414.512 4.445 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000438757719 864251167 /nfs/dbraw/zinc/25/11/67/864251167.db2.gz STVXKFUXQKWAMO-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1Br ZINC000438764104 864259560 /nfs/dbraw/zinc/25/95/60/864259560.db2.gz NFOMZIQRCNNRQU-UHFFFAOYSA-N -1 1 408.321 4.489 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000438778808 864272806 /nfs/dbraw/zinc/27/28/06/864272806.db2.gz XTAPPCAGQWFQPM-UHFFFAOYSA-N -1 1 420.556 4.420 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)c2ccccc2)c1 ZINC000438780653 864275076 /nfs/dbraw/zinc/27/50/76/864275076.db2.gz YPEPPNFPMFBEIB-SANMLTNESA-N -1 1 403.500 4.243 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1 ZINC000438790276 864283640 /nfs/dbraw/zinc/28/36/40/864283640.db2.gz DMSOFIDHAAKITK-UHFFFAOYSA-N -1 1 402.285 4.486 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1C ZINC000438796005 864288044 /nfs/dbraw/zinc/28/80/44/864288044.db2.gz WMDYAZGWCAAVJJ-UHFFFAOYSA-N -1 1 402.516 4.373 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(COC3CCCCC3)c2)c(F)c1 ZINC000438804836 864296025 /nfs/dbraw/zinc/29/60/25/864296025.db2.gz JGMKCKMVGIUISE-UHFFFAOYSA-N -1 1 407.463 4.174 20 0 HIADMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc23)no1 ZINC000438900198 864380485 /nfs/dbraw/zinc/38/04/85/864380485.db2.gz WDVDGTXXKBKHFI-UHFFFAOYSA-N -1 1 419.915 4.392 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000438996566 864453605 /nfs/dbraw/zinc/45/36/05/864453605.db2.gz HOMZBIPTPHPCRO-ISKFKSNPSA-N -1 1 418.518 4.330 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)C3(C)CC3)c2)cc1 ZINC000439024552 864479749 /nfs/dbraw/zinc/47/97/49/864479749.db2.gz UGJRBIZDTHSAGF-MRXNPFEDSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)C3(C)CC3)cc2)cc1C ZINC000439026985 864483410 /nfs/dbraw/zinc/48/34/10/864483410.db2.gz NDNMHYNJIDXBDV-QGZVFWFLSA-N -1 1 400.544 4.365 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)C3(C)CC3)cc2)cc1 ZINC000439029965 864485707 /nfs/dbraw/zinc/48/57/07/864485707.db2.gz YCTMEZOVNBFDBY-MRXNPFEDSA-N -1 1 416.543 4.147 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000439568302 864891066 /nfs/dbraw/zinc/89/10/66/864891066.db2.gz YCZBYFWQYVSRRT-UHFFFAOYSA-N -1 1 415.536 4.437 20 0 HIADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000440012396 865310111 /nfs/dbraw/zinc/31/01/11/865310111.db2.gz PYDKRBKDOBZBEV-BHDDXSALSA-N -1 1 406.526 4.235 20 0 HIADMM CSc1nsc([N-]C(=O)c2cc(Br)sc2Br)n1 ZINC000440069838 865336426 /nfs/dbraw/zinc/33/64/26/865336426.db2.gz LJXHEICNMIEBRF-UHFFFAOYSA-N -1 1 415.157 4.099 20 0 HIADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)c4ccoc4)c3)ccc2O1 ZINC000440286972 865538716 /nfs/dbraw/zinc/53/87/16/865538716.db2.gz YEKBXIZTTXKUIA-UHFFFAOYSA-N -1 1 412.467 4.046 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCCS2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000440364897 865646813 /nfs/dbraw/zinc/64/68/13/865646813.db2.gz GLHDVVQIOJTLOM-INIZCTEOSA-N -1 1 410.948 4.283 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC[C@H]3CC[C@H](C)O3)ccc2C)c1 ZINC000440383968 865675792 /nfs/dbraw/zinc/67/57/92/865675792.db2.gz ICOQMMNRDPZVHS-FXAWDEMLSA-N -1 1 416.543 4.390 20 0 HIADMM CSc1ccc(-c2nsc([N-]C(=O)c3cn(-c4ccc(C)cc4)nn3)n2)cc1 ZINC000440473389 865779048 /nfs/dbraw/zinc/77/90/48/865779048.db2.gz YYQUTEXAOUSLLU-UHFFFAOYSA-N -1 1 408.512 4.068 20 0 HIADMM COc1ccccc1[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1Cl ZINC000440589612 865827513 /nfs/dbraw/zinc/82/75/13/865827513.db2.gz UKRKZFRVEBYFMJ-FQEVSTJZSA-N -1 1 419.868 4.105 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000440629780 865847563 /nfs/dbraw/zinc/84/75/63/865847563.db2.gz OEYJMUQPNHRGRX-DNVCBOLYSA-N -1 1 406.486 4.078 20 0 HIADMM CC(C)(C)Oc1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c(C(F)(F)F)c1 ZINC000440741263 865884248 /nfs/dbraw/zinc/88/42/48/865884248.db2.gz NWNZDDCLVMFPCX-UHFFFAOYSA-N -1 1 419.403 4.049 20 0 HIADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2c(C)onc2-c2c(F)cccc2Cl)s1 ZINC000441561842 866637760 /nfs/dbraw/zinc/63/77/60/866637760.db2.gz AFTBBCAUPGUJIG-UHFFFAOYSA-N -1 1 418.841 4.245 20 0 HIADMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cccc(Br)c3)cc2)n1 ZINC000441726066 866822596 /nfs/dbraw/zinc/82/25/96/866822596.db2.gz GCEVRXYTXIMFIJ-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000442965344 867766995 /nfs/dbraw/zinc/76/69/95/867766995.db2.gz MBDBFAASZCZKCE-OAQYLSRUSA-N -1 1 416.525 4.315 20 0 HIADMM COc1cc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc(Cl)c1[O-] ZINC000442965527 867767667 /nfs/dbraw/zinc/76/76/67/867767667.db2.gz QDVMEEUTMYOBMV-UHFFFAOYSA-N -1 1 413.739 4.375 20 0 HIADMM Cc1ccc(CN(Cc2ccco2)C(=O)c2ncccc2[O-])c(Br)c1 ZINC000443044191 867800920 /nfs/dbraw/zinc/80/09/20/867800920.db2.gz GIQDJMIAQJXBHW-UHFFFAOYSA-N -1 1 401.260 4.294 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc(Cl)c1[O-] ZINC000443056724 867803873 /nfs/dbraw/zinc/80/38/73/867803873.db2.gz ZMPRXOWJCMSISV-QKKBWIMNSA-N -1 1 419.905 4.109 20 0 HIADMM COc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc(Cl)c1[O-] ZINC000443058425 867805043 /nfs/dbraw/zinc/80/50/43/867805043.db2.gz ABCUTPSVQUJHBR-UHFFFAOYSA-N -1 1 414.811 4.035 20 0 HIADMM COc1cc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000443220172 867880476 /nfs/dbraw/zinc/88/04/76/867880476.db2.gz ICOOCTHSUNAAIX-KCXAZCMYSA-N -1 1 409.910 4.169 20 0 HIADMM COc1cc(C(=O)NCc2ccc(C)cc2OCC(F)(F)F)cc(Cl)c1[O-] ZINC000443293546 867893118 /nfs/dbraw/zinc/89/31/18/867893118.db2.gz XTIBUKAXMCYSLA-UHFFFAOYSA-N -1 1 403.784 4.234 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc(Cl)c1[O-] ZINC000443326862 867906200 /nfs/dbraw/zinc/90/62/00/867906200.db2.gz DDCPIMNSRMJERQ-UHFFFAOYSA-N -1 1 411.285 4.346 20 0 HIADMM COc1cc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc(Cl)c1[O-] ZINC000443334500 867910962 /nfs/dbraw/zinc/91/09/62/867910962.db2.gz QPDPGLGYWQZCJX-UHFFFAOYSA-N -1 1 417.868 4.288 20 0 HIADMM COc1cc(C(=O)Nc2cc(OC)c(OC)cc2Br)cc(Cl)c1[O-] ZINC000443343698 867916828 /nfs/dbraw/zinc/91/68/28/867916828.db2.gz HBUTUIUYMVWFHO-UHFFFAOYSA-N -1 1 416.655 4.086 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)c3ccoc3C)c2)c1 ZINC000443401573 867962953 /nfs/dbraw/zinc/96/29/53/867962953.db2.gz VBOJZOXWAFNFJY-UHFFFAOYSA-N -1 1 418.446 4.179 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(-c4n[nH]c(C)n4)c3)c2)n1 ZINC000443402692 867968682 /nfs/dbraw/zinc/96/86/82/867968682.db2.gz HYIVDSWCIRNIAM-UHFFFAOYSA-N -1 1 411.512 4.013 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(C(F)(F)F)cc1Cl ZINC000443412242 867995448 /nfs/dbraw/zinc/99/54/48/867995448.db2.gz ZOYGEMCBWIYHGF-UHFFFAOYSA-N -1 1 401.797 4.345 20 0 HIADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(Br)c(Cl)c3)cc21 ZINC000443453225 868041466 /nfs/dbraw/zinc/04/14/66/868041466.db2.gz HKDXQFCSHOEWQM-UHFFFAOYSA-N -1 1 414.712 4.273 20 0 HIADMM C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000443532626 868090828 /nfs/dbraw/zinc/09/08/28/868090828.db2.gz SSDIOMJIGLTGDJ-INIZCTEOSA-N -1 1 410.495 4.432 20 0 HIADMM C[C@@H](Nc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1)c1ccccc1 ZINC000443533842 868091850 /nfs/dbraw/zinc/09/18/50/868091850.db2.gz XHRSGPSXUDJTNB-CYBMUJFWSA-N -1 1 402.497 4.420 20 0 HIADMM Cc1sc(CC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)nc1-c1ccccc1 ZINC000443889262 868426316 /nfs/dbraw/zinc/42/63/16/868426316.db2.gz OWZBIANXTXYQNM-UHFFFAOYSA-N -1 1 412.458 4.057 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)ns1 ZINC000443930963 868468712 /nfs/dbraw/zinc/46/87/12/868468712.db2.gz WKEJZMDKRMLFSG-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM C[C@H](CN(C)C(=O)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)c1nn[n-]n1 ZINC000444298508 868728203 /nfs/dbraw/zinc/72/82/03/868728203.db2.gz XPEDORYFCXHMBN-SNVBAGLBSA-N -1 1 424.263 4.314 20 0 HIADMM COc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)ccc1F ZINC000444326171 868753922 /nfs/dbraw/zinc/75/39/22/868753922.db2.gz GWTKNIVLJXAWSN-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)C1(C)C ZINC000444339974 868767100 /nfs/dbraw/zinc/76/71/00/868767100.db2.gz HKDGYLRNVUHSGG-KSSFIOAISA-N -1 1 400.519 4.035 20 0 HIADMM Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444351796 868778939 /nfs/dbraw/zinc/77/89/39/868778939.db2.gz LJTAFAPSLPFULO-UHFFFAOYSA-N -1 1 418.497 4.201 20 0 HIADMM CCc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cnn1C(C)(C)C ZINC000444375389 868800479 /nfs/dbraw/zinc/80/04/79/868800479.db2.gz PIRRQBRZXOLEAK-UHFFFAOYSA-N -1 1 412.534 4.221 20 0 HIADMM CCc1nc(S(=O)(=O)Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)n[n-]1 ZINC000444453220 868833841 /nfs/dbraw/zinc/83/38/41/868833841.db2.gz DDGCTNJUUYGVLF-UHFFFAOYSA-N -1 1 412.298 4.440 20 0 HIADMM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1F ZINC000468347918 882285092 /nfs/dbraw/zinc/28/50/92/882285092.db2.gz JIDYYNUPPWCSNU-UHFFFAOYSA-N -1 1 413.854 4.157 20 0 HIADMM COc1cc(-c2noc(-c3ccc(C(C)=O)cc3F)n2)cc(Br)c1[O-] ZINC000445389618 869476007 /nfs/dbraw/zinc/47/60/07/869476007.db2.gz CSEXLJKIPXBCHD-UHFFFAOYSA-N -1 1 407.195 4.222 20 0 HIADMM CCc1ccc(OCc2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000445390775 869477345 /nfs/dbraw/zinc/47/73/45/869477345.db2.gz ITSOTLIOUGHLIX-UHFFFAOYSA-N -1 1 405.248 4.355 20 0 HIADMM COc1cc(-c2noc(CCC(=O)c3cccs3)n2)cc(Br)c1[O-] ZINC000445393074 869478458 /nfs/dbraw/zinc/47/84/58/869478458.db2.gz OFGZPOYFZDNIDT-UHFFFAOYSA-N -1 1 409.261 4.090 20 0 HIADMM COc1cc(-c2noc(-c3cccc(OC(C)C)n3)n2)cc(Br)c1[O-] ZINC000445393425 869478946 /nfs/dbraw/zinc/47/89/46/869478946.db2.gz ORBMQBXWPCOVFU-UHFFFAOYSA-N -1 1 406.236 4.063 20 0 HIADMM COc1cc(-c2noc(CSc3ccc(O)cc3)n2)cc(Br)c1[O-] ZINC000445397617 869482925 /nfs/dbraw/zinc/48/29/25/869482925.db2.gz KDOWROYDRUMFKC-UHFFFAOYSA-N -1 1 409.261 4.211 20 0 HIADMM COc1ccc(OCc2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1C ZINC000445398697 869484146 /nfs/dbraw/zinc/48/41/46/869484146.db2.gz XRRIOIYYIFFATA-UHFFFAOYSA-N -1 1 421.247 4.109 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(CN4CCCC4=O)cc3)n2)cc(Cl)c1[O-] ZINC000445402923 869486900 /nfs/dbraw/zinc/48/69/00/869486900.db2.gz PPRQJCQEANIXDV-UHFFFAOYSA-N -1 1 413.861 4.284 20 0 HIADMM CCOc1ccc(CCc2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000445402416 869486989 /nfs/dbraw/zinc/48/69/89/869486989.db2.gz KJGBNDVFADFUFC-UHFFFAOYSA-N -1 1 419.275 4.397 20 0 HIADMM CCC(CC)n1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)n1 ZINC000445403099 869488260 /nfs/dbraw/zinc/48/82/60/869488260.db2.gz MVHJGYMZOQHYNS-UHFFFAOYSA-N -1 1 407.268 4.438 20 0 HIADMM CCOc1cc(-c2noc(-c3ccnc(OCC(F)(F)F)c3)n2)cc(Cl)c1[O-] ZINC000445410187 869493104 /nfs/dbraw/zinc/49/31/04/869493104.db2.gz DTINDYIODFIIPV-UHFFFAOYSA-N -1 1 415.755 4.497 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc4c(c3)NC(=O)CS4)n2)cc(Cl)c1[O-] ZINC000445409442 869493218 /nfs/dbraw/zinc/49/32/18/869493218.db2.gz DPKJPQVGOWTEOS-UHFFFAOYSA-N -1 1 403.847 4.206 20 0 HIADMM CCOc1cc(-c2noc(-c3sc(-c4ncccn4)nc3C)n2)cc(Cl)c1[O-] ZINC000445411137 869494460 /nfs/dbraw/zinc/49/44/60/869494460.db2.gz IOLGUBGUJDBOEJ-UHFFFAOYSA-N -1 1 415.862 4.383 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CCN(c4ccc(F)cc4)C3=O)n2)cc(Cl)c1[O-] ZINC000445413716 869495594 /nfs/dbraw/zinc/49/55/94/869495594.db2.gz SKZHUEFIAJZART-AWEZNQCLSA-N -1 1 417.824 4.154 20 0 HIADMM CCOc1cc(-c2noc(C3CCN(C(=O)N(CC)CC)CC3)n2)cc(Cl)c1[O-] ZINC000445425703 869509468 /nfs/dbraw/zinc/50/94/68/869509468.db2.gz FTFVBVPZEWCRLF-UHFFFAOYSA-N -1 1 422.913 4.136 20 0 HIADMM CCOc1cc(-c2noc(C[C@@H]3Sc4ccccc4NC3=O)n2)cc(Cl)c1[O-] ZINC000445431838 869517092 /nfs/dbraw/zinc/51/70/92/869517092.db2.gz QPSFHNYOXFUEHB-HNNXBMFYSA-N -1 1 417.874 4.150 20 0 HIADMM CSc1cccc(N2C[C@@H](c3nc(-c4ccc([O-])cc4Cl)no3)CC2=O)c1 ZINC000445445224 869526449 /nfs/dbraw/zinc/52/64/49/869526449.db2.gz IMCCXZABENAKHZ-NSHDSACASA-N -1 1 401.875 4.338 20 0 HIADMM Cn1c(SCc2nc(-c3ccc([O-])cc3Cl)no2)nnc1-c1cccs1 ZINC000445447442 869528533 /nfs/dbraw/zinc/52/85/33/869528533.db2.gz HLMFBLGDAYRVTE-UHFFFAOYSA-N -1 1 405.892 4.245 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc(C)c(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445449907 869530065 /nfs/dbraw/zinc/53/00/65/869530065.db2.gz WNGPDFWFHZRYND-UHFFFAOYSA-N -1 1 421.906 4.102 20 0 HIADMM O=C1C[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CN1Cc1cccc(C(F)(F)F)c1 ZINC000445480039 869553294 /nfs/dbraw/zinc/55/32/94/869553294.db2.gz YAARZWOSIMXKHN-ZDUSSCGKSA-N -1 1 421.350 4.116 20 0 HIADMM O=C1[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCN1c1cc(Cl)ccc1Cl ZINC000445488499 869558489 /nfs/dbraw/zinc/55/84/89/869558489.db2.gz WKHSYKMJGHMCSD-NSHDSACASA-N -1 1 408.216 4.409 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc([C@@H]4CCCOC4)no3)c2)c1 ZINC000445525512 869584093 /nfs/dbraw/zinc/58/40/93/869584093.db2.gz OQDQAJMYRJUXOD-MRXNPFEDSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc([C@@H]4CCCOC4)no3)cc2)c1 ZINC000445533205 869589394 /nfs/dbraw/zinc/58/93/94/869589394.db2.gz RBKYAXMUGKHXQV-QGZVFWFLSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(-c4cncs4)no3)c2)c1 ZINC000445579631 869639408 /nfs/dbraw/zinc/63/94/08/869639408.db2.gz LTUATXOBOFOCQG-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM CCOc1cc(-c2nc(CC(=O)N[C@H](CC)c3ccccc3)no2)cc(Cl)c1[O-] ZINC000445707418 869771336 /nfs/dbraw/zinc/77/13/36/869771336.db2.gz OIZYPQFJKAOPFJ-MRXNPFEDSA-N -1 1 415.877 4.304 20 0 HIADMM COc1c(F)ccc(F)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000445829126 869849037 /nfs/dbraw/zinc/84/90/37/869849037.db2.gz FTOSTDGADUZJLT-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM COc1cccc(Cl)c1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468411196 882353724 /nfs/dbraw/zinc/35/37/24/882353724.db2.gz HNDOWFIAWKTZOC-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1c(F)cc(Br)cc1F ZINC000446312003 870235211 /nfs/dbraw/zinc/23/52/11/870235211.db2.gz SJEPHZGWRMEQSG-UHFFFAOYSA-N -1 1 413.609 4.418 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](C(C)C)C2)c1 ZINC000446524204 870440527 /nfs/dbraw/zinc/44/05/27/870440527.db2.gz TUGBWWZXCVOARV-GOSISDBHSA-N -1 1 400.544 4.222 20 0 HIADMM CC1(C)CCCCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000446538835 870452571 /nfs/dbraw/zinc/45/25/71/870452571.db2.gz IPAHMCFFTAQWIA-UHFFFAOYSA-N -1 1 415.559 4.209 20 0 HIADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000446690156 870607957 /nfs/dbraw/zinc/60/79/57/870607957.db2.gz ZLBOFOKNCAIVEK-UHFFFAOYSA-N -1 1 421.682 4.220 20 0 HIADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccccc2Br)c1-c1cccs1 ZINC000446960864 870863001 /nfs/dbraw/zinc/86/30/01/870863001.db2.gz RDNSYAXHECTFDT-UHFFFAOYSA-N -1 1 412.334 4.264 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)c(C)c1F ZINC000446964962 870866422 /nfs/dbraw/zinc/86/64/22/870866422.db2.gz KRWOXSOSHUJMSE-UHFFFAOYSA-N -1 1 415.490 4.143 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1Cl ZINC000447254543 871132806 /nfs/dbraw/zinc/13/28/06/871132806.db2.gz CARWMKCMGXSUDH-UHFFFAOYSA-N -1 1 422.934 4.084 20 0 HIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c1 ZINC000447265026 871147328 /nfs/dbraw/zinc/14/73/28/871147328.db2.gz PIQOEWDECCFKMB-UHFFFAOYSA-N -1 1 400.353 4.224 20 0 HIADMM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447272170 871158629 /nfs/dbraw/zinc/15/86/29/871158629.db2.gz QSEUBXAJKLQCEC-UHFFFAOYSA-N -1 1 409.822 4.327 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC000447319541 871210253 /nfs/dbraw/zinc/21/02/53/871210253.db2.gz YHQLGNADXAUXFA-FQEVSTJZSA-N -1 1 402.498 4.272 20 0 HIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3nn(-c4ccc(Cl)cc4)cc3[O-])[nH]c2c1 ZINC000447439686 871339075 /nfs/dbraw/zinc/33/90/75/871339075.db2.gz KVKSEWFGASBLAR-SFHVURJKSA-N -1 1 421.888 4.393 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](c3ccccc3)[C@@H](C)CC)c2)n1 ZINC000447667858 871597598 /nfs/dbraw/zinc/59/75/98/871597598.db2.gz AOBDUTFLCDCCAZ-OXJNMPFZSA-N -1 1 420.513 4.095 20 0 HIADMM CC(C)C(CNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C(C)C ZINC000447777429 871705618 /nfs/dbraw/zinc/70/56/18/871705618.db2.gz MELSMMHJVAOOSM-UHFFFAOYSA-N -1 1 417.575 4.215 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000448549933 872556642 /nfs/dbraw/zinc/55/66/42/872556642.db2.gz LLKVAJCIBVZGPX-UHFFFAOYSA-N -1 1 409.769 4.046 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cnn(C(C)C)c3)ccc2C)c1 ZINC000468569080 882629942 /nfs/dbraw/zinc/62/99/42/882629942.db2.gz ZJQWLMHCJAXLOS-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM COc1cc(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)cc(Cl)c1[O-] ZINC000460190362 872758514 /nfs/dbraw/zinc/75/85/14/872758514.db2.gz YPYDCGKNVGPWAL-SNVBAGLBSA-N -1 1 403.784 4.270 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc(Cl)c1[O-] ZINC000460207464 872789914 /nfs/dbraw/zinc/78/99/14/872789914.db2.gz UKBDCIFNOSQWNT-UHFFFAOYSA-N -1 1 402.878 4.323 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)cc1OC ZINC000460418000 873075038 /nfs/dbraw/zinc/07/50/38/873075038.db2.gz CZVVURUWAKUKSL-UHFFFAOYSA-N -1 1 423.437 4.302 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(OCC(F)F)c2ccccc21 ZINC000460434900 873100645 /nfs/dbraw/zinc/10/06/45/873100645.db2.gz DOBXIEDUZPINHW-UHFFFAOYSA-N -1 1 421.421 4.056 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)Nc2ccccc2OC(F)F)nc1-c1ccccc1 ZINC000460443265 873111698 /nfs/dbraw/zinc/11/16/98/873111698.db2.gz JUPPVDMRPZFNIA-UHFFFAOYSA-N -1 1 417.437 4.490 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@H](C)n3cccn3)c2)c1 ZINC000460444743 873113669 /nfs/dbraw/zinc/11/36/69/873113669.db2.gz CNXRYDMUFHBHDS-INIZCTEOSA-N -1 1 412.515 4.007 20 0 HIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc1-c1ccccc1 ZINC000460445572 873116205 /nfs/dbraw/zinc/11/62/05/873116205.db2.gz TUMTYIVXWSAYKE-AWEZNQCLSA-N -1 1 423.494 4.048 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2COCc2ccccc2)cc1 ZINC000460449110 873121206 /nfs/dbraw/zinc/12/12/06/873121206.db2.gz OPOGQJRNCDZBQD-UHFFFAOYSA-N -1 1 424.522 4.187 20 0 HIADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc2)n[nH]1 ZINC000468607559 882712448 /nfs/dbraw/zinc/71/24/48/882712448.db2.gz KMIANWAJOILAHF-UHFFFAOYSA-N -1 1 420.450 4.030 20 0 HIADMM COC1(c2noc(-c3cccc(S(=O)(=O)[N-]c4cccc(C)c4)c3)n2)CCCC1 ZINC000460803777 873677123 /nfs/dbraw/zinc/67/71/23/873677123.db2.gz GZKUXRZEBZGEDH-UHFFFAOYSA-N -1 1 413.499 4.262 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2sc(C)cc2Br)c(Cl)c1 ZINC000460823860 873709355 /nfs/dbraw/zinc/70/93/55/873709355.db2.gz NYQZFPAYINUNLE-UHFFFAOYSA-N -1 1 423.741 4.232 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c(Cl)c1Cl ZINC000460827130 873713047 /nfs/dbraw/zinc/71/30/47/873713047.db2.gz JVLVFLUQHNOFRP-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000460837582 873725572 /nfs/dbraw/zinc/72/55/72/873725572.db2.gz GTGPXAUUONHNSU-UHFFFAOYSA-N -1 1 407.557 4.407 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)c2)c1 ZINC000460977301 873870522 /nfs/dbraw/zinc/87/05/22/873870522.db2.gz FUFIKBCJZVOGTP-NRFANRHFSA-N -1 1 412.555 4.365 20 0 HIADMM Cc1ccc(C(=O)N[C@@H](C)CC(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000468640176 882774927 /nfs/dbraw/zinc/77/49/27/882774927.db2.gz VLEDHZWYGCKUCD-LBPRGKRZSA-N -1 1 418.412 4.006 20 0 HIADMM COCCCCc1cccnc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000461184332 874174028 /nfs/dbraw/zinc/17/40/28/874174028.db2.gz DUXMNKVQKMRQHM-UHFFFAOYSA-N -1 1 402.438 4.011 20 0 HIADMM CC(C)c1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000461269318 874278890 /nfs/dbraw/zinc/27/88/90/874278890.db2.gz YRXNQICAGNQLDY-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM Cc1ccc(C(C)(C)CN(C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000461281573 874289219 /nfs/dbraw/zinc/28/92/19/874289219.db2.gz JXDVFJYCOIOECX-UHFFFAOYSA-N -1 1 418.541 4.230 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000461300337 874306191 /nfs/dbraw/zinc/30/61/91/874306191.db2.gz JAHFSVKRWQJRQY-YCRPNKLZSA-N -1 1 420.488 4.234 20 0 HIADMM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000461384946 874391849 /nfs/dbraw/zinc/39/18/49/874391849.db2.gz IEHBJOOKZCEOOS-OAQYLSRUSA-N -1 1 418.541 4.273 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(C(C)C)CC3)cc2)cc1 ZINC000461426266 874458511 /nfs/dbraw/zinc/45/85/11/874458511.db2.gz VWQOMITUKODVJO-UHFFFAOYSA-N -1 1 400.544 4.304 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cncnc3)cc2)c(C)c1C ZINC000468733311 882833559 /nfs/dbraw/zinc/83/35/59/882833559.db2.gz KNXXOYCXWYUCDJ-UHFFFAOYSA-N -1 1 424.526 4.072 20 0 HIADMM O=C(NCCCCF)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000462356612 875470103 /nfs/dbraw/zinc/47/01/03/875470103.db2.gz FYIRQVPPRVCGLE-UHFFFAOYSA-N -1 1 419.305 4.274 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(Oc4ccccc4)c3)cc3c2N1CCC3 ZINC000462366989 875479158 /nfs/dbraw/zinc/47/91/58/875479158.db2.gz AUCDOEZFLJJCTM-UHFFFAOYSA-N -1 1 420.490 4.115 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000463218133 876275848 /nfs/dbraw/zinc/27/58/48/876275848.db2.gz IVDVSEDCNUQEJI-KRWDZBQOSA-N -1 1 408.546 4.304 20 0 HIADMM Cc1cncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000463242515 876298666 /nfs/dbraw/zinc/29/86/66/876298666.db2.gz MZUSJSPHDXOVCK-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1SCCc2ccccc21 ZINC000463361215 876416461 /nfs/dbraw/zinc/41/64/61/876416461.db2.gz LAEUAPGTCOJCBT-OAQYLSRUSA-N -1 1 424.547 4.457 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c[nH]nc1-c1ccccc1 ZINC000463362678 876418094 /nfs/dbraw/zinc/41/80/94/876418094.db2.gz SNDRTLVNRXMAFW-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1SCCc2ccccc21 ZINC000463376273 876431253 /nfs/dbraw/zinc/43/12/53/876431253.db2.gz PHFIDGUHLIMVBM-NRFANRHFSA-N -1 1 424.547 4.457 20 0 HIADMM CC[C@H](Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000463786271 876904526 /nfs/dbraw/zinc/90/45/26/876904526.db2.gz YLYPNDYXBGIDEH-CYBMUJFWSA-N -1 1 401.406 4.160 20 0 HIADMM Cc1cc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000469015766 883082561 /nfs/dbraw/zinc/08/25/61/883082561.db2.gz SAOFWIYFOUBIMZ-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM CC[C@@H](C)C[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000463912823 877034097 /nfs/dbraw/zinc/03/40/97/877034097.db2.gz BSRDSZOOKRGYDH-HZPDHXFCSA-N -1 1 406.523 4.110 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CC(F)(F)F)cc2)cc1C ZINC000464268528 877453135 /nfs/dbraw/zinc/45/31/35/877453135.db2.gz QZLXSGIXBDOWHT-CQSZACIVSA-N -1 1 414.449 4.175 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CC(F)(F)F)cc2)c1 ZINC000464274859 877460727 /nfs/dbraw/zinc/46/07/27/877460727.db2.gz KUYIYTFWNOZNTQ-AWEZNQCLSA-N -1 1 414.449 4.175 20 0 HIADMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000464369525 877568953 /nfs/dbraw/zinc/56/89/53/877568953.db2.gz YNKVWIZSTQSXKT-ZCFIWIBFSA-N -1 1 414.165 4.087 20 0 HIADMM O=S(=O)([N-]c1ccc(Cc2nnc3n2CCCCC3)cc1)c1cccc(Cl)c1 ZINC000464426179 877636852 /nfs/dbraw/zinc/63/68/52/877636852.db2.gz ITXIYMZKZKENCS-UHFFFAOYSA-N -1 1 416.934 4.050 20 0 HIADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000464533074 877749300 /nfs/dbraw/zinc/74/93/00/877749300.db2.gz QQRCOEYJZLFYQV-LAUBAEHRSA-N -1 1 416.543 4.411 20 0 HIADMM O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000464834057 878092594 /nfs/dbraw/zinc/09/25/94/878092594.db2.gz FOAQATSDCCCUDY-UHFFFAOYSA-N -1 1 401.406 4.144 20 0 HIADMM CC[C@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)O1 ZINC000464863471 878144985 /nfs/dbraw/zinc/14/49/85/878144985.db2.gz TVYIDHXKMKVULQ-FUHWJXTLSA-N -1 1 408.907 4.037 20 0 HIADMM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)O1 ZINC000464863423 878145204 /nfs/dbraw/zinc/14/52/04/878145204.db2.gz SGHWDCKWAQBEND-AEFFLSMTSA-N -1 1 408.907 4.037 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000465041974 878402686 /nfs/dbraw/zinc/40/26/86/878402686.db2.gz DHHPAIZWMKLHGA-UHFFFAOYSA-N -1 1 424.256 4.051 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000465084272 878446434 /nfs/dbraw/zinc/44/64/34/878446434.db2.gz KMWKFFIRSJACTL-IYBDPMFKSA-N -1 1 404.919 4.013 20 0 HIADMM CC(C)CC1(CNC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000465227236 878643474 /nfs/dbraw/zinc/64/34/74/878643474.db2.gz YCYWQSUSQPZNGO-UHFFFAOYSA-N -1 1 415.559 4.113 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000465267391 878697213 /nfs/dbraw/zinc/69/72/13/878697213.db2.gz XYQJWACXJSPCGQ-QHCPKHFHSA-N -1 1 410.493 4.171 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000465295442 878736321 /nfs/dbraw/zinc/73/63/21/878736321.db2.gz NEOVFGIHXNCIAZ-BBRMVZONSA-N -1 1 408.470 4.026 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000465297695 878740107 /nfs/dbraw/zinc/74/01/07/878740107.db2.gz VTLYDSSKSDSMNL-OXQOHEQNSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000465298675 878742353 /nfs/dbraw/zinc/74/23/53/878742353.db2.gz WWWDJMXULYIEGL-FOIQADDNSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCC(F)F)c1 ZINC000465387338 878828079 /nfs/dbraw/zinc/82/80/79/878828079.db2.gz MYCZBRAMMDSAKV-UHFFFAOYSA-N -1 1 410.486 4.088 20 0 HIADMM C[C@@H](NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000465837153 879474182 /nfs/dbraw/zinc/47/41/82/879474182.db2.gz GZKGYORXDVEADZ-QGZVFWFLSA-N -1 1 415.559 4.255 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000466864691 880632915 /nfs/dbraw/zinc/63/29/15/880632915.db2.gz LRFSVPISMPJDDW-SECBINFHSA-N -1 1 402.822 4.384 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(COC(C)(C)C)c3C)cc2oc1=O ZINC000466959800 880745997 /nfs/dbraw/zinc/74/59/97/880745997.db2.gz NRILEMSTPGRURB-UHFFFAOYSA-N -1 1 418.515 4.039 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[nH]3)cc2)cc1 ZINC000467082228 880853687 /nfs/dbraw/zinc/85/36/87/880853687.db2.gz BTZSBSYAEAMVHM-UHFFFAOYSA-N -1 1 411.527 4.234 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)C)c2)cc1 ZINC000467082642 880854106 /nfs/dbraw/zinc/85/41/06/880854106.db2.gz CRVZZCDNRZSOKD-UHFFFAOYSA-N -1 1 423.600 4.498 20 0 HIADMM Cc1c(=O)[n-]c(SCCC(=O)Nc2ccc3c(c2)OCO3)nc1-c1ccccc1 ZINC000467204708 880934624 /nfs/dbraw/zinc/93/46/24/880934624.db2.gz ZRJYTNBYURKNCK-UHFFFAOYSA-N -1 1 409.467 4.007 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000467210222 880939083 /nfs/dbraw/zinc/93/90/83/880939083.db2.gz CMHJZDHXZSUHMX-CQSZACIVSA-N -1 1 422.510 4.235 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)nc1-c1ccccc1 ZINC000467210826 880941272 /nfs/dbraw/zinc/94/12/72/880941272.db2.gz FGNXDHFTHSXIEZ-UHFFFAOYSA-N -1 1 419.506 4.362 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2c(O)cccc21 ZINC000469203091 883303003 /nfs/dbraw/zinc/30/30/03/883303003.db2.gz LUVRGJWFLVGRKT-MRXNPFEDSA-N -1 1 422.506 4.347 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC(C)(C)c2cccc(Cl)c2F)c(=O)[n-]1 ZINC000469474380 883701784 /nfs/dbraw/zinc/70/17/84/883701784.db2.gz LSBFEFXXOOBZFH-UHFFFAOYSA-N -1 1 411.930 4.032 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)cc1 ZINC000469925453 884116864 /nfs/dbraw/zinc/11/68/64/884116864.db2.gz HDOZQHFTEJNNAN-KRWDZBQOSA-N -1 1 414.449 4.113 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(OC)nc3C)cc2)cc1 ZINC000469983600 884199333 /nfs/dbraw/zinc/19/93/33/884199333.db2.gz QHNAWVQPUGWSNT-UHFFFAOYSA-N -1 1 400.456 4.000 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000470208389 884526189 /nfs/dbraw/zinc/52/61/89/884526189.db2.gz RVARUYANPICTLA-HNNXBMFYSA-N -1 1 402.454 4.109 20 0 HIADMM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000470372251 884767761 /nfs/dbraw/zinc/76/77/61/884767761.db2.gz IKTAFPDSOMYPPU-UHFFFAOYSA-N -1 1 420.479 4.426 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)CCC2CC2)c1 ZINC000470577590 884992957 /nfs/dbraw/zinc/99/29/57/884992957.db2.gz XKUKWEXIUIQYPH-KRWDZBQOSA-N -1 1 400.544 4.413 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(c2ccccc2)C2Cc3ccccc3C2)c(=O)[n-]1 ZINC000470777028 885247549 /nfs/dbraw/zinc/24/75/49/885247549.db2.gz PQBFDFAZSYBUCX-UHFFFAOYSA-N -1 1 419.550 4.346 20 0 HIADMM CCc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000470906491 885412686 /nfs/dbraw/zinc/41/26/86/885412686.db2.gz NIXLZJVZIIQNLE-UHFFFAOYSA-N -1 1 410.495 4.316 20 0 HIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cc2nccnc2cc1F ZINC000471162069 885717954 /nfs/dbraw/zinc/71/79/54/885717954.db2.gz RYTXNOGZCWTJKD-CQSZACIVSA-N -1 1 405.458 4.341 20 0 HIADMM CCO[C@H](CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000471234847 885809344 /nfs/dbraw/zinc/80/93/44/885809344.db2.gz CTHSRZFPJBPXCO-HXUWFJFHSA-N -1 1 404.532 4.186 20 0 HIADMM COCCC1(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000471238934 885814650 /nfs/dbraw/zinc/81/46/50/885814650.db2.gz XWMUGGYLKQRXLY-UHFFFAOYSA-N -1 1 416.543 4.331 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(Cl)c(Br)cc1F ZINC000471602350 886315987 /nfs/dbraw/zinc/31/59/87/886315987.db2.gz CCXQIQKMLIMSMB-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)ccc1F ZINC000471604138 886319242 /nfs/dbraw/zinc/31/92/42/886319242.db2.gz WOLDPPCHJIPKJM-UHFFFAOYSA-N -1 1 420.506 4.006 20 0 HIADMM Cn1ccc2cccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)c21 ZINC000471671178 886382702 /nfs/dbraw/zinc/38/27/02/886382702.db2.gz LNCICWQMUWDLES-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM Cn1ccc2cccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)c21 ZINC000471702492 886410894 /nfs/dbraw/zinc/41/08/94/886410894.db2.gz OKCMGFGMDUFHJC-UHFFFAOYSA-N -1 1 423.469 4.371 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(Br)cc2C)n[nH]c1-c1ccccc1 ZINC000471948923 886750926 /nfs/dbraw/zinc/75/09/26/886750926.db2.gz OSTGAXJTETUCRR-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c(C)n1 ZINC000471956390 886773958 /nfs/dbraw/zinc/77/39/58/886773958.db2.gz FGNAGEZMEOVIEA-UHFFFAOYSA-N -1 1 413.474 4.199 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCCc2cccc(-c3ccccc3)c2)c(=O)[n-]1 ZINC000472214158 887014240 /nfs/dbraw/zinc/01/42/40/887014240.db2.gz PENRFXNPHPNEFK-UHFFFAOYSA-N -1 1 407.539 4.171 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1 ZINC000504284341 913139430 /nfs/dbraw/zinc/13/94/30/913139430.db2.gz OAXXSEPTJWMGTN-UHFFFAOYSA-N -1 1 402.756 4.197 20 0 HIADMM CC(C)(C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])C(F)F ZINC000472489219 887355377 /nfs/dbraw/zinc/35/53/77/887355377.db2.gz UIFNFTPZZYXXBK-UHFFFAOYSA-N -1 1 418.849 4.076 20 0 HIADMM CCCc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000504323839 913166240 /nfs/dbraw/zinc/16/62/40/913166240.db2.gz FQOLBXJQZBAVIV-UHFFFAOYSA-N -1 1 401.513 4.149 20 0 HIADMM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000473015226 887842276 /nfs/dbraw/zinc/84/22/76/887842276.db2.gz MHYWQAKMVDVRLU-GXTWGEPZSA-N -1 1 406.276 4.223 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)c3cncs3)c2)c1 ZINC000473186128 887967444 /nfs/dbraw/zinc/96/74/44/887967444.db2.gz IOCZZMQBXCSALK-HNNXBMFYSA-N -1 1 415.540 4.052 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC4(CCC4)C3)c2)cc1F ZINC000473313508 888059111 /nfs/dbraw/zinc/05/91/11/888059111.db2.gz FVSDSJBXNOZXIP-UHFFFAOYSA-N -1 1 416.518 4.341 20 0 HIADMM Cc1ncsc1NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000473430512 888152029 /nfs/dbraw/zinc/15/20/29/888152029.db2.gz YTLHWANCQGTABQ-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc2cc[nH]c2c1 ZINC000473582157 888323601 /nfs/dbraw/zinc/32/36/01/888323601.db2.gz IBMOXCILDRTFNW-UHFFFAOYSA-N -1 1 423.469 4.384 20 0 HIADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)sc1Cl ZINC000473903185 888778601 /nfs/dbraw/zinc/77/86/01/888778601.db2.gz UTBUNYCQSWGLDY-VIFPVBQESA-N -1 1 405.879 4.494 20 0 HIADMM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000474086411 888911334 /nfs/dbraw/zinc/91/13/34/888911334.db2.gz CQUHNXXKSLATNG-KBPBESRZSA-N -1 1 420.918 4.085 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cccc1-c1nnc2n1CCCCC2 ZINC000504540748 913319126 /nfs/dbraw/zinc/31/91/26/913319126.db2.gz CUPXDHYGQYLDGM-UHFFFAOYSA-N -1 1 416.934 4.434 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000474331312 889202108 /nfs/dbraw/zinc/20/21/08/889202108.db2.gz NPBVXFBTCHPKJS-UHFFFAOYSA-N -1 1 418.906 4.027 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3cc(C4CCOCC4)n[nH]3)cc2)c1 ZINC000474409757 889276418 /nfs/dbraw/zinc/27/64/18/889276418.db2.gz GDGFRSURNABFHY-UHFFFAOYSA-N -1 1 413.499 4.205 20 0 HIADMM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)O2 ZINC000474420022 889284079 /nfs/dbraw/zinc/28/40/79/889284079.db2.gz YZNCHEPCUJHXCP-JOCHJYFZSA-N -1 1 422.506 4.128 20 0 HIADMM O=C(CCC1CCCC1)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474532767 889405228 /nfs/dbraw/zinc/40/52/28/889405228.db2.gz FUYNARKUKBPDTG-UHFFFAOYSA-N -1 1 404.507 4.213 20 0 HIADMM Cc1ccc(F)c(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000474543459 889419649 /nfs/dbraw/zinc/41/96/49/889419649.db2.gz OVDLGZHWEMNTFR-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CCCCCOc1ccc([C@@H](C)NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1OC ZINC000474543955 889419715 /nfs/dbraw/zinc/41/97/15/889419715.db2.gz PCHRJMHQRGOLCM-CYBMUJFWSA-N -1 1 419.547 4.281 20 0 HIADMM C[C@H](C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccsc1 ZINC000474561113 889437632 /nfs/dbraw/zinc/43/76/32/889437632.db2.gz SRDGFJOGMAHCHV-AWEZNQCLSA-N -1 1 418.515 4.108 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000474583225 889454434 /nfs/dbraw/zinc/45/44/34/889454434.db2.gz DHEXRXJVYFZBKV-UHFFFAOYSA-N -1 1 400.331 4.227 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000474692394 889552630 /nfs/dbraw/zinc/55/26/30/889552630.db2.gz NJPHGSMLGMEBLD-UHFFFAOYSA-N -1 1 402.564 4.265 20 0 HIADMM CCN(c1ccccc1)c1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000474999997 889852193 /nfs/dbraw/zinc/85/21/93/889852193.db2.gz HYUJPBGGIVXTKF-UHFFFAOYSA-N -1 1 408.527 4.301 20 0 HIADMM C[C@@H](Sc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)C(=O)[O-] ZINC000504666634 913406959 /nfs/dbraw/zinc/40/69/59/913406959.db2.gz WTLWPMLWVIDRGZ-SECBINFHSA-N -1 1 406.312 4.359 20 0 HIADMM C[C@@H]1CC[C@H](CNC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000475303826 890211684 /nfs/dbraw/zinc/21/16/84/890211684.db2.gz ONFNIBPRAHPGLS-MSOLQXFVSA-N -1 1 415.559 4.065 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000475391753 890319137 /nfs/dbraw/zinc/31/91/37/890319137.db2.gz GUEQNXYDNAJRNH-QGZVFWFLSA-N -1 1 423.922 4.089 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c(F)ccc(F)c1F ZINC000475488648 890395626 /nfs/dbraw/zinc/39/56/26/890395626.db2.gz WNIBSDKOHWIDNT-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CC[C@H]1CCCC[C@H]1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000475536617 890462567 /nfs/dbraw/zinc/46/25/67/890462567.db2.gz JFEPTMRWPXZYMU-FXAWDEMLSA-N -1 1 400.544 4.320 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])cc1Cl ZINC000475745892 890689332 /nfs/dbraw/zinc/68/93/32/890689332.db2.gz FJEPBFCBLRVPIQ-UHFFFAOYSA-N -1 1 424.689 4.463 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)c(C)c1F ZINC000475786153 890726740 /nfs/dbraw/zinc/72/67/40/890726740.db2.gz LDOYULDNZQMVDN-UHFFFAOYSA-N -1 1 410.364 4.057 20 0 HIADMM O=S(=O)([N-]c1cc(-c2ccccc2)ccc1Cl)c1cnn(C2CCOCC2)c1 ZINC000475836598 890770143 /nfs/dbraw/zinc/77/01/43/890770143.db2.gz UHOQDBUJAGMHIK-UHFFFAOYSA-N -1 1 417.918 4.356 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)cc1Cl ZINC000475842234 890775685 /nfs/dbraw/zinc/77/56/85/890775685.db2.gz ZTHGURLDDDWDGF-UHFFFAOYSA-N -1 1 413.952 4.265 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000476059957 890989144 /nfs/dbraw/zinc/98/91/44/890989144.db2.gz KKYVLUXCGCZTBG-HXUWFJFHSA-N -1 1 420.490 4.105 20 0 HIADMM Cc1nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)nn1-c1c(Cl)cccc1Cl ZINC000476140505 891061999 /nfs/dbraw/zinc/06/19/99/891061999.db2.gz GLPMHJKUQZCPNW-UHFFFAOYSA-N -1 1 423.207 4.005 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)cc1 ZINC000476378560 891293424 /nfs/dbraw/zinc/29/34/24/891293424.db2.gz OGPJVZLSFABCRE-UHFFFAOYSA-N -1 1 405.516 4.288 20 0 HIADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)c1 ZINC000476402486 891318245 /nfs/dbraw/zinc/31/82/45/891318245.db2.gz FKBFRLKWHQHZFG-UHFFFAOYSA-N -1 1 414.483 4.163 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)ccc1Br ZINC000476411635 891323127 /nfs/dbraw/zinc/32/31/27/891323127.db2.gz CXXWHVWFUSUXCX-UHFFFAOYSA-N -1 1 414.321 4.184 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1C(=O)NC(C)C ZINC000476427091 891338685 /nfs/dbraw/zinc/33/86/85/891338685.db2.gz XBDQWKJCXHOFEN-UHFFFAOYSA-N -1 1 414.449 4.261 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c2ccccc12 ZINC000476465194 891376881 /nfs/dbraw/zinc/37/68/81/891376881.db2.gz WRFJOQDFMXWPEY-UHFFFAOYSA-N -1 1 424.400 4.498 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2scnc2C2CC2)cc1 ZINC000477099317 892032489 /nfs/dbraw/zinc/03/24/89/892032489.db2.gz LEJVBGYNBPYZKP-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM Cc1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000477338853 892307741 /nfs/dbraw/zinc/30/77/41/892307741.db2.gz SLNXTJJAJFWQNS-UHFFFAOYSA-N -1 1 424.526 4.360 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn([C@H](C)CC)c1C1CC1 ZINC000477563496 892618705 /nfs/dbraw/zinc/61/87/05/892618705.db2.gz MJRXEFLKKDGMOI-CQSZACIVSA-N -1 1 404.536 4.136 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000504942590 913684605 /nfs/dbraw/zinc/68/46/05/913684605.db2.gz MCVLMEVXMNJDGK-ZIAGYGMSSA-N -1 1 412.433 4.405 20 0 HIADMM Cc1ccc(-c2ccc(C)c(NC(=O)Cc3c(C)nc(-c4ccncc4)[n-]c3=O)c2)o1 ZINC000477612576 892706935 /nfs/dbraw/zinc/70/69/35/892706935.db2.gz PPBWNWNMXOQZIF-UHFFFAOYSA-N -1 1 414.465 4.198 20 0 HIADMM Cc1nc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cs1 ZINC000477793379 892870330 /nfs/dbraw/zinc/87/03/30/892870330.db2.gz HEDOOENKVMZXBK-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000504969493 913710109 /nfs/dbraw/zinc/71/01/09/913710109.db2.gz BSFGPCPZAVXZDQ-HXUWFJFHSA-N -1 1 420.534 4.426 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(C4CCCC4)C3)c2)c1 ZINC000477924378 893012208 /nfs/dbraw/zinc/01/22/08/893012208.db2.gz FNAMNZVPUSBVAQ-UHFFFAOYSA-N -1 1 412.555 4.366 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(CCc3ccccc3)no2)cc1)c1ccccc1 ZINC000504992042 913737977 /nfs/dbraw/zinc/73/79/77/913737977.db2.gz RBOZHCIOFDZHOC-UHFFFAOYSA-N -1 1 405.479 4.323 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)cc1 ZINC000478183907 893346999 /nfs/dbraw/zinc/34/69/99/893346999.db2.gz QCQYVSFRWLFNBU-GOSISDBHSA-N -1 1 400.544 4.447 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)[C@H]1CCC(C)(C)C1 ZINC000478198356 893360281 /nfs/dbraw/zinc/36/02/81/893360281.db2.gz RHNWRZWUPDONMS-SFHVURJKSA-N -1 1 404.507 4.277 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@H]1CCC(C)(C)C1 ZINC000478203365 893365945 /nfs/dbraw/zinc/36/59/45/893365945.db2.gz VUZOBUGVKACHGN-SFHVURJKSA-N -1 1 404.507 4.277 20 0 HIADMM C[C@H](Oc1ccccc1F)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478398810 893681085 /nfs/dbraw/zinc/68/10/85/893681085.db2.gz JWJWAIBKBUXPJQ-HNNXBMFYSA-N -1 1 414.458 4.033 20 0 HIADMM CCc1ccccc1OCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478533290 893835424 /nfs/dbraw/zinc/83/54/24/893835424.db2.gz DSBVPTLHPUDRDW-UHFFFAOYSA-N -1 1 424.522 4.376 20 0 HIADMM Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)sn1 ZINC000478556101 893847678 /nfs/dbraw/zinc/84/76/78/893847678.db2.gz GOYDZRAJUIBSCV-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)sn1 ZINC000478570784 893853535 /nfs/dbraw/zinc/85/35/35/893853535.db2.gz URIHIWIEXFPXAR-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(CC1CC1)C1CCC1 ZINC000478626190 893882681 /nfs/dbraw/zinc/88/26/81/893882681.db2.gz IEHHSWDKTORACY-UHFFFAOYSA-N -1 1 416.518 4.340 20 0 HIADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000478854911 894134611 /nfs/dbraw/zinc/13/46/11/894134611.db2.gz LIBORVVTRAPJEQ-WWNPGLIZSA-N -1 1 406.526 4.177 20 0 HIADMM CSCCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000479033270 894296235 /nfs/dbraw/zinc/29/62/35/894296235.db2.gz ZAJSBCFBMOHJHA-UHFFFAOYSA-N -1 1 424.563 4.198 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc(Cl)c1[O-] ZINC000505178514 913864905 /nfs/dbraw/zinc/86/49/05/913864905.db2.gz HXXYFOHQIFVCCP-ZWKOTPCHSA-N -1 1 405.878 4.379 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1occ2c1CCC2 ZINC000505182109 913866941 /nfs/dbraw/zinc/86/69/41/913866941.db2.gz NFPVJIPRZGIMIA-UHFFFAOYSA-N -1 1 418.421 4.100 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1cnn(CC(F)(F)F)c1 ZINC000479158086 894427401 /nfs/dbraw/zinc/42/74/01/894427401.db2.gz OJNPMCDICKGNRP-UHFFFAOYSA-N -1 1 408.616 4.206 20 0 HIADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000479160615 894430667 /nfs/dbraw/zinc/43/06/67/894430667.db2.gz SPSYZUFOEQIUBS-UHFFFAOYSA-N -1 1 418.469 4.059 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)C(F)(F)F)ccc2C)cc1 ZINC000479367475 894667750 /nfs/dbraw/zinc/66/77/50/894667750.db2.gz OWEFQURSDZRBBX-AWEZNQCLSA-N -1 1 414.449 4.032 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](C)C(F)(F)F)cc2)cc1C ZINC000479379988 894680606 /nfs/dbraw/zinc/68/06/06/894680606.db2.gz MYNKZMGQEBYNBD-AWEZNQCLSA-N -1 1 414.449 4.032 20 0 HIADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000479427552 894739710 /nfs/dbraw/zinc/73/97/10/894739710.db2.gz SQNBMFXVLUWCJP-HRAATJIYSA-N -1 1 400.544 4.365 20 0 HIADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)c1 ZINC000479463643 894785706 /nfs/dbraw/zinc/78/57/06/894785706.db2.gz AYLCGYJAQWNWEY-UHFFFAOYSA-N -1 1 415.870 4.244 20 0 HIADMM O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1ccc2ncsc2c1 ZINC000479481076 894803448 /nfs/dbraw/zinc/80/34/48/894803448.db2.gz GJYRBOAMIHLXIC-UHFFFAOYSA-N -1 1 406.539 4.100 20 0 HIADMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)c1 ZINC000479503835 894819215 /nfs/dbraw/zinc/81/92/15/894819215.db2.gz OVNFWCYLJWGURV-HSZRJFAPSA-N -1 1 424.341 4.141 20 0 HIADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000479510403 894824981 /nfs/dbraw/zinc/82/49/81/894824981.db2.gz DXRBSBOPCGQNDI-UHFFFAOYSA-N -1 1 410.898 4.214 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(C(F)(F)F)c3)ccc2[nH]1 ZINC000479555798 894854485 /nfs/dbraw/zinc/85/44/85/894854485.db2.gz FUHCXXHAUSDCHA-UHFFFAOYSA-N -1 1 402.781 4.001 20 0 HIADMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479564714 894861639 /nfs/dbraw/zinc/86/16/39/894861639.db2.gz GUSJZCURIVXDIO-UHFFFAOYSA-N -1 1 412.496 4.333 20 0 HIADMM O=S(=O)([N-]c1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cc(F)c(F)c(F)c1 ZINC000479570736 894864782 /nfs/dbraw/zinc/86/47/82/894864782.db2.gz RBNMFJNVPDDHNU-UHFFFAOYSA-N -1 1 421.322 4.109 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1cccc(Br)c1 ZINC000505293911 913952463 /nfs/dbraw/zinc/95/24/63/913952463.db2.gz OCJQDVUBJWYZKA-UHFFFAOYSA-N -1 1 405.273 4.437 20 0 HIADMM Cc1nc2nc(S(=O)(=O)Cc3cccc4ccccc43)[n-]c2cc1Br ZINC000479984324 895337214 /nfs/dbraw/zinc/33/72/14/895337214.db2.gz FUNOXANUZUKJEA-UHFFFAOYSA-N -1 1 416.300 4.156 20 0 HIADMM Cc1[n-]c2nc(S(=O)(=O)Cc3cccc4ccccc43)nc-2cc1Br ZINC000479984324 895337254 /nfs/dbraw/zinc/33/72/54/895337254.db2.gz FUNOXANUZUKJEA-UHFFFAOYSA-N -1 1 416.300 4.156 20 0 HIADMM Cc1nc2nc(S(=O)(=O)[C@H](C)c3cccc(Cl)c3)[n-]c2cc1Br ZINC000480006841 895359277 /nfs/dbraw/zinc/35/92/77/895359277.db2.gz AIHMLEIMFNXDDP-SECBINFHSA-N -1 1 414.712 4.217 20 0 HIADMM Cc1[n-]c2nc(S(=O)(=O)[C@H](C)c3cccc(Cl)c3)nc-2cc1Br ZINC000480006841 895359312 /nfs/dbraw/zinc/35/93/12/895359312.db2.gz AIHMLEIMFNXDDP-SECBINFHSA-N -1 1 414.712 4.217 20 0 HIADMM Cc1ccccc1S(=O)(=O)[N-]c1nc(C)c(Br)cc1Br ZINC000480098368 895463797 /nfs/dbraw/zinc/46/37/97/895463797.db2.gz NYGLHHZOLKLJGL-UHFFFAOYSA-N -1 1 420.126 4.024 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(-c3ccccc3)nn2C(C)C)c(=O)[n-]1 ZINC000505313866 913974815 /nfs/dbraw/zinc/97/48/15/913974815.db2.gz WJLOPMUGJCRRHY-UHFFFAOYSA-N -1 1 411.531 4.228 20 0 HIADMM Cn1cc(Nc2cccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2)cn1 ZINC000480220495 895624634 /nfs/dbraw/zinc/62/46/34/895624634.db2.gz GRJIJPVYCZHIGN-UHFFFAOYSA-N -1 1 410.421 4.069 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C(C)C)no3)ccc2C)c1 ZINC000505323139 913985010 /nfs/dbraw/zinc/98/50/10/913985010.db2.gz PVHJJFXEWAUECJ-UHFFFAOYSA-N -1 1 413.499 4.468 20 0 HIADMM O=S(=O)([N-]c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(CC(F)(F)F)cc1 ZINC000480221887 895627851 /nfs/dbraw/zinc/62/78/51/895627851.db2.gz ICLSOTWCKIGWFT-KRWDZBQOSA-N -1 1 415.433 4.150 20 0 HIADMM COc1ccc(C(C)(C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000480793185 896160775 /nfs/dbraw/zinc/16/07/75/896160775.db2.gz YTVZZQCBYJXBNW-UHFFFAOYSA-N -1 1 424.522 4.412 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC[C@@H](C2CC2)C1 ZINC000481058246 896379788 /nfs/dbraw/zinc/37/97/88/896379788.db2.gz YQFDNDOJEMVAGT-MRXNPFEDSA-N -1 1 404.919 4.013 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Br)cn1 ZINC000481211503 896565085 /nfs/dbraw/zinc/56/50/85/896565085.db2.gz GZCVLQSPQSNUGL-ZCFIWIBFSA-N -1 1 416.149 4.252 20 0 HIADMM C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000481485122 896867282 /nfs/dbraw/zinc/86/72/82/896867282.db2.gz XWXBSDSSELWKRX-SJCJKPOMSA-N -1 1 401.388 4.165 20 0 HIADMM CCOC(=O)COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCS4)cc1 ZINC000481541516 896900155 /nfs/dbraw/zinc/90/01/55/896900155.db2.gz IOTPJHYALLMRKN-UHFFFAOYSA-N -1 1 402.497 4.044 20 0 HIADMM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccccc2F)C1)c1sccc1Br ZINC000481563508 896939724 /nfs/dbraw/zinc/93/97/24/896939724.db2.gz NZFVJXGSZCWMRH-GHMZBOCLSA-N -1 1 404.326 4.264 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)ccc1[O-] ZINC000481604940 896985149 /nfs/dbraw/zinc/98/51/49/896985149.db2.gz AMAUGYWUZSZUQM-UHFFFAOYSA-N -1 1 424.906 4.126 20 0 HIADMM Cc1cccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])c1 ZINC000481830161 897198340 /nfs/dbraw/zinc/19/83/40/897198340.db2.gz MKICOXIGSOWHHA-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM COc1ccc(-c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3)nc2)cc1Cl ZINC000481842772 897208413 /nfs/dbraw/zinc/20/84/13/897208413.db2.gz CXCYKHRFQJRSGS-UHFFFAOYSA-N -1 1 406.866 4.492 20 0 HIADMM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1cc([C@H]2CCCOC2)n[nH]1 ZINC000481853830 897221468 /nfs/dbraw/zinc/22/14/68/897221468.db2.gz AYIFOCUTSHKBGM-NSHDSACASA-N -1 1 411.936 4.281 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1Cl ZINC000481958943 897348666 /nfs/dbraw/zinc/34/86/66/897348666.db2.gz UZXODPCFSFZYRO-UHFFFAOYSA-N -1 1 412.870 4.170 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1Cl ZINC000481966723 897356351 /nfs/dbraw/zinc/35/63/51/897356351.db2.gz IAVXCHBLOMSMTH-UHFFFAOYSA-N -1 1 423.922 4.084 20 0 HIADMM Cc1nc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(Cl)cc1Cl ZINC000481967551 897357611 /nfs/dbraw/zinc/35/76/11/897357611.db2.gz ZFAKKOHRQOLJFW-UHFFFAOYSA-N -1 1 401.193 4.396 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1Cl ZINC000481993363 897389856 /nfs/dbraw/zinc/38/98/56/897389856.db2.gz XBEQJUIHBPFFRN-UHFFFAOYSA-N -1 1 408.694 4.109 20 0 HIADMM COc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1-c1ccnn1C ZINC000482573925 898170185 /nfs/dbraw/zinc/17/01/85/898170185.db2.gz IFSBAQZFTFENID-UHFFFAOYSA-N -1 1 416.275 4.125 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(CSc3nccn3C)o2)c1 ZINC000482581136 898177269 /nfs/dbraw/zinc/17/72/69/898177269.db2.gz SWILBZONHREWJE-UHFFFAOYSA-N -1 1 422.304 4.334 20 0 HIADMM Cc1csc(N2CCC(C(=O)Nc3cc(C)cc(Br)c3[O-])CC2)n1 ZINC000482629979 898233346 /nfs/dbraw/zinc/23/33/46/898233346.db2.gz JGCBESGCXLXRMN-UHFFFAOYSA-N -1 1 410.337 4.083 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CCC(=O)CCC(=O)c2cccs2)c1 ZINC000482675329 898277676 /nfs/dbraw/zinc/27/76/76/898277676.db2.gz PYSSQWXCGSCQFR-UHFFFAOYSA-N -1 1 424.316 4.476 20 0 HIADMM CCc1ccnc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)c1 ZINC000482750503 898355181 /nfs/dbraw/zinc/35/51/81/898355181.db2.gz CHMBRYUEAILNNJ-UHFFFAOYSA-N -1 1 424.457 4.301 20 0 HIADMM COc1ccc(NC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000482971518 898605561 /nfs/dbraw/zinc/60/55/61/898605561.db2.gz UQCQTVIANRRDJQ-QGZVFWFLSA-N -1 1 417.531 4.001 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C3CCCCC3)c2)c1 ZINC000483165020 898834843 /nfs/dbraw/zinc/83/48/43/898834843.db2.gz GVTCKMLRFVYLGC-UHFFFAOYSA-N -1 1 407.557 4.043 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1 ZINC000483199365 898854705 /nfs/dbraw/zinc/85/47/05/898854705.db2.gz QROMSRMIQMZUNG-UHFFFAOYSA-N -1 1 414.483 4.090 20 0 HIADMM COc1ccc([C@@H](C)N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000483250121 898891449 /nfs/dbraw/zinc/89/14/49/898891449.db2.gz AHRRDATYLBOWAE-QGZVFWFLSA-N -1 1 424.522 4.329 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000483302133 898934263 /nfs/dbraw/zinc/93/42/63/898934263.db2.gz WPKUYFXHKIDRMS-RDTXWAMCSA-N -1 1 404.507 4.243 20 0 HIADMM COc1cccc(Cl)c1-c1noc(C)c1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000483792132 899462736 /nfs/dbraw/zinc/46/27/36/899462736.db2.gz ZQRXGCDVWPUCPF-UHFFFAOYSA-N -1 1 418.240 4.260 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccccc1C(F)(F)F ZINC000484100178 899728103 /nfs/dbraw/zinc/72/81/03/899728103.db2.gz DIGBSLUDSRVNTN-UHFFFAOYSA-N -1 1 418.400 4.445 20 0 HIADMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1F ZINC000484176338 899795134 /nfs/dbraw/zinc/79/51/34/899795134.db2.gz SQJCLXGFYSIURG-UHFFFAOYSA-N -1 1 400.410 4.012 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000484632330 900081574 /nfs/dbraw/zinc/08/15/74/900081574.db2.gz YLTMNYNVGPQJRN-UHFFFAOYSA-N -1 1 420.506 4.292 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000484672323 900115282 /nfs/dbraw/zinc/11/52/82/900115282.db2.gz VEDFKIXAGZVABQ-UHFFFAOYSA-N -1 1 411.483 4.278 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c(Br)c1 ZINC000484806247 900210117 /nfs/dbraw/zinc/21/01/17/900210117.db2.gz ARDAXXBJQVCBIY-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM O=C(CCc1cccc(F)c1F)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505771924 914439732 /nfs/dbraw/zinc/43/97/32/914439732.db2.gz FURIBNLJOWMDMB-UHFFFAOYSA-N -1 1 416.449 4.337 20 0 HIADMM COC(=O)c1c(F)ccc([N-]C(=O)c2c(F)ccc(Br)c2F)c1F ZINC000485172005 900469100 /nfs/dbraw/zinc/46/91/00/900469100.db2.gz DBQFXWJGMBKPLY-UHFFFAOYSA-N -1 1 406.129 4.044 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000505784199 914451108 /nfs/dbraw/zinc/45/11/08/914451108.db2.gz PBJMHLDRJQJINY-KBPBESRZSA-N -1 1 412.433 4.405 20 0 HIADMM Cc1cc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)ncc1Br ZINC000485429751 900726310 /nfs/dbraw/zinc/72/63/10/900726310.db2.gz ICUSXJGKJNPAJF-UHFFFAOYSA-N -1 1 409.227 4.113 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCCSC3)ccc2C)c1 ZINC000485434279 900731426 /nfs/dbraw/zinc/73/14/26/900731426.db2.gz RGYAHCYZJLOFQT-MRXNPFEDSA-N -1 1 404.557 4.186 20 0 HIADMM Cn1cccc1[C@@H]1CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485569507 900839276 /nfs/dbraw/zinc/83/92/76/900839276.db2.gz NZXKIAXBQPAUKJ-HNNXBMFYSA-N -1 1 400.276 4.019 20 0 HIADMM O=C(CC1(C(F)(F)F)CC1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000485666000 900916908 /nfs/dbraw/zinc/91/69/08/900916908.db2.gz WWCPTJADRMUJME-UHFFFAOYSA-N -1 1 416.396 4.298 20 0 HIADMM CC(C)N(Cc1cccnc1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485832010 901078442 /nfs/dbraw/zinc/07/84/42/901078442.db2.gz IRCMEMWOYAQNNB-UHFFFAOYSA-N -1 1 400.276 4.149 20 0 HIADMM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1c(Cl)cccc1C(F)(F)F ZINC000485864623 901105066 /nfs/dbraw/zinc/10/50/66/901105066.db2.gz RPOKFSYDPWIABT-UHFFFAOYSA-N -1 1 402.825 4.361 20 0 HIADMM Cc1cc(F)ccc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000485911030 901138615 /nfs/dbraw/zinc/13/86/15/901138615.db2.gz YPFVUGWNKFRQOE-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cc[nH]c1C1CCC1 ZINC000486083574 901272890 /nfs/dbraw/zinc/27/28/90/901272890.db2.gz UQUSCSRRMQEVIW-UHFFFAOYSA-N -1 1 409.511 4.013 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC(C)(C)Cc1ccccc1Cl ZINC000487235927 902109343 /nfs/dbraw/zinc/10/93/43/902109343.db2.gz XIYWYCXZEVDWBZ-UHFFFAOYSA-N -1 1 424.932 4.276 20 0 HIADMM Cc1cscc1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000487327382 902155093 /nfs/dbraw/zinc/15/50/93/902155093.db2.gz ZKGWRZZXRWRZKA-UHFFFAOYSA-N -1 1 400.525 4.130 20 0 HIADMM CCCc1nnc([N-]C(=O)c2coc(-c3ccc(Br)cc3F)n2)s1 ZINC000487726148 902319605 /nfs/dbraw/zinc/31/96/05/902319605.db2.gz KLTXKKGYXJUZAC-UHFFFAOYSA-N -1 1 411.256 4.300 20 0 HIADMM COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000487798924 902372409 /nfs/dbraw/zinc/37/24/09/902372409.db2.gz BMWDZJAQGPEYRR-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000488238848 902714158 /nfs/dbraw/zinc/71/41/58/902714158.db2.gz XSZSVPIJQWHHSI-UHFFFAOYSA-N -1 1 416.812 4.049 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488243074 902718659 /nfs/dbraw/zinc/71/86/59/902718659.db2.gz KJPCYMMMBNIMGH-LLVKDONJSA-N -1 1 420.289 4.349 20 0 HIADMM Cc1ccccc1C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000488889783 903060019 /nfs/dbraw/zinc/06/00/19/903060019.db2.gz YZUVAAUMWWCVDV-SFHVURJKSA-N -1 1 408.523 4.157 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2coc3ccccc23)cc1 ZINC000488894478 903064285 /nfs/dbraw/zinc/06/42/85/903064285.db2.gz YHHUKVUGDLXMNG-UHFFFAOYSA-N -1 1 420.490 4.472 20 0 HIADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(Cl)c3)cc2)cc1 ZINC000489161510 903238484 /nfs/dbraw/zinc/23/84/84/903238484.db2.gz JOGKJAUKDCUYHL-UHFFFAOYSA-N -1 1 402.859 4.032 20 0 HIADMM COCc1cccc(CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000489458618 903396129 /nfs/dbraw/zinc/39/61/29/903396129.db2.gz BFGYYXKALRMYON-UHFFFAOYSA-N -1 1 424.522 4.123 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(Br)c(F)c3)ccc21 ZINC000489765367 903588990 /nfs/dbraw/zinc/58/89/90/903588990.db2.gz LMWKANLECWFRFE-UHFFFAOYSA-N -1 1 412.284 4.320 20 0 HIADMM CCN(Cc1ccccn1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000490059983 903749620 /nfs/dbraw/zinc/74/96/20/903749620.db2.gz PDUVXCJOXZIPMH-UHFFFAOYSA-N -1 1 423.538 4.162 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000490187027 903815985 /nfs/dbraw/zinc/81/59/85/903815985.db2.gz KKYGRNRKKPEVGK-UHFFFAOYSA-N -1 1 406.552 4.067 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([C@@H]4C[C@@H]4C)[nH]n3)ccc2C)cc1 ZINC000490262102 903860359 /nfs/dbraw/zinc/86/03/59/903860359.db2.gz SSSROVYARDLUOV-MAUKXSAKSA-N -1 1 424.526 4.203 20 0 HIADMM CC1(C)CC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)O1 ZINC000490412200 903993578 /nfs/dbraw/zinc/99/35/78/903993578.db2.gz DREWBKLMPVCHTE-QGZVFWFLSA-N -1 1 408.907 4.037 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@@H]1OCCc2sccc21 ZINC000490614424 904137108 /nfs/dbraw/zinc/13/71/08/904137108.db2.gz BBRFFLCXPZPHRZ-RTHLEPHNSA-N -1 1 410.319 4.175 20 0 HIADMM CC[C@@H](c1ccccc1OC)N(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000490920182 904317777 /nfs/dbraw/zinc/31/77/77/904317777.db2.gz RCUNCCFTKBDFEB-FQEVSTJZSA-N -1 1 420.513 4.104 20 0 HIADMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000491074023 904412719 /nfs/dbraw/zinc/41/27/19/904412719.db2.gz HAZFOQSSEASSFC-VQIMIIECSA-N -1 1 404.304 4.361 20 0 HIADMM CC[C@H]1C[C@@]1(NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cccc(C)c1 ZINC000506165954 914830447 /nfs/dbraw/zinc/83/04/47/914830447.db2.gz GQNSQFJDNVVLTB-DFBJGRDBSA-N -1 1 416.525 4.235 20 0 HIADMM CCc1c([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cnn1CCC(C)C ZINC000491594469 904665982 /nfs/dbraw/zinc/66/59/82/904665982.db2.gz QLSGNJQXKLVFEL-UHFFFAOYSA-N -1 1 420.510 4.228 20 0 HIADMM C[C@H]1CC(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H](C)C1 ZINC000506190316 914839136 /nfs/dbraw/zinc/83/91/36/914839136.db2.gz NWKRQJCUOOSVNU-IAGOWNOFSA-N -1 1 400.544 4.176 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3(C)CCCCC3)c2)cc1 ZINC000492591210 904873723 /nfs/dbraw/zinc/87/37/23/904873723.db2.gz OJQBNCDHYMLMBB-UHFFFAOYSA-N -1 1 416.543 4.339 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC/C=C/c3ccccc3)c2)cc1 ZINC000493913087 905266289 /nfs/dbraw/zinc/26/62/89/905266289.db2.gz SXGWKTITVXWMLK-RMKNXTFCSA-N -1 1 406.507 4.239 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000494019879 905359708 /nfs/dbraw/zinc/35/97/08/905359708.db2.gz WMENCCUFHWNOJI-CQSZACIVSA-N -1 1 416.456 4.265 20 0 HIADMM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000512415722 921145299 /nfs/dbraw/zinc/14/52/99/921145299.db2.gz PIKBEIADCSHKPU-UHFFFAOYSA-N -1 1 402.328 4.028 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@@H]2CCC2CCCC2)cc1[N-]S(C)(=O)=O ZINC000494181406 905516977 /nfs/dbraw/zinc/51/69/77/905516977.db2.gz BJOABKIIGRMLRD-QGZVFWFLSA-N -1 1 409.552 4.033 20 0 HIADMM COc1cc(NC(=O)N2CCC[C@@H]2CCC2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000494186769 905521607 /nfs/dbraw/zinc/52/16/07/905521607.db2.gz VGYMCGZJVQSXJX-GOSISDBHSA-N -1 1 423.579 4.424 20 0 HIADMM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000494378995 905676242 /nfs/dbraw/zinc/67/62/42/905676242.db2.gz UZKBHLKFJGXCJO-SSDOTTSWSA-N -1 1 410.202 4.127 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000494551675 905830026 /nfs/dbraw/zinc/83/00/26/905830026.db2.gz CWCFWLXRNQQFRQ-UHFFFAOYSA-N -1 1 416.421 4.167 20 0 HIADMM CCC(CC)N(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000494834057 906026009 /nfs/dbraw/zinc/02/60/09/906026009.db2.gz CXJAXNXQVZCIMR-UHFFFAOYSA-N -1 1 410.486 4.416 20 0 HIADMM O=C(CC1CCCCCC1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000495101107 906240946 /nfs/dbraw/zinc/24/09/46/906240946.db2.gz LGVOBXZBXYZTBI-UHFFFAOYSA-N -1 1 400.544 4.464 20 0 HIADMM Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(Br)c([O-])c2)c(C)c1 ZINC000496016078 906600938 /nfs/dbraw/zinc/60/09/38/906600938.db2.gz YMUGKHPFYXULCQ-SFHVURJKSA-N -1 1 414.303 4.139 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1)C(C)=O ZINC000512626455 921266701 /nfs/dbraw/zinc/26/67/01/921266701.db2.gz UIHOFXUMJQQGOD-UHFFFAOYSA-N -1 1 402.560 4.444 20 0 HIADMM CC(C)C[C@@H](NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1)c1ccccc1 ZINC000497442502 906916863 /nfs/dbraw/zinc/91/68/63/906916863.db2.gz NUDRUVRMJFLKRK-GOSISDBHSA-N -1 1 415.559 4.060 20 0 HIADMM CC[C@@H](C)Oc1cccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000497633140 907115771 /nfs/dbraw/zinc/11/57/71/907115771.db2.gz KURHIXXOLCDIAW-OAHLLOKOSA-N -1 1 406.486 4.301 20 0 HIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)c2)o1 ZINC000512752331 921301512 /nfs/dbraw/zinc/30/15/12/921301512.db2.gz MWKPPTWAYQOLHV-UHFFFAOYSA-N -1 1 419.462 4.194 20 0 HIADMM O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)c1nc2ccccc2c(=O)[n-]1 ZINC000497739719 907235822 /nfs/dbraw/zinc/23/58/22/907235822.db2.gz POSRBILURFNQOW-OAQYLSRUSA-N -1 1 415.518 4.383 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1-n1ccnc1)c1c(Cl)cc(Cl)cc1Cl ZINC000512813204 921318587 /nfs/dbraw/zinc/31/85/87/921318587.db2.gz DFEMZLYEQDKCHW-UHFFFAOYSA-N -1 1 416.717 4.311 20 0 HIADMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3Br)cc2F)c1 ZINC000498008000 907497317 /nfs/dbraw/zinc/49/73/17/907497317.db2.gz QBTZOKGUIFNFPI-UHFFFAOYSA-N -1 1 424.295 4.192 20 0 HIADMM COc1ccc(Br)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000498015451 907507503 /nfs/dbraw/zinc/50/75/03/907507503.db2.gz KMUBRETVFHUQOD-UHFFFAOYSA-N -1 1 417.300 4.218 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C4CC4)n3)c2)cc1 ZINC000498134268 907653918 /nfs/dbraw/zinc/65/39/18/907653918.db2.gz DSDIZTSZAIFAHO-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCCc2ccccc2C1 ZINC000498205172 907737992 /nfs/dbraw/zinc/73/79/92/907737992.db2.gz OBEJTUMWOAJSSO-UHFFFAOYSA-N -1 1 406.507 4.076 20 0 HIADMM Cc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000498211876 907742106 /nfs/dbraw/zinc/74/21/06/907742106.db2.gz WVHADXOGGWHGKL-UHFFFAOYSA-N -1 1 401.513 4.179 20 0 HIADMM Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000498215593 907745687 /nfs/dbraw/zinc/74/56/87/907745687.db2.gz IFLFCPRWIBFVAY-LLVKDONJSA-N -1 1 411.321 4.374 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000498217512 907747978 /nfs/dbraw/zinc/74/79/78/907747978.db2.gz WWAAHJLNBMJKSI-YMAMQOFZSA-N -1 1 412.324 4.156 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3cccc(F)c3)c2)c1 ZINC000498277506 907813542 /nfs/dbraw/zinc/81/35/42/907813542.db2.gz SLFOQJOPLSVLKR-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM O=C(NCc1c(F)cccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000498298168 907826825 /nfs/dbraw/zinc/82/68/25/907826825.db2.gz FZDHDESIXNFAFY-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000498395425 907878738 /nfs/dbraw/zinc/87/87/38/907878738.db2.gz ICPICMCYJKVVIE-AWEZNQCLSA-N -1 1 413.586 4.090 20 0 HIADMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000498399799 907881370 /nfs/dbraw/zinc/88/13/70/907881370.db2.gz YOCKTZQNOLSFBR-UHFFFAOYSA-N -1 1 413.326 4.339 20 0 HIADMM CC[C@H](C)Sc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c(C)c1 ZINC000498432551 907899239 /nfs/dbraw/zinc/89/92/39/907899239.db2.gz FQFWQVUFRQTCAW-ZDUSSCGKSA-N -1 1 409.529 4.393 20 0 HIADMM COc1cc(Br)cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 ZINC000498486468 907958033 /nfs/dbraw/zinc/95/80/33/907958033.db2.gz FVEXTHQUAFDOTB-UHFFFAOYSA-N -1 1 424.320 4.189 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1cccc(OCc2ccccc2)c1 ZINC000498506855 907980675 /nfs/dbraw/zinc/98/06/75/907980675.db2.gz DGOCKPMFHVWWIW-UHFFFAOYSA-N -1 1 419.525 4.340 20 0 HIADMM CCCN(CC(F)F)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000498727541 908153562 /nfs/dbraw/zinc/15/35/62/908153562.db2.gz QTUCOAYQAZCZAD-UHFFFAOYSA-N -1 1 410.486 4.222 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)c2)cc1 ZINC000499140399 908497528 /nfs/dbraw/zinc/49/75/28/908497528.db2.gz VUSZPBUFBYUGFU-CKJXQJPGSA-N -1 1 416.543 4.051 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(F)F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000512920682 921415189 /nfs/dbraw/zinc/41/51/89/921415189.db2.gz ZGGAAOIYZKJIKT-GJZGRUSLSA-N -1 1 414.861 4.289 20 0 HIADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000499265527 908644055 /nfs/dbraw/zinc/64/40/55/908644055.db2.gz PSPWTTSQPALYKQ-UHFFFAOYSA-N -1 1 424.400 4.149 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)c3ccco3)c2)cc1F ZINC000499564733 908841690 /nfs/dbraw/zinc/84/16/90/908841690.db2.gz ZHODJVJXZFVXKI-OAHLLOKOSA-N -1 1 416.474 4.361 20 0 HIADMM CC(C)n1c(CCNC(=O)c2ccc(Br)c([O-])c2)nc2ccccc21 ZINC000499845517 908977839 /nfs/dbraw/zinc/97/78/39/908977839.db2.gz GRQBXVFUGRNJDO-UHFFFAOYSA-N -1 1 402.292 4.058 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(F)cn2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000499967843 909409588 /nfs/dbraw/zinc/40/95/88/909409588.db2.gz WPNCYELOGOONFG-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000500075319 909544888 /nfs/dbraw/zinc/54/48/88/909544888.db2.gz OAQBIJZUZCBXFD-GOSISDBHSA-N -1 1 424.497 4.256 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3CC(C)C)cc2)cc1 ZINC000500183076 909677644 /nfs/dbraw/zinc/67/76/44/909677644.db2.gz SLPOHEMVXQESCB-HXUWFJFHSA-N -1 1 400.544 4.447 20 0 HIADMM O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000500195391 909686648 /nfs/dbraw/zinc/68/66/48/909686648.db2.gz XVTFAJZCEAQBLS-UHFFFAOYSA-N -1 1 409.315 4.023 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1C(F)(F)F ZINC000500330737 909790046 /nfs/dbraw/zinc/79/00/46/909790046.db2.gz PVZKMSYFMHXPHG-UHFFFAOYSA-N -1 1 400.422 4.409 20 0 HIADMM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000500823601 910103441 /nfs/dbraw/zinc/10/34/41/910103441.db2.gz OZMHRJYSRPTFBF-UHFFFAOYSA-N -1 1 409.511 4.075 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C)[C@H](C)C3)cc2)c1C ZINC000501641114 910732982 /nfs/dbraw/zinc/73/29/82/910732982.db2.gz AOUOBPBQPPQFIX-NVXWUHKLSA-N -1 1 400.544 4.222 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000501653309 910739271 /nfs/dbraw/zinc/73/92/71/910739271.db2.gz BJAIINKWWHUBKP-KRWDZBQOSA-N -1 1 418.541 4.356 20 0 HIADMM O=C(Cc1ccc(Cl)s1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000513191135 921610984 /nfs/dbraw/zinc/61/09/84/921610984.db2.gz FGBNCNCUZQVKIO-UHFFFAOYSA-N -1 1 406.916 4.384 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3CCC(F)(F)CC3)cc2)cc1 ZINC000501834146 910876332 /nfs/dbraw/zinc/87/63/32/910876332.db2.gz WNMRXAMYOPWZJS-UHFFFAOYSA-N -1 1 422.497 4.351 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)c(C)c1 ZINC000501837409 910879217 /nfs/dbraw/zinc/87/92/17/910879217.db2.gz BIFLCENHZDECFH-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)c(Cl)c2)cc1C ZINC000501858485 910889137 /nfs/dbraw/zinc/88/91/37/910889137.db2.gz NKXIBPXOVIWFMD-UHFFFAOYSA-N -1 1 408.936 4.037 20 0 HIADMM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000502927929 911913990 /nfs/dbraw/zinc/91/39/90/911913990.db2.gz FTISAFINLGUCLW-QFBILLFUSA-N -1 1 402.516 4.021 20 0 HIADMM C[C@@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@@H]1n1ccnc1 ZINC000503074738 912043489 /nfs/dbraw/zinc/04/34/89/912043489.db2.gz RFYUMYJGKHTHPT-KDOFPFPSSA-N -1 1 423.517 4.070 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)c1ccc(F)cn1 ZINC000503170495 912144801 /nfs/dbraw/zinc/14/48/01/912144801.db2.gz IAGHFVMURZIDTL-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000506453594 915052073 /nfs/dbraw/zinc/05/20/73/915052073.db2.gz UUPXATVHZUTCEE-UONOGXRCSA-N -1 1 412.433 4.405 20 0 HIADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000506712021 915389658 /nfs/dbraw/zinc/38/96/58/915389658.db2.gz WYUHQEDEMXQVJO-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c1C ZINC000507566885 916322803 /nfs/dbraw/zinc/32/28/03/916322803.db2.gz OSVBEHQXVZPAIS-UHFFFAOYSA-N -1 1 412.439 4.130 20 0 HIADMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)ccc1F ZINC000507631065 916389461 /nfs/dbraw/zinc/38/94/61/916389461.db2.gz WEQINMZVMBHGIW-UHFFFAOYSA-N -1 1 404.232 4.039 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)c(Br)c1 ZINC000507631267 916390310 /nfs/dbraw/zinc/39/03/10/916390310.db2.gz XYPALKIQRTUPKT-UHFFFAOYSA-N -1 1 424.316 4.302 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c(C)c1 ZINC000507636018 916396379 /nfs/dbraw/zinc/39/63/79/916396379.db2.gz NSXVHOCVJBWWSV-UHFFFAOYSA-N -1 1 412.439 4.130 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c(C)c1F ZINC000507638606 916397147 /nfs/dbraw/zinc/39/71/47/916397147.db2.gz UJGWJRNOLBGLAB-UHFFFAOYSA-N -1 1 402.419 4.491 20 0 HIADMM CC[C@@H](C)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000507732516 916526541 /nfs/dbraw/zinc/52/65/41/916526541.db2.gz NKKAWWPDXXRMPR-OAHLLOKOSA-N -1 1 420.531 4.269 20 0 HIADMM O=C(CSc1cccc2cccc(Cl)c21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507919540 916800651 /nfs/dbraw/zinc/80/06/51/916800651.db2.gz RCTKPMCBRBKBMH-CYBMUJFWSA-N -1 1 403.891 4.080 20 0 HIADMM O=C(Nc1ccccn1)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000508034186 916864811 /nfs/dbraw/zinc/86/48/11/916864811.db2.gz YRQGOXRRMAOBRF-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM C[C@H]1CCC[C@H](CNC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000508248905 917068411 /nfs/dbraw/zinc/06/84/11/917068411.db2.gz OAAHKALUVXLWIN-WMZOPIPTSA-N -1 1 418.534 4.112 20 0 HIADMM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCO1 ZINC000508523504 917307894 /nfs/dbraw/zinc/30/78/94/917307894.db2.gz XHESWSVGJSDWRN-FXAWDEMLSA-N -1 1 416.543 4.248 20 0 HIADMM COc1ccc(-c2cc3[n-]c(CN(C)CCc4ccc(F)cc4)nc(=O)c3s2)cc1 ZINC000508662967 917426911 /nfs/dbraw/zinc/42/69/11/917426911.db2.gz ONCMCGSDDKMCDO-UHFFFAOYSA-N -1 1 423.513 4.474 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCc4c3cccc4F)cc2)cc1 ZINC000509067292 917812876 /nfs/dbraw/zinc/81/28/76/917812876.db2.gz JOCYSBQZYANZFT-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)NC2CC2)cc1 ZINC000509100986 917839739 /nfs/dbraw/zinc/83/97/39/917839739.db2.gz VVYWXQPYUYVMHG-UHFFFAOYSA-N -1 1 413.421 4.099 20 0 HIADMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509102660 917842824 /nfs/dbraw/zinc/84/28/24/917842824.db2.gz IFVJZLMQPRQHJA-UHFFFAOYSA-N -1 1 412.433 4.015 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000509175391 917888000 /nfs/dbraw/zinc/88/80/00/917888000.db2.gz ZOHPUWRIADTPRW-KRWDZBQOSA-N -1 1 415.704 4.364 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1nc2c(s1)CCCCCC2 ZINC000509233488 917929661 /nfs/dbraw/zinc/92/96/61/917929661.db2.gz OJJNFLSKWPTSRK-UHFFFAOYSA-N -1 1 423.542 4.239 20 0 HIADMM O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509293285 917973804 /nfs/dbraw/zinc/97/38/04/917973804.db2.gz HMSLLKORIJORAA-UHFFFAOYSA-N -1 1 413.861 4.027 20 0 HIADMM Cc1ccc(CN(Cc2ccco2)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000509318045 917993652 /nfs/dbraw/zinc/99/36/52/917993652.db2.gz GGXWKQZISRRVFC-UHFFFAOYSA-N -1 1 424.526 4.176 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)ccc1C ZINC000509391614 918058003 /nfs/dbraw/zinc/05/80/03/918058003.db2.gz ZVXMGBAINRNTJR-UHFFFAOYSA-N -1 1 414.458 4.092 20 0 HIADMM CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H](C)c1cccc(OC)c1 ZINC000509397873 918063290 /nfs/dbraw/zinc/06/32/90/918063290.db2.gz XTBSGPNTJFUAML-KRWDZBQOSA-N -1 1 420.513 4.104 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000509451879 918105380 /nfs/dbraw/zinc/10/53/80/918105380.db2.gz PXZPALLZRQYZOR-MRXNPFEDSA-N -1 1 416.481 4.451 20 0 HIADMM CO[C@H](C)c1nsc(=NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)[n-]1 ZINC000509602784 918251374 /nfs/dbraw/zinc/25/13/74/918251374.db2.gz SXBWDJQUWQIFNL-LLVKDONJSA-N -1 1 401.363 4.051 20 0 HIADMM CCN(CC)[C@@H](CN=c1nc([C@H](C)OC)[n-]s1)c1ccc(C(F)(F)F)cc1 ZINC000509642802 918282091 /nfs/dbraw/zinc/28/20/91/918282091.db2.gz ZJSCUFZYOJIZLI-WFASDCNBSA-N -1 1 402.486 4.181 20 0 HIADMM Cc1ccc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cc1O ZINC000510062249 918633270 /nfs/dbraw/zinc/63/32/70/918633270.db2.gz CKLQKYDXKQGZQL-UHFFFAOYSA-N -1 1 407.651 4.210 20 0 HIADMM Cc1noc(COc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 ZINC000510163193 918715346 /nfs/dbraw/zinc/71/53/46/918715346.db2.gz MHSPQBRBDHLHJC-UHFFFAOYSA-N -1 1 414.270 4.065 20 0 HIADMM Cc1ccc(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)s1 ZINC000510820233 919299058 /nfs/dbraw/zinc/29/90/58/919299058.db2.gz IFYKYMCRZWFCCN-UHFFFAOYSA-N -1 1 422.478 4.317 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000511125933 919737431 /nfs/dbraw/zinc/73/74/31/919737431.db2.gz OUTXXXUDENHINW-UHFFFAOYSA-N -1 1 423.796 4.089 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccn3)ccc2C)c1 ZINC000511131772 919747742 /nfs/dbraw/zinc/74/77/42/919747742.db2.gz SOFYAYZWOYDXFS-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000511199750 919814087 /nfs/dbraw/zinc/81/40/87/919814087.db2.gz KNJYLAGWFRYEAE-UHFFFAOYSA-N -1 1 420.840 4.299 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000511214187 919824098 /nfs/dbraw/zinc/82/40/98/919824098.db2.gz DVWFOWVZLMYEJB-UHFFFAOYSA-N -1 1 410.318 4.077 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl ZINC000511235692 919840031 /nfs/dbraw/zinc/84/00/31/919840031.db2.gz OTBNNLYVRKUJKY-UHFFFAOYSA-N -1 1 406.935 4.159 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)cc2)cc1 ZINC000511282022 919877374 /nfs/dbraw/zinc/87/73/74/919877374.db2.gz XSKVETDSXPJOAG-UHFFFAOYSA-N -1 1 408.523 4.022 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000511295188 919892020 /nfs/dbraw/zinc/89/20/20/919892020.db2.gz IYDGKDJZOTZJTG-INIZCTEOSA-N -1 1 404.532 4.111 20 0 HIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1coc(C2CCOCC2)n1 ZINC000511395251 920005396 /nfs/dbraw/zinc/00/53/96/920005396.db2.gz CRCDFQVULFWPJQ-INIZCTEOSA-N -1 1 410.499 4.141 20 0 HIADMM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1c(Cl)cccc1C(F)(F)F ZINC000511437645 920046883 /nfs/dbraw/zinc/04/68/83/920046883.db2.gz OKCPGBUVLFDGQU-UHFFFAOYSA-N -1 1 404.841 4.154 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1F ZINC000511712756 920379120 /nfs/dbraw/zinc/37/91/20/920379120.db2.gz NSUAMNNICMZYIN-UHFFFAOYSA-N -1 1 401.459 4.319 20 0 HIADMM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000511872525 920602274 /nfs/dbraw/zinc/60/22/74/920602274.db2.gz MFLOPNNSVFECQQ-SSDOTTSWSA-N -1 1 402.271 4.079 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@@H](C)CC)c2)cc1 ZINC000512146943 920889751 /nfs/dbraw/zinc/88/97/51/920889751.db2.gz RJOKNQYQQDBVKQ-HOTGVXAUSA-N -1 1 404.532 4.051 20 0 HIADMM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1OC ZINC000512180363 920920711 /nfs/dbraw/zinc/92/07/11/920920711.db2.gz KSMSEWYBNGLLOV-ZETCQYMHSA-N -1 1 414.307 4.251 20 0 HIADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)s1 ZINC000512292298 921046552 /nfs/dbraw/zinc/04/65/52/921046552.db2.gz AUDDYYUJDLPWSE-VIFPVBQESA-N -1 1 422.308 4.041 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000512319987 921070100 /nfs/dbraw/zinc/07/01/00/921070100.db2.gz OKBZPORRXGTSPP-OCCSQVGLSA-N -1 1 411.449 4.297 20 0 HIADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000513681225 922001639 /nfs/dbraw/zinc/00/16/39/922001639.db2.gz YXEQCMYTAZCODY-GOSISDBHSA-N -1 1 400.544 4.386 20 0 HIADMM CC[C@H]1C[C@H](CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513719352 922039647 /nfs/dbraw/zinc/03/96/47/922039647.db2.gz BNPSDAHJBRWGML-MJGOQNOKSA-N -1 1 416.543 4.330 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)cc(Cl)c1[O-] ZINC000514347530 922602593 /nfs/dbraw/zinc/60/25/93/922602593.db2.gz FJUZZVLHHNCVMU-INIZCTEOSA-N -1 1 405.878 4.439 20 0 HIADMM Cc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n1 ZINC000515159307 922959591 /nfs/dbraw/zinc/95/95/91/922959591.db2.gz AIGSTBDPNXAUCB-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)s1 ZINC000515574067 923190579 /nfs/dbraw/zinc/19/05/79/923190579.db2.gz FCRRTCSQVPEJPU-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000515655497 923245396 /nfs/dbraw/zinc/24/53/96/923245396.db2.gz QHXINHCLVRCADF-UHFFFAOYSA-N -1 1 406.935 4.465 20 0 HIADMM O=S(=O)([N-]CCCCOc1ccc(Cl)cc1)c1sccc1Br ZINC000515726631 923306326 /nfs/dbraw/zinc/30/63/26/923306326.db2.gz HKRAGQCUOSIYSY-UHFFFAOYSA-N -1 1 424.769 4.302 20 0 HIADMM CN(Cc1ccoc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000515984756 923480130 /nfs/dbraw/zinc/48/01/30/923480130.db2.gz IIBGPJKVHCPIEO-UHFFFAOYSA-N -1 1 404.875 4.006 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000516021877 923505903 /nfs/dbraw/zinc/50/59/03/923505903.db2.gz BXOZFSKISLWWBT-UHFFFAOYSA-N -1 1 410.706 4.473 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)c1 ZINC000516148976 923576019 /nfs/dbraw/zinc/57/60/19/923576019.db2.gz XRHDBWWUPRICLF-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)c2)no1 ZINC000516397732 923710352 /nfs/dbraw/zinc/71/03/52/923710352.db2.gz OSWBZLKRYANADK-UHFFFAOYSA-N -1 1 403.463 4.417 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000516594353 923806060 /nfs/dbraw/zinc/80/60/60/923806060.db2.gz STHYZOJCGAWDAR-OAHLLOKOSA-N -1 1 420.538 4.403 20 0 HIADMM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC000516770000 923881946 /nfs/dbraw/zinc/88/19/46/923881946.db2.gz QWZYYIBXFLGHFJ-UHFFFAOYSA-N -1 1 414.327 4.360 20 0 HIADMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2Oc2cccc(F)c2)cc1 ZINC000517135356 924018688 /nfs/dbraw/zinc/01/86/88/924018688.db2.gz DKCQNPCYICXWDQ-UHFFFAOYSA-N -1 1 415.442 4.436 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)o1 ZINC000517415077 924166180 /nfs/dbraw/zinc/16/61/80/924166180.db2.gz YZKRMCQVZCFVQV-OAHLLOKOSA-N -1 1 419.421 4.151 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CC[C@H](C)CC3)cc2)c1C ZINC000517458217 924203960 /nfs/dbraw/zinc/20/39/60/924203960.db2.gz MWVPFGUBWKKBSI-RHDGDCLCSA-N -1 1 400.544 4.413 20 0 HIADMM Cc1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)CCC2 ZINC000517675686 926780392 /nfs/dbraw/zinc/78/03/92/926780392.db2.gz VOWHDKQBSKBRQG-UHFFFAOYSA-N -1 1 406.507 4.389 20 0 HIADMM CCC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CC1 ZINC000517678143 926783404 /nfs/dbraw/zinc/78/34/04/926783404.db2.gz XVKACXFXLZBVRN-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3c(C)cc(Br)cc3C)c2)no1 ZINC000518057119 926994527 /nfs/dbraw/zinc/99/45/27/926994527.db2.gz AMEHBKHLTJUSNY-UHFFFAOYSA-N -1 1 422.304 4.225 20 0 HIADMM COc1ccsc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000518492022 927305730 /nfs/dbraw/zinc/30/57/30/927305730.db2.gz RWRAEVHYQQFDCC-UHFFFAOYSA-N -1 1 416.524 4.427 20 0 HIADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1F ZINC000518698847 927441054 /nfs/dbraw/zinc/44/10/54/927441054.db2.gz CBFJCHYUSTYFRL-UHFFFAOYSA-N -1 1 420.849 4.171 20 0 HIADMM O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000518933026 927639141 /nfs/dbraw/zinc/63/91/41/927639141.db2.gz NBPISJOUPMCWJI-UHFFFAOYSA-N -1 1 408.458 4.150 20 0 HIADMM CC(C)Oc1cccc(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000519026570 927701543 /nfs/dbraw/zinc/70/15/43/927701543.db2.gz NGPHNGFDZATJHS-UHFFFAOYSA-N -1 1 424.522 4.456 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1C ZINC000519123290 927790453 /nfs/dbraw/zinc/79/04/53/927790453.db2.gz UASHOQZLENGYIV-SFHVURJKSA-N -1 1 400.544 4.427 20 0 HIADMM CCC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000519160007 927807381 /nfs/dbraw/zinc/80/73/81/927807381.db2.gz XCEQSAIQJYXSKX-UHFFFAOYSA-N -1 1 423.494 4.088 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1c(F)ccc([O-])c1F ZINC000519232621 927838992 /nfs/dbraw/zinc/83/89/92/927838992.db2.gz XPXMCOJMOQRYCR-MGCOHNPYSA-N -1 1 400.194 4.248 20 0 HIADMM CCc1ccc(NC(=O)c2nnc(CSc3nc(C(F)F)cc(=O)[n-]3)s2)cc1 ZINC000519481377 927979391 /nfs/dbraw/zinc/97/93/91/927979391.db2.gz JXHMWEXPHQDNEL-UHFFFAOYSA-N -1 1 423.470 4.078 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H](C)CC2)cc1 ZINC000519874622 928108245 /nfs/dbraw/zinc/10/82/45/928108245.db2.gz MWQKPMLJSCBOGV-OAHLLOKOSA-N -1 1 404.507 4.197 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000519914929 928148962 /nfs/dbraw/zinc/14/89/62/928148962.db2.gz ZBCASFSJIAQPQJ-LJQANCHMSA-N -1 1 424.497 4.256 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccccn3)cc2)cc1 ZINC000520088290 928301960 /nfs/dbraw/zinc/30/19/60/928301960.db2.gz KLFQTHSJJQWUIN-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H](C)CC3)c2)c1 ZINC000520138975 928334783 /nfs/dbraw/zinc/33/47/83/928334783.db2.gz XOQNVYDEXVQLSY-INIZCTEOSA-N -1 1 400.544 4.366 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)c(F)c2)c1 ZINC000520298296 928460243 /nfs/dbraw/zinc/46/02/43/928460243.db2.gz VYORMXAJJXAOHW-UHFFFAOYSA-N -1 1 423.897 4.229 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c(C)c1 ZINC000520621012 928679701 /nfs/dbraw/zinc/67/97/01/928679701.db2.gz PJVHTGFSZJHEFO-QGZVFWFLSA-N -1 1 418.559 4.420 20 0 HIADMM CC(C)(NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccccc1 ZINC000520725460 928774575 /nfs/dbraw/zinc/77/45/75/928774575.db2.gz UXMIEYQJFZNDRP-UHFFFAOYSA-N -1 1 412.486 4.292 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1C ZINC000520914852 928872894 /nfs/dbraw/zinc/87/28/94/928872894.db2.gz IQIXXNLDZLKKFD-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1C ZINC000520967897 928894388 /nfs/dbraw/zinc/89/43/88/928894388.db2.gz FYSNPVSPXLHUCW-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4cccs4)no3)cc2)cc1 ZINC000521021004 928938413 /nfs/dbraw/zinc/93/84/13/928938413.db2.gz ONJCXVOBWXVITP-UHFFFAOYSA-N -1 1 413.480 4.275 20 0 HIADMM CCOc1cccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000521056839 928964911 /nfs/dbraw/zinc/96/49/11/928964911.db2.gz SIBYLOGCFFVBIB-KRWDZBQOSA-N -1 1 424.522 4.377 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](C)CC3)cc2)c1C ZINC000521097200 928993252 /nfs/dbraw/zinc/99/32/52/928993252.db2.gz DHKDQGFBCBVDEN-MRXNPFEDSA-N -1 1 400.544 4.366 20 0 HIADMM CCc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)n1 ZINC000521287103 929102797 /nfs/dbraw/zinc/10/27/97/929102797.db2.gz KECSHIREGRLGDV-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)Cc1ccc2ccccc2c1 ZINC000521700637 929375689 /nfs/dbraw/zinc/37/56/89/929375689.db2.gz WKFZFUVINLWVHJ-UHFFFAOYSA-N -1 1 412.493 4.297 20 0 HIADMM COc1cc(NC(=O)CC2CCC(c3ccccc3)CC2)ccc1[N-]S(C)(=O)=O ZINC000521713114 929382792 /nfs/dbraw/zinc/38/27/92/929382792.db2.gz PBWYIUISRIJJMR-UHFFFAOYSA-N -1 1 416.543 4.369 20 0 HIADMM O=S(=O)(Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000521713309 929382883 /nfs/dbraw/zinc/38/28/83/929382883.db2.gz YKSMJQNPXAIQDQ-UHFFFAOYSA-N -1 1 421.927 4.115 20 0 HIADMM O=C(N[C@H](Cc1ccccc1Cl)c1ccccc1)c1nc2ccccc2c(=O)[n-]1 ZINC000521727842 929392458 /nfs/dbraw/zinc/39/24/58/929392458.db2.gz WOEHHSCANXEIRM-HXUWFJFHSA-N -1 1 403.869 4.290 20 0 HIADMM CCC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)CC1 ZINC000521989107 929613481 /nfs/dbraw/zinc/61/34/81/929613481.db2.gz CGFMFTBIYZKRDH-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCC[C@@H]1C1CCC1 ZINC000524499986 929646711 /nfs/dbraw/zinc/64/67/11/929646711.db2.gz MAEIUYJWULFZEE-HXUWFJFHSA-N -1 1 402.491 4.031 20 0 HIADMM CC(C)(C)c1cc(CCC(=O)NC2(c3nn[n-]n3)CCCC2)cc(C(C)(C)C)c1O ZINC000524577872 929696397 /nfs/dbraw/zinc/69/63/97/929696397.db2.gz ZYSOBHJGAKTRBK-UHFFFAOYSA-N -1 1 413.566 4.019 20 0 HIADMM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000525007419 929970172 /nfs/dbraw/zinc/97/01/72/929970172.db2.gz FNQLDKURIIJGEL-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cccc1NC(=O)c1ccccc1 ZINC000525010057 929971066 /nfs/dbraw/zinc/97/10/66/929971066.db2.gz OVSMPSFAVPNKRU-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000525054507 930006282 /nfs/dbraw/zinc/00/62/82/930006282.db2.gz WLOSNIWXETYKJG-IEBWSBKVSA-N -1 1 400.544 4.272 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c2cccnc12 ZINC000525238910 930100398 /nfs/dbraw/zinc/10/03/98/930100398.db2.gz SGNCDNKDRADLDF-UHFFFAOYSA-N -1 1 407.451 4.232 20 0 HIADMM Cc1cccc2c(CC(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)c[nH]c21 ZINC000525454295 930250550 /nfs/dbraw/zinc/25/05/50/930250550.db2.gz VFCAQOFEGHFYLY-UHFFFAOYSA-N -1 1 419.506 4.458 20 0 HIADMM CCO[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000525583552 930345847 /nfs/dbraw/zinc/34/58/47/930345847.db2.gz FQALPQFDJMINSM-NRFANRHFSA-N -1 1 410.495 4.204 20 0 HIADMM Cc1cc(-c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)ccc1-n1cncn1 ZINC000525713910 930412867 /nfs/dbraw/zinc/41/28/67/930412867.db2.gz RWRNHRFIZBWUKN-UHFFFAOYSA-N -1 1 403.442 4.347 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)S[C@H](C)C3)c2)c1 ZINC000525717170 930413727 /nfs/dbraw/zinc/41/37/27/930413727.db2.gz INIPHPUEVKOOEQ-IAGOWNOFSA-N -1 1 418.584 4.070 20 0 HIADMM CCO[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000527116755 930594699 /nfs/dbraw/zinc/59/46/99/930594699.db2.gz ANCWUVSORMSXER-QGZVFWFLSA-N -1 1 414.886 4.034 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)N(C1CC1)C1CCCC1 ZINC000530847213 930840106 /nfs/dbraw/zinc/84/01/06/930840106.db2.gz UAFAESUNNUUYLI-UHFFFAOYSA-N -1 1 413.543 4.104 20 0 HIADMM Cc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)[N-]c3ccccc3C)cc1)CC2 ZINC000530906347 930854948 /nfs/dbraw/zinc/85/49/48/930854948.db2.gz NWKQNPBCIBHYTN-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(Br)c3C)c2)n1 ZINC000531106323 930922039 /nfs/dbraw/zinc/92/20/39/930922039.db2.gz TXLQDNFBIANVFD-UHFFFAOYSA-N -1 1 422.304 4.225 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(F)ccc3O)cc2)c1C ZINC000531133826 930935717 /nfs/dbraw/zinc/93/57/17/930935717.db2.gz XMZULHQABZBJQZ-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000531339652 931022891 /nfs/dbraw/zinc/02/28/91/931022891.db2.gz QDQRYYKMJBKPSQ-SFHVURJKSA-N -1 1 423.510 4.115 20 0 HIADMM Cc1ccoc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000531351515 931027596 /nfs/dbraw/zinc/02/75/96/931027596.db2.gz KWFNHUSFBJSROE-UHFFFAOYSA-N -1 1 406.847 4.000 20 0 HIADMM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000531485779 931074406 /nfs/dbraw/zinc/07/44/06/931074406.db2.gz SONZALCVKPFJFR-NRFANRHFSA-N -1 1 406.463 4.091 20 0 HIADMM CC1(C)c2cc(S(=O)(=O)[N-]c3cccc(CCC(F)(F)F)c3)ccc2NC1=O ZINC000531527582 931093389 /nfs/dbraw/zinc/09/33/89/931093389.db2.gz LRPRBQVDAWTEON-UHFFFAOYSA-N -1 1 412.433 4.212 20 0 HIADMM Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(F)cc3[O-])[nH]c(=O)c2c1C ZINC000531756080 931184172 /nfs/dbraw/zinc/18/41/72/931184172.db2.gz ZLCXOXIXLQAVMU-SNVBAGLBSA-N -1 1 407.492 4.119 20 0 HIADMM NC(=O)N[C@H](CC(=O)Nc1ccc(F)cc1[O-])c1cccc(Oc2ccccc2)c1 ZINC000532012706 931284243 /nfs/dbraw/zinc/28/42/43/931284243.db2.gz UJZLSPYALGJESJ-LJQANCHMSA-N -1 1 409.417 4.062 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCCF)c1 ZINC000532014977 931284362 /nfs/dbraw/zinc/28/43/62/931284362.db2.gz IVYNAOHQFVQSFQ-UHFFFAOYSA-N -1 1 406.523 4.183 20 0 HIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)cc2)cs1 ZINC000532286932 931384828 /nfs/dbraw/zinc/38/48/28/931384828.db2.gz SRGYNGBJADOANS-UHFFFAOYSA-N -1 1 413.524 4.149 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3O)cc2)ccc1F ZINC000532622160 931556969 /nfs/dbraw/zinc/55/69/69/931556969.db2.gz FUHLUBZHUUFIDK-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000532749894 931622260 /nfs/dbraw/zinc/62/22/60/931622260.db2.gz PKSRBNQCNGQVFS-GFCCVEGCSA-N -1 1 412.795 4.052 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N(CC(F)F)C1CC1 ZINC000532770750 931627880 /nfs/dbraw/zinc/62/78/80/931627880.db2.gz PODXJAOUSBMLQC-UHFFFAOYSA-N -1 1 414.861 4.011 20 0 HIADMM CC(C)c1noc([C@H](C)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000532955591 931709713 /nfs/dbraw/zinc/70/97/13/931709713.db2.gz OVDOUVJKLMBEGJ-INIZCTEOSA-N -1 1 414.531 4.187 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000533179949 931803088 /nfs/dbraw/zinc/80/30/88/931803088.db2.gz OUFARUGIKLWUNL-JQWIXIFHSA-N -1 1 405.825 4.202 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1 ZINC000533648383 931944304 /nfs/dbraw/zinc/94/43/04/931944304.db2.gz NCRWWDBFSFKLNP-UHFFFAOYSA-N -1 1 419.268 4.155 20 0 HIADMM CC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CCC1 ZINC000533686042 931969776 /nfs/dbraw/zinc/96/97/76/931969776.db2.gz OBIIBIJPEZJLFC-UHFFFAOYSA-N -1 1 412.433 4.179 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(CO)ccc3C)cc2)c1C ZINC000534226951 932346052 /nfs/dbraw/zinc/34/60/52/932346052.db2.gz QYCAVCAKRDTRTM-UHFFFAOYSA-N -1 1 424.522 4.157 20 0 HIADMM Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000534321382 932382381 /nfs/dbraw/zinc/38/23/81/932382381.db2.gz FICKHBBLAQTPAS-UHFFFAOYSA-N -1 1 404.451 4.182 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1 ZINC000534359732 932392938 /nfs/dbraw/zinc/39/29/38/932392938.db2.gz VHWIUOGKCCHHBM-UHFFFAOYSA-N -1 1 419.268 4.155 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000534370683 932400341 /nfs/dbraw/zinc/40/03/41/932400341.db2.gz UCONBESZYMTCPC-UHFFFAOYSA-N -1 1 404.426 4.247 20 0 HIADMM Cc1ccc(C(=O)N2CC=C(C)CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000534458963 932475715 /nfs/dbraw/zinc/47/57/15/932475715.db2.gz MKJXXTNCZQAFFA-UHFFFAOYSA-N -1 1 404.919 4.241 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(c1nccs1)C2)c1ccc2ncccc2c1 ZINC000534614765 932598568 /nfs/dbraw/zinc/59/85/68/932598568.db2.gz QVKHMEOOVWQGFR-UHFFFAOYSA-N -1 1 408.508 4.012 20 0 HIADMM COc1ccc(C[C@H](C)C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000534653496 932624987 /nfs/dbraw/zinc/62/49/87/932624987.db2.gz SDYUWLMYIULWQF-KRWDZBQOSA-N -1 1 424.522 4.313 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(F)c(Br)c1 ZINC000534672828 932642922 /nfs/dbraw/zinc/64/29/22/932642922.db2.gz RZYIBNABDMZXHI-UHFFFAOYSA-N -1 1 420.210 4.203 20 0 HIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(Cc4ccc(C)cc4)s3)cs2)n1C ZINC000534677818 932648175 /nfs/dbraw/zinc/64/81/75/932648175.db2.gz UJQVPFGZMAYLLV-UHFFFAOYSA-N -1 1 409.540 4.460 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccccc3NC3CCCCC3)cc21 ZINC000535025523 932887576 /nfs/dbraw/zinc/88/75/76/932887576.db2.gz RSBVQOWBKZVXDP-UHFFFAOYSA-N -1 1 413.543 4.141 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1 ZINC000535093469 932905120 /nfs/dbraw/zinc/90/51/20/932905120.db2.gz CMZSSAZWPQXBNV-UHFFFAOYSA-N -1 1 419.268 4.155 20 0 HIADMM O=C(Nc1ccc(Cl)cc1[O-])c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000535420604 933127613 /nfs/dbraw/zinc/12/76/13/933127613.db2.gz YURMZXDWRBEZOR-UHFFFAOYSA-N -1 1 400.719 4.037 20 0 HIADMM Cc1cccc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1Cl ZINC000535851772 933435731 /nfs/dbraw/zinc/43/57/31/933435731.db2.gz PJYKCGTVLJQDKY-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)cc1 ZINC000536035879 933584001 /nfs/dbraw/zinc/58/40/01/933584001.db2.gz PAJNUTCJLTZEHC-UHFFFAOYSA-N -1 1 424.444 4.130 20 0 HIADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000536106427 933657704 /nfs/dbraw/zinc/65/77/04/933657704.db2.gz KQIUFKMVGWLVKJ-UHFFFAOYSA-N -1 1 420.441 4.017 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)cc1C ZINC000536108679 933659580 /nfs/dbraw/zinc/65/95/80/933659580.db2.gz NPATXDDAKJDMNL-UHFFFAOYSA-N -1 1 415.540 4.171 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)c(C)c3)cc2)CC1 ZINC000537345496 933727978 /nfs/dbraw/zinc/72/79/78/933727978.db2.gz OWPCJAPLSGACNJ-UHFFFAOYSA-N -1 1 413.417 4.019 20 0 HIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c(F)c1 ZINC000537441085 933776855 /nfs/dbraw/zinc/77/68/55/933776855.db2.gz QVRZJTYVYLMBCJ-UHFFFAOYSA-N -1 1 410.302 4.019 20 0 HIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(F)c(OC(F)F)cc3F)c2n1 ZINC000562491156 945089828 /nfs/dbraw/zinc/08/98/28/945089828.db2.gz VTVHVRCZTZODON-UHFFFAOYSA-N -1 1 400.353 4.224 20 0 HIADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 ZINC000562944384 945157541 /nfs/dbraw/zinc/15/75/41/945157541.db2.gz PYCKHMZKWRYSNB-UHFFFAOYSA-N -1 1 414.874 4.062 20 0 HIADMM Cc1ccc(-c2nc(S(=O)(=O)Cc3ncc(-c4ccc(Cl)cc4)o3)n[n-]2)cc1 ZINC000562944384 945157545 /nfs/dbraw/zinc/15/75/45/945157545.db2.gz PYCKHMZKWRYSNB-UHFFFAOYSA-N -1 1 414.874 4.062 20 0 HIADMM COCCC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000537594371 938330588 /nfs/dbraw/zinc/33/05/88/938330588.db2.gz SYYOLVZUPGVZDN-HNNXBMFYSA-N -1 1 424.950 4.450 20 0 HIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(Br)sc3Cl)ccc12 ZINC000537652616 938347526 /nfs/dbraw/zinc/34/75/26/938347526.db2.gz WLNWZKOMHULONJ-UHFFFAOYSA-N -1 1 406.714 4.150 20 0 HIADMM Cc1n[nH]c2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)ccc12 ZINC000537704674 938359991 /nfs/dbraw/zinc/35/99/91/938359991.db2.gz BGQRFURYAGIPEM-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CCCCc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000538048869 938482664 /nfs/dbraw/zinc/48/26/64/938482664.db2.gz SMFKPPQYRKCYTE-UHFFFAOYSA-N -1 1 420.506 4.141 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000538052532 938485526 /nfs/dbraw/zinc/48/55/26/938485526.db2.gz UPHXHUNZJSVRGA-RYUDHWBXSA-N -1 1 417.289 4.246 20 0 HIADMM COc1ccc(NC(=O)c2sc(C3CCCCC3)nc2C)cc1[N-]S(C)(=O)=O ZINC000538274352 938580694 /nfs/dbraw/zinc/58/06/94/938580694.db2.gz MYFODOIVFGOCAZ-UHFFFAOYSA-N -1 1 423.560 4.132 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCOc2c(Cl)cccc21)c1sccc1Br ZINC000538283495 938583231 /nfs/dbraw/zinc/58/32/31/938583231.db2.gz NCRDVMNZFBFILP-GFCCVEGCSA-N -1 1 422.753 4.356 20 0 HIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)ccc2[nH]1 ZINC000538498218 938636193 /nfs/dbraw/zinc/63/61/93/938636193.db2.gz NQGUZXLMSWUHQU-UHFFFAOYSA-N -1 1 416.502 4.463 20 0 HIADMM C[C@@H]1CC(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C[C@@H](C)O1 ZINC000538749681 938700777 /nfs/dbraw/zinc/70/07/77/938700777.db2.gz AIIDDCGNBQABCV-ZIAGYGMSSA-N -1 1 422.934 4.283 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccccc1F ZINC000538753302 938702718 /nfs/dbraw/zinc/70/27/18/938702718.db2.gz FMOYLGXRXPEIMK-UHFFFAOYSA-N -1 1 409.311 4.157 20 0 HIADMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)cc21 ZINC000538841716 938723463 /nfs/dbraw/zinc/72/34/63/938723463.db2.gz SLBUFMXESCJWIT-UHFFFAOYSA-N -1 1 411.483 4.052 20 0 HIADMM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)s1 ZINC000538843543 938723888 /nfs/dbraw/zinc/72/38/88/938723888.db2.gz MSFIZXPJKUIKBQ-UHFFFAOYSA-N -1 1 418.943 4.046 20 0 HIADMM C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC12CCC2 ZINC000538922798 938738215 /nfs/dbraw/zinc/73/82/15/938738215.db2.gz HWOCVLXSYXTZFS-MRXNPFEDSA-N -1 1 416.518 4.279 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000539153036 938812535 /nfs/dbraw/zinc/81/25/35/938812535.db2.gz IYLQSGPUZYAQLC-UHFFFAOYSA-N -1 1 410.776 4.122 20 0 HIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc4nc(-c5ccccn5)[nH]c4c3)c2n1 ZINC000539807882 938939121 /nfs/dbraw/zinc/93/91/21/938939121.db2.gz DAEVZQUONVGNSZ-UHFFFAOYSA-N -1 1 415.478 4.282 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3CC)cc2)cc1 ZINC000540116453 939078812 /nfs/dbraw/zinc/07/88/12/939078812.db2.gz JLOUHOLFAHTGTO-LPHOPBHVSA-N -1 1 416.543 4.289 20 0 HIADMM CCN(CC)[C@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1Cl ZINC000780372135 939112264 /nfs/dbraw/zinc/11/22/64/939112264.db2.gz BLAVYCQWOHUNJA-RTBURBONSA-N -1 1 409.958 4.056 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Br)c4ccccc34)cc2o1 ZINC000540213071 939130616 /nfs/dbraw/zinc/13/06/16/939130616.db2.gz IZDOTLZXQVVBRK-UHFFFAOYSA-N -1 1 419.256 4.250 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1 ZINC000540217165 939132530 /nfs/dbraw/zinc/13/25/30/939132530.db2.gz LZJSEUGSWZXHLE-UHFFFAOYSA-N -1 1 400.456 4.120 20 0 HIADMM O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)s1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540423282 939243016 /nfs/dbraw/zinc/24/30/16/939243016.db2.gz RAAFRINHKNCPIC-NSHDSACASA-N -1 1 408.314 4.255 20 0 HIADMM O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540425076 939244238 /nfs/dbraw/zinc/24/42/38/939244238.db2.gz SFUYNUXSKRFLTB-MRVPVSSYSA-N -1 1 415.828 4.106 20 0 HIADMM O=S(=O)([N-][C@H]1CCCOc2cc(Cl)ccc21)c1sccc1Br ZINC000540483948 939270231 /nfs/dbraw/zinc/27/02/31/939270231.db2.gz XOXWAXKRPBCPAN-LBPRGKRZSA-N -1 1 422.753 4.356 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540795680 939375538 /nfs/dbraw/zinc/37/55/38/939375538.db2.gz ZJJNGJPOBNMNFY-KBPBESRZSA-N -1 1 411.449 4.297 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cccc(F)c3)c(F)c2)cc1 ZINC000541291476 939489598 /nfs/dbraw/zinc/48/95/98/939489598.db2.gz VMSNUVGNIJMXDI-UHFFFAOYSA-N -1 1 416.449 4.415 20 0 HIADMM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000541488193 939533732 /nfs/dbraw/zinc/53/37/32/939533732.db2.gz AXJIXIZTJTZADE-OAHLLOKOSA-N -1 1 422.497 4.274 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000542171303 939743219 /nfs/dbraw/zinc/74/32/19/939743219.db2.gz PUBPGWDBHKRYJZ-UHFFFAOYSA-N -1 1 419.407 4.245 20 0 HIADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000542461318 939826627 /nfs/dbraw/zinc/82/66/27/939826627.db2.gz AXIVSPFVLPXCRY-UHFFFAOYSA-N -1 1 417.874 4.298 20 0 HIADMM CCC[C@@H]1CCCCN1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000542752099 939859000 /nfs/dbraw/zinc/85/90/00/939859000.db2.gz DFQZVAQKKGUQRU-LJQANCHMSA-N -1 1 415.559 4.352 20 0 HIADMM C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1C ZINC000542753725 939859152 /nfs/dbraw/zinc/85/91/52/939859152.db2.gz ZLNAMZUMFKSZTH-ZHALLVOQSA-N -1 1 415.559 4.111 20 0 HIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000542755746 939859203 /nfs/dbraw/zinc/85/92/03/939859203.db2.gz QKFUWDBAPVRGFU-OAHLLOKOSA-N -1 1 409.861 4.316 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccccc3-c3ccno3)cc2F)n1 ZINC000542937207 939881860 /nfs/dbraw/zinc/88/18/60/939881860.db2.gz ZJYZCQXGHAGEBN-UHFFFAOYSA-N -1 1 412.446 4.084 20 0 HIADMM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1F ZINC000542985794 939891493 /nfs/dbraw/zinc/89/14/93/939891493.db2.gz KHPOUFNOLZPSFX-UHFFFAOYSA-N -1 1 413.442 4.104 20 0 HIADMM CC(C)(C)[C@H]1CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000543300321 940021894 /nfs/dbraw/zinc/02/18/94/940021894.db2.gz UKKSXZHDDDJDHE-SFHVURJKSA-N -1 1 415.559 4.065 20 0 HIADMM CCN(CC(F)F)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000543564803 940111994 /nfs/dbraw/zinc/11/19/94/940111994.db2.gz USSXTJGKSIAOPL-UHFFFAOYSA-N -1 1 420.840 4.007 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1-c1ccc2c(c1)OCO2 ZINC000543691728 940161017 /nfs/dbraw/zinc/16/10/17/940161017.db2.gz LWJHPVNPLQHLAL-UHFFFAOYSA-N -1 1 407.451 4.068 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1 ZINC000543832699 940202436 /nfs/dbraw/zinc/20/24/36/940202436.db2.gz JYZNKYMBJIKFKL-HXOBKFHXSA-N -1 1 412.555 4.448 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)(C)C)c(F)c2)cc1 ZINC000543910682 940238988 /nfs/dbraw/zinc/23/89/88/940238988.db2.gz RFQYPWCFNAHAAI-UHFFFAOYSA-N -1 1 412.458 4.291 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[C@@H]2CCCC[C@H]21 ZINC000543918968 940245693 /nfs/dbraw/zinc/24/56/93/940245693.db2.gz SDZQXEJXAZCHRL-GQWLDOHISA-N -1 1 416.518 4.277 20 0 HIADMM CCC(C)(C)OCc1ccccc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000544575467 940482937 /nfs/dbraw/zinc/48/29/37/940482937.db2.gz AJNQRTOQJZDIFJ-UHFFFAOYSA-N -1 1 420.513 4.027 20 0 HIADMM CCN(CCC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000544867916 940520471 /nfs/dbraw/zinc/52/04/71/940520471.db2.gz OSHQFERWJKGYET-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000544893235 940522546 /nfs/dbraw/zinc/52/25/46/940522546.db2.gz XSBDXQUBWPVNIU-UHFFFAOYSA-N -1 1 424.482 4.090 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc(CC(F)(F)F)no2)cc1 ZINC000544948475 940527303 /nfs/dbraw/zinc/52/73/03/940527303.db2.gz CYFRQGDGFIHOFP-UHFFFAOYSA-N -1 1 417.796 4.296 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2cc(Cl)ccc2Cl)no1 ZINC000544985531 940531006 /nfs/dbraw/zinc/53/10/06/940531006.db2.gz WMMNYFPVKIGAPZ-SECBINFHSA-N -1 1 418.327 4.068 20 0 HIADMM C[C@H](c1noc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)n1)C1CC1 ZINC000545092730 940541741 /nfs/dbraw/zinc/54/17/41/940541741.db2.gz YRHOOPWOEUXYED-NSHDSACASA-N -1 1 405.426 4.329 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@@H]3CCCCS3)no2)cc1)c1ccccc1 ZINC000545101411 940542499 /nfs/dbraw/zinc/54/24/99/940542499.db2.gz KNYZOQGMIXOQNH-KRWDZBQOSA-N -1 1 401.513 4.496 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(COC3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000545138245 940548171 /nfs/dbraw/zinc/54/81/71/940548171.db2.gz MTLKJHFRTZMQNI-UHFFFAOYSA-N -1 1 419.905 4.070 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC3Cc4ccccc4C3)cc2)c1C ZINC000545141035 940548949 /nfs/dbraw/zinc/54/89/49/940548949.db2.gz BUKBJICFVUVFLT-UHFFFAOYSA-N -1 1 420.534 4.001 20 0 HIADMM CCOc1cc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc(Cl)c1[O-] ZINC000545169801 940553910 /nfs/dbraw/zinc/55/39/10/940553910.db2.gz LQHYQGTXRHFOPA-UHFFFAOYSA-N -1 1 420.868 4.074 20 0 HIADMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2C1 ZINC000545187308 940554764 /nfs/dbraw/zinc/55/47/64/940554764.db2.gz XPIGWWOQCOQWMN-UHFFFAOYSA-N -1 1 400.422 4.110 20 0 HIADMM CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(I)c([O-])c1 ZINC000545463095 940571016 /nfs/dbraw/zinc/57/10/16/940571016.db2.gz QYMAZACCFYEIRB-UHFFFAOYSA-N -1 1 419.621 4.062 20 0 HIADMM Cc1cnc(-c2cccc(NC(=O)c3ccc(I)c([O-])c3)c2)o1 ZINC000545484699 940571756 /nfs/dbraw/zinc/57/17/56/940571756.db2.gz JQVJOOGQAKJGQN-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(CC(F)(F)F)no3)ccc2C)c1 ZINC000545565620 940574923 /nfs/dbraw/zinc/57/49/23/940574923.db2.gz NAHIKTKNAXQTQH-UHFFFAOYSA-N -1 1 411.405 4.259 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(Cc4ccncc4)no3)c2)c1 ZINC000545597824 940576640 /nfs/dbraw/zinc/57/66/40/940576640.db2.gz UOFTWRFOGILJPM-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM CCS[C@@H](C)c1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000545781727 940589154 /nfs/dbraw/zinc/58/91/54/940589154.db2.gz TUCWPJROTGDKHJ-ZDUSSCGKSA-N -1 1 421.519 4.414 20 0 HIADMM CCS[C@H](C)c1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000545781726 940589408 /nfs/dbraw/zinc/58/94/08/940589408.db2.gz TUCWPJROTGDKHJ-CYBMUJFWSA-N -1 1 421.519 4.414 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(OCCCC(=O)OC)cc2)cc(Cl)c1[O-] ZINC000545854042 940637705 /nfs/dbraw/zinc/63/77/05/940637705.db2.gz NJFOPYAWUNCYTF-UHFFFAOYSA-N -1 1 407.850 4.029 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc(Cl)c1[O-] ZINC000545856208 940639178 /nfs/dbraw/zinc/63/91/78/940639178.db2.gz BYMKYQAFEURULD-AWEZNQCLSA-N -1 1 408.857 4.427 20 0 HIADMM CCc1nnc(C)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000546078522 940692541 /nfs/dbraw/zinc/69/25/41/940692541.db2.gz TYCNQSMCAXHBPQ-UHFFFAOYSA-N -1 1 424.526 4.017 20 0 HIADMM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000546168793 940720392 /nfs/dbraw/zinc/72/03/92/940720392.db2.gz PESBBQWHYHOXNV-UHFFFAOYSA-N -1 1 422.266 4.158 20 0 HIADMM CCCOc1cc(F)ccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000546168095 940720568 /nfs/dbraw/zinc/72/05/68/940720568.db2.gz WPULWPHSUBNXLJ-UHFFFAOYSA-N -1 1 415.202 4.177 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)[C@H](c2ccco2)C1 ZINC000546201124 940727870 /nfs/dbraw/zinc/72/78/70/940727870.db2.gz RIRMGDUUPKYKNO-RISCZKNCSA-N -1 1 411.239 4.203 20 0 HIADMM CCN(CCC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000546212888 940731200 /nfs/dbraw/zinc/73/12/00/940731200.db2.gz FVHYJDCOFQGDJH-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc(-c2ccccn2)no1 ZINC000546258270 940751277 /nfs/dbraw/zinc/75/12/77/940751277.db2.gz BGRQQNJJLCQITR-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000546286371 940765088 /nfs/dbraw/zinc/76/50/88/940765088.db2.gz NMNWHIVYTOFLFD-UHFFFAOYSA-N -1 1 413.359 4.212 20 0 HIADMM Cc1cc(C)c(Cc2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c(C)c1 ZINC000546313612 940778676 /nfs/dbraw/zinc/77/86/76/940778676.db2.gz JXGKQLJSTDGJMX-UHFFFAOYSA-N -1 1 401.470 4.042 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1)c1cccs1 ZINC000546451407 940823422 /nfs/dbraw/zinc/82/34/22/940823422.db2.gz BTFQEIWSRUANDK-UHFFFAOYSA-N -1 1 423.479 4.142 20 0 HIADMM COC1(c2noc(-c3cc(S(=O)(=O)[N-]c4ccc(F)cc4)ccc3C)n2)CCC1 ZINC000546515740 940840495 /nfs/dbraw/zinc/84/04/95/940840495.db2.gz KWRRLNITMCVVPO-UHFFFAOYSA-N -1 1 417.462 4.011 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(Br)c(F)c2)cc(Cl)c1[O-] ZINC000546561029 940853626 /nfs/dbraw/zinc/85/36/26/940853626.db2.gz ZSKWCNVANPNSGJ-UHFFFAOYSA-N -1 1 402.647 4.276 20 0 HIADMM CCOc1cc(C(=O)NCc2nccn2CCCc2ccccc2)cc(Cl)c1[O-] ZINC000546563380 940854225 /nfs/dbraw/zinc/85/42/25/940854225.db2.gz DYMMSRDWOWJAFB-UHFFFAOYSA-N -1 1 413.905 4.204 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc(Cl)c1[O-] ZINC000546584582 940858276 /nfs/dbraw/zinc/85/82/76/940858276.db2.gz SDJXBHLMLTWJIF-INIZCTEOSA-N -1 1 403.862 4.193 20 0 HIADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Cl)c3ccccc32)cc1 ZINC000546609960 940860668 /nfs/dbraw/zinc/86/06/68/940860668.db2.gz QDQWIPHVFIENES-UHFFFAOYSA-N -1 1 403.887 4.318 20 0 HIADMM CC(C)n1ncc2ccc(NC(=O)c3ccc(I)c([O-])c3)cc21 ZINC000546875219 940899545 /nfs/dbraw/zinc/89/95/45/940899545.db2.gz VKPOPGOJVUQNDP-UHFFFAOYSA-N -1 1 421.238 4.180 20 0 HIADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000546909258 940910225 /nfs/dbraw/zinc/91/02/25/940910225.db2.gz CXYAHJNZCAMPJG-HNNXBMFYSA-N -1 1 409.267 4.090 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ncccc4C)no3)c2)cc1 ZINC000547023233 940961428 /nfs/dbraw/zinc/96/14/28/940961428.db2.gz MRQCTGWRKDYGMJ-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM CC(C)(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000564052821 945363808 /nfs/dbraw/zinc/36/38/08/945363808.db2.gz OHZYYXYHZZCLPC-UHFFFAOYSA-N -1 1 417.499 4.138 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc([C@H]3CCCCS3)no2)c1)c1ccccc1 ZINC000547222452 941036781 /nfs/dbraw/zinc/03/67/81/941036781.db2.gz MTHCMTCSVDENDC-QGZVFWFLSA-N -1 1 401.513 4.496 20 0 HIADMM CCOc1cc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000547268591 941048999 /nfs/dbraw/zinc/04/89/99/941048999.db2.gz YNLDOTUXWQFLNV-UHFFFAOYSA-N -1 1 405.722 4.401 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ncoc1C1CC1 ZINC000549260177 941174800 /nfs/dbraw/zinc/17/48/00/941174800.db2.gz FCGNRGVMDUMAQC-UHFFFAOYSA-N -1 1 417.874 4.259 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc2c(c1)CCCC2=O ZINC000549767385 941206952 /nfs/dbraw/zinc/20/69/52/941206952.db2.gz JXHJDYVGIZKIKP-UHFFFAOYSA-N -1 1 420.490 4.259 20 0 HIADMM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000551171230 941421599 /nfs/dbraw/zinc/42/15/99/941421599.db2.gz FWORBCRLMWEYGP-HSZRJFAPSA-N -1 1 405.994 4.378 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1cc(Cl)ccc1F ZINC000551468092 941485654 /nfs/dbraw/zinc/48/56/54/941485654.db2.gz UUBKKGDBIMNPNU-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552026111 941569741 /nfs/dbraw/zinc/56/97/41/941569741.db2.gz ZGJADRQIWNPTAF-UHFFFAOYSA-N -1 1 414.731 4.459 20 0 HIADMM COC(=O)CC1(CC(=O)Nc2c([O-])cc(Br)cc2Cl)CCCC1 ZINC000552022704 941569884 /nfs/dbraw/zinc/56/98/84/941569884.db2.gz JKHKSSPAIKNTDA-UHFFFAOYSA-N -1 1 404.688 4.260 20 0 HIADMM CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1 ZINC000552599092 941718579 /nfs/dbraw/zinc/71/85/79/941718579.db2.gz YLYNKTIPUKXJQN-UHFFFAOYSA-N -1 1 413.481 4.062 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000553010843 941815415 /nfs/dbraw/zinc/81/54/15/941815415.db2.gz BOUZBKDRWZBDIT-VXGBXAGGSA-N -1 1 417.289 4.246 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)cc1 ZINC000553070799 941828035 /nfs/dbraw/zinc/82/80/35/941828035.db2.gz DHEFRULKLYNZHW-OAQYLSRUSA-N -1 1 412.555 4.447 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000553331679 941868563 /nfs/dbraw/zinc/86/85/63/941868563.db2.gz RSKFBQADQVCFTD-IERDGZPVSA-N -1 1 402.498 4.095 20 0 HIADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1ccc(Cl)cc1Cl ZINC000553523810 941902199 /nfs/dbraw/zinc/90/21/99/941902199.db2.gz MFKQUYVIGGEVMK-AWEZNQCLSA-N -1 1 424.252 4.124 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000553564659 941910182 /nfs/dbraw/zinc/91/01/82/941910182.db2.gz ZCGIIJWODVVTQA-LJQANCHMSA-N -1 1 414.937 4.194 20 0 HIADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccc(-c2nc(C3CC3)no2)c1 ZINC000554084598 942033278 /nfs/dbraw/zinc/03/32/78/942033278.db2.gz JDCOETZTEOBUHJ-UHFFFAOYSA-N -1 1 409.389 4.434 20 0 HIADMM Cc1cccc(-c2cnc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)s2)c1 ZINC000554105639 942037374 /nfs/dbraw/zinc/03/73/74/942037374.db2.gz ASJIYBZKZZFOJK-UHFFFAOYSA-N -1 1 417.494 4.166 20 0 HIADMM CSC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000554276148 942087968 /nfs/dbraw/zinc/08/79/68/942087968.db2.gz KCRPUTIGUCWOGZ-KRWDZBQOSA-N -1 1 418.584 4.011 20 0 HIADMM O=C(Nc1ccc(C2CCC2)cn1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000554648765 942186463 /nfs/dbraw/zinc/18/64/63/942186463.db2.gz VYLJEJRNXUXKMZ-UHFFFAOYSA-N -1 1 407.495 4.402 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(-c4cccc(F)c4)c(F)c3)ccc2[nH]1 ZINC000554726690 942213023 /nfs/dbraw/zinc/21/30/23/942213023.db2.gz WKOVZDPBOFIMIA-UHFFFAOYSA-N -1 1 412.417 4.274 20 0 HIADMM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccccc1)c1c(Cl)cc(Cl)cc1Cl ZINC000554919556 942319663 /nfs/dbraw/zinc/31/96/63/942319663.db2.gz KBTWSJVLFFLONL-GUYCJALGSA-N -1 1 420.745 4.091 20 0 HIADMM O=C(Nc1ccc(-c2nnco2)cc1)c1c([O-])cnc2c(Br)cccc21 ZINC000554976559 942340505 /nfs/dbraw/zinc/34/05/05/942340505.db2.gz RUTZRYVBBTUQRM-UHFFFAOYSA-N -1 1 411.215 4.005 20 0 HIADMM O=C([O-])[C@@H](NCc1ccc(OCC(F)F)cc1)c1ccccc1Br ZINC000555614971 942672257 /nfs/dbraw/zinc/67/22/57/942672257.db2.gz AMGIMVSOKHPOES-INIZCTEOSA-N -1 1 400.219 4.009 20 0 HIADMM O=C(NC1(C(F)F)CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000557454039 943136510 /nfs/dbraw/zinc/13/65/10/943136510.db2.gz LSJWEIWJXBMSKO-UHFFFAOYSA-N -1 1 408.470 4.185 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2Cn2cccc(C)c2=O)c(C)c1 ZINC000558029562 943361869 /nfs/dbraw/zinc/36/18/69/943361869.db2.gz SRUHQXQRZSKVNU-UHFFFAOYSA-N -1 1 414.502 4.070 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)n1 ZINC000558519293 943586268 /nfs/dbraw/zinc/58/62/68/943586268.db2.gz LGCKDTSHGIIIBT-FQEVSTJZSA-N -1 1 401.488 4.117 20 0 HIADMM CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cncc([O-])c2)ccc1Cl ZINC000559491240 943980627 /nfs/dbraw/zinc/98/06/27/943980627.db2.gz XTBBEKVEPUFGCO-UHFFFAOYSA-N -1 1 409.873 4.355 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ncc(C(F)(F)F)[nH]3)cc2s1 ZINC000559841113 944064011 /nfs/dbraw/zinc/06/40/11/944064011.db2.gz HJWXCDRTYZJWBS-UHFFFAOYSA-N -1 1 404.439 4.137 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000560356407 944228190 /nfs/dbraw/zinc/22/81/90/944228190.db2.gz XAROLMBADNOIMC-NRFANRHFSA-N -1 1 415.515 4.426 20 0 HIADMM CCOc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc(Cl)c1[O-] ZINC000561180213 944502946 /nfs/dbraw/zinc/50/29/46/944502946.db2.gz MJUJUGHLSPPZIA-LMMKCTJWSA-N -1 1 401.890 4.089 20 0 HIADMM O=C(Nc1ccc2c(c1)COC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000561436743 944597405 /nfs/dbraw/zinc/59/74/05/944597405.db2.gz GBKKUJULUBDEFF-UHFFFAOYSA-N -1 1 419.662 4.227 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3nc[nH]c3c2)ccc1F ZINC000561500156 944638739 /nfs/dbraw/zinc/63/87/39/944638739.db2.gz DTLZWWJKXRVDGX-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM C[C@H](Cc1ccccc1)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000561580148 944686514 /nfs/dbraw/zinc/68/65/14/944686514.db2.gz QINFAWMZUGCOOC-LJQANCHMSA-N -1 1 422.550 4.325 20 0 HIADMM CCCc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cnn1-c1ccc(F)cc1 ZINC000561667604 944737827 /nfs/dbraw/zinc/73/78/27/944737827.db2.gz BSPBPSJHUGMXPK-UHFFFAOYSA-N -1 1 405.433 4.312 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc(Br)cc2cccnc21 ZINC000561694247 944750160 /nfs/dbraw/zinc/75/01/60/944750160.db2.gz RMYUWLAFBPBCEV-UHFFFAOYSA-N -1 1 417.206 4.215 20 0 HIADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000562164285 944991441 /nfs/dbraw/zinc/99/14/41/944991441.db2.gz RKUKXUSSYKDFKQ-NEPJUHHUSA-N -1 1 409.349 4.449 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC=C(C(F)(F)F)CC1 ZINC000564510991 945638901 /nfs/dbraw/zinc/63/89/01/945638901.db2.gz TVXHKIQYMGSSOF-UHFFFAOYSA-N -1 1 401.182 4.038 20 0 HIADMM CCCc1nc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4cccc(C)c4)c3)n2)co1 ZINC000565389893 945822747 /nfs/dbraw/zinc/82/27/47/945822747.db2.gz HUFIUNCOBBUWGC-UHFFFAOYSA-N -1 1 424.482 4.453 20 0 HIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1nc(-c2cccs2)cs1 ZINC000565449433 945832528 /nfs/dbraw/zinc/83/25/28/945832528.db2.gz JMMUHWNPHNTJJT-UHFFFAOYSA-N -1 1 400.457 4.036 20 0 HIADMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC000565737746 945875455 /nfs/dbraw/zinc/87/54/55/945875455.db2.gz OZCUERLNAOIMCY-UHFFFAOYSA-N -1 1 408.479 4.479 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(Cc4cccnc4)no3)ccc2C)c1 ZINC000565789709 945882518 /nfs/dbraw/zinc/88/25/18/945882518.db2.gz YICUPBDTEYZWOC-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM CCCc1nc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)n2)co1 ZINC000565859484 945896999 /nfs/dbraw/zinc/89/69/99/945896999.db2.gz DSWIDZYRVDVCSC-UHFFFAOYSA-N -1 1 424.482 4.453 20 0 HIADMM COc1ccc(C2(CNC(=O)c3c(F)ccc([O-])c3F)CCCCC2)cc1OC ZINC000565919642 945923370 /nfs/dbraw/zinc/92/33/70/945923370.db2.gz NFFIQUGQQXZOCO-UHFFFAOYSA-N -1 1 405.441 4.320 20 0 HIADMM O=c1cc(C(F)F)nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[n-]1 ZINC000566589596 946050105 /nfs/dbraw/zinc/05/01/05/946050105.db2.gz GESUOGKKJZJHSE-UHFFFAOYSA-N -1 1 404.320 4.481 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1N1CCCCC1)c1ccc2ncccc2c1 ZINC000567038344 946225603 /nfs/dbraw/zinc/22/56/03/946225603.db2.gz IAOSXNXDBSTBJD-UHFFFAOYSA-N -1 1 403.454 4.304 20 0 HIADMM O=S(=O)([N-]C1(c2ccccc2)CCOCC1)c1c(Cl)cc(F)cc1Cl ZINC000567211521 946273892 /nfs/dbraw/zinc/27/38/92/946273892.db2.gz JGHHPAXDROHWJZ-UHFFFAOYSA-N -1 1 404.290 4.117 20 0 HIADMM CC(C)[C@@H](c1noc(C[N-]S(=O)(=O)c2cccs2)n1)c1ccc(Cl)cc1 ZINC000567428077 946336588 /nfs/dbraw/zinc/33/65/88/946336588.db2.gz PWCHEGNUVDYBFJ-MRXNPFEDSA-N -1 1 411.936 4.051 20 0 HIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(-c4ccccc4)c3)cc3c2N1CCC3 ZINC000568672343 946646792 /nfs/dbraw/zinc/64/67/92/946646792.db2.gz HPZGLGMMDUWOIN-UHFFFAOYSA-N -1 1 418.518 4.380 20 0 HIADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000568735763 946674338 /nfs/dbraw/zinc/67/43/38/946674338.db2.gz DWNJDMVJJYZLRT-OLZOCXBDSA-N -1 1 410.898 4.150 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1I ZINC000570503670 947270550 /nfs/dbraw/zinc/27/05/50/947270550.db2.gz KMRFBXLILQGNMV-UHFFFAOYSA-N -1 1 423.222 4.338 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)ccn1 ZINC000570637640 947320534 /nfs/dbraw/zinc/32/05/34/947320534.db2.gz BNRSFEWLUKQQND-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(COCc3ccccc3)no2)c1)c1ccccc1 ZINC000571097769 947495575 /nfs/dbraw/zinc/49/55/75/947495575.db2.gz YFNSJHFMNQCFPT-UHFFFAOYSA-N -1 1 421.478 4.254 20 0 HIADMM CCOC(=O)c1sc(NC(=O)c2c(F)ccc([O-])c2F)nc1-c1ccccc1 ZINC000571961228 947822650 /nfs/dbraw/zinc/82/26/50/947822650.db2.gz WRWCUFUYPWCJTP-UHFFFAOYSA-N -1 1 404.394 4.223 20 0 HIADMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000572350110 947888365 /nfs/dbraw/zinc/88/83/65/947888365.db2.gz QBELYDWXDDFBKX-UHFFFAOYSA-N -1 1 409.463 4.492 20 0 HIADMM Cn1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)n2)c1 ZINC000572407018 947896814 /nfs/dbraw/zinc/89/68/14/947896814.db2.gz ZQOSIXWETOPAMS-UHFFFAOYSA-N -1 1 414.874 4.196 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000573146095 948090269 /nfs/dbraw/zinc/09/02/69/948090269.db2.gz LJBXYBIQUPXANA-UHFFFAOYSA-N -1 1 409.891 4.329 20 0 HIADMM COc1ccc(NC(=O)c2ccc(C(C)(C)C)c(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000573552960 948238604 /nfs/dbraw/zinc/23/86/04/948238604.db2.gz MVZRQZZTLMYRLA-UHFFFAOYSA-N -1 1 410.923 4.270 20 0 HIADMM O=C([O-])C[C@H](NCc1cnn(Cc2ccccc2)c1)c1cccc(C(F)(F)F)c1 ZINC000573629514 948257309 /nfs/dbraw/zinc/25/73/09/948257309.db2.gz CSPSOKYILLKFKC-IBGZPJMESA-N -1 1 403.404 4.256 20 0 HIADMM CC1(C2CC2)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000573650974 948266844 /nfs/dbraw/zinc/26/68/44/948266844.db2.gz MWRHOQGSZNLPSS-UHFFFAOYSA-N -1 1 416.518 4.279 20 0 HIADMM CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)F)cc1C(=O)[O-] ZINC000573716952 948281516 /nfs/dbraw/zinc/28/15/16/948281516.db2.gz NMTYLCFCXQJYLP-UHFFFAOYSA-N -1 1 419.833 4.045 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000573767703 948294280 /nfs/dbraw/zinc/29/42/80/948294280.db2.gz ZTBWTYMWZLDZAD-HXUWFJFHSA-N -1 1 411.527 4.284 20 0 HIADMM O=S(=O)([N-]Cc1ncc(-c2ccccc2)o1)c1c(Cl)cc(F)cc1Cl ZINC000574022908 948350473 /nfs/dbraw/zinc/35/04/73/948350473.db2.gz KHUOZOAVUJHWRZ-UHFFFAOYSA-N -1 1 401.246 4.266 20 0 HIADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000574715544 948510294 /nfs/dbraw/zinc/51/02/94/948510294.db2.gz BGMOMKINFMYDOZ-LJQANCHMSA-N -1 1 422.506 4.244 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1 ZINC000575035307 948581181 /nfs/dbraw/zinc/58/11/81/948581181.db2.gz ZZCHDWLAKIISGU-UHFFFAOYSA-N -1 1 404.875 4.475 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c[nH]c(-c2ccccc2)n1 ZINC000575835237 948732018 /nfs/dbraw/zinc/73/20/18/948732018.db2.gz XKVKZBLVSBAWAV-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(-c3nccc(C)n3)c2)c1 ZINC000436000000 861285945 /nfs/dbraw/zinc/28/59/45/861285945.db2.gz ASRBSPWLCXILMT-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1ccc(C(F)(F)F)cc1F ZINC000436010322 861300865 /nfs/dbraw/zinc/30/08/65/861300865.db2.gz XPZHBKZOSFHNNY-UHFFFAOYSA-N -1 1 411.760 4.070 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1Br ZINC000436017561 861309823 /nfs/dbraw/zinc/30/98/23/861309823.db2.gz ARFXSUBYDOGWTR-UHFFFAOYSA-N -1 1 411.321 4.332 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000436023676 861318236 /nfs/dbraw/zinc/31/82/36/861318236.db2.gz GRGVDXXYNQAVRK-UHFFFAOYSA-N -1 1 414.508 4.101 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000436144655 861441948 /nfs/dbraw/zinc/44/19/48/861441948.db2.gz CXJVDCSXXPWUBT-UHFFFAOYSA-N -1 1 406.242 4.234 20 0 HIADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)c(F)c1 ZINC000436151530 861451224 /nfs/dbraw/zinc/45/12/24/861451224.db2.gz IHYBJPUBYSYFQA-UHFFFAOYSA-N -1 1 418.849 4.165 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1Br ZINC000436160003 861459284 /nfs/dbraw/zinc/45/92/84/861459284.db2.gz JSDNIHJMYQODGS-UHFFFAOYSA-N -1 1 409.305 4.438 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)cc1Cl ZINC000436174125 861477268 /nfs/dbraw/zinc/47/72/68/861477268.db2.gz DHFVULWCHWPULZ-UHFFFAOYSA-N -1 1 402.697 4.414 20 0 HIADMM O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)[N-]C(=O)c1ccccc1 ZINC000003476626 845025081 /nfs/dbraw/zinc/02/50/81/845025081.db2.gz CUUQBJLISUMECV-UHFFFAOYSA-N -1 1 423.852 4.032 20 0 HIADMM CC(C)(C)c1csc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000005184622 845087466 /nfs/dbraw/zinc/08/74/66/845087466.db2.gz UCTHETZRAGAWKE-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000007180356 845273817 /nfs/dbraw/zinc/27/38/17/845273817.db2.gz NHGBWOTUXIUYMN-AWEZNQCLSA-N -1 1 415.902 4.027 20 0 HIADMM Cc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)cc1 ZINC000007227455 845289313 /nfs/dbraw/zinc/28/93/13/845289313.db2.gz RGAKOLATWKIVPZ-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000436248140 861557839 /nfs/dbraw/zinc/55/78/39/861557839.db2.gz AZDLVURMDGMWHD-UHFFFAOYSA-N -1 1 402.476 4.053 20 0 HIADMM Cc1ccsc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000007898164 845443127 /nfs/dbraw/zinc/44/31/27/845443127.db2.gz VZNXEBUERMYEEQ-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000008033263 845464823 /nfs/dbraw/zinc/46/48/23/845464823.db2.gz XWHACWJDSGPXAM-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM O=C(NC1CCCC1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000008082035 845472155 /nfs/dbraw/zinc/47/21/55/845472155.db2.gz QONOGUWKKDSDKD-UHFFFAOYSA-N -1 1 413.326 4.467 20 0 HIADMM O=C(NOCc1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000008096814 845474590 /nfs/dbraw/zinc/47/45/90/845474590.db2.gz XZJDXXWTYSUISL-UHFFFAOYSA-N -1 1 416.886 4.002 20 0 HIADMM O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)N1CCCCC1 ZINC000008181109 845488212 /nfs/dbraw/zinc/48/82/12/845488212.db2.gz CBBSIZWRRNCNHV-UHFFFAOYSA-N -1 1 413.326 4.420 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccccc3)c2)c1 ZINC000008201694 845491553 /nfs/dbraw/zinc/49/15/53/845491553.db2.gz BMMWETGRUOMNHX-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000008286924 845507025 /nfs/dbraw/zinc/50/70/25/845507025.db2.gz JVMLMPGAOVZKFY-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nc2sc(C)c(C)c2c1=O ZINC000009357855 845567130 /nfs/dbraw/zinc/56/71/30/845567130.db2.gz ATEPNJUJQREOHN-UHFFFAOYSA-N -1 1 414.508 4.199 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000009896623 845600730 /nfs/dbraw/zinc/60/07/30/845600730.db2.gz VQPCVKBNVUZIOO-JOCHJYFZSA-N -1 1 406.507 4.465 20 0 HIADMM Cc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)s1 ZINC000010625580 845682168 /nfs/dbraw/zinc/68/21/68/845682168.db2.gz HSAFCHSWKFGUKA-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM COc1ccc2cc(CNC(=O)Cn3c(=S)[n-]nc3-c3cccc(C)c3)ccc2c1 ZINC000011125821 845757433 /nfs/dbraw/zinc/75/74/33/845757433.db2.gz USTVCZTYWUKFAR-UHFFFAOYSA-N -1 1 418.522 4.394 20 0 HIADMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000013059715 845904133 /nfs/dbraw/zinc/90/41/33/845904133.db2.gz FLCXSZUHIWHONY-UHFFFAOYSA-N -1 1 410.476 4.462 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCCCc2ccccc21 ZINC000013757952 845918200 /nfs/dbraw/zinc/91/82/00/845918200.db2.gz QWHBAJNGGMBLJL-UHFFFAOYSA-N -1 1 406.507 4.471 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000015340172 846036723 /nfs/dbraw/zinc/03/67/23/846036723.db2.gz YRNGSJWLJHAZMA-INIZCTEOSA-N -1 1 412.486 4.426 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000015340126 846037003 /nfs/dbraw/zinc/03/70/03/846037003.db2.gz GYUQJIOXBYYHQA-QGZVFWFLSA-N -1 1 424.522 4.377 20 0 HIADMM COc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000015352642 846038685 /nfs/dbraw/zinc/03/86/85/846038685.db2.gz DRKIBKQAICKFOD-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015352492 846039434 /nfs/dbraw/zinc/03/94/34/846039434.db2.gz SERUWYDAAXMATA-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000015383507 846043445 /nfs/dbraw/zinc/04/34/45/846043445.db2.gz DASAUAIVNKOIFX-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000015414863 846046423 /nfs/dbraw/zinc/04/64/23/846046423.db2.gz KEWCDTHCPROEPD-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3F)cc2)cc1 ZINC000015422178 846047591 /nfs/dbraw/zinc/04/75/91/846047591.db2.gz LVHOUSCSQHXLKI-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000015433981 846048595 /nfs/dbraw/zinc/04/85/95/846048595.db2.gz HVNJMSHXKCOUHX-KBPBESRZSA-N -1 1 424.925 4.398 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000015439450 846049235 /nfs/dbraw/zinc/04/92/35/846049235.db2.gz DPGBYBVMDJVGPE-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C)ccc3F)cc2)cc1 ZINC000015542084 846061510 /nfs/dbraw/zinc/06/15/10/846061510.db2.gz DIBMUADKTUKEIB-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COc1ccc(C)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000015614715 846073398 /nfs/dbraw/zinc/07/33/98/846073398.db2.gz HOBMDICYNVUPFC-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(Cc1ccc(F)cc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015744194 846088640 /nfs/dbraw/zinc/08/86/40/846088640.db2.gz MDWNEMTVHWNSTB-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3n[nH]c4ccccc43)ccc2C)c1 ZINC000015950467 846104157 /nfs/dbraw/zinc/10/41/57/846104157.db2.gz JAGVEQFSPXPMRM-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1cc(F)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000015975936 846105987 /nfs/dbraw/zinc/10/59/87/846105987.db2.gz GNNOXGRZHNMJOJ-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCCC ZINC000016096012 846123822 /nfs/dbraw/zinc/12/38/22/846123822.db2.gz ZBQKHBYEEVHEPB-UHFFFAOYSA-N -1 1 409.504 4.082 20 0 HIADMM COc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)c1 ZINC000016505660 846179729 /nfs/dbraw/zinc/17/97/29/846179729.db2.gz ICXCVGMXTNQLTF-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)ccc1F ZINC000436340021 861649121 /nfs/dbraw/zinc/64/91/21/861649121.db2.gz UFDYQUHXXKWREN-ZBFHGGJFSA-N -1 1 404.507 4.196 20 0 HIADMM COc1ccccc1-n1c(SCC(=O)c2ccc([O-])cc2)nc2ccccc2c1=O ZINC000016762050 846207326 /nfs/dbraw/zinc/20/73/26/846207326.db2.gz QDRWCJWMMCFWJJ-UHFFFAOYSA-N -1 1 418.474 4.075 20 0 HIADMM C[C@H](c1nnc(SCC(=O)c2ccc([O-])cc2)n1-c1ccc(Cl)cc1)N(C)C ZINC000016927761 846220514 /nfs/dbraw/zinc/22/05/14/846220514.db2.gz VPIKRAACTBWQIK-CYBMUJFWSA-N -1 1 416.934 4.224 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000017167485 846235355 /nfs/dbraw/zinc/23/53/55/846235355.db2.gz RFRLWGVNQJWWFC-IRXDYDNUSA-N -1 1 416.543 4.004 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2ccc(C(C)C)cc2)cc1 ZINC000018011145 846283563 /nfs/dbraw/zinc/28/35/63/846283563.db2.gz WRWVVXLWRSIOSF-UHFFFAOYSA-N -1 1 424.570 4.489 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3C)c2)cc1 ZINC000018081524 846292946 /nfs/dbraw/zinc/29/29/46/846292946.db2.gz YCPIMWBVQPJCBE-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM CN(Cc1cccc(F)c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000018081227 846293006 /nfs/dbraw/zinc/29/30/06/846293006.db2.gz MNCPUOHYWSIJFX-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000018084059 846293276 /nfs/dbraw/zinc/29/32/76/846293276.db2.gz YXTHJMPWPGUZKO-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000018107057 846295886 /nfs/dbraw/zinc/29/58/86/846295886.db2.gz MOJRKQWVTVFUSE-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000018105826 846296719 /nfs/dbraw/zinc/29/67/19/846296719.db2.gz XCYAUYDJLLATAY-UHFFFAOYSA-N -1 1 416.934 4.019 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCSCc2ccccc2F)cc1 ZINC000018160741 846304552 /nfs/dbraw/zinc/30/45/52/846304552.db2.gz PCEDYOQZIXJHDR-UHFFFAOYSA-N -1 1 416.547 4.105 20 0 HIADMM CN(Cc1ccsc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000018217008 846311169 /nfs/dbraw/zinc/31/11/69/846311169.db2.gz AECYIYNTWIVBFL-UHFFFAOYSA-N -1 1 420.943 4.475 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)cc2)c1C ZINC000436348662 861665777 /nfs/dbraw/zinc/66/57/77/861665777.db2.gz AKRKMDYXOYVRCW-RDJZCZTQSA-N -1 1 400.544 4.365 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3ccc4ccccc4c3)s2)cc1 ZINC000021863881 846504236 /nfs/dbraw/zinc/50/42/36/846504236.db2.gz YLPZQARBXWGCSG-IBGZPJMESA-N -1 1 405.479 4.287 20 0 HIADMM CC(C)n1nccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000022290284 846554256 /nfs/dbraw/zinc/55/42/56/846554256.db2.gz DJSWAKBNVVPYOD-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM Cc1cc(F)ccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000023970887 846765099 /nfs/dbraw/zinc/76/50/99/846765099.db2.gz JPYKXKUMOUEUSN-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM COc1ccc([C@@H](C)NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)cc1F ZINC000024079031 846785688 /nfs/dbraw/zinc/78/56/88/846785688.db2.gz KGDNGEANSFPNMF-CQSZACIVSA-N -1 1 414.506 4.331 20 0 HIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000024432304 846823150 /nfs/dbraw/zinc/82/31/50/846823150.db2.gz HGCLAMMZFMPCHN-UHFFFAOYSA-N -1 1 411.321 4.235 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)ccc1Br ZINC000024956816 846895876 /nfs/dbraw/zinc/89/58/76/846895876.db2.gz IPPUJUVXQCBMCQ-UHFFFAOYSA-N -1 1 423.332 4.075 20 0 HIADMM COCc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000025335283 846963215 /nfs/dbraw/zinc/96/32/15/846963215.db2.gz UDAINFBFINPTEM-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM CCCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000025347239 846963963 /nfs/dbraw/zinc/96/39/63/846963963.db2.gz KDHPXXCONOYEOP-MRXNPFEDSA-N -1 1 404.532 4.195 20 0 HIADMM CC1CCC(N(C)C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000025625464 847009442 /nfs/dbraw/zinc/00/94/42/847009442.db2.gz OLDAHYSSJIKJOC-UHFFFAOYSA-N -1 1 418.534 4.206 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000025812474 847040918 /nfs/dbraw/zinc/04/09/18/847040918.db2.gz OUFAKTJNJFHIHM-GOSISDBHSA-N -1 1 417.531 4.252 20 0 HIADMM CC(C)c1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c2cnn(C(C)C)c2n1 ZINC000025929101 847059023 /nfs/dbraw/zinc/05/90/23/847059023.db2.gz MLTAENWCROCFPY-UHFFFAOYSA-N -1 1 421.453 4.305 20 0 HIADMM O=C(NCC1CCC1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000026146909 847096020 /nfs/dbraw/zinc/09/60/20/847096020.db2.gz RXOQTHITIDNNQF-UHFFFAOYSA-N -1 1 413.326 4.324 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2)cc1 ZINC000026749358 847193350 /nfs/dbraw/zinc/19/33/50/847193350.db2.gz NKRQNQXRFYZPIR-IERDGZPVSA-N -1 1 416.543 4.195 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc3c[nH]nc32)c1 ZINC000026918148 847221915 /nfs/dbraw/zinc/22/19/15/847221915.db2.gz DJZDSSWIJCSJFS-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000026982430 847230998 /nfs/dbraw/zinc/23/09/98/847230998.db2.gz RQCDFAKMRPCQNC-UHFFFAOYSA-N -1 1 420.441 4.246 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000026988784 847231703 /nfs/dbraw/zinc/23/17/03/847231703.db2.gz SFZJJIRLHYCADI-MRXNPFEDSA-N -1 1 412.486 4.426 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000027155167 847257598 /nfs/dbraw/zinc/25/75/98/847257598.db2.gz PYRJKHLJIBJNFU-SFHVURJKSA-N -1 1 400.544 4.366 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)C(C)C)c2)cc1 ZINC000027231832 847270214 /nfs/dbraw/zinc/27/02/14/847270214.db2.gz GOHKNFKJGODCNB-MRXNPFEDSA-N -1 1 404.532 4.003 20 0 HIADMM CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1 ZINC000027634249 847330249 /nfs/dbraw/zinc/33/02/49/847330249.db2.gz FTYVTAHVADGLDS-JOCHJYFZSA-N -1 1 423.538 4.052 20 0 HIADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000027697424 847339847 /nfs/dbraw/zinc/33/98/47/847339847.db2.gz XGDOIHMZLAXJEX-DYESRHJHSA-N -1 1 400.544 4.494 20 0 HIADMM Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000028213652 847396905 /nfs/dbraw/zinc/39/69/05/847396905.db2.gz KENVCRJDCAECAO-UHFFFAOYSA-N -1 1 420.874 4.103 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)NCC(C)(C)c1ccccc1 ZINC000028395183 847416117 /nfs/dbraw/zinc/41/61/17/847416117.db2.gz MYLXBEGFWJSOJN-UHFFFAOYSA-N -1 1 408.527 4.040 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H]3CC)c2)cc1 ZINC000028490714 847426390 /nfs/dbraw/zinc/42/63/90/847426390.db2.gz TWIMQUNEERYVBS-IBGZPJMESA-N -1 1 416.543 4.291 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cccs3)cc2)c1C ZINC000028700862 847451135 /nfs/dbraw/zinc/45/11/35/847451135.db2.gz WUBUPETVAMUUTE-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000028837200 847467351 /nfs/dbraw/zinc/46/73/51/847467351.db2.gz BWGSSIDUYVXJCD-UHFFFAOYSA-N -1 1 422.890 4.075 20 0 HIADMM COc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cc1 ZINC000029004249 847492070 /nfs/dbraw/zinc/49/20/70/847492070.db2.gz ZWPXCAQJSNYMLW-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c[nH]nc4c3)cc2)c1C ZINC000029372481 847554323 /nfs/dbraw/zinc/55/43/23/847554323.db2.gz KLQHKMMZCVNEKE-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM O=C(CCc1ccco1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000029487278 847569256 /nfs/dbraw/zinc/56/92/56/847569256.db2.gz DNJWTKWHMHWLIQ-UHFFFAOYSA-N -1 1 404.875 4.305 20 0 HIADMM Cc1nc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)sc1C ZINC000029581957 847582906 /nfs/dbraw/zinc/58/29/06/847582906.db2.gz CWRGMXLGYXLFHG-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])o1 ZINC000029696365 847602599 /nfs/dbraw/zinc/60/25/99/847602599.db2.gz ITBHEIBBQOZRON-UHFFFAOYSA-N -1 1 406.847 4.000 20 0 HIADMM COc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000029817196 847625508 /nfs/dbraw/zinc/62/55/08/847625508.db2.gz HQFPJZQCGYQHEV-UHFFFAOYSA-N -1 1 402.497 4.048 20 0 HIADMM O=C(OCc1cccc2cccnc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000029865301 847636863 /nfs/dbraw/zinc/63/68/63/847636863.db2.gz DBKRDWLSQJZUQL-UHFFFAOYSA-N -1 1 418.474 4.393 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(Cn3cccn3)c2)c1 ZINC000029913581 847649232 /nfs/dbraw/zinc/64/92/32/847649232.db2.gz OZQKCXBUNIRZGW-UHFFFAOYSA-N -1 1 418.526 4.190 20 0 HIADMM CCN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000030011860 847670347 /nfs/dbraw/zinc/67/03/47/847670347.db2.gz RQNOOSPYQNZFSW-UHFFFAOYSA-N -1 1 412.486 4.289 20 0 HIADMM Cc1ccc2c(c1)CCCN2C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000030028928 847674328 /nfs/dbraw/zinc/67/43/28/847674328.db2.gz SCVWSFOXAPIFEN-UHFFFAOYSA-N -1 1 406.507 4.389 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3cccc(F)c3)c([O-])c2)c1 ZINC000030038857 847676814 /nfs/dbraw/zinc/67/68/14/847676814.db2.gz DZVRLYORWRFLDR-UHFFFAOYSA-N -1 1 410.401 4.053 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000030424482 847713769 /nfs/dbraw/zinc/71/37/69/847713769.db2.gz WFJJUJFZNNTUKC-HNNXBMFYSA-N -1 1 406.523 4.442 20 0 HIADMM O=C(Nc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1)c1ccccc1 ZINC000030670857 847756310 /nfs/dbraw/zinc/75/63/10/847756310.db2.gz NAELNWVUTSHROQ-UHFFFAOYSA-N -1 1 415.401 4.108 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000030685188 847759485 /nfs/dbraw/zinc/75/94/85/847759485.db2.gz SGRGXAJLEICSOG-UHFFFAOYSA-N -1 1 416.934 4.318 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1 ZINC000436502559 861827763 /nfs/dbraw/zinc/82/77/63/861827763.db2.gz CMOYLELSZAYTQI-UHFFFAOYSA-N -1 1 413.861 4.394 20 0 HIADMM CCOc1cc(-c2noc(-c3ccnc4ccncc43)n2)cc(Br)c1[O-] ZINC000436518755 861831877 /nfs/dbraw/zinc/83/18/77/861831877.db2.gz ZOPXPOBAWHHFBU-UHFFFAOYSA-N -1 1 413.231 4.214 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1 ZINC000436514355 861831056 /nfs/dbraw/zinc/83/10/56/861831056.db2.gz PCKIKYIVVHBQAD-UHFFFAOYSA-N -1 1 404.394 4.141 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c1 ZINC000436513077 861831193 /nfs/dbraw/zinc/83/11/93/861831193.db2.gz ZQCZYIDVZYTZIN-GJZGRUSLSA-N -1 1 408.479 4.477 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000031033421 847812221 /nfs/dbraw/zinc/81/22/21/847812221.db2.gz OXCOTGIWAAPGPG-UHFFFAOYSA-N -1 1 408.405 4.453 20 0 HIADMM O=C(NC[C@H]1CCCC(F)(F)C1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436519320 861833339 /nfs/dbraw/zinc/83/33/39/861833339.db2.gz WGFNUMCVDJOKHL-KXBFYZLASA-N -1 1 416.468 4.092 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cccc(C)c3)c2)cc1 ZINC000031108526 847824973 /nfs/dbraw/zinc/82/49/73/847824973.db2.gz ZIEZTUYZBZISRZ-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM COc1cc(-c2noc(-c3ccc4c(c3)CCCC4=O)n2)cc(Br)c1[O-] ZINC000436522704 861833901 /nfs/dbraw/zinc/83/39/01/861833901.db2.gz WWLRYBROEMWFRO-UHFFFAOYSA-N -1 1 415.243 4.399 20 0 HIADMM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000436534691 861839337 /nfs/dbraw/zinc/83/93/37/861839337.db2.gz LUPXRIFUHPKNGZ-ZDUSSCGKSA-N -1 1 419.909 4.419 20 0 HIADMM O=C(Nc1nncs1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000031273438 847855659 /nfs/dbraw/zinc/85/56/59/847855659.db2.gz ZKOOILNNCZRVHJ-UHFFFAOYSA-N -1 1 409.254 4.055 20 0 HIADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000031384001 847872808 /nfs/dbraw/zinc/87/28/08/847872808.db2.gz OGDRVABTLLAFFO-IERDGZPVSA-N -1 1 418.534 4.206 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3C)cc2)cc1 ZINC000031382974 847872914 /nfs/dbraw/zinc/87/29/14/847872914.db2.gz VCNXAPMHOPYLCU-IERDGZPVSA-N -1 1 416.543 4.147 20 0 HIADMM O=C(NCC1CCC1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000031440150 847885094 /nfs/dbraw/zinc/88/50/94/847885094.db2.gz HVCWHDYUTQUIKK-UHFFFAOYSA-N -1 1 412.433 4.036 20 0 HIADMM CC(C)c1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c([O-])c1 ZINC000436537585 861841127 /nfs/dbraw/zinc/84/11/27/861841127.db2.gz HSDAPRLOCRIEIO-UHFFFAOYSA-N -1 1 401.466 4.366 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c2ccccc2O1 ZINC000436538557 861841293 /nfs/dbraw/zinc/84/12/93/861841293.db2.gz KCBWNZGUEJWIDB-CYBMUJFWSA-N -1 1 424.403 4.350 20 0 HIADMM CCCS(=O)(=O)Nc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])c(F)cc1F ZINC000436536882 861841482 /nfs/dbraw/zinc/84/14/82/861841482.db2.gz QSUKTXSFGLKHCL-UHFFFAOYSA-N -1 1 412.458 4.198 20 0 HIADMM COC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000436540369 861842418 /nfs/dbraw/zinc/84/24/18/861842418.db2.gz WSQQHZQXJBRDSA-GFCCVEGCSA-N -1 1 423.296 4.060 20 0 HIADMM CC[C@@H](C)N(C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436542076 861843747 /nfs/dbraw/zinc/84/37/47/861843747.db2.gz CQARUISFSFCDDP-GFCCVEGCSA-N -1 1 405.292 4.278 20 0 HIADMM O=C(Nc1c(Cl)cc(NC(=O)c2cc(F)ccc2[O-])cc1Cl)c1cnccn1 ZINC000436544023 861844416 /nfs/dbraw/zinc/84/44/16/861844416.db2.gz HZSBINOFWKIEKN-UHFFFAOYSA-N -1 1 421.215 4.133 20 0 HIADMM CC[C@@H]1COCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436546884 861845365 /nfs/dbraw/zinc/84/53/65/861845365.db2.gz HLTRXYWCLLIGHM-CQSZACIVSA-N -1 1 423.296 4.202 20 0 HIADMM O=C1OCCN1c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000031720087 847938189 /nfs/dbraw/zinc/93/81/89/847938189.db2.gz KQADUYZLBIAMSE-UHFFFAOYSA-N -1 1 420.796 4.116 20 0 HIADMM C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[n-]1)n1nnc(-c2cccc(F)c2)n1 ZINC000031734378 847940584 /nfs/dbraw/zinc/94/05/84/847940584.db2.gz GUMOTPLKIXARKL-SNVBAGLBSA-N -1 1 424.486 4.115 20 0 HIADMM CC(C)COCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000031812138 847954437 /nfs/dbraw/zinc/95/44/37/847954437.db2.gz JEFSSOIAWMCVCV-UHFFFAOYSA-N -1 1 410.923 4.142 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])[C@@H]1C ZINC000436569621 861855334 /nfs/dbraw/zinc/85/53/34/861855334.db2.gz GWNPRFDRBREVNL-CHWSQXEVSA-N -1 1 417.303 4.278 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1OC1CCCC1 ZINC000032098595 847987796 /nfs/dbraw/zinc/98/77/96/847987796.db2.gz QTIGUVNNIFTPPN-UHFFFAOYSA-N -1 1 420.487 4.342 20 0 HIADMM CCC(CC)CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000032263109 847995822 /nfs/dbraw/zinc/99/58/22/847995822.db2.gz SCMVQQLOLAUIOR-UHFFFAOYSA-N -1 1 418.559 4.394 20 0 HIADMM O=C(NCCCc1ccccc1F)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436563980 861853312 /nfs/dbraw/zinc/85/33/12/861853312.db2.gz IOEAERKXWCNDDU-JOCHJYFZSA-N -1 1 420.484 4.038 20 0 HIADMM CC(C)N(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])C1CC1 ZINC000436563950 861853614 /nfs/dbraw/zinc/85/36/14/861853614.db2.gz GAMXXVCPBQPKDU-UHFFFAOYSA-N -1 1 417.303 4.420 20 0 HIADMM C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436566325 861853924 /nfs/dbraw/zinc/85/39/24/861853924.db2.gz LHVBGWXGSFKTLQ-CYBMUJFWSA-N -1 1 423.738 4.327 20 0 HIADMM O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436566406 861854150 /nfs/dbraw/zinc/85/41/50/861854150.db2.gz XJUPIBDFYSYZDD-NRFANRHFSA-N -1 1 416.477 4.114 20 0 HIADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C1 ZINC000436565793 861854395 /nfs/dbraw/zinc/85/43/95/861854395.db2.gz WHZAJLQTZXZGKH-CHWSQXEVSA-N -1 1 417.303 4.278 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)c1ccccc1 ZINC000032370119 848013924 /nfs/dbraw/zinc/01/39/24/848013924.db2.gz JNFQYPPHCGCQBU-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)c1cc2ccccc2cc1[O-] ZINC000436571430 861855920 /nfs/dbraw/zinc/85/59/20/861855920.db2.gz CSEULRYBGGGDJC-INIZCTEOSA-N -1 1 419.399 4.076 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000032419161 848023170 /nfs/dbraw/zinc/02/31/70/848023170.db2.gz ZRAQCOHFVNTNKJ-SJORKVTESA-N -1 1 402.564 4.337 20 0 HIADMM CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436574748 861856903 /nfs/dbraw/zinc/85/69/03/861856903.db2.gz MGSCLRQOVZFJPQ-KRWDZBQOSA-N -1 1 419.399 4.076 20 0 HIADMM Cc1cnc([C@H](C)NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])s1 ZINC000436575089 861857830 /nfs/dbraw/zinc/85/78/30/861857830.db2.gz MFCQVGJWKSSGFD-NSHDSACASA-N -1 1 417.437 4.179 20 0 HIADMM CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436579177 861858734 /nfs/dbraw/zinc/85/87/34/861858734.db2.gz CJGKUJYNVUHYIF-HNNXBMFYSA-N -1 1 412.511 4.016 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)c2ccccc12 ZINC000032589187 848049821 /nfs/dbraw/zinc/04/98/21/848049821.db2.gz RXWAPPNPKNMMNA-UHFFFAOYSA-N -1 1 424.522 4.320 20 0 HIADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(OC(C)C)c4ccccc43)ccc21 ZINC000032588711 848049991 /nfs/dbraw/zinc/04/99/91/848049991.db2.gz PSWXCLDEHUXXQK-UHFFFAOYSA-N -1 1 424.522 4.337 20 0 HIADMM COc1cc(N[C@@H]2CCCN(C(=O)c3ccc4ccccc4c3[O-])C2)cc(OC)c1 ZINC000436584643 861859478 /nfs/dbraw/zinc/85/94/78/861859478.db2.gz JNCAAESBMPEZEG-QGZVFWFLSA-N -1 1 406.482 4.279 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)cc1C ZINC000032595263 848050913 /nfs/dbraw/zinc/05/09/13/848050913.db2.gz CWKRMSKUMZKJDK-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc2c(c1)CCC2 ZINC000032601722 848052416 /nfs/dbraw/zinc/05/24/16/848052416.db2.gz PWSPUOVTDOOEQB-UHFFFAOYSA-N -1 1 407.417 4.181 20 0 HIADMM COc1cc(N[C@H]2CCCN(C(=O)c3ccc4ccccc4c3[O-])C2)cc(OC)c1 ZINC000436584641 861859717 /nfs/dbraw/zinc/85/97/17/861859717.db2.gz JNCAAESBMPEZEG-KRWDZBQOSA-N -1 1 406.482 4.279 20 0 HIADMM O=C(N[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1)c1cc2ccccc2o1 ZINC000436583709 861859882 /nfs/dbraw/zinc/85/98/82/861859882.db2.gz FHPRWVZSDNODGX-SFHVURJKSA-N -1 1 414.461 4.326 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)N(CC)CC)c2)cc1 ZINC000032628305 848055115 /nfs/dbraw/zinc/05/51/15/848055115.db2.gz JVXSOAJHMZYVSI-QGZVFWFLSA-N -1 1 418.559 4.248 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(C)=O ZINC000032627051 848055168 /nfs/dbraw/zinc/05/51/68/848055168.db2.gz XECNLFVUJWUBTC-UHFFFAOYSA-N -1 1 401.315 4.163 20 0 HIADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000033098105 848108410 /nfs/dbraw/zinc/10/84/10/848108410.db2.gz XDINGCCJNRAROH-HNAYVOBHSA-N -1 1 404.507 4.277 20 0 HIADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000033098104 848108642 /nfs/dbraw/zinc/10/86/42/848108642.db2.gz XDINGCCJNRAROH-DNVCBOLYSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)Cc2ccco2)c1 ZINC000033208750 848125158 /nfs/dbraw/zinc/12/51/58/848125158.db2.gz QCPCDHUYLHNMTR-QGZVFWFLSA-N -1 1 412.511 4.058 20 0 HIADMM CN(CCC1CC1)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436609735 861868467 /nfs/dbraw/zinc/86/84/67/861868467.db2.gz WCFPZBRAFCZBKI-UHFFFAOYSA-N -1 1 417.303 4.279 20 0 HIADMM O=S(=O)([N-]Cc1ccc(Br)cc1)c1cc(Cl)sc1Cl ZINC000033635362 848137654 /nfs/dbraw/zinc/13/76/54/848137654.db2.gz MZANPZDIDCFIPL-UHFFFAOYSA-N -1 1 401.134 4.296 20 0 HIADMM O=C(N[C@H]1CCc2cc(F)ccc21)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436613105 861870394 /nfs/dbraw/zinc/87/03/94/861870394.db2.gz SOZMVORFPQJBAI-VXKWHMMOSA-N -1 1 418.468 4.093 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2)cc1 ZINC000036661933 848153010 /nfs/dbraw/zinc/15/30/10/848153010.db2.gz QGQCSYSFZSPFSI-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM COCC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436623038 861873387 /nfs/dbraw/zinc/87/33/87/861873387.db2.gz HHHNWWRSBASSAI-LLVKDONJSA-N -1 1 411.285 4.106 20 0 HIADMM Cc1nc2cc(NS(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3Cl)ccc2s1 ZINC000038846631 848180896 /nfs/dbraw/zinc/18/08/96/848180896.db2.gz LUXYFRHNNNOWFF-UHFFFAOYSA-N -1 1 417.295 4.411 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cc(Br)cnc1Cl ZINC000041065736 848200854 /nfs/dbraw/zinc/20/08/54/848200854.db2.gz GGXNUCFJKZVPLR-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM COc1ccccc1-c1csc([C@H]2CCCN(C(=O)C(=O)c3ccc([O-])cc3)C2)n1 ZINC000436636989 861877475 /nfs/dbraw/zinc/87/74/75/861877475.db2.gz UCFNCMKECSAUMF-INIZCTEOSA-N -1 1 422.506 4.113 20 0 HIADMM O=C(Nc1ccc2c(c1)CCCO2)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436637340 861877748 /nfs/dbraw/zinc/87/77/48/861877748.db2.gz XLDYPHAQYXBATL-NRFANRHFSA-N -1 1 416.477 4.114 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nnc(-c3ccco3)s2)cc1 ZINC000041841383 848256736 /nfs/dbraw/zinc/25/67/36/848256736.db2.gz WLVDSIWXQMVRBX-UHFFFAOYSA-N -1 1 412.500 4.056 20 0 HIADMM C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3cc4ccccc4cc3[O-])c2)C1=O ZINC000436660377 861885784 /nfs/dbraw/zinc/88/57/84/861885784.db2.gz CGMOHWVVNVIWCW-DEOSSOPVSA-N -1 1 415.449 4.023 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000436661780 861885958 /nfs/dbraw/zinc/88/59/58/861885958.db2.gz HEDZIGMKIWQTHJ-UHFFFAOYSA-N -1 1 408.395 4.217 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000042092089 848284726 /nfs/dbraw/zinc/28/47/26/848284726.db2.gz WQYJDUVPPKHODO-QHCPKHFHSA-N -1 1 418.541 4.320 20 0 HIADMM CC(C)CSCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436670245 861889033 /nfs/dbraw/zinc/88/90/33/861889033.db2.gz DBRPDAWYEUVGOU-HXUWFJFHSA-N -1 1 414.571 4.046 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2sccc2Br)c(Br)c1 ZINC000042350500 848320282 /nfs/dbraw/zinc/32/02/82/848320282.db2.gz SZINYKXMFCCANJ-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc2ccccc2c1[O-] ZINC000436704681 861897664 /nfs/dbraw/zinc/89/76/64/861897664.db2.gz HZQAKXKSHBMJSF-UHFFFAOYSA-N -1 1 413.271 4.019 20 0 HIADMM COc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1[N-]S(C)(=O)=O ZINC000044036267 848505490 /nfs/dbraw/zinc/50/54/90/848505490.db2.gz HVXCKYCXRFFYKF-UHFFFAOYSA-N -1 1 410.904 4.187 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1[O-] ZINC000436723576 861911937 /nfs/dbraw/zinc/91/19/37/861911937.db2.gz UZIQEJULRQRKDP-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)C1CC1 ZINC000044545123 848568513 /nfs/dbraw/zinc/56/85/13/848568513.db2.gz VLNFSXYVVUJLJW-UHFFFAOYSA-N -1 1 412.433 4.131 20 0 HIADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(Cl)cn1 ZINC000436741380 861926018 /nfs/dbraw/zinc/92/60/18/861926018.db2.gz UYYGPSUYRDZZLT-XOBRGWDASA-N -1 1 423.900 4.076 20 0 HIADMM COc1ccc([C@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C2CC2)cc1 ZINC000045316760 848664342 /nfs/dbraw/zinc/66/43/42/848664342.db2.gz LKNGNMDCYKURMR-JOCHJYFZSA-N -1 1 408.498 4.156 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436743167 861928682 /nfs/dbraw/zinc/92/86/82/861928682.db2.gz XXSVJGUHVXGRHT-UHFFFAOYSA-N -1 1 424.884 4.395 20 0 HIADMM Cc1cccn(Cc2c(F)cccc2NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1=O ZINC000436746695 861928725 /nfs/dbraw/zinc/92/87/25/861928725.db2.gz HFKMCCUBIFMQNX-UHFFFAOYSA-N -1 1 420.362 4.321 20 0 HIADMM CCCCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1)C1CC1 ZINC000045370038 848671986 /nfs/dbraw/zinc/67/19/86/848671986.db2.gz VYQMPMSXHBQFAI-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM COc1cc(F)ccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000045442259 848680706 /nfs/dbraw/zinc/68/07/06/848680706.db2.gz VOBHOORXMIAKFQ-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CC(C)Oc1ccc(CCNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000045894080 848748648 /nfs/dbraw/zinc/74/86/48/848748648.db2.gz DOYMRZUKWNPINO-UHFFFAOYSA-N -1 1 410.514 4.026 20 0 HIADMM CCN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])C1CC1 ZINC000436757769 861944985 /nfs/dbraw/zinc/94/49/85/861944985.db2.gz WWAPXTRSWZXMCV-UHFFFAOYSA-N -1 1 403.276 4.032 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000436756803 861945746 /nfs/dbraw/zinc/94/57/46/861945746.db2.gz FLSLOHBPRKGKAZ-LLVKDONJSA-N -1 1 424.810 4.127 20 0 HIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3SC3CCCC3)ccc2N1 ZINC000046303577 848818692 /nfs/dbraw/zinc/81/86/92/848818692.db2.gz LFCTWGHDOMOLSI-UHFFFAOYSA-N -1 1 402.541 4.407 20 0 HIADMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436760796 861950558 /nfs/dbraw/zinc/95/05/58/861950558.db2.gz FNPQYGYUFLLGGZ-LBPRGKRZSA-N -1 1 400.381 4.349 20 0 HIADMM Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588656 848880692 /nfs/dbraw/zinc/88/06/92/848880692.db2.gz YVTYTUZARNBHDA-UHFFFAOYSA-N -1 1 419.506 4.458 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(-c2ccccc2)on1 ZINC000046611797 848886146 /nfs/dbraw/zinc/88/61/46/848886146.db2.gz SCERCTWMKKZYOZ-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM CCOc1cc(-c2noc(CCC(=O)c3ccccc3)n2)cc(Br)c1[O-] ZINC000436765092 861954036 /nfs/dbraw/zinc/95/40/36/861954036.db2.gz AWGARFRXRXDCCF-UHFFFAOYSA-N -1 1 417.259 4.419 20 0 HIADMM Cc1nc([C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])c2ccc(Cl)cc2)no1 ZINC000436769937 861959223 /nfs/dbraw/zinc/95/92/23/861959223.db2.gz PGCUPVXYMHVEOM-HNNXBMFYSA-N -1 1 411.767 4.275 20 0 HIADMM COc1ccccc1COC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436771047 861962363 /nfs/dbraw/zinc/96/23/63/861962363.db2.gz WPPRXYODZDTIEP-UHFFFAOYSA-N -1 1 409.404 4.241 20 0 HIADMM CCOc1cc(-c2noc(COc3cccc(C)c3)n2)cc(Br)c1[O-] ZINC000436771492 861963904 /nfs/dbraw/zinc/96/39/04/861963904.db2.gz WBWWDUOUKRDLAR-UHFFFAOYSA-N -1 1 405.248 4.491 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000047119250 848986852 /nfs/dbraw/zinc/98/68/52/848986852.db2.gz MUBLKRZCLGSGCY-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436778225 861969443 /nfs/dbraw/zinc/96/94/43/861969443.db2.gz QXKCOQHEJLDMOR-UHFFFAOYSA-N -1 1 424.419 4.287 20 0 HIADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000436777450 861969943 /nfs/dbraw/zinc/96/99/43/861969943.db2.gz NMEYEPFAUUATNY-VBKZILBWSA-N -1 1 423.431 4.466 20 0 HIADMM COc1cc(Br)c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1OC ZINC000436795695 861989534 /nfs/dbraw/zinc/98/95/34/861989534.db2.gz ZOBMUSWVNBCVCU-UHFFFAOYSA-N -1 1 420.181 4.443 20 0 HIADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(I)cc1 ZINC000048430100 849221750 /nfs/dbraw/zinc/22/17/50/849221750.db2.gz XHYRHWYLVBLQLB-UHFFFAOYSA-N -1 1 401.269 4.215 20 0 HIADMM CN(Cc1cc(Br)cs1)C(=O)c1cc(Br)ccc1[O-] ZINC000048597163 849248210 /nfs/dbraw/zinc/24/82/10/849248210.db2.gz BWQQUQSKXKUUSY-UHFFFAOYSA-N -1 1 405.111 4.251 20 0 HIADMM CCc1ccc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(O)c1 ZINC000436817347 862001647 /nfs/dbraw/zinc/00/16/47/862001647.db2.gz ANJPWMHRJUPLFT-UHFFFAOYSA-N -1 1 424.522 4.028 20 0 HIADMM CSc1ccc(Cl)c(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)c1 ZINC000049946493 849335681 /nfs/dbraw/zinc/33/56/81/849335681.db2.gz YLNBORRXRXFWKC-UHFFFAOYSA-N -1 1 405.932 4.096 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2nnc(-c3ccccn3)s2)cc1 ZINC000050004824 849339338 /nfs/dbraw/zinc/33/93/38/849339338.db2.gz BNELJTXYZPMVBA-UHFFFAOYSA-N -1 1 409.500 4.118 20 0 HIADMM COc1ccc(OC)c([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)c1 ZINC000050530669 849391923 /nfs/dbraw/zinc/39/19/23/849391923.db2.gz JBHJIFVZNAFHLP-UHFFFAOYSA-N -1 1 411.426 4.034 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000436837408 862017347 /nfs/dbraw/zinc/01/73/47/862017347.db2.gz OLOYUUNIRLNBQS-CQSZACIVSA-N -1 1 406.280 4.173 20 0 HIADMM O=C(NCC1Cc2ccccc2C1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436847240 862023315 /nfs/dbraw/zinc/02/33/15/862023315.db2.gz ZVVIPRZTYRMDDO-UHFFFAOYSA-N -1 1 422.431 4.068 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000052023591 849542884 /nfs/dbraw/zinc/54/28/84/849542884.db2.gz ISKKSFZWTKGVNA-UHFFFAOYSA-N -1 1 415.964 4.163 20 0 HIADMM CC(C)c1ccc(CCC(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)cc1 ZINC000052357330 849573706 /nfs/dbraw/zinc/57/37/06/849573706.db2.gz CROAPXPJALGUKV-UHFFFAOYSA-N -1 1 401.561 4.220 20 0 HIADMM O=C(Nc1cccc(OC(F)F)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000053434140 849711321 /nfs/dbraw/zinc/71/13/21/849711321.db2.gz MYVURGCNYYZVJV-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM CCSc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccn1 ZINC000053504761 849722557 /nfs/dbraw/zinc/72/25/57/849722557.db2.gz WCSSSGGVQPNELB-UHFFFAOYSA-N -1 1 413.524 4.247 20 0 HIADMM CCSc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccn1 ZINC000053512274 849723212 /nfs/dbraw/zinc/72/32/12/849723212.db2.gz WLQOYYGKYGDLLN-UHFFFAOYSA-N -1 1 413.524 4.247 20 0 HIADMM Cc1ccc(NC(=O)c2scnc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000053512291 849723405 /nfs/dbraw/zinc/72/34/05/849723405.db2.gz BFOPBIQLOXPUBO-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1F ZINC000053819608 849763271 /nfs/dbraw/zinc/76/32/71/849763271.db2.gz UJPDPTNIQHGYBY-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM COc1cc(-c2noc([C@@H]3CCC(=O)c4ccccc43)n2)cc(Br)c1[O-] ZINC000436879784 862057116 /nfs/dbraw/zinc/05/71/16/862057116.db2.gz OKXSSKQXIQJHKF-CYBMUJFWSA-N -1 1 415.243 4.322 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CN(c4ccccn4)C[C@H]3C)n2)cc(Cl)c1[O-] ZINC000436880012 862057380 /nfs/dbraw/zinc/05/73/80/862057380.db2.gz ZACUCXRGPKLZMW-TZMCWYRMSA-N -1 1 400.866 4.129 20 0 HIADMM O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc([O-])cc1F ZINC000436882770 862062631 /nfs/dbraw/zinc/06/26/31/862062631.db2.gz VWRPXWPNJVLDGL-UHFFFAOYSA-N -1 1 401.441 4.373 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(CCC(C)C)no3)c([O-])c2)c1 ZINC000436889179 862065842 /nfs/dbraw/zinc/06/58/42/862065842.db2.gz QDSGMEIAZSBGLA-UHFFFAOYSA-N -1 1 411.458 4.300 20 0 HIADMM CCOc1ccccc1CN(C)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000054586193 849891617 /nfs/dbraw/zinc/89/16/17/849891617.db2.gz FNTWZCIALQWSPL-UHFFFAOYSA-N -1 1 410.543 4.364 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(OC)c(F)c3)n2)cc(Br)c1[O-] ZINC000436890436 862068281 /nfs/dbraw/zinc/06/82/81/862068281.db2.gz UBVAJLNDILDBLM-UHFFFAOYSA-N -1 1 409.211 4.418 20 0 HIADMM CCOc1cc(-c2noc(CN3CCc4ccccc43)n2)cc(Br)c1[O-] ZINC000436892355 862069766 /nfs/dbraw/zinc/06/97/66/862069766.db2.gz KSRACNZZHPLGIJ-UHFFFAOYSA-N -1 1 416.275 4.166 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc(C(C)=O)cc3)n2)cc(Br)c1[O-] ZINC000436892485 862069830 /nfs/dbraw/zinc/06/98/30/862069830.db2.gz JVABSCWDCYKCHX-UHFFFAOYSA-N -1 1 417.259 4.397 20 0 HIADMM O=C(NCCCCSc1ccccc1Br)C(=O)c1ccc([O-])cc1 ZINC000436895626 862072082 /nfs/dbraw/zinc/07/20/82/862072082.db2.gz JOXMCKDYJDSINV-UHFFFAOYSA-N -1 1 408.317 4.026 20 0 HIADMM CCCNC(=O)c1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1Cl ZINC000436906534 862081876 /nfs/dbraw/zinc/08/18/76/862081876.db2.gz CHIFOMLBDNUHCV-UHFFFAOYSA-N -1 1 411.683 4.200 20 0 HIADMM Cc1occc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000055461295 850030961 /nfs/dbraw/zinc/03/09/61/850030961.db2.gz HOQHHQQVZZSADN-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM COc1ccc(CC2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)cc1 ZINC000436907779 862084183 /nfs/dbraw/zinc/08/41/83/862084183.db2.gz TUZFVEYNHGZSQD-UHFFFAOYSA-N -1 1 404.304 4.258 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000055527531 850046638 /nfs/dbraw/zinc/04/66/38/850046638.db2.gz GZRWPKPNRWBNLP-UHFFFAOYSA-N -1 1 410.499 4.238 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NNc3ccc(F)cc3)ccc2C)cc1 ZINC000055544283 850049792 /nfs/dbraw/zinc/04/97/92/850049792.db2.gz KCZNDUAMPVBXLC-UHFFFAOYSA-N -1 1 413.474 4.000 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cccc(OCc2cccnc2)c1 ZINC000436911752 862089254 /nfs/dbraw/zinc/08/92/54/862089254.db2.gz GHHZQZFYGWEVDZ-UHFFFAOYSA-N -1 1 421.844 4.057 20 0 HIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cccc(OCc2cccnc2)c1 ZINC000436911752 862089269 /nfs/dbraw/zinc/08/92/69/862089269.db2.gz GHHZQZFYGWEVDZ-UHFFFAOYSA-N -1 1 421.844 4.057 20 0 HIADMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000055558015 850053746 /nfs/dbraw/zinc/05/37/46/850053746.db2.gz AWIRBANFDMKEER-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)cc1Cl ZINC000055580757 850061540 /nfs/dbraw/zinc/06/15/40/850061540.db2.gz LJIVRDREXRUDPE-UHFFFAOYSA-N -1 1 419.890 4.364 20 0 HIADMM Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436910468 862086430 /nfs/dbraw/zinc/08/64/30/862086430.db2.gz OEMBOHOLKCQJTH-UHFFFAOYSA-N -1 1 403.413 4.215 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c2ccccc12 ZINC000055585984 850064901 /nfs/dbraw/zinc/06/49/01/850064901.db2.gz KPHCIFXFTUABFA-UHFFFAOYSA-N -1 1 407.451 4.232 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000055592158 850067921 /nfs/dbraw/zinc/06/79/21/850067921.db2.gz RZCPMRJVMYYNFE-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)ccc1F ZINC000055592702 850067997 /nfs/dbraw/zinc/06/79/97/850067997.db2.gz XAJPOBMWJPEGGL-UHFFFAOYSA-N -1 1 406.410 4.228 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000055595448 850072052 /nfs/dbraw/zinc/07/20/52/850072052.db2.gz LJUYKUCERQANEB-UHFFFAOYSA-N -1 1 414.405 4.043 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1C ZINC000055615406 850077958 /nfs/dbraw/zinc/07/79/58/850077958.db2.gz VEVXOYYYAMVWFX-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM CCOc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)ccc1OC ZINC000055631739 850083271 /nfs/dbraw/zinc/08/32/71/850083271.db2.gz YRXGLTQYDYZMHM-UHFFFAOYSA-N -1 1 407.822 4.150 20 0 HIADMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000055632435 850083555 /nfs/dbraw/zinc/08/35/55/850083555.db2.gz XOXJNYBMALGXRP-UHFFFAOYSA-N -1 1 400.422 4.035 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(OCC)c2)c1 ZINC000055638697 850086893 /nfs/dbraw/zinc/08/68/93/850086893.db2.gz JGRMJVBZOSWATC-UHFFFAOYSA-N -1 1 406.504 4.023 20 0 HIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1C ZINC000055674392 850105581 /nfs/dbraw/zinc/10/55/81/850105581.db2.gz UKONFLAZELEBTQ-UHFFFAOYSA-N -1 1 411.321 4.134 20 0 HIADMM Cc1noc(-c2ccccc2)c1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436913778 862092376 /nfs/dbraw/zinc/09/23/76/862092376.db2.gz JZVVVFUNSIGZAL-UHFFFAOYSA-N -1 1 418.409 4.157 20 0 HIADMM CSc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000055747944 850133367 /nfs/dbraw/zinc/13/33/67/850133367.db2.gz NQPKGBPSOYOEQL-UHFFFAOYSA-N -1 1 412.536 4.139 20 0 HIADMM CSc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000055747497 850133505 /nfs/dbraw/zinc/13/35/05/850133505.db2.gz HAZONZZSYSQIEC-UHFFFAOYSA-N -1 1 412.536 4.139 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000436917971 862098598 /nfs/dbraw/zinc/09/85/98/862098598.db2.gz ZDJABJLGNCRAPY-UHFFFAOYSA-N -1 1 420.860 4.146 20 0 HIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000436917971 862098611 /nfs/dbraw/zinc/09/86/11/862098611.db2.gz ZDJABJLGNCRAPY-UHFFFAOYSA-N -1 1 420.860 4.146 20 0 HIADMM COc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)c([O-])c1 ZINC000436919993 862100005 /nfs/dbraw/zinc/10/00/05/862100005.db2.gz NRIUFMQEGYJRHS-UHFFFAOYSA-N -1 1 416.275 4.125 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)nc3C)ccc2C)c1 ZINC000056104924 850244920 /nfs/dbraw/zinc/24/49/20/850244920.db2.gz LEVBMHVVPZIDCS-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)c3ccc(F)c(F)c3)c2)c1 ZINC000056226208 850290836 /nfs/dbraw/zinc/29/08/36/850290836.db2.gz JFTMJQQDAMFGOT-UHFFFAOYSA-N -1 1 416.449 4.351 20 0 HIADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1csc(-c2ncccn2)n1 ZINC000056249377 850297916 /nfs/dbraw/zinc/29/79/16/850297916.db2.gz GLEMDJKYIWHGGS-UHFFFAOYSA-N -1 1 400.876 4.024 20 0 HIADMM CCN(C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H](C)c1cc2ccccc2o1 ZINC000056278186 850308710 /nfs/dbraw/zinc/30/87/10/850308710.db2.gz MDDRQLATQBLJPH-MRXNPFEDSA-N -1 1 416.481 4.039 20 0 HIADMM CCS[C@@H](C)c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000436942888 862119484 /nfs/dbraw/zinc/11/94/84/862119484.db2.gz JVTWJZVCBRRDEN-JTQLQIEISA-N -1 1 411.530 4.119 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c3ncccc23)c1 ZINC000436947015 862126195 /nfs/dbraw/zinc/12/61/95/862126195.db2.gz KZMAQTJJSDRQNM-UHFFFAOYSA-N -1 1 402.410 4.050 20 0 HIADMM C[C@@H]1COCC[C@H]1NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436950990 862128237 /nfs/dbraw/zinc/12/82/37/862128237.db2.gz QQYPFQHYWKZQCD-PIGZYNQJSA-N -1 1 423.296 4.106 20 0 HIADMM C[C@@H](C1CC1)N(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CC1 ZINC000056934509 850519514 /nfs/dbraw/zinc/51/95/14/850519514.db2.gz LMBGOMDHCGDEQJ-AWEZNQCLSA-N -1 1 402.491 4.030 20 0 HIADMM CC(C)COc1cccc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000056957290 850525420 /nfs/dbraw/zinc/52/54/20/850525420.db2.gz IDYWSABTCFHBGP-UHFFFAOYSA-N -1 1 410.514 4.232 20 0 HIADMM O=C(NCCOc1cccc2ccccc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000056960632 850525458 /nfs/dbraw/zinc/52/54/58/850525458.db2.gz LISSUQNKUUNTCJ-UHFFFAOYSA-N -1 1 418.493 4.229 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000057121386 850551787 /nfs/dbraw/zinc/55/17/87/850551787.db2.gz PPTFZHIBJURJAZ-LBPRGKRZSA-N -1 1 400.422 4.035 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCCC)cc2)cc1Cl ZINC000057121121 850552324 /nfs/dbraw/zinc/55/23/24/850552324.db2.gz UGCQGYBRMOTCRA-UHFFFAOYSA-N -1 1 410.923 4.069 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CCC(=O)N2CCCC2)cc1 ZINC000057125170 850553530 /nfs/dbraw/zinc/55/35/30/850553530.db2.gz TUOSRGPYZKJETB-UHFFFAOYSA-N -1 1 406.935 4.004 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H](C)c3ccc(Br)cc3)no2)c1 ZINC000436959512 862140944 /nfs/dbraw/zinc/14/09/44/862140944.db2.gz DBZMVQVRSOFBDD-SNVBAGLBSA-N -1 1 402.248 4.315 20 0 HIADMM Cc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000057378322 850619987 /nfs/dbraw/zinc/61/99/87/850619987.db2.gz JRGHKAQZHCBCCE-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CC[C@H](COC)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436979384 862156943 /nfs/dbraw/zinc/15/69/43/862156943.db2.gz KRVKOYXBTKIOBS-GFCCVEGCSA-N -1 1 411.285 4.106 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccc(F)c(Cl)c2)c1 ZINC000436980167 862159553 /nfs/dbraw/zinc/15/95/53/862159553.db2.gz OWQXSBIPXPJXHQ-UHFFFAOYSA-N -1 1 403.797 4.010 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C)cc3cccnc32)c1 ZINC000436981047 862159969 /nfs/dbraw/zinc/15/99/69/862159969.db2.gz SFSXHKHYIBSDIM-UHFFFAOYSA-N -1 1 402.410 4.050 20 0 HIADMM O=C(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000058058983 850759444 /nfs/dbraw/zinc/75/94/44/850759444.db2.gz UNDQBGBZQXFICJ-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1csc(C(F)(F)F)n1 ZINC000436990609 862167068 /nfs/dbraw/zinc/16/70/68/862167068.db2.gz RCVQFBXKNQTDLD-UHFFFAOYSA-N -1 1 413.421 4.182 20 0 HIADMM COc1ccc([C@H]2CCCN2Cn2c(=S)[n-]nc2Cc2cccs2)c(OC)c1 ZINC000058205196 850780598 /nfs/dbraw/zinc/78/05/98/850780598.db2.gz MPBKKYZIAUANQJ-QGZVFWFLSA-N -1 1 416.572 4.405 20 0 HIADMM COCc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000058290235 850793634 /nfs/dbraw/zinc/79/36/34/850793634.db2.gz ZLTBQHCKZSZOJD-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM O=C(Nc1ccc2ncccc2c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000058328891 850801770 /nfs/dbraw/zinc/80/17/70/850801770.db2.gz WRHCZYFVFBNFHS-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM O=C(Nc1ccc2ncccc2c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058328965 850801834 /nfs/dbraw/zinc/80/18/34/850801834.db2.gz UDVBWGOAESAEJS-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000436997681 862172626 /nfs/dbraw/zinc/17/26/26/862172626.db2.gz XCVAJCAUCQJIQY-UHFFFAOYSA-N -1 1 411.304 4.480 20 0 HIADMM Cc1cccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3O)n2)c1 ZINC000437002080 862175008 /nfs/dbraw/zinc/17/50/08/862175008.db2.gz SHXROHBPQVLCJL-UHFFFAOYSA-N -1 1 413.480 4.280 20 0 HIADMM Cc1ncsc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000058941353 850963616 /nfs/dbraw/zinc/96/36/16/850963616.db2.gz IALYTKCTFXVTJW-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1 ZINC000059768482 851011497 /nfs/dbraw/zinc/01/14/97/851011497.db2.gz QYEXZSJBWBZYDZ-UHFFFAOYSA-N -1 1 411.479 4.096 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000060354274 851074246 /nfs/dbraw/zinc/07/42/46/851074246.db2.gz ZEEULYIDLPCEGA-NRFANRHFSA-N -1 1 416.525 4.002 20 0 HIADMM Cc1ccc(C)c(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000060401531 851087893 /nfs/dbraw/zinc/08/78/93/851087893.db2.gz DFPMKPDXYMYHPX-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM Cc1ccc(NC(=O)c2cccnc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060411913 851090283 /nfs/dbraw/zinc/09/02/83/851090283.db2.gz DGQKJDASTMXTHH-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000060414593 851092468 /nfs/dbraw/zinc/09/24/68/851092468.db2.gz ZFVHMGZCYVWEDH-UHFFFAOYSA-N -1 1 420.490 4.210 20 0 HIADMM CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(Br)c1[O-] ZINC000060479284 851114042 /nfs/dbraw/zinc/11/40/42/851114042.db2.gz HWVXSCRVWLECTI-UHFFFAOYSA-N -1 1 421.316 4.397 20 0 HIADMM COc1ccc([C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c2ccccc2)cc1 ZINC000060497592 851121465 /nfs/dbraw/zinc/12/14/65/851121465.db2.gz GEUJOWHAEBSRDL-LJQANCHMSA-N -1 1 407.413 4.180 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000060648717 851178229 /nfs/dbraw/zinc/17/82/29/851178229.db2.gz SNYQJTHKEKSELY-UHFFFAOYSA-N -1 1 415.544 4.211 20 0 HIADMM O=C(Nc1ccc(O)cc1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000060795006 851214279 /nfs/dbraw/zinc/21/42/79/851214279.db2.gz GZMYVAKKGGEONS-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc2ccccc2nc1Cl ZINC000062294895 851526267 /nfs/dbraw/zinc/52/62/67/851526267.db2.gz XLXKVHLFBHLRCE-UHFFFAOYSA-N -1 1 404.875 4.007 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000062481985 851561588 /nfs/dbraw/zinc/56/15/88/851561588.db2.gz FVXIPJJJCLZSPR-UHFFFAOYSA-N -1 1 411.479 4.031 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3ccccn3)ccc2C)c1 ZINC000062931379 851607322 /nfs/dbraw/zinc/60/73/22/851607322.db2.gz QAERFMKSNCMYAN-UHFFFAOYSA-N -1 1 409.511 4.071 20 0 HIADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)c1 ZINC000063180424 851628770 /nfs/dbraw/zinc/62/87/70/851628770.db2.gz BHJMHKYYOYNVFJ-UHFFFAOYSA-N -1 1 404.532 4.148 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1C ZINC000063181248 851629623 /nfs/dbraw/zinc/62/96/23/851629623.db2.gz NMPHVSMUYNRAHU-UHFFFAOYSA-N -1 1 416.421 4.433 20 0 HIADMM CC(C)NC(=O)N[N-]C(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1 ZINC000063268868 851646684 /nfs/dbraw/zinc/64/66/84/851646684.db2.gz KZMGPTBUACLRKS-UHFFFAOYSA-N -1 1 409.511 4.347 20 0 HIADMM C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC1 ZINC000063275330 851648583 /nfs/dbraw/zinc/64/85/83/851648583.db2.gz MFXDAZCLXMBLMT-HNNXBMFYSA-N -1 1 406.935 4.403 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H](C)CC2)c1 ZINC000063275247 851648685 /nfs/dbraw/zinc/64/86/85/851648685.db2.gz HRMFFWRQAKXULN-MRXNPFEDSA-N -1 1 400.544 4.366 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1 ZINC000063586681 851719925 /nfs/dbraw/zinc/71/99/25/851719925.db2.gz CSKIMXMJPQYUJQ-OAHLLOKOSA-N -1 1 407.495 4.332 20 0 HIADMM O=S(=O)([N-]Cc1cccc2ccccc21)c1cc(Br)cnc1Cl ZINC000063764424 851757841 /nfs/dbraw/zinc/75/78/41/851757841.db2.gz SJJBLTHSATXLHS-UHFFFAOYSA-N -1 1 411.708 4.129 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3C(C)C)cc2)c1C ZINC000063814979 851770571 /nfs/dbraw/zinc/77/05/71/851770571.db2.gz FHKWJEJXXKELPN-NRFANRHFSA-N -1 1 400.544 4.365 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)cc1C ZINC000064374866 851881658 /nfs/dbraw/zinc/88/16/58/851881658.db2.gz RNKDSYSSEREPNN-UHFFFAOYSA-N -1 1 401.937 4.196 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c(C(F)(F)F)c1 ZINC000064375157 851881669 /nfs/dbraw/zinc/88/16/69/851881669.db2.gz UJKOVFLEIOXXTR-UHFFFAOYSA-N -1 1 413.373 4.011 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCCC(C)C)c2)cc1 ZINC000064373984 851881927 /nfs/dbraw/zinc/88/19/27/851881927.db2.gz JURYMGNQVMUONT-UHFFFAOYSA-N -1 1 418.559 4.394 20 0 HIADMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000064381244 851883771 /nfs/dbraw/zinc/88/37/71/851883771.db2.gz UTNCZKKOTLDYFZ-UHFFFAOYSA-N -1 1 418.540 4.101 20 0 HIADMM CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000437118826 862305799 /nfs/dbraw/zinc/30/57/99/862305799.db2.gz UWLGGKOMUZAZRE-IBGZPJMESA-N -1 1 419.566 4.400 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccc(F)cc3)c2)cc1F ZINC000065160480 852080905 /nfs/dbraw/zinc/08/09/05/852080905.db2.gz PVHFXKCIIISVGY-UHFFFAOYSA-N -1 1 416.449 4.351 20 0 HIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)cc1 ZINC000065223535 852089687 /nfs/dbraw/zinc/08/96/87/852089687.db2.gz DVOJJEOIQAMWDT-UHFFFAOYSA-N -1 1 400.544 4.421 20 0 HIADMM O=C(NCCc1ccccc1F)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000065621840 852202248 /nfs/dbraw/zinc/20/22/48/852202248.db2.gz HMQQLSYTUWEFEM-UHFFFAOYSA-N -1 1 414.383 4.034 20 0 HIADMM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)CCS1 ZINC000437144285 862335469 /nfs/dbraw/zinc/33/54/69/862335469.db2.gz IRCMPAWLDVHENU-SFHVURJKSA-N -1 1 418.584 4.072 20 0 HIADMM CC[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CCS1 ZINC000437144519 862335896 /nfs/dbraw/zinc/33/58/96/862335896.db2.gz JBTJVVHFXJBZEZ-IBGZPJMESA-N -1 1 418.584 4.072 20 0 HIADMM CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)CCS1 ZINC000437146842 862339949 /nfs/dbraw/zinc/33/99/49/862339949.db2.gz ZYIOKCKDMXRFJD-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1C ZINC000068869373 852373926 /nfs/dbraw/zinc/37/39/26/852373926.db2.gz XTWNZKKGHJTYBQ-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@@H](C)C3)c2)c1 ZINC000068883113 852374811 /nfs/dbraw/zinc/37/48/11/852374811.db2.gz ZICPVNJKYQJKCG-OAHLLOKOSA-N -1 1 406.935 4.321 20 0 HIADMM O=C(Cc1cccs1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000068958763 852376868 /nfs/dbraw/zinc/37/68/68/852376868.db2.gz XWORYADFXUIVEH-UHFFFAOYSA-N -1 1 408.451 4.008 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000068969106 852377921 /nfs/dbraw/zinc/37/79/21/852377921.db2.gz RLPNFBRTTOVKFT-LDBYXDLTSA-N -1 1 400.544 4.350 20 0 HIADMM Cc1ccc(NC(=O)c2cccn2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000068965778 852378182 /nfs/dbraw/zinc/37/81/82/852378182.db2.gz RRSYSKBQNSQOPO-UHFFFAOYSA-N -1 1 403.891 4.040 20 0 HIADMM CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000097548818 852627417 /nfs/dbraw/zinc/62/74/17/852627417.db2.gz SGAUDSBHMVLBII-UHFFFAOYSA-N -1 1 415.334 4.024 20 0 HIADMM CCn1c(CNC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)n[n-]c1=S ZINC000097550784 852629266 /nfs/dbraw/zinc/62/92/66/852629266.db2.gz VQNHCPRLMRDUNU-UHFFFAOYSA-N -1 1 424.555 4.059 20 0 HIADMM CCn1c(CCNC(=O)c2ccccc2OCc2ccc(Cl)cc2)n[n-]c1=S ZINC000097552870 852630377 /nfs/dbraw/zinc/63/03/77/852630377.db2.gz QXHVAAACCUROMP-UHFFFAOYSA-N -1 1 416.934 4.165 20 0 HIADMM CCn1c([C@@H]2CCCN(C(=O)C[C@H](c3ccccc3)C(F)(F)F)C2)n[n-]c1=S ZINC000097570152 852632281 /nfs/dbraw/zinc/63/22/81/852632281.db2.gz GBBISGYEJVAEHJ-HUUCEWRRSA-N -1 1 412.481 4.403 20 0 HIADMM Cc1ccn2cc(C(=O)Nc3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)nc2c1 ZINC000107542148 852775124 /nfs/dbraw/zinc/77/51/24/852775124.db2.gz YLQJESULNRUOTA-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2)c1 ZINC000108544633 852857886 /nfs/dbraw/zinc/85/78/86/852857886.db2.gz BBYRGFIVMXCZKF-UHFFFAOYSA-N -1 1 424.917 4.145 20 0 HIADMM O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(Br)cc1[O-] ZINC000109363822 852959048 /nfs/dbraw/zinc/95/90/48/852959048.db2.gz VQJJXJMTXZIBAK-UHFFFAOYSA-N -1 1 413.271 4.059 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1Br ZINC000109417352 852968556 /nfs/dbraw/zinc/96/85/56/852968556.db2.gz BEIWWFBHGBBXMF-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000110231448 853077410 /nfs/dbraw/zinc/07/74/10/853077410.db2.gz MVARBQNYHJFKDP-VGOFRKELSA-N -1 1 402.494 4.336 20 0 HIADMM Cc1csc(CCCCNC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)n1 ZINC000110614094 853127075 /nfs/dbraw/zinc/12/70/75/853127075.db2.gz YSROQMUXQMUIQQ-UHFFFAOYSA-N -1 1 421.979 4.165 20 0 HIADMM CCN1CCc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc21 ZINC000110807885 853153947 /nfs/dbraw/zinc/15/39/47/853153947.db2.gz LWIAVXYPAYNQRB-UHFFFAOYSA-N -1 1 421.522 4.122 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2nnc(-c3ccsc3)s2)c1 ZINC000110886063 853162312 /nfs/dbraw/zinc/16/23/12/853162312.db2.gz BMOOVKNBRXXIIR-UHFFFAOYSA-N -1 1 414.541 4.135 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000111036424 853191234 /nfs/dbraw/zinc/19/12/34/853191234.db2.gz PMKRIUKILXDVIJ-UHFFFAOYSA-N -1 1 422.872 4.266 20 0 HIADMM COc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c([O-])c1 ZINC000115521177 853252781 /nfs/dbraw/zinc/25/27/81/853252781.db2.gz SKIYORJUDKDLMP-UHFFFAOYSA-N -1 1 407.904 4.450 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCc2cc(Br)ccc21 ZINC000115999476 853277632 /nfs/dbraw/zinc/27/76/32/853277632.db2.gz RGNWISXARGKVOH-UHFFFAOYSA-N -1 1 421.345 4.021 20 0 HIADMM CCN(CCC(F)(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000116276567 853296029 /nfs/dbraw/zinc/29/60/29/853296029.db2.gz AKXPUQQHJLTMQQ-UHFFFAOYSA-N -1 1 414.449 4.210 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1COCc1ccccc1)c1cccc(F)c1F ZINC000116607457 853319347 /nfs/dbraw/zinc/31/93/47/853319347.db2.gz XDXIAUHKMOQPGU-UHFFFAOYSA-N -1 1 403.450 4.160 20 0 HIADMM Cn1ccnc1-c1cccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000117347724 853354487 /nfs/dbraw/zinc/35/44/87/853354487.db2.gz NEHSRRWMGFCTIM-UHFFFAOYSA-N -1 1 410.528 4.098 20 0 HIADMM CSC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000135359411 853375189 /nfs/dbraw/zinc/37/51/89/853375189.db2.gz IAJDVNZWMNQEHS-UHFFFAOYSA-N -1 1 407.182 4.176 20 0 HIADMM O=C(Cc1ccsc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000143386436 853514244 /nfs/dbraw/zinc/51/42/44/853514244.db2.gz SZTSBKSSQXRPFR-UHFFFAOYSA-N -1 1 408.451 4.008 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1Br ZINC000147469363 853588976 /nfs/dbraw/zinc/58/89/76/853588976.db2.gz ZGYJAMZVWSXOFK-UHFFFAOYSA-N -1 1 421.110 4.021 20 0 HIADMM CC(C)[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000149854169 853632525 /nfs/dbraw/zinc/63/25/25/853632525.db2.gz FPBAUQXQVUJGKQ-IBGZPJMESA-N -1 1 408.470 4.026 20 0 HIADMM CCN(CC)[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1Cl ZINC000195595979 853704599 /nfs/dbraw/zinc/70/45/99/853704599.db2.gz VPZNAOHAEYTXAZ-OAHLLOKOSA-N -1 1 400.828 4.276 20 0 HIADMM COc1cccc([C@@H](C)C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000195607628 853710718 /nfs/dbraw/zinc/71/07/18/853710718.db2.gz COYRKAISGLWKOV-MRXNPFEDSA-N -1 1 410.495 4.238 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000195700330 853766747 /nfs/dbraw/zinc/76/67/47/853766747.db2.gz UNBHRGOLSCGKRQ-IAGOWNOFSA-N -1 1 402.560 4.399 20 0 HIADMM CC(=O)CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000216536740 853855345 /nfs/dbraw/zinc/85/53/45/853855345.db2.gz USLMYZQQGOQBQX-UHFFFAOYSA-N -1 1 408.907 4.147 20 0 HIADMM O=S(=O)([N-]c1ncccc1Br)c1ccc(Cl)c(F)c1Cl ZINC000231729199 853896968 /nfs/dbraw/zinc/89/69/68/853896968.db2.gz MGJQTAUMQVYLSH-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM CC(C)N(Cc1cccs1)C(=O)c1cc(I)ccc1[O-] ZINC000232655349 853897664 /nfs/dbraw/zinc/89/76/64/853897664.db2.gz OTUOWQCBNQYNDI-UHFFFAOYSA-N -1 1 401.269 4.109 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)Cc3ccccc3-4)cc2C[C@H]1C ZINC000247937975 854167285 /nfs/dbraw/zinc/16/72/85/854167285.db2.gz MDWKFQXDPIVBID-OAHLLOKOSA-N -1 1 418.518 4.356 20 0 HIADMM C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261369462 854236350 /nfs/dbraw/zinc/23/63/50/854236350.db2.gz XQZHCCGSYSEKDQ-CQSZACIVSA-N -1 1 420.431 4.333 20 0 HIADMM C[C@@H](NC(=O)[C@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)cc1 ZINC000261369483 854236515 /nfs/dbraw/zinc/23/65/15/854236515.db2.gz ZVYJUZXXSSJQCB-CVEARBPZSA-N -1 1 414.933 4.206 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1 ZINC000261410745 854252835 /nfs/dbraw/zinc/25/28/35/854252835.db2.gz CSJXSGWBTQLQEV-GDLZYMKVSA-N -1 1 414.527 4.184 20 0 HIADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000261436334 854261716 /nfs/dbraw/zinc/26/17/16/854261716.db2.gz WYQWFIOLHYDNKO-LBPRGKRZSA-N -1 1 411.449 4.120 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n(-c2ccncc2)n1 ZINC000437301404 862558245 /nfs/dbraw/zinc/55/82/45/862558245.db2.gz GPDIINATDSEZQF-UHFFFAOYSA-N -1 1 416.812 4.049 20 0 HIADMM Cc1cc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc(-c2cccnc2)n1 ZINC000301402763 854383452 /nfs/dbraw/zinc/38/34/52/854383452.db2.gz DFZXIAFWQSBYSL-UHFFFAOYSA-N -1 1 418.478 4.440 20 0 HIADMM Cc1ccc(-c2nc(CCNc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)co2)cc1 ZINC000301410266 854386200 /nfs/dbraw/zinc/38/62/00/854386200.db2.gz OPRPYWHKAIMWDL-UHFFFAOYSA-N -1 1 401.470 4.479 20 0 HIADMM Cc1nc(-c2ccc(N[C@H]3CCCN(c4ccccc4Cl)C3=O)nc2)[n-]c(=O)c1C ZINC000301427459 854391424 /nfs/dbraw/zinc/39/14/24/854391424.db2.gz PIZHJAPNRHJXSJ-KRWDZBQOSA-N -1 1 423.904 4.122 20 0 HIADMM COc1ccc([C@H]2CCCN2c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c(OC)c1 ZINC000301496149 854408165 /nfs/dbraw/zinc/40/81/65/854408165.db2.gz BAXVYTPZPBMKDG-LJQANCHMSA-N -1 1 406.486 4.220 20 0 HIADMM Cc1cc(C)n(-c2ccccc2CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)n1 ZINC000301656187 854438444 /nfs/dbraw/zinc/43/84/44/854438444.db2.gz LCZSSRVOLXWDLO-UHFFFAOYSA-N -1 1 400.486 4.276 20 0 HIADMM Cc1nc(-c2ccc(N(C)Cc3cccc(OC(F)(F)F)c3)nc2)[n-]c(=O)c1C ZINC000301662503 854440227 /nfs/dbraw/zinc/44/02/27/854440227.db2.gz VBTRXKKMLBQPMX-UHFFFAOYSA-N -1 1 404.392 4.396 20 0 HIADMM Cc1nc(-c2ccc(N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000301773405 854462824 /nfs/dbraw/zinc/46/28/24/854462824.db2.gz KEKYWTFNYMXANW-WOJBJXKFSA-N -1 1 408.477 4.093 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)CCC(C)C)cc2)cc1 ZINC000301997362 854513176 /nfs/dbraw/zinc/51/31/76/854513176.db2.gz NIYABEFKFKYENQ-MRXNPFEDSA-N -1 1 404.532 4.051 20 0 HIADMM C[C@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccccc2C(C)(C)C)C[C@H](C)O1 ZINC000437319555 862586238 /nfs/dbraw/zinc/58/62/38/862586238.db2.gz ATUJPPCZLOKVKS-IRXDYDNUSA-N -1 1 402.560 4.399 20 0 HIADMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)c1cccc(O)c1 ZINC000302886708 854666405 /nfs/dbraw/zinc/66/64/05/854666405.db2.gz NFTOIZOOCBMHER-LBPRGKRZSA-N -1 1 405.426 4.039 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCN(c3ccccc3)CC2)cc1 ZINC000302955979 854695613 /nfs/dbraw/zinc/69/56/13/854695613.db2.gz LCZQXXOPANNFDD-UHFFFAOYSA-N -1 1 421.570 4.045 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000303012380 854722868 /nfs/dbraw/zinc/72/28/68/854722868.db2.gz NAMMOCLFQUXZGW-YLJYHZDGSA-N -1 1 422.554 4.295 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)cc1 ZINC000437327448 862597584 /nfs/dbraw/zinc/59/75/84/862597584.db2.gz UNLLRJYOLJSOTD-UHFFFAOYSA-N -1 1 400.500 4.068 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000303156140 854790546 /nfs/dbraw/zinc/79/05/46/854790546.db2.gz DKTZVIDRDPPTMH-GOSISDBHSA-N -1 1 421.551 4.278 20 0 HIADMM O=c1nc(CN2CCC(n3ccnc3)CC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000303408676 854913392 /nfs/dbraw/zinc/91/33/92/854913392.db2.gz UIHPPKUTCXCPOV-UHFFFAOYSA-N -1 1 409.490 4.237 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@H]1CCc2ccccc2C1 ZINC000303629766 855087910 /nfs/dbraw/zinc/08/79/10/855087910.db2.gz YMKWAFBENIQIQF-QFIPXVFZSA-N -1 1 420.534 4.117 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@](C)(c3ccccc3)C2)cc1 ZINC000303643830 855099723 /nfs/dbraw/zinc/09/97/23/855099723.db2.gz VZPQUHAPLAUJMU-QHCPKHFHSA-N -1 1 406.555 4.496 20 0 HIADMM CSCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000303657876 855111727 /nfs/dbraw/zinc/11/17/27/855111727.db2.gz AIRNUEYDJVAUJM-OAHLLOKOSA-N -1 1 424.563 4.149 20 0 HIADMM Cc1cccc(-c2ccc(CNC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)cc2)c1 ZINC000303730508 855157432 /nfs/dbraw/zinc/15/74/32/855157432.db2.gz VCQBCIXCSYQTBY-UHFFFAOYSA-N -1 1 424.504 4.387 20 0 HIADMM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000303732418 855158446 /nfs/dbraw/zinc/15/84/46/855158446.db2.gz VFFPSFWXROEQNU-HHHXNRCGSA-N -1 1 420.531 4.222 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccccc3Cc3ccccc3)cc21 ZINC000303746678 855168928 /nfs/dbraw/zinc/16/89/28/855168928.db2.gz GFAHWGMCSKHGFL-UHFFFAOYSA-N -1 1 420.534 4.377 20 0 HIADMM CSCC[C@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000303780317 855194767 /nfs/dbraw/zinc/19/47/67/855194767.db2.gz OGBCTJMZVSOXBH-HNNXBMFYSA-N -1 1 424.563 4.149 20 0 HIADMM O=S(=O)([N-]Cc1ccc(OCC2CC2)nc1)c1c(Cl)cccc1C(F)(F)F ZINC000303817325 855220332 /nfs/dbraw/zinc/22/03/32/855220332.db2.gz MDOCKLLMJCCKJK-UHFFFAOYSA-N -1 1 420.840 4.021 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(c4cccc(F)c4)CC3)cc2)cc1 ZINC000303838109 855236456 /nfs/dbraw/zinc/23/64/56/855236456.db2.gz PUPDSRMLBBZJFJ-UHFFFAOYSA-N -1 1 424.497 4.354 20 0 HIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccccc1OC(F)(F)F ZINC000303846891 855243367 /nfs/dbraw/zinc/24/33/67/855243367.db2.gz UFVKNOSHLRVMEA-UHFFFAOYSA-N -1 1 404.385 4.125 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC000303849059 855245704 /nfs/dbraw/zinc/24/57/04/855245704.db2.gz FIDDAFIYEPMYID-IAGOWNOFSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000303852093 855247753 /nfs/dbraw/zinc/24/77/53/855247753.db2.gz FVGRDKUXEYSQHU-ROUUACIJSA-N -1 1 400.544 4.447 20 0 HIADMM O=C(Nc1cc(F)c(F)c(F)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000303922477 855292829 /nfs/dbraw/zinc/29/28/29/855292829.db2.gz UIHRNSZEMPBTAV-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=S(=O)([N-][C@@H]1COc2ccccc21)c1c(Cl)cc(Br)cc1Cl ZINC000315572084 855378927 /nfs/dbraw/zinc/37/89/27/855378927.db2.gz KIYBFDWJAULDGX-GFCCVEGCSA-N -1 1 423.115 4.168 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)c(Cl)c2)cc1 ZINC000323465802 855395475 /nfs/dbraw/zinc/39/54/75/855395475.db2.gz DMUHEDSEWHRQKF-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1OCC ZINC000325726046 855405484 /nfs/dbraw/zinc/40/54/84/855405484.db2.gz OMPJABMLLLHGOX-UHFFFAOYSA-N -1 1 418.284 4.186 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(Cl)c1 ZINC000327814795 855420541 /nfs/dbraw/zinc/42/05/41/855420541.db2.gz JBQSHYLJFYLAHI-UHFFFAOYSA-N -1 1 412.197 4.094 20 0 HIADMM CC(C)(CCc1ccccc1)NC(=O)c1cc(I)ccc1[O-] ZINC000389568893 855450723 /nfs/dbraw/zinc/45/07/23/855450723.db2.gz ZWPIHIUANFZCDH-UHFFFAOYSA-N -1 1 409.267 4.138 20 0 HIADMM CCOc1cccc(-c2noc(-c3ccc(I)c([O-])c3)n2)c1 ZINC000389687909 855451431 /nfs/dbraw/zinc/45/14/31/855451431.db2.gz ZIPMUTZWPYQPHH-UHFFFAOYSA-N -1 1 408.195 4.113 20 0 HIADMM COc1ccc2c(c1)CCC[C@@]2(NCc1cc(Br)ccc1F)C(=O)[O-] ZINC000409449394 855484476 /nfs/dbraw/zinc/48/44/76/855484476.db2.gz SBARUXNGPOYJEI-IBGZPJMESA-N -1 1 408.267 4.003 20 0 HIADMM COc1ccc2c(c1)CCC[C@@]2(NCc1cc(F)ccc1Br)C(=O)[O-] ZINC000409449387 855484524 /nfs/dbraw/zinc/48/45/24/855484524.db2.gz LJEZEAUHMVMPAD-IBGZPJMESA-N -1 1 408.267 4.003 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409454461 855487060 /nfs/dbraw/zinc/48/70/60/855487060.db2.gz YFEZFIKNBPUSEJ-UWJYYQICSA-N -1 1 424.298 4.387 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)c(=O)[n-]1 ZINC000409937779 855734120 /nfs/dbraw/zinc/73/41/20/855734120.db2.gz LDUOONDVAMCQHV-SNVBAGLBSA-N -1 1 400.331 4.329 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(-c4nccn4C)c3)c2)n1 ZINC000410327599 855930244 /nfs/dbraw/zinc/93/02/44/855930244.db2.gz RXELYEMQBGKZQM-UHFFFAOYSA-N -1 1 410.524 4.320 20 0 HIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000410414126 855983761 /nfs/dbraw/zinc/98/37/61/855983761.db2.gz PWUXUBAYEVJBGC-UHFFFAOYSA-N -1 1 420.332 4.267 20 0 HIADMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000425955546 856016974 /nfs/dbraw/zinc/01/69/74/856016974.db2.gz SKHMSUOOKGZCPQ-UHFFFAOYSA-N -1 1 408.479 4.435 20 0 HIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cnc([C@@H]2CCCO2)s1 ZINC000426284013 856220972 /nfs/dbraw/zinc/22/09/72/856220972.db2.gz SJQLTBCODULPCR-LBPRGKRZSA-N -1 1 406.920 4.343 20 0 HIADMM CCc1cc(C)c(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)o1 ZINC000426481436 856314622 /nfs/dbraw/zinc/31/46/22/856314622.db2.gz ZTVVQJPHWOTIPA-UHFFFAOYSA-N -1 1 402.447 4.343 20 0 HIADMM Cc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2cc(C(=O)[O-])co2)cc1 ZINC000426699447 856419489 /nfs/dbraw/zinc/41/94/89/856419489.db2.gz JBLJRBLLKPGPDD-UHFFFAOYSA-N -1 1 401.466 4.488 20 0 HIADMM O=C([O-])C[C@H](NCc1cnc(-c2cccs2)s1)c1cnn(-c2ccccc2)c1 ZINC000426724725 856436027 /nfs/dbraw/zinc/43/60/27/856436027.db2.gz VIEWXHUELVLNCO-KRWDZBQOSA-N -1 1 410.524 4.363 20 0 HIADMM CCc1ccc(-c2ccc(CN[C@@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])o2)cc1 ZINC000426730136 856439206 /nfs/dbraw/zinc/43/92/06/856439206.db2.gz JSOXEJOFHWAUAS-NRFANRHFSA-N -1 1 421.493 4.456 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1cc2c(ccc(C)c2C)[nH]1)C(=O)[O-] ZINC000426731378 856441053 /nfs/dbraw/zinc/44/10/53/856441053.db2.gz DXIXMKHMAOBNBX-LJQANCHMSA-N -1 1 417.303 4.471 20 0 HIADMM Cc1ccc(OCc2nc(CN[C@@H](Cc3cccc(Cl)c3)C(=O)[O-])cs2)cc1 ZINC000426738899 856445635 /nfs/dbraw/zinc/44/56/35/856445635.db2.gz ZRILAOSWJPKHTC-IBGZPJMESA-N -1 1 416.930 4.469 20 0 HIADMM O=C([O-])[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(Cl)c(F)c1 ZINC000426757548 856459664 /nfs/dbraw/zinc/45/96/64/856459664.db2.gz DDMOQEJORAAMMS-MRXNPFEDSA-N -1 1 400.233 4.209 20 0 HIADMM O=C([O-])C[C@H](NCc1cncc(Br)c1)c1cc(Cl)cc(Cl)c1 ZINC000426758833 856461334 /nfs/dbraw/zinc/46/13/34/856461334.db2.gz JPDVENRFAFFCIL-AWEZNQCLSA-N -1 1 404.091 4.457 20 0 HIADMM COc1ccccc1[C@@H](NCc1ccc(OCc2cccs2)c(OC)c1)C(=O)[O-] ZINC000426783036 856475989 /nfs/dbraw/zinc/47/59/89/856475989.db2.gz IHTKWTXZBAVMKF-OAQYLSRUSA-N -1 1 413.495 4.260 20 0 HIADMM COc1ccc([C@H](NCc2ccc(Br)cc2SC)C(=O)[O-])cc1F ZINC000426824893 856499628 /nfs/dbraw/zinc/49/96/28/856499628.db2.gz OOXSQPFHPAUKBM-INIZCTEOSA-N -1 1 414.296 4.234 20 0 HIADMM COc1ccc(C(=O)Nc2cccc(CN[C@@H](C(=O)[O-])c3cccc(F)c3)c2)cc1 ZINC000426828763 856503114 /nfs/dbraw/zinc/50/31/14/856503114.db2.gz MLOFCZNEDNWKPB-OAQYLSRUSA-N -1 1 408.429 4.002 20 0 HIADMM COc1cc2c(c(CN[C@@H](CC(=O)[O-])c3cccc(Br)c3)c1)O[C@@H](C)C2 ZINC000426835655 856506253 /nfs/dbraw/zinc/50/62/53/856506253.db2.gz RLYFLZLBUAAXCN-SGTLLEGYSA-N -1 1 420.303 4.087 20 0 HIADMM O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1c(F)ccc([O-])c1F ZINC000426985876 856579593 /nfs/dbraw/zinc/57/95/93/856579593.db2.gz ZJNCKQAWOVGIBZ-UHFFFAOYSA-N -1 1 406.392 4.230 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)NC4CCCC4)cc3)cc2s1 ZINC000427094325 856631992 /nfs/dbraw/zinc/63/19/92/856631992.db2.gz CADPRHWBYAPMHC-UHFFFAOYSA-N -1 1 415.540 4.078 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H]4CCCC[C@@H]4C3)cc2)c1 ZINC000427183322 856696976 /nfs/dbraw/zinc/69/69/76/856696976.db2.gz VEZDMUIBBDLFIQ-BGYRXZFFSA-N -1 1 412.555 4.366 20 0 HIADMM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3ccc(OC(C)C)cc3)cc2F)cn1 ZINC000427294721 856757610 /nfs/dbraw/zinc/75/76/10/856757610.db2.gz GPXQAWOTSIGPFN-UHFFFAOYSA-N -1 1 403.479 4.297 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000427320441 856769639 /nfs/dbraw/zinc/76/96/39/856769639.db2.gz LWJOOEYTZYKBJN-KDURUIRLSA-N -1 1 412.555 4.366 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000427607468 856886339 /nfs/dbraw/zinc/88/63/39/856886339.db2.gz BOPFUNSJVKJNTI-UHFFFAOYSA-N -1 1 416.525 4.112 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccncc4)c(C)c3)cc2)CC1 ZINC000427656339 856898603 /nfs/dbraw/zinc/89/86/03/856898603.db2.gz WLCVSSOOIAYZPT-UHFFFAOYSA-N -1 1 422.506 4.062 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCS[C@@H](C)CC2)c1 ZINC000427920192 857007809 /nfs/dbraw/zinc/00/78/09/857007809.db2.gz AMBWEVJRVIVSLB-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000428043508 857052815 /nfs/dbraw/zinc/05/28/15/857052815.db2.gz PIVDOJNPPQUNST-UHFFFAOYSA-N -1 1 415.446 4.027 20 0 HIADMM Cc1nc(-c2ccc(NC[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)nc2)[n-]c(=O)c1C ZINC000428677817 857294906 /nfs/dbraw/zinc/29/49/06/857294906.db2.gz HJNQOAZTJKQCGS-HYBUGGRVSA-N -1 1 422.504 4.186 20 0 HIADMM Cc1nc(-c2ccc(NC[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)nc2)[n-]c(=O)c1C ZINC000428677816 857295194 /nfs/dbraw/zinc/29/51/94/857295194.db2.gz HJNQOAZTJKQCGS-GBXCKJPGSA-N -1 1 422.504 4.186 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)n1 ZINC000428698494 857300622 /nfs/dbraw/zinc/30/06/22/857300622.db2.gz FKCYUVDXCRZIMX-UHFFFAOYSA-N -1 1 400.529 4.216 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1nc(Cc2ccccc2)no1 ZINC000429857768 857913814 /nfs/dbraw/zinc/91/38/14/857913814.db2.gz GQBPLLSCRIBLCJ-NSHDSACASA-N -1 1 412.298 4.007 20 0 HIADMM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3cncc(Br)c3)c2O1 ZINC000430352265 858130859 /nfs/dbraw/zinc/13/08/59/858130859.db2.gz CZTQYKWGJOUJOS-UHFFFAOYSA-N -1 1 417.712 4.012 20 0 HIADMM O=C(Nc1cccc2c[nH]nc21)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430435579 858161353 /nfs/dbraw/zinc/16/13/53/858161353.db2.gz GDKWWMAJYDNQEY-UHFFFAOYSA-N -1 1 417.650 4.073 20 0 HIADMM C[C@@H]1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000430452656 858172212 /nfs/dbraw/zinc/17/22/12/858172212.db2.gz XZXKXSMUUCVXDW-KDOFPFPSSA-N -1 1 406.935 4.401 20 0 HIADMM CCc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)cc1C(=O)[O-] ZINC000437656308 862992744 /nfs/dbraw/zinc/99/27/44/862992744.db2.gz QJRBAFSTMRPJQG-UHFFFAOYSA-N -1 1 402.497 4.180 20 0 HIADMM CC(C)Oc1ccc(N(C)C(=O)c2ccc(I)c([O-])c2)cc1 ZINC000430545586 858213887 /nfs/dbraw/zinc/21/38/87/858213887.db2.gz NMMSYDFLMQMFFF-UHFFFAOYSA-N -1 1 411.239 4.061 20 0 HIADMM Cc1cccc(S(=O)(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC000430974863 858388208 /nfs/dbraw/zinc/38/82/08/858388208.db2.gz FNJUIWIONDDDBL-UHFFFAOYSA-N -1 1 421.110 4.026 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1nc(C2CCCCC2)no1 ZINC000431304036 858555166 /nfs/dbraw/zinc/55/51/66/858555166.db2.gz CWDOZMODPWGHOO-LLVKDONJSA-N -1 1 401.891 4.090 20 0 HIADMM O=C(COc1ccccc1F)Nc1cc([O-])c(Br)cc1Br ZINC000431458593 858626823 /nfs/dbraw/zinc/62/68/23/858626823.db2.gz LQNVPPRIULIHLX-UHFFFAOYSA-N -1 1 419.044 4.074 20 0 HIADMM COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)CC2 ZINC000431477713 858636300 /nfs/dbraw/zinc/63/63/00/858636300.db2.gz MSDKYSFXBXJTSE-NRFANRHFSA-N -1 1 422.506 4.165 20 0 HIADMM Cc1nc(-c2ccc(N3CC[C@@H](OCCCc4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000431830582 858831110 /nfs/dbraw/zinc/83/11/10/858831110.db2.gz KGAXKNUXTVEEEX-OAQYLSRUSA-N -1 1 404.514 4.089 20 0 HIADMM CCCc1nc(C)c(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)o1 ZINC000431942839 858880581 /nfs/dbraw/zinc/88/05/81/858880581.db2.gz QSUFHSVHFNXBAL-UHFFFAOYSA-N -1 1 417.462 4.128 20 0 HIADMM COc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1Cl ZINC000431999512 858914939 /nfs/dbraw/zinc/91/49/39/858914939.db2.gz DCIQUWRVGCWGLZ-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c(Cl)cncc1Cl ZINC000432007115 858921147 /nfs/dbraw/zinc/92/11/47/858921147.db2.gz NVMKIJANQAIEOP-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000432059597 858957507 /nfs/dbraw/zinc/95/75/07/858957507.db2.gz HJGVYHFWIPLVBE-UHFFFAOYSA-N -1 1 406.660 4.245 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(Br)cc3)c2)n1 ZINC000432196949 859042036 /nfs/dbraw/zinc/04/20/36/859042036.db2.gz UPHUJDGKNFRILQ-UHFFFAOYSA-N -1 1 422.304 4.171 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)ccc2o1 ZINC000432381540 859135268 /nfs/dbraw/zinc/13/52/68/859135268.db2.gz OZMDDLJORRHWKV-UHFFFAOYSA-N -1 1 424.478 4.354 20 0 HIADMM CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1csc(-c2c(F)cccc2F)n1 ZINC000432410594 859150900 /nfs/dbraw/zinc/15/09/00/859150900.db2.gz QCSWAXIUKKFGAC-UHFFFAOYSA-N -1 1 417.363 4.142 20 0 HIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cc(F)cc2nccnc21 ZINC000432586526 859240720 /nfs/dbraw/zinc/24/07/20/859240720.db2.gz DCCHKOQJWZNBKN-HNNXBMFYSA-N -1 1 405.458 4.341 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1)c1ccc(F)cc1 ZINC000432640287 859266584 /nfs/dbraw/zinc/26/65/84/859266584.db2.gz DGBDPSNAQLADJB-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM COC(=O)c1c[n-]c(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)n1 ZINC000432653433 859275231 /nfs/dbraw/zinc/27/52/31/859275231.db2.gz FAJCABPQNOAPJQ-SNVBAGLBSA-N -1 1 412.496 4.427 20 0 HIADMM CCOc1ccccc1NC(=O)[C@@H](Sc1ncc(C(=O)OC)[n-]1)c1ccccc1 ZINC000432663841 859279858 /nfs/dbraw/zinc/27/98/58/859279858.db2.gz BSNHSDLJYMROPX-SFHVURJKSA-N -1 1 411.483 4.067 20 0 HIADMM CCOc1ccccc1NC(=O)[C@@H](Sc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC000432663841 859279865 /nfs/dbraw/zinc/27/98/65/859279865.db2.gz BSNHSDLJYMROPX-SFHVURJKSA-N -1 1 411.483 4.067 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CC3(CCC3)C[C@@H]2C)c1 ZINC000432669527 859282769 /nfs/dbraw/zinc/28/27/69/859282769.db2.gz LBDCCFQILQBFCK-INIZCTEOSA-N -1 1 416.518 4.340 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1C(C)C ZINC000432776457 859354179 /nfs/dbraw/zinc/35/41/79/859354179.db2.gz ODJNFTYEZQSWSN-UHFFFAOYSA-N -1 1 402.516 4.055 20 0 HIADMM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)cc1 ZINC000432779670 859356602 /nfs/dbraw/zinc/35/66/02/859356602.db2.gz KYZGLNXCNASBKG-UHFFFAOYSA-N -1 1 405.426 4.019 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)cc1Cl ZINC000432965023 859452000 /nfs/dbraw/zinc/45/20/00/859452000.db2.gz DGEJKBCRNHWKRE-UHFFFAOYSA-N -1 1 405.907 4.222 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2c(C)cnn2[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000433377150 859664724 /nfs/dbraw/zinc/66/47/24/859664724.db2.gz VFCSBJHIXFMSLK-OAQYLSRUSA-N -1 1 424.570 4.002 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2c(C)cnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000433405896 859682060 /nfs/dbraw/zinc/68/20/60/859682060.db2.gz JUJNEBHYPNJDPP-OAQYLSRUSA-N -1 1 424.570 4.002 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1 ZINC000433498165 859736794 /nfs/dbraw/zinc/73/67/94/859736794.db2.gz UHJQYTAJIKBDFB-KRWDZBQOSA-N -1 1 400.544 4.373 20 0 HIADMM CC1(C)CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCS1 ZINC000433579073 859791201 /nfs/dbraw/zinc/79/12/01/859791201.db2.gz UUJFGYSEVIXONR-UHFFFAOYSA-N -1 1 419.572 4.237 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3csc4ccccc34)c2)n1 ZINC000433595548 859801366 /nfs/dbraw/zinc/80/13/66/859801366.db2.gz JNZRKTKUFGESIM-UHFFFAOYSA-N -1 1 421.482 4.185 20 0 HIADMM CC[C@@](C)([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1nccs1 ZINC000433639913 859820765 /nfs/dbraw/zinc/82/07/65/859820765.db2.gz OXLUULJICXIMGK-LLVKDONJSA-N -1 1 415.787 4.224 20 0 HIADMM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000433651065 859824859 /nfs/dbraw/zinc/82/48/59/859824859.db2.gz TWKNZKXFWBEBMN-YUMQZZPRSA-N -1 1 404.804 4.117 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3ccc(C4CCC4)cc3)c2)n1 ZINC000433827425 859917218 /nfs/dbraw/zinc/91/72/18/859917218.db2.gz YWTAJXNMNAIAER-UHFFFAOYSA-N -1 1 419.485 4.238 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)c1nc(C2CC2)no1 ZINC000433842452 859927903 /nfs/dbraw/zinc/92/79/03/859927903.db2.gz OYHPYWBOHHHPIV-OAHLLOKOSA-N -1 1 411.936 4.491 20 0 HIADMM COc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1Cl ZINC000434040191 860056765 /nfs/dbraw/zinc/05/67/65/860056765.db2.gz BZQRFKMNTFTQNW-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1ccc(NC(=O)CC[C@H]2CCOC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000434224316 860209158 /nfs/dbraw/zinc/20/91/58/860209158.db2.gz ARVZWFXUWLSFJW-HNNXBMFYSA-N -1 1 422.934 4.204 20 0 HIADMM O=C(NC1CCC2(CC2)CC1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000434290348 860255166 /nfs/dbraw/zinc/25/51/66/860255166.db2.gz WXAXTDGWRBICCR-UHFFFAOYSA-N -1 1 402.491 4.079 20 0 HIADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000434347401 860304617 /nfs/dbraw/zinc/30/46/17/860304617.db2.gz VUAVLSAHISBKJP-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM Cc1nc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1 ZINC000434364995 860314604 /nfs/dbraw/zinc/31/46/04/860314604.db2.gz YSRHRBIFFVDDCW-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCC[C@@H](NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000434778911 860492790 /nfs/dbraw/zinc/49/27/90/860492790.db2.gz SMUBSZLIDFGJFC-IEBWSBKVSA-N -1 1 415.950 4.333 20 0 HIADMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)[nH]n2)cc1C ZINC000434966960 860578950 /nfs/dbraw/zinc/57/89/50/860578950.db2.gz DDSSSLLRQKHJEI-UHFFFAOYSA-N -1 1 424.526 4.078 20 0 HIADMM Brc1ccc(-c2nnc(SCc3nn[n-]n3)n2C2CCCCC2)cc1 ZINC000435197845 860691888 /nfs/dbraw/zinc/69/18/88/860691888.db2.gz VFOBUKPCIWFKHZ-UHFFFAOYSA-N -1 1 420.340 4.018 20 0 HIADMM CS[C@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC000435390944 860782301 /nfs/dbraw/zinc/78/23/01/860782301.db2.gz UUACULGFQKTKDD-IBGZPJMESA-N -1 1 418.584 4.154 20 0 HIADMM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435425158 860795422 /nfs/dbraw/zinc/79/54/22/860795422.db2.gz CEDPJPGEBPNZBX-UHFFFAOYSA-N -1 1 416.305 4.159 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435428882 860796252 /nfs/dbraw/zinc/79/62/52/860796252.db2.gz UWXQPBYZAJGSGE-BBRMVZONSA-N -1 1 422.280 4.470 20 0 HIADMM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435437164 860797909 /nfs/dbraw/zinc/79/79/09/860797909.db2.gz IOTBJBIJBZQMPX-HWPZZCPQSA-N -1 1 422.305 4.196 20 0 HIADMM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435437165 860799047 /nfs/dbraw/zinc/79/90/47/860799047.db2.gz IOTBJBIJBZQMPX-MGPLVRAMSA-N -1 1 422.305 4.196 20 0 HIADMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000435485342 860816098 /nfs/dbraw/zinc/81/60/98/860816098.db2.gz VSRVXOOQJIFAGM-UHFFFAOYSA-N -1 1 419.400 4.047 20 0 HIADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000435604058 860907102 /nfs/dbraw/zinc/90/71/02/860907102.db2.gz BXHGVDDFDRBGHN-RTFZILSDSA-N -1 1 420.534 4.153 20 0 HIADMM CCOc1cccc2[nH]cc(C=C([O-])Nc3nc(-c4ccccc4Cl)ns3)c21 ZINC000437837143 863191595 /nfs/dbraw/zinc/19/15/95/863191595.db2.gz DLAZJXVQDKXBTQ-UHFFFAOYSA-N -1 1 412.902 4.342 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc(F)c(F)cc1F ZINC000437920908 863298124 /nfs/dbraw/zinc/29/81/24/863298124.db2.gz HWPKSARHVZROKY-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM CC1=CCCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C1 ZINC000437958728 863330795 /nfs/dbraw/zinc/33/07/95/863330795.db2.gz WYKYNKFDPCGOAI-UHFFFAOYSA-N -1 1 415.287 4.199 20 0 HIADMM Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)o1 ZINC000438051403 863418411 /nfs/dbraw/zinc/41/84/11/863418411.db2.gz GXPMUNHHMFLWME-UHFFFAOYSA-N -1 1 423.853 4.137 20 0 HIADMM CSC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438058543 863429751 /nfs/dbraw/zinc/42/97/51/863429751.db2.gz MGNPZXQKGNJMRT-LLVKDONJSA-N -1 1 416.927 4.218 20 0 HIADMM CCOc1cc(C(=O)N(CCc2ccccn2)Cc2ccncc2)cc(Cl)c1[O-] ZINC000438095984 863501456 /nfs/dbraw/zinc/50/14/56/863501456.db2.gz JBKKCRVRTXQLFD-UHFFFAOYSA-N -1 1 411.889 4.119 20 0 HIADMM CN(CCC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000438096470 863502460 /nfs/dbraw/zinc/50/24/60/863502460.db2.gz JIFKLXCRHLZULK-UHFFFAOYSA-N -1 1 410.898 4.152 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1(Cc2ccccc2)CC1 ZINC000438543682 863972152 /nfs/dbraw/zinc/97/21/52/863972152.db2.gz DHHDEQNFHHDRBP-UHFFFAOYSA-N -1 1 406.507 4.449 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3cccc(-c4nc[nH]n4)c3)cc2s1 ZINC000438760775 864255666 /nfs/dbraw/zinc/25/56/66/864255666.db2.gz XUGUPCGSXMPXCC-UHFFFAOYSA-N -1 1 413.528 4.180 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1 ZINC000438764932 864259719 /nfs/dbraw/zinc/25/97/19/864259719.db2.gz QFSHHRORBCMNND-UHFFFAOYSA-N -1 1 412.467 4.171 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1 ZINC000438773304 864268123 /nfs/dbraw/zinc/26/81/23/864268123.db2.gz OYIQORUULWLJOK-UHFFFAOYSA-N -1 1 417.527 4.132 20 0 HIADMM O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)C(=O)c1ccc([O-])cc1 ZINC000438772255 864268141 /nfs/dbraw/zinc/26/81/41/864268141.db2.gz MZLQCJGUKUBVLU-UHFFFAOYSA-N -1 1 406.385 4.280 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)cc1 ZINC000438774254 864269277 /nfs/dbraw/zinc/26/92/77/864269277.db2.gz DODHWTYEZORNPH-MHZLTWQESA-N -1 1 421.584 4.373 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(COCC(F)(F)C(F)F)c1 ZINC000438788539 864280924 /nfs/dbraw/zinc/28/09/24/864280924.db2.gz VRANHWDRPFXHCR-UHFFFAOYSA-N -1 1 409.376 4.352 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1Br ZINC000438796247 864288544 /nfs/dbraw/zinc/28/85/44/864288544.db2.gz XSRCZTIZLOXWKI-UHFFFAOYSA-N -1 1 410.333 4.485 20 0 HIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccc(F)c(Br)c1 ZINC000438800341 864291231 /nfs/dbraw/zinc/29/12/31/864291231.db2.gz MDHQLCMRDKJPIL-UHFFFAOYSA-N -1 1 411.252 4.408 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1Cl ZINC000438804321 864296358 /nfs/dbraw/zinc/29/63/58/864296358.db2.gz WRAOXDDXCSAHJL-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(F)c(Br)c1 ZINC000438807759 864299036 /nfs/dbraw/zinc/29/90/36/864299036.db2.gz FMUXAOCBQRAYGX-UHFFFAOYSA-N -1 1 407.264 4.451 20 0 HIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000438812782 864303981 /nfs/dbraw/zinc/30/39/81/864303981.db2.gz QCVOLKQXSOBBRD-UHFFFAOYSA-N -1 1 402.285 4.314 20 0 HIADMM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438813347 864305767 /nfs/dbraw/zinc/30/57/67/864305767.db2.gz XEITZMRNVVDXNJ-UHFFFAOYSA-N -1 1 407.692 4.108 20 0 HIADMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)no1 ZINC000438893360 864374567 /nfs/dbraw/zinc/37/45/67/864374567.db2.gz BMKQLBCCNSYLRO-UHFFFAOYSA-N -1 1 413.886 4.330 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@H](C)C3(C)CC3)c2)c1 ZINC000439024602 864479215 /nfs/dbraw/zinc/47/92/15/864479215.db2.gz UTYMUGVXYDJFJM-QGZVFWFLSA-N -1 1 400.544 4.365 20 0 HIADMM O=C(CC1(O)CCCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000467926843 881800781 /nfs/dbraw/zinc/80/07/81/881800781.db2.gz MDTSXQUOCJOKHL-UHFFFAOYSA-N -1 1 422.934 4.165 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cscc3C)cc2)cc1 ZINC000439607613 864929934 /nfs/dbraw/zinc/92/99/34/864929934.db2.gz SRLVSNRIAMRMPG-UHFFFAOYSA-N -1 1 402.497 4.118 20 0 HIADMM CC(C)(CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)Cc1ccc(Cl)cc1 ZINC000439761112 865086672 /nfs/dbraw/zinc/08/66/72/865086672.db2.gz YHIJLTJSXSYXOY-UHFFFAOYSA-N -1 1 412.914 4.448 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nncn2C(C)C)ccc1OC(C)C ZINC000439869464 865177550 /nfs/dbraw/zinc/17/75/50/865177550.db2.gz CVNOEXYHSHAUCV-UHFFFAOYSA-N -1 1 414.531 4.422 20 0 HIADMM CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000439874017 865184141 /nfs/dbraw/zinc/18/41/41/865184141.db2.gz VUKCJDXCKDSSIR-UHFFFAOYSA-N -1 1 424.448 4.487 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)cc1Cl ZINC000440093085 865353904 /nfs/dbraw/zinc/35/39/04/865353904.db2.gz RKLHVFJAWQTKCV-UHFFFAOYSA-N -1 1 404.841 4.327 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC[C@H]3CC[C@@H](C)O3)ccc2C)c1 ZINC000440383971 865676092 /nfs/dbraw/zinc/67/60/92/865676092.db2.gz ICOQMMNRDPZVHS-YLJYHZDGSA-N -1 1 416.543 4.390 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000440401877 865692394 /nfs/dbraw/zinc/69/23/94/865692394.db2.gz GCKAHHFYQFMGQW-HOCLYGCPSA-N -1 1 404.507 4.196 20 0 HIADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000440413504 865708183 /nfs/dbraw/zinc/70/81/83/865708183.db2.gz XHMOCGVQCTYMDY-HUUCEWRRSA-N -1 1 406.935 4.401 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1Cl ZINC000440808933 865928265 /nfs/dbraw/zinc/92/82/65/865928265.db2.gz NGZGEQMRHLMGDW-UHFFFAOYSA-N -1 1 418.858 4.115 20 0 HIADMM CCOCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000440816055 865932652 /nfs/dbraw/zinc/93/26/52/865932652.db2.gz XKQOPTKCRHTZKZ-QFIPXVFZSA-N -1 1 418.493 4.325 20 0 HIADMM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000468142549 881998306 /nfs/dbraw/zinc/99/83/06/881998306.db2.gz VYOQCWYDXHSYEL-INIZCTEOSA-N -1 1 421.545 4.310 20 0 HIADMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)C(C)C)cc3)cc2)n1 ZINC000441727261 866822712 /nfs/dbraw/zinc/82/27/12/866822712.db2.gz KESJFRVLEZAVII-UHFFFAOYSA-N -1 1 411.483 4.217 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000442033926 867077167 /nfs/dbraw/zinc/07/71/67/867077167.db2.gz STZGNIPYXLGPHH-QFIPXVFZSA-N -1 1 422.506 4.048 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc(C)c1Cl ZINC000442219680 867243933 /nfs/dbraw/zinc/24/39/33/867243933.db2.gz CKTBPHLEEKJBJE-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc(Cl)c1[O-] ZINC000442741693 867659079 /nfs/dbraw/zinc/65/90/79/867659079.db2.gz VVJZXHBPADZWOJ-ZDUSSCGKSA-N -1 1 402.878 4.321 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000442849849 867696756 /nfs/dbraw/zinc/69/67/56/867696756.db2.gz OHCWBCNLWNVASL-UHFFFAOYSA-N -1 1 401.937 4.021 20 0 HIADMM COc1cc(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)cc(Cl)c1[O-] ZINC000442860656 867702680 /nfs/dbraw/zinc/70/26/80/867702680.db2.gz CIQZLVXNMWCCNP-ZDUSSCGKSA-N -1 1 409.313 4.227 20 0 HIADMM COc1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000442976569 867772707 /nfs/dbraw/zinc/77/27/07/867772707.db2.gz MGZMPISLTCYQOT-UHFFFAOYSA-N -1 1 410.232 4.344 20 0 HIADMM COc1cc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc(Cl)c1[O-] ZINC000442984475 867778093 /nfs/dbraw/zinc/77/80/93/867778093.db2.gz SYLQKDQRTOFCQE-UHFFFAOYSA-N -1 1 407.857 4.323 20 0 HIADMM COc1ccc(CCN(CC(C)C)C(=O)c2cc(Cl)c([O-])c(OC)c2)cc1OC ZINC000442984169 867778112 /nfs/dbraw/zinc/77/81/12/867778112.db2.gz RSFVPIVTKZTALR-UHFFFAOYSA-N -1 1 421.921 4.412 20 0 HIADMM CCOc1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc(Cl)c1[O-] ZINC000443087760 867816228 /nfs/dbraw/zinc/81/62/28/867816228.db2.gz LDZPLVLRZGVHBB-UHFFFAOYSA-N -1 1 406.822 4.187 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000443400531 867958992 /nfs/dbraw/zinc/95/89/92/867958992.db2.gz QUJUITKOOHMSPE-UHFFFAOYSA-N -1 1 420.874 4.385 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc4[nH]c(=O)oc43)n2)cc(Br)c1[O-] ZINC000443405910 867987510 /nfs/dbraw/zinc/98/75/10/867987510.db2.gz YFLMXFWIAYORFF-UHFFFAOYSA-N -1 1 418.203 4.117 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)c(F)c1)c1ccc2ncsc2c1 ZINC000443424158 868006969 /nfs/dbraw/zinc/00/69/69/868006969.db2.gz UBIMXKYDYKVOIE-UHFFFAOYSA-N -1 1 406.382 4.177 20 0 HIADMM O=C(CCc1ccc(F)cc1F)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000443474793 868060859 /nfs/dbraw/zinc/06/08/59/868060859.db2.gz OZKZLXHWRGUDTP-UHFFFAOYSA-N -1 1 416.449 4.337 20 0 HIADMM C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1ccccc1 ZINC000443531813 868089427 /nfs/dbraw/zinc/08/94/27/868089427.db2.gz RIEVJBCUASHKQJ-INIZCTEOSA-N -1 1 421.522 4.179 20 0 HIADMM CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(O)c1 ZINC000443535156 868093489 /nfs/dbraw/zinc/09/34/89/868093489.db2.gz ZOXOPTFOUBWNOC-UHFFFAOYSA-N -1 1 417.405 4.208 20 0 HIADMM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)CCC2 ZINC000443761370 868325530 /nfs/dbraw/zinc/32/55/30/868325530.db2.gz YJLQHIQAZKIUFS-JTQLQIEISA-N -1 1 408.738 4.008 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCOC[C@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000443923719 868461327 /nfs/dbraw/zinc/46/13/27/868461327.db2.gz JCHOQLDCFFVXPR-KDOFPFPSSA-N -1 1 422.934 4.060 20 0 HIADMM COc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)ccc1F ZINC000444319095 868747920 /nfs/dbraw/zinc/74/79/20/868747920.db2.gz OSQGXKDMLVIXTF-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)c2)cs1 ZINC000444383489 868802669 /nfs/dbraw/zinc/80/26/69/868802669.db2.gz RJDVMKLPPOYWMZ-UHFFFAOYSA-N -1 1 424.526 4.467 20 0 HIADMM CCCC1(CNC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCC1 ZINC000468308570 882233451 /nfs/dbraw/zinc/23/34/51/882233451.db2.gz MVJXSLSLRRSJGH-UHFFFAOYSA-N -1 1 415.559 4.257 20 0 HIADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(-c3ccccc3Cl)n2)s1 ZINC000444474054 868844492 /nfs/dbraw/zinc/84/44/92/868844492.db2.gz IVBCHGJLIUWYHO-UHFFFAOYSA-N -1 1 402.892 4.266 20 0 HIADMM CCOc1ccc(Cc2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000445391889 869477096 /nfs/dbraw/zinc/47/70/96/869477096.db2.gz LQAHKTBSTMDNGI-UHFFFAOYSA-N -1 1 405.248 4.203 20 0 HIADMM COc1cc(-c2noc(COc3ccc(C)cc3C)n2)cc(Br)c1[O-] ZINC000445394086 869480237 /nfs/dbraw/zinc/48/02/37/869480237.db2.gz SCHDUHJWTMESJE-UHFFFAOYSA-N -1 1 405.248 4.409 20 0 HIADMM COc1cc(-c2noc(CSC[C@@H]3CCCCO3)n2)cc(Br)c1[O-] ZINC000445396646 869482978 /nfs/dbraw/zinc/48/29/78/869482978.db2.gz XWDVQBGIRMRJMI-NSHDSACASA-N -1 1 415.309 4.016 20 0 HIADMM COc1cc(-c2noc([C@H](C)Oc3ccccc3F)n2)cc(Br)c1[O-] ZINC000445407095 869492156 /nfs/dbraw/zinc/49/21/56/869492156.db2.gz YDRKEURWSXKJFB-VIFPVBQESA-N -1 1 409.211 4.492 20 0 HIADMM CCOC(=O)c1cnc(C)c(-c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)c1 ZINC000445409248 869493408 /nfs/dbraw/zinc/49/34/08/869493408.db2.gz BLJSBMYLRLFJFH-UHFFFAOYSA-N -1 1 403.822 4.041 20 0 HIADMM CCOc1cc(-c2noc(-c3nc(C)n(-c4ccc(F)cc4)n3)n2)cc(Cl)c1[O-] ZINC000445421903 869505190 /nfs/dbraw/zinc/50/51/90/869505190.db2.gz ZYNQNNXDFLMYSE-UHFFFAOYSA-N -1 1 415.812 4.190 20 0 HIADMM CCOc1cc(-c2noc(CCc3nc(-c4ccsc4)no3)n2)cc(Cl)c1[O-] ZINC000445422654 869506256 /nfs/dbraw/zinc/50/62/56/869506256.db2.gz PHUCBFVUUSRVPN-UHFFFAOYSA-N -1 1 418.862 4.391 20 0 HIADMM CCOc1cc(-c2noc(CCCc3nc(C(C)(C)C)no3)n2)cc(Cl)c1[O-] ZINC000445432945 869517770 /nfs/dbraw/zinc/51/77/70/869517770.db2.gz VOVKEEWLTVXGSG-UHFFFAOYSA-N -1 1 406.870 4.350 20 0 HIADMM O=C(Nc1nc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cs1)c1ccccc1 ZINC000445445493 869526654 /nfs/dbraw/zinc/52/66/54/869526654.db2.gz MBAHDJGSZQSPDX-UHFFFAOYSA-N -1 1 412.858 4.395 20 0 HIADMM O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000445445212 869526720 /nfs/dbraw/zinc/52/67/20/869526720.db2.gz IIJQUVSHWFNMQU-AWEZNQCLSA-N -1 1 415.852 4.183 20 0 HIADMM O=c1[nH]c(CSCCc2nc(-c3ccc([O-])cc3Cl)no2)nc2ccccc12 ZINC000445448627 869528623 /nfs/dbraw/zinc/52/86/23/869528623.db2.gz SJGNBZQLKBZZHQ-UHFFFAOYSA-N -1 1 414.874 4.220 20 0 HIADMM CCc1ccc(C(=O)N2CCC(c3nc(-c4ccc([O-])cc4Cl)no3)CC2)o1 ZINC000445451331 869531370 /nfs/dbraw/zinc/53/13/70/869531370.db2.gz DFNCENRSXWWNIK-UHFFFAOYSA-N -1 1 401.850 4.271 20 0 HIADMM O=C1C[C@H](c2nc(-c3ccc([O-])cc3F)no2)CN1c1cc(Cl)cc(Cl)c1 ZINC000445460727 869537149 /nfs/dbraw/zinc/53/71/49/869537149.db2.gz BUKSWPCKDBTYAX-VIFPVBQESA-N -1 1 408.216 4.409 20 0 HIADMM CCn1c(SCc2nc(-c3ccc([O-])cc3F)no2)nnc1-c1cccc(C)c1 ZINC000445463723 869539640 /nfs/dbraw/zinc/53/96/40/869539640.db2.gz QBADRZPHNKGRAO-UHFFFAOYSA-N -1 1 411.462 4.460 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc([C@@H]3CCCOC3)no2)c1 ZINC000445529590 869586731 /nfs/dbraw/zinc/58/67/31/869586731.db2.gz UTROANBBVRKTRD-CQSZACIVSA-N -1 1 419.890 4.085 20 0 HIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000468376187 882320641 /nfs/dbraw/zinc/32/06/41/882320641.db2.gz ZYQCECJYSZDJBO-UHFFFAOYSA-N -1 1 409.573 4.324 20 0 HIADMM COc1cnccc1-c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000445625093 869689903 /nfs/dbraw/zinc/68/99/03/869689903.db2.gz SGQNJEBCQGGWLG-UHFFFAOYSA-N -1 1 424.363 4.043 20 0 HIADMM O=C(C[C@@H]1CCCCO1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000445644233 869715533 /nfs/dbraw/zinc/71/55/33/869715533.db2.gz QEOKCIBSKPQFRT-KRWDZBQOSA-N -1 1 408.907 4.039 20 0 HIADMM COc1cc(Cl)ccc1-c1noc(CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000445671082 869741523 /nfs/dbraw/zinc/74/15/23/869741523.db2.gz AXNKBKBXFBGSAE-UHFFFAOYSA-N -1 1 423.860 4.050 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(C(C)(C)c2ccccc2Cl)no1 ZINC000445680762 869750748 /nfs/dbraw/zinc/75/07/48/869750748.db2.gz DUXUQCJGVZFSDV-LLVKDONJSA-N -1 1 411.936 4.150 20 0 HIADMM C[C@@H](NC(=O)Cc1noc(-c2cc(F)ccc2[O-])n1)c1ccc(Cl)cc1Cl ZINC000445764567 869809070 /nfs/dbraw/zinc/80/90/70/869809070.db2.gz JOWYLOHVWXRLQC-SECBINFHSA-N -1 1 410.232 4.308 20 0 HIADMM CCSc1ccc(-c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)cc1 ZINC000445767844 869811793 /nfs/dbraw/zinc/81/17/93/869811793.db2.gz UXDJFZCWZQEXEJ-UHFFFAOYSA-N -1 1 419.510 4.500 20 0 HIADMM CCc1noc(C)c1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)n1 ZINC000445807083 869833076 /nfs/dbraw/zinc/83/30/76/869833076.db2.gz DXFFRDYWHQRALF-UHFFFAOYSA-N -1 1 424.482 4.372 20 0 HIADMM O=C(Cc1ccc(F)cc1F)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000445830238 869849703 /nfs/dbraw/zinc/84/97/03/869849703.db2.gz RUTLZNCBTWZIBM-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM O=C(Cc1c(F)cccc1F)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000445830170 869849836 /nfs/dbraw/zinc/84/98/36/869849836.db2.gz QWINQJKFFWGJIB-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM COc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000446676768 870591675 /nfs/dbraw/zinc/59/16/75/870591675.db2.gz MKVDCQZHQWUVIJ-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CCC1(CC)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)C1 ZINC000446701309 870616774 /nfs/dbraw/zinc/61/67/74/870616774.db2.gz MFIXQDOQRGJROV-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM O=S(=O)(Cc1ccc(C2CCC2)cc1)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000447201589 871094013 /nfs/dbraw/zinc/09/40/13/871094013.db2.gz UISQLFDSUOGAAN-UHFFFAOYSA-N -1 1 417.918 4.279 20 0 HIADMM O=S(=O)(Cc1ccc(C2CCC2)cc1)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000447201589 871094029 /nfs/dbraw/zinc/09/40/29/871094029.db2.gz UISQLFDSUOGAAN-UHFFFAOYSA-N -1 1 417.918 4.279 20 0 HIADMM Cn1c(=O)ccc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)cc21 ZINC000447263707 871144731 /nfs/dbraw/zinc/14/47/31/871144731.db2.gz KGXVBAKFWFYDRS-UHFFFAOYSA-N -1 1 416.808 4.012 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)cc1OC(C)C ZINC000447272058 871159397 /nfs/dbraw/zinc/15/93/97/871159397.db2.gz USKLJZVVUYFCSP-MRXNPFEDSA-N -1 1 423.506 4.137 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc2ncccc2c1 ZINC000447274020 871161358 /nfs/dbraw/zinc/16/13/58/871161358.db2.gz YJUQMVGWRWAKOJ-UHFFFAOYSA-N -1 1 420.372 4.104 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)N(C)C(C)C ZINC000447277897 871169980 /nfs/dbraw/zinc/16/99/80/871169980.db2.gz LEAHNZWBMTZHRO-UHFFFAOYSA-N -1 1 414.449 4.295 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccccc2F)nc1)c1ccc(OCC(F)F)cc1 ZINC000447278073 871170766 /nfs/dbraw/zinc/17/07/66/871170766.db2.gz LMZPKBVIZUKUMT-UHFFFAOYSA-N -1 1 424.400 4.458 20 0 HIADMM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)cc2NC1=O ZINC000447345662 871246954 /nfs/dbraw/zinc/24/69/54/871246954.db2.gz PEYDGJMHJZFCRK-LLVKDONJSA-N -1 1 402.859 4.013 20 0 HIADMM CC1(C)CCCC[C@@H]1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000447477134 871365168 /nfs/dbraw/zinc/36/51/68/871365168.db2.gz FZHBQNPYTXJNLE-LJQANCHMSA-N -1 1 400.544 4.320 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccccc2F)n1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447488346 871371338 /nfs/dbraw/zinc/37/13/38/871371338.db2.gz LTVSUMRATJKOKX-UHFFFAOYSA-N -1 1 417.462 4.452 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccccc2F)n1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447488346 871371355 /nfs/dbraw/zinc/37/13/55/871371355.db2.gz LTVSUMRATJKOKX-UHFFFAOYSA-N -1 1 417.462 4.452 20 0 HIADMM Cc1cc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000447635345 871547083 /nfs/dbraw/zinc/54/70/83/871547083.db2.gz ZRVGTLPQZHXRJB-JOCHJYFZSA-N -1 1 420.484 4.256 20 0 HIADMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1c(O)cccc1F ZINC000447634280 871547942 /nfs/dbraw/zinc/54/79/42/871547942.db2.gz NZKGEMFYWWHDGS-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447778797 871707924 /nfs/dbraw/zinc/70/79/24/871707924.db2.gz RKTPAXUQDKQKSN-UHFFFAOYSA-N -1 1 401.406 4.155 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447780812 871710665 /nfs/dbraw/zinc/71/06/65/871710665.db2.gz YXZVSDLMSDQZII-UHFFFAOYSA-N -1 1 416.421 4.131 20 0 HIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)ccc2C)n1 ZINC000447786964 871719446 /nfs/dbraw/zinc/71/94/46/871719446.db2.gz IFLODBCUFLNJKV-UHFFFAOYSA-N -1 1 412.389 4.500 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447791511 871727262 /nfs/dbraw/zinc/72/72/62/871727262.db2.gz KODQOKZAPSZEMV-UHFFFAOYSA-N -1 1 418.412 4.127 20 0 HIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)c2)n1 ZINC000447796857 871735315 /nfs/dbraw/zinc/73/53/15/871735315.db2.gz YEGVFASDEKUVAL-UHFFFAOYSA-N -1 1 411.405 4.030 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1 ZINC000448037845 871870749 /nfs/dbraw/zinc/87/07/49/871870749.db2.gz GLMVEZXDVFXGMN-UHFFFAOYSA-N -1 1 424.526 4.065 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000448051312 871881812 /nfs/dbraw/zinc/88/18/12/871881812.db2.gz ZGWPWTMWIJEICU-UHFFFAOYSA-N -1 1 414.508 4.394 20 0 HIADMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)c2)n1C ZINC000448133066 872006472 /nfs/dbraw/zinc/00/64/72/872006472.db2.gz TZJOZQUDZGKRMW-UHFFFAOYSA-N -1 1 412.902 4.398 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Br)c(Cl)c2)c(=O)[n-]1 ZINC000448197006 872083091 /nfs/dbraw/zinc/08/30/91/872083091.db2.gz CBNIHLLSHRLCSI-UHFFFAOYSA-N -1 1 416.728 4.200 20 0 HIADMM COc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000460130289 872612341 /nfs/dbraw/zinc/61/23/41/872612341.db2.gz VEHKHRBPYFOPJA-WMLDXEAASA-N -1 1 400.233 4.107 20 0 HIADMM COc1cc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc(Cl)c1[O-] ZINC000460185480 872750191 /nfs/dbraw/zinc/75/01/91/872750191.db2.gz UBCTWCFZFIXJLG-UHFFFAOYSA-N -1 1 421.884 4.382 20 0 HIADMM CCCC[C@@H](C)N(C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000460359511 872986274 /nfs/dbraw/zinc/98/62/74/872986274.db2.gz GJAWVKXDDXZAAD-MRXNPFEDSA-N -1 1 421.538 4.347 20 0 HIADMM CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000460421707 873081836 /nfs/dbraw/zinc/08/18/36/873081836.db2.gz CWORQEBYFAYTOH-HNNXBMFYSA-N -1 1 407.495 4.480 20 0 HIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)nc1-c1ccccc1 ZINC000460448188 873119786 /nfs/dbraw/zinc/11/97/86/873119786.db2.gz KTXPKMRFRXRNCX-OAHLLOKOSA-N -1 1 411.502 4.436 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccc(F)cn4)no3)cc2)c1C ZINC000460647193 873387984 /nfs/dbraw/zinc/38/79/84/873387984.db2.gz LXSKCXUMFKVHHK-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1 ZINC000460820259 873702116 /nfs/dbraw/zinc/70/21/16/873702116.db2.gz MXNMQIUURHZNEX-UHFFFAOYSA-N -1 1 403.422 4.008 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)C)sc3c2)cc1 ZINC000460827246 873712987 /nfs/dbraw/zinc/71/29/87/873712987.db2.gz ATAILIPOEAHZIA-UHFFFAOYSA-N -1 1 403.529 4.203 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460831994 873719251 /nfs/dbraw/zinc/71/92/51/873719251.db2.gz MLZNSNPDTGHDFJ-CQSZACIVSA-N -1 1 418.534 4.424 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1 ZINC000460833021 873721421 /nfs/dbraw/zinc/72/14/21/873721421.db2.gz WZFUQGSRYKKVAK-UHFFFAOYSA-N -1 1 406.479 4.296 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000461300334 874305946 /nfs/dbraw/zinc/30/59/46/874305946.db2.gz JAHFSVKRWQJRQY-BTYIYWSLSA-N -1 1 420.488 4.234 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000461300335 874306412 /nfs/dbraw/zinc/30/64/12/874306412.db2.gz JAHFSVKRWQJRQY-QVKFZJNVSA-N -1 1 420.488 4.234 20 0 HIADMM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1 ZINC000461342993 874353061 /nfs/dbraw/zinc/35/30/61/874353061.db2.gz PHGGBERGDBTCLU-UHFFFAOYSA-N -1 1 412.433 4.047 20 0 HIADMM CCSc1cc(Cl)ccc1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000461347463 874356138 /nfs/dbraw/zinc/35/61/38/874356138.db2.gz CTVHXOASDHULBI-UHFFFAOYSA-N -1 1 414.936 4.084 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000461487050 874550042 /nfs/dbraw/zinc/55/00/42/874550042.db2.gz GUQCWLQFUUPGLC-HRAATJIYSA-N -1 1 416.518 4.340 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1nc(C2CCCCC2)no1 ZINC000462108244 875214946 /nfs/dbraw/zinc/21/49/46/875214946.db2.gz LAAIVUWKQBOJQQ-SECBINFHSA-N -1 1 409.455 4.237 20 0 HIADMM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000462315521 875435805 /nfs/dbraw/zinc/43/58/05/875435805.db2.gz JARJQJKYFCIUPC-DOTOQJQBSA-N -1 1 419.852 4.376 20 0 HIADMM CC[C@@H](C)c1ccc([C@@H]([N-]S(=O)(=O)c2scnc2C(=O)OC)C(C)C)cc1 ZINC000462709504 875793168 /nfs/dbraw/zinc/79/31/68/875793168.db2.gz UMTIZRUZWVRZSA-CJNGLKHVSA-N -1 1 410.561 4.119 20 0 HIADMM CCN(CC(C)(C)C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000463007481 876021642 /nfs/dbraw/zinc/02/16/42/876021642.db2.gz FMZUHJBHVMFKBX-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nc(CC2CC(C)(C)C2)no1 ZINC000463170537 876226884 /nfs/dbraw/zinc/22/68/84/876226884.db2.gz HDWNBLWZGBVGIJ-NSHDSACASA-N -1 1 417.453 4.107 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000463218134 876276245 /nfs/dbraw/zinc/27/62/45/876276245.db2.gz IVDVSEDCNUQEJI-QGZVFWFLSA-N -1 1 408.546 4.304 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1SCCc2ccccc21 ZINC000463385479 876439594 /nfs/dbraw/zinc/43/95/94/876439594.db2.gz BGQGARAJVRCTIK-OAQYLSRUSA-N -1 1 424.547 4.457 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2C)cc1Cl ZINC000463515161 876580246 /nfs/dbraw/zinc/58/02/46/876580246.db2.gz TTXKFXGFMQYKKF-UHFFFAOYSA-N -1 1 424.975 4.407 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(Cl)c2)cc1Cl ZINC000463521194 876588191 /nfs/dbraw/zinc/58/81/91/876588191.db2.gz GUKFBSKIVHAFJJ-UHFFFAOYSA-N -1 1 419.355 4.218 20 0 HIADMM O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000468987247 883053902 /nfs/dbraw/zinc/05/39/02/883053902.db2.gz QPEUFUVXUCSQEJ-UHFFFAOYSA-N -1 1 421.806 4.057 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(SC)c(Cl)c3)cc2)o1 ZINC000463786169 876904896 /nfs/dbraw/zinc/90/48/96/876904896.db2.gz BKCYRNQPKZCNLV-UHFFFAOYSA-N -1 1 409.920 4.475 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3c2cccc3-c2ccccc2)o1 ZINC000463925383 877045654 /nfs/dbraw/zinc/04/56/54/877045654.db2.gz XPIYCKYBLVRZSG-UHFFFAOYSA-N -1 1 424.522 4.226 20 0 HIADMM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000464040675 877180024 /nfs/dbraw/zinc/18/00/24/877180024.db2.gz JJQBFSOWQJNZGL-NHCUHLMSSA-N -1 1 406.530 4.087 20 0 HIADMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000464206362 877376959 /nfs/dbraw/zinc/37/69/59/877376959.db2.gz LCYDWSHBYXTKQY-UHFFFAOYSA-N -1 1 407.739 4.309 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CC(F)(F)F)ccc2C)cc1 ZINC000464277845 877463736 /nfs/dbraw/zinc/46/37/36/877463736.db2.gz SBZQMHCHTPFNDE-AWEZNQCLSA-N -1 1 414.449 4.175 20 0 HIADMM CCC(CC)[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000464307051 877497609 /nfs/dbraw/zinc/49/76/09/877497609.db2.gz MRBKSVFVQAXESQ-JOCHJYFZSA-N -1 1 404.514 4.389 20 0 HIADMM O=S(=O)([N-]Cc1cc(Oc2ccc(F)cc2)ccn1)c1c(F)cccc1Cl ZINC000464411466 877616895 /nfs/dbraw/zinc/61/68/95/877616895.db2.gz PSSWEFXDHMQDFL-UHFFFAOYSA-N -1 1 410.829 4.284 20 0 HIADMM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000464533073 877749285 /nfs/dbraw/zinc/74/92/85/877749285.db2.gz QQRCOEYJZLFYQV-DYESRHJHSA-N -1 1 416.543 4.411 20 0 HIADMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)cc1Cl ZINC000464538439 877754109 /nfs/dbraw/zinc/75/41/09/877754109.db2.gz OAMUHMUSZRSPTO-UHFFFAOYSA-N -1 1 406.287 4.210 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000464593483 877819670 /nfs/dbraw/zinc/81/96/70/877819670.db2.gz OJZHXYGQMHBZPC-QFIPXVFZSA-N -1 1 400.544 4.448 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000464602540 877831765 /nfs/dbraw/zinc/83/17/65/877831765.db2.gz RGTMFMBLHMUMCX-OAQYLSRUSA-N -1 1 422.497 4.418 20 0 HIADMM CC[C@H]1CCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000465039056 878400938 /nfs/dbraw/zinc/40/09/38/878400938.db2.gz WQIGWBJXOYACRN-ORAYPTAESA-N -1 1 408.470 4.074 20 0 HIADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000465039057 878401245 /nfs/dbraw/zinc/40/12/45/878401245.db2.gz WQIGWBJXOYACRN-YJYMSZOUSA-N -1 1 408.470 4.074 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000465083498 878444149 /nfs/dbraw/zinc/44/41/49/878444149.db2.gz IKZIJDOJIPDYLX-GASCZTMLSA-N -1 1 422.909 4.152 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000465293153 878731122 /nfs/dbraw/zinc/73/11/22/878731122.db2.gz YDIGQNXACXDVCU-RDTXWAMCSA-N -1 1 404.507 4.196 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000465298231 878740829 /nfs/dbraw/zinc/74/08/29/878740829.db2.gz ZAOWDQJHHCERHE-AUUYWEPGSA-N -1 1 404.507 4.196 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](CC(C)C)C3)c2)cc1 ZINC000465304303 878749316 /nfs/dbraw/zinc/74/93/16/878749316.db2.gz OCUPXCXHMNEUGK-KRWDZBQOSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1nc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)s1 ZINC000465387914 878828108 /nfs/dbraw/zinc/82/81/08/878828108.db2.gz KPPULXJCJDQPRZ-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM CC[C@H](C)C[C@@H](C)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000465828512 879461095 /nfs/dbraw/zinc/46/10/95/879461095.db2.gz BIWPZXDAKCUHRE-DLBZAZTESA-N -1 1 403.548 4.111 20 0 HIADMM CC[C@@H](C)C[C@@H](C)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466170524 879871705 /nfs/dbraw/zinc/87/17/05/879871705.db2.gz SNQKUXOFVZDUNG-QZTJIDSGSA-N -1 1 417.575 4.454 20 0 HIADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000466423764 880196177 /nfs/dbraw/zinc/19/61/77/880196177.db2.gz SLLUNJRKGCPPEN-UHFFFAOYSA-N -1 1 421.465 4.473 20 0 HIADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000466475706 880258803 /nfs/dbraw/zinc/25/88/03/880258803.db2.gz URWADXRWDBLFOF-UHFFFAOYSA-N -1 1 402.447 4.085 20 0 HIADMM Cc1oc2ccccc2c1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000466593468 880364768 /nfs/dbraw/zinc/36/47/68/880364768.db2.gz QDMCPBKUBMWBNE-UHFFFAOYSA-N -1 1 420.490 4.472 20 0 HIADMM Cc1cccc(S(=O)(=O)CCCSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000467195412 880924747 /nfs/dbraw/zinc/92/47/47/880924747.db2.gz GOARYENICSBFRX-UHFFFAOYSA-N -1 1 414.552 4.422 20 0 HIADMM O=C(N[C@H]1C=CCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000467274357 881016977 /nfs/dbraw/zinc/01/69/77/881016977.db2.gz GJMIZTGWJCOVOA-AWEZNQCLSA-N -1 1 408.882 4.118 20 0 HIADMM C[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2c(O)cccc21 ZINC000469221616 883320672 /nfs/dbraw/zinc/32/06/72/883320672.db2.gz KAJJLBFPJUWXDO-MRXNPFEDSA-N -1 1 422.506 4.347 20 0 HIADMM Cc1ccc(NC(=O)c2cncc(F)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000469239393 883339278 /nfs/dbraw/zinc/33/92/78/883339278.db2.gz WLLMPUNLBDFAHD-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM C[C@@H](CCC1CC1)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000469427365 883608725 /nfs/dbraw/zinc/60/87/25/883608725.db2.gz BJRRMJJGSVHTQZ-KRWDZBQOSA-N -1 1 415.559 4.208 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1nc(C)cs1 ZINC000469602048 883831170 /nfs/dbraw/zinc/83/11/70/883831170.db2.gz CQUNXNFIWAMIIG-UHFFFAOYSA-N -1 1 415.540 4.227 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CCOCC(F)(F)C(F)(F)F)c1 ZINC000503862137 912845368 /nfs/dbraw/zinc/84/53/68/912845368.db2.gz ZBKAFZCSEFEWKP-UHFFFAOYSA-N -1 1 406.145 4.006 20 0 HIADMM CCCOc1c(Cl)cc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)cc1OC ZINC000470300442 884675391 /nfs/dbraw/zinc/67/53/91/884675391.db2.gz ZZMYVFQFZHXQRI-XYOKQWHBSA-N -1 1 406.866 4.370 20 0 HIADMM CN(C(=O)CSc1nc(C2CC2)cc(=O)[n-]1)C(c1ccccc1)c1ccccc1 ZINC000470453159 884848906 /nfs/dbraw/zinc/84/89/06/884848906.db2.gz SWONJQXWMLKWEA-UHFFFAOYSA-N -1 1 405.523 4.400 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000470456770 884851355 /nfs/dbraw/zinc/85/13/55/884851355.db2.gz SDTATMHHMPNSLP-UHFFFAOYSA-N -1 1 405.479 4.287 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3oc4ccc(Cl)cc4c3C)CCCCC2)no1 ZINC000470561775 884978558 /nfs/dbraw/zinc/97/85/58/884978558.db2.gz WRTSQYUKNZIFCD-UHFFFAOYSA-N -1 1 409.895 4.224 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000470681126 885112085 /nfs/dbraw/zinc/11/20/85/885112085.db2.gz DNWLIKPBIRJXFS-UHFFFAOYSA-N -1 1 419.978 4.379 20 0 HIADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000471109860 885644971 /nfs/dbraw/zinc/64/49/71/885644971.db2.gz INDXTFRLQMBRLR-GOSISDBHSA-N -1 1 415.446 4.409 20 0 HIADMM COc1cccc(-c2nc(C(=O)[N-]c3nc(-c4ccccc4)c(C(C)=O)s3)no2)c1 ZINC000471172117 885730608 /nfs/dbraw/zinc/73/06/08/885730608.db2.gz DFFOXFCBYDUCNZ-UHFFFAOYSA-N -1 1 420.450 4.324 20 0 HIADMM Cc1ccc(C(=O)N([C@@H](C)C2CC2)C2CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471233315 885808395 /nfs/dbraw/zinc/80/83/95/885808395.db2.gz IRLYKVUUCBQQBH-HNNXBMFYSA-N -1 1 416.518 4.338 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(CC)(CC)C3)cc2)cc1 ZINC000504092586 913001776 /nfs/dbraw/zinc/00/17/76/913001776.db2.gz XIAGZCMCZFMENV-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 ZINC000471586635 886299381 /nfs/dbraw/zinc/29/93/81/886299381.db2.gz RMOKYQWPTUJXAX-LBPRGKRZSA-N -1 1 401.937 4.058 20 0 HIADMM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3F)n2)ccc1F ZINC000471884179 886664798 /nfs/dbraw/zinc/66/47/98/886664798.db2.gz AOOUERNIFJSWSE-JTQLQIEISA-N -1 1 413.833 4.016 20 0 HIADMM Cc1ccc(C(=O)NCCCC(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000472032402 886852843 /nfs/dbraw/zinc/85/28/43/886852843.db2.gz PXUCVRCTAUENSR-UHFFFAOYSA-N -1 1 418.412 4.007 20 0 HIADMM Cc1ccc(C(=O)Nc2cccc3[nH]cnc32)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000472238981 887047611 /nfs/dbraw/zinc/04/76/11/887047611.db2.gz GHJYKRFXMJQXOX-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM COc1cc(C(=O)N[C@H]2CCOc3c(Br)cccc32)cc(Cl)c1[O-] ZINC000504338178 913178979 /nfs/dbraw/zinc/17/89/79/913178979.db2.gz IWWWUTDTQDIEJF-ZDUSSCGKSA-N -1 1 412.667 4.070 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2Cl)sc1Cl ZINC000473411156 888129797 /nfs/dbraw/zinc/12/97/97/888129797.db2.gz SVXOASJLFLMFBO-UHFFFAOYSA-N -1 1 407.344 4.302 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc2cc[nH]c2c1 ZINC000473573034 888312743 /nfs/dbraw/zinc/31/27/43/888312743.db2.gz XEUSZJDVQZCVQW-UHFFFAOYSA-N -1 1 405.479 4.245 20 0 HIADMM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccccc1 ZINC000473955674 888826992 /nfs/dbraw/zinc/82/69/92/888826992.db2.gz HRWFOUMHTMCOIC-CYBMUJFWSA-N -1 1 420.333 4.213 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)cc1 ZINC000504518870 913302448 /nfs/dbraw/zinc/30/24/48/913302448.db2.gz PVVFLNBUBPTAPE-UHFFFAOYSA-N -1 1 410.543 4.380 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3CCC(=O)[C@H]3C)ccc2C)c1 ZINC000474199538 889037203 /nfs/dbraw/zinc/03/72/03/889037203.db2.gz QUNWWRBYIYWWSV-IRXDYDNUSA-N -1 1 414.527 4.048 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000474330256 889202950 /nfs/dbraw/zinc/20/29/50/889202950.db2.gz OCWBDXVWAGFUDI-UHFFFAOYSA-N -1 1 410.449 4.045 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cc(C4CCCCCC4)n[nH]3)c3cccc1c23 ZINC000474415778 889281152 /nfs/dbraw/zinc/28/11/52/889281152.db2.gz SKEPQRNFWUWMLY-UHFFFAOYSA-N -1 1 410.499 4.367 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(COCc2ccccc2)cc1 ZINC000474494455 889355424 /nfs/dbraw/zinc/35/54/24/889355424.db2.gz GUNDQCFRDOHQNB-UHFFFAOYSA-N -1 1 419.525 4.435 20 0 HIADMM CCc1cccc2c(C3CCN(C(=O)c4c(C)[n-]c(=O)nc4SC)CC3)c[nH]c21 ZINC000474540245 889416317 /nfs/dbraw/zinc/41/63/17/889416317.db2.gz SFVIIJXQXUZJRE-UHFFFAOYSA-N -1 1 410.543 4.276 20 0 HIADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474830710 889688065 /nfs/dbraw/zinc/68/80/65/889688065.db2.gz GYSPNFHABIPUTH-IKGGRYGDSA-N -1 1 401.532 4.386 20 0 HIADMM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)O2 ZINC000474883432 889738845 /nfs/dbraw/zinc/73/88/45/889738845.db2.gz WQWIUROWIXBXIJ-JOCHJYFZSA-N -1 1 422.506 4.128 20 0 HIADMM C[C@@H](Sc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000504681083 913418693 /nfs/dbraw/zinc/41/86/93/913418693.db2.gz SIJJGUBWXBXPJH-SECBINFHSA-N -1 1 423.409 4.211 20 0 HIADMM C[C@@H]1CC[C@@H](CNC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000475303827 890212736 /nfs/dbraw/zinc/21/27/36/890212736.db2.gz ONFNIBPRAHPGLS-QZTJIDSGSA-N -1 1 415.559 4.065 20 0 HIADMM C[C@H]1CC[C@@H](CNC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000475303829 890213314 /nfs/dbraw/zinc/21/33/14/890213314.db2.gz ONFNIBPRAHPGLS-ZWKOTPCHSA-N -1 1 415.559 4.065 20 0 HIADMM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC000504702647 913436770 /nfs/dbraw/zinc/43/67/70/913436770.db2.gz IEVQVBZCHCHZKX-AWEZNQCLSA-N -1 1 424.588 4.348 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)c(Br)c1 ZINC000475816860 890751826 /nfs/dbraw/zinc/75/18/26/890751826.db2.gz PPTGJBGPLMYGBL-UHFFFAOYSA-N -1 1 402.335 4.289 20 0 HIADMM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cs1 ZINC000475829847 890764181 /nfs/dbraw/zinc/76/41/81/890764181.db2.gz MXSCCXFZQQAMRZ-UHFFFAOYSA-N -1 1 413.524 4.194 20 0 HIADMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000475833561 890766328 /nfs/dbraw/zinc/76/63/28/890766328.db2.gz NIZWLAXWSBQBSI-UHFFFAOYSA-N -1 1 407.495 4.133 20 0 HIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000475839032 890772396 /nfs/dbraw/zinc/77/23/96/890772396.db2.gz ZURWEMWBZNTSAO-UHFFFAOYSA-N -1 1 407.854 4.058 20 0 HIADMM CC[C@H](CSc1ccccc1)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000504769252 913502906 /nfs/dbraw/zinc/50/29/06/913502906.db2.gz FHWPHAUBIISVPV-GOSISDBHSA-N -1 1 422.554 4.172 20 0 HIADMM Cn1nc(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c2ccccc21 ZINC000476190435 891121743 /nfs/dbraw/zinc/12/17/43/891121743.db2.gz KQNHRFJZLDODPR-UHFFFAOYSA-N -1 1 418.733 4.055 20 0 HIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000476367187 891275270 /nfs/dbraw/zinc/27/52/70/891275270.db2.gz XXEONUUAOQLBDA-UHFFFAOYSA-N -1 1 401.772 4.290 20 0 HIADMM Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000476379264 891293696 /nfs/dbraw/zinc/29/36/96/891293696.db2.gz PXQKXQJSEVQHBP-UHFFFAOYSA-N -1 1 416.543 4.238 20 0 HIADMM CSc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1Cl ZINC000476399736 891317334 /nfs/dbraw/zinc/31/73/34/891317334.db2.gz VCFJRCCDZJVRML-NSHDSACASA-N -1 1 410.948 4.160 20 0 HIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000476596226 891529219 /nfs/dbraw/zinc/52/92/19/891529219.db2.gz LPAYGASEOHVIHH-GOSISDBHSA-N -1 1 408.483 4.072 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c2ccccc12 ZINC000476622571 891556760 /nfs/dbraw/zinc/55/67/60/891556760.db2.gz DZVKXTLNHLENHC-UHFFFAOYSA-N -1 1 407.451 4.254 20 0 HIADMM CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000504865525 913594771 /nfs/dbraw/zinc/59/47/71/913594771.db2.gz QFJIDJPVMMSZOD-UHFFFAOYSA-N -1 1 406.548 4.045 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H](C)C3)c2)cc1 ZINC000476817073 891802977 /nfs/dbraw/zinc/80/29/77/891802977.db2.gz ATPYIIMUEPXWPN-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC[C@@H](C)C3)c2)cc1F ZINC000476827429 891809352 /nfs/dbraw/zinc/80/93/52/891809352.db2.gz LRXWXABDCYDKLE-OAHLLOKOSA-N -1 1 404.507 4.197 20 0 HIADMM O=C(Nc1scnc1C1CC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000477067924 892001705 /nfs/dbraw/zinc/00/17/05/892001705.db2.gz OPWJLDBHBMNIHP-UHFFFAOYSA-N -1 1 417.487 4.213 20 0 HIADMM Cc1ccc(C(=O)NC2CCSCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000504885485 913617853 /nfs/dbraw/zinc/61/78/53/913617853.db2.gz NBCZVVVLOKWEMF-UHFFFAOYSA-N -1 1 424.975 4.075 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c2ccccc12 ZINC000477321568 892285091 /nfs/dbraw/zinc/28/50/91/892285091.db2.gz VDTSRYXUQGSJSE-UHFFFAOYSA-N -1 1 408.479 4.118 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)cc1Cl ZINC000477440317 892390751 /nfs/dbraw/zinc/39/07/51/892390751.db2.gz SHTJBPOMBMODEB-UHFFFAOYSA-N -1 1 419.890 4.371 20 0 HIADMM Cc1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)ccc1F ZINC000504925959 913663762 /nfs/dbraw/zinc/66/37/62/913663762.db2.gz GAJSUACLDPHSLE-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000477569109 892627975 /nfs/dbraw/zinc/62/79/75/892627975.db2.gz FKTAHSDDKXTUNB-SFHVURJKSA-N -1 1 417.531 4.120 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000504966345 913705696 /nfs/dbraw/zinc/70/56/96/913705696.db2.gz YRXLHOUUESPPNG-UHFFFAOYSA-N -1 1 409.511 4.254 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)o1 ZINC000477912110 892990695 /nfs/dbraw/zinc/99/06/95/892990695.db2.gz AGTQDRGZASMFNG-UHFFFAOYSA-N -1 1 424.828 4.281 20 0 HIADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000477969711 893062964 /nfs/dbraw/zinc/06/29/64/893062964.db2.gz ONHIRYORFDPVGD-LFUKPOHLSA-N -1 1 415.559 4.111 20 0 HIADMM COC(=O)c1cc(F)cc([N-]C(=O)c2c(F)ccc(Br)c2F)c1F ZINC000478077144 893239954 /nfs/dbraw/zinc/23/99/54/893239954.db2.gz BEKZUNQQRNZRKI-UHFFFAOYSA-N -1 1 406.129 4.044 20 0 HIADMM COC(=O)c1cc(F)cc([N-]C(=O)c2c(F)cc(Br)cc2F)c1F ZINC000478093570 893258867 /nfs/dbraw/zinc/25/88/67/893258867.db2.gz URODKISDAUHDKW-UHFFFAOYSA-N -1 1 406.129 4.044 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H]1CCC(C)(C)C1 ZINC000478198340 893360500 /nfs/dbraw/zinc/36/05/00/893360500.db2.gz RFCQXPFIWMWFKB-MRXNPFEDSA-N -1 1 422.497 4.416 20 0 HIADMM CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000478234912 893396332 /nfs/dbraw/zinc/39/63/32/893396332.db2.gz UFAMZEBAFWHJTF-QGZVFWFLSA-N -1 1 419.529 4.036 20 0 HIADMM CC[C@@H](C)c1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cn1 ZINC000478283405 893490562 /nfs/dbraw/zinc/49/05/62/893490562.db2.gz GTQSBCWUTOCSQT-OAHLLOKOSA-N -1 1 424.526 4.352 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)cc(Cl)c1[O-] ZINC000478459500 893780813 /nfs/dbraw/zinc/78/08/13/893780813.db2.gz MUPASFHYXAZNBS-ZDUSSCGKSA-N -1 1 404.677 4.215 20 0 HIADMM CCOC(=O)Cc1nnc([N-]C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)s1 ZINC000505072549 913805282 /nfs/dbraw/zinc/80/52/82/913805282.db2.gz YXPBLFJNIHPGBP-UHFFFAOYSA-N -1 1 416.528 4.143 20 0 HIADMM C[C@@H](CN(C)C(=O)c1c2c(nc3ccccc31)C(=Cc1ccccc1)CC2)c1nn[n-]n1 ZINC000478603897 893869472 /nfs/dbraw/zinc/86/94/72/893869472.db2.gz TZZDOGLOIDXYCM-IYWFSZBXSA-N -1 1 424.508 4.110 20 0 HIADMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cc(F)cc2nccnc21 ZINC000478783033 894059262 /nfs/dbraw/zinc/05/92/62/894059262.db2.gz IZBXSMMGCBPNLU-UHFFFAOYSA-N -1 1 403.801 4.332 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc2ncsc2c1 ZINC000479133414 894402477 /nfs/dbraw/zinc/40/24/77/894402477.db2.gz XORIFSDOECZTRC-UHFFFAOYSA-N -1 1 424.429 4.302 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)n[nH]c1-c1ccccc1 ZINC000479140820 894410480 /nfs/dbraw/zinc/41/04/80/894410480.db2.gz MHZYQKHGVVNOKE-UHFFFAOYSA-N -1 1 424.295 4.396 20 0 HIADMM C[C@@H]1CC(C)(C)N(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c2ccccc21 ZINC000479256885 894523391 /nfs/dbraw/zinc/52/33/91/894523391.db2.gz ZBMYZCRTBKWOTJ-CQSZACIVSA-N -1 1 404.532 4.289 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479265885 894536621 /nfs/dbraw/zinc/53/66/21/894536621.db2.gz KUCRLVHNESFGDY-MRXNPFEDSA-N -1 1 414.658 4.161 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(CN(C)Cc3cscn3)c2)c1 ZINC000479284772 894562525 /nfs/dbraw/zinc/56/25/25/894562525.db2.gz MUBBKISTUHGNFK-UHFFFAOYSA-N -1 1 401.557 4.193 20 0 HIADMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1C ZINC000479287102 894567215 /nfs/dbraw/zinc/56/72/15/894567215.db2.gz SSSPXYCEZJVGOP-UHFFFAOYSA-N -1 1 409.573 4.096 20 0 HIADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000479407352 894715033 /nfs/dbraw/zinc/71/50/33/894715033.db2.gz FECLOLJPTFPGGT-LIRRHRJNSA-N -1 1 404.507 4.196 20 0 HIADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000479420679 894732787 /nfs/dbraw/zinc/73/27/87/894732787.db2.gz RGDUDKPKDHKKLK-YWZLYKJASA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1NC(=O)C(C)(C)C ZINC000479485369 894806962 /nfs/dbraw/zinc/80/69/62/894806962.db2.gz UNLUQOBWXVYHLX-UHFFFAOYSA-N -1 1 403.529 4.390 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc2cc(Br)ccc2c1 ZINC000479493468 894813078 /nfs/dbraw/zinc/81/30/78/894813078.db2.gz XGJWOYYJHNJYDN-UHFFFAOYSA-N -1 1 404.285 4.433 20 0 HIADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc2cc(Br)ccc2c1 ZINC000479493780 894813436 /nfs/dbraw/zinc/81/34/36/894813436.db2.gz BLCSLWOVCJPRIN-UHFFFAOYSA-N -1 1 414.284 4.346 20 0 HIADMM O=S(=O)([N-]c1cccc(COCc2ccco2)c1)c1ccc2ncsc2c1 ZINC000479504216 894819714 /nfs/dbraw/zinc/81/97/14/894819714.db2.gz PSFLKUAHKITCSW-UHFFFAOYSA-N -1 1 400.481 4.407 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)ccc1C1CC1 ZINC000479573710 894866980 /nfs/dbraw/zinc/86/69/80/894866980.db2.gz AZABBNLMYQSAGA-OAHLLOKOSA-N -1 1 405.491 4.228 20 0 HIADMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(OC[C@@H]4CCOC4)c(F)c3)cc2c1C ZINC000479581179 894871356 /nfs/dbraw/zinc/87/13/56/894871356.db2.gz QSJDGOWISYHOAV-OAHLLOKOSA-N -1 1 419.474 4.405 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccn(-c4ccncc4)n3)cc2)c1 ZINC000505275122 913932086 /nfs/dbraw/zinc/93/20/86/913932086.db2.gz QQWCWGGKEDSBNL-UHFFFAOYSA-N -1 1 406.467 4.169 20 0 HIADMM COc1ccc2ccccc2c1-c1cc(C[N-]S(=O)(=O)c2ccccc2F)on1 ZINC000479949460 895303576 /nfs/dbraw/zinc/30/35/76/895303576.db2.gz NGRWODVIRQDMFV-UHFFFAOYSA-N -1 1 412.442 4.121 20 0 HIADMM Cc1ccc(C)c([C@H]2CN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)[C@H](C)CO2)c1 ZINC000480068549 895418136 /nfs/dbraw/zinc/41/81/36/895418136.db2.gz DJQFNLQWCHPQCP-IIBYNOLFSA-N -1 1 404.514 4.444 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1ccsc1)c1ccccc1 ZINC000505307905 913969651 /nfs/dbraw/zinc/96/96/51/913969651.db2.gz KNJOESNHSKTJHC-UHFFFAOYSA-N -1 1 416.506 4.390 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2)n1 ZINC000480193383 895590756 /nfs/dbraw/zinc/59/07/56/895590756.db2.gz RJRWVWGBGFHQNV-UHFFFAOYSA-N -1 1 407.417 4.358 20 0 HIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000480196680 895594771 /nfs/dbraw/zinc/59/47/71/895594771.db2.gz KJPKOPPHFGEUKT-UHFFFAOYSA-N -1 1 400.422 4.187 20 0 HIADMM Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)c2C(C)C)cc1 ZINC000480230578 895636601 /nfs/dbraw/zinc/63/66/01/895636601.db2.gz WFXIBAYQUVVDNU-UHFFFAOYSA-N -1 1 413.499 4.112 20 0 HIADMM CC(C)[C@H]1N(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1(C)C ZINC000480316422 895720400 /nfs/dbraw/zinc/72/04/00/895720400.db2.gz FSDASLXWAZDWOE-OAQYLSRUSA-N -1 1 418.534 4.062 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000481568297 896946322 /nfs/dbraw/zinc/94/63/22/896946322.db2.gz KXQCMGRKNUSPDJ-UHFFFAOYSA-N -1 1 416.250 4.354 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)ccc1[O-] ZINC000481606429 896986507 /nfs/dbraw/zinc/98/65/07/896986507.db2.gz JGWXLZHPGFXUKC-UHFFFAOYSA-N -1 1 419.528 4.059 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1Cl ZINC000481956510 897345308 /nfs/dbraw/zinc/34/53/08/897345308.db2.gz CHFPFUJWKGDFNU-UHFFFAOYSA-N -1 1 417.874 4.287 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(OCc2ccccc2)c1 ZINC000481975497 897367233 /nfs/dbraw/zinc/36/72/33/897367233.db2.gz GONPYVSIMWFNEB-UHFFFAOYSA-N -1 1 411.479 4.002 20 0 HIADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000482256768 897737772 /nfs/dbraw/zinc/73/77/72/897737772.db2.gz CBVHGXZEYOGROP-RTBURBONSA-N -1 1 418.584 4.282 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(CCC(F)(F)F)Cc2ccccc2)c(=O)[n-]1 ZINC000482414141 897960331 /nfs/dbraw/zinc/96/03/31/897960331.db2.gz XNANQXJAYJXUFQ-UHFFFAOYSA-N -1 1 413.465 4.126 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c1 ZINC000482636398 898240438 /nfs/dbraw/zinc/24/04/38/898240438.db2.gz SZKXGDKNTJWVJD-BXUZGUMPSA-N -1 1 403.276 4.310 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(Oc3cnccn3)c2)c1 ZINC000482657426 898261745 /nfs/dbraw/zinc/26/17/45/898261745.db2.gz LBGGEZNBKOUKOH-UHFFFAOYSA-N -1 1 400.232 4.298 20 0 HIADMM CSc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])ccc1NC(C)=O ZINC000482680083 898281497 /nfs/dbraw/zinc/28/14/97/898281497.db2.gz YKGMESXIOKOYEU-UHFFFAOYSA-N -1 1 409.305 4.396 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000482694032 898293213 /nfs/dbraw/zinc/29/32/13/898293213.db2.gz ODZRBYZZUBVYMO-UHFFFAOYSA-N -1 1 405.223 4.438 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)c1 ZINC000482696889 898296442 /nfs/dbraw/zinc/29/64/42/898296442.db2.gz RZBMAGGJBWDCAR-SFHVURJKSA-N -1 1 419.319 4.305 20 0 HIADMM CCCCn1ncc(NC(=O)c2ccccc2[N-]S(=O)(=O)CCC)c1C(C)C ZINC000482743520 898347854 /nfs/dbraw/zinc/34/78/54/898347854.db2.gz QWOLZYBGYJYNDK-UHFFFAOYSA-N -1 1 406.552 4.211 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c(=O)[n-]1 ZINC000482759838 898367113 /nfs/dbraw/zinc/36/71/13/898367113.db2.gz MASRZMHNRPDMBT-UHFFFAOYSA-N -1 1 412.342 4.037 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(C)=C(C)C3)c2)cc1 ZINC000482898710 898516590 /nfs/dbraw/zinc/51/65/90/898516590.db2.gz ZKZWIKQMGYTVFG-UHFFFAOYSA-N -1 1 414.527 4.068 20 0 HIADMM C[C@H]1CCSCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000482940476 898563014 /nfs/dbraw/zinc/56/30/14/898563014.db2.gz DETHKIYWSRKFCQ-AWEZNQCLSA-N -1 1 424.975 4.108 20 0 HIADMM CCOc1ccc(-c2csc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)n2)cc1 ZINC000483302051 898933933 /nfs/dbraw/zinc/93/39/33/898933933.db2.gz VZNUSLCQEQOPFY-UHFFFAOYSA-N -1 1 418.478 4.415 20 0 HIADMM Cc1nc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)sc1Cc1ccccc1F ZINC000484248092 899832191 /nfs/dbraw/zinc/83/21/91/899832191.db2.gz WXIQGGLKBPBSIS-UHFFFAOYSA-N -1 1 420.469 4.388 20 0 HIADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)c1 ZINC000484513850 900004102 /nfs/dbraw/zinc/00/41/02/900004102.db2.gz KUKXIVWIBUKZIM-UHFFFAOYSA-N -1 1 418.446 4.075 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)Nc2ccccc2)ccc1C ZINC000484516882 900006316 /nfs/dbraw/zinc/00/63/16/900006316.db2.gz RHUIWKHIPUQGQI-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000484603457 900063069 /nfs/dbraw/zinc/06/30/69/900063069.db2.gz XMNDLSMVOCVCFW-UHFFFAOYSA-N -1 1 419.396 4.298 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)c2ccccc12 ZINC000484616975 900071965 /nfs/dbraw/zinc/07/19/65/900071965.db2.gz IDBSWHZGNUJSBG-UHFFFAOYSA-N -1 1 408.483 4.051 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)c2ccccc12 ZINC000484626690 900078960 /nfs/dbraw/zinc/07/89/60/900078960.db2.gz YESNMQTZVOAKIL-UHFFFAOYSA-N -1 1 422.510 4.441 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000505744614 914422651 /nfs/dbraw/zinc/42/26/51/914422651.db2.gz RROCONCOPMQJPF-QKFKETGDSA-N -1 1 422.916 4.190 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c2ccccc12 ZINC000485044597 900379779 /nfs/dbraw/zinc/37/97/79/900379779.db2.gz WBIZBQQOPGVTKK-UHFFFAOYSA-N -1 1 410.495 4.314 20 0 HIADMM COc1c2ccccc2[nH]c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505780641 914446214 /nfs/dbraw/zinc/44/62/14/914446214.db2.gz BAIWULZVFRMYPN-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCC(OC(F)F)CC1 ZINC000505780649 914446861 /nfs/dbraw/zinc/44/68/61/914446861.db2.gz BDIFROYVOBXOSV-UHFFFAOYSA-N -1 1 424.469 4.224 20 0 HIADMM CCN(CC)C(=O)c1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1Cl ZINC000485384658 900680182 /nfs/dbraw/zinc/68/01/82/900680182.db2.gz POKKATSSXVNPNK-UHFFFAOYSA-N -1 1 424.888 4.028 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ocnc3C3CC3)ccc2C)c1 ZINC000485433581 900729025 /nfs/dbraw/zinc/72/90/25/900729025.db2.gz QLBCTDJQIUZXPC-UHFFFAOYSA-N -1 1 411.483 4.222 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1OC1CC1 ZINC000485616267 900873830 /nfs/dbraw/zinc/87/38/30/900873830.db2.gz TXWUMWLDBOJUJO-UHFFFAOYSA-N -1 1 408.479 4.281 20 0 HIADMM CCc1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)ccc1O ZINC000485658335 900910265 /nfs/dbraw/zinc/91/02/65/900910265.db2.gz CQOAODJTNZSAQS-UHFFFAOYSA-N -1 1 414.458 4.147 20 0 HIADMM CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)c1ccccc1OC ZINC000486014772 901224717 /nfs/dbraw/zinc/22/47/17/901224717.db2.gz HIDFBFZWNFVNKR-UHFFFAOYSA-N -1 1 401.260 4.378 20 0 HIADMM O=c1c(Cl)c(/C=C/c2cc(F)c([O-])c(F)c2)nc2ccc(Br)cn12 ZINC000486027481 901233649 /nfs/dbraw/zinc/23/36/49/901233649.db2.gz ODYNOHXMHGECFY-HNQUOIGGSA-N -1 1 413.605 4.265 20 0 HIADMM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000486221745 901403267 /nfs/dbraw/zinc/40/32/67/901403267.db2.gz YDTLQTRHTHZSKN-BXUZGUMPSA-N -1 1 400.194 4.459 20 0 HIADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486546752 901695044 /nfs/dbraw/zinc/69/50/44/901695044.db2.gz FHFJLLWGZSGFPF-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486619042 901755061 /nfs/dbraw/zinc/75/50/61/901755061.db2.gz GHCGAXVAKNOGPB-LLVKDONJSA-N -1 1 401.260 4.242 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000486770924 901843280 /nfs/dbraw/zinc/84/32/80/901843280.db2.gz IGFHZIVYNUENJI-IUODEOHRSA-N -1 1 417.303 4.067 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCS[C@@H]2CCCC[C@H]21 ZINC000486775361 901846178 /nfs/dbraw/zinc/84/61/78/901846178.db2.gz GOVDOKDYBXWDIG-UKRRQHHQSA-N -1 1 407.333 4.203 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Cn2cnc3ccccc32)cc1 ZINC000486789151 901854898 /nfs/dbraw/zinc/85/48/98/901854898.db2.gz UJAZFHFGTZNIBC-UHFFFAOYSA-N -1 1 407.495 4.032 20 0 HIADMM CCc1cc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)o1 ZINC000486861183 901906615 /nfs/dbraw/zinc/90/66/15/901906615.db2.gz ZBQCKYSEGNDDFR-UHFFFAOYSA-N -1 1 420.437 4.482 20 0 HIADMM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)sn1 ZINC000487949067 902478552 /nfs/dbraw/zinc/47/85/52/902478552.db2.gz RAHZYEUQUDURMW-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1ccc(-c2nnc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)s2)c(C)c1 ZINC000488027086 902546710 /nfs/dbraw/zinc/54/67/10/902546710.db2.gz YZBZGMCRQFTIST-UHFFFAOYSA-N -1 1 403.467 4.028 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC[C@H](Cc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000488248777 902722605 /nfs/dbraw/zinc/72/26/05/902722605.db2.gz LLSLRIZZAMYPMW-FQEVSTJZSA-N -1 1 421.566 4.288 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1 ZINC000489477207 903408549 /nfs/dbraw/zinc/40/85/49/903408549.db2.gz LUXJMRRGJZBOFR-UHFFFAOYSA-N -1 1 410.495 4.300 20 0 HIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)c2)n1 ZINC000489752191 903579512 /nfs/dbraw/zinc/57/95/12/903579512.db2.gz JLRGHKUCIYIFBP-UHFFFAOYSA-N -1 1 407.499 4.183 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)c(OCC(F)(F)F)c1 ZINC000490182114 903813630 /nfs/dbraw/zinc/81/36/30/903813630.db2.gz LIOVEKHNSFFQHW-UHFFFAOYSA-N -1 1 418.209 4.334 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cnn(CCC(C)C)c2C(C)C)c(=O)[n-]1 ZINC000490201057 903824464 /nfs/dbraw/zinc/82/44/64/903824464.db2.gz HIFNDFYLDSWXET-UHFFFAOYSA-N -1 1 405.568 4.150 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000490493251 904045559 /nfs/dbraw/zinc/04/55/59/904045559.db2.gz URNHNQGSQPVTNF-IBGZPJMESA-N -1 1 419.547 4.284 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@@H]1OCCc2sccc21 ZINC000490511334 904060924 /nfs/dbraw/zinc/06/09/24/904060924.db2.gz CWGAYBRRWRNFCX-AYVTZFPOSA-N -1 1 410.319 4.175 20 0 HIADMM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1cc(-c2cccs2)on1 ZINC000490603569 904130598 /nfs/dbraw/zinc/13/05/98/904130598.db2.gz CRDHTHVRKDANFH-UHFFFAOYSA-N -1 1 405.361 4.459 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(F)c(Cl)c3)cc2C[C@@H]1C ZINC000491716865 904686165 /nfs/dbraw/zinc/68/61/65/904686165.db2.gz FNKDEVOPEYZUIG-VIFPVBQESA-N -1 1 417.289 4.231 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000506248335 914862680 /nfs/dbraw/zinc/86/26/80/914862680.db2.gz JSDYUFPPOMTBBI-UHFFFAOYSA-N -1 1 417.314 4.406 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC/C=C\c1ccccc1 ZINC000493913179 905265652 /nfs/dbraw/zinc/26/56/52/905265652.db2.gz UUAPQEZQZGJLCD-YVMONPNESA-N -1 1 424.497 4.378 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCCc2ccc(Cl)cc2)c1 ZINC000494110500 905457716 /nfs/dbraw/zinc/45/77/16/905457716.db2.gz LFUUVLDVEOGAHV-UHFFFAOYSA-N -1 1 424.950 4.038 20 0 HIADMM Cc1cc(C(=O)Nc2ccccc2Nc2c(F)cccc2F)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000494155185 905492456 /nfs/dbraw/zinc/49/24/56/905492456.db2.gz DWKSENLLCOCJNX-UHFFFAOYSA-N -1 1 423.379 4.019 20 0 HIADMM Cc1ccsc1S(=O)(=O)[N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000512426599 921152490 /nfs/dbraw/zinc/15/24/90/921152490.db2.gz LQMIBKCNRKIILD-NSHDSACASA-N -1 1 401.378 4.240 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@@H]2CCC2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000494183633 905518746 /nfs/dbraw/zinc/51/87/46/905518746.db2.gz UMLBRNWIVLIBNF-GOSISDBHSA-N -1 1 423.579 4.424 20 0 HIADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000494430409 905716380 /nfs/dbraw/zinc/71/63/80/905716380.db2.gz YZNSMQWZJIHNNW-VIFPVBQESA-N -1 1 408.667 4.358 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC(C)(C)C2)c1 ZINC000494468880 905750550 /nfs/dbraw/zinc/75/05/50/905750550.db2.gz DZRBVJYVIPBZGQ-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CCOc1cc(C(=O)N2CCN(c3nccc4sccc43)CC2)cc(Cl)c1[O-] ZINC000494752210 905953065 /nfs/dbraw/zinc/95/30/65/905953065.db2.gz JKMUJBCDSZZKTJ-UHFFFAOYSA-N -1 1 417.918 4.016 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CCSCC1 ZINC000496129038 906613006 /nfs/dbraw/zinc/61/30/06/906613006.db2.gz KLFUGVOPLLGXEF-UHFFFAOYSA-N -1 1 410.948 4.223 20 0 HIADMM COc1cccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000497311476 906829560 /nfs/dbraw/zinc/82/95/60/906829560.db2.gz GQZUYWJQVIAMDL-KRWDZBQOSA-N -1 1 424.522 4.295 20 0 HIADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1c(F)cccc1F ZINC000497362560 906853799 /nfs/dbraw/zinc/85/37/99/906853799.db2.gz HZYXINIKNFKGJW-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM COc1cccc2c1CCCN2C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000497493446 906976667 /nfs/dbraw/zinc/97/66/67/906976667.db2.gz BYOHITZEZRQKSO-UHFFFAOYSA-N -1 1 422.506 4.089 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C(F)(F)F)c3)c3cccc(c23)C1=O ZINC000512733366 921298756 /nfs/dbraw/zinc/29/87/56/921298756.db2.gz LAZXOSNYPVIIQI-UHFFFAOYSA-N -1 1 424.375 4.389 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c3cccc(c23)C1=O ZINC000512757204 921302463 /nfs/dbraw/zinc/30/24/63/921302463.db2.gz FWXHUQPOWXTJIR-UHFFFAOYSA-N -1 1 422.384 4.129 20 0 HIADMM COc1cc(NC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)ccc1[N-]S(C)(=O)=O ZINC000497735507 907232608 /nfs/dbraw/zinc/23/26/08/907232608.db2.gz XWDXOQSQMAVVBV-UHFFFAOYSA-N -1 1 420.575 4.392 20 0 HIADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000512780780 921310171 /nfs/dbraw/zinc/31/01/71/921310171.db2.gz GUBIYVJWQNKSOX-CQSZACIVSA-N -1 1 410.495 4.408 20 0 HIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000497976497 907449704 /nfs/dbraw/zinc/44/97/04/907449704.db2.gz MTHRRKVJIVJTGJ-UHFFFAOYSA-N -1 1 414.493 4.371 20 0 HIADMM CC(C)n1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000498048637 907560400 /nfs/dbraw/zinc/56/04/00/907560400.db2.gz PVEVAVKFHSZRBC-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCC(=O)C[C@@H]3C)ccc2C)c1 ZINC000498078004 907588082 /nfs/dbraw/zinc/58/80/82/907588082.db2.gz MLXPKNXMFPPDCO-JXFKEZNVSA-N -1 1 414.527 4.048 20 0 HIADMM CC[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccncc1 ZINC000498229918 907761314 /nfs/dbraw/zinc/76/13/14/907761314.db2.gz WAXBRMOMOFKVMC-FQEVSTJZSA-N -1 1 410.499 4.155 20 0 HIADMM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1 ZINC000498397818 907880357 /nfs/dbraw/zinc/88/03/57/907880357.db2.gz SGAIXYYDBVZMSI-ZDUSSCGKSA-N -1 1 406.529 4.131 20 0 HIADMM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1 ZINC000498397817 907880485 /nfs/dbraw/zinc/88/04/85/907880485.db2.gz SGAIXYYDBVZMSI-CYBMUJFWSA-N -1 1 406.529 4.131 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2C)cc1 ZINC000498422634 907894620 /nfs/dbraw/zinc/89/46/20/907894620.db2.gz JVXHHWSWOCOYDX-UHFFFAOYSA-N -1 1 424.522 4.237 20 0 HIADMM CC[C@@H](C)Sc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c(C)c1 ZINC000498432550 907898982 /nfs/dbraw/zinc/89/89/82/907898982.db2.gz FQFWQVUFRQTCAW-CYBMUJFWSA-N -1 1 409.529 4.393 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1Oc1ccc(C)nn1 ZINC000498480430 907950714 /nfs/dbraw/zinc/95/07/14/907950714.db2.gz ILYGWKKKDVQRAV-UHFFFAOYSA-N -1 1 419.890 4.349 20 0 HIADMM CCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000498764523 908187526 /nfs/dbraw/zinc/18/75/26/908187526.db2.gz MAHDYLSMGZOIGO-UHFFFAOYSA-N -1 1 420.840 4.165 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000498844561 908248492 /nfs/dbraw/zinc/24/84/92/908248492.db2.gz HSAWQAXVKSPKPB-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@@H](C)C[C@H]3C)c2)cc1 ZINC000499140402 908497891 /nfs/dbraw/zinc/49/78/91/908497891.db2.gz VUSZPBUFBYUGFU-WHSLLNHNSA-N -1 1 416.543 4.051 20 0 HIADMM C[C@H](c1ccco1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000499540552 908834314 /nfs/dbraw/zinc/83/43/14/908834314.db2.gz ONMLCRRKNUXAEZ-CQSZACIVSA-N -1 1 402.447 4.053 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc2ncccc2c1 ZINC000499988578 909433998 /nfs/dbraw/zinc/43/39/98/909433998.db2.gz DEXOXJKJTZCZFV-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@@H](C)c1ccco1 ZINC000500052735 909518665 /nfs/dbraw/zinc/51/86/65/909518665.db2.gz HIFXJGBPZDKSCL-HNNXBMFYSA-N -1 1 416.474 4.361 20 0 HIADMM C[C@H](c1ccco1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000500056826 909521203 /nfs/dbraw/zinc/52/12/03/909521203.db2.gz SCFOQZADGNMONC-CYBMUJFWSA-N -1 1 420.437 4.192 20 0 HIADMM O=C(C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)Nc1cccc2ccccc21 ZINC000500076624 909546119 /nfs/dbraw/zinc/54/61/19/909546119.db2.gz WENRLIWVJKTTOX-UHFFFAOYSA-N -1 1 423.321 4.205 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3CC(C)C)cc2)cc1 ZINC000500153271 909630020 /nfs/dbraw/zinc/63/00/20/909630020.db2.gz YMKXYXBFJVRGEN-IBGZPJMESA-N -1 1 416.543 4.147 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)ccc1N1CCSCC1)c1cccc(Cl)c1 ZINC000500287804 909760104 /nfs/dbraw/zinc/76/01/04/909760104.db2.gz LFTCMKZUIBVPGL-UHFFFAOYSA-N -1 1 403.356 4.347 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1cnn(-c2ccccc2)c1 ZINC000500471541 909877639 /nfs/dbraw/zinc/87/76/39/909877639.db2.gz QGVNJYLTCCXFFX-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000500493989 909889136 /nfs/dbraw/zinc/88/91/36/909889136.db2.gz RYLPZBGGLRQGSB-UHFFFAOYSA-N -1 1 416.481 4.412 20 0 HIADMM Cc1ncc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1 ZINC000500921231 910185603 /nfs/dbraw/zinc/18/56/03/910185603.db2.gz WKXYRLJRBRXXQX-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC=C(c3cccc4ccccc43)C2)c(=O)[n-]1 ZINC000501589871 910697120 /nfs/dbraw/zinc/69/71/20/910697120.db2.gz QFHPARIEMNCLIM-UHFFFAOYSA-N -1 1 405.523 4.224 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](C)[C@@H](C)C3)c2)cc1F ZINC000501620167 910720569 /nfs/dbraw/zinc/72/05/69/910720569.db2.gz ZCEBSHQGOKJXPP-HOCLYGCPSA-N -1 1 404.507 4.053 20 0 HIADMM C[C@@]1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@H]1c1ccccc1 ZINC000501743837 910804578 /nfs/dbraw/zinc/80/45/78/910804578.db2.gz RIDUPRVQJWFSLQ-UPVQGACJSA-N -1 1 420.534 4.411 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)c2ccccc12 ZINC000501857223 910887824 /nfs/dbraw/zinc/88/78/24/910887824.db2.gz GEEAXCYUSGFVBZ-UHFFFAOYSA-N -1 1 424.522 4.338 20 0 HIADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000502054484 911005055 /nfs/dbraw/zinc/00/50/55/911005055.db2.gz JKVRJSAAPNTSTD-HNNXBMFYSA-N -1 1 408.470 4.043 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C[C@H](C)C1 ZINC000502197295 911139781 /nfs/dbraw/zinc/13/97/81/911139781.db2.gz MZVMTGQQUUUADC-JKSUJKDBSA-N -1 1 404.507 4.135 20 0 HIADMM O=S(=O)([N-]Cc1ccc(Cl)s1)c1c(Cl)cc(F)cc1Br ZINC000502417445 911396572 /nfs/dbraw/zinc/39/65/72/911396572.db2.gz FQYKHLIMTKOZGO-UHFFFAOYSA-N -1 1 419.124 4.435 20 0 HIADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c3cc(=O)[nH][n-]3)cc1)O[C@H](C)C2 ZINC000502687984 911727662 /nfs/dbraw/zinc/72/76/62/911727662.db2.gz UCKAENSLLBXOLG-FMEYXAORSA-N -1 1 419.481 4.247 20 0 HIADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000502806848 911825092 /nfs/dbraw/zinc/82/50/92/911825092.db2.gz ACBBCLIOUHZRTF-UHFFFAOYSA-N -1 1 409.511 4.260 20 0 HIADMM O=S(=O)([N-]c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000513369135 921743193 /nfs/dbraw/zinc/74/31/93/921743193.db2.gz AYKGNQDBMZEPNZ-AWEZNQCLSA-N -1 1 419.396 4.203 20 0 HIADMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1csc(-c2ncccc2F)n1 ZINC000507385731 916145236 /nfs/dbraw/zinc/14/52/36/916145236.db2.gz KUBNUYKDLXHQSA-UHFFFAOYSA-N -1 1 415.450 4.178 20 0 HIADMM COCCCOc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1OC ZINC000507567047 916322605 /nfs/dbraw/zinc/32/26/05/916322605.db2.gz MOJJIKGGPOOPKJ-UHFFFAOYSA-N -1 1 401.484 4.065 20 0 HIADMM COCCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC ZINC000507572083 916326661 /nfs/dbraw/zinc/32/66/61/916326661.db2.gz XFJCXZRSPPGUGE-UHFFFAOYSA-N -1 1 420.314 4.218 20 0 HIADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)cc1Cl ZINC000507584684 916337930 /nfs/dbraw/zinc/33/79/30/916337930.db2.gz PPVQDFLQKPRDHC-UHFFFAOYSA-N -1 1 410.898 4.078 20 0 HIADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)ccc1F ZINC000507615626 916373743 /nfs/dbraw/zinc/37/37/43/916373743.db2.gz ZEOXTWWWBDNQEC-UHFFFAOYSA-N -1 1 406.660 4.245 20 0 HIADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)ccc1F ZINC000507635676 916393302 /nfs/dbraw/zinc/39/33/02/916393302.db2.gz JZPUEUKDLZRRHE-UHFFFAOYSA-N -1 1 406.660 4.245 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)c(Cl)c2)cc1 ZINC000507644594 916402234 /nfs/dbraw/zinc/40/22/34/916402234.db2.gz NAZJCEWGPFPLOL-UHFFFAOYSA-N -1 1 422.703 4.231 20 0 HIADMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000507917694 916799716 /nfs/dbraw/zinc/79/97/16/916799716.db2.gz LTUFSXRFPKAKAF-UHFFFAOYSA-N -1 1 419.430 4.072 20 0 HIADMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1C ZINC000507986120 916829115 /nfs/dbraw/zinc/82/91/15/916829115.db2.gz REXLXVKSVXFPCN-UHFFFAOYSA-N -1 1 415.536 4.175 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccn3)c2)cc1Cl ZINC000508038770 916867829 /nfs/dbraw/zinc/86/78/29/916867829.db2.gz VWVNMHXLPMHUKR-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000508216612 917033291 /nfs/dbraw/zinc/03/32/91/917033291.db2.gz UCLBJLKRFKFRMO-JOCHJYFZSA-N -1 1 406.507 4.213 20 0 HIADMM CCOc1cc(C(=O)N2CCc3cc(OCC)c(OCC)cc3C2)cc(Cl)c1[O-] ZINC000508261519 917080401 /nfs/dbraw/zinc/08/04/01/917080401.db2.gz AYGFZBQBKIVWKE-UHFFFAOYSA-N -1 1 419.905 4.440 20 0 HIADMM Cc1ccc(C(=O)N(C)CC(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000508443776 917228347 /nfs/dbraw/zinc/22/83/47/917228347.db2.gz SWLHTOWCMFYHBQ-UHFFFAOYSA-N -1 1 420.840 4.084 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)COC4)ccc2C)cc1 ZINC000508468158 917252622 /nfs/dbraw/zinc/25/26/22/917252622.db2.gz RXYQPCDDUDUPFW-UHFFFAOYSA-N -1 1 422.506 4.387 20 0 HIADMM O=C(Cc1cccc(O)c1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000508522064 917305680 /nfs/dbraw/zinc/30/56/80/917305680.db2.gz OWCFZVSBLHBSKR-UHFFFAOYSA-N -1 1 416.886 4.028 20 0 HIADMM CC[C@H]1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCO1 ZINC000508523506 917307208 /nfs/dbraw/zinc/30/72/08/917307208.db2.gz XHESWSVGJSDWRN-XLIONFOSSA-N -1 1 416.543 4.248 20 0 HIADMM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1nc[n-]c1C(=O)c1ccccc1 ZINC000508676988 917440184 /nfs/dbraw/zinc/44/01/84/917440184.db2.gz GERHFKAQBSHLAO-UHFFFAOYSA-N -1 1 405.845 4.041 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1 ZINC000509070305 917815171 /nfs/dbraw/zinc/81/51/71/917815171.db2.gz VODALOKABUIRED-OAHLLOKOSA-N -1 1 418.584 4.390 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1 ZINC000509070302 917815327 /nfs/dbraw/zinc/81/53/27/917815327.db2.gz VODALOKABUIRED-HNNXBMFYSA-N -1 1 418.584 4.390 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCc4c3cccc4F)c2)c1 ZINC000509076837 917821349 /nfs/dbraw/zinc/82/13/49/917821349.db2.gz HJQJQXGENHZBIX-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)cc1 ZINC000509095574 917835609 /nfs/dbraw/zinc/83/56/09/917835609.db2.gz FHABOPXZFCFMGJ-UHFFFAOYSA-N -1 1 414.449 4.297 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000509102401 917841559 /nfs/dbraw/zinc/84/15/59/917841559.db2.gz FMWIUEWJOBBSCF-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1Cl ZINC000509102916 917842723 /nfs/dbraw/zinc/84/27/23/917842723.db2.gz KUYLHNKMQPPEQR-UHFFFAOYSA-N -1 1 412.964 4.345 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000509339301 918006860 /nfs/dbraw/zinc/00/68/60/918006860.db2.gz VLJSAHSIXWDSNW-FCHUYYIVSA-N -1 1 416.525 4.328 20 0 HIADMM Cc1ccc([C@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1C ZINC000509343099 918008362 /nfs/dbraw/zinc/00/83/62/918008362.db2.gz JNEGNVSQRLEHDE-JOCHJYFZSA-N -1 1 416.525 4.466 20 0 HIADMM CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000509424712 918084571 /nfs/dbraw/zinc/08/45/71/918084571.db2.gz FAPOWUIRLJNXCR-UHFFFAOYSA-N -1 1 419.481 4.167 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2NC(C)=O)cc1 ZINC000509553783 918203583 /nfs/dbraw/zinc/20/35/83/918203583.db2.gz HWMIDADNPIESDW-UHFFFAOYSA-N -1 1 412.458 4.293 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c[nH]1 ZINC000509663361 918296590 /nfs/dbraw/zinc/29/65/90/918296590.db2.gz HELKLUPRXONAOI-UHFFFAOYSA-N -1 1 408.888 4.318 20 0 HIADMM Cc1ccc(C)c([C@H](C)N(C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000509681516 918310918 /nfs/dbraw/zinc/31/09/18/918310918.db2.gz CFOQLBNZMDESOV-SFHVURJKSA-N -1 1 404.514 4.322 20 0 HIADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)n1 ZINC000510021523 918597244 /nfs/dbraw/zinc/59/72/44/918597244.db2.gz ZJJXVEHOEOPZFA-UHFFFAOYSA-N -1 1 420.400 4.300 20 0 HIADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2csc3ccccc32)c2ccc(Cl)cc2)no1 ZINC000510044237 918615152 /nfs/dbraw/zinc/61/51/52/918615152.db2.gz QOTLVJAIAIKHRG-KRWDZBQOSA-N -1 1 419.915 4.314 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000510104438 918667933 /nfs/dbraw/zinc/66/79/33/918667933.db2.gz LBHZXGCWMLSNIP-QHCPKHFHSA-N -1 1 424.504 4.200 20 0 HIADMM C[C@@H](CC1CCCC1)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000511163979 919784250 /nfs/dbraw/zinc/78/42/50/919784250.db2.gz AOXNZMORPXCSEQ-KRWDZBQOSA-N -1 1 400.544 4.320 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)c2ccccc12 ZINC000511259777 919860037 /nfs/dbraw/zinc/86/00/37/919860037.db2.gz JWNIBWPYCDHJLV-UHFFFAOYSA-N -1 1 424.522 4.275 20 0 HIADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000511676263 920340134 /nfs/dbraw/zinc/34/01/34/920340134.db2.gz SKCYZLGPMARKAH-UHFFFAOYSA-N -1 1 418.927 4.391 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000511699847 920364291 /nfs/dbraw/zinc/36/42/91/920364291.db2.gz VFZCQIMZVKOMJH-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC[C@@H]3C)c2)cc1F ZINC000511792838 920486420 /nfs/dbraw/zinc/48/64/20/920486420.db2.gz JRDSWSAIECIFNO-INIZCTEOSA-N -1 1 404.507 4.340 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCCC[C@@H]3C)c2)cc1 ZINC000511812721 920509542 /nfs/dbraw/zinc/50/95/42/920509542.db2.gz ZOEWQXFZZYVRGP-KRWDZBQOSA-N -1 1 416.543 4.291 20 0 HIADMM C[C@@H]1CCCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000511813985 920509805 /nfs/dbraw/zinc/50/98/05/920509805.db2.gz NTVCNMZOQMJTTP-CQSZACIVSA-N -1 1 408.470 4.170 20 0 HIADMM Cc1nscc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000511822624 920520331 /nfs/dbraw/zinc/52/03/31/920520331.db2.gz JCQFUEUMZAHMEC-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CC(C)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000513681226 922001967 /nfs/dbraw/zinc/00/19/67/922001967.db2.gz YXEQCMYTAZCODY-SFHVURJKSA-N -1 1 400.544 4.386 20 0 HIADMM CC[C@H]1C[C@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513721420 922041386 /nfs/dbraw/zinc/04/13/86/922041386.db2.gz WPNPBZRUYQBBEP-APWZRJJASA-N -1 1 402.516 4.021 20 0 HIADMM CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc(COC)c3)ccc2s1 ZINC000513820236 922143649 /nfs/dbraw/zinc/14/36/49/922143649.db2.gz LRERLRNRZINDSN-UHFFFAOYSA-N -1 1 405.497 4.025 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc(Cl)c1[O-] ZINC000514519400 922672295 /nfs/dbraw/zinc/67/22/95/922672295.db2.gz SPMILPBPJOLXLG-QGZVFWFLSA-N -1 1 405.878 4.439 20 0 HIADMM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000514628500 922731357 /nfs/dbraw/zinc/73/13/57/922731357.db2.gz GRJJUTBPCCHPIV-RTHLEPHNSA-N -1 1 420.687 4.042 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCc4ccccc4C3)c2)cc1 ZINC000514641185 922742721 /nfs/dbraw/zinc/74/27/21/922742721.db2.gz IQDPOJJUBPIBCT-JOCHJYFZSA-N -1 1 420.534 4.083 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(=O)[O-])c1 ZINC000514853207 922825723 /nfs/dbraw/zinc/82/57/23/922825723.db2.gz FWQWLMROBAFHAD-UHFFFAOYSA-N -1 1 401.465 4.117 20 0 HIADMM Cc1c[nH]cc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000515532707 923158782 /nfs/dbraw/zinc/15/87/82/923158782.db2.gz YEAWJKKZAAPOIS-UHFFFAOYSA-N -1 1 403.891 4.338 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1F ZINC000515611067 923214017 /nfs/dbraw/zinc/21/40/17/923214017.db2.gz RWWFMKMMZVXAET-UHFFFAOYSA-N -1 1 424.469 4.293 20 0 HIADMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000515634747 923235769 /nfs/dbraw/zinc/23/57/69/923235769.db2.gz PNHYJQDLZYWBKE-UHFFFAOYSA-N -1 1 406.507 4.355 20 0 HIADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 ZINC000515652601 923244060 /nfs/dbraw/zinc/24/40/60/923244060.db2.gz PJNSSQGXKWHRBW-UHFFFAOYSA-N -1 1 420.840 4.218 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000515695694 923278619 /nfs/dbraw/zinc/27/86/19/923278619.db2.gz QFUGVLOZEJXMIX-QGZVFWFLSA-N -1 1 416.543 4.291 20 0 HIADMM Cc1cc(C)cc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)c1 ZINC000515697591 923280804 /nfs/dbraw/zinc/28/08/04/923280804.db2.gz IXTHQGJYBHNKFD-UHFFFAOYSA-N -1 1 424.478 4.341 20 0 HIADMM O=C1NCc2c1cccc2[N-]S(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000515700231 923283976 /nfs/dbraw/zinc/28/39/76/923283976.db2.gz MECTVPQSYQMYHU-UHFFFAOYSA-N -1 1 414.870 4.177 20 0 HIADMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC2CCCC2)c1 ZINC000515931733 923447427 /nfs/dbraw/zinc/44/74/27/923447427.db2.gz USNBOXQAXIRXLQ-UHFFFAOYSA-N -1 1 409.891 4.089 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)c2ccccc12 ZINC000516240451 923623218 /nfs/dbraw/zinc/62/32/18/923623218.db2.gz XTVWSFLLQZCDIN-UHFFFAOYSA-N -1 1 410.499 4.365 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cc(C(C)C)[nH]n2)c1 ZINC000516354833 923685403 /nfs/dbraw/zinc/68/54/03/923685403.db2.gz PHWBQGPXSQAWMB-UHFFFAOYSA-N -1 1 416.478 4.034 20 0 HIADMM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000516536838 923786815 /nfs/dbraw/zinc/78/68/15/923786815.db2.gz XBKUCVOPAPFEQH-LBPRGKRZSA-N -1 1 414.874 4.315 20 0 HIADMM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000516536838 923786826 /nfs/dbraw/zinc/78/68/26/923786826.db2.gz XBKUCVOPAPFEQH-LBPRGKRZSA-N -1 1 414.874 4.315 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)c2)n[nH]1 ZINC000517733265 926818245 /nfs/dbraw/zinc/81/82/45/926818245.db2.gz MSRLZEUIRUQWKQ-UHFFFAOYSA-N -1 1 402.479 4.152 20 0 HIADMM O=C(Cc1ccccc1)Nc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1F ZINC000517782387 926834036 /nfs/dbraw/zinc/83/40/36/926834036.db2.gz JIPKZTOJGWZQCI-UHFFFAOYSA-N -1 1 400.356 4.243 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1cc(Br)ccc1Cl ZINC000518329477 927195503 /nfs/dbraw/zinc/19/55/03/927195503.db2.gz XNILYKYYJJCKMN-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM Cc1ccc(-c2noc(CCCSc3nc(C(F)(F)F)cc(=O)[n-]3)n2)cc1F ZINC000518338349 927202138 /nfs/dbraw/zinc/20/21/38/927202138.db2.gz FNHRVEQFHVIFRL-UHFFFAOYSA-N -1 1 414.384 4.423 20 0 HIADMM CCC1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000518411421 927252307 /nfs/dbraw/zinc/25/23/07/927252307.db2.gz URGUPCXVTABALB-UHFFFAOYSA-N -1 1 406.935 4.403 20 0 HIADMM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000518547430 927338690 /nfs/dbraw/zinc/33/86/90/927338690.db2.gz GEWBPBHDNGBUBX-FCHUYYIVSA-N -1 1 422.506 4.238 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1C ZINC000518560699 927346566 /nfs/dbraw/zinc/34/65/66/927346566.db2.gz LAYIBBUCNBWCJH-UHFFFAOYSA-N -1 1 406.935 4.384 20 0 HIADMM Cn1ccnc1Sc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000518673271 927420404 /nfs/dbraw/zinc/42/04/04/927420404.db2.gz WSDJOJSYVGUVMA-UHFFFAOYSA-N -1 1 411.911 4.306 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000518761076 927481683 /nfs/dbraw/zinc/48/16/83/927481683.db2.gz IVZSRSOLHXRISD-UHFFFAOYSA-N -1 1 402.516 4.412 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2N2CCCCC2)cc1 ZINC000518858331 927564201 /nfs/dbraw/zinc/56/42/01/927564201.db2.gz RFLXUDJCCJGTNT-INIZCTEOSA-N -1 1 415.559 4.090 20 0 HIADMM CCc1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000518902291 927613487 /nfs/dbraw/zinc/61/34/87/927613487.db2.gz BLOZXMOFOSDNSH-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cccc(F)c4)nc3c2)cc1 ZINC000519012515 927691977 /nfs/dbraw/zinc/69/19/77/927691977.db2.gz HCLNUMXDFPLOPY-UHFFFAOYSA-N -1 1 424.457 4.128 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c(C)c1 ZINC000519059254 927735405 /nfs/dbraw/zinc/73/54/05/927735405.db2.gz TYAPFQRHWGWCOX-MRXNPFEDSA-N -1 1 400.544 4.285 20 0 HIADMM C[C@H](C1CC1)N(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1CC1 ZINC000519134925 927800024 /nfs/dbraw/zinc/80/00/24/927800024.db2.gz RRGNHJRMYQGRQZ-CYBMUJFWSA-N -1 1 420.481 4.169 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000519217400 927831822 /nfs/dbraw/zinc/83/18/22/927831822.db2.gz FLWMIWSAGWCMMX-UHFFFAOYSA-N -1 1 424.887 4.396 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl)N1CCCCC1 ZINC000519323976 927880849 /nfs/dbraw/zinc/88/08/49/927880849.db2.gz LHSHGULXLINROL-UHFFFAOYSA-N -1 1 418.946 4.256 20 0 HIADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000519437402 927947152 /nfs/dbraw/zinc/94/71/52/927947152.db2.gz ANBTXXTVJQQGBX-UHFFFAOYSA-N -1 1 401.491 4.459 20 0 HIADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000519976829 928202315 /nfs/dbraw/zinc/20/23/15/928202315.db2.gz IUXPUPBQAOWNQM-INIZCTEOSA-N -1 1 412.486 4.444 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)cc1 ZINC000520017851 928242704 /nfs/dbraw/zinc/24/27/04/928242704.db2.gz WFTGHWMKXPUHDG-UHFFFAOYSA-N -1 1 402.516 4.295 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1OCC ZINC000520037786 928261857 /nfs/dbraw/zinc/26/18/57/928261857.db2.gz ZXJAVBXNGWREAK-UHFFFAOYSA-N -1 1 407.385 4.443 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Nc3nc(C)cs3)cc2)c(=O)[n-]1 ZINC000520304272 928466423 /nfs/dbraw/zinc/46/64/23/928466423.db2.gz AVWLMOCHEXWQGN-UHFFFAOYSA-N -1 1 415.544 4.292 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000520492281 928596862 /nfs/dbraw/zinc/59/68/62/928596862.db2.gz AOPGROHFNROAQF-OAHLLOKOSA-N -1 1 415.497 4.406 20 0 HIADMM O=S(=O)([N-]c1ccc(I)cc1)c1ccc(C(F)F)cc1 ZINC000520645450 928695838 /nfs/dbraw/zinc/69/58/38/928695838.db2.gz NGTZDDCLNBYZEP-UHFFFAOYSA-N -1 1 409.195 4.030 20 0 HIADMM CCc1nc(-c2ccc(C(=O)Nc3c([O-])cc(Br)cc3Cl)cc2)n[nH]1 ZINC000520782923 928815712 /nfs/dbraw/zinc/81/57/12/928815712.db2.gz LWJKVJOINURDQH-UHFFFAOYSA-N -1 1 421.682 4.408 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)c3ccccn3)cc2)cc1C ZINC000520941174 928883854 /nfs/dbraw/zinc/88/38/54/928883854.db2.gz XTUQZVDZEXXOLA-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000520994989 928911499 /nfs/dbraw/zinc/91/14/99/928911499.db2.gz LDKHEYCLCUQBAM-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1csc(N(C)C(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC000521017235 928934963 /nfs/dbraw/zinc/93/49/63/928934963.db2.gz HLNSQTVOZLJTHD-UHFFFAOYSA-N -1 1 415.540 4.146 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nc(Cc3ccccc3)no2)cc1 ZINC000521019646 928936665 /nfs/dbraw/zinc/93/66/65/928936665.db2.gz YLPYHVFIAUOXOQ-UHFFFAOYSA-N -1 1 409.442 4.267 20 0 HIADMM COc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1Cl ZINC000521218549 929064026 /nfs/dbraw/zinc/06/40/26/929064026.db2.gz KBPPWLFNHZNDRS-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000521335185 929148718 /nfs/dbraw/zinc/14/87/18/929148718.db2.gz QEIVPQFVEOGUEX-UHFFFAOYSA-N -1 1 404.385 4.249 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)ccc1OC(C)C ZINC000521338166 929152485 /nfs/dbraw/zinc/15/24/85/929152485.db2.gz QZYKIZNTQVGZRQ-IBGZPJMESA-N -1 1 405.516 4.141 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(CCc2ccc(O)cc2)CC1 ZINC000521568511 929302341 /nfs/dbraw/zinc/30/23/41/929302341.db2.gz KOTHMIJWVKWJAK-UHFFFAOYSA-N -1 1 404.304 4.345 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)c(C)c1 ZINC000521676170 929360762 /nfs/dbraw/zinc/36/07/62/929360762.db2.gz CVDOOZFZIFNUFX-QGZVFWFLSA-N -1 1 414.527 4.489 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)ccc1C(N)=O ZINC000521751166 929411524 /nfs/dbraw/zinc/41/15/24/929411524.db2.gz SVBXNEZMCQDVSF-UHFFFAOYSA-N -1 1 416.886 4.340 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc2c(c1)CCCC2=O ZINC000521882316 929533963 /nfs/dbraw/zinc/53/39/63/929533963.db2.gz DPDOTVJDJDEIDB-UHFFFAOYSA-N -1 1 420.490 4.259 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)C1(C(F)F)CCCC1 ZINC000521939968 929577392 /nfs/dbraw/zinc/57/73/92/929577392.db2.gz QHTXYCULWFFEHX-UHFFFAOYSA-N -1 1 422.497 4.271 20 0 HIADMM CC[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)(C)c1ccccc1 ZINC000524650094 929762098 /nfs/dbraw/zinc/76/20/98/929762098.db2.gz DMXVWTDVVIZPSG-NRFANRHFSA-N -1 1 418.541 4.358 20 0 HIADMM CC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)(C)c1ccccc1 ZINC000524650095 929762849 /nfs/dbraw/zinc/76/28/49/929762849.db2.gz DMXVWTDVVIZPSG-OAQYLSRUSA-N -1 1 418.541 4.358 20 0 HIADMM CC[C@@H]1CCCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000524749433 929817675 /nfs/dbraw/zinc/81/76/75/929817675.db2.gz GFAYHRJYLCHYNF-LJQANCHMSA-N -1 1 404.507 4.421 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(CSC4CCCC4)c3)cc2CC1=O ZINC000524853762 929859193 /nfs/dbraw/zinc/85/91/93/929859193.db2.gz IDCNXDSSGPXYCY-UHFFFAOYSA-N -1 1 416.568 4.182 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C(C)C)C3CCC3)cc2)cc1 ZINC000524880512 929870283 /nfs/dbraw/zinc/87/02/83/929870283.db2.gz ZNCADNQWFOYDLT-UHFFFAOYSA-N -1 1 416.543 4.289 20 0 HIADMM CCCn1ccc2cc(NC(=O)Nc3ccc([N-]S(C)(=O)=O)c(OC)c3)ccc21 ZINC000524894360 929876588 /nfs/dbraw/zinc/87/65/88/929876588.db2.gz JTWXARSETQFKDS-UHFFFAOYSA-N -1 1 416.503 4.075 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c1 ZINC000525011306 929972281 /nfs/dbraw/zinc/97/22/81/929972281.db2.gz GUIBFOHERBSJJT-UHFFFAOYSA-N -1 1 416.886 4.298 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(COCc4ccccc4)cc3)cc2o1 ZINC000525018949 929978750 /nfs/dbraw/zinc/97/87/50/929978750.db2.gz KBQDAMXIUXAYMP-UHFFFAOYSA-N -1 1 410.451 4.051 20 0 HIADMM COc1cccc([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000525068315 930014895 /nfs/dbraw/zinc/01/48/95/930014895.db2.gz CPTZSFPKOKZJSB-INIZCTEOSA-N -1 1 410.495 4.238 20 0 HIADMM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000525201477 930085247 /nfs/dbraw/zinc/08/52/47/930085247.db2.gz ULVVTZFECKCSGX-LJQANCHMSA-N -1 1 404.507 4.277 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1Cl ZINC000525535858 930309070 /nfs/dbraw/zinc/30/90/70/930309070.db2.gz VFSZJFPYBHVJND-UHFFFAOYSA-N -1 1 417.918 4.171 20 0 HIADMM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000525602513 930357058 /nfs/dbraw/zinc/35/70/58/930357058.db2.gz ANPCYABNECTARK-LHSJRXKWSA-N -1 1 424.932 4.240 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)[C@H]3C)ccc2C)c1 ZINC000525608079 930360057 /nfs/dbraw/zinc/36/00/57/930360057.db2.gz HBKAJKKIIWSDCF-SJLPKXTDSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)c2)c1 ZINC000525615347 930363160 /nfs/dbraw/zinc/36/31/60/930363160.db2.gz RCIODXKEXIIOIT-NZQKXSOJSA-N -1 1 420.534 4.157 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000525756006 930432234 /nfs/dbraw/zinc/43/22/34/930432234.db2.gz RYMLYXVAJWKOSW-CYBMUJFWSA-N -1 1 412.202 4.170 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)cc1C ZINC000525822205 930457593 /nfs/dbraw/zinc/45/75/93/930457593.db2.gz CUSSZCKSSQKFIK-UHFFFAOYSA-N -1 1 405.516 4.079 20 0 HIADMM Cc1ccc2c(c1)N(C(=O)c1cccc([N-]S(=O)(=O)c3ccccc3)c1)C[C@@H](C)O2 ZINC000530637155 930781761 /nfs/dbraw/zinc/78/17/61/930781761.db2.gz BDWXGKFETPIDHN-QGZVFWFLSA-N -1 1 422.506 4.224 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1 ZINC000530714091 930805975 /nfs/dbraw/zinc/80/59/75/930805975.db2.gz NELTXYXITYUEBD-UHFFFAOYSA-N -1 1 413.499 4.491 20 0 HIADMM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000530777411 930821125 /nfs/dbraw/zinc/82/11/25/930821125.db2.gz GJCLTDDGHKVFJJ-FYSMJZIKSA-N -1 1 406.530 4.293 20 0 HIADMM C[C@@H]1c2ccccc2CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000531124633 930932462 /nfs/dbraw/zinc/93/24/62/930932462.db2.gz XOYZMISAUOAOOF-QGZVFWFLSA-N -1 1 406.507 4.247 20 0 HIADMM CC(C)n1cc([C@@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)cn1 ZINC000531195213 930961448 /nfs/dbraw/zinc/96/14/48/930961448.db2.gz BRDIQTLNOWUOAT-CYBMUJFWSA-N -1 1 421.473 4.111 20 0 HIADMM Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(F)cc3[O-])[nH]c(=O)c2c1C ZINC000531756079 931183898 /nfs/dbraw/zinc/18/38/98/931183898.db2.gz ZLCXOXIXLQAVMU-JTQLQIEISA-N -1 1 407.492 4.119 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)cc3O)c2)cc1F ZINC000531756364 931183996 /nfs/dbraw/zinc/18/39/96/931183996.db2.gz UNETYZJXURFKIS-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)c2)cs1 ZINC000531776151 931192081 /nfs/dbraw/zinc/19/20/81/931192081.db2.gz PIJLVHCKHVSDME-UHFFFAOYSA-N -1 1 413.524 4.149 20 0 HIADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccccc3CCC(F)(F)F)ccc2NC1=O ZINC000531791298 931198882 /nfs/dbraw/zinc/19/88/82/931198882.db2.gz LFWSXEVOUVVXEY-UHFFFAOYSA-N -1 1 412.433 4.212 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)ccc1C ZINC000532037404 931293868 /nfs/dbraw/zinc/29/38/68/931293868.db2.gz RGQMYVPLZPPBJF-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000532038255 931293904 /nfs/dbraw/zinc/29/39/04/931293904.db2.gz QIEQESOTPGADIQ-UHFFFAOYSA-N -1 1 423.943 4.147 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(CCc2ccc(F)cc2)C2CCCC2)c(=O)[n-]1 ZINC000532051280 931297748 /nfs/dbraw/zinc/29/77/48/931297748.db2.gz FZPZXUDLXIWZLX-UHFFFAOYSA-N -1 1 417.550 4.298 20 0 HIADMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])oc1C ZINC000532266286 931376280 /nfs/dbraw/zinc/37/62/80/931376280.db2.gz ZKSKRCQZCRWKFI-UHFFFAOYSA-N -1 1 420.874 4.309 20 0 HIADMM Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(F)cc4[O-])c(=O)c23)cc1 ZINC000532621007 931556830 /nfs/dbraw/zinc/55/68/30/931556830.db2.gz BSTWIYNLUJHHNS-UHFFFAOYSA-N -1 1 423.469 4.307 20 0 HIADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000532622214 931557382 /nfs/dbraw/zinc/55/73/82/931557382.db2.gz NRQZNDXROLJGHQ-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)c1 ZINC000532989951 931729161 /nfs/dbraw/zinc/72/91/61/931729161.db2.gz DPSSYDILGDICAO-UHFFFAOYSA-N -1 1 422.506 4.357 20 0 HIADMM CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000533169098 931798112 /nfs/dbraw/zinc/79/81/12/931798112.db2.gz ZSUPEPQZUAHNIH-UHFFFAOYSA-N -1 1 421.368 4.131 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c1 ZINC000533648319 931944019 /nfs/dbraw/zinc/94/40/19/931944019.db2.gz IETBNXWDSQJLCE-UHFFFAOYSA-N -1 1 419.409 4.328 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)c1 ZINC000533686599 931970329 /nfs/dbraw/zinc/97/03/29/931970329.db2.gz FFXDFHNKGZQTJH-UHFFFAOYSA-N -1 1 422.391 4.424 20 0 HIADMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000533690492 931972072 /nfs/dbraw/zinc/97/20/72/931972072.db2.gz YMOFSUNFJKGBKK-UHFFFAOYSA-N -1 1 419.446 4.161 20 0 HIADMM Cc1ccc(C(=O)N(C)[C@@H]2CCSC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000533748805 932007400 /nfs/dbraw/zinc/00/74/00/932007400.db2.gz YGSDFEBAVSAJPH-QGZVFWFLSA-N -1 1 424.975 4.027 20 0 HIADMM O=S(=O)([N-][C@H](CO)c1ccc(C(F)(F)F)cc1)c1cc(Cl)sc1Cl ZINC000533907967 932093572 /nfs/dbraw/zinc/09/35/72/932093572.db2.gz QMSCEDJOJFDOQI-SECBINFHSA-N -1 1 420.261 4.086 20 0 HIADMM Cn1c2ccc([N-]S(=O)(=O)c3cccc(Br)c3)cc2nc1C1CC1 ZINC000534057551 932234779 /nfs/dbraw/zinc/23/47/79/932234779.db2.gz KSNMOAPVKNPPCX-UHFFFAOYSA-N -1 1 406.305 4.014 20 0 HIADMM CC(C)(c1nnc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)s1)c1ccccc1 ZINC000534073570 932251655 /nfs/dbraw/zinc/25/16/55/932251655.db2.gz VIIKHHDJMDEWMQ-CYBMUJFWSA-N -1 1 400.529 4.424 20 0 HIADMM COc1ccc(Sc2nsc([N-]C(=O)c3csc([C@@H]4CCCO4)n3)n2)cc1 ZINC000534474625 932504715 /nfs/dbraw/zinc/50/47/15/932504715.db2.gz KQMXKWNLBFTTJA-ZDUSSCGKSA-N -1 1 420.541 4.258 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2C)cc1CC ZINC000534498612 932533855 /nfs/dbraw/zinc/53/38/55/932533855.db2.gz FIRFKDYHLSIJTM-UHFFFAOYSA-N -1 1 400.544 4.157 20 0 HIADMM O=C(N=c1nc(-c2ccccc2)[n-]s1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000534567836 932570121 /nfs/dbraw/zinc/57/01/21/932570121.db2.gz KVGDQDJANAAIFR-UHFFFAOYSA-N -1 1 414.494 4.186 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1cc(F)cc(Cl)c1 ZINC000535136797 932956012 /nfs/dbraw/zinc/95/60/12/932956012.db2.gz DUPJYDLOXMIZTF-UHFFFAOYSA-N -1 1 420.897 4.265 20 0 HIADMM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535137257 932956044 /nfs/dbraw/zinc/95/60/44/932956044.db2.gz IHZIUWZCZXOTKO-XMMPIXPASA-N -1 1 403.928 4.327 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](c3cccnc3)C3CC3)c2)c1 ZINC000535453540 933145650 /nfs/dbraw/zinc/14/56/50/933145650.db2.gz QLUUUAPPLFGKPJ-JOCHJYFZSA-N -1 1 421.522 4.072 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4ccsc4C3)c2)c1 ZINC000535564141 933245218 /nfs/dbraw/zinc/24/52/18/933245218.db2.gz VMEDXXNIVRGIJG-UHFFFAOYSA-N -1 1 412.536 4.056 20 0 HIADMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CCOCC1 ZINC000535883015 933463630 /nfs/dbraw/zinc/46/36/30/933463630.db2.gz OSCANGSBQXQYQA-AWEZNQCLSA-N -1 1 422.934 4.142 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1Cl ZINC000537395519 933755854 /nfs/dbraw/zinc/75/58/54/933755854.db2.gz WOKOZIRXFBDJFT-UHFFFAOYSA-N -1 1 415.858 4.353 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000537726959 938364217 /nfs/dbraw/zinc/36/42/17/938364217.db2.gz LTERHKPYHGVMJV-UHFFFAOYSA-N -1 1 418.409 4.212 20 0 HIADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(I)c2)c(C)c1 ZINC000538008092 938459445 /nfs/dbraw/zinc/45/94/45/938459445.db2.gz CXJWOWYSPJOKIT-UHFFFAOYSA-N -1 1 401.269 4.017 20 0 HIADMM O=S(=O)([N-]c1ccc(CN2CCOCC2)cc1)c1ccc2oc3ccccc3c2c1 ZINC000538010921 938461455 /nfs/dbraw/zinc/46/14/55/938461455.db2.gz YUNBZIWMBNXQMO-UHFFFAOYSA-N -1 1 422.506 4.219 20 0 HIADMM COCCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1Cl ZINC000538013962 938462146 /nfs/dbraw/zinc/46/21/46/938462146.db2.gz LOLVAWNYADQMPI-UHFFFAOYSA-N -1 1 408.278 4.267 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000538052081 938484601 /nfs/dbraw/zinc/48/46/01/938484601.db2.gz PQEDPPRIMHYEHL-KGLIPLIRSA-N -1 1 417.289 4.246 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)cc1 ZINC000538138519 938516645 /nfs/dbraw/zinc/51/66/45/938516645.db2.gz RWXKSSJYZGIKAU-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000538252515 938574805 /nfs/dbraw/zinc/57/48/05/938574805.db2.gz DHFHRJLGCXTULZ-UHFFFAOYSA-N -1 1 411.524 4.262 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc3c(Cl)ccc(C)c3n2)c(=O)[n-]1 ZINC000538416358 938615589 /nfs/dbraw/zinc/61/55/89/938615589.db2.gz YMTPEFLVDCVRSF-UHFFFAOYSA-N -1 1 402.907 4.294 20 0 HIADMM Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000538742310 938699002 /nfs/dbraw/zinc/69/90/02/938699002.db2.gz DZWDNSZEYNUZEI-QGZVFWFLSA-N -1 1 414.303 4.409 20 0 HIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC000538755637 938703083 /nfs/dbraw/zinc/70/30/83/938703083.db2.gz GOAIVHGNYZILEI-UHFFFAOYSA-N -1 1 405.348 4.326 20 0 HIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1Cl ZINC000539238265 938823404 /nfs/dbraw/zinc/82/34/04/938823404.db2.gz CVMUKVITAPKBKG-UHFFFAOYSA-N -1 1 424.950 4.206 20 0 HIADMM O=C(c1cc(Cl)ccc1Oc1cccc(Cl)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539325098 938841561 /nfs/dbraw/zinc/84/15/61/938841561.db2.gz DJIIAWCEPOBJQF-LBPRGKRZSA-N -1 1 418.284 4.319 20 0 HIADMM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1c(F)ccc([O-])c1F ZINC000539414770 938857445 /nfs/dbraw/zinc/85/74/45/938857445.db2.gz LOWKYYXZENCBJY-UHFFFAOYSA-N -1 1 415.358 4.167 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccccc3-c3cccs3)cc2)CC1 ZINC000539549369 938878342 /nfs/dbraw/zinc/87/83/42/938878342.db2.gz MUGJRBJUKJCYJR-UHFFFAOYSA-N -1 1 413.520 4.421 20 0 HIADMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1coc(-c2ccccc2Cl)n1 ZINC000539564524 938880980 /nfs/dbraw/zinc/88/09/80/938880980.db2.gz QSBXETPQWBOGFM-UHFFFAOYSA-N -1 1 401.760 4.311 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)s1 ZINC000539853764 938958688 /nfs/dbraw/zinc/95/86/88/938958688.db2.gz LGYFUCAFXRNSGW-UHFFFAOYSA-N -1 1 411.377 4.388 20 0 HIADMM CC(C)c1ccc([C@@H](C)CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cc1 ZINC000539986957 939030092 /nfs/dbraw/zinc/03/00/92/939030092.db2.gz VUVUJKBSVZILDA-HNNXBMFYSA-N -1 1 416.543 4.089 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000540070289 939057769 /nfs/dbraw/zinc/05/77/69/939057769.db2.gz BRWRVRYPQICAKP-SFTDATJTSA-N -1 1 424.497 4.046 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1 ZINC000540214012 939131890 /nfs/dbraw/zinc/13/18/90/939131890.db2.gz SJVUVAPTALDABO-IBGZPJMESA-N -1 1 401.488 4.002 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000540234327 939154241 /nfs/dbraw/zinc/15/42/41/939154241.db2.gz YEBBAWVXMRUJAK-IBGZPJMESA-N -1 1 420.600 4.318 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(OC(C)C)c2)cc1 ZINC000540292206 939184520 /nfs/dbraw/zinc/18/45/20/939184520.db2.gz SOTQOBHSMMSFGX-UHFFFAOYSA-N -1 1 414.321 4.184 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc(OC)c1Br ZINC000540496704 939276567 /nfs/dbraw/zinc/27/65/67/939276567.db2.gz PVWIGMLHYRGOKT-UHFFFAOYSA-N -1 1 418.284 4.023 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1Cl ZINC000540912037 939416281 /nfs/dbraw/zinc/41/62/81/939416281.db2.gz BIFSFUONYLNMMR-UHFFFAOYSA-N -1 1 413.948 4.166 20 0 HIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)c2C1 ZINC000541007114 939429891 /nfs/dbraw/zinc/42/98/91/939429891.db2.gz IHNGZKKJIBDFJD-UHFFFAOYSA-N -1 1 416.877 4.468 20 0 HIADMM Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000541061594 939445575 /nfs/dbraw/zinc/44/55/75/939445575.db2.gz ZQSWFGLUXQCZOB-UHFFFAOYSA-N -1 1 424.526 4.131 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1ccc(OCC(F)F)cc1 ZINC000541306273 939490333 /nfs/dbraw/zinc/49/03/33/939490333.db2.gz GEHUOGSAHKPHJX-UHFFFAOYSA-N -1 1 420.437 4.105 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)c(C)c1F ZINC000542094879 939711244 /nfs/dbraw/zinc/71/12/44/939711244.db2.gz WXIVYCABRCFAHZ-UHFFFAOYSA-N -1 1 408.495 4.237 20 0 HIADMM CC(C)(C)n1cnc([N-]C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)n1 ZINC000542249662 939772669 /nfs/dbraw/zinc/77/26/69/939772669.db2.gz WICXNLHIYIOYOP-UHFFFAOYSA-N -1 1 410.261 4.159 20 0 HIADMM CN(Cc1nc(C2CC2)cs1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000542281091 939783801 /nfs/dbraw/zinc/78/38/01/939783801.db2.gz VBANIMVOANCMOV-UHFFFAOYSA-N -1 1 413.568 4.453 20 0 HIADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2)cc1 ZINC000542437126 939822329 /nfs/dbraw/zinc/82/23/29/939822329.db2.gz NQYNJIQLDXHZAI-NRFANRHFSA-N -1 1 420.534 4.426 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000542452767 939825636 /nfs/dbraw/zinc/82/56/36/939825636.db2.gz VLBGHQQWMHNWSH-QGZVFWFLSA-N -1 1 405.502 4.228 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2scnc2-c2ccccc2)c1 ZINC000542595761 939847392 /nfs/dbraw/zinc/84/73/92/939847392.db2.gz PHJIXTFXQSEHTD-UHFFFAOYSA-N -1 1 420.450 4.317 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(CNc3ccncn3)c2)c1 ZINC000542672530 939853234 /nfs/dbraw/zinc/85/32/34/939853234.db2.gz RAVLXDYJQWCWMX-UHFFFAOYSA-N -1 1 413.275 4.118 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000542736581 939858125 /nfs/dbraw/zinc/85/81/25/939858125.db2.gz YCXSZUNNIGXPSE-UHFFFAOYSA-N -1 1 404.532 4.459 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1Cl ZINC000543023270 939897349 /nfs/dbraw/zinc/89/73/49/939897349.db2.gz LNSFGKRKWZDHGZ-UHFFFAOYSA-N -1 1 406.660 4.245 20 0 HIADMM CCOc1ccc(C(=O)c2ccccc2C(=O)Nc2ncccc2[O-])cc1OCC ZINC000543094646 939939801 /nfs/dbraw/zinc/93/98/01/939939801.db2.gz BABRPJZNCGNLMT-UHFFFAOYSA-N -1 1 406.438 4.068 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000543665729 940155005 /nfs/dbraw/zinc/15/50/05/940155005.db2.gz FRYXXWHICRGYKV-UHFFFAOYSA-N -1 1 416.543 4.467 20 0 HIADMM CC(C)OCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000544039228 940307197 /nfs/dbraw/zinc/30/71/97/940307197.db2.gz KQRDCDATAPEMDS-UHFFFAOYSA-N -1 1 424.950 4.076 20 0 HIADMM Cc1cccc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c1Br ZINC000544099463 940326885 /nfs/dbraw/zinc/32/68/85/940326885.db2.gz LWEZANLKASYDOX-GFCCVEGCSA-N -1 1 412.305 4.137 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2C)cc1C ZINC000544099419 940326974 /nfs/dbraw/zinc/32/69/74/940326974.db2.gz XUAOUPJDUTWGEQ-UHFFFAOYSA-N -1 1 413.499 4.349 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C(C)(C)C)C3)cc2)cc1 ZINC000544295395 940382103 /nfs/dbraw/zinc/38/21/03/940382103.db2.gz ZFWMFFGBWKVVRJ-KRWDZBQOSA-N -1 1 416.543 4.004 20 0 HIADMM CCC[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000544566846 940480805 /nfs/dbraw/zinc/48/08/05/940480805.db2.gz LYAALTLFHHFXIO-LJQANCHMSA-N -1 1 404.507 4.421 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C)(C)c3ccc(C)nc3)c2)c1 ZINC000544821013 940517373 /nfs/dbraw/zinc/51/73/73/940517373.db2.gz HKRYICKVUQIBJQ-UHFFFAOYSA-N -1 1 423.538 4.164 20 0 HIADMM CCc1cnccc1[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544887462 940521863 /nfs/dbraw/zinc/52/18/63/940521863.db2.gz SMQVOINHZRFBBC-INIZCTEOSA-N -1 1 424.526 4.328 20 0 HIADMM CCc1cccnc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000544962556 940528939 /nfs/dbraw/zinc/52/89/39/940528939.db2.gz CZQACFUIQSJDMB-UHFFFAOYSA-N -1 1 406.467 4.162 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc([C@H]3Cc4ccccc43)no2)cc1 ZINC000544985941 940530927 /nfs/dbraw/zinc/53/09/27/940530927.db2.gz UTEMOZUVPZRKRV-FQEVSTJZSA-N -1 1 403.463 4.225 20 0 HIADMM COC1(c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)cc3)n2)CCC1 ZINC000545105774 940543187 /nfs/dbraw/zinc/54/31/87/940543187.db2.gz VAMJEDUSLWZRRX-UHFFFAOYSA-N -1 1 413.499 4.180 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc(Cl)c1[O-] ZINC000545137380 940547998 /nfs/dbraw/zinc/54/79/98/940547998.db2.gz LTDAVXHPXONDCQ-GFCCVEGCSA-N -1 1 413.276 4.246 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)cc(Cl)c1[O-] ZINC000545149598 940551221 /nfs/dbraw/zinc/55/12/21/940551221.db2.gz HFTYPPWVQBIODP-UHFFFAOYSA-N -1 1 404.894 4.454 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4oc5ccccc5c4c3)cc3c2N1CCC3 ZINC000545197068 940555504 /nfs/dbraw/zinc/55/55/04/940555504.db2.gz ABOWPAYWUWYCRT-UHFFFAOYSA-N -1 1 418.474 4.222 20 0 HIADMM Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000545417195 940568976 /nfs/dbraw/zinc/56/89/76/940568976.db2.gz CKMNYQJPVLXLFV-AWEZNQCLSA-N -1 1 413.934 4.333 20 0 HIADMM O=C(c1cc(F)ccc1Sc1ccc(Cl)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000545418848 940569000 /nfs/dbraw/zinc/56/90/00/940569000.db2.gz XMJSVGSDPSJNJC-LBPRGKRZSA-N -1 1 417.897 4.163 20 0 HIADMM CC(C)(C)Oc1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000545496443 940572100 /nfs/dbraw/zinc/57/21/00/940572100.db2.gz YOTWAHZSBIDSRH-UHFFFAOYSA-N -1 1 411.239 4.426 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545512424 940572562 /nfs/dbraw/zinc/57/25/62/940572562.db2.gz VYNNOAVRQJTWHA-QGZVFWFLSA-N -1 1 407.561 4.093 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000545514846 940572688 /nfs/dbraw/zinc/57/26/88/940572688.db2.gz PCTARKAAYXXVLA-GCJKJVERSA-N -1 1 421.522 4.240 20 0 HIADMM Cc1ccnc(-c2noc(-c3cc(S(=O)(=O)[N-]c4ccc(F)cc4)ccc3C)n2)c1 ZINC000545588754 940576031 /nfs/dbraw/zinc/57/60/31/940576031.db2.gz QIUOEHDJNKIWQB-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CCSCc1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)n1 ZINC000545721335 940582304 /nfs/dbraw/zinc/58/23/04/940582304.db2.gz LVLOJORGOMECNC-UHFFFAOYSA-N -1 1 407.492 4.238 20 0 HIADMM CSc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)c(Cl)c1 ZINC000545802481 940602184 /nfs/dbraw/zinc/60/21/84/940602184.db2.gz DRSNJRCTZVMHLZ-VIFPVBQESA-N -1 1 415.949 4.213 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(CCC3CC3)no2)cc1)c1ccc(F)c(F)c1 ZINC000545824070 940616118 /nfs/dbraw/zinc/61/61/18/940616118.db2.gz ZKFMEBBWWJCKGC-UHFFFAOYSA-N -1 1 405.426 4.158 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)cc(Cl)c1[O-] ZINC000545853591 940636352 /nfs/dbraw/zinc/63/63/52/940636352.db2.gz HRCQPOHYNSEDBZ-OAHLLOKOSA-N -1 1 419.905 4.098 20 0 HIADMM CCOc1cc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)cc(Cl)c1[O-] ZINC000545878807 940650430 /nfs/dbraw/zinc/65/04/30/940650430.db2.gz RVTZESCUIQHNRN-UHFFFAOYSA-N -1 1 408.857 4.073 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)c1 ZINC000546152853 940714673 /nfs/dbraw/zinc/71/46/73/940714673.db2.gz IFGCKDHRHPODAT-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CC(C)OCc1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000546166147 940719112 /nfs/dbraw/zinc/71/91/12/940719112.db2.gz GWHBVDQFLRXGQZ-UHFFFAOYSA-N -1 1 411.239 4.174 20 0 HIADMM O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc(I)c([O-])c1 ZINC000546201586 940728501 /nfs/dbraw/zinc/72/85/01/940728501.db2.gz NTLRTBICPIBBAM-UHFFFAOYSA-N -1 1 416.218 4.311 20 0 HIADMM O=C(NCc1cc(F)ccc1F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546220292 940733420 /nfs/dbraw/zinc/73/34/20/940733420.db2.gz KITFKVCWNVWIAP-UHFFFAOYSA-N -1 1 417.437 4.087 20 0 HIADMM C[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1(C)C ZINC000546223638 940734334 /nfs/dbraw/zinc/73/43/34/940734334.db2.gz OMYHLEZAPSYSNC-MRXNPFEDSA-N -1 1 401.532 4.387 20 0 HIADMM Cc1ccc(C)c(SCc2noc(Cc3c(C)nc(-c4ccncc4)[n-]c3=O)n2)c1 ZINC000546229165 940736551 /nfs/dbraw/zinc/73/65/51/940736551.db2.gz JSPDGOKRMCUGOX-UHFFFAOYSA-N -1 1 419.510 4.023 20 0 HIADMM C[C@H](Oc1ccccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000564011601 945348509 /nfs/dbraw/zinc/34/85/09/945348509.db2.gz FGNMQMBXTAHQEB-INIZCTEOSA-N -1 1 411.479 4.255 20 0 HIADMM CC[C@@H](C)Oc1ccc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)cc1 ZINC000546455895 940824571 /nfs/dbraw/zinc/82/45/71/940824571.db2.gz FWNNLPFEUWHORP-CQSZACIVSA-N -1 1 417.469 4.371 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc(Cl)c1[O-] ZINC000546559654 940853022 /nfs/dbraw/zinc/85/30/22/940853022.db2.gz PEMZEWZQJRBEET-NSHDSACASA-N -1 1 419.840 4.433 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c1 ZINC000546860464 940896815 /nfs/dbraw/zinc/89/68/15/940896815.db2.gz HBCDOXZZTMDWCP-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc(I)c([O-])c1 ZINC000546899894 940906298 /nfs/dbraw/zinc/90/62/98/940906298.db2.gz BSSIJGVPXBZSJP-UHFFFAOYSA-N -1 1 420.206 4.268 20 0 HIADMM Cc1cc2cccnc2c(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000546921260 940913996 /nfs/dbraw/zinc/91/39/96/940913996.db2.gz RSMIZCQGZCOTEE-UHFFFAOYSA-N -1 1 404.207 4.106 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@@H](c1cccnc1)C1CC1 ZINC000546926157 940914935 /nfs/dbraw/zinc/91/49/35/940914935.db2.gz ZBNUBJUITZVRTN-OAQYLSRUSA-N -1 1 422.510 4.155 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc(-c2ncccc2C)no1 ZINC000547023053 940961489 /nfs/dbraw/zinc/96/14/89/940961489.db2.gz APXCRFRKONFEAN-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1Oc1ccc(C)nn1 ZINC000564059244 945366842 /nfs/dbraw/zinc/36/68/42/945366842.db2.gz KOVKRZILTCGKDM-UHFFFAOYSA-N -1 1 421.425 4.324 20 0 HIADMM Cc1ccccc1OCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000547157938 941015164 /nfs/dbraw/zinc/01/51/64/941015164.db2.gz NJRVJWGWNQAWFK-UHFFFAOYSA-N -1 1 421.478 4.425 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@@H]4CCO[C@H](C)C4)no3)cc2)cc1 ZINC000547211431 941033639 /nfs/dbraw/zinc/03/36/39/941033639.db2.gz QKQLTYKVIDCDHC-NVXWUHKLSA-N -1 1 413.499 4.128 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)c(C)c3)ccc21 ZINC000547255676 941045295 /nfs/dbraw/zinc/04/52/95/941045295.db2.gz ZCDPEZVEQRZYKB-UHFFFAOYSA-N -1 1 406.507 4.372 20 0 HIADMM CCOc1cc(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cc(Cl)c1[O-] ZINC000547257819 941045688 /nfs/dbraw/zinc/04/56/88/941045688.db2.gz XFQLPZILFHTQLV-UHFFFAOYSA-N -1 1 412.873 4.215 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc(Cl)c1[O-] ZINC000547268825 941049004 /nfs/dbraw/zinc/04/90/04/941049004.db2.gz TZJHYYMQJNSPQJ-LLVKDONJSA-N -1 1 419.840 4.433 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000547271004 941049531 /nfs/dbraw/zinc/04/95/31/941049531.db2.gz YBARDENZTLJFLE-KRWDZBQOSA-N -1 1 419.905 4.241 20 0 HIADMM Cc1ccc(Sc2nsc([N-]C(=O)c3coc(C4CCOCC4)n3)n2)cc1 ZINC000549183581 941169230 /nfs/dbraw/zinc/16/92/30/941169230.db2.gz FCODBRRHQDDZLD-UHFFFAOYSA-N -1 1 402.501 4.132 20 0 HIADMM Cn1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C1CCC1 ZINC000549337939 941181056 /nfs/dbraw/zinc/18/10/56/941181056.db2.gz XSNYIJNWDLJKSH-UHFFFAOYSA-N -1 1 409.511 4.346 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2noc(C(F)F)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000549723182 941205714 /nfs/dbraw/zinc/20/57/14/941205714.db2.gz LXHBDXRSIOOICR-UHFFFAOYSA-N -1 1 419.331 4.494 20 0 HIADMM CC(C)c1ccoc1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000550690789 941354678 /nfs/dbraw/zinc/35/46/78/941354678.db2.gz ULYFDOOXXNOJDH-UHFFFAOYSA-N -1 1 412.511 4.476 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC=C(c2ccccc2)C1 ZINC000551359157 941461137 /nfs/dbraw/zinc/46/11/37/941461137.db2.gz IGDCIPOFBSVSGB-UHFFFAOYSA-N -1 1 418.518 4.417 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000552196252 941599536 /nfs/dbraw/zinc/59/95/36/941599536.db2.gz PYEAHJGQDCLZPT-QMMMGPOBSA-N -1 1 415.637 4.021 20 0 HIADMM C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000552409132 941661108 /nfs/dbraw/zinc/66/11/08/941661108.db2.gz PGQHWHXBPTZPGN-UKRRQHHQSA-N -1 1 420.918 4.387 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc2c(Cl)cccc2n1 ZINC000552734024 941748436 /nfs/dbraw/zinc/74/84/36/941748436.db2.gz YPRPKUYIEBDAEM-UHFFFAOYSA-N -1 1 419.872 4.326 20 0 HIADMM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1OC ZINC000553774143 941965036 /nfs/dbraw/zinc/96/50/36/941965036.db2.gz XLTOSMBZKYCRET-JTQLQIEISA-N -1 1 405.850 4.065 20 0 HIADMM CSC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC000553933823 942001748 /nfs/dbraw/zinc/00/17/48/942001748.db2.gz WAMDVWUYVINIRN-QGZVFWFLSA-N -1 1 418.584 4.011 20 0 HIADMM CC(C)SCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000554044972 942024961 /nfs/dbraw/zinc/02/49/61/942024961.db2.gz PWLBZJNSKOVBEI-UHFFFAOYSA-N -1 1 412.964 4.012 20 0 HIADMM Cc1ccc(NC(=O)c2cnc(C(C)(C)C)nc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000554353205 942110601 /nfs/dbraw/zinc/11/06/01/942110601.db2.gz GOORXIGEBFOCIS-UHFFFAOYSA-N -1 1 424.526 4.136 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c2ccccc21 ZINC000555585703 942656562 /nfs/dbraw/zinc/65/65/62/942656562.db2.gz KJSFIKAQENXHCO-OAHLLOKOSA-N -1 1 410.470 4.390 20 0 HIADMM CC(=O)c1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1C ZINC000556073485 942801685 /nfs/dbraw/zinc/80/16/85/942801685.db2.gz PEMLLLJMDDCMOK-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM COc1ccc2c(c1)CCC[C@@]2(NCc1ccc(Br)cc1F)C(=O)[O-] ZINC000556322514 942841097 /nfs/dbraw/zinc/84/10/97/942841097.db2.gz OYHKYXQEEPLTFQ-IBGZPJMESA-N -1 1 408.267 4.003 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C(C)C)c2)cc1 ZINC000556479863 942881034 /nfs/dbraw/zinc/88/10/34/942881034.db2.gz FRKPPTUJGYXPLK-UHFFFAOYSA-N -1 1 404.532 4.051 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc(Cn2ccnc2)cc1 ZINC000556846369 942938363 /nfs/dbraw/zinc/93/83/63/942938363.db2.gz UXYIJSXGGTULGY-UHFFFAOYSA-N -1 1 406.667 4.305 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1csc([C@H]2CCCO2)n1 ZINC000556847431 942938989 /nfs/dbraw/zinc/93/89/89/942938989.db2.gz JGEUSNXEYUFKAE-LLVKDONJSA-N -1 1 403.685 4.368 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000557639196 943243580 /nfs/dbraw/zinc/24/35/80/943243580.db2.gz KKVVQIKNSASYBC-JTSKRJEESA-N -1 1 416.525 4.485 20 0 HIADMM COc1ccc(-c2ocnc2C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)cc1 ZINC000558103131 943380392 /nfs/dbraw/zinc/38/03/92/943380392.db2.gz DNLXOOYMYBLMQR-UHFFFAOYSA-N -1 1 420.494 4.780 20 0 HIADMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000558199895 943428216 /nfs/dbraw/zinc/42/82/16/943428216.db2.gz GOKISLXSPYGUQR-QVKFZJNVSA-N -1 1 423.494 4.131 20 0 HIADMM CCOc1ccc(Oc2cc(CNC(=O)c3c(F)ccc([O-])c3F)ccn2)cc1 ZINC000558405633 943550874 /nfs/dbraw/zinc/55/08/74/943550874.db2.gz XKMKSXYSXXLEGP-UHFFFAOYSA-N -1 1 400.381 4.186 20 0 HIADMM Cc1cc(NC(=O)[C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)ccc1Br ZINC000558457323 943565295 /nfs/dbraw/zinc/56/52/95/943565295.db2.gz KABIJQYYHDMATL-MRVPVSSYSA-N -1 1 418.263 4.310 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 ZINC000558641959 943623911 /nfs/dbraw/zinc/62/39/11/943623911.db2.gz IGFGIPYDUALGDY-UHFFFAOYSA-N -1 1 423.650 4.328 20 0 HIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1n[nH]nc1-c1ccccc1 ZINC000559045412 943814529 /nfs/dbraw/zinc/81/45/29/943814529.db2.gz IVMAOKGYUJZSLQ-INIZCTEOSA-N -1 1 402.483 4.044 20 0 HIADMM CC(C)[C@@]1(CO)CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000559426077 943947796 /nfs/dbraw/zinc/94/77/96/943947796.db2.gz ZTPJPHJWTDUYER-QFIPXVFZSA-N -1 1 415.534 4.021 20 0 HIADMM CNC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)ccc1F ZINC000560446791 944232586 /nfs/dbraw/zinc/23/25/86/944232586.db2.gz SQYOFGHFBDHDRW-UHFFFAOYSA-N -1 1 413.430 4.277 20 0 HIADMM CCOc1cc(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)cc(Cl)c1[O-] ZINC000560729369 944312792 /nfs/dbraw/zinc/31/27/92/944312792.db2.gz BHNFKPQAHLSQBF-UHFFFAOYSA-N -1 1 410.848 4.075 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000561566874 944677753 /nfs/dbraw/zinc/67/77/53/944677753.db2.gz QAJGGHHTPSWDDV-UHFFFAOYSA-N -1 1 418.902 4.314 20 0 HIADMM O=C(NC[C@H]1CCCSC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000561716194 944760807 /nfs/dbraw/zinc/76/08/07/944760807.db2.gz SBNPFEIELQJAQF-CQSZACIVSA-N -1 1 424.975 4.014 20 0 HIADMM O=c1[nH]c2cccc([N-]S(=O)(=O)c3ccc(OCC4CCCCC4)cc3)c2[nH]1 ZINC000562231177 945033222 /nfs/dbraw/zinc/03/32/22/945033222.db2.gz KGZBOPCPDYYIGN-UHFFFAOYSA-N -1 1 401.488 4.028 20 0 HIADMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccccc2)c1 ZINC000564260083 945477500 /nfs/dbraw/zinc/47/75/00/945477500.db2.gz DPIXOHRNJDCPIY-UHFFFAOYSA-N -1 1 401.415 4.046 20 0 HIADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1cccc(Br)c1 ZINC000564384014 945546202 /nfs/dbraw/zinc/54/62/02/945546202.db2.gz DQVAHSBOMJPQRG-ZETCQYMHSA-N -1 1 404.236 4.002 20 0 HIADMM CCSCc1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000564546650 945668222 /nfs/dbraw/zinc/66/82/22/945668222.db2.gz SIBGQFGQEXQTOE-UHFFFAOYSA-N -1 1 411.455 4.069 20 0 HIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000565748623 945879731 /nfs/dbraw/zinc/87/97/31/945879731.db2.gz ZRLKXLOLTFSNFH-UHFFFAOYSA-N -1 1 402.472 4.457 20 0 HIADMM O=c1cc(C(F)F)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[n-]1 ZINC000567002334 946212838 /nfs/dbraw/zinc/21/28/38/946212838.db2.gz LEBOVBVITOULMR-UHFFFAOYSA-N -1 1 404.320 4.481 20 0 HIADMM Cc1ncsc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000567204957 946271823 /nfs/dbraw/zinc/27/18/23/946271823.db2.gz MNNVLNVSFQGFPL-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CC[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000568675111 946648244 /nfs/dbraw/zinc/64/82/44/946648244.db2.gz RBCRCZZFYCMBBE-HNAYVOBHSA-N -1 1 419.522 4.099 20 0 HIADMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000569113837 946817934 /nfs/dbraw/zinc/81/79/34/946817934.db2.gz WLQQXAMWRSDXKH-UHFFFAOYSA-N -1 1 415.437 4.264 20 0 HIADMM Cc1cccc([C@H](c2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)C(C)C)c1 ZINC000569154777 946826236 /nfs/dbraw/zinc/82/62/36/946826236.db2.gz OZGPEQPNGNMKPW-WMLDXEAASA-N -1 1 405.545 4.267 20 0 HIADMM O=C(c1nc[n-]c1-c1nc(-c2cccnc2OC2CCCC2)no1)c1ccccc1 ZINC000569885389 947032765 /nfs/dbraw/zinc/03/27/65/947032765.db2.gz IOTYPESBLLVIIK-UHFFFAOYSA-N -1 1 401.426 4.074 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OC3(CCCC3)O4)cc2)co1 ZINC000569883812 947033397 /nfs/dbraw/zinc/03/33/97/947033397.db2.gz DWLPPLJWBKKFLZ-UHFFFAOYSA-N -1 1 412.467 4.492 20 0 HIADMM Cc1ocnc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n1 ZINC000569913192 947043667 /nfs/dbraw/zinc/04/36/67/947043667.db2.gz DJEZLFVZZHEFGC-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM C[C@@H](Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(F)(F)F ZINC000570309833 947187996 /nfs/dbraw/zinc/18/79/96/947187996.db2.gz KBUUOVNCRNMJNB-SECBINFHSA-N -1 1 423.796 4.169 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)ccc1C(F)(F)F ZINC000570612876 947315829 /nfs/dbraw/zinc/31/58/29/947315829.db2.gz YYUDAFQRAAAWND-UHFFFAOYSA-N -1 1 412.433 4.051 20 0 HIADMM Cc1cccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cn2)c1C ZINC000571197184 947541603 /nfs/dbraw/zinc/54/16/03/947541603.db2.gz FHARMDDKNVBGPK-UHFFFAOYSA-N -1 1 404.469 4.051 20 0 HIADMM CC(C)[C@H]1N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC12CCC2 ZINC000571687559 947748603 /nfs/dbraw/zinc/74/86/03/947748603.db2.gz FAPZNSBVMLRIBJ-HXUWFJFHSA-N -1 1 416.518 4.277 20 0 HIADMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000571816537 947794681 /nfs/dbraw/zinc/79/46/81/947794681.db2.gz IRZWAAGMNCOICR-UHFFFAOYSA-N -1 1 408.814 4.006 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1OC ZINC000572929241 948045273 /nfs/dbraw/zinc/04/52/73/948045273.db2.gz ZZLMEZTUNXNKRI-UHFFFAOYSA-N -1 1 411.694 4.168 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(OC)c(C(C)C)c(OC)c2)c1 ZINC000573052267 948072456 /nfs/dbraw/zinc/07/24/56/948072456.db2.gz YHJUJZISYWVVAS-UHFFFAOYSA-N -1 1 413.923 4.428 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000573767702 948293656 /nfs/dbraw/zinc/29/36/56/948293656.db2.gz ZTBWTYMWZLDZAD-FQEVSTJZSA-N -1 1 411.527 4.284 20 0 HIADMM CO[C@H](c1noc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n1)C(C)C ZINC000574834216 948538404 /nfs/dbraw/zinc/53/84/04/948538404.db2.gz YFVWPCTVQOAUHC-IBGZPJMESA-N -1 1 415.515 4.498 20 0 HIADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccccc2N[C@H](C)c2ccccc2)cc1 ZINC000575825202 948726950 /nfs/dbraw/zinc/72/69/50/948726950.db2.gz QPKKQIJVTCKEJK-QGZVFWFLSA-N -1 1 424.522 4.376 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1OC ZINC000575903473 948765946 /nfs/dbraw/zinc/76/59/46/948765946.db2.gz FDPPBCQSFRVZMD-UHFFFAOYSA-N -1 1 424.689 4.243 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000435936174 861197613 /nfs/dbraw/zinc/19/76/13/861197613.db2.gz MACZNFYQWSNJQI-FUHWJXTLSA-N -1 1 420.488 4.077 20 0 HIADMM O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000435978512 861244537 /nfs/dbraw/zinc/24/45/37/861244537.db2.gz ASOPPROILUZTNV-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM COc1ccc2c(c1)CN(C(=O)c1nc3ccccc3c(=O)[n-]1)[C@@H](C1CCCCC1)C2 ZINC000436118267 861402624 /nfs/dbraw/zinc/40/26/24/861402624.db2.gz MPBSIOXRKFWONY-JOCHJYFZSA-N -1 1 417.509 4.079 20 0 HIADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000436154189 861453311 /nfs/dbraw/zinc/45/33/11/861453311.db2.gz QOQVJCHFEQKHFG-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(CSc2nc(CC)cc(=O)[nH]2)C(C)(C)C)n1 ZINC000436195535 861497108 /nfs/dbraw/zinc/49/71/08/861497108.db2.gz FJHSUNNQFLERGQ-UHFFFAOYSA-N -1 1 408.593 4.349 20 0 HIADMM C[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000436201810 861502671 /nfs/dbraw/zinc/50/26/71/861502671.db2.gz JCHUPOPMTNLENC-GFCCVEGCSA-N -1 1 413.326 4.419 20 0 HIADMM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[N-]NC(=O)c3ccccc3)cc12 ZINC000002663494 845007964 /nfs/dbraw/zinc/00/79/64/845007964.db2.gz RLCWODFLDUQSHH-UHFFFAOYSA-N -1 1 424.913 4.183 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000006177448 845180499 /nfs/dbraw/zinc/18/04/99/845180499.db2.gz XJOTZUMRWIHWMV-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000007259331 845297937 /nfs/dbraw/zinc/29/79/37/845297937.db2.gz UNXFUSZLJNYMPF-OAHLLOKOSA-N -1 1 412.536 4.308 20 0 HIADMM C=C(C)CNC(=S)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1C ZINC000007528138 845353620 /nfs/dbraw/zinc/35/36/20/845353620.db2.gz AQUFCDJXCVQJIM-UHFFFAOYSA-N -1 1 409.964 4.312 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)n1 ZINC000007654463 845384530 /nfs/dbraw/zinc/38/45/30/845384530.db2.gz VWOKRVZARMUBRE-UHFFFAOYSA-N -1 1 414.556 4.373 20 0 HIADMM Cc1ccsc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000007898180 845443150 /nfs/dbraw/zinc/44/31/50/845443150.db2.gz JAUCUGJWUMIGMD-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2)cc1 ZINC000008033570 845466249 /nfs/dbraw/zinc/46/62/49/845466249.db2.gz MHWJDRAVZBUXSU-IERDGZPVSA-N -1 1 416.543 4.195 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000008206871 845492748 /nfs/dbraw/zinc/49/27/48/845492748.db2.gz BSAGUGZJOPQYGN-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM COc1ccc([C@H]2CCCCCN2C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000436266228 861578099 /nfs/dbraw/zinc/57/80/99/861578099.db2.gz ZTGKVUVDGWYBRW-LJQANCHMSA-N -1 1 413.543 4.304 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000008287936 845506792 /nfs/dbraw/zinc/50/67/92/845506792.db2.gz CQTKKRDIBSTFSZ-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM COc1cc2c(cc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O)oc1ccccc12 ZINC000009677363 845581616 /nfs/dbraw/zinc/58/16/16/845581616.db2.gz KENBVDVAAXSNNB-UHFFFAOYSA-N -1 1 423.494 4.280 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc2ncsc2c1 ZINC000009903683 845602195 /nfs/dbraw/zinc/60/21/95/845602195.db2.gz ZWQMWNHLFQVNSB-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1Cc2ccccc2S1 ZINC000009905000 845603786 /nfs/dbraw/zinc/60/37/86/845603786.db2.gz FYFPTGWJKCFQIG-FQEVSTJZSA-N -1 1 410.520 4.143 20 0 HIADMM CCc1cncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000436276051 861585529 /nfs/dbraw/zinc/58/55/29/861585529.db2.gz RDNIKISFSDFIOH-UHFFFAOYSA-N -1 1 415.902 4.351 20 0 HIADMM Cc1ccc(C(=O)CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000010393913 845654191 /nfs/dbraw/zinc/65/41/91/845654191.db2.gz UNUPWZPRPPNSPF-UHFFFAOYSA-N -1 1 422.506 4.397 20 0 HIADMM CCCn1c2ccccc2nc1NC(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000010652842 845687031 /nfs/dbraw/zinc/68/70/31/845687031.db2.gz RUIKGXVKBGMXQO-UHFFFAOYSA-N -1 1 406.515 4.315 20 0 HIADMM COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000015354640 846039309 /nfs/dbraw/zinc/03/93/09/846039309.db2.gz APSGKPSTYGPVRX-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM CN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015385112 846043400 /nfs/dbraw/zinc/04/34/00/846043400.db2.gz BLACNBRKFCVSEB-UHFFFAOYSA-N -1 1 420.943 4.475 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3)cc2)ccc1F ZINC000015414860 846046620 /nfs/dbraw/zinc/04/66/20/846046620.db2.gz RHPODBZJHXJXKB-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000015434193 846048301 /nfs/dbraw/zinc/04/83/01/846048301.db2.gz BVROMMRCQWEDPP-GASCZTMLSA-N -1 1 404.507 4.053 20 0 HIADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000015433978 846048532 /nfs/dbraw/zinc/04/85/32/846048532.db2.gz HVNJMSHXKCOUHX-ZIAGYGMSSA-N -1 1 424.925 4.398 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccnc3)c2)cc1 ZINC000015436417 846049441 /nfs/dbraw/zinc/04/94/41/846049441.db2.gz GDSJLVGTDAINLG-UHFFFAOYSA-N -1 1 409.511 4.477 20 0 HIADMM Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2o1 ZINC000015544945 846061270 /nfs/dbraw/zinc/06/12/70/846061270.db2.gz BFZZNDJRNRSULD-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM O=C(NCc1cccc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015584846 846067106 /nfs/dbraw/zinc/06/71/06/846067106.db2.gz DARXEVBAIRRBLK-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM O=C(/C=C/c1ccco1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015744123 846089134 /nfs/dbraw/zinc/08/91/34/846089134.db2.gz BHRPUKHGOBSJSA-JXMROGBWSA-N -1 1 404.394 4.011 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(F)cc1 ZINC000015744111 846089180 /nfs/dbraw/zinc/08/91/80/846089180.db2.gz NXIWKWGRBDNNIC-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=C(NCCc1cccs1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015788458 846091091 /nfs/dbraw/zinc/09/10/91/846091091.db2.gz JKQHMZIGAVXERH-UHFFFAOYSA-N -1 1 420.943 4.175 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2)ccc1F ZINC000015797321 846091909 /nfs/dbraw/zinc/09/19/09/846091909.db2.gz XUPGUJGVHOHZFW-VLIAUNLRSA-N -1 1 404.507 4.243 20 0 HIADMM C[C@H](c1cccs1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016273186 846145600 /nfs/dbraw/zinc/14/56/00/846145600.db2.gz VPSAIBRIFLLIDZ-OAHLLOKOSA-N -1 1 400.525 4.382 20 0 HIADMM O=C(Nc1cc(F)cc(F)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000016305281 846150994 /nfs/dbraw/zinc/15/09/94/846150994.db2.gz QZJGKNPUCOJZCY-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000016504777 846179801 /nfs/dbraw/zinc/17/98/01/846179801.db2.gz SCXVSYDPVCYZLP-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM C[C@@H](c1nnc(SCC(=O)c2ccc([O-])cc2)n1-c1ccc(Cl)cc1)N(C)C ZINC000016927765 846220611 /nfs/dbraw/zinc/22/06/11/846220611.db2.gz VPIKRAACTBWQIK-ZDUSSCGKSA-N -1 1 416.934 4.224 20 0 HIADMM CC(C)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000017129081 846231528 /nfs/dbraw/zinc/23/15/28/846231528.db2.gz KSKHSGOLSRMEHD-UHFFFAOYSA-N -1 1 415.342 4.109 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)cc2)cc1 ZINC000436341913 861654596 /nfs/dbraw/zinc/65/45/96/861654596.db2.gz HJXPIBJLNHQPQU-IRXDYDNUSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)cc1C ZINC000017304297 846243410 /nfs/dbraw/zinc/24/34/10/846243410.db2.gz ZRLRCLWFHUMMPD-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCC2=CCCCC2)cc1 ZINC000017335166 846247446 /nfs/dbraw/zinc/24/74/46/846247446.db2.gz DLLBDOBTEQYUMD-UHFFFAOYSA-N -1 1 400.548 4.403 20 0 HIADMM Cc1c2ccc3ccccc3c2oc1C(=O)[N-]NC(=O)[C@H](C)Oc1ccccc1F ZINC000018053769 846289445 /nfs/dbraw/zinc/28/94/45/846289445.db2.gz SXPILBYQBMECFQ-AWEZNQCLSA-N -1 1 406.413 4.262 20 0 HIADMM CCOc1ccc(CN(C)C(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1 ZINC000018074163 846291156 /nfs/dbraw/zinc/29/11/56/846291156.db2.gz KHXCUZHMFQWISI-UHFFFAOYSA-N -1 1 410.543 4.364 20 0 HIADMM COc1cc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)ccc1C ZINC000018657495 846335392 /nfs/dbraw/zinc/33/53/92/846335392.db2.gz SDRLIIVOUDWGON-UHFFFAOYSA-N -1 1 406.463 4.326 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccccc3C)cc2)cc1 ZINC000018833803 846343961 /nfs/dbraw/zinc/34/39/61/846343961.db2.gz WUXLFXPHAHOTHY-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM Cc1ccc(NC(=O)c2ccccc2N)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000019675979 846371604 /nfs/dbraw/zinc/37/16/04/846371604.db2.gz YJXISZFXFHHJGK-UHFFFAOYSA-N -1 1 415.902 4.284 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)C[C@H](C)C3)c2)c1 ZINC000020816034 846389514 /nfs/dbraw/zinc/38/95/14/846389514.db2.gz VMQXZEBPKINGFK-CALCHBBNSA-N -1 1 400.544 4.222 20 0 HIADMM COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000021216668 846418948 /nfs/dbraw/zinc/41/89/48/846418948.db2.gz MISAIAZHYLBEDW-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1cc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)ccc1[N+](=O)[O-] ZINC000021945105 846513477 /nfs/dbraw/zinc/51/34/77/846513477.db2.gz PHTZQNQKQGNQCG-UHFFFAOYSA-N -1 1 421.434 4.225 20 0 HIADMM COc1ccc(C=CC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000021940723 846513824 /nfs/dbraw/zinc/51/38/24/846513824.db2.gz JFYVBPIOJRAQPP-FMIVXFBMSA-N -1 1 418.474 4.417 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccnn3C(C)C)cc2)c1C ZINC000022290294 846554480 /nfs/dbraw/zinc/55/44/80/846554480.db2.gz MQTJIZCBYPVRQP-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)CC[C@H]3C)c2)cc1 ZINC000436362661 861694518 /nfs/dbraw/zinc/69/45/18/861694518.db2.gz IRECHWNSHAYQEF-IAGOWNOFSA-N -1 1 416.543 4.147 20 0 HIADMM COc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000022863589 846629756 /nfs/dbraw/zinc/62/97/56/846629756.db2.gz ARNOZWKMODGPNR-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000023137871 846663889 /nfs/dbraw/zinc/66/38/89/846663889.db2.gz TUHQYYZGHQLDJC-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c(F)cc1F ZINC000024428343 846822953 /nfs/dbraw/zinc/82/29/53/846822953.db2.gz ADCUBUCYLMKIPR-UHFFFAOYSA-N -1 1 424.252 4.476 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000024761364 846864424 /nfs/dbraw/zinc/86/44/24/846864424.db2.gz QNMFRAVKLICJPT-UHFFFAOYSA-N -1 1 411.512 4.255 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)Cc3c(C)[nH]c4ccccc43)n2)n[n-]c1=S ZINC000024873195 846880280 /nfs/dbraw/zinc/88/02/80/846880280.db2.gz RXRUIWCMINCRDT-UHFFFAOYSA-N -1 1 424.555 4.145 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2F)o1 ZINC000025125671 846931585 /nfs/dbraw/zinc/93/15/85/846931585.db2.gz AMOKEZNZZVLVNG-UHFFFAOYSA-N -1 1 416.474 4.415 20 0 HIADMM O=C(Nc1nc(C2CC2)cs1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000025562202 847002638 /nfs/dbraw/zinc/00/26/38/847002638.db2.gz XTARVOXBWPBVOW-UHFFFAOYSA-N -1 1 417.487 4.213 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)cc2C[C@H]1C ZINC000026545450 847166845 /nfs/dbraw/zinc/16/68/45/847166845.db2.gz MAGITAWWZQTHBS-LLVKDONJSA-N -1 1 412.483 4.100 20 0 HIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2)o1 ZINC000026540174 847166863 /nfs/dbraw/zinc/16/68/63/847166863.db2.gz KIMREGPHNOEHDQ-UHFFFAOYSA-N -1 1 413.499 4.435 20 0 HIADMM O=C(NCc1ccco1)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000027802065 847352735 /nfs/dbraw/zinc/35/27/35/847352735.db2.gz HRYWGAVPFHFIJO-UHFFFAOYSA-N -1 1 405.863 4.056 20 0 HIADMM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cc2c(s1)CCCCCC2 ZINC000028312157 847405176 /nfs/dbraw/zinc/40/51/76/847405176.db2.gz PRRPZXFDEWENIT-UHFFFAOYSA-N -1 1 413.568 4.441 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)c1 ZINC000028491908 847426551 /nfs/dbraw/zinc/42/65/51/847426551.db2.gz AJVSJCCHSZUESE-IAGOWNOFSA-N -1 1 400.544 4.222 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3Cc3ccccc3)cc2C[C@@H]1C ZINC000028686644 847447430 /nfs/dbraw/zinc/44/74/30/847447430.db2.gz GVGBBNBXUGRXDU-KRWDZBQOSA-N -1 1 420.534 4.376 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1cccc(Cl)c1 ZINC000028833044 847466151 /nfs/dbraw/zinc/46/61/51/847466151.db2.gz MKLIUDBIVMVAED-CQSZACIVSA-N -1 1 415.902 4.027 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1Cl ZINC000028833039 847466172 /nfs/dbraw/zinc/46/61/72/847466172.db2.gz FSEWPYMRZIYIOS-CQSZACIVSA-N -1 1 415.902 4.027 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)sc2Cl)c1 ZINC000028836996 847467097 /nfs/dbraw/zinc/46/70/97/847467097.db2.gz FZQXMGCFKHXZCZ-UHFFFAOYSA-N -1 1 423.343 4.043 20 0 HIADMM COc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000028877433 847470706 /nfs/dbraw/zinc/47/07/06/847470706.db2.gz DRBZLIJBVBGYHA-UHFFFAOYSA-N -1 1 424.522 4.294 20 0 HIADMM CC(C)c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)cc1 ZINC000028974775 847486674 /nfs/dbraw/zinc/48/66/74/847486674.db2.gz CSFIPDYQXQIOQG-UHFFFAOYSA-N -1 1 423.538 4.278 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000029236521 847528312 /nfs/dbraw/zinc/52/83/12/847528312.db2.gz IZWRIAZUAKJVLM-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)cc1 ZINC000029287558 847539414 /nfs/dbraw/zinc/53/94/14/847539414.db2.gz LNENZYTZZNQYLI-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM CCC[C@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000029450568 847565696 /nfs/dbraw/zinc/56/56/96/847565696.db2.gz QEQAVUXVSBNRIG-INIZCTEOSA-N -1 1 404.532 4.147 20 0 HIADMM Cc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)sc1C ZINC000029582111 847582877 /nfs/dbraw/zinc/58/28/77/847582877.db2.gz JFGIEBFXHGWRSX-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM COc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1[N-]S(C)(=O)=O ZINC000029817648 847625791 /nfs/dbraw/zinc/62/57/91/847625791.db2.gz JUHRVDVZZDBXGD-UHFFFAOYSA-N -1 1 420.874 4.232 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000029816929 847625891 /nfs/dbraw/zinc/62/58/91/847625891.db2.gz YESNFEPRHFBDCS-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM COc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1[N-]S(C)(=O)=O ZINC000029817264 847625972 /nfs/dbraw/zinc/62/59/72/847625972.db2.gz INMOPSFDPNOXKI-UHFFFAOYSA-N -1 1 424.478 4.147 20 0 HIADMM O=C(Nc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1)c1ccncc1 ZINC000029879616 847639576 /nfs/dbraw/zinc/63/95/76/847639576.db2.gz RZWNSJLTZVCFLF-UHFFFAOYSA-N -1 1 412.243 4.054 20 0 HIADMM Cc1nc(-c2ccc(NC(=O)c3cc(I)ccc3[O-])cc2)co1 ZINC000029954989 847658902 /nfs/dbraw/zinc/65/89/02/847658902.db2.gz QNTGLNDVNVDLSQ-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3Cc4ccccc4O3)ccc2C)c1 ZINC000030019983 847672539 /nfs/dbraw/zinc/67/25/39/847672539.db2.gz VJBBFYUMEYWPGH-OAQYLSRUSA-N -1 1 422.506 4.046 20 0 HIADMM CCOCc1ccccc1CNC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000030178832 847686426 /nfs/dbraw/zinc/68/64/26/847686426.db2.gz ZDAUHSWCNBPCDC-UHFFFAOYSA-N -1 1 410.543 4.159 20 0 HIADMM C[C@H](N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C(C)(C)C ZINC000030424528 847715077 /nfs/dbraw/zinc/71/50/77/847715077.db2.gz PFRJFRHCWNWDCA-ZDUSSCGKSA-N -1 1 410.486 4.272 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)C1CCCCC1 ZINC000030476360 847719399 /nfs/dbraw/zinc/71/93/99/847719399.db2.gz ZKHLZBFRPSDSSM-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM O=C(NC1CC(c2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436513240 861831377 /nfs/dbraw/zinc/83/13/77/861831377.db2.gz MDSSYKMVWNJVOT-YABDQXBESA-N -1 1 414.505 4.212 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)Cc2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000030899081 847794289 /nfs/dbraw/zinc/79/42/89/847794289.db2.gz YEGOWKFDSWCLPV-UHFFFAOYSA-N -1 1 400.331 4.111 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000031033537 847812583 /nfs/dbraw/zinc/81/25/83/847812583.db2.gz FYRDKRFULBAETM-UHFFFAOYSA-N -1 1 424.404 4.154 20 0 HIADMM O=C(NC[C@H]1CCCC(F)(F)C1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436519319 861832838 /nfs/dbraw/zinc/83/28/38/861832838.db2.gz WGFNUMCVDJOKHL-HNAYVOBHSA-N -1 1 416.468 4.092 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(Cc1ccccc1)C1CC1 ZINC000031069635 847817809 /nfs/dbraw/zinc/81/78/09/847817809.db2.gz BPHRGZNQPRMJDC-UHFFFAOYSA-N -1 1 406.507 4.292 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2N2CCCCCC2)c(=O)[n-]1 ZINC000031097837 847823014 /nfs/dbraw/zinc/82/30/14/847823014.db2.gz CEGFFSVJWVGXKE-UHFFFAOYSA-N -1 1 400.548 4.164 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000436526945 861836118 /nfs/dbraw/zinc/83/61/18/861836118.db2.gz JWUILERBZNPTOD-UHFFFAOYSA-N -1 1 414.303 4.126 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc2)cc1 ZINC000031407576 847878744 /nfs/dbraw/zinc/87/87/44/847878744.db2.gz SBGYWEBDWWXNDV-OAHLLOKOSA-N -1 1 404.532 4.003 20 0 HIADMM CC(C)c1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c([O-])c1 ZINC000436536655 861840085 /nfs/dbraw/zinc/84/00/85/861840085.db2.gz DQRRLVDLXDSMMR-NDEPHWFRSA-N -1 1 401.528 4.196 20 0 HIADMM O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1cc2ccccc2cc1[O-] ZINC000436540560 861842221 /nfs/dbraw/zinc/84/22/21/861842221.db2.gz SASBMRZKTUHAJD-GDLZYMKVSA-N -1 1 409.507 4.225 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2cccc3[nH]cnc32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436540322 861842637 /nfs/dbraw/zinc/84/26/37/861842637.db2.gz WLCDNRRFPHVARO-UHFFFAOYSA-N -1 1 408.364 4.051 20 0 HIADMM CCOc1cc(-c2noc(-c3sc4nccn4c3C)n2)cc(Br)c1[O-] ZINC000436544119 861844905 /nfs/dbraw/zinc/84/49/05/861844905.db2.gz KHARDIPUOYZTFC-UHFFFAOYSA-N -1 1 421.276 4.288 20 0 HIADMM C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)n1nnc(-c2cccc(F)c2)n1 ZINC000031734357 847940402 /nfs/dbraw/zinc/94/04/02/847940402.db2.gz YNVBPHOEDJCOES-LBPRGKRZSA-N -1 1 418.457 4.054 20 0 HIADMM Cc1ccc(NC(=O)CCOCC(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000031816401 847954405 /nfs/dbraw/zinc/95/44/05/847954405.db2.gz SIFXFAXTEXSBCK-UHFFFAOYSA-N -1 1 424.950 4.450 20 0 HIADMM CCc1nc(CN2CCC(CNC(=O)c3ccc4ccccc4c3[O-])CC2)cs1 ZINC000436555374 861850024 /nfs/dbraw/zinc/85/00/24/861850024.db2.gz IJKVKVJPABERHI-UHFFFAOYSA-N -1 1 409.555 4.206 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC3CCCC3)c2)cc1F ZINC000031931722 847966759 /nfs/dbraw/zinc/96/67/59/847966759.db2.gz NHXSXHXEVHKUSK-UHFFFAOYSA-N -1 1 404.507 4.245 20 0 HIADMM COCCN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])C1CC1 ZINC000436560062 861851633 /nfs/dbraw/zinc/85/16/33/861851633.db2.gz CTIUEXSGBGPDHE-UHFFFAOYSA-N -1 1 423.296 4.202 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1OCC ZINC000032097337 847986980 /nfs/dbraw/zinc/98/69/80/847986980.db2.gz PBJLKYFMMQQCNG-UHFFFAOYSA-N -1 1 402.472 4.303 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1C ZINC000032200261 847992171 /nfs/dbraw/zinc/99/21/71/847992171.db2.gz HBSWAEOSOXYJGO-UHFFFAOYSA-N -1 1 417.918 4.348 20 0 HIADMM Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436564211 861853582 /nfs/dbraw/zinc/85/35/82/861853582.db2.gz QVEXDTUIAMBILH-UHFFFAOYSA-N -1 1 414.914 4.167 20 0 HIADMM CC[C@@H](C)c1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436567049 861855089 /nfs/dbraw/zinc/85/50/89/861855089.db2.gz RPMGMPJDJCWAJD-QRWLVFNGSA-N -1 1 418.497 4.092 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1COCc1ccccc1)c1cc(F)ccc1F ZINC000032441899 848027028 /nfs/dbraw/zinc/02/70/28/848027028.db2.gz KCPUGCDNOAIOBY-UHFFFAOYSA-N -1 1 403.450 4.160 20 0 HIADMM CC1(C)CCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C1 ZINC000436573331 861857006 /nfs/dbraw/zinc/85/70/06/861857006.db2.gz HCLNMPDAUCGWGV-UHFFFAOYSA-N -1 1 417.303 4.279 20 0 HIADMM C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c2ccccc21 ZINC000436573492 861857180 /nfs/dbraw/zinc/85/71/80/861857180.db2.gz IFMABKGTIYUSPB-OPAMFIHVSA-N -1 1 400.478 4.300 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCc3ccsc3C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436579581 861858887 /nfs/dbraw/zinc/85/88/87/861858887.db2.gz CQLMETJBXBPYAL-UHFFFAOYSA-N -1 1 414.433 4.183 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C(F)(F)F)cc1 ZINC000032601650 848052238 /nfs/dbraw/zinc/05/22/38/848052238.db2.gz VURYIFZUGAMNKQ-UHFFFAOYSA-N -1 1 411.405 4.091 20 0 HIADMM Cc1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436583609 861859778 /nfs/dbraw/zinc/85/97/78/861859778.db2.gz OGZGUAUGUVGXPS-QFIPXVFZSA-N -1 1 402.494 4.117 20 0 HIADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000032630361 848055545 /nfs/dbraw/zinc/05/55/45/848055545.db2.gz YWNRZPIGQQWRKY-UHFFFAOYSA-N -1 1 407.706 4.149 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]4CCC[C@@H]43)c([O-])c2)c1 ZINC000436585895 861860760 /nfs/dbraw/zinc/86/07/60/861860760.db2.gz ABIBRMQRHYYNCD-VFNWGFHPSA-N -1 1 424.497 4.066 20 0 HIADMM Cc1nc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)c2)cs1 ZINC000032702433 848066778 /nfs/dbraw/zinc/06/67/78/848066778.db2.gz RXFCMUZHZSJZMC-UHFFFAOYSA-N -1 1 419.528 4.041 20 0 HIADMM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436597914 861863360 /nfs/dbraw/zinc/86/33/60/861863360.db2.gz XKBHFXALIDVZAD-UHFFFAOYSA-N -1 1 406.935 4.264 20 0 HIADMM CC(C)c1csc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000436600311 861864128 /nfs/dbraw/zinc/86/41/28/861864128.db2.gz GFVAEZJZCBTBEX-SFHVURJKSA-N -1 1 409.511 4.369 20 0 HIADMM O=C(Nc1ccc2ccccc2n1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436599574 861864483 /nfs/dbraw/zinc/86/44/83/861864483.db2.gz DPPUHYCDFRJJRW-OAQYLSRUSA-N -1 1 411.461 4.337 20 0 HIADMM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000436604238 861866589 /nfs/dbraw/zinc/86/65/89/861866589.db2.gz NLAXUSBJAGVTCR-ZDUSSCGKSA-N -1 1 414.405 4.022 20 0 HIADMM CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436604310 861866691 /nfs/dbraw/zinc/86/66/91/861866691.db2.gz NVDZMFZEETUMRU-NZQKXSOJSA-N -1 1 416.521 4.288 20 0 HIADMM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000033098177 848108817 /nfs/dbraw/zinc/10/88/17/848108817.db2.gz TVRRTMBBRUDVNW-KXBFYZLASA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000033181636 848120588 /nfs/dbraw/zinc/12/05/88/848120588.db2.gz FEMWYCPXEAYNFQ-KBXCAEBGSA-N -1 1 404.507 4.243 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2cccs2)cc1 ZINC000033203909 848124302 /nfs/dbraw/zinc/12/43/02/848124302.db2.gz QVOUCWMCLYUOPL-MRXNPFEDSA-N -1 1 414.552 4.218 20 0 HIADMM Cc1cc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c(C)o1 ZINC000436609382 861868429 /nfs/dbraw/zinc/86/84/29/861868429.db2.gz IQFJXFNCWSXKHV-BTYIYWSLSA-N -1 1 406.482 4.237 20 0 HIADMM O=C(N[C@@H]1CCc2cc(F)ccc21)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436613104 861870237 /nfs/dbraw/zinc/87/02/37/861870237.db2.gz SOZMVORFPQJBAI-FGZHOGPDSA-N -1 1 418.468 4.093 20 0 HIADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(F)c(F)c1 ZINC000036339488 848150036 /nfs/dbraw/zinc/15/00/36/848150036.db2.gz OWIGXDVQDKTFTF-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2ccncc2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436623088 861873695 /nfs/dbraw/zinc/87/36/95/861873695.db2.gz HJHNPOPXOXIMTH-UHFFFAOYSA-N -1 1 402.237 4.021 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1 ZINC000436639201 861878342 /nfs/dbraw/zinc/87/83/42/861878342.db2.gz OGMUDIXMOUIFGG-UHFFFAOYSA-N -1 1 406.316 4.105 20 0 HIADMM CCOc1ccc(OCC)c(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)c1 ZINC000041815842 848253933 /nfs/dbraw/zinc/25/39/33/848253933.db2.gz ZOGBJQFOTGRFEE-UHFFFAOYSA-N -1 1 412.515 4.352 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)CCc2ccco2)cc1 ZINC000041820036 848254304 /nfs/dbraw/zinc/25/43/04/848254304.db2.gz NHEYNHMOQPMXIG-HNNXBMFYSA-N -1 1 414.531 4.127 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cn1 ZINC000042064686 848280348 /nfs/dbraw/zinc/28/03/48/848280348.db2.gz QXPQMTHVHZMFLE-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(I)ccc1[O-] ZINC000436673345 861890260 /nfs/dbraw/zinc/89/02/60/861890260.db2.gz IZACOFUPTUYJFZ-VIFPVBQESA-N -1 1 417.193 4.108 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2CCc3ccccc32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436678962 861892835 /nfs/dbraw/zinc/89/28/35/861892835.db2.gz DSNLTZYIUGHTOB-HXUWFJFHSA-N -1 1 408.404 4.340 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000436690736 861895091 /nfs/dbraw/zinc/89/50/91/861895091.db2.gz RIACXGFDECIMOG-UHFFFAOYSA-N -1 1 400.347 4.042 20 0 HIADMM CCOc1cc(-c2noc(C[C@H]3CCO[C@@H](CC)C3)n2)cc(Br)c1[O-] ZINC000436695970 861895973 /nfs/dbraw/zinc/89/59/73/861895973.db2.gz HAQORPGUVVOFNV-AAEUAGOBSA-N -1 1 411.296 4.351 20 0 HIADMM O=C(NCCCSc1ccc(F)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043139984 848389623 /nfs/dbraw/zinc/38/96/23/848389623.db2.gz LZQGTJGRZJXCBV-UHFFFAOYSA-N -1 1 416.518 4.318 20 0 HIADMM COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)cc(Cl)c1[O-] ZINC000044028567 848503714 /nfs/dbraw/zinc/50/37/14/848503714.db2.gz HNGJBDSQDNVYMX-WDZFZDKYSA-N -1 1 407.651 4.362 20 0 HIADMM Cc1cc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n(Cc2ccccc2)n1 ZINC000044075082 848510378 /nfs/dbraw/zinc/51/03/78/848510378.db2.gz JQCNGWFCGZJTFC-UHFFFAOYSA-N -1 1 418.497 4.072 20 0 HIADMM CCN(CCOC)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436736587 861923490 /nfs/dbraw/zinc/92/34/90/861923490.db2.gz GUBXDCWLANJAQO-UHFFFAOYSA-N -1 1 411.285 4.060 20 0 HIADMM CCCCCOc1ccc(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)cc1 ZINC000045074791 848630223 /nfs/dbraw/zinc/63/02/23/848630223.db2.gz KQKMPCLDJBGGDC-UHFFFAOYSA-N -1 1 417.560 4.346 20 0 HIADMM CC[C@@H](C)Cc1c(C)sc2nc(-c3cccc(N4C(=O)CCC4=O)c3)[n-]c(=O)c12 ZINC000045112160 848634742 /nfs/dbraw/zinc/63/47/42/848634742.db2.gz GWEZJSOHLAGRJP-GFCCVEGCSA-N -1 1 409.511 4.202 20 0 HIADMM C[C@@H](OCCCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000045159321 848642270 /nfs/dbraw/zinc/64/22/70/848642270.db2.gz CZDZKQGGYLNLRN-GOSISDBHSA-N -1 1 410.514 4.164 20 0 HIADMM Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436743646 861927065 /nfs/dbraw/zinc/92/70/65/861927065.db2.gz YDVQUJUOXQWJFD-JTQLQIEISA-N -1 1 421.341 4.183 20 0 HIADMM CCOc1ccccc1C1=CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436744991 861927699 /nfs/dbraw/zinc/92/76/99/861927699.db2.gz RQOYCEPIDJTZNA-UHFFFAOYSA-N -1 1 402.288 4.483 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000045326906 848666051 /nfs/dbraw/zinc/66/60/51/848666051.db2.gz WYQBCGWZNVQNSM-UHFFFAOYSA-N -1 1 418.824 4.286 20 0 HIADMM CCCCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1)C1CC1 ZINC000045370137 848671477 /nfs/dbraw/zinc/67/14/77/848671477.db2.gz WZXMXMSRIJXWKB-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM CCCCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1CC1 ZINC000045434444 848680087 /nfs/dbraw/zinc/68/00/87/848680087.db2.gz YMWGPLDAXXTFDE-UHFFFAOYSA-N -1 1 408.470 4.170 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCC(C)C)cc2)cc1 ZINC000045473286 848683211 /nfs/dbraw/zinc/68/32/11/848683211.db2.gz WJAALZAUNREGBO-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-])Nc1ccccc1 ZINC000436751094 861934103 /nfs/dbraw/zinc/93/41/03/861934103.db2.gz IPLUSWWOEKQIRL-INIZCTEOSA-N -1 1 421.419 4.227 20 0 HIADMM CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000045864784 848742405 /nfs/dbraw/zinc/74/24/05/848742405.db2.gz SZKCAAPNABGKIS-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM COc1cccc([C@@H]2CCCN2C(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000045871718 848744577 /nfs/dbraw/zinc/74/45/77/848744577.db2.gz PPWCRYDULJIVCP-HNNXBMFYSA-N -1 1 400.529 4.041 20 0 HIADMM COc1cc[n-]c(=NNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n1 ZINC000046364302 848833613 /nfs/dbraw/zinc/83/36/13/848833613.db2.gz SMUXZFLDGYJQSZ-UHFFFAOYSA-N -1 1 403.467 4.033 20 0 HIADMM CCOc1cc(-c2noc(COc3ccccc3F)n2)cc(Br)c1[O-] ZINC000436766126 861956557 /nfs/dbraw/zinc/95/65/57/861956557.db2.gz CRFMVTBYUFOSNK-UHFFFAOYSA-N -1 1 409.211 4.322 20 0 HIADMM Cc1ccc(NC(=O)COc2ccccc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046611956 848885710 /nfs/dbraw/zinc/88/57/10/848885710.db2.gz XQUJBWCMMQWXAE-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM COc1ccc(/C=C/C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000046611633 848886086 /nfs/dbraw/zinc/88/60/86/848886086.db2.gz FSKZABHPNIZUIY-NTCAYCPXSA-N -1 1 408.479 4.148 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)ccc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046611991 848886271 /nfs/dbraw/zinc/88/62/71/848886271.db2.gz BVRGSQYSPYVGBY-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CN(CCCc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046639426 848894071 /nfs/dbraw/zinc/89/40/71/848894071.db2.gz OAEBCONAHLPYQR-UHFFFAOYSA-N -1 1 408.523 4.192 20 0 HIADMM C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1)n1cccn1 ZINC000436765729 861957091 /nfs/dbraw/zinc/95/70/91/861957091.db2.gz YEWHTCKCORHLEU-LBPRGKRZSA-N -1 1 418.375 4.060 20 0 HIADMM COc1ccc([C@H](CNC(=O)C(=O)c2ccc([O-])cc2)c2c[nH]c3ccccc32)cc1 ZINC000436766638 861957226 /nfs/dbraw/zinc/95/72/26/861957226.db2.gz SHCJFFDAAFEOJO-NRFANRHFSA-N -1 1 414.461 4.013 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc(OC)cc3)n2)cc(Br)c1[O-] ZINC000436771205 861963005 /nfs/dbraw/zinc/96/30/05/861963005.db2.gz STGPBRGGEYWZSQ-UHFFFAOYSA-N -1 1 405.248 4.203 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]2F)c([O-])c1)c1cccc(Br)c1 ZINC000436771672 861963830 /nfs/dbraw/zinc/96/38/30/861963830.db2.gz ARAJNTMABCYQME-JKSUJKDBSA-N -1 1 421.266 4.027 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)no2)cc1 ZINC000436774379 861965518 /nfs/dbraw/zinc/96/55/18/861965518.db2.gz WGKBPYZOLLNASJ-UHFFFAOYSA-N -1 1 411.414 4.049 20 0 HIADMM Cc1cccc(O[C@@H](C)C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000047119221 848987147 /nfs/dbraw/zinc/98/71/47/848987147.db2.gz AZIDTTSUDGDNSG-KRWDZBQOSA-N -1 1 410.495 4.202 20 0 HIADMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2s1 ZINC000047211316 849005250 /nfs/dbraw/zinc/00/52/50/849005250.db2.gz SEZRFKVIPBSTLW-UHFFFAOYSA-N -1 1 417.512 4.038 20 0 HIADMM COc1ccc(COCc2cccc(NC(=O)c3cc(NC(C)=O)ccc3[O-])c2)cc1 ZINC000436786882 861978498 /nfs/dbraw/zinc/97/84/98/861978498.db2.gz LCHDAAGCTWNCOO-UHFFFAOYSA-N -1 1 420.465 4.328 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCCO1 ZINC000436786332 861980047 /nfs/dbraw/zinc/98/00/47/861980047.db2.gz XKLZQCJNVOLZJZ-LBPRGKRZSA-N -1 1 423.296 4.202 20 0 HIADMM CN(CCc1ccc(Br)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC000436808732 861996065 /nfs/dbraw/zinc/99/60/65/861996065.db2.gz QKHPQTOPFVMBJT-UHFFFAOYSA-N -1 1 413.109 4.232 20 0 HIADMM N#C[C@@H](C(=O)C=Cc1ccc(Cl)s1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817469 849271253 /nfs/dbraw/zinc/27/12/53/849271253.db2.gz XHPINPXOXASURB-PZBABLGHSA-N -1 1 415.927 4.468 20 0 HIADMM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436817772 862000337 /nfs/dbraw/zinc/00/03/37/862000337.db2.gz CHXNDRRILMLSFI-JTQLQIEISA-N -1 1 400.258 4.374 20 0 HIADMM O=C(N[C@H]1CCCc2sccc21)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436828554 862009544 /nfs/dbraw/zinc/00/95/44/862009544.db2.gz YVWNNPUQGDFMMA-PMACEKPBSA-N -1 1 420.534 4.405 20 0 HIADMM CCN(CC(C)(C)C)C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436829577 862010399 /nfs/dbraw/zinc/01/03/99/862010399.db2.gz BBNLPUZYKVWTED-UHFFFAOYSA-N -1 1 414.502 4.170 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(C1CC1)C1CC1 ZINC000050682740 849404485 /nfs/dbraw/zinc/40/44/85/849404485.db2.gz SMIOGNSBTVRPKN-UHFFFAOYSA-N -1 1 418.946 4.401 20 0 HIADMM Cc1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])cc2o1 ZINC000436843723 862019641 /nfs/dbraw/zinc/01/96/41/862019641.db2.gz AEVVFFJFMFGMKQ-HXUWFJFHSA-N -1 1 415.449 4.238 20 0 HIADMM Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000051286275 849453598 /nfs/dbraw/zinc/45/35/98/849453598.db2.gz UTGVAIWVVLXYDC-OAHLLOKOSA-N -1 1 401.890 4.243 20 0 HIADMM CS[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])C(C)(C)C ZINC000436844672 862021623 /nfs/dbraw/zinc/02/16/23/862021623.db2.gz OWOXPMZLSGPLPH-RTBURBONSA-N -1 1 414.571 4.044 20 0 HIADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(Br)cc1[O-] ZINC000051467819 849473392 /nfs/dbraw/zinc/47/33/92/849473392.db2.gz FRSHSRLYBGQHNB-DNVCBOLYSA-N -1 1 404.304 4.395 20 0 HIADMM O=C(N[C@H]1CSc2ccccc21)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436859075 862039999 /nfs/dbraw/zinc/03/99/99/862039999.db2.gz WTMCWEGIZSAKEJ-PMACEKPBSA-N -1 1 418.518 4.113 20 0 HIADMM Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cc(Br)ccc1[O-] ZINC000436863287 862041513 /nfs/dbraw/zinc/04/15/13/862041513.db2.gz IICMEZQNNKQOLW-UHFFFAOYSA-N -1 1 404.239 4.099 20 0 HIADMM COc1ccc(Br)c(CN(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000436869349 862046376 /nfs/dbraw/zinc/04/63/76/862046376.db2.gz CVZZKQQKUBLSNF-UHFFFAOYSA-N -1 1 414.683 4.098 20 0 HIADMM CCOc1cc(-c2noc(-c3noc4c3C[C@H](C)CC4)n2)cc(Br)c1[O-] ZINC000436868626 862046443 /nfs/dbraw/zinc/04/64/43/862046443.db2.gz AVKUBGFNLFMODD-SECBINFHSA-N -1 1 420.263 4.383 20 0 HIADMM O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436871770 862048464 /nfs/dbraw/zinc/04/84/64/862048464.db2.gz ICYFANNBCKATTA-OAHLLOKOSA-N -1 1 419.359 4.160 20 0 HIADMM CCC(=O)Nc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)cc1 ZINC000053663859 849743892 /nfs/dbraw/zinc/74/38/92/849743892.db2.gz PHCFOQCAEWXSLH-UHFFFAOYSA-N -1 1 409.515 4.293 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(=O)[nH]c(C4CC4)c3)n2)cc(Br)c1[O-] ZINC000436875129 862052120 /nfs/dbraw/zinc/05/21/20/862052120.db2.gz WMLHTAWGRJIWLO-UHFFFAOYSA-N -1 1 418.247 4.248 20 0 HIADMM COc1cc(-c2noc(-c3ccc(OC)c(OC)c3C)n2)cc(Br)c1[O-] ZINC000436877332 862054641 /nfs/dbraw/zinc/05/46/41/862054641.db2.gz GDHMWWHTMSVFLL-UHFFFAOYSA-N -1 1 421.247 4.206 20 0 HIADMM COc1cc(-c2noc([C@H](C)OCc3ccccc3)n2)cc(Br)c1[O-] ZINC000436876483 862054840 /nfs/dbraw/zinc/05/48/40/862054840.db2.gz ZKYRBYNMMVBEDM-NSHDSACASA-N -1 1 405.248 4.491 20 0 HIADMM CCOc1cc(-c2nc([C@@H](NC(=O)c3ccccc3)C3CC3)no2)cc(Cl)c1[O-] ZINC000436883961 862062524 /nfs/dbraw/zinc/06/25/24/862062524.db2.gz DNMLBFDYPBWNSY-KRWDZBQOSA-N -1 1 413.861 4.375 20 0 HIADMM COc1ccc(-n2nc(C(=O)Nc3cc(C)cc(Br)c3[O-])cc2C)cc1 ZINC000436890037 862065998 /nfs/dbraw/zinc/06/59/98/862065998.db2.gz AUKWLCDORZRKEO-UHFFFAOYSA-N -1 1 416.275 4.218 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)c([O-])c2)c1 ZINC000436894759 862069849 /nfs/dbraw/zinc/06/98/49/862069849.db2.gz GRTPFXLOBDZMOV-UHFFFAOYSA-N -1 1 417.421 4.379 20 0 HIADMM CO[C@@H]1CC[C@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000436896677 862072056 /nfs/dbraw/zinc/07/20/56/862072056.db2.gz TVXBXXZVIOSNDH-GXTWGEPZSA-N -1 1 423.296 4.249 20 0 HIADMM CC(C)c1nnc(-c2ccccc2NC(=O)c2cc(F)cc(Br)c2[O-])[nH]1 ZINC000436898610 862074019 /nfs/dbraw/zinc/07/40/19/862074019.db2.gz ZAZXEVCDXXTZRP-UHFFFAOYSA-N -1 1 419.254 4.455 20 0 HIADMM CN(Cc1ccc(F)cc1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000055109202 849971921 /nfs/dbraw/zinc/97/19/21/849971921.db2.gz XBGQLJRNLXQOEO-UHFFFAOYSA-N -1 1 414.383 4.334 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C1(c2ccc(F)cc2F)CCC1 ZINC000436899387 862076543 /nfs/dbraw/zinc/07/65/43/862076543.db2.gz CWFHGXFMZWSPHP-UHFFFAOYSA-N -1 1 404.804 4.169 20 0 HIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C1(c2ccc(F)cc2F)CCC1 ZINC000436899387 862076563 /nfs/dbraw/zinc/07/65/63/862076563.db2.gz CWFHGXFMZWSPHP-UHFFFAOYSA-N -1 1 404.804 4.169 20 0 HIADMM O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315939 849999246 /nfs/dbraw/zinc/99/92/46/849999246.db2.gz JGEOOZLDFWBVOC-UHFFFAOYSA-N -1 1 413.473 4.358 20 0 HIADMM Cc1occc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000055461004 850030660 /nfs/dbraw/zinc/03/06/60/850030660.db2.gz RDDFVHFTPRECRW-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1NC(=O)c1cccc(F)c1 ZINC000055594788 850072333 /nfs/dbraw/zinc/07/23/33/850072333.db2.gz ATOXEKNLEGAAHC-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC(F)(F)F)ccc2C)cc1 ZINC000055615682 850079123 /nfs/dbraw/zinc/07/91/23/850079123.db2.gz GTLAMDTWJFEEEH-UHFFFAOYSA-N -1 1 414.449 4.040 20 0 HIADMM O=C(NC1CC1)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000055639342 850086294 /nfs/dbraw/zinc/08/62/94/850086294.db2.gz LISURSVVUPEIRY-UHFFFAOYSA-N -1 1 418.824 4.052 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)cc1 ZINC000055642614 850088411 /nfs/dbraw/zinc/08/84/11/850088411.db2.gz ZITKJRZBRPGFND-IAGOWNOFSA-N -1 1 400.544 4.222 20 0 HIADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000055658046 850101517 /nfs/dbraw/zinc/10/15/17/850101517.db2.gz AUPJZCJFHOPWRL-NRFANRHFSA-N -1 1 410.470 4.044 20 0 HIADMM COc1ccc2cccc(CC(=O)Nc3n[nH]c(-c4ccc([O-])c(Cl)c4)n3)c2c1 ZINC000436917358 862097910 /nfs/dbraw/zinc/09/79/10/862097910.db2.gz DIWHXZVWNDOKJG-UHFFFAOYSA-N -1 1 408.845 4.174 20 0 HIADMM COc1ccc2cccc(CC(=O)Nc3nc(-c4ccc([O-])c(Cl)c4)n[nH]3)c2c1 ZINC000436917358 862097921 /nfs/dbraw/zinc/09/79/21/862097921.db2.gz DIWHXZVWNDOKJG-UHFFFAOYSA-N -1 1 408.845 4.174 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c(=O)[n-]1 ZINC000055949848 850214857 /nfs/dbraw/zinc/21/48/57/850214857.db2.gz VLHIFBKDFFZDRW-UHFFFAOYSA-N -1 1 413.474 4.303 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N(Cc1ccccc1)CC1CCOCC1 ZINC000436926651 862106270 /nfs/dbraw/zinc/10/62/70/862106270.db2.gz NZHNDXQSZIPWBB-UHFFFAOYSA-N -1 1 404.304 4.224 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(C)n1 ZINC000056062516 850236799 /nfs/dbraw/zinc/23/67/99/850236799.db2.gz IHIQDJFSTSVSIL-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM C[C@H](c1ccco1)N(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000056181507 850274528 /nfs/dbraw/zinc/27/45/28/850274528.db2.gz QUIBAEMJQXJDSP-MRXNPFEDSA-N -1 1 410.495 4.446 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000056212751 850286192 /nfs/dbraw/zinc/28/61/92/850286192.db2.gz IRZSIAZKZRCIJB-UHFFFAOYSA-N -1 1 407.499 4.214 20 0 HIADMM CN(C(=O)c1cc(Br)ccc1[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000436942015 862119652 /nfs/dbraw/zinc/11/96/52/862119652.db2.gz SSCYLICAGJJBMN-QAPCUYQASA-N -1 1 408.267 4.286 20 0 HIADMM CCOc1cccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000056603878 850410649 /nfs/dbraw/zinc/41/06/49/850410649.db2.gz KSQKRQGGPJBMMP-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(COC(C)C)c2)c1 ZINC000436952420 862130884 /nfs/dbraw/zinc/13/08/84/862130884.db2.gz WEBDUIAAYDBHFI-UHFFFAOYSA-N -1 1 409.442 4.118 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000436952216 862131321 /nfs/dbraw/zinc/13/13/21/862131321.db2.gz IJSZIJFBGPUTGP-INIZCTEOSA-N -1 1 414.658 4.161 20 0 HIADMM O=C(Nc1ccc(-c2csnn2)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000056787337 850482335 /nfs/dbraw/zinc/48/23/35/850482335.db2.gz GMSVJMTUGBSFTB-UHFFFAOYSA-N -1 1 408.483 4.038 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC000056935732 850519440 /nfs/dbraw/zinc/51/94/40/850519440.db2.gz XNFOGAIOVDBCJH-HNNXBMFYSA-N -1 1 416.518 4.338 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC)cc2)c2ccccc12 ZINC000057118804 850550558 /nfs/dbraw/zinc/55/05/58/850550558.db2.gz CSYFJYPGUKIOCE-UHFFFAOYSA-N -1 1 400.456 4.218 20 0 HIADMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000057123528 850553797 /nfs/dbraw/zinc/55/37/97/850553797.db2.gz IVACCEDDMRGSJM-UHFFFAOYSA-N -1 1 418.946 4.083 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)nc2)cc1 ZINC000057125960 850555435 /nfs/dbraw/zinc/55/54/35/850555435.db2.gz YDYGLGOWRVNUOS-UHFFFAOYSA-N -1 1 417.874 4.287 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)N3CCCC3)cc2)cc1Cl ZINC000057125226 850555615 /nfs/dbraw/zinc/55/56/15/850555615.db2.gz IZSZRNQJZQAQSO-UHFFFAOYSA-N -1 1 406.935 4.004 20 0 HIADMM Cc1ccc(CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000057213278 850580812 /nfs/dbraw/zinc/58/08/12/850580812.db2.gz ZGIYLHCBFDWEOQ-UHFFFAOYSA-N -1 1 400.525 4.347 20 0 HIADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000436970632 862148625 /nfs/dbraw/zinc/14/86/25/862148625.db2.gz FIZOZRASGRMBKG-AWEZNQCLSA-N -1 1 410.420 4.343 20 0 HIADMM CCOc1cc(Cl)ccc1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436975271 862153334 /nfs/dbraw/zinc/15/33/34/862153334.db2.gz IZIWZXVTOJNWEL-UHFFFAOYSA-N -1 1 415.833 4.245 20 0 HIADMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000057564465 850670292 /nfs/dbraw/zinc/67/02/92/850670292.db2.gz SWJBNPYWQBQAJH-UHFFFAOYSA-N -1 1 403.373 4.234 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000436977942 862156416 /nfs/dbraw/zinc/15/64/16/862156416.db2.gz FTMDWDHRWUSYAA-OAQYLSRUSA-N -1 1 406.526 4.333 20 0 HIADMM Cc1ccc(C[C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436983236 862162797 /nfs/dbraw/zinc/16/27/97/862162797.db2.gz WCUCDCONNHCRJA-YCRPNKLZSA-N -1 1 422.550 4.267 20 0 HIADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436983955 862162814 /nfs/dbraw/zinc/16/28/14/862162814.db2.gz AZVGNLVSJWLXKW-HZSPNIEDSA-N -1 1 402.441 4.429 20 0 HIADMM CSCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000058062353 850760719 /nfs/dbraw/zinc/76/07/19/850760719.db2.gz NQMAANXZTDGBLP-UHFFFAOYSA-N -1 1 418.512 4.104 20 0 HIADMM CCc1cc2c(COC(=O)CCC(=O)c3cc(C)ccc3C)cc(=O)oc2cc1[O-] ZINC000058070489 850761185 /nfs/dbraw/zinc/76/11/85/850761185.db2.gz MTZPMWQWRDQQDA-UHFFFAOYSA-N -1 1 408.450 4.384 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CC3(C2)CCCCC3)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436985289 862164762 /nfs/dbraw/zinc/16/47/62/862164762.db2.gz OFZRELQPVAYGNS-UHFFFAOYSA-N -1 1 400.425 4.329 20 0 HIADMM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1sccc1Br ZINC000058119807 850769100 /nfs/dbraw/zinc/76/91/00/850769100.db2.gz HONYZZAZCMAHJM-UHFFFAOYSA-N -1 1 400.241 4.008 20 0 HIADMM Cc1ccc(C(=O)C2CCN(Cn3c(Cc4cccs4)n[n-]c3=S)CC2)cc1 ZINC000058206163 850781414 /nfs/dbraw/zinc/78/14/14/850781414.db2.gz FITKMPIEYSCJMA-UHFFFAOYSA-N -1 1 412.584 4.454 20 0 HIADMM Cc1ccc(NC(=O)[C@@H](C)OCc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058225296 850783423 /nfs/dbraw/zinc/78/34/23/850783423.db2.gz HITFXDVVGRPLAT-GOSISDBHSA-N -1 1 424.522 4.340 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N([C@@H](C)C(C)C)C3CC3)cc2)cc1 ZINC000058262964 850789190 /nfs/dbraw/zinc/78/91/90/850789190.db2.gz BSLKBUXBTBPIFT-INIZCTEOSA-N -1 1 416.543 4.145 20 0 HIADMM Cc1nc(COC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)oc1C ZINC000058303181 850797623 /nfs/dbraw/zinc/79/76/23/850797623.db2.gz IILHCHJSPXCZNE-UHFFFAOYSA-N -1 1 414.483 4.066 20 0 HIADMM CC(C)(C)N1CC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436999618 862171397 /nfs/dbraw/zinc/17/13/97/862171397.db2.gz KJQDLMULSXADMN-MOPGFXCFSA-N -1 1 418.896 4.098 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCCC4(CCC4)C3)c([O-])c2)c1 ZINC000436998038 862172023 /nfs/dbraw/zinc/17/20/23/862172023.db2.gz KAYPSWNHLZEGOX-UHFFFAOYSA-N -1 1 424.497 4.068 20 0 HIADMM COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000437007515 862181879 /nfs/dbraw/zinc/18/18/79/862181879.db2.gz ZCVHHHVRLAOUPT-DHIUTWEWSA-N -1 1 401.462 4.341 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)OCc1ccc(F)cc1 ZINC000058818027 850937141 /nfs/dbraw/zinc/93/71/41/850937141.db2.gz CTCZNLGTIXRRSZ-UHFFFAOYSA-N -1 1 417.433 4.052 20 0 HIADMM CCOc1ccc(/C=C(/C#N)C(=O)OCc2cc(=O)oc3cc([O-])c(CC)cc23)cc1 ZINC000058833472 850941739 /nfs/dbraw/zinc/94/17/39/850941739.db2.gz PKRVGCLAVAMJNY-MFOYZWKCSA-N -1 1 419.433 4.110 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(-c3cccs3)[nH]n2)cc1 ZINC000059889273 851022219 /nfs/dbraw/zinc/02/22/19/851022219.db2.gz JGAQXTLPCFMSIX-UHFFFAOYSA-N -1 1 410.528 4.397 20 0 HIADMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)c2)n1 ZINC000060059904 851035466 /nfs/dbraw/zinc/03/54/66/851035466.db2.gz UKERNNHLBJJMEU-UHFFFAOYSA-N -1 1 417.512 4.157 20 0 HIADMM Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060401466 851088247 /nfs/dbraw/zinc/08/82/47/851088247.db2.gz KDMVCBNTLGWAEX-KRWDZBQOSA-N -1 1 410.495 4.202 20 0 HIADMM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]NC(=O)c3sccc3C3CC3)cc12 ZINC000060476751 851112310 /nfs/dbraw/zinc/11/23/10/851112310.db2.gz MSJQGHHWTVXAFJ-UHFFFAOYSA-N -1 1 422.535 4.409 20 0 HIADMM Cc1cc(C)c(OCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)c1 ZINC000060488436 851117783 /nfs/dbraw/zinc/11/77/83/851117783.db2.gz WVKOWQCSROYYOF-INIZCTEOSA-N -1 1 421.522 4.044 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)c(C)c1 ZINC000063179740 851628121 /nfs/dbraw/zinc/62/81/21/851628121.db2.gz KSRFAMAHGKKWNH-UHFFFAOYSA-N -1 1 404.532 4.067 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)c3cnoc3C)ccc2Cl)s1 ZINC000063179175 851628596 /nfs/dbraw/zinc/62/85/96/851628596.db2.gz QFQNPSGAZAFJEX-UHFFFAOYSA-N -1 1 411.892 4.059 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1 ZINC000063442853 851690850 /nfs/dbraw/zinc/69/08/50/851690850.db2.gz XTNDFVUYYFTCGE-UHFFFAOYSA-N -1 1 418.515 4.341 20 0 HIADMM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)[N-]n1c(C)nc2sccc2c1=O ZINC000063573001 851716857 /nfs/dbraw/zinc/71/68/57/851716857.db2.gz MIZCWVZQKWDPHN-UHFFFAOYSA-N -1 1 410.524 4.199 20 0 HIADMM Cc1ccc(CCCCC(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)cc1 ZINC000063809900 851769802 /nfs/dbraw/zinc/76/98/02/851769802.db2.gz WBDHMYGWSKWETC-UHFFFAOYSA-N -1 1 401.561 4.185 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]3C(C)C)cc2)c1 ZINC000063814751 851770746 /nfs/dbraw/zinc/77/07/46/851770746.db2.gz NVNAYUOUCLEORM-FQEVSTJZSA-N -1 1 400.544 4.365 20 0 HIADMM CCCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000063851176 851778351 /nfs/dbraw/zinc/77/83/51/851778351.db2.gz KSRSDWOQIVLJGD-UHFFFAOYSA-N -1 1 414.449 4.210 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CC3CCCC3)cc2)c1C ZINC000064088858 851825683 /nfs/dbraw/zinc/82/56/83/851825683.db2.gz AEHLNQJNTFOMFK-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CC3CCCC3)ccc2C)c1 ZINC000064088847 851825975 /nfs/dbraw/zinc/82/59/75/851825975.db2.gz SDQGIVYOCFYYDF-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[N-]OCc1ccccc1 ZINC000064419660 851893272 /nfs/dbraw/zinc/89/32/72/851893272.db2.gz RUDSPBZFDUWZBG-UHFFFAOYSA-N -1 1 401.441 4.469 20 0 HIADMM Cc1ccc(NC(=O)c2ccc3c(c2)COC3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000064488635 851911518 /nfs/dbraw/zinc/91/15/18/851911518.db2.gz PFQUFYUBLRREEK-UHFFFAOYSA-N -1 1 408.479 4.078 20 0 HIADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064937942 852026455 /nfs/dbraw/zinc/02/64/55/852026455.db2.gz AFKNXYBZMGUMAH-UHFFFAOYSA-N -1 1 404.435 4.448 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)ccc1C ZINC000064937936 852026574 /nfs/dbraw/zinc/02/65/74/852026574.db2.gz UMMRNKCCFXJMRB-UHFFFAOYSA-N -1 1 404.435 4.366 20 0 HIADMM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000065069608 852052485 /nfs/dbraw/zinc/05/24/85/852052485.db2.gz QAIDNSZPPFHKKW-UHFFFAOYSA-N -1 1 420.437 4.287 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccncc4)cc3)c3cccc1c23 ZINC000065079771 852057894 /nfs/dbraw/zinc/05/78/94/852057894.db2.gz DLHRAWMVMZUJDO-UHFFFAOYSA-N -1 1 417.446 4.394 20 0 HIADMM CCc1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000065107444 852065803 /nfs/dbraw/zinc/06/58/03/852065803.db2.gz OARUKZYNOACAPX-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000065875083 852297584 /nfs/dbraw/zinc/29/75/84/852297584.db2.gz PXGDNKOVQLJSGL-UHFFFAOYSA-N -1 1 421.950 4.344 20 0 HIADMM C#CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CCCCC1 ZINC000065912237 852313396 /nfs/dbraw/zinc/31/33/96/852313396.db2.gz BIMYHFXFZIGDSY-UHFFFAOYSA-N -1 1 414.502 4.035 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)cc2)cc1 ZINC000065925009 852317039 /nfs/dbraw/zinc/31/70/39/852317039.db2.gz JMZOLPXNTGEVRK-JREAUHRESA-N -1 1 424.566 4.447 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccccc1OC(F)(F)F ZINC000071826172 852413820 /nfs/dbraw/zinc/41/38/20/852413820.db2.gz OOJPKTVLIALIHI-UHFFFAOYSA-N -1 1 414.174 4.288 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)o1 ZINC000071935225 852436367 /nfs/dbraw/zinc/43/63/67/852436367.db2.gz HWSHFDPGWZLZIJ-IBGZPJMESA-N -1 1 404.532 4.018 20 0 HIADMM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000072093416 852506221 /nfs/dbraw/zinc/50/62/21/852506221.db2.gz OSZYLJFQIIERIY-UHFFFAOYSA-N -1 1 424.888 4.358 20 0 HIADMM O=C(Nc1cc(F)c(F)cc1F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000078509121 852517818 /nfs/dbraw/zinc/51/78/18/852517818.db2.gz JKKJNXAAMABLHW-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=S(=O)([N-]c1ccc(Cc2nnc3ccccn32)cc1)c1cccc2ccccc21 ZINC000437174632 862368135 /nfs/dbraw/zinc/36/81/35/862368135.db2.gz BYKDVCJGNYXPFZ-UHFFFAOYSA-N -1 1 414.490 4.274 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(C)ccc2F)cc1 ZINC000097039803 852576519 /nfs/dbraw/zinc/57/65/19/852576519.db2.gz FXBCLIMFUCLKSY-UHFFFAOYSA-N -1 1 400.479 4.483 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000097091387 852583102 /nfs/dbraw/zinc/58/31/02/852583102.db2.gz HBEMJWWGSGOJLC-UHFFFAOYSA-N -1 1 408.527 4.315 20 0 HIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)CC1 ZINC000097570238 852632167 /nfs/dbraw/zinc/63/21/67/852632167.db2.gz KXQPBAMFQBMDGS-UHFFFAOYSA-N -1 1 414.560 4.496 20 0 HIADMM Cc1nc(-c2cccc(NC(=O)CCn3c(=S)[n-]nc3-c3cccc(C)c3)c2)n[nH]1 ZINC000108057993 852820068 /nfs/dbraw/zinc/82/00/68/852820068.db2.gz BRGPQFITGBXZRQ-UHFFFAOYSA-N -1 1 419.514 4.038 20 0 HIADMM O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1ccc(F)c2ncccc12 ZINC000108436557 852851341 /nfs/dbraw/zinc/85/13/41/852851341.db2.gz AUYREYKEZICUFE-UHFFFAOYSA-N -1 1 418.500 4.177 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1Cl ZINC000108437650 852851374 /nfs/dbraw/zinc/85/13/74/852851374.db2.gz APUYEJCVURIQOJ-UHFFFAOYSA-N -1 1 413.933 4.152 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccccc2N2CCCC2)c1 ZINC000108707118 852874522 /nfs/dbraw/zinc/87/45/22/852874522.db2.gz NEYJGIARUIDIOD-UHFFFAOYSA-N -1 1 421.570 4.223 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c2ccccc12 ZINC000108929002 852894444 /nfs/dbraw/zinc/89/44/44/852894444.db2.gz RECNMGSRXNONES-UHFFFAOYSA-N -1 1 410.495 4.388 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000109127645 852925830 /nfs/dbraw/zinc/92/58/30/852925830.db2.gz UZHJISFXWWCVQN-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000109333392 852954137 /nfs/dbraw/zinc/95/41/37/852954137.db2.gz VDTBDVHNGIUBKX-UHFFFAOYSA-N -1 1 401.532 4.081 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCS[C@@H](C(C)C)C3)c2)cc1 ZINC000437220130 862412128 /nfs/dbraw/zinc/41/21/28/862412128.db2.gz LAYSQQPJUUCWJU-HXUWFJFHSA-N -1 1 418.584 4.009 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCS[C@H](C(C)C)C3)c2)cc1 ZINC000437220128 862412679 /nfs/dbraw/zinc/41/26/79/862412679.db2.gz LAYSQQPJUUCWJU-FQEVSTJZSA-N -1 1 418.584 4.009 20 0 HIADMM O=C(NCc1cc2ccccc2o1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110222674 853076037 /nfs/dbraw/zinc/07/60/37/853076037.db2.gz FMCMWBDVFGSSIX-NRFANRHFSA-N -1 1 414.461 4.213 20 0 HIADMM Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000110232067 853076952 /nfs/dbraw/zinc/07/69/52/853076952.db2.gz KGBNFRMBRFUZLL-QFIPXVFZSA-N -1 1 402.494 4.083 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000110551589 853116180 /nfs/dbraw/zinc/11/61/80/853116180.db2.gz WJKPUECYHGNPAY-LJQANCHMSA-N -1 1 407.543 4.019 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000115529753 853253776 /nfs/dbraw/zinc/25/37/76/853253776.db2.gz JIUYFCBAGVIKSS-UHFFFAOYSA-N -1 1 422.539 4.371 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(C)s2)cc1 ZINC000115725387 853261888 /nfs/dbraw/zinc/26/18/88/853261888.db2.gz JCFNOFNIUDHVEF-ZDUSSCGKSA-N -1 1 402.545 4.254 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]3C(C)C)cc2)ccc1F ZINC000115906563 853271656 /nfs/dbraw/zinc/27/16/56/853271656.db2.gz RPZKRGVVSYJMNY-HXUWFJFHSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(NCCc1ccc(Cl)s1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000117457245 853358052 /nfs/dbraw/zinc/35/80/52/853358052.db2.gz VKEAQTPBXPVNOC-UHFFFAOYSA-N -1 1 420.943 4.175 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1Br ZINC000131985131 853372152 /nfs/dbraw/zinc/37/21/52/853372152.db2.gz AIYPETXUQMLZOS-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM CSc1nc(C)c(CCC(=O)O[C@@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000138234133 853381189 /nfs/dbraw/zinc/38/11/89/853381189.db2.gz VNOMUOTUBBFFCZ-JTQLQIEISA-N -1 1 401.315 4.344 20 0 HIADMM O=C(Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000143429007 853515115 /nfs/dbraw/zinc/51/51/15/853515115.db2.gz DBBQPGOCERIPJF-UHFFFAOYSA-N -1 1 405.479 4.150 20 0 HIADMM Cc1nc(-c2ccc(NC(=O)c3cc(C)ccc3[N-]S(C)(=O)=O)cc2)cs1 ZINC000143821330 853523632 /nfs/dbraw/zinc/52/36/32/853523632.db2.gz QLGSGTBMLZGFAA-UHFFFAOYSA-N -1 1 401.513 4.051 20 0 HIADMM Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1 ZINC000147218067 853584822 /nfs/dbraw/zinc/58/48/22/853584822.db2.gz HHAMSYNKRKIDAK-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000195700332 853766192 /nfs/dbraw/zinc/76/61/92/853766192.db2.gz UNBHRGOLSCGKRQ-CALCHBBNSA-N -1 1 402.560 4.399 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000195700210 853766482 /nfs/dbraw/zinc/76/64/82/853766482.db2.gz WRWBIOVKKYGPAJ-CHWSQXEVSA-N -1 1 415.342 4.408 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000195700268 853766645 /nfs/dbraw/zinc/76/66/45/853766645.db2.gz OPHMIFOMADAOKX-OKILXGFUSA-N -1 1 414.449 4.120 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)cc1F ZINC000195722171 853778486 /nfs/dbraw/zinc/77/84/86/853778486.db2.gz CGGUNORIGMYEQN-UHFFFAOYSA-N -1 1 422.865 4.263 20 0 HIADMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)c(=O)o1 ZINC000207864479 853804751 /nfs/dbraw/zinc/80/47/51/853804751.db2.gz BSGLUOPIAACRAT-WHIOSMTNSA-N -1 1 412.445 4.076 20 0 HIADMM O=C1C(=Cc2ccc([O-])c(Cl)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000214137301 853829016 /nfs/dbraw/zinc/82/90/16/853829016.db2.gz YLHZUAKTBXUIEK-MDWZMJQESA-N -1 1 414.792 4.206 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000219128894 853866980 /nfs/dbraw/zinc/86/69/80/853866980.db2.gz GOKJCWJPNOGWPX-UHFFFAOYSA-N -1 1 416.934 4.329 20 0 HIADMM COc1ccc2c(C)cc3nnc(SCc4cc(=O)oc5cc([O-])ccc45)n3c2c1 ZINC000255927589 854219009 /nfs/dbraw/zinc/21/90/09/854219009.db2.gz BFTSJLMVVLVXJO-UHFFFAOYSA-N -1 1 419.462 4.304 20 0 HIADMM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261379470 854240522 /nfs/dbraw/zinc/24/05/22/854240522.db2.gz WCXJPVPUFPSMMC-URXFXBBRSA-N -1 1 422.525 4.164 20 0 HIADMM O=c1[n-]c(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)nc2c1cnn2-c1ccccc1 ZINC000301363496 854372168 /nfs/dbraw/zinc/37/21/68/854372168.db2.gz RHBLSVPLIJABSZ-UHFFFAOYSA-N -1 1 421.873 4.111 20 0 HIADMM COc1ccc([C@@H]2CCCN2c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c(OC)c1 ZINC000301496148 854407877 /nfs/dbraw/zinc/40/78/77/854407877.db2.gz BAXVYTPZPBMKDG-IBGZPJMESA-N -1 1 406.486 4.220 20 0 HIADMM Cc1csc([C@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)n1 ZINC000301564914 854420809 /nfs/dbraw/zinc/42/08/09/854420809.db2.gz KEOUDFDWDQJNJA-NSHDSACASA-N -1 1 410.471 4.099 20 0 HIADMM CCc1nc([C@@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)cs1 ZINC000301568340 854421718 /nfs/dbraw/zinc/42/17/18/854421718.db2.gz LFECCUOTQYDLPV-LLVKDONJSA-N -1 1 424.498 4.353 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(-c4cccc(OC)c4)nc3c2)cc1 ZINC000301604652 854427885 /nfs/dbraw/zinc/42/78/85/854427885.db2.gz ILQBVFOBXJPUCY-UHFFFAOYSA-N -1 1 409.467 4.048 20 0 HIADMM O=S(=O)([N-]c1ccccc1CNc1c(F)c(F)nc(F)c1F)c1ccccc1 ZINC000301614089 854430772 /nfs/dbraw/zinc/43/07/72/854430772.db2.gz UIGXMQUNZUEPIU-UHFFFAOYSA-N -1 1 411.380 4.051 20 0 HIADMM O=S(=O)([N-]c1ccccc1CNc1cc(Cl)nc(C2CC2)n1)c1ccccc1 ZINC000302013352 854516515 /nfs/dbraw/zinc/51/65/15/854516515.db2.gz XCPZSCHSTBIFMH-UHFFFAOYSA-N -1 1 414.918 4.420 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc(Cl)c1[O-] ZINC000437314264 862579081 /nfs/dbraw/zinc/57/90/81/862579081.db2.gz VDFJWXIMEOURDE-DZGCQCFKSA-N -1 1 410.695 4.493 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2N(C)Cc2ccccc2)cc1 ZINC000437326562 862594211 /nfs/dbraw/zinc/59/42/11/862594211.db2.gz NYVXSJWFCVMLGK-UHFFFAOYSA-N -1 1 423.538 4.107 20 0 HIADMM Cc1nc(-c2ccc(NC(=O)CCn3c(=S)[n-]nc3-c3ccc(C)cc3)cc2)n[nH]1 ZINC000303003515 854717906 /nfs/dbraw/zinc/71/79/06/854717906.db2.gz IILUXDVPSLBKHV-UHFFFAOYSA-N -1 1 419.514 4.038 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1cnn(-c2ccccc2)c1 ZINC000303017332 854724731 /nfs/dbraw/zinc/72/47/31/854724731.db2.gz KVZLYQJGZQRBSC-UHFFFAOYSA-N -1 1 410.890 4.085 20 0 HIADMM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000303365579 854894408 /nfs/dbraw/zinc/89/44/08/854894408.db2.gz ILHJUTUGQHQKQN-UHFFFAOYSA-N -1 1 412.298 4.107 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2ccc(Cl)nc2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000303616061 855079671 /nfs/dbraw/zinc/07/96/71/855079671.db2.gz ZTVGCPDHBNUOOH-UHFFFAOYSA-N -1 1 403.772 4.223 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCS[C@H](C)[C@@H]3C)c2)c1 ZINC000303691398 855136688 /nfs/dbraw/zinc/13/66/88/855136688.db2.gz MGGRZTFMZADXIG-DLBZAZTESA-N -1 1 418.584 4.070 20 0 HIADMM CS[C@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000303732719 855158204 /nfs/dbraw/zinc/15/82/04/855158204.db2.gz ZTYKVEBUVQPDMM-ROUUACIJSA-N -1 1 422.547 4.031 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC000303852090 855247535 /nfs/dbraw/zinc/24/75/35/855247535.db2.gz FVGRDKUXEYSQHU-QZTJIDSGSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCC2(c3cccc(Cl)c3)CC2)cc1 ZINC000303901957 855278296 /nfs/dbraw/zinc/27/82/96/855278296.db2.gz WBYQCKKSOCNNGB-UHFFFAOYSA-N -1 1 412.946 4.418 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3noc(C4CC4)n3)cc2)c(C)s1 ZINC000303906280 855280648 /nfs/dbraw/zinc/28/06/48/855280648.db2.gz LXVCGEHTMIFZSU-UHFFFAOYSA-N -1 1 405.501 4.005 20 0 HIADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000303914841 855287238 /nfs/dbraw/zinc/28/72/38/855287238.db2.gz NEBOBOJANFTIOC-CVEARBPZSA-N -1 1 404.507 4.277 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1c(Cl)cccc1Br ZINC000314444062 855375811 /nfs/dbraw/zinc/37/58/11/855375811.db2.gz GWIZLQZYDJFLQJ-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1sc(Br)cc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000322676863 855392283 /nfs/dbraw/zinc/39/22/83/855392283.db2.gz IWRROKUIMPTYOQ-SECBINFHSA-N -1 1 418.334 4.198 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000324969240 855401603 /nfs/dbraw/zinc/40/16/03/855401603.db2.gz LHXPJGLZRFYMOJ-UHFFFAOYSA-N -1 1 422.222 4.471 20 0 HIADMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000387385243 855445007 /nfs/dbraw/zinc/44/50/07/855445007.db2.gz DCXKJHCAPVLUPK-UHFFFAOYSA-N -1 1 405.657 4.120 20 0 HIADMM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000387521116 855445158 /nfs/dbraw/zinc/44/51/58/855445158.db2.gz WQTBSUHTRCUROC-UHFFFAOYSA-N -1 1 414.083 4.399 20 0 HIADMM COc1ccc(C(=O)Nc2cc(Br)ccc2OC(F)(F)F)c([O-])c1 ZINC000399377949 855478336 /nfs/dbraw/zinc/47/83/36/855478336.db2.gz YFFNKCHFZCVLIX-UHFFFAOYSA-N -1 1 406.154 4.314 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(-c4ccc(C)o4)n[nH]3)c2)n1 ZINC000410334374 855934037 /nfs/dbraw/zinc/93/40/37/855934037.db2.gz XYGSBZGAUNZJGD-UHFFFAOYSA-N -1 1 400.485 4.211 20 0 HIADMM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c(C)c1 ZINC000410376451 855960539 /nfs/dbraw/zinc/96/05/39/855960539.db2.gz VQFWGXWWWRMNJL-GFCCVEGCSA-N -1 1 412.964 4.439 20 0 HIADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000410399700 855974481 /nfs/dbraw/zinc/97/44/81/855974481.db2.gz FTFGEQKCPRDWSM-HNNXBMFYSA-N -1 1 422.522 4.252 20 0 HIADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3Br)[nH]n2)o1 ZINC000410404308 855978144 /nfs/dbraw/zinc/97/81/44/855978144.db2.gz ZJWQSPUBXVFCFV-UHFFFAOYSA-N -1 1 416.684 4.195 20 0 HIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000410413038 855983672 /nfs/dbraw/zinc/98/36/72/855983672.db2.gz IBJFFOZSXBMASF-UHFFFAOYSA-N -1 1 409.433 4.301 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)c1C ZINC000425956587 856017195 /nfs/dbraw/zinc/01/71/95/856017195.db2.gz DXNLXQLXSVRXEL-UHFFFAOYSA-N -1 1 405.516 4.288 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C ZINC000425970247 856022848 /nfs/dbraw/zinc/02/28/48/856022848.db2.gz ZMWWPMGNGCHHSC-UHFFFAOYSA-N -1 1 403.504 4.083 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1C ZINC000425979552 856028743 /nfs/dbraw/zinc/02/87/43/856028743.db2.gz KZBVFLIEYXCBNV-UHFFFAOYSA-N -1 1 404.488 4.348 20 0 HIADMM Cc1nc(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)ccc1C(=O)[O-] ZINC000426645226 856391444 /nfs/dbraw/zinc/39/14/44/856391444.db2.gz CFUISMDUOVTLNX-UHFFFAOYSA-N -1 1 418.522 4.351 20 0 HIADMM CCc1nc(CNCc2ccc(Oc3cc(OC)cc(OC)c3)cc2)ccc1C(=O)[O-] ZINC000426669977 856404411 /nfs/dbraw/zinc/40/44/11/856404411.db2.gz PMJWQWWWMIZISI-UHFFFAOYSA-N -1 1 422.481 4.442 20 0 HIADMM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccc(-c2cccc(Br)c2)o1 ZINC000426696503 856417556 /nfs/dbraw/zinc/41/75/56/856417556.db2.gz RXDCMPWUXHMWQD-GOSISDBHSA-N -1 1 400.272 4.495 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1ccc(OCC2CC2)cc1)C(=O)[O-] ZINC000426743666 856448096 /nfs/dbraw/zinc/44/80/96/856448096.db2.gz AYUDLBACSOHYDS-LJQANCHMSA-N -1 1 420.303 4.162 20 0 HIADMM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(Br)ccc2OC)cc1Cl ZINC000426747931 856452752 /nfs/dbraw/zinc/45/27/52/856452752.db2.gz SWLSCEGJJSTOCA-MRXNPFEDSA-N -1 1 414.683 4.035 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000426749083 856453870 /nfs/dbraw/zinc/45/38/70/856453870.db2.gz CKSUNIIOPJTRBS-OAHLLOKOSA-N -1 1 402.647 4.166 20 0 HIADMM CCOc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1OCC(F)(F)F ZINC000426786082 856476421 /nfs/dbraw/zinc/47/64/21/856476421.db2.gz SLGDAPCOTRTZKA-KRWDZBQOSA-N -1 1 401.356 4.081 20 0 HIADMM CCOc1cc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)cc(Br)c1OC ZINC000426791535 856480225 /nfs/dbraw/zinc/48/02/25/856480225.db2.gz FQODSGZPPPKSCF-CQSZACIVSA-N -1 1 412.280 4.063 20 0 HIADMM O=C([O-])[C@H](NCc1cc(Br)ccc1F)c1ccc(Br)cc1 ZINC000426796167 856483900 /nfs/dbraw/zinc/48/39/00/856483900.db2.gz ANFHLXCUFJXZEO-CQSZACIVSA-N -1 1 417.072 4.266 20 0 HIADMM COc1ccc(CCN(Cc2ccsc2)C(=O)c2ncc(C)cc2[O-])cc1OC ZINC000427179821 856695051 /nfs/dbraw/zinc/69/50/51/856695051.db2.gz SNFKYSQXJOFIJG-UHFFFAOYSA-N -1 1 412.511 4.059 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(-c4n[nH]c(C5CC5)n4)cc3)cc2s1 ZINC000427204934 856712086 /nfs/dbraw/zinc/71/20/86/856712086.db2.gz PZHPOVXLEVUBQT-UHFFFAOYSA-N -1 1 411.512 4.068 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)Nc4ccccn4)c3)cc2s1 ZINC000427210228 856714748 /nfs/dbraw/zinc/71/47/48/856714748.db2.gz RNLLYEFSWOJONQ-UHFFFAOYSA-N -1 1 424.507 4.053 20 0 HIADMM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000427261848 856742381 /nfs/dbraw/zinc/74/23/81/856742381.db2.gz BJSFLPFNDGPWSG-GANBNBROSA-N -1 1 418.795 4.005 20 0 HIADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(-c2ccc(OC(C)C)cc2)cc1F ZINC000427296669 856757440 /nfs/dbraw/zinc/75/74/40/856757440.db2.gz PKHMEQVEPNRJOS-UHFFFAOYSA-N -1 1 403.479 4.123 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H]4CCCC[C@H]4C3)c2)cc1F ZINC000427360899 856793803 /nfs/dbraw/zinc/79/38/03/856793803.db2.gz CBGBMZJMDYHSRI-ROUUACIJSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H]4CCCC[C@@H]4C3)c2)cc1F ZINC000427360898 856794624 /nfs/dbraw/zinc/79/46/24/856794624.db2.gz CBGBMZJMDYHSRI-QZTJIDSGSA-N -1 1 416.518 4.197 20 0 HIADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)o1 ZINC000437478927 862839100 /nfs/dbraw/zinc/83/91/00/862839100.db2.gz CQNMNHAXXXCEER-LIRRHRJNSA-N -1 1 410.518 4.140 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)C(F)(F)C3)cc2)c1C ZINC000427554533 856863583 /nfs/dbraw/zinc/86/35/83/856863583.db2.gz SCPPGWJOMZPFAA-HNNXBMFYSA-N -1 1 422.497 4.222 20 0 HIADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc(SC)[n-]c2=O)o1 ZINC000437487277 862844313 /nfs/dbraw/zinc/84/43/13/862844313.db2.gz YUCAUYMIWBDIGV-GUYCJALGSA-N -1 1 403.548 4.300 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1ccc(C2CCC2)cc1 ZINC000427563435 856867812 /nfs/dbraw/zinc/86/78/12/856867812.db2.gz LWUODYNWNWMJQF-UHFFFAOYSA-N -1 1 402.498 4.069 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](C)C(F)(F)C3)c2)c1 ZINC000427673344 856904520 /nfs/dbraw/zinc/90/45/20/856904520.db2.gz SNYGCEGSAARVKK-MRXNPFEDSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1cnc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c([O-])c1 ZINC000427757885 856940878 /nfs/dbraw/zinc/94/08/78/856940878.db2.gz ZBTYLHNFCROKHF-UHFFFAOYSA-N -1 1 401.388 4.352 20 0 HIADMM CN1Cc2cccc([N-]S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C1 ZINC000427773727 856948391 /nfs/dbraw/zinc/94/83/91/856948391.db2.gz LYSBMVMTVLLKKX-UHFFFAOYSA-N -1 1 424.366 4.470 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cnc2c(F)cccc2c1 ZINC000428011399 857041496 /nfs/dbraw/zinc/04/14/96/857041496.db2.gz ZZXBAWRIHFNDTD-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cnc2c(F)cccc2c1 ZINC000428169299 857095618 /nfs/dbraw/zinc/09/56/18/857095618.db2.gz DKJUKWMFEHCWBL-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CC(F)(F)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000428349836 857166018 /nfs/dbraw/zinc/16/60/18/857166018.db2.gz MKXMGDUUDAPUDY-UHFFFAOYSA-N -1 1 422.375 4.490 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000429091139 857505569 /nfs/dbraw/zinc/50/55/69/857505569.db2.gz DOLOPKWCEBHXCK-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ncc(F)cc1F ZINC000429453125 857678432 /nfs/dbraw/zinc/67/84/32/857678432.db2.gz YJXJZQPWGUVSFO-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000429828547 857900268 /nfs/dbraw/zinc/90/02/68/857900268.db2.gz KDASMOISTDQGMV-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000429828550 857900518 /nfs/dbraw/zinc/90/05/18/857900518.db2.gz KDASMOISTDQGMV-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)[C@@H]2CC[C@H](C)C2)c1 ZINC000430451725 858172067 /nfs/dbraw/zinc/17/20/67/858172067.db2.gz FHWCJZVTULTAIY-MAUKXSAKSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cc(C)nc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1 ZINC000430577567 858224843 /nfs/dbraw/zinc/22/48/43/858224843.db2.gz CILGYEMLPGNNOO-UHFFFAOYSA-N -1 1 406.667 4.208 20 0 HIADMM CC(C)Cn1cc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cn1 ZINC000430644060 858245895 /nfs/dbraw/zinc/24/58/95/858245895.db2.gz AAKBWVHCCSZMKQ-UHFFFAOYSA-N -1 1 423.698 4.049 20 0 HIADMM CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1nc2ccccn2n1 ZINC000430832353 858322279 /nfs/dbraw/zinc/32/22/79/858322279.db2.gz YOXDHPAPKKJFQU-UHFFFAOYSA-N -1 1 416.268 4.896 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccc(C)cc2F)c(C(F)(F)F)c1 ZINC000430979329 858390464 /nfs/dbraw/zinc/39/04/64/858390464.db2.gz VELHXIHMSHBUCT-UHFFFAOYSA-N -1 1 404.385 4.053 20 0 HIADMM COC(=O)c1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1Cl ZINC000431180418 858490383 /nfs/dbraw/zinc/49/03/83/858490383.db2.gz HCZVABWWQWXLNP-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ncc(Br)cn2)c1 ZINC000431186299 858493752 /nfs/dbraw/zinc/49/37/52/858493752.db2.gz GBJBNERZLOTMMU-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM Cc1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c(C)o1 ZINC000431250244 858531001 /nfs/dbraw/zinc/53/10/01/858531001.db2.gz WORMBXOWEDZOCD-UHFFFAOYSA-N -1 1 419.890 4.306 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ncccc3Cl)ccc2C)c1 ZINC000431273619 858542454 /nfs/dbraw/zinc/54/24/54/858542454.db2.gz CDRZDHHSONKODH-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1ccccc1[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)(C)C ZINC000431419719 858605760 /nfs/dbraw/zinc/60/57/60/858605760.db2.gz HUUONBLONJSXCU-NRFANRHFSA-N -1 1 404.514 4.307 20 0 HIADMM COc1ccsc1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431444520 858618549 /nfs/dbraw/zinc/61/85/49/858618549.db2.gz JFMXAPJJZQFDJR-UHFFFAOYSA-N -1 1 407.083 4.240 20 0 HIADMM CC(C)CCO[C@H](C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431448022 858620343 /nfs/dbraw/zinc/62/03/43/858620343.db2.gz JUTWGXWWWBWZNT-SECBINFHSA-N -1 1 409.118 4.307 20 0 HIADMM C[C@H]1CC[C@H](CCC(=O)Nc2cc([O-])c(Br)cc2Br)O1 ZINC000431455081 858624499 /nfs/dbraw/zinc/62/44/99/858624499.db2.gz AUCHCYUMURQLDI-DTWKUNHWSA-N -1 1 407.102 4.203 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1Cl ZINC000431669066 858727315 /nfs/dbraw/zinc/72/73/15/858727315.db2.gz DLCASCQMPAILNE-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM COc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000432008558 858922232 /nfs/dbraw/zinc/92/22/32/858922232.db2.gz QZIYVPSSJMAQTP-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CO[C@@H]1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000432059364 858956737 /nfs/dbraw/zinc/95/67/37/858956737.db2.gz BFMSORUOSJRZSV-RDTXWAMCSA-N -1 1 422.934 4.285 20 0 HIADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Br)c3)cc21 ZINC000432065590 858962844 /nfs/dbraw/zinc/96/28/44/858962844.db2.gz UDZXAQCRIGHLSX-UHFFFAOYSA-N -1 1 414.708 4.422 20 0 HIADMM COc1ccccc1CSc1ccccc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000432105388 858992993 /nfs/dbraw/zinc/99/29/93/858992993.db2.gz DDEFKXSBOGIYEQ-UHFFFAOYSA-N -1 1 417.508 4.236 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)ccc2[nH]1 ZINC000432175682 859032253 /nfs/dbraw/zinc/03/22/53/859032253.db2.gz JPRWUGAZCSVFNM-UHFFFAOYSA-N -1 1 402.781 4.001 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(OCc4ccc(F)cc4)c3)ccc2[nH]1 ZINC000432179625 859032608 /nfs/dbraw/zinc/03/26/08/859032608.db2.gz YQCWDEFWLMVAFL-UHFFFAOYSA-N -1 1 424.453 4.047 20 0 HIADMM Cc1ccccc1COc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432183377 859035408 /nfs/dbraw/zinc/03/54/08/859035408.db2.gz XTVWEMGAWXKVNM-UHFFFAOYSA-N -1 1 420.490 4.216 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)n(-c2ccncc2)n1 ZINC000432369198 859125977 /nfs/dbraw/zinc/12/59/77/859125977.db2.gz ULGCRWMMBSMDDF-UHFFFAOYSA-N -1 1 404.904 4.245 20 0 HIADMM C[C@H]1CC2(CCC2)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000432617805 859256700 /nfs/dbraw/zinc/25/67/00/859256700.db2.gz OPNDPCHJRAZUHG-AWEZNQCLSA-N -1 1 420.481 4.170 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C ZINC000432643908 859269561 /nfs/dbraw/zinc/26/95/61/859269561.db2.gz JAZWZTWUYOWYPG-UHFFFAOYSA-N -1 1 402.303 4.244 20 0 HIADMM Cc1cc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)ccn1 ZINC000432683419 859291799 /nfs/dbraw/zinc/29/17/99/859291799.db2.gz XPINDXQPUZFAQV-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc(-c2cscn2)no1 ZINC000432687594 859294369 /nfs/dbraw/zinc/29/43/69/859294369.db2.gz SCZXXZRZTAMLHD-UHFFFAOYSA-N -1 1 416.459 4.108 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nncn2C(C)C)cc1Cl ZINC000432767285 859347763 /nfs/dbraw/zinc/34/77/63/859347763.db2.gz KAXMZAYCKHMJDM-UHFFFAOYSA-N -1 1 420.922 4.297 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3c(C)cccc3C(C)C)c2)n1 ZINC000432896001 859414977 /nfs/dbraw/zinc/41/49/77/859414977.db2.gz BPACGMWTUJTYPH-UHFFFAOYSA-N -1 1 421.501 4.402 20 0 HIADMM CCC[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nn[n-]n1 ZINC000467640539 881437605 /nfs/dbraw/zinc/43/76/05/881437605.db2.gz LQYKOBYOJLNUHA-QGZVFWFLSA-N -1 1 401.923 4.417 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000433343882 859655331 /nfs/dbraw/zinc/65/53/31/859655331.db2.gz OTMQHMOHWAZINQ-LJQANCHMSA-N -1 1 414.456 4.016 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1 ZINC000433498166 859736523 /nfs/dbraw/zinc/73/65/23/859736523.db2.gz UHJQYTAJIKBDFB-QGZVFWFLSA-N -1 1 400.544 4.373 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC000433958407 860002854 /nfs/dbraw/zinc/00/28/54/860002854.db2.gz OEYQNBBDZPIQES-RBBKRZOGSA-N -1 1 424.497 4.221 20 0 HIADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000434299416 860262789 /nfs/dbraw/zinc/26/27/89/860262789.db2.gz KEOHSQWDZACHCR-QGZVFWFLSA-N -1 1 420.600 4.400 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)NC1CCC2(CC2)CC1 ZINC000434339613 860299991 /nfs/dbraw/zinc/29/99/91/860299991.db2.gz ZSFDNPPPFVXSJI-UHFFFAOYSA-N -1 1 413.543 4.009 20 0 HIADMM COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000434624299 860437036 /nfs/dbraw/zinc/43/70/36/860437036.db2.gz GMLFXQBFWIBIKZ-UHFFFAOYSA-N -1 1 404.271 4.118 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3C)cc2C[C@H]1C ZINC000467749726 881555106 /nfs/dbraw/zinc/55/51/06/881555106.db2.gz QQGJEBVOSIYCKA-GFCCVEGCSA-N -1 1 412.433 4.112 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000434979125 860583984 /nfs/dbraw/zinc/58/39/84/860583984.db2.gz ZAYIVMMMDDHBRS-NRFANRHFSA-N -1 1 424.570 4.056 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)ccc1Br ZINC000435226613 860699974 /nfs/dbraw/zinc/69/99/74/860699974.db2.gz PKQRPDZCXBDNLD-KOLCDFICSA-N -1 1 418.250 4.235 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCCO1)c1c(Cl)cc(F)cc1Cl ZINC000435430417 860797116 /nfs/dbraw/zinc/79/71/16/860797116.db2.gz BIBIWKGIVAPOFZ-HZPDHXFCSA-N -1 1 404.290 4.331 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435446577 860801203 /nfs/dbraw/zinc/80/12/03/860801203.db2.gz KPHWQVUHHMHDIB-NSHDSACASA-N -1 1 421.296 4.076 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)N(C)C)ccc2C)cc1Cl ZINC000435486536 860817036 /nfs/dbraw/zinc/81/70/36/860817036.db2.gz IINFCDSJEZMIQQ-UHFFFAOYSA-N -1 1 413.952 4.265 20 0 HIADMM C[C@@H]1[C@@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000435604057 860907472 /nfs/dbraw/zinc/90/74/72/860907472.db2.gz BXHGVDDFDRBGHN-PDIWNELESA-N -1 1 420.534 4.153 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)cnc2n1 ZINC000435745593 861026304 /nfs/dbraw/zinc/02/63/04/861026304.db2.gz OFEAMAYHBPRRDT-LLVKDONJSA-N -1 1 422.432 4.139 20 0 HIADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)c[n-]c2n1 ZINC000435745593 861026310 /nfs/dbraw/zinc/02/63/10/861026310.db2.gz OFEAMAYHBPRRDT-LLVKDONJSA-N -1 1 422.432 4.139 20 0 HIADMM O=C(CCc1ccco1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438052678 863418205 /nfs/dbraw/zinc/41/82/05/863418205.db2.gz SFBSRCVASRWZAQ-UHFFFAOYSA-N -1 1 422.865 4.444 20 0 HIADMM CC[C@@H](C)OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438059139 863428543 /nfs/dbraw/zinc/42/85/43/863428543.db2.gz DWPLBJVNFAWQIT-GFCCVEGCSA-N -1 1 414.886 4.034 20 0 HIADMM CC[C@H](C)OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438059140 863429242 /nfs/dbraw/zinc/42/92/42/863429242.db2.gz DWPLBJVNFAWQIT-LBPRGKRZSA-N -1 1 414.886 4.034 20 0 HIADMM CCSc1ccc(Cl)cc1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000438473567 863892046 /nfs/dbraw/zinc/89/20/46/863892046.db2.gz FBHGOXCADIWJGD-UHFFFAOYSA-N -1 1 414.936 4.084 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000467871293 881728874 /nfs/dbraw/zinc/72/88/74/881728874.db2.gz KZSPDINNSJRRPX-FXAWDEMLSA-N -1 1 416.525 4.280 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC2(CCCC2)C1 ZINC000438675460 864136962 /nfs/dbraw/zinc/13/69/62/864136962.db2.gz DNDCMYIODLKSRJ-UHFFFAOYSA-N -1 1 416.518 4.423 20 0 HIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)c2)o1 ZINC000438757367 864250330 /nfs/dbraw/zinc/25/03/30/864250330.db2.gz LBSIWRIQISTRAI-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000438758350 864252349 /nfs/dbraw/zinc/25/23/49/864252349.db2.gz ZKGXVLFIEHUWKG-AREMUKBSSA-N -1 1 422.597 4.273 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2c(F)cccc2Oc2ccccc2)c(F)c1 ZINC000438760562 864253671 /nfs/dbraw/zinc/25/36/71/864253671.db2.gz XGBGGDQJQCFNMA-UHFFFAOYSA-N -1 1 405.378 4.256 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1CN(C)C(=O)c1cccs1 ZINC000438762505 864257939 /nfs/dbraw/zinc/25/79/39/864257939.db2.gz GMBDGIURGHVECM-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1OCC ZINC000438768249 864262437 /nfs/dbraw/zinc/26/24/37/864262437.db2.gz YTONVLDPWSHXGS-UHFFFAOYSA-N -1 1 403.422 4.390 20 0 HIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(Br)c3)c2)n1 ZINC000438774086 864269436 /nfs/dbraw/zinc/26/94/36/864269436.db2.gz DAOJADRRPSOUEY-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000438775996 864271762 /nfs/dbraw/zinc/27/17/62/864271762.db2.gz RZDBSVMHXCVWKN-UHFFFAOYSA-N -1 1 417.556 4.377 20 0 HIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438803723 864294568 /nfs/dbraw/zinc/29/45/68/864294568.db2.gz FYUOSXAHLSYIIV-UHFFFAOYSA-N -1 1 423.101 4.460 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2F)c(Br)c1 ZINC000438810379 864301131 /nfs/dbraw/zinc/30/11/31/864301131.db2.gz NVRJIWOEHITVHW-UHFFFAOYSA-N -1 1 423.101 4.460 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)c2)n1 ZINC000438814011 864305818 /nfs/dbraw/zinc/30/58/18/864305818.db2.gz NMCJWMDIEPNXBL-UHFFFAOYSA-N -1 1 422.279 4.154 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1Br ZINC000438815085 864307646 /nfs/dbraw/zinc/30/76/46/864307646.db2.gz PLNBUPVKDQXTPK-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc1 ZINC000439018058 864469512 /nfs/dbraw/zinc/46/95/12/864469512.db2.gz ASYLWCZQQHOQFO-HNNXBMFYSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1ccc2nc[nH]c2c1)c1cc(Br)c([O-])c(Br)c1 ZINC000439051296 864501481 /nfs/dbraw/zinc/50/14/81/864501481.db2.gz CHJQCXPECUOMGN-UHFFFAOYSA-N -1 1 411.053 4.046 20 0 HIADMM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000439059152 864508643 /nfs/dbraw/zinc/50/86/43/864508643.db2.gz UFHKPBPDUSUKAO-UHFFFAOYSA-N -1 1 400.953 4.202 20 0 HIADMM Cc1ccn(C)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000439247479 864664846 /nfs/dbraw/zinc/66/48/46/864664846.db2.gz FYXYMXYTFFMBOW-UHFFFAOYSA-N -1 1 403.891 4.040 20 0 HIADMM O=c1nc(CN2CCC([C@@H]3CCCO3)CC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000439298466 864724157 /nfs/dbraw/zinc/72/41/57/864724157.db2.gz OAJCMJLVGULFCC-SFHVURJKSA-N -1 1 413.518 4.182 20 0 HIADMM O=C(CCc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1)N1CCCC1 ZINC000439573215 864894555 /nfs/dbraw/zinc/89/45/55/864894555.db2.gz SEUFAGLNQLXGNJ-UHFFFAOYSA-N -1 1 408.523 4.196 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000439692405 865029569 /nfs/dbraw/zinc/02/95/69/865029569.db2.gz PRTDZVJGJUKIIE-OAQYLSRUSA-N -1 1 420.557 4.246 20 0 HIADMM Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000439702994 865039314 /nfs/dbraw/zinc/03/93/14/865039314.db2.gz GSVBUYVRJKINCG-OAHLLOKOSA-N -1 1 415.371 4.233 20 0 HIADMM C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])Cc1cccs1 ZINC000439988250 865297254 /nfs/dbraw/zinc/29/72/54/865297254.db2.gz IPDSCUSTKWURRZ-HRAATJIYSA-N -1 1 422.550 4.207 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCCS2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000440364898 865645120 /nfs/dbraw/zinc/64/51/20/865645120.db2.gz GLHDVVQIOJTLOM-MRXNPFEDSA-N -1 1 410.948 4.283 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)c1nc(C2CC2)no1 ZINC000440382048 865672291 /nfs/dbraw/zinc/67/22/91/865672291.db2.gz RRWNJWVUZUYVNB-INIZCTEOSA-N -1 1 405.907 4.429 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@H](C)CC[C@H]1C ZINC000440401875 865692841 /nfs/dbraw/zinc/69/28/41/865692841.db2.gz GCKAHHFYQFMGQW-GDBMZVCRSA-N -1 1 404.507 4.196 20 0 HIADMM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000440413502 865710021 /nfs/dbraw/zinc/71/00/21/865710021.db2.gz XHMOCGVQCTYMDY-GJZGRUSLSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CC[C@H]3C)cc2)cc1C ZINC000440414374 865710308 /nfs/dbraw/zinc/71/03/08/865710308.db2.gz OMUHLZJLMWXJAX-CRAIPNDOSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)CC[C@H]3C)c2)c1 ZINC000440415895 865713711 /nfs/dbraw/zinc/71/37/11/865713711.db2.gz NIWAPKAWURDUEB-FUHWJXTLSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCC(F)(F)F)cc2)c1C ZINC000440527954 865805293 /nfs/dbraw/zinc/80/52/93/865805293.db2.gz AECZXKSWNTVXCH-UHFFFAOYSA-N -1 1 414.449 4.177 20 0 HIADMM COc1cccc([C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc2Cl)c1 ZINC000440592861 865828174 /nfs/dbraw/zinc/82/81/74/865828174.db2.gz XVRFTGKUPXMBBR-HXUWFJFHSA-N -1 1 419.868 4.105 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000440701058 865869050 /nfs/dbraw/zinc/86/90/50/865869050.db2.gz IOXFPFOYOZXZMD-HNNXBMFYSA-N -1 1 424.563 4.196 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccccc3Nc3ccccc3)cc21 ZINC000440824881 865941022 /nfs/dbraw/zinc/94/10/22/865941022.db2.gz JCFPADMIXGXRPK-UHFFFAOYSA-N -1 1 407.495 4.140 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3OCCc4ccccc43)n2)cc(Br)c1[O-] ZINC000441307126 866378876 /nfs/dbraw/zinc/37/88/76/866378876.db2.gz DLNSVLALKOOOMK-QGZVFWFLSA-N -1 1 417.259 4.266 20 0 HIADMM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000468142550 881998517 /nfs/dbraw/zinc/99/85/17/881998517.db2.gz VYOQCWYDXHSYEL-MRXNPFEDSA-N -1 1 421.545 4.310 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc3c(cc2Br)CCC3)c(=O)[n-]1 ZINC000468154319 882016280 /nfs/dbraw/zinc/01/62/80/882016280.db2.gz OCABMMLBSULNML-UHFFFAOYSA-N -1 1 422.348 4.035 20 0 HIADMM CCc1ncsc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000441813993 866875469 /nfs/dbraw/zinc/87/54/69/866875469.db2.gz NWRPKSBLBBKSKY-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)cc2)cc1 ZINC000442313767 867320495 /nfs/dbraw/zinc/32/04/95/867320495.db2.gz GEKWIXPRQGMRMO-UHFFFAOYSA-N -1 1 410.495 4.290 20 0 HIADMM COc1ccc2occ(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)c2c1 ZINC000442407751 867384651 /nfs/dbraw/zinc/38/46/51/867384651.db2.gz HFDZEECFNNFTDX-UHFFFAOYSA-N -1 1 422.462 4.495 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc(Cl)c1[O-] ZINC000442741692 867659881 /nfs/dbraw/zinc/65/98/81/867659881.db2.gz VVJZXHBPADZWOJ-CYBMUJFWSA-N -1 1 402.878 4.321 20 0 HIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442826263 867688256 /nfs/dbraw/zinc/68/82/56/867688256.db2.gz MRLFRKVUBBFHEB-UHFFFAOYSA-N -1 1 421.828 4.293 20 0 HIADMM CC(C)(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000442855831 867701163 /nfs/dbraw/zinc/70/11/63/867701163.db2.gz YDJBRCCGXXALIM-UHFFFAOYSA-N -1 1 422.355 4.366 20 0 HIADMM COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)cc(Cl)c1[O-] ZINC000442951107 867761689 /nfs/dbraw/zinc/76/16/89/867761689.db2.gz NNIJTRDMJDPCSI-UHFFFAOYSA-N -1 1 402.756 4.284 20 0 HIADMM CCOCCCn1c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)nc2ccccc21 ZINC000442960279 867765383 /nfs/dbraw/zinc/76/53/83/867765383.db2.gz HDMNUSXBVLMTRR-UHFFFAOYSA-N -1 1 403.866 4.083 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000442965342 867767832 /nfs/dbraw/zinc/76/78/32/867767832.db2.gz MBDBFAASZCZKCE-NRFANRHFSA-N -1 1 416.525 4.315 20 0 HIADMM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442969509 867769518 /nfs/dbraw/zinc/76/95/18/867769518.db2.gz SPEQWTPIWXVHQH-UHFFFAOYSA-N -1 1 402.249 4.136 20 0 HIADMM COC(=O)CCSCc1cccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000442970017 867771650 /nfs/dbraw/zinc/77/16/50/867771650.db2.gz UCTUURVSSBGISX-UHFFFAOYSA-N -1 1 409.891 4.103 20 0 HIADMM CCCOc1ccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c(OC(F)F)c1 ZINC000443055055 867803955 /nfs/dbraw/zinc/80/39/55/867803955.db2.gz DOUPPTGABWGNKO-UHFFFAOYSA-N -1 1 415.820 4.374 20 0 HIADMM COc1cc(C(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc(Cl)c1[O-] ZINC000443056726 867805298 /nfs/dbraw/zinc/80/52/98/867805298.db2.gz ZMPRXOWJCMSISV-SZNDQCEHSA-N -1 1 419.905 4.109 20 0 HIADMM COc1cc(C(=O)Nc2cc(I)ccc2C)cc(Cl)c1[O-] ZINC000443110709 867823013 /nfs/dbraw/zinc/82/30/13/867823013.db2.gz BTNJSQHIBPOMGR-UHFFFAOYSA-N -1 1 417.630 4.220 20 0 HIADMM COCCCOc1cc(C)ccc1-c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443192227 867869312 /nfs/dbraw/zinc/86/93/12/867869312.db2.gz BWYCGFOTRHHMBZ-UHFFFAOYSA-N -1 1 404.850 4.495 20 0 HIADMM CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443197651 867871205 /nfs/dbraw/zinc/87/12/05/867871205.db2.gz AVPZTGIGVLOADH-HNNXBMFYSA-N -1 1 401.850 4.375 20 0 HIADMM CCOc1cc(-c2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)no2)cc(Cl)c1[O-] ZINC000443207317 867875107 /nfs/dbraw/zinc/87/51/07/867875107.db2.gz IJUCRJQEGYXDKZ-HNNXBMFYSA-N -1 1 413.861 4.010 20 0 HIADMM COc1cc(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000443212408 867878308 /nfs/dbraw/zinc/87/83/08/867878308.db2.gz DPERBJUZRGRJCA-LBPRGKRZSA-N -1 1 414.811 4.082 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000443389527 867948923 /nfs/dbraw/zinc/94/89/23/867948923.db2.gz RVARUYANPICTLA-OAHLLOKOSA-N -1 1 402.454 4.109 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000443412612 867997486 /nfs/dbraw/zinc/99/74/86/867997486.db2.gz CCRVDNWZLXOOQP-UHFFFAOYSA-N -1 1 401.740 4.360 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000443417702 868003023 /nfs/dbraw/zinc/00/30/23/868003023.db2.gz QMGXCQAEBKLRCB-UHFFFAOYSA-N -1 1 409.813 4.228 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC000443420167 868004013 /nfs/dbraw/zinc/00/40/13/868004013.db2.gz SNOXURLYBFCOEO-UHFFFAOYSA-N -1 1 405.369 4.160 20 0 HIADMM O=C([O-])CCCOc1ccc(S(=O)(=O)Nc2cccc3ccsc32)cc1F ZINC000443460121 868048838 /nfs/dbraw/zinc/04/88/38/868048838.db2.gz JOMVMHYFULCCSG-UHFFFAOYSA-N -1 1 409.460 4.085 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(C)cc1O[C@@H](C)CC(C)C ZINC000468250612 882153924 /nfs/dbraw/zinc/15/39/24/882153924.db2.gz FASFWHFATFZOJO-AWEZNQCLSA-N -1 1 403.548 4.264 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)o1 ZINC000443863927 868396191 /nfs/dbraw/zinc/39/61/91/868396191.db2.gz BTUBBNLMHUUEDD-HNNXBMFYSA-N -1 1 404.532 4.147 20 0 HIADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000444053754 868594094 /nfs/dbraw/zinc/59/40/94/868594094.db2.gz WEWGEYSIKOUVMX-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444087750 868610102 /nfs/dbraw/zinc/61/01/02/868610102.db2.gz HYCOOULCJTYUFN-VIFPVBQESA-N -1 1 424.147 4.060 20 0 HIADMM Cc1nn(CC(=O)Nc2cc(C)cc(Br)c2[O-])cc1-c1ccccc1 ZINC000444342904 868774052 /nfs/dbraw/zinc/77/40/52/868774052.db2.gz NHCMDGUIBNRBOK-UHFFFAOYSA-N -1 1 400.276 4.274 20 0 HIADMM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC000444355440 868782707 /nfs/dbraw/zinc/78/27/07/868782707.db2.gz ZNXJSQCYQBVBFW-INIZCTEOSA-N -1 1 424.497 4.063 20 0 HIADMM CC(C)(C)c1cnc(CCC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)o1 ZINC000444373733 868797566 /nfs/dbraw/zinc/79/75/66/868797566.db2.gz LNXXXGLQIIXENB-UHFFFAOYSA-N -1 1 413.518 4.312 20 0 HIADMM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CCO1 ZINC000444375916 868800234 /nfs/dbraw/zinc/80/02/34/868800234.db2.gz QXGWHYCRTHSRLV-IERDGZPVSA-N -1 1 402.535 4.235 20 0 HIADMM Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444390952 868805358 /nfs/dbraw/zinc/80/53/58/868805358.db2.gz IIINZTWFKYJUEM-UHFFFAOYSA-N -1 1 420.469 4.065 20 0 HIADMM COc1cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])ccc1F ZINC000444467648 868840770 /nfs/dbraw/zinc/84/07/70/868840770.db2.gz OSAPUMONXYVIJO-UHFFFAOYSA-N -1 1 416.355 4.323 20 0 HIADMM CC(C)N(CC1CCC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000444528258 868869416 /nfs/dbraw/zinc/86/94/16/868869416.db2.gz VRLREBLWXQVDDY-UHFFFAOYSA-N -1 1 422.497 4.416 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCCC12CCC2 ZINC000444606166 868902179 /nfs/dbraw/zinc/90/21/79/868902179.db2.gz FTQUSWLNBNJZAX-UHFFFAOYSA-N -1 1 422.909 4.439 20 0 HIADMM COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000444655030 868933395 /nfs/dbraw/zinc/93/33/95/868933395.db2.gz ZEBCARUYTUGKAL-UHFFFAOYSA-N -1 1 407.470 4.419 20 0 HIADMM COc1cc(NC(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)ccc1[N-]S(C)(=O)=O ZINC000444855368 869057945 /nfs/dbraw/zinc/05/79/45/869057945.db2.gz GCMQDRAWXGGYFG-CABCVRRESA-N -1 1 411.568 4.183 20 0 HIADMM COc1ccc(NC(=O)NC(C)(C)CC2CCCCCC2)cc1[N-]S(C)(=O)=O ZINC000444863682 869064253 /nfs/dbraw/zinc/06/42/53/869064253.db2.gz WPVSIINHUNSKNR-UHFFFAOYSA-N -1 1 411.568 4.327 20 0 HIADMM COCc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])cnn1-c1ccccc1 ZINC000468362948 882303186 /nfs/dbraw/zinc/30/31/86/882303186.db2.gz ZHAHRQCUVWLGJU-UHFFFAOYSA-N -1 1 416.275 4.048 20 0 HIADMM COc1cc(-c2noc(COc3ccc(C)cc3OC)n2)cc(Br)c1[O-] ZINC000445390350 869476135 /nfs/dbraw/zinc/47/61/35/869476135.db2.gz HHSVWTHBRRZREN-UHFFFAOYSA-N -1 1 421.247 4.109 20 0 HIADMM COc1cc(-c2noc(-c3cc(-c4ccco4)on3)n2)cc(Br)c1[O-] ZINC000445396438 869481138 /nfs/dbraw/zinc/48/11/38/869481138.db2.gz YVWXBSLTRWGZAI-UHFFFAOYSA-N -1 1 404.176 4.128 20 0 HIADMM COc1cc(-c2noc(C[C@H]3OCCc4ccccc43)n2)cc(Br)c1[O-] ZINC000445398528 869484058 /nfs/dbraw/zinc/48/40/58/869484058.db2.gz VWWVPJRXBFNMBX-OAHLLOKOSA-N -1 1 417.259 4.070 20 0 HIADMM COc1cc(-c2noc(-c3cc(-c4ccc(C)o4)[nH]n3)n2)cc(Br)c1[O-] ZINC000445406540 869490756 /nfs/dbraw/zinc/49/07/56/869490756.db2.gz XSASLKNMEQOBGW-UHFFFAOYSA-N -1 1 417.219 4.172 20 0 HIADMM CCOc1cc(-c2noc(-c3cnc(-c4ncccn4)s3)n2)cc(Cl)c1[O-] ZINC000445411899 869494689 /nfs/dbraw/zinc/49/46/89/869494689.db2.gz LFZQLASTROVEMQ-UHFFFAOYSA-N -1 1 401.835 4.075 20 0 HIADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)[nH]n1 ZINC000468365720 882306795 /nfs/dbraw/zinc/30/67/95/882306795.db2.gz YQHCUNKWDVXGRX-QWHCGFSZSA-N -1 1 415.943 4.181 20 0 HIADMM CCOc1cc(-c2noc(-c3nnn(-c4cccc(C)c4)c3C)n2)cc(Cl)c1[O-] ZINC000445422316 869506517 /nfs/dbraw/zinc/50/65/17/869506517.db2.gz MHSZEBBVATZDAK-UHFFFAOYSA-N -1 1 411.849 4.359 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(-c3ccc(O)cc3F)no2)cc1 ZINC000445460924 869537362 /nfs/dbraw/zinc/53/73/62/869537362.db2.gz UNNBTCPJYDYQPI-UHFFFAOYSA-N -1 1 411.414 4.049 20 0 HIADMM O=S(=O)(Cc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1)c1ccccc1 ZINC000445466171 869540553 /nfs/dbraw/zinc/54/05/53/869540553.db2.gz ZHYPCNHCCJHXRQ-UHFFFAOYSA-N -1 1 410.426 4.222 20 0 HIADMM CCn1c(SCc2nc(-c3ccc([O-])cc3F)no2)nnc1-c1ccccc1C ZINC000445465547 869540912 /nfs/dbraw/zinc/54/09/12/869540912.db2.gz ZGLCKEPZKKMDPI-UHFFFAOYSA-N -1 1 411.462 4.460 20 0 HIADMM COc1ccc(-c2nc(Cc3nc(-c4ccc([O-])c(F)c4)no3)cs2)cc1OC ZINC000445468508 869543173 /nfs/dbraw/zinc/54/31/73/869543173.db2.gz DVRVGQHMPFXMBQ-UHFFFAOYSA-N -1 1 413.430 4.313 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc([C@H]4CCCOC4)no3)cc2)c1C ZINC000445530502 869586689 /nfs/dbraw/zinc/58/66/89/869586689.db2.gz ABPNEEJEIDXRJM-KRWDZBQOSA-N -1 1 413.499 4.048 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(-c3ccc4cc[nH]c4n3)no2)cc1 ZINC000445573784 869633917 /nfs/dbraw/zinc/63/39/17/869633917.db2.gz IJNAXVXKDJRAPG-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4cncs4)no3)cc2)c1C ZINC000445605129 869669074 /nfs/dbraw/zinc/66/90/74/869669074.db2.gz PAKXTZHINRHLBW-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM COc1cc(F)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1F ZINC000468382530 882327478 /nfs/dbraw/zinc/32/74/78/882327478.db2.gz JESDEKAWJIYEHN-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CC(C)(C)n1cc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)cn1 ZINC000445651042 869721900 /nfs/dbraw/zinc/72/19/00/869721900.db2.gz YRVAJWCSCZHTLK-UHFFFAOYSA-N -1 1 423.498 4.156 20 0 HIADMM CCOc1cc(-c2nc(CC(=O)N(CC)c3ccccc3)no2)cc(Cl)c1[O-] ZINC000445670605 869739893 /nfs/dbraw/zinc/73/98/93/869739893.db2.gz TVNMIJPPGADRFK-UHFFFAOYSA-N -1 1 401.850 4.090 20 0 HIADMM C[C@@H](CN(C)C(=O)c1c(F)cccc1Sc1ccc(Cl)cc1)c1nn[n-]n1 ZINC000446415476 870323947 /nfs/dbraw/zinc/32/39/47/870323947.db2.gz DNKVPRHVRVKCBA-NSHDSACASA-N -1 1 405.886 4.019 20 0 HIADMM Cc1cc(-c2ncccc2NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cs1 ZINC000446612339 870514952 /nfs/dbraw/zinc/51/49/52/870514952.db2.gz RBDKWQKAWJMPAD-UHFFFAOYSA-N -1 1 419.528 4.041 20 0 HIADMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2cnco2)c1 ZINC000446622968 870525798 /nfs/dbraw/zinc/52/57/98/870525798.db2.gz GSNTYYIFRDBPGF-UHFFFAOYSA-N -1 1 406.485 4.200 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)c(=O)[n-]1 ZINC000446637135 870543835 /nfs/dbraw/zinc/54/38/35/870543835.db2.gz IOAMGGJAJFNWRK-FQEVSTJZSA-N -1 1 411.502 4.190 20 0 HIADMM C[C@@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000446892206 870811295 /nfs/dbraw/zinc/81/12/95/870811295.db2.gz IXWMDJKIGRQYBB-PXAZEXFGSA-N -1 1 401.388 4.165 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(COC)cc2)ccc1Cl)C(C)C ZINC000447261169 871141297 /nfs/dbraw/zinc/14/12/97/871141297.db2.gz SZUDRYNTSOTQBS-UHFFFAOYSA-N -1 1 424.950 4.158 20 0 HIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(Cc2ccc(F)cc2)no1 ZINC000447346935 871248344 /nfs/dbraw/zinc/24/83/44/871248344.db2.gz HZLSGTVXUOIPHM-MRVPVSSYSA-N -1 1 400.357 4.167 20 0 HIADMM Cc1ccc(F)c(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000447635964 871550246 /nfs/dbraw/zinc/55/02/46/871550246.db2.gz HNFYZPBOLUDGHK-JOCHJYFZSA-N -1 1 420.484 4.256 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](c3ccccc3)[C@H](C)CC)c2)n1 ZINC000447667859 871596694 /nfs/dbraw/zinc/59/66/94/871596694.db2.gz AOBDUTFLCDCCAZ-OXQOHEQNSA-N -1 1 420.513 4.095 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CCC(C)(C)c3ccccc3)c2)n1 ZINC000447682555 871613147 /nfs/dbraw/zinc/61/31/47/871613147.db2.gz ZVHRVKYBDBPMCS-UHFFFAOYSA-N -1 1 420.513 4.023 20 0 HIADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000447730578 871678231 /nfs/dbraw/zinc/67/82/31/871678231.db2.gz RRVUFOWABCCSJM-UHFFFAOYSA-N -1 1 400.704 4.101 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447780396 871711187 /nfs/dbraw/zinc/71/11/87/871711187.db2.gz XQFSUFWPSALRMF-UHFFFAOYSA-N -1 1 400.403 4.351 20 0 HIADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1Cl ZINC000447792663 871726830 /nfs/dbraw/zinc/72/68/30/871726830.db2.gz YBOVXLUJSQXSQL-UHFFFAOYSA-N -1 1 424.803 4.001 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)c1nc(C2CCCCC2)no1 ZINC000447876489 871796518 /nfs/dbraw/zinc/79/65/18/871796518.db2.gz DQGBWAWSJPIXJE-SNVBAGLBSA-N -1 1 421.416 4.315 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000448038043 871870899 /nfs/dbraw/zinc/87/08/99/871870899.db2.gz HXKBJGKMUCVGKV-UHFFFAOYSA-N -1 1 408.479 4.332 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(C2(c3ccccc3)CCC2)no1 ZINC000460139853 872636522 /nfs/dbraw/zinc/63/65/22/872636522.db2.gz RZLNNBQYQRJDMG-UHFFFAOYSA-N -1 1 413.481 4.191 20 0 HIADMM COc1cc(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc(Cl)c1[O-] ZINC000460192349 872761621 /nfs/dbraw/zinc/76/16/21/872761621.db2.gz KSRVEUDIOZUZRV-UHFFFAOYSA-N -1 1 402.809 4.311 20 0 HIADMM CC1(CNC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCCCC1 ZINC000460347184 872966415 /nfs/dbraw/zinc/96/64/15/872966415.db2.gz MVJAAKGMSGFJCC-UHFFFAOYSA-N -1 1 415.559 4.257 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)cc(C)c1F ZINC000460420302 873077913 /nfs/dbraw/zinc/07/79/13/873077913.db2.gz MSUNYAJTHFROTB-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c(=O)[n-]1 ZINC000460555049 873270357 /nfs/dbraw/zinc/27/03/57/873270357.db2.gz PHIIVHULUZDHCN-XNAIMREJSA-N -1 1 405.951 4.312 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Oc3cc(C)ccn3)c2)cc1F ZINC000460829239 873714457 /nfs/dbraw/zinc/71/44/57/873714457.db2.gz DPWVCBKVVBKMTP-UHFFFAOYSA-N -1 1 402.447 4.439 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccc3C)c2)cc1 ZINC000460828068 873714680 /nfs/dbraw/zinc/71/46/80/873714680.db2.gz IYMGIZDTYFFREX-UHFFFAOYSA-N -1 1 424.522 4.358 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3ccn(CC(=O)N(C)C)c3c2)cc1 ZINC000460831355 873719651 /nfs/dbraw/zinc/71/96/51/873719651.db2.gz LECHMJRNBNDCJL-MRXNPFEDSA-N -1 1 413.543 4.044 20 0 HIADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OC(F)F ZINC000460839973 873729290 /nfs/dbraw/zinc/72/92/90/873729290.db2.gz YUUBXXWZDRYFIC-UHFFFAOYSA-N -1 1 403.378 4.050 20 0 HIADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(CSC(C)C)c3C)cc12 ZINC000460842952 873734023 /nfs/dbraw/zinc/73/40/23/873734023.db2.gz PAGZXEDPNTZFSW-UHFFFAOYSA-N -1 1 404.561 4.028 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000460842633 873734049 /nfs/dbraw/zinc/73/40/49/873734049.db2.gz ZXQIARGFGMWXOJ-UHFFFAOYSA-N -1 1 411.520 4.040 20 0 HIADMM Cc1ccc(C(=O)N[C@H](C)CC(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000468640175 882775249 /nfs/dbraw/zinc/77/52/49/882775249.db2.gz VLEDHZWYGCKUCD-GFCCVEGCSA-N -1 1 418.412 4.006 20 0 HIADMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000461136795 874075291 /nfs/dbraw/zinc/07/52/91/874075291.db2.gz YSODFGPIPLUVOY-UHFFFAOYSA-N -1 1 414.980 4.216 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(C(C)C)CC3)cc2)cc1 ZINC000461425142 874458896 /nfs/dbraw/zinc/45/88/96/874458896.db2.gz MMVVGECDYORLPT-UHFFFAOYSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000461435701 874487120 /nfs/dbraw/zinc/48/71/20/874487120.db2.gz KDCMREMLKWWOBB-LTBCBRHQSA-N -1 1 422.916 4.262 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000461442992 874498803 /nfs/dbraw/zinc/49/88/03/874498803.db2.gz JMRAHNKJZCBMKX-RZVZBCHOSA-N -1 1 412.921 4.151 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C4CC4)ccn3)c2)cc1 ZINC000461447849 874506507 /nfs/dbraw/zinc/50/65/07/874506507.db2.gz SJRHUEOMEWAXKR-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)c1nc(C)cs1 ZINC000461556819 874648048 /nfs/dbraw/zinc/64/80/48/874648048.db2.gz LMKASNKVLXUAOO-UHFFFAOYSA-N -1 1 415.540 4.227 20 0 HIADMM Cc1nc(-c2ccc(N(C)CCc3cccc(Br)c3)nc2)[n-]c(=O)c1C ZINC000462094341 875204570 /nfs/dbraw/zinc/20/45/70/875204570.db2.gz QULDDXIWDOHYBE-UHFFFAOYSA-N -1 1 413.319 4.302 20 0 HIADMM COc1ccc([O-])c(C(=O)c2cnn(-c3nc4cc(C(F)(F)F)ccc4s3)c2)c1 ZINC000462346814 875460820 /nfs/dbraw/zinc/46/08/20/875460820.db2.gz OWZRIKKTXJIYLH-UHFFFAOYSA-N -1 1 419.384 4.446 20 0 HIADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1c(C)cc(Cl)c2ccccc21 ZINC000462359338 875473428 /nfs/dbraw/zinc/47/34/28/875473428.db2.gz IXAHPCZKIOAZDT-UHFFFAOYSA-N -1 1 419.886 4.238 20 0 HIADMM Cc1csc([C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C2CC2)n1 ZINC000462415212 875522767 /nfs/dbraw/zinc/52/27/67/875522767.db2.gz GIBZFSROMBPTLO-NSHDSACASA-N -1 1 407.380 4.014 20 0 HIADMM CCc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)cc1 ZINC000462481595 875591152 /nfs/dbraw/zinc/59/11/52/875591152.db2.gz SNCYLJGILPFNSH-JTQLQIEISA-N -1 1 416.877 4.179 20 0 HIADMM O=C(Nc1cc2c(cn1)CCCC2)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000462780932 875835925 /nfs/dbraw/zinc/83/59/25/875835925.db2.gz WYGITLXBIDGXPF-UHFFFAOYSA-N -1 1 407.495 4.014 20 0 HIADMM COc1cc([C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc(OC)c1OC ZINC000462793555 875844227 /nfs/dbraw/zinc/84/42/27/875844227.db2.gz QXRNMIWBPQGZJY-CQSZACIVSA-N -1 1 410.474 4.060 20 0 HIADMM O=C(NCc1ccc(C(F)F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000462910339 875935384 /nfs/dbraw/zinc/93/53/84/875935384.db2.gz HBMILKJJORNQNG-UHFFFAOYSA-N -1 1 416.449 4.355 20 0 HIADMM CCN(CC(C)(C)C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000463015600 876032583 /nfs/dbraw/zinc/03/25/83/876032583.db2.gz VYQFSJYEIFTWAG-UHFFFAOYSA-N -1 1 410.486 4.274 20 0 HIADMM CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000468939882 883005203 /nfs/dbraw/zinc/00/52/03/883005203.db2.gz LCDFDBSNLSEMOZ-UHFFFAOYSA-N -1 1 415.437 4.287 20 0 HIADMM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)C2 ZINC000463358387 876411616 /nfs/dbraw/zinc/41/16/16/876411616.db2.gz CXNNOGXYCXNNJL-JOCHJYFZSA-N -1 1 422.506 4.046 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1SCCc2ccccc21 ZINC000463361214 876414673 /nfs/dbraw/zinc/41/46/73/876414673.db2.gz LAEUAPGTCOJCBT-NRFANRHFSA-N -1 1 424.547 4.457 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])c(Cl)c1 ZINC000463367135 876421726 /nfs/dbraw/zinc/42/17/26/876421726.db2.gz KYBVAYBCXQHBRE-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)cc1Cl ZINC000463508856 876571494 /nfs/dbraw/zinc/57/14/94/876571494.db2.gz IMYUZFREEALFJB-UHFFFAOYSA-N -1 1 419.355 4.218 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2)cc1Cl ZINC000463513023 876576882 /nfs/dbraw/zinc/57/68/82/876576882.db2.gz HNSYXSPHOSXYMK-UHFFFAOYSA-N -1 1 412.964 4.249 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1c(F)cccc1Cl ZINC000463779281 876899473 /nfs/dbraw/zinc/89/94/73/876899473.db2.gz SAZBAEZMVTXTRC-UHFFFAOYSA-N -1 1 402.838 4.218 20 0 HIADMM CC[C@H](C)C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000463889532 877010493 /nfs/dbraw/zinc/01/04/93/877010493.db2.gz BCTSTHXIPYFQST-UONOGXRCSA-N -1 1 410.486 4.320 20 0 HIADMM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000463916346 877037068 /nfs/dbraw/zinc/03/70/68/877037068.db2.gz SAMYAZDTMWDMEK-HOTGVXAUSA-N -1 1 404.532 4.051 20 0 HIADMM CC(C)(C)c1cnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000464103979 877260750 /nfs/dbraw/zinc/26/07/50/877260750.db2.gz JJABGXFGMHIFCE-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CC(F)(F)F)cc2)c1C ZINC000464261029 877440955 /nfs/dbraw/zinc/44/09/55/877440955.db2.gz AEGTYPMFGMWBNT-ZDUSSCGKSA-N -1 1 414.449 4.175 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)CC(F)(F)F)c2)c1 ZINC000464261650 877441903 /nfs/dbraw/zinc/44/19/03/877441903.db2.gz CFBRNYGGJFFTHS-AWEZNQCLSA-N -1 1 414.449 4.175 20 0 HIADMM C[C@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000464262357 877443027 /nfs/dbraw/zinc/44/30/27/877443027.db2.gz BYHDNKZKBJEATA-LLVKDONJSA-N -1 1 420.840 4.212 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)CC(F)(F)F)cc2)cc1C ZINC000464267038 877449616 /nfs/dbraw/zinc/44/96/16/877449616.db2.gz JKUDZXCFAXABDN-CQSZACIVSA-N -1 1 414.449 4.175 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000464584297 877809211 /nfs/dbraw/zinc/80/92/11/877809211.db2.gz XUOVMDPGHVLOAP-NRFANRHFSA-N -1 1 404.507 4.279 20 0 HIADMM CCN(CC)c1nc2sc(C(=O)[N-]c3nc4cc(Cl)ccn4n3)cc2s1 ZINC000464648407 877868759 /nfs/dbraw/zinc/86/87/59/877868759.db2.gz QPPJVASBTREILB-UHFFFAOYSA-N -1 1 406.924 4.152 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000464700621 877918209 /nfs/dbraw/zinc/91/82/09/877918209.db2.gz DKICGCZKCDOTHE-MRXNPFEDSA-N -1 1 406.573 4.057 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000464835346 878096111 /nfs/dbraw/zinc/09/61/11/878096111.db2.gz HYTQFFMXCBXHPX-UHFFFAOYSA-N -1 1 401.406 4.077 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1 ZINC000464842994 878114439 /nfs/dbraw/zinc/11/44/39/878114439.db2.gz OGLJQSHSZJLVRS-UHFFFAOYSA-N -1 1 400.422 4.331 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1O ZINC000503343984 912322189 /nfs/dbraw/zinc/32/21/89/912322189.db2.gz PMFKIIXXQRCSHQ-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc2cnccc21 ZINC000465054631 878416453 /nfs/dbraw/zinc/41/64/53/878416453.db2.gz BRBDEVXDQMEPMI-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CCC(C)(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000465057492 878419454 /nfs/dbraw/zinc/41/94/54/878419454.db2.gz HCJDUXRAXMGDOH-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000465085536 878448498 /nfs/dbraw/zinc/44/84/98/878448498.db2.gz SBDSOLZEWAWALG-HZPDHXFCSA-N -1 1 404.919 4.013 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3C)c2)cc1 ZINC000465274488 878707730 /nfs/dbraw/zinc/70/77/30/878707730.db2.gz WFGYXAXRAMJYFW-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000465293252 878732037 /nfs/dbraw/zinc/73/20/37/878732037.db2.gz FPXHJTJWFYAVKP-RDTXWAMCSA-N -1 1 406.935 4.401 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000465295444 878736943 /nfs/dbraw/zinc/73/69/43/878736943.db2.gz NEOVFGIHXNCIAZ-CZUORRHYSA-N -1 1 408.470 4.026 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000465298677 878741764 /nfs/dbraw/zinc/74/17/64/878741764.db2.gz WWWDJMXULYIEGL-QRWLVFNGSA-N -1 1 400.544 4.365 20 0 HIADMM C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000465846303 879486736 /nfs/dbraw/zinc/48/67/36/879486736.db2.gz WJPVZWHTSVPUQL-ZWKOTPCHSA-N -1 1 415.559 4.208 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2C(C)C)cc1OCC ZINC000466468865 880250978 /nfs/dbraw/zinc/25/09/78/880250978.db2.gz LWNGLMJRCGGWOA-UHFFFAOYSA-N -1 1 421.515 4.195 20 0 HIADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000466471172 880254344 /nfs/dbraw/zinc/25/43/44/880254344.db2.gz RHAVSEQJJQEQQY-UHFFFAOYSA-N -1 1 413.442 4.041 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1nc(C(F)(F)F)cs1 ZINC000466855281 880624186 /nfs/dbraw/zinc/62/41/86/880624186.db2.gz LJBACPIKVWYDAE-ZETCQYMHSA-N -1 1 404.357 4.009 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1nc(C(F)(F)F)cs1 ZINC000466855280 880624418 /nfs/dbraw/zinc/62/44/18/880624418.db2.gz LJBACPIKVWYDAE-SSDOTTSWSA-N -1 1 404.357 4.009 20 0 HIADMM CC(C)n1cnc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000466932986 880700827 /nfs/dbraw/zinc/70/08/27/880700827.db2.gz NLYVXDWSQSERJX-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM O=C(CCCC1CCOCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000467065525 880848637 /nfs/dbraw/zinc/84/86/37/880848637.db2.gz ZJPPXAUMDNIROA-UHFFFAOYSA-N -1 1 402.516 4.023 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)ccc1C ZINC000467074834 880851286 /nfs/dbraw/zinc/85/12/86/880851286.db2.gz WMJZUFFIPGVEGP-UHFFFAOYSA-N -1 1 417.512 4.091 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)c1 ZINC000467078596 880853032 /nfs/dbraw/zinc/85/30/32/880853032.db2.gz JGPVTAGJQCAXMZ-UHFFFAOYSA-N -1 1 405.479 4.244 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000467082246 880853765 /nfs/dbraw/zinc/85/37/65/880853765.db2.gz BVIKRDSPIOJYSJ-UHFFFAOYSA-N -1 1 400.544 4.297 20 0 HIADMM CCCC[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(=O)Nc1cc(C)on1 ZINC000467201425 880931018 /nfs/dbraw/zinc/93/10/18/880931018.db2.gz MRPRRSFGYHVZDG-INIZCTEOSA-N -1 1 412.515 4.744 20 0 HIADMM CCC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC000467273255 881014329 /nfs/dbraw/zinc/01/43/29/881014329.db2.gz NTMZXGFXYMQYEO-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@H]1CN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC[C@@H]1c1ccccc1 ZINC000470193146 884496882 /nfs/dbraw/zinc/49/68/82/884496882.db2.gz IRXGGRPUARXIGT-RXVVDRJESA-N -1 1 406.530 4.027 20 0 HIADMM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(-c4cc5ccccc5o4)s3)nn2)c1 ZINC000470367144 884762394 /nfs/dbraw/zinc/76/23/94/884762394.db2.gz LRMAOXQYSJKDAY-UHFFFAOYSA-N -1 1 402.439 4.093 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc1Br ZINC000470441241 884838896 /nfs/dbraw/zinc/83/88/96/884838896.db2.gz UYMBEGZUATUUJM-UHFFFAOYSA-N -1 1 424.316 4.168 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1Br ZINC000470444992 884842685 /nfs/dbraw/zinc/84/26/85/884842685.db2.gz ICTAIVVYDYKEIC-UHFFFAOYSA-N -1 1 423.288 4.304 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c(Cl)cc1F ZINC000471109742 885644221 /nfs/dbraw/zinc/64/42/21/885644221.db2.gz GSIHFXKBERUAPO-UHFFFAOYSA-N -1 1 413.898 4.394 20 0 HIADMM Cc1ccc(C(=O)N(CC(C)C)C2CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471396461 886046263 /nfs/dbraw/zinc/04/62/63/886046263.db2.gz OITLAYNJUZZWDF-UHFFFAOYSA-N -1 1 404.507 4.196 20 0 HIADMM CS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl ZINC000471587586 886298076 /nfs/dbraw/zinc/29/80/76/886298076.db2.gz VGFIJPYDSZXQCA-UHFFFAOYSA-N -1 1 421.927 4.211 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CC3(C)C)cc2)c1C ZINC000471713537 886424633 /nfs/dbraw/zinc/42/46/33/886424633.db2.gz GUQNPMXPSXYADD-HNNXBMFYSA-N -1 1 400.544 4.365 20 0 HIADMM COc1ccc(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000471833810 886589937 /nfs/dbraw/zinc/58/99/37/886589937.db2.gz RIQHMNOEWLQKCE-JTQLQIEISA-N -1 1 417.314 4.116 20 0 HIADMM Cc1ccc(CCC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)o1 ZINC000472029754 886851823 /nfs/dbraw/zinc/85/18/23/886851823.db2.gz MWVOTPPUBLVTJI-UHFFFAOYSA-N -1 1 402.447 4.099 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@@H]1Cc1ccccc1 ZINC000472182061 886982365 /nfs/dbraw/zinc/98/23/65/886982365.db2.gz LDUDAVKRVYQBTE-OAQYLSRUSA-N -1 1 424.497 4.084 20 0 HIADMM CC(=O)CC(C)(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000472643181 887508057 /nfs/dbraw/zinc/50/80/57/887508057.db2.gz OPYDDZICHNRSNC-UHFFFAOYSA-N -1 1 416.543 4.438 20 0 HIADMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cn1 ZINC000473167703 887944478 /nfs/dbraw/zinc/94/44/78/887944478.db2.gz SJKNAJPDWCAGTL-AWEZNQCLSA-N -1 1 415.902 4.027 20 0 HIADMM O=C([O-])CCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000473445900 888168322 /nfs/dbraw/zinc/16/83/22/888168322.db2.gz XRBDZFAGZHMLRM-UHFFFAOYSA-N -1 1 406.262 4.341 20 0 HIADMM C[C@H](Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000504529573 913308793 /nfs/dbraw/zinc/30/87/93/913308793.db2.gz GKPNDQFQLNKGMX-SNVBAGLBSA-N -1 1 421.824 4.423 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2C)cc1F ZINC000504536376 913315257 /nfs/dbraw/zinc/31/52/57/913315257.db2.gz MLNCXKYRSIAMJV-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM COc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1OC1CCCC1 ZINC000474307752 889172549 /nfs/dbraw/zinc/17/25/49/889172549.db2.gz GKWWUOHWWQWMQD-UHFFFAOYSA-N -1 1 413.518 4.048 20 0 HIADMM COc1ccc2[nH]cc(C3CCN(C(=O)c4c(C)nc(C(C)(C)C)[n-]c4=O)CC3)c2c1 ZINC000474308802 889174772 /nfs/dbraw/zinc/17/47/72/889174772.db2.gz MXQQBVGOLGHICD-UHFFFAOYSA-N -1 1 422.529 4.298 20 0 HIADMM CC1CCC(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000474407058 889273443 /nfs/dbraw/zinc/27/34/43/889273443.db2.gz DGNRLAZUWODYOZ-UHFFFAOYSA-N -1 1 402.516 4.021 20 0 HIADMM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000474407781 889274382 /nfs/dbraw/zinc/27/43/82/889274382.db2.gz CWPLBRQSOXOIGZ-LPHOPBHVSA-N -1 1 402.516 4.021 20 0 HIADMM COc1cc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1OC(C)C ZINC000474495920 889357078 /nfs/dbraw/zinc/35/70/78/889357078.db2.gz NBCCJXXZUUGPPI-ZDUSSCGKSA-N -1 1 401.507 4.075 20 0 HIADMM C[C@@H](C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccs1 ZINC000474534393 889406915 /nfs/dbraw/zinc/40/69/15/889406915.db2.gz MSUXLNRQTOOOCH-CQSZACIVSA-N -1 1 418.515 4.108 20 0 HIADMM Cc1ccc(C)c(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000474536391 889410700 /nfs/dbraw/zinc/41/07/00/889410700.db2.gz CRRCVDBPZWUVRZ-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM C[C@@H](C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccsc1 ZINC000474561115 889437452 /nfs/dbraw/zinc/43/74/52/889437452.db2.gz SRDGFJOGMAHCHV-CQSZACIVSA-N -1 1 418.515 4.108 20 0 HIADMM COCCSc1ccc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000474571559 889447578 /nfs/dbraw/zinc/44/75/78/889447578.db2.gz BGQGENVTJAKZNK-ZDUSSCGKSA-N -1 1 403.548 4.018 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(C4CCOCC4)no3)cc2)c1C ZINC000504598189 913356826 /nfs/dbraw/zinc/35/68/26/913356826.db2.gz PPXJVSOGAICLMM-UHFFFAOYSA-N -1 1 413.499 4.048 20 0 HIADMM O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc(Br)c([O-])c1 ZINC000474709080 889567230 /nfs/dbraw/zinc/56/72/30/889567230.db2.gz WFMMVWAACYXIMB-UHFFFAOYSA-N -1 1 404.304 4.272 20 0 HIADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474830714 889688464 /nfs/dbraw/zinc/68/84/64/889688464.db2.gz GYSPNFHABIPUTH-ZACQAIPSSA-N -1 1 401.532 4.386 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000474916936 889777419 /nfs/dbraw/zinc/77/74/19/889777419.db2.gz ILLRFZCUWPMVJD-UHFFFAOYSA-N -1 1 404.532 4.324 20 0 HIADMM COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2ccc([O-])c(Cl)c2)cc1OC ZINC000474930486 889788957 /nfs/dbraw/zinc/78/89/57/889788957.db2.gz FRWNAUOJLFTZLG-IBGZPJMESA-N -1 1 402.878 4.011 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c(=O)[n-]1 ZINC000475150754 890017506 /nfs/dbraw/zinc/01/75/06/890017506.db2.gz NOAUXZBDINVTAF-INIZCTEOSA-N -1 1 412.515 4.040 20 0 HIADMM O=C(CCc1cccc(F)c1F)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000504671678 913410698 /nfs/dbraw/zinc/41/06/98/913410698.db2.gz ZVDRSDXUSXQPFR-UHFFFAOYSA-N -1 1 416.449 4.337 20 0 HIADMM CN(C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000475325154 890244796 /nfs/dbraw/zinc/24/47/96/890244796.db2.gz RUXFPAJQYCDQLF-UHFFFAOYSA-N -1 1 419.522 4.101 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@H]1CCCC1(C)C ZINC000475340781 890262662 /nfs/dbraw/zinc/26/26/62/890262662.db2.gz AOVNFGIWKHHBST-HXUWFJFHSA-N -1 1 400.544 4.272 20 0 HIADMM COc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000475371409 890302225 /nfs/dbraw/zinc/30/22/25/890302225.db2.gz SBYQDEIAFYVMJC-LJQANCHMSA-N -1 1 417.531 4.216 20 0 HIADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000475655061 890598938 /nfs/dbraw/zinc/59/89/38/890598938.db2.gz XJGPZVAYOPOFLO-MOPGFXCFSA-N -1 1 418.584 4.234 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)cc(-n2cccn2)c1 ZINC000475819637 890753455 /nfs/dbraw/zinc/75/34/55/890753455.db2.gz SHYSMAUOQVLODQ-UHFFFAOYSA-N -1 1 409.920 4.057 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cccc1NC(=O)N(C)C ZINC000475828485 890762739 /nfs/dbraw/zinc/76/27/39/890762739.db2.gz DXZVAIGUZCPPOK-UHFFFAOYSA-N -1 1 419.400 4.047 20 0 HIADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1csc(-c2cnccn2)n1 ZINC000476173848 891103616 /nfs/dbraw/zinc/10/36/16/891103616.db2.gz SOVPRKROOVTGLG-UHFFFAOYSA-N -1 1 400.876 4.024 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(NC(=O)NC(C)C)cc1 ZINC000476280409 891198634 /nfs/dbraw/zinc/19/86/34/891198634.db2.gz CCAKGFVXAOWIKK-UHFFFAOYSA-N -1 1 415.437 4.345 20 0 HIADMM CC1(C)CN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@H]1c1ccncc1 ZINC000476295470 891209851 /nfs/dbraw/zinc/20/98/51/891209851.db2.gz UYXUYDJEPCPYNI-SFHVURJKSA-N -1 1 412.287 4.321 20 0 HIADMM COc1cc(Br)c(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000476362837 891269219 /nfs/dbraw/zinc/26/92/19/891269219.db2.gz FSSYSRJLPQSVGJ-UHFFFAOYSA-N -1 1 401.644 4.469 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1 ZINC000476371553 891283755 /nfs/dbraw/zinc/28/37/55/891283755.db2.gz FRSUOWLJKJPNAR-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cccc(Br)c3C)c2)n1 ZINC000476384391 891298956 /nfs/dbraw/zinc/29/89/56/891298956.db2.gz DAKSICFYVKBTAY-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000476386877 891302118 /nfs/dbraw/zinc/30/21/18/891302118.db2.gz GVCURPMVYXDWSN-RBBKRZOGSA-N -1 1 400.544 4.128 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000476388163 891303867 /nfs/dbraw/zinc/30/38/67/891303867.db2.gz IMZOBNBPMDJIBU-UHFFFAOYSA-N -1 1 400.422 4.472 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)cc1C ZINC000476399792 891316099 /nfs/dbraw/zinc/31/60/99/891316099.db2.gz TVUPFLLQNKJPOC-UHFFFAOYSA-N -1 1 405.516 4.206 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1Cl ZINC000476399235 891316785 /nfs/dbraw/zinc/31/67/85/891316785.db2.gz SZBPUGGFTGZVQH-UHFFFAOYSA-N -1 1 422.865 4.263 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)ccc1Br ZINC000476427420 891339368 /nfs/dbraw/zinc/33/93/68/891339368.db2.gz IFUMYTOBCKOWRM-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1 ZINC000476499097 891412350 /nfs/dbraw/zinc/41/23/50/891412350.db2.gz ILKKPNWLRGCNPJ-UHFFFAOYSA-N -1 1 400.504 4.013 20 0 HIADMM CCc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(-c2c[nH]nc2C)s1 ZINC000476893514 891851143 /nfs/dbraw/zinc/85/11/43/891851143.db2.gz SKISXNQMUBNMFS-UHFFFAOYSA-N -1 1 414.878 4.360 20 0 HIADMM COc1ccc(F)cc1-c1csc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)n1 ZINC000476939436 891881047 /nfs/dbraw/zinc/88/10/47/891881047.db2.gz PMUHVGLWXGSGEN-UHFFFAOYSA-N -1 1 416.478 4.312 20 0 HIADMM O=C(COC/C=C\c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000477321886 892286296 /nfs/dbraw/zinc/28/62/96/892286296.db2.gz QMJDNFPTRCDFHL-FLIBITNWSA-N -1 1 422.506 4.156 20 0 HIADMM CC(C)N(Cc1ccco1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000477793060 892870234 /nfs/dbraw/zinc/87/02/34/892870234.db2.gz RHGLYUMLMFJFPO-UHFFFAOYSA-N -1 1 416.474 4.270 20 0 HIADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000477836023 892897152 /nfs/dbraw/zinc/89/71/52/892897152.db2.gz COLZRVPDXFRSJO-MAZHCROVSA-N -1 1 405.292 4.322 20 0 HIADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000477836146 892897418 /nfs/dbraw/zinc/89/74/18/892897418.db2.gz COLZRVPDXFRSJO-RCBQFDQVSA-N -1 1 405.292 4.322 20 0 HIADMM Cc1cccc2[nH]cc(CC(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)c21 ZINC000504990846 913734313 /nfs/dbraw/zinc/73/43/13/913734313.db2.gz HAUDOUFNDRLGMP-UHFFFAOYSA-N -1 1 419.506 4.458 20 0 HIADMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)c1 ZINC000505028988 913771309 /nfs/dbraw/zinc/77/13/09/913771309.db2.gz CUEKIXOQIJJTNB-UHFFFAOYSA-N -1 1 410.495 4.256 20 0 HIADMM Cc1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000478312845 893537684 /nfs/dbraw/zinc/53/76/84/893537684.db2.gz LCAOSGRRYPVMRK-UHFFFAOYSA-N -1 1 422.466 4.031 20 0 HIADMM CCN(CC1CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000478311909 893538468 /nfs/dbraw/zinc/53/84/68/893538468.db2.gz VASHUUVNINMUDJ-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CCN(CC1CCC1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000478329698 893561581 /nfs/dbraw/zinc/56/15/81/893561581.db2.gz MNAPGWURUJJMGG-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nc(Cc2ccccc2)no1 ZINC000505051294 913792648 /nfs/dbraw/zinc/79/26/48/913792648.db2.gz PNOCBTFSXTZSSG-NSHDSACASA-N -1 1 412.298 4.007 20 0 HIADMM Cc1cc2ccccc2n1CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478533757 893835490 /nfs/dbraw/zinc/83/54/90/893835490.db2.gz HIYAJWOWQPNYGC-UHFFFAOYSA-N -1 1 419.506 4.389 20 0 HIADMM C[C@H](CN(C)C(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1)c1nn[n-]n1 ZINC000478603082 893868718 /nfs/dbraw/zinc/86/87/18/893868718.db2.gz PTDFRYDPDHCMJY-LLVKDONJSA-N -1 1 406.273 4.175 20 0 HIADMM Cc1ccc(C(=O)N(CC2CC2)C2CCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000478625455 893882340 /nfs/dbraw/zinc/88/23/40/893882340.db2.gz HIHAVLJYKUCIBW-UHFFFAOYSA-N -1 1 416.518 4.340 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1C(N)=O ZINC000478704857 893967347 /nfs/dbraw/zinc/96/73/47/893967347.db2.gz OQZXFJBFWBPFSY-UHFFFAOYSA-N -1 1 410.495 4.041 20 0 HIADMM Cc1ccc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)n[nH]2)o1 ZINC000479103928 894368966 /nfs/dbraw/zinc/36/89/66/894368966.db2.gz WSRSWGBLJMEXNE-UHFFFAOYSA-N -1 1 422.466 4.031 20 0 HIADMM O=C(CCOCc1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000479146931 894417311 /nfs/dbraw/zinc/41/73/11/894417311.db2.gz SBOQGYUYXWNEQG-UHFFFAOYSA-N -1 1 410.495 4.033 20 0 HIADMM CN(Cc1cscn1)Cc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000479274297 894548538 /nfs/dbraw/zinc/54/85/38/894548538.db2.gz FBCNPZFEERQRHF-UHFFFAOYSA-N -1 1 424.551 4.124 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](C)[C@@H]3CC)c2)cc1 ZINC000479389199 894691544 /nfs/dbraw/zinc/69/15/44/894691544.db2.gz KPTISVJRRMKFTJ-KKSFZXQISA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](C)[C@@H]3CC)c2)cc1 ZINC000479389195 894692025 /nfs/dbraw/zinc/69/20/25/894692025.db2.gz KPTISVJRRMKFTJ-IERDGZPVSA-N -1 1 416.543 4.147 20 0 HIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)c1 ZINC000479527219 894834904 /nfs/dbraw/zinc/83/49/04/894834904.db2.gz NBJFDLJUASVWRP-UHFFFAOYSA-N -1 1 419.300 4.362 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000479565654 894861918 /nfs/dbraw/zinc/86/19/18/894861918.db2.gz BDUDPGRXIGZWLL-UHFFFAOYSA-N -1 1 406.813 4.142 20 0 HIADMM Cc1nc(-c2ccc(N3C[C@@H](c4ccccc4Cl)OC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000480072885 895424536 /nfs/dbraw/zinc/42/45/36/895424536.db2.gz MAKZONMVMTZHLQ-DJJJIMSYSA-N -1 1 410.905 4.481 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCC4)cc2)cc1 ZINC000480201442 895599572 /nfs/dbraw/zinc/59/95/72/895599572.db2.gz ZHRSWOVSMRYFNN-UHFFFAOYSA-N -1 1 424.570 4.304 20 0 HIADMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480244653 895653601 /nfs/dbraw/zinc/65/36/01/895653601.db2.gz YENJRNMNBKPBJT-UHFFFAOYSA-N -1 1 414.449 4.121 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c(F)c(F)cc(F)c1F ZINC000480694280 896057159 /nfs/dbraw/zinc/05/71/59/896057159.db2.gz LXUBTSYRXNHGMZ-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)ccc1O ZINC000480731314 896091597 /nfs/dbraw/zinc/09/15/97/896091597.db2.gz QLXQPLYEBKFJJJ-UHFFFAOYSA-N -1 1 414.508 4.303 20 0 HIADMM CCNc1cc(C)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000480818621 896191926 /nfs/dbraw/zinc/19/19/26/896191926.db2.gz PAPKQTBABOPUHW-UHFFFAOYSA-N -1 1 409.511 4.480 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000481087318 896407295 /nfs/dbraw/zinc/40/72/95/896407295.db2.gz FFJXLPYEWSZNAN-JKSUJKDBSA-N -1 1 402.376 4.145 20 0 HIADMM O=C(N[C@H]1CCCc2c(O)cccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000481191293 896543765 /nfs/dbraw/zinc/54/37/65/896543765.db2.gz MMFJMZJYQDKHDB-NRFANRHFSA-N -1 1 422.506 4.000 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC[C@H]3C(F)F)ccc2C)c1 ZINC000505415126 914079105 /nfs/dbraw/zinc/07/91/05/914079105.db2.gz JQXOAIRUYFAAMS-SFHVURJKSA-N -1 1 422.497 4.364 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc4c[nH]nc4cc3C)cc2)cc1 ZINC000481294118 896639681 /nfs/dbraw/zinc/63/96/81/896639681.db2.gz JTXWTEYAGGGADN-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1cnc2c(cccc2S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000481440525 896839736 /nfs/dbraw/zinc/83/97/36/896839736.db2.gz TVWBYHHEGZIVGJ-UHFFFAOYSA-N -1 1 411.266 4.349 20 0 HIADMM CC[C@H](C)Sc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c(C)c1 ZINC000481570102 896948881 /nfs/dbraw/zinc/94/88/81/896948881.db2.gz LTKCYVPTXMAKSL-ZDUSSCGKSA-N -1 1 408.545 4.350 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1Cl ZINC000481595896 896974875 /nfs/dbraw/zinc/97/48/75/896974875.db2.gz PNSSJABGQYUVPA-UHFFFAOYSA-N -1 1 405.863 4.063 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000481602469 896983288 /nfs/dbraw/zinc/98/32/88/896983288.db2.gz XROBIFDOSLWNJG-XGAFWQRZSA-N -1 1 424.497 4.303 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC(C)C)ccc1O ZINC000481611663 896992961 /nfs/dbraw/zinc/99/29/61/896992961.db2.gz DZVVKQFJEQAMEV-UHFFFAOYSA-N -1 1 414.936 4.305 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)N(Cc2cccs2)c2ccc(C)cc2)ccc1[O-] ZINC000481613630 896994700 /nfs/dbraw/zinc/99/47/00/896994700.db2.gz WZAWYAHJYBFANV-UHFFFAOYSA-N -1 1 416.524 4.116 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(CSC(C)C)c2C)ccc1[O-] ZINC000481617332 897000097 /nfs/dbraw/zinc/00/00/97/897000097.db2.gz RAOAGPMFMPXBNC-UHFFFAOYSA-N -1 1 408.545 4.101 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)c2ncccc12 ZINC000481857551 897223802 /nfs/dbraw/zinc/22/38/02/897223802.db2.gz RSPXFRGKIAFGFX-UHFFFAOYSA-N -1 1 411.527 4.172 20 0 HIADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000481884276 897257280 /nfs/dbraw/zinc/25/72/80/897257280.db2.gz NPOPZEXHMQCOCG-UHFFFAOYSA-N -1 1 418.534 4.296 20 0 HIADMM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000481903798 897284160 /nfs/dbraw/zinc/28/41/60/897284160.db2.gz ZQPRBUZFMVYSSZ-UHFFFAOYSA-N -1 1 405.483 4.432 20 0 HIADMM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000482256765 897737987 /nfs/dbraw/zinc/73/79/87/897737987.db2.gz CBVHGXZEYOGROP-RBUKOAKNSA-N -1 1 418.584 4.282 20 0 HIADMM Cc1ccccc1COc1cccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000482340468 897846490 /nfs/dbraw/zinc/84/64/90/897846490.db2.gz CKIZHGJFLBBZDB-UHFFFAOYSA-N -1 1 416.481 4.120 20 0 HIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(OC)cc1 ZINC000505519089 914209761 /nfs/dbraw/zinc/20/97/61/914209761.db2.gz CLUJYFJJAQUWAK-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM Cc1cc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(F)cc1F ZINC000482521128 898108105 /nfs/dbraw/zinc/10/81/05/898108105.db2.gz WPTZUMQHYVWSNB-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM COC(C)(C)c1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000482557750 898148919 /nfs/dbraw/zinc/14/89/19/898148919.db2.gz SSQSLMQKXFGBDB-UHFFFAOYSA-N -1 1 421.906 4.381 20 0 HIADMM COC(C)(C)c1noc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC000482567532 898162124 /nfs/dbraw/zinc/16/21/24/898162124.db2.gz RABRTIIXDCMYNL-UHFFFAOYSA-N -1 1 401.488 4.036 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)c1 ZINC000482586794 898183815 /nfs/dbraw/zinc/18/38/15/898183815.db2.gz ZZBWZDRTLMVNCQ-LJQANCHMSA-N -1 1 420.303 4.339 20 0 HIADMM COCCOc1ccc(Cl)cc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482609961 898211348 /nfs/dbraw/zinc/21/13/48/898211348.db2.gz ZUHLOSWVFHEIOK-UHFFFAOYSA-N -1 1 414.683 4.394 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000482637039 898240136 /nfs/dbraw/zinc/24/01/36/898240136.db2.gz JDZKJVAGHOCCHW-UHFFFAOYSA-N -1 1 408.277 4.146 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(OC)c1 ZINC000505537918 914234362 /nfs/dbraw/zinc/23/43/62/914234362.db2.gz HQOKDAXQHBJLBI-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM CCOc1ccc(C(=O)CCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482670208 898272730 /nfs/dbraw/zinc/27/27/30/898272730.db2.gz GFEYEHLJHAGEJW-UHFFFAOYSA-N -1 1 406.276 4.463 20 0 HIADMM CC(C)n1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000482751834 898356448 /nfs/dbraw/zinc/35/64/48/898356448.db2.gz ZDCSXHBFXADTCV-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM CC1=C(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC1 ZINC000482895853 898515153 /nfs/dbraw/zinc/51/51/53/898515153.db2.gz WWPFNJXASKHFOE-UHFFFAOYSA-N -1 1 404.919 4.323 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(C)=C(C)C3)cc2)cc1 ZINC000482898365 898516445 /nfs/dbraw/zinc/51/64/45/898516445.db2.gz PCXVUGJSHGISIU-UHFFFAOYSA-N -1 1 414.527 4.068 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCSCC[C@H]3C)cc2)cc1C ZINC000482953428 898582741 /nfs/dbraw/zinc/58/27/41/898582741.db2.gz YSIADDZPCWSVNG-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cc(F)ccc2O)c1 ZINC000483134384 898816013 /nfs/dbraw/zinc/81/60/13/898816013.db2.gz AXTYVELMPFAWFW-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(Oc4ccncc4)c3)c3cccc1c23 ZINC000483189210 898847917 /nfs/dbraw/zinc/84/79/17/898847917.db2.gz BYKDYXAAMFQOID-UHFFFAOYSA-N -1 1 417.446 4.394 20 0 HIADMM Cc1cccc(NC(=O)CSCC(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000483192437 898849771 /nfs/dbraw/zinc/84/97/71/898849771.db2.gz NPWTZSPWUURIFJ-UHFFFAOYSA-N -1 1 423.332 4.082 20 0 HIADMM Cc1ccc(OC2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)cc1C ZINC000483247339 898889460 /nfs/dbraw/zinc/88/94/60/898889460.db2.gz REUYRSLVOOVILE-UHFFFAOYSA-N -1 1 404.304 4.455 20 0 HIADMM CCC1CCC(N(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)C2CC2)CC1 ZINC000483332007 898962255 /nfs/dbraw/zinc/96/22/55/898962255.db2.gz ANNLEXMPBUKJFY-UHFFFAOYSA-N -1 1 409.552 4.032 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000483719786 899378717 /nfs/dbraw/zinc/37/87/17/899378717.db2.gz AMVVVZALYJUQRV-HXUWFJFHSA-N -1 1 408.477 4.138 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)o1 ZINC000483728762 899388708 /nfs/dbraw/zinc/38/87/08/899388708.db2.gz VHKRBSTXZQHUDS-KRWDZBQOSA-N -1 1 410.511 4.013 20 0 HIADMM Cc1ccc(Cc2cnc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)s2)cc1F ZINC000484251601 899834729 /nfs/dbraw/zinc/83/47/29/899834729.db2.gz GDMYWZSDHOEWGH-UHFFFAOYSA-N -1 1 420.469 4.388 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Br)s1 ZINC000484788682 900196303 /nfs/dbraw/zinc/19/63/03/900196303.db2.gz RSJIHCPRSUDCCN-IUCAKERBSA-N -1 1 406.289 4.158 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H](C)C1CCCC1 ZINC000505752948 914425723 /nfs/dbraw/zinc/42/57/23/914425723.db2.gz LRAPQMQACIFLKN-OAHLLOKOSA-N -1 1 404.507 4.243 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000505756669 914429214 /nfs/dbraw/zinc/42/92/14/914429214.db2.gz CFHLQCFAOSZVBM-UHFFFAOYSA-N -1 1 411.483 4.278 20 0 HIADMM COCc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Oc2ccccc2)c1 ZINC000485040654 900378195 /nfs/dbraw/zinc/37/81/95/900378195.db2.gz CSYBMIRSEADAQR-UHFFFAOYSA-N -1 1 413.451 4.124 20 0 HIADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(Cl)cc2)cc1 ZINC000485167831 900465662 /nfs/dbraw/zinc/46/56/62/900465662.db2.gz XGDWZJSBMXTEQY-UHFFFAOYSA-N -1 1 404.850 4.046 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000505784205 914450802 /nfs/dbraw/zinc/45/08/02/914450802.db2.gz PBJMHLDRJQJINY-ZIAGYGMSSA-N -1 1 412.433 4.405 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1cc(Br)c(F)cc1F ZINC000485284271 900561996 /nfs/dbraw/zinc/56/19/96/900561996.db2.gz NODSZCAKGLMWFO-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cccs1 ZINC000485394205 900690310 /nfs/dbraw/zinc/69/03/10/900690310.db2.gz GGFSIYRTZHGBRL-UHFFFAOYSA-N -1 1 418.515 4.486 20 0 HIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Br)ccc12 ZINC000485394255 900690668 /nfs/dbraw/zinc/69/06/68/900690668.db2.gz URQVSQHCBIKBGA-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485396349 900694003 /nfs/dbraw/zinc/69/40/03/900694003.db2.gz LCOUPOKLVGUZQB-AWEZNQCLSA-N -1 1 418.534 4.424 20 0 HIADMM CCc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)ccn1C ZINC000485421540 900720009 /nfs/dbraw/zinc/72/00/09/900720009.db2.gz ZOLHMFUQOPEAOB-UHFFFAOYSA-N -1 1 417.918 4.294 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000485838328 901084405 /nfs/dbraw/zinc/08/44/05/901084405.db2.gz ASZAUCGQCWYSGR-UHFFFAOYSA-N -1 1 401.470 4.491 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1)C1CCC1 ZINC000486074534 901266388 /nfs/dbraw/zinc/26/63/88/901266388.db2.gz BDOXIJPPTQIXPO-UHFFFAOYSA-N -1 1 412.280 4.372 20 0 HIADMM COc1ccc(NC(=O)C[C@@H]2C[C@@H](C(C)C)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000486356087 901525525 /nfs/dbraw/zinc/52/55/25/901525525.db2.gz UGQPGSLELRPLHI-KXBFYZLASA-N -1 1 416.543 4.322 20 0 HIADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486424301 901581919 /nfs/dbraw/zinc/58/19/19/901581919.db2.gz MKKILMIQSPAIKE-HNNXBMFYSA-N -1 1 400.276 4.321 20 0 HIADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000486556524 901703389 /nfs/dbraw/zinc/70/33/89/901703389.db2.gz DMPGZMGNFSQGSQ-UHFFFAOYSA-N -1 1 405.785 4.045 20 0 HIADMM Cc1cccc(OC(F)F)c1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000486559911 901705549 /nfs/dbraw/zinc/70/55/49/901705549.db2.gz KWSNAIJNFKIIFI-UHFFFAOYSA-N -1 1 414.412 4.034 20 0 HIADMM COc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)C(C)C)cc1[N-]S(C)(=O)=O ZINC000486622091 901757575 /nfs/dbraw/zinc/75/75/75/901757575.db2.gz ZTUREYVFMQJUTC-SFHVURJKSA-N -1 1 410.923 4.098 20 0 HIADMM Cc1cc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)o1 ZINC000486713172 901809066 /nfs/dbraw/zinc/80/90/66/901809066.db2.gz VKSFXJCOPWDSOX-UHFFFAOYSA-N -1 1 406.410 4.228 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000486719748 901811396 /nfs/dbraw/zinc/81/13/96/901811396.db2.gz DCNWHMYJXWQBLH-UHFFFAOYSA-N -1 1 407.495 4.257 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2Br)c(=O)[n-]1 ZINC000486831435 901882858 /nfs/dbraw/zinc/88/28/58/901882858.db2.gz IJGZKWHPPZBBMY-UHFFFAOYSA-N -1 1 416.728 4.200 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1 ZINC000486904054 901948403 /nfs/dbraw/zinc/94/84/03/901948403.db2.gz WKEYGGJRLOIDFM-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccc(C2=CCN(C(=O)c3c([O-])cnc4c(Br)cccc43)CC2)cn1 ZINC000486952048 901986134 /nfs/dbraw/zinc/98/61/34/901986134.db2.gz ATDFKZVINNHNFG-UHFFFAOYSA-N -1 1 424.298 4.336 20 0 HIADMM Cc1cscc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000487039919 902033410 /nfs/dbraw/zinc/03/34/10/902033410.db2.gz MINVFFDPHHELSX-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c(=O)[n-]1 ZINC000487715982 902311875 /nfs/dbraw/zinc/31/18/75/902311875.db2.gz DZGOHGSTDGVEGU-UHFFFAOYSA-N -1 1 410.499 4.280 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000488224327 902705163 /nfs/dbraw/zinc/70/51/63/902705163.db2.gz CQTYEBCUDAGPDU-UHFFFAOYSA-N -1 1 421.828 4.301 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1C(=O)N(C)C ZINC000488251612 902726173 /nfs/dbraw/zinc/72/61/73/902726173.db2.gz MFUFOCVJJAOBRF-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM CCOc1cc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc(Cl)c1[O-] ZINC000488506732 902861077 /nfs/dbraw/zinc/86/10/77/902861077.db2.gz OZXFLXIHPXDFDM-HNNXBMFYSA-N -1 1 405.882 4.462 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCC(F)(F)C3)ccc2C)cc1 ZINC000488933257 903084594 /nfs/dbraw/zinc/08/45/94/903084594.db2.gz ASBJPMHUFKNELR-SFHVURJKSA-N -1 1 422.497 4.412 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000488969782 903101273 /nfs/dbraw/zinc/10/12/73/903101273.db2.gz DPMIFOBJOLOLCC-MRXNPFEDSA-N -1 1 408.470 4.104 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCC(F)(F)C3)cc2)cc1C ZINC000488975094 903102645 /nfs/dbraw/zinc/10/26/45/903102645.db2.gz DMGXSVHDXKGDMQ-GOSISDBHSA-N -1 1 422.497 4.412 20 0 HIADMM Cc1ccc(C[C@@H](C)C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000489000162 903113216 /nfs/dbraw/zinc/11/32/16/903113216.db2.gz QEPQZMRLHYJFRO-LJQANCHMSA-N -1 1 422.550 4.291 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(F)c(Br)c3)ccc21 ZINC000489753708 903579202 /nfs/dbraw/zinc/57/92/02/903579202.db2.gz NDJBPOMCVOFGJW-UHFFFAOYSA-N -1 1 412.284 4.320 20 0 HIADMM Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)oc1C ZINC000489756008 903582362 /nfs/dbraw/zinc/58/23/62/903582362.db2.gz RDJVHXKAOREKTH-UHFFFAOYSA-N -1 1 406.847 4.111 20 0 HIADMM O=C(Cc1ccc(F)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000490211696 903830069 /nfs/dbraw/zinc/83/00/69/903830069.db2.gz XHSBCWYIRQKRQR-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM Cc1ccc(C)c(SCc2cccc(C(=O)Nc3nc(SCCO)n[nH]3)c2)c1 ZINC000490545249 904089337 /nfs/dbraw/zinc/08/93/37/904089337.db2.gz OXJGHZGDRSUUTB-UHFFFAOYSA-N -1 1 414.556 4.051 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3c(C)cccc3O)c2)c1 ZINC000490641011 904150989 /nfs/dbraw/zinc/15/09/89/904150989.db2.gz VCIAJPITGDOFKB-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3c(C)cccc3O)cc2)cc1C ZINC000490683900 904170902 /nfs/dbraw/zinc/17/09/02/904170902.db2.gz LBXABGKDHAOJKB-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000490930777 904323958 /nfs/dbraw/zinc/32/39/58/904323958.db2.gz UOVRZFJIIHXWFC-UHFFFAOYSA-N -1 1 406.504 4.023 20 0 HIADMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000491074021 904413033 /nfs/dbraw/zinc/41/30/33/904413033.db2.gz HAZFOQSSEASSFC-QFBILLFUSA-N -1 1 404.304 4.361 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(N)=O)c3)cc2)c1 ZINC000491080692 904416426 /nfs/dbraw/zinc/41/64/26/904416426.db2.gz WHOLXYPMNSQUKF-UHFFFAOYSA-N -1 1 416.886 4.340 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)c(=O)[n-]1 ZINC000491243095 904497505 /nfs/dbraw/zinc/49/75/05/904497505.db2.gz KNPDBIHGGWTQAJ-CQSZACIVSA-N -1 1 408.527 4.085 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(Cl)c(F)c(Cl)c3)cc21 ZINC000491865381 904715879 /nfs/dbraw/zinc/71/58/79/904715879.db2.gz GZXKDVBYSXXFCC-UHFFFAOYSA-N -1 1 417.289 4.232 20 0 HIADMM CCOc1cccc2cc([C@H](C)NC(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)oc21 ZINC000492254125 904824735 /nfs/dbraw/zinc/82/47/35/904824735.db2.gz UHIMJGMKIAOPDS-AWEZNQCLSA-N -1 1 422.485 4.007 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c(=O)[n-]1 ZINC000492375593 904840813 /nfs/dbraw/zinc/84/08/13/904840813.db2.gz MNMSJCPTVFOQRG-AWEZNQCLSA-N -1 1 411.449 4.228 20 0 HIADMM O=C(Cc1cccc2cccnc21)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000492850199 904926663 /nfs/dbraw/zinc/92/66/63/904926663.db2.gz FFJCOVRFTOEFIO-UHFFFAOYSA-N -1 1 417.490 4.217 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1OC ZINC000493156371 905034951 /nfs/dbraw/zinc/03/49/51/905034951.db2.gz OKNFZWPYJMCTNT-UHFFFAOYSA-N -1 1 409.467 4.048 20 0 HIADMM Cc1cc(C[C@H](C)NC(=O)c2ccc(Br)c([O-])c2)n(-c2ccccc2)n1 ZINC000494081870 905417496 /nfs/dbraw/zinc/41/74/96/905417496.db2.gz OAAFJOAYVMYJTO-ZDUSSCGKSA-N -1 1 414.303 4.010 20 0 HIADMM CCC[C@H](C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccn1 ZINC000494120280 905464158 /nfs/dbraw/zinc/46/41/58/905464158.db2.gz PNQCZUQCIQKTIF-FQEVSTJZSA-N -1 1 423.538 4.083 20 0 HIADMM CCC(CC)N(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000494845946 906033608 /nfs/dbraw/zinc/03/36/08/906033608.db2.gz OOKXTYYFFGIJKO-UHFFFAOYSA-N -1 1 406.523 4.206 20 0 HIADMM Cc1nc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cs1 ZINC000495462239 906465031 /nfs/dbraw/zinc/46/50/31/906465031.db2.gz LGYOJBRBWZLRKN-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc(Br)c([O-])c1 ZINC000495918474 906577287 /nfs/dbraw/zinc/57/72/87/906577287.db2.gz VOVIALLCNHROQH-UHFFFAOYSA-N -1 1 418.209 4.164 20 0 HIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)cc2)n[nH]1 ZINC000497166520 906815603 /nfs/dbraw/zinc/81/56/03/906815603.db2.gz WBBCEYSTPCHXGA-UHFFFAOYSA-N -1 1 420.494 4.160 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCC(=O)C[C@H]3C)ccc2C)c1 ZINC000498078006 907586348 /nfs/dbraw/zinc/58/63/48/907586348.db2.gz MLXPKNXMFPPDCO-OXQOHEQNSA-N -1 1 414.527 4.048 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCc2ccccc2C1 ZINC000498208724 907740430 /nfs/dbraw/zinc/74/04/30/907740430.db2.gz DWUJVZJHFGOUSF-UHFFFAOYSA-N -1 1 407.495 4.078 20 0 HIADMM O=C(NCc1cccc(Cl)c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498228826 907758400 /nfs/dbraw/zinc/75/84/00/907758400.db2.gz PATPYMGUZCUMST-UHFFFAOYSA-N -1 1 415.902 4.463 20 0 HIADMM CCc1nc(C(=O)[N-]c2nnc(-c3ccccc3)s2)nn1-c1ccccc1Cl ZINC000498312919 907834575 /nfs/dbraw/zinc/83/45/75/907834575.db2.gz XUYNMKFCOVBNPW-UHFFFAOYSA-N -1 1 410.890 4.254 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(OCC4CCCCC4)cc3)cc2o1 ZINC000498425189 907896298 /nfs/dbraw/zinc/89/62/98/907896298.db2.gz XGOCHFSPERGUQZ-UHFFFAOYSA-N -1 1 402.472 4.293 20 0 HIADMM CCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000498754720 908178962 /nfs/dbraw/zinc/17/89/62/908178962.db2.gz UIWZVYUMGCLDCV-UHFFFAOYSA-N -1 1 420.840 4.165 20 0 HIADMM O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000499223809 908580669 /nfs/dbraw/zinc/58/06/69/908580669.db2.gz UKORRQRUASISSC-UHFFFAOYSA-N -1 1 424.363 4.149 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1C ZINC000499419935 908785879 /nfs/dbraw/zinc/78/58/79/908785879.db2.gz VRWQJIJDQCNVRO-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM CCCN(CC(C)C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000499667748 908871085 /nfs/dbraw/zinc/87/10/85/908871085.db2.gz HLNGTEHAELXUCN-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)c([O-])c2)cc1OC ZINC000499739901 908895149 /nfs/dbraw/zinc/89/51/49/908895149.db2.gz JETNLIUECIDSMC-OAHLLOKOSA-N -1 1 406.276 4.149 20 0 HIADMM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc(Br)c([O-])c1 ZINC000499843645 908975961 /nfs/dbraw/zinc/97/59/61/908975961.db2.gz CMNHDXOCMBMRSE-UHFFFAOYSA-N -1 1 417.234 4.411 20 0 HIADMM CC[C@H](NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(Cl)s1 ZINC000513084461 921536462 /nfs/dbraw/zinc/53/64/62/921536462.db2.gz VJKGABZXWPRPFI-NSHDSACASA-N -1 1 417.940 4.054 20 0 HIADMM O=C(NC1CC(c2ccccc2)C1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000500931796 910192699 /nfs/dbraw/zinc/19/26/99/910192699.db2.gz BMYOJEXNYLTCDN-UHFFFAOYSA-N -1 1 424.497 4.303 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000500997868 910222583 /nfs/dbraw/zinc/22/25/83/910222583.db2.gz ZQFBGZAUNJINBK-AWEZNQCLSA-N -1 1 404.495 4.187 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC(C)C)C3CC3)cc2)ccc1F ZINC000513124320 921569528 /nfs/dbraw/zinc/56/95/28/921569528.db2.gz QRPWRHIJJLEOIT-UHFFFAOYSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000501618768 910718675 /nfs/dbraw/zinc/71/86/75/910718675.db2.gz USHYUQIVIHBDTJ-GDBMZVCRSA-N -1 1 404.507 4.053 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C)[C@@H](C)C3)cc2)c1C ZINC000501641116 910732166 /nfs/dbraw/zinc/73/21/66/910732166.db2.gz AOUOBPBQPPQFIX-WBVHZDCISA-N -1 1 400.544 4.222 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@@H](C)C3)cc2)c1C ZINC000501641115 910732617 /nfs/dbraw/zinc/73/26/17/910732617.db2.gz AOUOBPBQPPQFIX-RDJZCZTQSA-N -1 1 400.544 4.222 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000501809740 910861185 /nfs/dbraw/zinc/86/11/85/910861185.db2.gz VRNNFLKWVAZHST-UHFFFAOYSA-N -1 1 400.481 4.004 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C[C@@H](C)C1 ZINC000502197293 911140894 /nfs/dbraw/zinc/14/08/94/911140894.db2.gz MZVMTGQQUUUADC-HOTGVXAUSA-N -1 1 404.507 4.135 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1nccs1 ZINC000502423041 911401825 /nfs/dbraw/zinc/40/18/25/911401825.db2.gz OUEFXSPQDKKNDE-SNVBAGLBSA-N -1 1 413.721 4.128 20 0 HIADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c3cc(=O)[nH][n-]3)cc1)O[C@H](C)C2 ZINC000502687987 911727897 /nfs/dbraw/zinc/72/78/97/911727897.db2.gz UCKAENSLLBXOLG-XVGQJIODSA-N -1 1 419.481 4.247 20 0 HIADMM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000502927558 911914085 /nfs/dbraw/zinc/91/40/85/911914085.db2.gz CQJSGXXAHRFPIZ-IEBWSBKVSA-N -1 1 416.543 4.330 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)[C@H]1C[C@@H]1C(F)F ZINC000513311628 921705220 /nfs/dbraw/zinc/70/52/20/921705220.db2.gz VNLXOQRBGHVWKM-STQMWFEESA-N -1 1 418.824 4.120 20 0 HIADMM CC(C)COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000503121335 912084816 /nfs/dbraw/zinc/08/48/16/912084816.db2.gz OGEVQNWLWDSGES-UHFFFAOYSA-N -1 1 409.471 4.271 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000506567967 915216638 /nfs/dbraw/zinc/21/66/38/915216638.db2.gz KOQNIUTYXSRVEG-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cc(OC)ccc1Cl ZINC000506675694 915351974 /nfs/dbraw/zinc/35/19/74/915351974.db2.gz LTRZRQSUCPQPBV-UHFFFAOYSA-N -1 1 424.689 4.243 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1)[C@H]1CCCO1 ZINC000506721860 915401005 /nfs/dbraw/zinc/40/10/05/915401005.db2.gz JLQIEFDMKAWMCN-JOCHJYFZSA-N -1 1 422.506 4.272 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(OCC(F)F)c2ccccc21 ZINC000506995149 915808980 /nfs/dbraw/zinc/80/89/80/915808980.db2.gz OJSJZABPCDRTOP-UHFFFAOYSA-N -1 1 405.422 4.315 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(Br)c(C(F)(F)F)c1 ZINC000507019042 915825261 /nfs/dbraw/zinc/82/52/61/915825261.db2.gz CMNMNRJKPAEHCT-UHFFFAOYSA-N -1 1 422.222 4.299 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000507346875 916100615 /nfs/dbraw/zinc/10/06/15/916100615.db2.gz CXVVNDJSNDAUFC-UHFFFAOYSA-N -1 1 402.332 4.415 20 0 HIADMM O=S(=O)([N-]Cc1cccc(COCc2ccccc2)c1)c1cccc(F)c1F ZINC000507428940 916200124 /nfs/dbraw/zinc/20/01/24/916200124.db2.gz JTROWHMWNLCVCV-UHFFFAOYSA-N -1 1 403.450 4.160 20 0 HIADMM O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1nc2ccccc2c(=O)[n-]1 ZINC000507567482 916323413 /nfs/dbraw/zinc/32/34/13/916323413.db2.gz QPJHVOPWOLKLNI-BBRMVZONSA-N -1 1 401.388 4.008 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1 ZINC000507597138 916350488 /nfs/dbraw/zinc/35/04/88/916350488.db2.gz QGUHWDAZPNTPBQ-UHFFFAOYSA-N -1 1 414.455 4.060 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)c(Cl)c2)cc1OC ZINC000507640135 916400083 /nfs/dbraw/zinc/40/00/83/916400083.db2.gz ZPBPDOZCXUNMKX-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507907838 916780458 /nfs/dbraw/zinc/78/04/58/916780458.db2.gz HWIREDXSIIKLDO-NSHDSACASA-N -1 1 412.496 4.133 20 0 HIADMM O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000508084139 916902899 /nfs/dbraw/zinc/90/28/99/916902899.db2.gz XQAXYLCNXRBEEY-CYBMUJFWSA-N -1 1 410.136 4.466 20 0 HIADMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)c1 ZINC000508196926 917017452 /nfs/dbraw/zinc/01/74/52/917017452.db2.gz WVYHLYSRGJYTEG-UHFFFAOYSA-N -1 1 423.494 4.186 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)COC4)cc2)cc1 ZINC000508383854 917181455 /nfs/dbraw/zinc/18/14/55/917181455.db2.gz DVUMNXVYXYJARM-UHFFFAOYSA-N -1 1 408.479 4.078 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)COC4)cc2)c1 ZINC000508412896 917200807 /nfs/dbraw/zinc/20/08/07/917200807.db2.gz UZZJUDMLXXPZGB-UHFFFAOYSA-N -1 1 422.506 4.387 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)c1 ZINC000509075584 917821452 /nfs/dbraw/zinc/82/14/52/917821452.db2.gz RIOJSDMLTQSGKF-UHFFFAOYSA-N -1 1 412.536 4.139 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)c(OCC3CCOCC3)c2)c1 ZINC000509088408 917830591 /nfs/dbraw/zinc/83/05/91/917830591.db2.gz BTQUWVATHIZHDC-UHFFFAOYSA-N -1 1 407.557 4.323 20 0 HIADMM O=C(C[C@@H]1C[C@H]1c1ccccc1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000509223237 917920912 /nfs/dbraw/zinc/92/09/12/917920912.db2.gz FPIIXGSTAYTSHB-UNMCSNQZSA-N -1 1 420.534 4.297 20 0 HIADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000509224056 917921943 /nfs/dbraw/zinc/92/19/43/917921943.db2.gz MKAWVYAZQAFUEK-UHFFFAOYSA-N -1 1 406.248 4.154 20 0 HIADMM CC[C@@H](C)Oc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000509243063 917936908 /nfs/dbraw/zinc/93/69/08/917936908.db2.gz IBZMMIUQBKYSBZ-OAHLLOKOSA-N -1 1 406.486 4.301 20 0 HIADMM COc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000509244796 917938927 /nfs/dbraw/zinc/93/89/27/917938927.db2.gz DZMHZYQIKSALJU-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000509339305 918006697 /nfs/dbraw/zinc/00/66/97/918006697.db2.gz VLJSAHSIXWDSNW-VXKWHMMOSA-N -1 1 416.525 4.328 20 0 HIADMM Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000509391184 918056456 /nfs/dbraw/zinc/05/64/56/918056456.db2.gz YHEYHTQYMDOZJU-UHFFFAOYSA-N -1 1 422.450 4.267 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000509422093 918082810 /nfs/dbraw/zinc/08/28/10/918082810.db2.gz SMYOQKHRCGLQKB-UHFFFAOYSA-N -1 1 414.266 4.005 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000509521526 918170411 /nfs/dbraw/zinc/17/04/11/918170411.db2.gz RUIGCHDCZFVVKS-GOSISDBHSA-N -1 1 421.950 4.204 20 0 HIADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cc1 ZINC000509567758 918218160 /nfs/dbraw/zinc/21/81/60/918218160.db2.gz KEYAMVUMITUQBZ-UHFFFAOYSA-N -1 1 407.538 4.010 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000509614818 918263207 /nfs/dbraw/zinc/26/32/07/918263207.db2.gz SMFHFMBJOICPSY-UHFFFAOYSA-N -1 1 408.321 4.489 20 0 HIADMM CCCN(Cc1ccc(F)cc1)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509690970 918320679 /nfs/dbraw/zinc/32/06/79/918320679.db2.gz NCUCILMLDLSWHD-UHFFFAOYSA-N -1 1 408.477 4.063 20 0 HIADMM CCCOc1cc(C)ccc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509722576 918347417 /nfs/dbraw/zinc/34/74/17/918347417.db2.gz ACFRDTKLXKLNLX-UHFFFAOYSA-N -1 1 406.486 4.221 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F ZINC000509747311 918365009 /nfs/dbraw/zinc/36/50/09/918365009.db2.gz PVZWUNOAQGKVRR-MRVPVSSYSA-N -1 1 422.252 4.179 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F ZINC000509747312 918365282 /nfs/dbraw/zinc/36/52/82/918365282.db2.gz PVZWUNOAQGKVRR-QMMMGPOBSA-N -1 1 422.252 4.179 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](CC(C)C)c1cccs1 ZINC000509756633 918372468 /nfs/dbraw/zinc/37/24/68/918372468.db2.gz UCTJIMXXUOOHPD-GOSISDBHSA-N -1 1 410.543 4.450 20 0 HIADMM COc1ccc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)cc1[N-]S(C)(=O)=O ZINC000510023885 918600669 /nfs/dbraw/zinc/60/06/69/918600669.db2.gz PWAZXHYNQRPZOL-UHFFFAOYSA-N -1 1 424.478 4.147 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000510104437 918668404 /nfs/dbraw/zinc/66/84/04/918668404.db2.gz LBHZXGCWMLSNIP-HSZRJFAPSA-N -1 1 424.504 4.200 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OCCOC)c2)c2ccccc12 ZINC000511220824 919829210 /nfs/dbraw/zinc/82/92/10/919829210.db2.gz KGQCKIJYVUTZNZ-UHFFFAOYSA-N -1 1 401.484 4.065 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4[nH]cnc4c3)cc2)c1 ZINC000511344458 919938116 /nfs/dbraw/zinc/93/81/16/919938116.db2.gz LJRSNIDWRHXMED-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c(OCC(F)(F)F)c1 ZINC000511687778 920350301 /nfs/dbraw/zinc/35/03/01/920350301.db2.gz OIRCWNMYGFXOOU-UGSOOPFHSA-N -1 1 419.465 4.073 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1C ZINC000511698767 920363191 /nfs/dbraw/zinc/36/31/91/920363191.db2.gz CFDYGCAHSLXECL-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CC(C)(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccs1 ZINC000511842528 920557783 /nfs/dbraw/zinc/55/77/83/920557783.db2.gz GHOYPSXBGLMKBL-UHFFFAOYSA-N -1 1 414.552 4.257 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)[C@@H](C)CC)cc2)cc1 ZINC000512149433 920890915 /nfs/dbraw/zinc/89/09/15/920890915.db2.gz RMRMLTMLSVGTPP-JKSUJKDBSA-N -1 1 404.532 4.051 20 0 HIADMM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)c1 ZINC000513813415 922138167 /nfs/dbraw/zinc/13/81/67/922138167.db2.gz DEQPHWVZJGIZRS-UHFFFAOYSA-N -1 1 417.441 4.086 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1 ZINC000514639326 922740561 /nfs/dbraw/zinc/74/05/61/922740561.db2.gz XVHZLWCLKQECTE-UHFFFAOYSA-N -1 1 408.676 4.189 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)c(C)c1 ZINC000514987718 922869073 /nfs/dbraw/zinc/86/90/73/922869073.db2.gz FYPWHGVECAHJOC-UHFFFAOYSA-N -1 1 417.462 4.179 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC=C(c3c[nH]c4cc(C)ccc43)CC2)c(=O)[n-]1 ZINC000515244261 923012067 /nfs/dbraw/zinc/01/20/67/923012067.db2.gz OMEUVTBLLINTHO-UHFFFAOYSA-N -1 1 422.554 4.251 20 0 HIADMM CCCN(CC(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000515372400 923069901 /nfs/dbraw/zinc/06/99/01/923069901.db2.gz ZNDGVLKDKGUOOE-UHFFFAOYSA-N -1 1 406.523 4.443 20 0 HIADMM COc1cccc(OC)c1OCCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000515559482 923178365 /nfs/dbraw/zinc/17/83/65/923178365.db2.gz RDEUASLAIKKSGO-UHFFFAOYSA-N -1 1 404.410 4.170 20 0 HIADMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000515611058 923213943 /nfs/dbraw/zinc/21/39/43/923213943.db2.gz RNQUNDMFXXKXSA-UHFFFAOYSA-N -1 1 406.507 4.198 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1Br ZINC000515626675 923227524 /nfs/dbraw/zinc/22/75/24/923227524.db2.gz XZQBKPVGOKURDH-UHFFFAOYSA-N -1 1 417.284 4.277 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)cc1F ZINC000515631044 923231784 /nfs/dbraw/zinc/23/17/84/923231784.db2.gz RYACKXUSUPJRGN-UHFFFAOYSA-N -1 1 420.506 4.006 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)c1 ZINC000515632429 923232836 /nfs/dbraw/zinc/23/28/36/923232836.db2.gz RAQKCENXENEKAN-UHFFFAOYSA-N -1 1 400.544 4.475 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1C ZINC000515635195 923233729 /nfs/dbraw/zinc/23/37/29/923233729.db2.gz MYPYHHCSMURKOH-UHFFFAOYSA-N -1 1 419.499 4.076 20 0 HIADMM CC(C)Oc1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)ccc1C(N)=O ZINC000515824696 923376168 /nfs/dbraw/zinc/37/61/68/923376168.db2.gz SIHIRKQYRZLSEM-UHFFFAOYSA-N -1 1 424.478 4.273 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cs3)cc2)c1 ZINC000515835758 923384647 /nfs/dbraw/zinc/38/46/47/923384647.db2.gz ZBNQSRWHWPSUMM-UHFFFAOYSA-N -1 1 420.537 4.190 20 0 HIADMM CC(C)[C@@H](C)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000516331316 923670402 /nfs/dbraw/zinc/67/04/02/923670402.db2.gz NDZKWEWZRKHVQJ-CQSZACIVSA-N -1 1 422.497 4.415 20 0 HIADMM O=C(Cc1ccc(Cl)c(F)c1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000516389613 923706620 /nfs/dbraw/zinc/70/66/20/923706620.db2.gz QRYWJDKSNHBNNA-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N([C@H](C)C(C)C)C2CC2)cc1 ZINC000516763418 923880240 /nfs/dbraw/zinc/88/02/40/923880240.db2.gz UHPZIRGASQIHMI-QGZVFWFLSA-N -1 1 400.544 4.445 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000516940429 923943246 /nfs/dbraw/zinc/94/32/46/923943246.db2.gz WMHAABUMRKHGPW-OAQYLSRUSA-N -1 1 415.515 4.426 20 0 HIADMM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1cc(F)c(Br)cc1F ZINC000516949630 923945750 /nfs/dbraw/zinc/94/57/50/923945750.db2.gz HAWUSBBWYROTAN-UHFFFAOYSA-N -1 1 414.630 4.462 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H]2C(C)C)cc1 ZINC000517085040 923988373 /nfs/dbraw/zinc/98/83/73/923988373.db2.gz MEDILANJKVDLLA-LJQANCHMSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCc4ccc(F)cc43)c2)cc1 ZINC000517365561 924135010 /nfs/dbraw/zinc/13/50/10/924135010.db2.gz RIOGQFUIGXBURW-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM Cc1nc(COc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)no1 ZINC000517437972 924186942 /nfs/dbraw/zinc/18/69/42/924186942.db2.gz PWZKLVZXSCZJFY-UHFFFAOYSA-N -1 1 414.270 4.065 20 0 HIADMM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000517448388 924196456 /nfs/dbraw/zinc/19/64/56/924196456.db2.gz HSPUPSNCHIEUTH-UHFFFAOYSA-N -1 1 412.433 4.091 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccccc2F)n1)c1n[n-]c(CCC2CCCC2)n1 ZINC000517464126 924207429 /nfs/dbraw/zinc/20/74/29/924207429.db2.gz PEUUPWOWBBZNGZ-UHFFFAOYSA-N -1 1 420.535 4.164 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1 ZINC000517554574 924262220 /nfs/dbraw/zinc/26/22/20/924262220.db2.gz ZTTNSLWIFGLMCF-UHFFFAOYSA-N -1 1 415.902 4.351 20 0 HIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)ccc21 ZINC000517615145 926724637 /nfs/dbraw/zinc/72/46/37/926724637.db2.gz RVYHDAIFJDQCFU-OAHLLOKOSA-N -1 1 411.527 4.150 20 0 HIADMM CC[C@@H](C)N(Cc1ccccc1)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000517806230 926845526 /nfs/dbraw/zinc/84/55/26/926845526.db2.gz WNAVMGNHFZMCJK-QGZVFWFLSA-N -1 1 404.514 4.313 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000517880181 926872178 /nfs/dbraw/zinc/87/21/78/926872178.db2.gz UZZJRBTZDSWAOY-UHFFFAOYSA-N -1 1 420.900 4.231 20 0 HIADMM COc1ccsc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000517986341 926929660 /nfs/dbraw/zinc/92/96/60/926929660.db2.gz DGFLQLPGIWKNSB-UHFFFAOYSA-N -1 1 402.497 4.118 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]3C(C)C)cc2)cc1C ZINC000518049480 926987816 /nfs/dbraw/zinc/98/78/16/926987816.db2.gz ICPSGBCDOWJDRR-OAQYLSRUSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CC[C@H](C)CC2)cc1 ZINC000518144124 927044845 /nfs/dbraw/zinc/04/48/45/927044845.db2.gz IKAJRNLZMWCBAF-PPUGGXLSSA-N -1 1 404.507 4.243 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1C ZINC000518329015 927193296 /nfs/dbraw/zinc/19/32/96/927193296.db2.gz OGYYVBQDYLCWPB-UHFFFAOYSA-N -1 1 418.559 4.201 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1C ZINC000518332135 927197171 /nfs/dbraw/zinc/19/71/71/927197171.db2.gz FRGPKHNSSDYYDR-IRXDYDNUSA-N -1 1 402.560 4.335 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c(=O)[n-]1 ZINC000518665779 927417969 /nfs/dbraw/zinc/41/79/69/927417969.db2.gz PBOCJDYNZKSRLJ-IBGZPJMESA-N -1 1 410.543 4.380 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(F)c(F)c(F)c1F ZINC000518783267 927490435 /nfs/dbraw/zinc/49/04/35/927490435.db2.gz DBUNXGJRKVXZMM-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM O=S(=O)([N-]c1ccccc1N1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000518860716 927565462 /nfs/dbraw/zinc/56/54/62/927565462.db2.gz HBXZUPZGWJLUCV-UHFFFAOYSA-N -1 1 400.422 4.029 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)cc1C ZINC000518916181 927624187 /nfs/dbraw/zinc/62/41/87/927624187.db2.gz LZMHCOCXCOVSGC-UHFFFAOYSA-N -1 1 416.543 4.094 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C3CC3)C3CCCC3)cc2)ccc1F ZINC000519092337 927764462 /nfs/dbraw/zinc/76/44/62/927764462.db2.gz BMFFFIWJHZNKOA-UHFFFAOYSA-N -1 1 416.518 4.482 20 0 HIADMM CC(C)(NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000519145710 927803902 /nfs/dbraw/zinc/80/39/02/927803902.db2.gz GPMMPGXRKXZIAE-UHFFFAOYSA-N -1 1 412.486 4.292 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)N(C)c4ccccc4)c3)ccc2O1 ZINC000519266001 927855615 /nfs/dbraw/zinc/85/56/15/927855615.db2.gz INBGJAPMECJDNX-INIZCTEOSA-N -1 1 422.506 4.087 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000519267915 927856579 /nfs/dbraw/zinc/85/65/79/927856579.db2.gz YYPQSOSIMGEPJT-INIZCTEOSA-N -1 1 416.543 4.073 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)c3cccnc3)ccc2C)c1 ZINC000519405162 927927772 /nfs/dbraw/zinc/92/77/72/927927772.db2.gz FUHXWOHCIQRLBL-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000519457017 927963145 /nfs/dbraw/zinc/96/31/45/927963145.db2.gz BKLDMMJSZYRCKK-IBGZPJMESA-N -1 1 422.506 4.244 20 0 HIADMM O=S(=O)(Cc1csc(C2CCCC2)n1)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000519520503 928008213 /nfs/dbraw/zinc/00/82/13/928008213.db2.gz OFPWJYANZDCGGR-UHFFFAOYSA-N -1 1 408.936 4.213 20 0 HIADMM O=S(=O)(Cc1csc(C2CCCC2)n1)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000519520503 928008225 /nfs/dbraw/zinc/00/82/25/928008225.db2.gz OFPWJYANZDCGGR-UHFFFAOYSA-N -1 1 408.936 4.213 20 0 HIADMM CCc1ncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)s1 ZINC000519944292 928178920 /nfs/dbraw/zinc/17/89/20/928178920.db2.gz HBIYVXJBMOZMNW-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1 ZINC000520018584 928243147 /nfs/dbraw/zinc/24/31/47/928243147.db2.gz YXGOCVJKZHBUEE-SFHVURJKSA-N -1 1 400.544 4.427 20 0 HIADMM CCCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H]1CCc2ccccc21 ZINC000520151193 928344044 /nfs/dbraw/zinc/34/40/44/928344044.db2.gz CUDVPFZBDOHPPR-OAQYLSRUSA-N -1 1 402.498 4.021 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1OC ZINC000520286616 928447895 /nfs/dbraw/zinc/44/78/95/928447895.db2.gz MUJXJCLUYRXAER-UHFFFAOYSA-N -1 1 404.532 4.193 20 0 HIADMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1cc(Cl)ccc1OCC1CCC1 ZINC000520299905 928462618 /nfs/dbraw/zinc/46/26/18/928462618.db2.gz XHFVUEHFNODGPX-UHFFFAOYSA-N -1 1 409.817 4.062 20 0 HIADMM CC[C@H](C)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000520347266 928509516 /nfs/dbraw/zinc/50/95/16/928509516.db2.gz UVPBPGGSUZDRQE-ZDUSSCGKSA-N -1 1 412.914 4.398 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000520467486 928583217 /nfs/dbraw/zinc/58/32/17/928583217.db2.gz TZHMNYAJQUVDAE-UHFFFAOYSA-N -1 1 417.449 4.368 20 0 HIADMM Cc1ccc(C(=O)N2CCCSCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000520513127 928612431 /nfs/dbraw/zinc/61/24/31/928612431.db2.gz LBYQCVMPQYOCMO-UHFFFAOYSA-N -1 1 424.975 4.028 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000520571178 928647006 /nfs/dbraw/zinc/64/70/06/928647006.db2.gz FOXMDPRVQRLDCL-FQEVSTJZSA-N -1 1 406.530 4.255 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cc(C)n3)cc2)c1 ZINC000520627528 928684141 /nfs/dbraw/zinc/68/41/41/928684141.db2.gz PRQRNMIUCWJYKH-UHFFFAOYSA-N -1 1 415.540 4.192 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC2CCC(c3ccccc3)CC2)o1 ZINC000520796924 928822977 /nfs/dbraw/zinc/82/29/77/928822977.db2.gz NSQBQITVKKJJNZ-UHFFFAOYSA-N -1 1 418.559 4.060 20 0 HIADMM Cc1ccccc1-c1csc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000520889818 928860746 /nfs/dbraw/zinc/86/07/46/928860746.db2.gz UDCQNROXYJKWKR-UHFFFAOYSA-N -1 1 417.494 4.166 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)o1 ZINC000521022919 928939804 /nfs/dbraw/zinc/93/98/04/928939804.db2.gz XZPJMFOKCVTKNL-UHFFFAOYSA-N -1 1 416.286 4.380 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000521331847 929148768 /nfs/dbraw/zinc/14/87/68/929148768.db2.gz PVKUHIGPWDNVDE-XMMPIXPASA-N -1 1 406.530 4.060 20 0 HIADMM Cc1cccc2c1CC[C@H]2NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000521484084 929245009 /nfs/dbraw/zinc/24/50/09/929245009.db2.gz DVLNEGIWKAHSRK-JOCHJYFZSA-N -1 1 406.507 4.213 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000521495320 929252421 /nfs/dbraw/zinc/25/24/21/929252421.db2.gz UQSVINLESBKMNP-JOCHJYFZSA-N -1 1 402.498 4.143 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3cccnc3)c2)c1 ZINC000521564385 929300291 /nfs/dbraw/zinc/30/02/91/929300291.db2.gz GOBAFIACSIFSLQ-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM CC(=O)c1c(C)cc(C)c(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)c1C ZINC000521734437 929397219 /nfs/dbraw/zinc/39/72/19/929397219.db2.gz DGKOBXWHGVHTBW-UHFFFAOYSA-N -1 1 403.548 4.029 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@@H](C)CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000521741568 929400658 /nfs/dbraw/zinc/40/06/58/929400658.db2.gz ITMFAUNAWSTQFU-OAHLLOKOSA-N -1 1 404.507 4.197 20 0 HIADMM CCC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CC1 ZINC000521987160 929612515 /nfs/dbraw/zinc/61/25/15/929612515.db2.gz KNOUWNYKBWNDBW-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1cc(C)cc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000524844639 929855065 /nfs/dbraw/zinc/85/50/65/929855065.db2.gz KEYRQDHIHHRYCX-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C(C)C)C1CCC1 ZINC000524880785 929870300 /nfs/dbraw/zinc/87/03/00/929870300.db2.gz IKCZXGHQULBPQZ-UHFFFAOYSA-N -1 1 404.507 4.338 20 0 HIADMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000525013331 929974285 /nfs/dbraw/zinc/97/42/85/929974285.db2.gz UPXIOMRDDRSUMK-SANMLTNESA-N -1 1 402.541 4.083 20 0 HIADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525069385 930016097 /nfs/dbraw/zinc/01/60/97/930016097.db2.gz ZZIVDQGKAXFUSF-JXFKEZNVSA-N -1 1 402.516 4.021 20 0 HIADMM CCC(CC)(CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000525100825 930034925 /nfs/dbraw/zinc/03/49/25/930034925.db2.gz PJBVIFBWDNWRNL-UHFFFAOYSA-N -1 1 410.486 4.464 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)c2)cc1 ZINC000525101045 930035768 /nfs/dbraw/zinc/03/57/68/930035768.db2.gz UMWLJXWDJHDCET-NZQKXSOJSA-N -1 1 420.534 4.157 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]3Cc3ccccc3)c2)cc1 ZINC000525101046 930035994 /nfs/dbraw/zinc/03/59/94/930035994.db2.gz UMWLJXWDJHDCET-OFNKIYASSA-N -1 1 420.534 4.157 20 0 HIADMM CC(C)(C)OC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000525228469 930094957 /nfs/dbraw/zinc/09/49/57/930094957.db2.gz KLLSFJVPNHWPKG-UHFFFAOYSA-N -1 1 415.433 4.390 20 0 HIADMM Cc1cccc([C@H](C)CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000525467487 930258352 /nfs/dbraw/zinc/25/83/52/930258352.db2.gz MGHDVQYVJWIATE-GOSISDBHSA-N -1 1 408.523 4.329 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1ccc2ncccc2c1 ZINC000525534334 930308412 /nfs/dbraw/zinc/30/84/12/930308412.db2.gz WRXNACGGSWLUEP-UHFFFAOYSA-N -1 1 406.492 4.412 20 0 HIADMM CCc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000525583724 930345781 /nfs/dbraw/zinc/34/57/81/930345781.db2.gz QALSQSBVWGRNBH-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM C[C@@H]1CCC[C@@H](C)N(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000525618440 930365569 /nfs/dbraw/zinc/36/55/69/930365569.db2.gz VBWQSSFRXWDOFI-IAGOWNOFSA-N -1 1 418.534 4.206 20 0 HIADMM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C[C@H](C)S1 ZINC000525773174 930439464 /nfs/dbraw/zinc/43/94/64/930439464.db2.gz PVNQZNSNAPCJRH-KBPBESRZSA-N -1 1 424.975 4.107 20 0 HIADMM CSc1ncc(Cl)c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)n1 ZINC000526934390 930552543 /nfs/dbraw/zinc/55/25/43/930552543.db2.gz CJOIHXUCUHMHHL-UHFFFAOYSA-N -1 1 416.290 4.415 20 0 HIADMM CC(C)(C)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000530362611 930695575 /nfs/dbraw/zinc/69/55/75/930695575.db2.gz OMAMTCXGWVKNPW-UHFFFAOYSA-N -1 1 400.544 4.386 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000530613940 930772960 /nfs/dbraw/zinc/77/29/60/930772960.db2.gz JXBSFZCGEKCUCB-UHFFFAOYSA-N -1 1 415.544 4.184 20 0 HIADMM Cc1cscc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000530680311 930797755 /nfs/dbraw/zinc/79/77/55/930797755.db2.gz ROTALTXHWNBWHX-UHFFFAOYSA-N -1 1 422.915 4.469 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nc(C2CCCCC2)no1 ZINC000530730125 930810773 /nfs/dbraw/zinc/81/07/73/930810773.db2.gz KYPJPMCQBGNPGK-LLVKDONJSA-N -1 1 403.426 4.176 20 0 HIADMM Cc1cc(C(=O)Nc2ccccc2Sc2ccccc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000531042712 930895373 /nfs/dbraw/zinc/89/53/73/930895373.db2.gz OCPPOOLOJGZLMF-UHFFFAOYSA-N -1 1 404.451 4.148 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccc(O)cc3)c2)c1 ZINC000531080245 930911918 /nfs/dbraw/zinc/91/19/18/930911918.db2.gz UYONJIUOGQOEPP-UHFFFAOYSA-N -1 1 424.522 4.082 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000531099563 930919578 /nfs/dbraw/zinc/91/95/78/930919578.db2.gz VUBKEZTURRWXPG-CQSZACIVSA-N -1 1 410.543 4.418 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)ccc2o1 ZINC000531430426 931054618 /nfs/dbraw/zinc/05/46/18/931054618.db2.gz WCKPTEJPAWKNLC-UHFFFAOYSA-N -1 1 406.463 4.346 20 0 HIADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(-c4cnc(C5CC5)o4)cc3)cc21 ZINC000531522432 931090458 /nfs/dbraw/zinc/09/04/58/931090458.db2.gz NSZDZHKPSNYJNA-UHFFFAOYSA-N -1 1 423.494 4.250 20 0 HIADMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000531526617 931092604 /nfs/dbraw/zinc/09/26/04/931092604.db2.gz DOIYHVRWHZCXFP-UHFFFAOYSA-N -1 1 423.490 4.084 20 0 HIADMM CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000531560586 931103602 /nfs/dbraw/zinc/10/36/02/931103602.db2.gz KYLLWHCVEWMBEH-DJJJIMSYSA-N -1 1 408.907 4.221 20 0 HIADMM Cc1sc([C@@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)nc1-c1ccc(Cl)cc1 ZINC000532034089 931292303 /nfs/dbraw/zinc/29/23/03/931292303.db2.gz IXUOXQFBPVPVGL-LLVKDONJSA-N -1 1 424.913 4.499 20 0 HIADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)c1 ZINC000532110362 931316443 /nfs/dbraw/zinc/31/64/43/931316443.db2.gz WXERNEJFCHGNHZ-UHFFFAOYSA-N -1 1 415.492 4.180 20 0 HIADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc4c(c3)Cc3ccccc3-4)ccc2NC1=O ZINC000532286759 931384871 /nfs/dbraw/zinc/38/48/71/931384871.db2.gz UERGXXMUIKPUBL-UHFFFAOYSA-N -1 1 404.491 4.288 20 0 HIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C)c(Br)c3)c2C)o1 ZINC000533228926 931814477 /nfs/dbraw/zinc/81/44/77/931814477.db2.gz HQLSPTWAOKGQQF-UHFFFAOYSA-N -1 1 410.293 4.158 20 0 HIADMM Cc1ncc(S(=O)(=O)[N-]c2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)s1 ZINC000533627107 931933510 /nfs/dbraw/zinc/93/35/10/931933510.db2.gz BCNQRTYBTVVZJH-UHFFFAOYSA-N -1 1 406.439 4.074 20 0 HIADMM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000533782773 932030674 /nfs/dbraw/zinc/03/06/74/932030674.db2.gz PUBSJWGCSYHJTH-HNNXBMFYSA-N -1 1 415.563 4.092 20 0 HIADMM COc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1Cl ZINC000533923722 932102264 /nfs/dbraw/zinc/10/22/64/932102264.db2.gz MZNZOYNHHMXTQV-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnc2C)cc1 ZINC000534058659 932237010 /nfs/dbraw/zinc/23/70/10/932237010.db2.gz KTTCGXRYVFPPSG-UHFFFAOYSA-N -1 1 412.511 4.273 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)c1 ZINC000534361833 932394619 /nfs/dbraw/zinc/39/46/19/932394619.db2.gz ZFDLLCUCSUUIEI-UHFFFAOYSA-N -1 1 418.428 4.209 20 0 HIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)s3)cs2)n1C ZINC000534677173 932647425 /nfs/dbraw/zinc/64/74/25/932647425.db2.gz LZFKKHHIVNOYKO-UHFFFAOYSA-N -1 1 413.503 4.291 20 0 HIADMM COc1ccsc1S(=O)(=O)[N-]c1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000534683059 932654129 /nfs/dbraw/zinc/65/41/29/932654129.db2.gz XQNWIXHAZVFTHI-UHFFFAOYSA-N -1 1 417.487 4.164 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)cc1 ZINC000535235472 933032945 /nfs/dbraw/zinc/03/29/45/933032945.db2.gz VSAHRKDARMTQQV-UHFFFAOYSA-N -1 1 409.511 4.191 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(c1nccs1)C2)c1ccc2c(c1)CCCC2 ZINC000535347107 933085497 /nfs/dbraw/zinc/08/54/97/933085497.db2.gz YCWDZGJIEGZZNY-UHFFFAOYSA-N -1 1 411.552 4.343 20 0 HIADMM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cc(Cl)c(O)cc1Cl)CC3 ZINC000535400717 933116663 /nfs/dbraw/zinc/11/66/63/933116663.db2.gz WIPNIBFLVSGEPE-UITAMQMPSA-N -1 1 403.221 4.051 20 0 HIADMM CN1CC[C@@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535691787 933346071 /nfs/dbraw/zinc/34/60/71/933346071.db2.gz MEPGGKUSRIHSCR-YWZLYKJASA-N -1 1 410.917 4.013 20 0 HIADMM Cc1ccc(NC(=O)CCCC(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000536145224 933685999 /nfs/dbraw/zinc/68/59/99/933685999.db2.gz KEZJVYFNLXEUPT-UHFFFAOYSA-N -1 1 400.422 4.467 20 0 HIADMM CCCc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)s1 ZINC000537376329 933744154 /nfs/dbraw/zinc/74/41/54/933744154.db2.gz RJALNRSZSPMVJF-UHFFFAOYSA-N -1 1 419.503 4.288 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-c3nccc(C)n3)cc2)c1 ZINC000562911971 945152072 /nfs/dbraw/zinc/15/20/72/945152072.db2.gz HYDXJGIMQBJPRM-UHFFFAOYSA-N -1 1 403.891 4.053 20 0 HIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(Br)ccc3Cl)ccc12 ZINC000537652818 938347684 /nfs/dbraw/zinc/34/76/84/938347684.db2.gz WCPDMKOEHOAGAM-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000537705618 938360005 /nfs/dbraw/zinc/36/00/05/938360005.db2.gz IRDBCMMDHQZTPL-ZBFHGGJFSA-N -1 1 420.488 4.159 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC12CCC2 ZINC000537818247 938383788 /nfs/dbraw/zinc/38/37/88/938383788.db2.gz USDBULNVKVUZMP-MRXNPFEDSA-N -1 1 416.518 4.279 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC12CCC2 ZINC000537830438 938385797 /nfs/dbraw/zinc/38/57/97/938385797.db2.gz KIZRGYHINZSDAQ-MRXNPFEDSA-N -1 1 416.518 4.279 20 0 HIADMM CCc1cnccc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000537995553 938455604 /nfs/dbraw/zinc/45/56/04/938455604.db2.gz LQMQESSVAREDHO-QGZVFWFLSA-N -1 1 423.538 4.244 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000538033454 938474691 /nfs/dbraw/zinc/47/46/91/938474691.db2.gz FUGQIVUMACQLPI-SFHVURJKSA-N -1 1 424.563 4.149 20 0 HIADMM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000538050923 938484061 /nfs/dbraw/zinc/48/40/61/938484061.db2.gz VKMLBELSTSEMGT-AWEZNQCLSA-N -1 1 408.495 4.035 20 0 HIADMM CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc2)cc1 ZINC000538222871 938563246 /nfs/dbraw/zinc/56/32/46/938563246.db2.gz CWKHFRITOGRCAU-LJQANCHMSA-N -1 1 419.529 4.096 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000538299721 938587133 /nfs/dbraw/zinc/58/71/33/938587133.db2.gz PFUSDPUMGVTWTJ-UHFFFAOYSA-N -1 1 423.853 4.137 20 0 HIADMM CC[C@H](C)n1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000538311589 938590002 /nfs/dbraw/zinc/59/00/02/938590002.db2.gz CUUYNDJWJYTWFH-HNNXBMFYSA-N -1 1 412.515 4.216 20 0 HIADMM CC(=O)c1cc(F)c([N-]C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)c(F)c1 ZINC000538538962 938644388 /nfs/dbraw/zinc/64/43/88/938644388.db2.gz DIGZADKVTVXRBH-UHFFFAOYSA-N -1 1 402.376 4.263 20 0 HIADMM CC1(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)Cc2ccccc2C1 ZINC000538814546 938719393 /nfs/dbraw/zinc/71/93/93/938719393.db2.gz GUSZXGOGEIJHJE-UHFFFAOYSA-N -1 1 420.534 4.022 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)cc1F ZINC000538851551 938725149 /nfs/dbraw/zinc/72/51/49/938725149.db2.gz RPGKWKMDLHYSJP-UHFFFAOYSA-N -1 1 404.488 4.322 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1-c1ccc2c(c1)OCCO2 ZINC000538978242 938757425 /nfs/dbraw/zinc/75/74/25/938757425.db2.gz BRWCIVKHKOYJLI-UHFFFAOYSA-N -1 1 413.499 4.081 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(Br)c(C)c2)n[nH]c1-c1ccccc1 ZINC000539113285 938804941 /nfs/dbraw/zinc/80/49/41/938804941.db2.gz PKOFNXXQYGFSHA-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)ccc1C(C)C ZINC000539151864 938811910 /nfs/dbraw/zinc/81/19/10/938811910.db2.gz HMJIQBYGEGRFFX-CQSZACIVSA-N -1 1 408.495 4.035 20 0 HIADMM CC(=O)N(c1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1)c1ccccc1F ZINC000539615832 938888335 /nfs/dbraw/zinc/88/83/35/938888335.db2.gz LBHXWHSIKYRKRP-UHFFFAOYSA-N -1 1 404.492 4.372 20 0 HIADMM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000539721318 938912796 /nfs/dbraw/zinc/91/27/96/938912796.db2.gz KYIMFCVAUQICNI-UHFFFAOYSA-N -1 1 403.229 4.118 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccccc2)c2ccccc12 ZINC000539802599 938937802 /nfs/dbraw/zinc/93/78/02/938937802.db2.gz FKEYUIAFKOOJPC-UHFFFAOYSA-N -1 1 420.494 4.298 20 0 HIADMM O=C(N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000540208584 939127459 /nfs/dbraw/zinc/12/74/59/939127459.db2.gz HGHXAXPOLOUSLQ-MRXNPFEDSA-N -1 1 421.806 4.476 20 0 HIADMM CO[C@@H](c1ccc(Br)cc1)[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000540217117 939133176 /nfs/dbraw/zinc/13/31/76/939133176.db2.gz KFTZDXKQVRTBJU-KPZWWZAWSA-N -1 1 424.316 4.250 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000540236597 939158306 /nfs/dbraw/zinc/15/83/06/939158306.db2.gz XPMBSXFSWSWCNV-GOSISDBHSA-N -1 1 406.573 4.009 20 0 HIADMM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000540252268 939169959 /nfs/dbraw/zinc/16/99/59/939169959.db2.gz IROQKOXJHDTEAG-UHFFFAOYSA-N -1 1 423.466 4.021 20 0 HIADMM Cc1nc(S[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)[n-]c(=O)c1C ZINC000540714606 939346188 /nfs/dbraw/zinc/34/61/88/939346188.db2.gz YPMPZQQFLFSWLH-KWQFWETISA-N -1 1 402.545 4.487 20 0 HIADMM O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc([O-])c(Cl)c1 ZINC000540960266 939421237 /nfs/dbraw/zinc/42/12/37/939421237.db2.gz XEIJVXGCWXDCFY-UHFFFAOYSA-N -1 1 406.920 4.431 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC2CCC(c3ccc(F)cc3)CC2)c(=O)[n-]1 ZINC000541004380 939429462 /nfs/dbraw/zinc/42/94/62/939429462.db2.gz YHNXEBVJRGAART-UHFFFAOYSA-N -1 1 403.523 4.127 20 0 HIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)c2C1 ZINC000541007507 939430002 /nfs/dbraw/zinc/43/00/02/939430002.db2.gz WGCPQEVLSYEHAH-UHFFFAOYSA-N -1 1 400.422 4.112 20 0 HIADMM Cc1cccc([C@H]2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2)c1 ZINC000541504953 939538578 /nfs/dbraw/zinc/53/85/78/939538578.db2.gz QXJRFGBWHDVMQQ-NRFANRHFSA-N -1 1 420.534 4.426 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)CC(C)(C)C3)c2)cc1 ZINC000541511351 939541093 /nfs/dbraw/zinc/54/10/93/939541093.db2.gz KLQCUMWDNFWFRS-INIZCTEOSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC000541676880 939598468 /nfs/dbraw/zinc/59/84/68/939598468.db2.gz NIVKGQUYMJIGDE-UHFFFAOYSA-N -1 1 421.453 4.422 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000541806386 939638789 /nfs/dbraw/zinc/63/87/89/939638789.db2.gz LVXLOPUOZZBDKA-UHFFFAOYSA-N -1 1 405.516 4.354 20 0 HIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OCC)c(OCC)c3)c2C1 ZINC000542864586 939864022 /nfs/dbraw/zinc/86/40/22/939864022.db2.gz DFGAOLZWTHRLNE-UHFFFAOYSA-N -1 1 404.532 4.010 20 0 HIADMM CCc1nc2cc(S(=O)(=O)[N-]c3ccc(-c4ncc5n4CCCC5)cc3)ccc2o1 ZINC000542930891 939880696 /nfs/dbraw/zinc/88/06/96/939880696.db2.gz YJEANBVUJRAUFR-UHFFFAOYSA-N -1 1 422.510 4.391 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c(F)ccc(F)c1F ZINC000543128069 939960133 /nfs/dbraw/zinc/96/01/33/939960133.db2.gz KAPTUHHTOGQGMJ-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000543156870 939979772 /nfs/dbraw/zinc/97/97/72/939979772.db2.gz RYTBYOLNJGPAPV-UHFFFAOYSA-N -1 1 407.739 4.309 20 0 HIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000543159973 939980832 /nfs/dbraw/zinc/98/08/32/939980832.db2.gz KDWLQSXGLWXUPU-UHFFFAOYSA-N -1 1 413.430 4.386 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])C12CCC(CC1)C2 ZINC000543296076 940021038 /nfs/dbraw/zinc/02/10/38/940021038.db2.gz SHWNENPUWCPHDV-UHFFFAOYSA-N -1 1 420.918 4.365 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[C@H]2CCCC[C@@H]12 ZINC000543918971 940245767 /nfs/dbraw/zinc/24/57/67/940245767.db2.gz SDZQXEJXAZCHRL-NQERJWCQSA-N -1 1 416.518 4.277 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Nc3ccccc3F)cc2[nH]1 ZINC000543952379 940267094 /nfs/dbraw/zinc/26/70/94/940267094.db2.gz KSOKMGLKCHNRJE-UHFFFAOYSA-N -1 1 416.409 4.091 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1ccnc(C2CC2)c1 ZINC000544019662 940301323 /nfs/dbraw/zinc/30/13/23/940301323.db2.gz GMPGGESLRPJARX-UHFFFAOYSA-N -1 1 421.522 4.032 20 0 HIADMM Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000544033320 940305784 /nfs/dbraw/zinc/30/57/84/940305784.db2.gz QMLWSKDPJSITPM-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)cc1Br ZINC000544354013 940398715 /nfs/dbraw/zinc/39/87/15/940398715.db2.gz UEOMLCXNACBYDR-UHFFFAOYSA-N -1 1 422.304 4.039 20 0 HIADMM COc1cccc(Cc2nnc([N-]C(=O)c3nc(C)oc3-c3ccccc3)s2)c1 ZINC000544719631 940507007 /nfs/dbraw/zinc/50/70/07/940507007.db2.gz AKHRVKGXZJDXTR-UHFFFAOYSA-N -1 1 406.467 4.353 20 0 HIADMM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1(C)C ZINC000544761333 940511660 /nfs/dbraw/zinc/51/16/60/940511660.db2.gz GHJXZFUQDLXVKE-UZLBHIALSA-N -1 1 414.527 4.067 20 0 HIADMM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000544824663 940517672 /nfs/dbraw/zinc/51/76/72/940517672.db2.gz PUNYOLFTADMPFD-VIFPVBQESA-N -1 1 417.193 4.108 20 0 HIADMM CC(C)[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)c2ccccc2N1 ZINC000544869156 940520550 /nfs/dbraw/zinc/52/05/50/940520550.db2.gz XOIBYRAQRRYXJG-HNNXBMFYSA-N -1 1 422.266 4.094 20 0 HIADMM C[C@@H](Cc1ccsc1)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544889554 940522201 /nfs/dbraw/zinc/52/22/01/940522201.db2.gz CDODYXLMVBYOAA-HNNXBMFYSA-N -1 1 415.540 4.302 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccccn4)no3)c2)c1 ZINC000544932363 940526415 /nfs/dbraw/zinc/52/64/15/940526415.db2.gz QYGMJTMLOVARLP-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1ccnc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)n2)c1 ZINC000544983961 940530877 /nfs/dbraw/zinc/53/08/77/940530877.db2.gz HWQOTRAMJYXCJG-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM COC1(c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)n2)CCC1 ZINC000545105422 940543170 /nfs/dbraw/zinc/54/31/70/940543170.db2.gz QXOKEWIWGVXLGG-UHFFFAOYSA-N -1 1 413.499 4.180 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)c(C)c3)cc21 ZINC000545139297 940548459 /nfs/dbraw/zinc/54/84/59/940548459.db2.gz OGIYAWWOKSGNLJ-UHFFFAOYSA-N -1 1 406.507 4.372 20 0 HIADMM CCOc1cc(C(=O)NCCCc2nc(-c3ccncc3)cs2)cc(Cl)c1[O-] ZINC000545168902 940553590 /nfs/dbraw/zinc/55/35/90/940553590.db2.gz RVRVJIBJJOQRFA-UHFFFAOYSA-N -1 1 417.918 4.325 20 0 HIADMM CCN1c2ccc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)cc2CCC1=O ZINC000545368182 940565985 /nfs/dbraw/zinc/56/59/85/940565985.db2.gz XXKYTRCHDVKWPJ-UHFFFAOYSA-N -1 1 406.507 4.454 20 0 HIADMM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000545451527 940570533 /nfs/dbraw/zinc/57/05/33/940570533.db2.gz OPONALQRNDHBSD-UHFFFAOYSA-N -1 1 408.245 4.198 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000545453531 940570604 /nfs/dbraw/zinc/57/06/04/940570604.db2.gz FAKZIFSPQAEHLU-MRXNPFEDSA-N -1 1 422.266 4.149 20 0 HIADMM CS[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000545511028 940572490 /nfs/dbraw/zinc/57/24/90/940572490.db2.gz IBPXOYWMTNTFCR-SJLPKXTDSA-N -1 1 419.572 4.283 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(CC(F)(F)F)no3)cc2)cc1C ZINC000545584518 940575860 /nfs/dbraw/zinc/57/58/60/940575860.db2.gz IPSWDUUZJCWQAS-UHFFFAOYSA-N -1 1 411.405 4.259 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc([C@H]2CCCc3ccccc32)no1 ZINC000545588702 940576035 /nfs/dbraw/zinc/57/60/35/940576035.db2.gz ITNKXUIRPDFDHS-FQEVSTJZSA-N -1 1 413.481 4.189 20 0 HIADMM C[C@@H](c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1)c1ccncc1 ZINC000545798266 940600367 /nfs/dbraw/zinc/60/03/67/940600367.db2.gz DQYVNQOAWOYPCQ-OAHLLOKOSA-N -1 1 406.467 4.084 20 0 HIADMM COC1(c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)c(C)c4)cc3)n2)CCC1 ZINC000545810563 940606987 /nfs/dbraw/zinc/60/69/87/940606987.db2.gz OYSKBWBKTRLALL-UHFFFAOYSA-N -1 1 417.462 4.011 20 0 HIADMM CCOc1cc(C(=O)N[C@H](c2ccccn2)c2ccccc2OC)cc(Cl)c1[O-] ZINC000545849169 940632766 /nfs/dbraw/zinc/63/27/66/940632766.db2.gz AVLJPGYPZCTGHI-FQEVSTJZSA-N -1 1 412.873 4.367 20 0 HIADMM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC[C@H]2C)cc1C ZINC000545858213 940640590 /nfs/dbraw/zinc/64/05/90/940640590.db2.gz LVGNPFMUTGJVAK-GOSISDBHSA-N -1 1 418.559 4.200 20 0 HIADMM CCOc1cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc(Cl)c1[O-] ZINC000545873905 940647434 /nfs/dbraw/zinc/64/74/34/940647434.db2.gz GBDIRDJNASNHJA-UHFFFAOYSA-N -1 1 415.877 4.144 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc(Cl)c1[O-] ZINC000545876329 940647919 /nfs/dbraw/zinc/64/79/19/940647919.db2.gz GMOBGKBHMPTGQU-UHFFFAOYSA-N -1 1 403.910 4.006 20 0 HIADMM CCOc1cc(C(=O)N(Cc2cc(OC)ccc2OC)C2CC2)cc(Cl)c1[O-] ZINC000545876372 940648008 /nfs/dbraw/zinc/64/80/08/940648008.db2.gz IOMVWSLKBNBOPW-UHFFFAOYSA-N -1 1 405.878 4.266 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc(Cl)c1[O-] ZINC000545878493 940649870 /nfs/dbraw/zinc/64/98/70/940649870.db2.gz QYGXRNFPBZBQAA-UHFFFAOYSA-N -1 1 409.269 4.242 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3cnccc3C)cc2)c1C ZINC000545950841 940663935 /nfs/dbraw/zinc/66/39/35/940663935.db2.gz UWNGSHWNKWVMJE-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000546192945 940726063 /nfs/dbraw/zinc/72/60/63/940726063.db2.gz RXRZAYWEJAODEV-WFASDCNBSA-N -1 1 407.251 4.015 20 0 HIADMM CCN(CCC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000546213634 940731042 /nfs/dbraw/zinc/73/10/42/940731042.db2.gz RNTUNONTRGASQC-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@@H]1CCCc2occc21 ZINC000546217833 940731928 /nfs/dbraw/zinc/73/19/28/940731928.db2.gz QNVPVYBPZJJFTI-LJQANCHMSA-N -1 1 411.483 4.280 20 0 HIADMM Cc1ccccc1CCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546220767 940733335 /nfs/dbraw/zinc/73/33/35/940733335.db2.gz VTSJXKVXWJVPTN-UHFFFAOYSA-N -1 1 409.511 4.160 20 0 HIADMM C[C@@H](Oc1ccccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000564011611 945348265 /nfs/dbraw/zinc/34/82/65/945348265.db2.gz FGNMQMBXTAHQEB-MRXNPFEDSA-N -1 1 411.479 4.255 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(COCC4CC4)no3)ccc2C)c1 ZINC000546446364 940822177 /nfs/dbraw/zinc/82/21/77/940822177.db2.gz FWALSCURDXPEOH-UHFFFAOYSA-N -1 1 413.499 4.081 20 0 HIADMM Cc1ccncc1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000546657056 940866051 /nfs/dbraw/zinc/86/60/51/940866051.db2.gz QIFSRIADJALGJJ-UHFFFAOYSA-N -1 1 415.902 4.121 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(SC)c2C)c1 ZINC000546885987 940901068 /nfs/dbraw/zinc/90/10/68/940901068.db2.gz ABPSXCHJFSMRMG-UHFFFAOYSA-N -1 1 402.335 4.289 20 0 HIADMM CCC(CC)c1nnc(NC(=O)c2ccc(I)c([O-])c2)s1 ZINC000546892799 940903517 /nfs/dbraw/zinc/90/35/17/940903517.db2.gz XFVHIKKQMPUSEF-UHFFFAOYSA-N -1 1 417.272 4.004 20 0 HIADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(I)c([O-])c1 ZINC000546900512 940906610 /nfs/dbraw/zinc/90/66/10/940906610.db2.gz PMALAUJCEJEZSF-DOMZBBRYSA-N -1 1 407.251 4.015 20 0 HIADMM CC(C)(C)Oc1ccccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000546918504 940913444 /nfs/dbraw/zinc/91/34/44/940913444.db2.gz GSWGRTIYGZGMBW-UHFFFAOYSA-N -1 1 411.239 4.426 20 0 HIADMM O=C(NCCCNc1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546926734 940915374 /nfs/dbraw/zinc/91/53/74/940915374.db2.gz OPXHGLWMJLQLNH-UHFFFAOYSA-N -1 1 424.526 4.111 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(CCC(F)(F)F)no2)cc1)c1ccc(F)cc1 ZINC000546992714 940945712 /nfs/dbraw/zinc/94/57/12/940945712.db2.gz VZAFKVAWHOYBLU-UHFFFAOYSA-N -1 1 415.368 4.171 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccccc2COC(C)C)no1 ZINC000547056102 940976757 /nfs/dbraw/zinc/97/67/57/940976757.db2.gz DUPSAHDKPUQJGP-UHFFFAOYSA-N -1 1 417.469 4.118 20 0 HIADMM CCc1cccnc1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000547129560 941005991 /nfs/dbraw/zinc/00/59/91/941005991.db2.gz YQENOBJDMWBMEL-UHFFFAOYSA-N -1 1 424.457 4.301 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(Cc3nnc4ccccn43)cc2)cc(Cl)c1[O-] ZINC000547271733 941049537 /nfs/dbraw/zinc/04/95/37/941049537.db2.gz XGTHGHDSIAGQDW-UHFFFAOYSA-N -1 1 422.872 4.330 20 0 HIADMM CCOc1cc(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000547291501 941053895 /nfs/dbraw/zinc/05/38/95/941053895.db2.gz FMJACIDHSZRKGD-UHFFFAOYSA-N -1 1 411.285 4.246 20 0 HIADMM CC(=O)Nc1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)c(C(=O)[O-])c1 ZINC000547869774 941079263 /nfs/dbraw/zinc/07/92/63/941079263.db2.gz TVQKCMDJEZBSQM-UHFFFAOYSA-N -1 1 424.887 4.012 20 0 HIADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccccc2Cl)n[n-]1 ZINC000548394770 941099411 /nfs/dbraw/zinc/09/94/11/941099411.db2.gz CHTYATVZLVQMAS-TZMCWYRMSA-N -1 1 424.954 4.019 20 0 HIADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccccc2Cl)[n-]1 ZINC000548394770 941099414 /nfs/dbraw/zinc/09/94/14/941099414.db2.gz CHTYATVZLVQMAS-TZMCWYRMSA-N -1 1 424.954 4.019 20 0 HIADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccccc2Cl)n1 ZINC000548394770 941099417 /nfs/dbraw/zinc/09/94/17/941099417.db2.gz CHTYATVZLVQMAS-TZMCWYRMSA-N -1 1 424.954 4.019 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)n[n-]1 ZINC000548723724 941121542 /nfs/dbraw/zinc/12/15/42/941121542.db2.gz JWYONFNFIAYURW-UFYCRDLUSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)[n-]1 ZINC000548723724 941121543 /nfs/dbraw/zinc/12/15/43/941121543.db2.gz JWYONFNFIAYURW-UFYCRDLUSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)n1 ZINC000548723724 941121544 /nfs/dbraw/zinc/12/15/44/941121544.db2.gz JWYONFNFIAYURW-UFYCRDLUSA-N -1 1 420.513 4.142 20 0 HIADMM CO[C@H]1CCCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000549260696 941174781 /nfs/dbraw/zinc/17/47/81/941174781.db2.gz HPGZJCZVCDQZTF-MOPGFXCFSA-N -1 1 422.934 4.285 20 0 HIADMM COc1cccc(-c2nsc(NC([O-])=C(C)c3ccc(C(=O)C(C)C)cc3)n2)c1 ZINC000549301257 941178324 /nfs/dbraw/zinc/17/83/24/941178324.db2.gz SCHMHJSFAOMRCJ-CQSZACIVSA-N -1 1 409.511 4.217 20 0 HIADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1cc(Br)c(Cl)cc1Cl ZINC000550012480 941265547 /nfs/dbraw/zinc/26/55/47/941265547.db2.gz UGWGHXSKXREGMF-UHFFFAOYSA-N -1 1 411.108 4.157 20 0 HIADMM Cc1coc(C)c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000550186457 941295451 /nfs/dbraw/zinc/29/54/51/941295451.db2.gz UAWBWFNZVAKVAV-UHFFFAOYSA-N -1 1 406.410 4.228 20 0 HIADMM CC(C)n1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cn1 ZINC000550572364 941340840 /nfs/dbraw/zinc/34/08/40/941340840.db2.gz VSTXDYSJWYDFPB-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3nccc4[nH]ccc43)no2)cc1)c1ccccc1 ZINC000551073232 941404804 /nfs/dbraw/zinc/40/48/04/941404804.db2.gz UXIGFAVHOGMTCZ-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](CC(C)C)c2cccs2)cc1[N-]S(C)(=O)=O ZINC000551174284 941422092 /nfs/dbraw/zinc/42/20/92/941422092.db2.gz FZPTUISJUMAODY-HNNXBMFYSA-N -1 1 411.549 4.037 20 0 HIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1c(Cl)ccc(F)c1F ZINC000551475114 941487342 /nfs/dbraw/zinc/48/73/42/941487342.db2.gz NDBKTWJOYJYING-UHFFFAOYSA-N -1 1 410.225 4.234 20 0 HIADMM CCOC(=O)c1cc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c(F)cc1C ZINC000551675602 941524576 /nfs/dbraw/zinc/52/45/76/941524576.db2.gz KEDVIDAIADBZJI-UHFFFAOYSA-N -1 1 410.401 4.153 20 0 HIADMM Cc1ccc(C)c(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000551678228 941525295 /nfs/dbraw/zinc/52/52/95/941525295.db2.gz HPCAKNIUTIGBOM-UHFFFAOYSA-N -1 1 412.486 4.425 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)n[n-]1 ZINC000552008281 941567878 /nfs/dbraw/zinc/56/78/78/941567878.db2.gz RKEOPCQTOQJEKO-ZCNNSNEGSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)[n-]1 ZINC000552008281 941567882 /nfs/dbraw/zinc/56/78/82/941567882.db2.gz RKEOPCQTOQJEKO-ZCNNSNEGSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)n1 ZINC000552008281 941567884 /nfs/dbraw/zinc/56/78/84/941567884.db2.gz RKEOPCQTOQJEKO-ZCNNSNEGSA-N -1 1 420.513 4.142 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc2c(c1)NC(=O)CS2 ZINC000552022588 941569946 /nfs/dbraw/zinc/56/99/46/941569946.db2.gz FUOXMOQIKHPCHJ-UHFFFAOYSA-N -1 1 413.680 4.105 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000552022217 941569984 /nfs/dbraw/zinc/56/99/84/941569984.db2.gz JRLQPBJHBZQSJC-UHFFFAOYSA-N -1 1 415.637 4.021 20 0 HIADMM CCOc1cc(C(=O)NCc2ccncc2OCc2ccccc2)cc(Cl)c1[O-] ZINC000552712175 941742981 /nfs/dbraw/zinc/74/29/81/941742981.db2.gz NAJMBNQKJRUCPD-UHFFFAOYSA-N -1 1 412.873 4.348 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)c(=O)[n-]1 ZINC000552725347 941746379 /nfs/dbraw/zinc/74/63/79/941746379.db2.gz MYEFDCNFWNHYMM-KRWDZBQOSA-N -1 1 407.967 4.355 20 0 HIADMM O=C(NC[C@@H]1CC=CCC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000552924545 941804099 /nfs/dbraw/zinc/80/40/99/941804099.db2.gz PSFLTAHAUVMGFO-OAHLLOKOSA-N -1 1 404.919 4.227 20 0 HIADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000553000043 941813757 /nfs/dbraw/zinc/81/37/57/941813757.db2.gz LJHJIWGJCHLCMH-MRXNPFEDSA-N -1 1 422.497 4.433 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CCC[C@@H]1C(F)F ZINC000553625233 941923415 /nfs/dbraw/zinc/92/34/15/941923415.db2.gz SAGHLUPESPVOEF-MRXNPFEDSA-N -1 1 414.861 4.011 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCC3(F)CCC3)c2)c1 ZINC000553721331 941951913 /nfs/dbraw/zinc/95/19/13/941951913.db2.gz VTGQSPLEPWFEGC-UHFFFAOYSA-N -1 1 404.507 4.116 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000554150419 942050553 /nfs/dbraw/zinc/05/05/53/942050553.db2.gz LUECIALNZWCLQB-UHFFFAOYSA-N -1 1 407.451 4.283 20 0 HIADMM Cc1ccccc1CNc1ccccc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000554664391 942192787 /nfs/dbraw/zinc/19/27/87/942192787.db2.gz SOCJJMQQRZGDOP-UHFFFAOYSA-N -1 1 415.497 4.153 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3OC)c2)c1 ZINC000554688625 942199911 /nfs/dbraw/zinc/19/99/11/942199911.db2.gz TVKSXILDHQZNOA-UHFFFAOYSA-N -1 1 424.522 4.255 20 0 HIADMM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000555001437 942350361 /nfs/dbraw/zinc/35/03/61/942350361.db2.gz CGNADDQZGBBVIR-PMACEKPBSA-N -1 1 416.543 4.248 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c2ccccc21 ZINC000555585702 942655530 /nfs/dbraw/zinc/65/55/30/942655530.db2.gz KJSFIKAQENXHCO-HNNXBMFYSA-N -1 1 410.470 4.390 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccsc2)n1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000556073503 942801386 /nfs/dbraw/zinc/80/13/86/942801386.db2.gz PUJHCFVJNDTLTG-UHFFFAOYSA-N -1 1 405.501 4.375 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccsc2)n1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000556073503 942801391 /nfs/dbraw/zinc/80/13/91/942801391.db2.gz PUJHCFVJNDTLTG-UHFFFAOYSA-N -1 1 405.501 4.375 20 0 HIADMM CCc1csc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)n1 ZINC000557007143 942993198 /nfs/dbraw/zinc/99/31/98/942993198.db2.gz XPJYXIQVINHILN-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)c2)cc1 ZINC000557359114 943085792 /nfs/dbraw/zinc/08/57/92/943085792.db2.gz XPYRTWVNAHIISC-YADHBBJMSA-N -1 1 424.497 4.221 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)ccc1F ZINC000557513728 943180762 /nfs/dbraw/zinc/18/07/62/943180762.db2.gz DDNVRTJIGYMYMW-UHFFFAOYSA-N -1 1 405.476 4.017 20 0 HIADMM C[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557762558 943282789 /nfs/dbraw/zinc/28/27/89/943282789.db2.gz LIFYXLWWWLMXQH-BONVTDFDSA-N -1 1 401.331 4.291 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000557883168 943319955 /nfs/dbraw/zinc/31/99/55/943319955.db2.gz SJQYKKLVZSNSJW-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM O=C(NCc1cc2ccccc2[nH]1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000558372952 943531621 /nfs/dbraw/zinc/53/16/21/943531621.db2.gz SRVZLGBNFPEVSD-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM CC(C)(C)[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(F)(F)F ZINC000558638783 943623340 /nfs/dbraw/zinc/62/33/40/943623340.db2.gz DBAXRJHIAGIMOT-QGZVFWFLSA-N -1 1 414.449 4.194 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(F)c2ncccc12 ZINC000559253106 943886351 /nfs/dbraw/zinc/88/63/51/943886351.db2.gz WEJUWLRQYIJRER-UHFFFAOYSA-N -1 1 420.372 4.162 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2cccc(OCc3ccccc3)c2)c(=O)[n-]1 ZINC000559323541 943896328 /nfs/dbraw/zinc/89/63/28/943896328.db2.gz XLTLKCWWJGGDGH-UHFFFAOYSA-N -1 1 423.538 4.041 20 0 HIADMM CC(C)[C@]1(CO)CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000559426076 943947405 /nfs/dbraw/zinc/94/74/05/943947405.db2.gz ZTPJPHJWTDUYER-JOCHJYFZSA-N -1 1 415.534 4.021 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(-c3nccc4[nH]ccc43)no2)cc1 ZINC000559990260 944114981 /nfs/dbraw/zinc/11/49/81/944114981.db2.gz UFWNNYUZFINZGF-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM COCc1ncsc1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000560003393 944125594 /nfs/dbraw/zinc/12/55/94/944125594.db2.gz DVAWJHOGBOTYDF-UHFFFAOYSA-N -1 1 412.949 4.339 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(CCC(C)C)cc3)cc2CC1 ZINC000560007141 944127566 /nfs/dbraw/zinc/12/75/66/944127566.db2.gz FWAVAMBFJJXMCW-UHFFFAOYSA-N -1 1 414.571 4.023 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000560664727 944287013 /nfs/dbraw/zinc/28/70/13/944287013.db2.gz QYXYFUVCLRQPCN-IBGZPJMESA-N -1 1 424.497 4.256 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCC[C@@H]1C(F)F ZINC000561372305 944565729 /nfs/dbraw/zinc/56/57/29/944565729.db2.gz ZVQJYOMLJMXHMH-MRXNPFEDSA-N -1 1 414.861 4.011 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCCSC1)c1ccc(Br)c(Cl)c1Cl ZINC000561558540 944674437 /nfs/dbraw/zinc/67/44/37/944674437.db2.gz YOOOMHZNLIZRLZ-MRVPVSSYSA-N -1 1 419.193 4.177 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC000561684482 944745913 /nfs/dbraw/zinc/74/59/13/944745913.db2.gz GRXIOGULGMUFPP-UHFFFAOYSA-N -1 1 400.525 4.308 20 0 HIADMM COc1ccc2c(c1)c(C(=O)N1CCC[C@H](c3n[n-]c(=O)o3)C1)c(C)n2C1CCCC1 ZINC000561937919 944865492 /nfs/dbraw/zinc/86/54/92/944865492.db2.gz HUPOYKWWUPPQHI-HNNXBMFYSA-N -1 1 424.501 4.182 20 0 HIADMM CCSc1cccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000562144154 944973311 /nfs/dbraw/zinc/97/33/11/944973311.db2.gz HKVMZLACSDFGMH-UHFFFAOYSA-N -1 1 419.355 4.022 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)cn2)n1 ZINC000564549694 945671309 /nfs/dbraw/zinc/67/13/09/945671309.db2.gz LEZYHTGUGSOFMU-UHFFFAOYSA-N -1 1 410.421 4.012 20 0 HIADMM O=C(NCC1(c2ccc(Br)s2)CCC1)c1c(F)ccc([O-])c1F ZINC000565497593 945839056 /nfs/dbraw/zinc/83/90/56/945839056.db2.gz RFQBBYCUKYTCKO-UHFFFAOYSA-N -1 1 402.260 4.346 20 0 HIADMM CC(=O)Nc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000565519895 945844374 /nfs/dbraw/zinc/84/43/74/945844374.db2.gz GUFFHNIGGJDUNU-UHFFFAOYSA-N -1 1 404.385 4.053 20 0 HIADMM Cc1[nH]nc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c1-c1ccccc1 ZINC000565578638 945852538 /nfs/dbraw/zinc/85/25/38/945852538.db2.gz ZQNDXEGUOLQVDV-UHFFFAOYSA-N -1 1 406.305 4.090 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnc(C)nc3C3CC3)cc2)cc1 ZINC000566764711 946092284 /nfs/dbraw/zinc/09/22/84/946092284.db2.gz XLADYFKTRBVEDA-UHFFFAOYSA-N -1 1 422.510 4.024 20 0 HIADMM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)c(C(F)(F)F)n1 ZINC000566986908 946201580 /nfs/dbraw/zinc/20/15/80/946201580.db2.gz NYRODZAUQGGOAB-SMDDNHRTSA-N -1 1 413.465 4.017 20 0 HIADMM O=C([O-])[C@@H](NCc1ccc(OCC(F)(F)F)cc1)c1ccccc1Br ZINC000567052464 946226555 /nfs/dbraw/zinc/22/65/55/946226555.db2.gz PRMPQCINNQARPN-HNNXBMFYSA-N -1 1 418.209 4.306 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000567360128 946314746 /nfs/dbraw/zinc/31/47/46/946314746.db2.gz OIPGTBSJWVGEOI-CQSZACIVSA-N -1 1 415.453 4.170 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(C(C)(C)C2=CCCCC2)no1 ZINC000567555921 946377253 /nfs/dbraw/zinc/37/72/53/946377253.db2.gz DLARJZVWZMRDJO-UHFFFAOYSA-N -1 1 405.502 4.499 20 0 HIADMM CCOc1cc(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)cc(Cl)c1[O-] ZINC000568666088 946643148 /nfs/dbraw/zinc/64/31/48/946643148.db2.gz MFWARXVGPZQZPK-GOSISDBHSA-N -1 1 414.889 4.298 20 0 HIADMM CCC[C@@H](CC)S(=O)(=O)Nc1cc([O-])c(Br)cc1Br ZINC000568828124 946720859 /nfs/dbraw/zinc/72/08/59/946720859.db2.gz MGDIBXDTFGFKSS-MRVPVSSYSA-N -1 1 415.147 4.238 20 0 HIADMM COc1cc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)cc(Cl)c1OC ZINC000568930117 946764033 /nfs/dbraw/zinc/76/40/33/946764033.db2.gz SHSBCFGSWBVREG-UHFFFAOYSA-N -1 1 410.817 4.028 20 0 HIADMM O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000569164544 946829758 /nfs/dbraw/zinc/82/97/58/946829758.db2.gz JOHMVOTXBFWXNU-UHFFFAOYSA-N -1 1 416.449 4.355 20 0 HIADMM O=S(=O)([N-]c1cccc(I)c1)c1ccc(C(F)F)cc1 ZINC000569404563 946868820 /nfs/dbraw/zinc/86/88/20/946868820.db2.gz ZCSKAODROHDCHA-UHFFFAOYSA-N -1 1 409.195 4.030 20 0 HIADMM CN(CCc1ccc(F)cc1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000569916738 947045424 /nfs/dbraw/zinc/04/54/24/947045424.db2.gz WWHGPNROBQKEQE-UHFFFAOYSA-N -1 1 403.251 4.157 20 0 HIADMM CC(C)(C)S(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000570121445 947099602 /nfs/dbraw/zinc/09/96/02/947099602.db2.gz GNGSIQNXJUMEGJ-UHFFFAOYSA-N -1 1 417.499 4.138 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3O)cc2)cc1C ZINC000570833641 947364215 /nfs/dbraw/zinc/36/42/15/947364215.db2.gz FWUKNXDSBVTPAE-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(F)(F)[C@@H](C)C3)cc2)cc1C ZINC000571098370 947498966 /nfs/dbraw/zinc/49/89/66/947498966.db2.gz NLVLXKMXWYVBCS-INIZCTEOSA-N -1 1 422.497 4.222 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n1 ZINC000571212153 947550073 /nfs/dbraw/zinc/55/00/73/947550073.db2.gz JRHGPONVJCDCIF-OAQYLSRUSA-N -1 1 415.515 4.426 20 0 HIADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000571314077 947591370 /nfs/dbraw/zinc/59/13/70/947591370.db2.gz DNVALXROWFXOQP-IBGZPJMESA-N -1 1 422.506 4.244 20 0 HIADMM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)C1 ZINC000571588629 947717534 /nfs/dbraw/zinc/71/75/34/947717534.db2.gz OQPGODPQVKKRJE-WDEREUQCSA-N -1 1 417.731 4.031 20 0 HIADMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000572056349 947835305 /nfs/dbraw/zinc/83/53/05/947835305.db2.gz VXGSSKYOFWWPKU-UHFFFAOYSA-N -1 1 416.886 4.340 20 0 HIADMM O=C1[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)CCN1c1ccccc1C(F)(F)F ZINC000572325770 947885058 /nfs/dbraw/zinc/88/50/58/947885058.db2.gz QKQFGEQXHQPHKW-NSHDSACASA-N -1 1 405.348 4.036 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)c1 ZINC000572556466 947945847 /nfs/dbraw/zinc/94/58/47/947945847.db2.gz MSMTYWYHJZJCLN-UHFFFAOYSA-N -1 1 414.449 4.074 20 0 HIADMM Cc1cccc([C@H]2CCCN2C(=O)c2c([O-])cnc3c(Br)cccc32)n1 ZINC000572815000 948017821 /nfs/dbraw/zinc/01/78/21/948017821.db2.gz UOGLHOAPQPHHMG-MRXNPFEDSA-N -1 1 412.287 4.384 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)c2c([O-])cnc3c(Br)cccc32)c1C ZINC000573488644 948215981 /nfs/dbraw/zinc/21/59/81/948215981.db2.gz GRJFHZONTMOELM-UHFFFAOYSA-N -1 1 414.259 4.222 20 0 HIADMM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC)cc1OC ZINC000573765173 948293104 /nfs/dbraw/zinc/29/31/04/948293104.db2.gz FTNZUFSNLWUPST-INIZCTEOSA-N -1 1 420.531 4.277 20 0 HIADMM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)cc1)c1cc(Cl)sc1Cl ZINC000574302333 948406430 /nfs/dbraw/zinc/40/64/30/948406430.db2.gz XGJXMKNSZWECEN-JTQLQIEISA-N -1 1 400.736 4.110 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)c(Cl)c1 ZINC000574309558 948408492 /nfs/dbraw/zinc/40/84/92/948408492.db2.gz DFPSNRPBBFGCOV-UHFFFAOYSA-N -1 1 402.903 4.444 20 0 HIADMM CO[C@@H](c1noc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n1)C(C)C ZINC000574834217 948538672 /nfs/dbraw/zinc/53/86/72/948538672.db2.gz YFVWPCTVQOAUHC-LJQANCHMSA-N -1 1 415.515 4.498 20 0 HIADMM Cc1ncsc1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000574947986 948562487 /nfs/dbraw/zinc/56/24/87/948562487.db2.gz BBZLDSDBDBEXNK-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000574949216 948563651 /nfs/dbraw/zinc/56/36/51/948563651.db2.gz ORBZOVAWGAOZIP-UHFFFAOYSA-N -1 1 416.886 4.293 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1Cl ZINC000575066841 948583635 /nfs/dbraw/zinc/58/36/35/948583635.db2.gz IQNBYPYOUIBOBX-UHFFFAOYSA-N -1 1 418.858 4.115 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1C(=O)OC(C)C ZINC000575087985 948588267 /nfs/dbraw/zinc/58/82/67/948588267.db2.gz TUQPLIVCIBGNCF-UHFFFAOYSA-N -1 1 400.456 4.016 20 0 HIADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000575840483 948737602 /nfs/dbraw/zinc/73/76/02/948737602.db2.gz WNRGPRPRKUAEMP-JOCHJYFZSA-N -1 1 423.538 4.496 20 0 HIADMM Cc1ccc(Oc2ccccc2NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1 ZINC000575911772 948778950 /nfs/dbraw/zinc/77/89/50/948778950.db2.gz UWXIGBHMZJSZQM-UHFFFAOYSA-N -1 1 402.410 4.097 20 0 HIADMM CC1=C[C@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000435997099 861281543 /nfs/dbraw/zinc/28/15/43/861281543.db2.gz BRKXDGOTYQADGX-ZDUSSCGKSA-N -1 1 422.909 4.318 20 0 HIADMM CC(C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccnc1 ZINC000436088250 861366420 /nfs/dbraw/zinc/36/64/20/861366420.db2.gz KWCGQPTWUVKSKY-OAQYLSRUSA-N -1 1 409.511 4.261 20 0 HIADMM CC(=O)Nc1ccc(C)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000436094811 861377576 /nfs/dbraw/zinc/37/75/76/861377576.db2.gz WTYUFHVQMDINCC-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CC(=O)Nc1ccc(C)c(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000436102283 861387238 /nfs/dbraw/zinc/38/72/38/861387238.db2.gz QQBINCWPVFZUFD-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 ZINC000436196700 861497211 /nfs/dbraw/zinc/49/72/11/861497211.db2.gz JEQXYCOIUQSTIU-CYBMUJFWSA-N -1 1 415.515 4.296 20 0 HIADMM CCc1ccc([C@@H](NC(=O)CSc2nc(CC)cc(=O)[n-]2)c2cccs2)cc1 ZINC000436205389 861505415 /nfs/dbraw/zinc/50/54/15/861505415.db2.gz OGBWHHYPCVWEKX-HXUWFJFHSA-N -1 1 413.568 4.366 20 0 HIADMM Cc1cccc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006270335 845186542 /nfs/dbraw/zinc/18/65/42/845186542.db2.gz CEDLROULFFSFTJ-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000006316603 845190458 /nfs/dbraw/zinc/19/04/58/845190458.db2.gz PKFVRMKNFCURFP-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000006416118 845198343 /nfs/dbraw/zinc/19/83/43/845198343.db2.gz DAJXQMQJTQAGMW-UHFFFAOYSA-N -1 1 410.211 4.457 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000436242270 861549588 /nfs/dbraw/zinc/54/95/88/861549588.db2.gz DYZMUPOCXBOXII-NRFANRHFSA-N -1 1 423.563 4.388 20 0 HIADMM O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc([O-])cc1 ZINC000007361859 845316227 /nfs/dbraw/zinc/31/62/27/845316227.db2.gz PSHMDBLXFVIEQI-UHFFFAOYSA-N -1 1 402.479 4.069 20 0 HIADMM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000007387657 845320894 /nfs/dbraw/zinc/32/08/94/845320894.db2.gz KZLKRBGSQUSKRF-UHFFFAOYSA-N -1 1 408.676 4.441 20 0 HIADMM Cc1ccc(F)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008033308 845463991 /nfs/dbraw/zinc/46/39/91/845463991.db2.gz VUDQTQMUCDUEJS-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000008028782 845464369 /nfs/dbraw/zinc/46/43/69/845464369.db2.gz XONRCODGGOVNGK-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCC3)c2)cc1C ZINC000008033349 845464420 /nfs/dbraw/zinc/46/44/20/845464420.db2.gz LISCNZDDRFFCCX-UHFFFAOYSA-N -1 1 406.935 4.430 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cc1F ZINC000008033402 845465802 /nfs/dbraw/zinc/46/58/02/845465802.db2.gz DUNRWIYFOAMWLD-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM CCCCc1ccc(-n2nnnc2SCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000008229700 845495383 /nfs/dbraw/zinc/49/53/83/845495383.db2.gz ZQVMHVPJWJGXLK-UHFFFAOYSA-N -1 1 408.483 4.109 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000009657874 845579648 /nfs/dbraw/zinc/57/96/48/845579648.db2.gz CGMDOHHNMBVDQD-UHFFFAOYSA-N -1 1 422.539 4.463 20 0 HIADMM CCc1cncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000436281905 861589611 /nfs/dbraw/zinc/58/96/11/861589611.db2.gz QUWQDXSDQUOQFH-UHFFFAOYSA-N -1 1 409.511 4.314 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1ccccc1Br ZINC000010516432 845669375 /nfs/dbraw/zinc/66/93/75/845669375.db2.gz CINNOIMFXYOCHY-UHFFFAOYSA-N -1 1 410.211 4.191 20 0 HIADMM Cc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000010555103 845674123 /nfs/dbraw/zinc/67/41/23/845674123.db2.gz LRWZKWSOXXDABB-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CC(C)c1csc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000010556736 845674626 /nfs/dbraw/zinc/67/46/26/845674626.db2.gz SJSWGBGNCPJDSU-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM Cc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)s1 ZINC000010556658 845674730 /nfs/dbraw/zinc/67/47/30/845674730.db2.gz VOIXNRXECGEXOR-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1cnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1 ZINC000010556625 845674741 /nfs/dbraw/zinc/67/47/41/845674741.db2.gz AJCPBPFZFLYJBD-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCn1c2ccccc2nc1NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000010651875 845686836 /nfs/dbraw/zinc/68/68/36/845686836.db2.gz GOYSEUQUTZTQSF-UHFFFAOYSA-N -1 1 406.515 4.315 20 0 HIADMM CCOc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1OCC ZINC000011656264 845822394 /nfs/dbraw/zinc/82/23/94/845822394.db2.gz IGXAVKNLQNAPMJ-UHFFFAOYSA-N -1 1 412.515 4.352 20 0 HIADMM Cc1cccc(OCCCNC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)c1 ZINC000012397845 845869371 /nfs/dbraw/zinc/86/93/71/845869371.db2.gz GZXHFKFBTNREOI-UHFFFAOYSA-N -1 1 416.934 4.155 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1Cl ZINC000012970376 845901383 /nfs/dbraw/zinc/90/13/83/845901383.db2.gz XWNGTPDXJPWZOT-UHFFFAOYSA-N -1 1 403.262 4.060 20 0 HIADMM Cc1nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3Cl)cc2s1 ZINC000013341426 845915003 /nfs/dbraw/zinc/91/50/03/845915003.db2.gz VSFYSVNWHPPFDV-UHFFFAOYSA-N -1 1 417.295 4.411 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000015414753 846046389 /nfs/dbraw/zinc/04/63/89/846046389.db2.gz UKYSNFGLZAURQV-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM O=C(Nc1ccccc1F)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000015422195 846047433 /nfs/dbraw/zinc/04/74/33/846047433.db2.gz SEWOHADVVPUHFE-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3F)cc2)ccc1F ZINC000015422206 846047577 /nfs/dbraw/zinc/04/75/77/846047577.db2.gz BIRYDOBYMONQLN-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000015434026 846048269 /nfs/dbraw/zinc/04/82/69/846048269.db2.gz RDIYAFCJHSFXRH-HUUCEWRRSA-N -1 1 406.935 4.259 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000015434093 846048350 /nfs/dbraw/zinc/04/83/50/846048350.db2.gz YQRGZFSVNPXYHF-GASCZTMLSA-N -1 1 404.507 4.053 20 0 HIADMM O=C([N-]NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccnc1Cl ZINC000015498810 846054200 /nfs/dbraw/zinc/05/42/00/846054200.db2.gz SONZJNOHGHVKTC-UHFFFAOYSA-N -1 1 402.841 4.025 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c(F)c1 ZINC000015541793 846060249 /nfs/dbraw/zinc/06/02/49/846060249.db2.gz MXOIJFSFIKFVRA-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 ZINC000015563595 846062846 /nfs/dbraw/zinc/06/28/46/846062846.db2.gz JVPYXTAGNQXKDG-UHFFFAOYSA-N -1 1 422.506 4.089 20 0 HIADMM CC[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000015626061 846074913 /nfs/dbraw/zinc/07/49/13/846074913.db2.gz QQBKZKLPBSCZEY-SFHVURJKSA-N -1 1 408.523 4.411 20 0 HIADMM CC[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000015626063 846075369 /nfs/dbraw/zinc/07/53/69/846075369.db2.gz QQBKZKLPBSCZEY-GOSISDBHSA-N -1 1 408.523 4.411 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)CC[C@@H]3C)c2)cc1F ZINC000436331221 861638365 /nfs/dbraw/zinc/63/83/65/861638365.db2.gz GJAWMSDKWXWOSQ-ZBFHGGJFSA-N -1 1 404.507 4.196 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2)cc1 ZINC000015792388 846092289 /nfs/dbraw/zinc/09/22/89/846092289.db2.gz NKYHCWWAANFMQT-VWKPWSFCSA-N -1 1 416.543 4.051 20 0 HIADMM O=C(Nc1cccc2ncccc21)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000015979914 846107241 /nfs/dbraw/zinc/10/72/41/846107241.db2.gz DEWNXANODGSBMR-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000016305284 846150838 /nfs/dbraw/zinc/15/08/38/846150838.db2.gz RENMRYWPWDPEMJ-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(Nc1cc(F)cc(F)c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000016305244 846151048 /nfs/dbraw/zinc/15/10/48/846151048.db2.gz UFIPDBSUYUDSGL-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=S)Nc1ccccc1Cl ZINC000016317179 846151834 /nfs/dbraw/zinc/15/18/34/846151834.db2.gz CCFBZCLQBXITFB-UHFFFAOYSA-N -1 1 402.932 4.403 20 0 HIADMM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000016406701 846167176 /nfs/dbraw/zinc/16/71/76/846167176.db2.gz YRKLSZVCGVDHTO-WDZFZDKYSA-N -1 1 403.838 4.342 20 0 HIADMM COc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)c1 ZINC000016505426 846179789 /nfs/dbraw/zinc/17/97/89/846179789.db2.gz CEYFPKYIIUFQRL-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cccc(Cl)c2)cc1 ZINC000017117379 846230435 /nfs/dbraw/zinc/23/04/35/846230435.db2.gz OJVVHMGDYADIIX-UHFFFAOYSA-N -1 1 416.934 4.366 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c1 ZINC000017167235 846235092 /nfs/dbraw/zinc/23/50/92/846235092.db2.gz ORPIYOUCAVUSPM-IRXDYDNUSA-N -1 1 400.544 4.222 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2ccc(Cl)cc2)c1 ZINC000017297769 846241699 /nfs/dbraw/zinc/24/16/99/846241699.db2.gz DUGZRPSYEOKVDC-UHFFFAOYSA-N -1 1 400.935 4.319 20 0 HIADMM O=S(=O)([N-]c1cccc(C2SCCS2)c1)c1ccc2c(c1)OCCCO2 ZINC000017320062 846246150 /nfs/dbraw/zinc/24/61/50/846246150.db2.gz DJZMTFXATQEWMI-UHFFFAOYSA-N -1 1 409.554 4.127 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000017323509 846246182 /nfs/dbraw/zinc/24/61/82/846246182.db2.gz IVVNVSNNQWDQTQ-KRWDZBQOSA-N -1 1 424.522 4.377 20 0 HIADMM CCCCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000017442065 846252787 /nfs/dbraw/zinc/25/27/87/846252787.db2.gz FYBFALOZYVKKJC-UHFFFAOYSA-N -1 1 418.559 4.041 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3cccs3)cc2)cc1C ZINC000017909792 846275664 /nfs/dbraw/zinc/27/56/64/846275664.db2.gz PLVUAGUKIZPIGO-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)cc1 ZINC000021087104 846402190 /nfs/dbraw/zinc/40/21/90/846402190.db2.gz QQFAVMGLKRIVQU-UHFFFAOYSA-N -1 1 406.511 4.495 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(Br)cc1 ZINC000021216456 846418232 /nfs/dbraw/zinc/41/82/32/846418232.db2.gz YQIGVMJEJKKJHU-UHFFFAOYSA-N -1 1 409.334 4.460 20 0 HIADMM O=C(Nc1cccc2cnccc21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021219248 846418285 /nfs/dbraw/zinc/41/82/85/846418285.db2.gz ZODZREPCYLWHBF-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000021260846 846421809 /nfs/dbraw/zinc/42/18/09/846421809.db2.gz ABYQMWCNCPXUMY-UHFFFAOYSA-N -1 1 424.840 4.062 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CC[C@H]3C)cc2)cc1 ZINC000436355984 861681494 /nfs/dbraw/zinc/68/14/94/861681494.db2.gz FLRLMKKCTPFCRQ-DLBZAZTESA-N -1 1 416.543 4.147 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000021864090 846504772 /nfs/dbraw/zinc/50/47/72/846504772.db2.gz NXDICPKRAQFVEB-HNNXBMFYSA-N -1 1 424.309 4.441 20 0 HIADMM CCCCOCCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000021900534 846508903 /nfs/dbraw/zinc/50/89/03/846508903.db2.gz QNZJRZQDCZEWTB-UHFFFAOYSA-N -1 1 418.559 4.041 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)c(C)c1C ZINC000022197327 846543622 /nfs/dbraw/zinc/54/36/22/846543622.db2.gz QUABYEUHMPLXTJ-UHFFFAOYSA-N -1 1 416.572 4.309 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CSc1ccccc1Cl ZINC000022441778 846571105 /nfs/dbraw/zinc/57/11/05/846571105.db2.gz HPIBSGPROUCEIP-UHFFFAOYSA-N -1 1 417.943 4.325 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cccc(Cl)c1 ZINC000022758969 846615844 /nfs/dbraw/zinc/61/58/44/846615844.db2.gz NIUANGNHGCYHFK-UHFFFAOYSA-N -1 1 420.897 4.265 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000023196658 846668338 /nfs/dbraw/zinc/66/83/38/846668338.db2.gz NKXYTVZRAHXOMW-UHFFFAOYSA-N -1 1 414.556 4.259 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)o1 ZINC000023496699 846709913 /nfs/dbraw/zinc/70/99/13/846709913.db2.gz JGSRIHLRBSCJNB-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000436371928 861711392 /nfs/dbraw/zinc/71/13/92/861711392.db2.gz ULBHXMQMEOGHER-UONOGXRCSA-N -1 1 408.470 4.026 20 0 HIADMM COc1ccc(CN(C)C(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1F ZINC000023734812 846743330 /nfs/dbraw/zinc/74/33/30/846743330.db2.gz PJJPDPAHVDEYBE-UHFFFAOYSA-N -1 1 414.506 4.113 20 0 HIADMM CN(Cc1ccsc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000024383814 846820306 /nfs/dbraw/zinc/82/03/06/846820306.db2.gz SJNWSPDIJFRZMJ-UHFFFAOYSA-N -1 1 422.478 4.099 20 0 HIADMM Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1 ZINC000024434149 846823294 /nfs/dbraw/zinc/82/32/94/846823294.db2.gz PBNNEDHURLXMMH-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H](C)c2cccs2)cc1 ZINC000024656920 846849816 /nfs/dbraw/zinc/84/98/16/846849816.db2.gz FGIZLZUSCFMRGZ-CYBMUJFWSA-N -1 1 402.545 4.287 20 0 HIADMM COCc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000025335288 846962740 /nfs/dbraw/zinc/96/27/40/846962740.db2.gz VDQWDJOUAFRKLK-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM O=C(NCc1ccc(Cl)s1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000025523631 846991836 /nfs/dbraw/zinc/99/18/36/846991836.db2.gz LPQJULQQBORDSM-UHFFFAOYSA-N -1 1 424.906 4.271 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3c3ccncc3)c2)c1 ZINC000026001362 847070344 /nfs/dbraw/zinc/07/03/44/847070344.db2.gz KLOKOCVXXROWHD-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)n2)n[n-]c1=S ZINC000026094441 847082753 /nfs/dbraw/zinc/08/27/53/847082753.db2.gz GNQBXAMYEUBTOU-CABCVRRESA-N -1 1 415.519 4.055 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1OC ZINC000026534764 847165002 /nfs/dbraw/zinc/16/50/02/847165002.db2.gz MAHMOIBRWFAEDH-UHFFFAOYSA-N -1 1 404.513 4.245 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4c[nH]nc43)c2)c1 ZINC000026915808 847221791 /nfs/dbraw/zinc/22/17/91/847221791.db2.gz HQCIDLAHUTVISG-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000027155402 847257444 /nfs/dbraw/zinc/25/74/44/847257444.db2.gz IAGSNYDYQCLUNW-HNNXBMFYSA-N -1 1 406.935 4.403 20 0 HIADMM Cc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000027626907 847329247 /nfs/dbraw/zinc/32/92/47/847329247.db2.gz KPGKSDFSUNMYKS-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)nc1 ZINC000027643919 847331163 /nfs/dbraw/zinc/33/11/63/847331163.db2.gz MSATUMFROBNKLC-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(OC4CCCC4)c3)cc2C[C@H]1C ZINC000028260280 847399963 /nfs/dbraw/zinc/39/99/63/847399963.db2.gz IMTANLDDCNBQCH-OAHLLOKOSA-N -1 1 414.527 4.106 20 0 HIADMM CC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000028270774 847400614 /nfs/dbraw/zinc/40/06/14/847400614.db2.gz XGMZSAHIZOTDAU-GFCCVEGCSA-N -1 1 400.422 4.491 20 0 HIADMM CC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000028282247 847401801 /nfs/dbraw/zinc/40/18/01/847401801.db2.gz VOOVXBRRTPPDSA-GFCCVEGCSA-N -1 1 411.321 4.235 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000028491271 847426730 /nfs/dbraw/zinc/42/67/30/847426730.db2.gz IQYSGEIASGDKRZ-CQSZACIVSA-N -1 1 406.935 4.321 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3Cc3ccccc3)cc2C[C@H]1C ZINC000028686642 847447771 /nfs/dbraw/zinc/44/77/71/847447771.db2.gz GVGBBNBXUGRXDU-QGZVFWFLSA-N -1 1 420.534 4.376 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCCC1)O2)c1ccc2c(c1)OCCCO2 ZINC000028791195 847461394 /nfs/dbraw/zinc/46/13/94/847461394.db2.gz MBZYIFQEWIKVBR-UHFFFAOYSA-N -1 1 417.483 4.080 20 0 HIADMM O=C(Nc1ccccc1O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000028814191 847465148 /nfs/dbraw/zinc/46/51/48/847465148.db2.gz NEAWTVAMPVRJLH-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 ZINC000029066309 847499990 /nfs/dbraw/zinc/49/99/90/847499990.db2.gz RFLBYVBGVMHCOP-UHFFFAOYSA-N -1 1 421.530 4.271 20 0 HIADMM O=C(NC[C@H]1CCCc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000029108022 847507471 /nfs/dbraw/zinc/50/74/71/847507471.db2.gz FRWLLCQYWQZRQL-HXUWFJFHSA-N -1 1 420.534 4.337 20 0 HIADMM O=C(NCCC1CCCC1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000029343904 847549008 /nfs/dbraw/zinc/54/90/08/847549008.db2.gz CRZIMKBFBMEVKI-UHFFFAOYSA-N -1 1 408.470 4.076 20 0 HIADMM CN(CC1CCCCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000029367756 847552574 /nfs/dbraw/zinc/55/25/74/847552574.db2.gz CAPJOXFIPSAYTR-UHFFFAOYSA-N -1 1 404.507 4.279 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000029380283 847556288 /nfs/dbraw/zinc/55/62/88/847556288.db2.gz IPYMPMWCXYYSJJ-UHFFFAOYSA-N -1 1 421.526 4.072 20 0 HIADMM CCCCC[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000029431903 847564020 /nfs/dbraw/zinc/56/40/20/847564020.db2.gz KHRZDCAMVGEWOP-MRXNPFEDSA-N -1 1 406.523 4.254 20 0 HIADMM Cc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)sc1C ZINC000029579726 847583526 /nfs/dbraw/zinc/58/35/26/847583526.db2.gz RUYZYDHROIBTJB-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000029651456 847597041 /nfs/dbraw/zinc/59/70/41/847597041.db2.gz WQUIIGVQJPELOX-UHFFFAOYSA-N -1 1 400.544 4.456 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000029799697 847622455 /nfs/dbraw/zinc/62/24/55/847622455.db2.gz BELPBGPYNWKRPB-UHFFFAOYSA-N -1 1 409.515 4.149 20 0 HIADMM COc1ccc(NC(=O)c2oc3ccc(Cl)cc3c2C)cc1[N-]S(C)(=O)=O ZINC000029817674 847625444 /nfs/dbraw/zinc/62/54/44/847625444.db2.gz VDHOHZZQLCCKGB-UHFFFAOYSA-N -1 1 408.863 4.027 20 0 HIADMM COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000029817560 847625879 /nfs/dbraw/zinc/62/58/79/847625879.db2.gz GQJUSJKRDBAVGH-UHFFFAOYSA-N -1 1 424.522 4.227 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)c2)c1 ZINC000029997855 847667385 /nfs/dbraw/zinc/66/73/85/847667385.db2.gz RWDYRHHAJBJFSZ-YLJYHZDGSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCC[C@@H](C)C3)c2)cc1F ZINC000030015292 847669980 /nfs/dbraw/zinc/66/99/80/847669980.db2.gz UPLAPSGUVXHKSG-RHSMWYFYSA-N -1 1 404.507 4.243 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)c([O-])c2)c1 ZINC000030016914 847671945 /nfs/dbraw/zinc/67/19/45/847671945.db2.gz LZMDIQRWPLMYJA-HNNXBMFYSA-N -1 1 420.465 4.153 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc2)cc1 ZINC000030424619 847715161 /nfs/dbraw/zinc/71/51/61/847715161.db2.gz ZBVHIGISELYISN-MRXNPFEDSA-N -1 1 418.559 4.393 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1)N1CCCC1 ZINC000030530675 847729060 /nfs/dbraw/zinc/72/90/60/847729060.db2.gz VETKNZQGLFNZLT-UHFFFAOYSA-N -1 1 406.507 4.390 20 0 HIADMM O=C1CCCN1Cc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000030531088 847729307 /nfs/dbraw/zinc/72/93/07/847729307.db2.gz VXOISWLNOBVZOX-UHFFFAOYSA-N -1 1 406.507 4.277 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C[C@@H](C)C1 ZINC000436511382 861831426 /nfs/dbraw/zinc/83/14/26/861831426.db2.gz JAIBTWXEIQQLOK-KBPBESRZSA-N -1 1 402.441 4.431 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c32)c1 ZINC000436501321 861826447 /nfs/dbraw/zinc/82/64/47/861826447.db2.gz CFLPBUMSGCCAHQ-UHFFFAOYSA-N -1 1 421.409 4.153 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(NC(C)=O)c(C(F)(F)F)c3)no2)c1 ZINC000436507421 861829361 /nfs/dbraw/zinc/82/93/61/861829361.db2.gz GAKBDJWZFYCFJB-UHFFFAOYSA-N -1 1 420.347 4.045 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)c1 ZINC000436509025 861830161 /nfs/dbraw/zinc/83/01/61/861830161.db2.gz QTWRVYVMJCYEGM-UHFFFAOYSA-N -1 1 405.406 4.426 20 0 HIADMM O=C(NC1CC(c2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436513236 861831228 /nfs/dbraw/zinc/83/12/28/861831228.db2.gz MDSSYKMVWNJVOT-XPJNUEMQSA-N -1 1 414.505 4.212 20 0 HIADMM CO[C@@H](C)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436518513 861831902 /nfs/dbraw/zinc/83/19/02/861831902.db2.gz YXNKKHBNBGEXJD-AOMKIAJQSA-N -1 1 418.493 4.496 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccccc2SCc2cscn2)c1 ZINC000436519212 861833194 /nfs/dbraw/zinc/83/31/94/861833194.db2.gz OCVABSUEUGHVHH-UHFFFAOYSA-N -1 1 400.481 4.180 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000031383005 847872687 /nfs/dbraw/zinc/87/26/87/847872687.db2.gz FYTOPGYBXFFJCI-LAUBAEHRSA-N -1 1 400.544 4.447 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc2)cc1 ZINC000031407572 847878474 /nfs/dbraw/zinc/87/84/74/847878474.db2.gz SBGYWEBDWWXNDV-HNNXBMFYSA-N -1 1 404.532 4.003 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000031435226 847884710 /nfs/dbraw/zinc/88/47/10/847884710.db2.gz XGAAAVWBVAOGOW-OAHLLOKOSA-N -1 1 421.526 4.146 20 0 HIADMM COc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1OCc1cccnc1 ZINC000436537698 861841199 /nfs/dbraw/zinc/84/11/99/861841199.db2.gz SRRDOMACRZOGAP-UHFFFAOYSA-N -1 1 414.845 4.289 20 0 HIADMM CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc3ccccc3c2[O-])CC1)c1ccccc1 ZINC000436540819 861842343 /nfs/dbraw/zinc/84/23/43/861842343.db2.gz UIRLNJBQGSPPSY-OAQYLSRUSA-N -1 1 416.521 4.460 20 0 HIADMM CCN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])C1CCC1 ZINC000436541280 861843214 /nfs/dbraw/zinc/84/32/14/861843214.db2.gz ZFPXKUDCPWWPEE-UHFFFAOYSA-N -1 1 417.303 4.422 20 0 HIADMM O=C(NCC1CCOCC1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436542350 861843657 /nfs/dbraw/zinc/84/36/57/861843657.db2.gz GJCBDODKWWRABL-UHFFFAOYSA-N -1 1 423.296 4.108 20 0 HIADMM CCOc1cc(-c2noc(-c3cn4cc(C)nc4s3)n2)cc(Br)c1[O-] ZINC000436544719 861844583 /nfs/dbraw/zinc/84/45/83/861844583.db2.gz LVWONPLIQVTVQR-UHFFFAOYSA-N -1 1 421.276 4.288 20 0 HIADMM O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436546269 861845551 /nfs/dbraw/zinc/84/55/51/861845551.db2.gz UQEAFCRAGWOTFU-UHFFFAOYSA-N -1 1 411.260 4.329 20 0 HIADMM CSc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])nc1 ZINC000436549316 861846518 /nfs/dbraw/zinc/84/65/18/861846518.db2.gz WAAKRVXWTAZSHL-UHFFFAOYSA-N -1 1 415.421 4.292 20 0 HIADMM C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[n-]1)n1nnc(-c2cccc(F)c2)n1 ZINC000031734375 847940471 /nfs/dbraw/zinc/94/04/71/847940471.db2.gz GUMOTPLKIXARKL-JTQLQIEISA-N -1 1 424.486 4.115 20 0 HIADMM O=C(NCc1cccc(COCc2ccco2)c1)c1cc(Br)ccc1[O-] ZINC000031955518 847969437 /nfs/dbraw/zinc/96/94/37/847969437.db2.gz AWEQHGHYUIQRPP-UHFFFAOYSA-N -1 1 416.271 4.395 20 0 HIADMM CN1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c2ccccc21 ZINC000436558953 861850623 /nfs/dbraw/zinc/85/06/23/861850623.db2.gz RZIONHFQDYWRPV-UHFFFAOYSA-N -1 1 423.419 4.019 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(CC3CCCC3)no2)c(O)c1)c1cccs1 ZINC000436561258 861852229 /nfs/dbraw/zinc/85/22/29/861852229.db2.gz HFTTXHLLKJYWFU-UHFFFAOYSA-N -1 1 405.501 4.037 20 0 HIADMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)cc2N1 ZINC000032097837 847987062 /nfs/dbraw/zinc/98/70/62/847987062.db2.gz QPFKIDTYXRPKIZ-UHFFFAOYSA-N -1 1 422.787 4.183 20 0 HIADMM CSCCCCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436561031 861852350 /nfs/dbraw/zinc/85/23/50/861852350.db2.gz AVAZZEYRPKFTBZ-UHFFFAOYSA-N -1 1 408.470 4.186 20 0 HIADMM COc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1[N-]S(C)(=O)=O ZINC000032157799 847988866 /nfs/dbraw/zinc/98/88/66/847988866.db2.gz IDSOJGVGTDOSSB-UHFFFAOYSA-N -1 1 422.934 4.171 20 0 HIADMM COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc3ccccc3c2[O-])cc1OC ZINC000436566517 861854248 /nfs/dbraw/zinc/85/42/48/861854248.db2.gz MEHBBTWCOXLBFX-UHFFFAOYSA-N -1 1 417.465 4.368 20 0 HIADMM CC[C@@H](C)c1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436567047 861854843 /nfs/dbraw/zinc/85/48/43/861854843.db2.gz RPMGMPJDJCWAJD-FOIQADDNSA-N -1 1 418.497 4.092 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2cccc(Oc3ccccc3)c2)c(=O)[n-]1 ZINC000032362538 848012491 /nfs/dbraw/zinc/01/24/91/848012491.db2.gz WTJDOCATAKPTCX-UHFFFAOYSA-N -1 1 409.511 4.254 20 0 HIADMM CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cc3ccccc3cc2[O-])ccn1 ZINC000436574161 861856563 /nfs/dbraw/zinc/85/65/63/861856563.db2.gz FNMHMAUECJEXPG-UHFFFAOYSA-N -1 1 413.433 4.345 20 0 HIADMM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436597978 861862952 /nfs/dbraw/zinc/86/29/52/861862952.db2.gz XMWFRKIKHFGMRE-UHFFFAOYSA-N -1 1 406.935 4.264 20 0 HIADMM CN(CCc1cccs1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436573326 861857044 /nfs/dbraw/zinc/85/70/44/861857044.db2.gz HBUIXFFNMIZTBW-UHFFFAOYSA-N -1 1 416.449 4.299 20 0 HIADMM COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc(F)ccc2[O-])cc1OC ZINC000436575693 861857645 /nfs/dbraw/zinc/85/76/45/861857645.db2.gz JNIIXLLGQIRFRF-UHFFFAOYSA-N -1 1 415.486 4.495 20 0 HIADMM O=C(N[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1)c1ccc2ccccc2c1 ZINC000436583723 861859441 /nfs/dbraw/zinc/85/94/41/861859441.db2.gz FICIQGVINHUIBW-IBGZPJMESA-N -1 1 408.885 4.233 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1OCC ZINC000032600191 848052481 /nfs/dbraw/zinc/05/24/81/848052481.db2.gz MGJJISKWUIPQLD-UHFFFAOYSA-N -1 1 419.421 4.226 20 0 HIADMM Cc1cccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436587382 861860709 /nfs/dbraw/zinc/86/07/09/861860709.db2.gz YPFGIBHHAOOZNQ-QFIPXVFZSA-N -1 1 402.494 4.117 20 0 HIADMM Cc1cccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436587381 861860863 /nfs/dbraw/zinc/86/08/63/861860863.db2.gz YPFGIBHHAOOZNQ-JOCHJYFZSA-N -1 1 402.494 4.117 20 0 HIADMM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000032690612 848065092 /nfs/dbraw/zinc/06/50/92/848065092.db2.gz GFTSBFGFXVLSNB-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CCN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1nc(C)cs1 ZINC000436591058 861861233 /nfs/dbraw/zinc/86/12/33/861861233.db2.gz PCFUMOLIGKDSAC-UHFFFAOYSA-N -1 1 417.437 4.354 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436591180 861861490 /nfs/dbraw/zinc/86/14/90/861861490.db2.gz PPBNFCXFMUDOMS-ORAYPTAESA-N -1 1 400.425 4.327 20 0 HIADMM COc1ccc(F)c(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c1 ZINC000436591363 861862029 /nfs/dbraw/zinc/86/20/29/861862029.db2.gz WGBYTQAOMUBIAQ-UHFFFAOYSA-N -1 1 416.355 4.323 20 0 HIADMM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc2ccccc2c1[O-] ZINC000032787238 848075655 /nfs/dbraw/zinc/07/56/55/848075655.db2.gz GJIOCGZTKWTXDN-UHFFFAOYSA-N -1 1 421.884 4.488 20 0 HIADMM O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1ccc(Cl)cc1[O-] ZINC000436599360 861864001 /nfs/dbraw/zinc/86/40/01/861864001.db2.gz AQRGYMGEJVEBCF-INIZCTEOSA-N -1 1 405.882 4.260 20 0 HIADMM O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436600764 861864929 /nfs/dbraw/zinc/86/49/29/861864929.db2.gz ICTBTIXCCNSQAB-QFIPXVFZSA-N -1 1 400.478 4.277 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCC[C@H](C)C3)c2)cc1 ZINC000033097997 848108505 /nfs/dbraw/zinc/10/85/05/848108505.db2.gz UCOOTQVAQXPIPK-PXNSSMCTSA-N -1 1 400.544 4.447 20 0 HIADMM COc1ccccc1[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccn1 ZINC000436609827 861868192 /nfs/dbraw/zinc/86/81/92/861868192.db2.gz WMSSZQPDYXJHAT-IBGZPJMESA-N -1 1 413.271 4.078 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)Cc3cccs3)cc2)cc1 ZINC000033203640 848124436 /nfs/dbraw/zinc/12/44/36/848124436.db2.gz ZQLBWMGLNJCANQ-INIZCTEOSA-N -1 1 414.552 4.218 20 0 HIADMM C[C@@H](Cc1cccs1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000033203794 848124544 /nfs/dbraw/zinc/12/45/44/848124544.db2.gz FFNHAQCJOZEUKS-AWEZNQCLSA-N -1 1 418.515 4.049 20 0 HIADMM Cc1cc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c(C)o1 ZINC000436609385 861868447 /nfs/dbraw/zinc/86/84/47/861868447.db2.gz IQFJXFNCWSXKHV-QVKFZJNVSA-N -1 1 406.482 4.237 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)Cc3ccco3)c2)c1 ZINC000033207921 848125572 /nfs/dbraw/zinc/12/55/72/848125572.db2.gz BCZQOVGFCWJMQK-QGZVFWFLSA-N -1 1 412.511 4.058 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436613254 861870317 /nfs/dbraw/zinc/87/03/17/861870317.db2.gz UAIGAKBVVORMDT-SFHVURJKSA-N -1 1 410.857 4.148 20 0 HIADMM Cc1ccc(NC(=S)NCc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000036846497 848168575 /nfs/dbraw/zinc/16/85/75/848168575.db2.gz KMBZPEDTBWEKHQ-UHFFFAOYSA-N -1 1 411.552 4.282 20 0 HIADMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000037408673 848174169 /nfs/dbraw/zinc/17/41/69/848174169.db2.gz ZFOCQWXCRBBPBL-UHFFFAOYSA-N -1 1 423.101 4.460 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Br)cc1 ZINC000037574990 848174219 /nfs/dbraw/zinc/17/42/19/848174219.db2.gz ZQVOGTDJJZDUQX-UHFFFAOYSA-N -1 1 421.110 4.021 20 0 HIADMM O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)C(=O)c1ccc([O-])cc1 ZINC000436625602 861874156 /nfs/dbraw/zinc/87/41/56/861874156.db2.gz FICUSYBUMZVHGL-UHFFFAOYSA-N -1 1 404.209 4.103 20 0 HIADMM COc1ccc2cc(CNC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)ccc2c1 ZINC000042298882 848314309 /nfs/dbraw/zinc/31/43/09/848314309.db2.gz CTUAQZDNZAINHQ-UHFFFAOYSA-N -1 1 418.493 4.359 20 0 HIADMM CCCc1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000436682956 861893624 /nfs/dbraw/zinc/89/36/24/861893624.db2.gz XUMNMEFJHWMZKH-GOSISDBHSA-N -1 1 409.511 4.198 20 0 HIADMM Cc1ccc(NC(=S)NCc2cccs2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000042789209 848354843 /nfs/dbraw/zinc/35/48/43/848354843.db2.gz VSQPDXFVFIEKFW-UHFFFAOYSA-N -1 1 417.581 4.344 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2CCc3c2cccc3O)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436690178 861895029 /nfs/dbraw/zinc/89/50/29/861895029.db2.gz OTTVJUKDDDLBHF-LJQANCHMSA-N -1 1 424.403 4.046 20 0 HIADMM CCOc1cc(-c2noc(C[C@@H]3CCO[C@@H](CC)C3)n2)cc(Br)c1[O-] ZINC000436695975 861895822 /nfs/dbraw/zinc/89/58/22/861895822.db2.gz HAQORPGUVVOFNV-YPMHNXCESA-N -1 1 411.296 4.351 20 0 HIADMM CCOc1ccc(C2=CCN(C(=O)c3ccc(Br)cc3[O-])CC2)cc1 ZINC000436695012 861895840 /nfs/dbraw/zinc/89/58/40/861895840.db2.gz CPEWSGOKCLVHCN-UHFFFAOYSA-N -1 1 402.288 4.483 20 0 HIADMM O=C(N[C@H](c1ccccc1)c1ccccn1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043294605 848405641 /nfs/dbraw/zinc/40/56/41/848405641.db2.gz KMZGAUIEANVKGJ-HSZRJFAPSA-N -1 1 415.493 4.181 20 0 HIADMM C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436719618 861904172 /nfs/dbraw/zinc/90/41/72/861904172.db2.gz AMFZRTZKGVWRSP-GTNSWQLSSA-N -1 1 410.695 4.410 20 0 HIADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000044260081 848538184 /nfs/dbraw/zinc/53/81/84/848538184.db2.gz NKUCPNAXXYFGTF-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000436729498 861914644 /nfs/dbraw/zinc/91/46/44/861914644.db2.gz RQQLMOPIQIFUIT-KRWDZBQOSA-N -1 1 400.194 4.144 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000436728450 861915191 /nfs/dbraw/zinc/91/51/91/861915191.db2.gz LUSVIMHNNOFHII-KRWDZBQOSA-N -1 1 400.194 4.144 20 0 HIADMM O=C(Nc1ccc(Cl)cc1O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436739270 861923325 /nfs/dbraw/zinc/92/33/25/861923325.db2.gz NMYBXGUXNMDYFX-SFHVURJKSA-N -1 1 410.857 4.148 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3cc(C)n(C(C)C)c3C)n2)n[n-]c1=S ZINC000045070555 848630020 /nfs/dbraw/zinc/63/00/20/848630020.db2.gz GEGUCXAPFJFCAG-UHFFFAOYSA-N -1 1 416.576 4.426 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)CCc2ccccc2)cc1 ZINC000045178788 848643351 /nfs/dbraw/zinc/64/33/51/848643351.db2.gz IBMJFQUITXQTTO-UHFFFAOYSA-N -1 1 408.523 4.111 20 0 HIADMM O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045233853 848649784 /nfs/dbraw/zinc/64/97/84/848649784.db2.gz IOUJFZPQLNXXKQ-LJQANCHMSA-N -1 1 414.502 4.373 20 0 HIADMM O=C(N[C@H]1CCSc2ccc(F)cc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045233854 848649908 /nfs/dbraw/zinc/64/99/08/848649908.db2.gz IOUJFZPQLNXXKQ-IBGZPJMESA-N -1 1 414.502 4.373 20 0 HIADMM COc1ccc([C@@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C2CC2)cc1 ZINC000045316764 848664500 /nfs/dbraw/zinc/66/45/00/848664500.db2.gz LKNGNMDCYKURMR-QFIPXVFZSA-N -1 1 408.498 4.156 20 0 HIADMM CCCCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1)C1CC1 ZINC000045369304 848671596 /nfs/dbraw/zinc/67/15/96/848671596.db2.gz ZLNQSRNYATWUJF-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CCC(C)C)cc2)cc1 ZINC000045483199 848683455 /nfs/dbraw/zinc/68/34/55/848683455.db2.gz SLQIBRZMJWRYDU-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2cccnc2)c([O-])c1)c1cccc(Br)c1 ZINC000436751114 861933738 /nfs/dbraw/zinc/93/37/38/861933738.db2.gz IWXLGTAEHKBBHY-UHFFFAOYSA-N -1 1 412.243 4.054 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 ZINC000045643873 848706506 /nfs/dbraw/zinc/70/65/06/848706506.db2.gz YHUPCQBIAAIQHZ-UHFFFAOYSA-N -1 1 408.314 4.444 20 0 HIADMM CCCCOc1cccc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000045884441 848746548 /nfs/dbraw/zinc/74/65/48/848746548.db2.gz IERZTFIETYXKLL-UHFFFAOYSA-N -1 1 410.514 4.376 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc4c(c3)CCO4)n2)cc(Br)c1[O-] ZINC000436766803 861956585 /nfs/dbraw/zinc/95/65/85/861956585.db2.gz FOTLSTMAPFDBLS-UHFFFAOYSA-N -1 1 417.259 4.129 20 0 HIADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-])Nc1ccccc1 ZINC000436761630 861950764 /nfs/dbraw/zinc/95/07/64/861950764.db2.gz MKOSBHPCYKYWKC-IBGZPJMESA-N -1 1 403.482 4.362 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000046611819 848885888 /nfs/dbraw/zinc/88/58/88/848885888.db2.gz HTTLSPZVHFBYIF-LEWJYISDSA-N -1 1 410.470 4.369 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000046611821 848885912 /nfs/dbraw/zinc/88/59/12/848885912.db2.gz HTTLSPZVHFBYIF-SFTDATJTSA-N -1 1 410.470 4.369 20 0 HIADMM COCc1cccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000046612118 848886900 /nfs/dbraw/zinc/88/69/00/848886900.db2.gz NEFHDQPEEWGHIM-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM Cc1cc(N(C)C)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000046673874 848906206 /nfs/dbraw/zinc/90/62/06/848906206.db2.gz MVSOMFICKUGJAK-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM O=C(NCCc1cccc2ccccc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000046771922 848931427 /nfs/dbraw/zinc/93/14/27/848931427.db2.gz SIFLZGXLUDGIAZ-UHFFFAOYSA-N -1 1 402.494 4.392 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc2ccccc2n1 ZINC000046815990 848940855 /nfs/dbraw/zinc/94/08/55/848940855.db2.gz HXJALECIFUMAKT-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000436777452 861969593 /nfs/dbraw/zinc/96/95/93/861969593.db2.gz NMEYEPFAUUATNY-XOBRGWDASA-N -1 1 423.431 4.466 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc(Br)ccc1[O-] ZINC000436781727 861973493 /nfs/dbraw/zinc/97/34/93/861973493.db2.gz FPJOEGPTZCLZPZ-UHFFFAOYSA-N -1 1 403.276 4.079 20 0 HIADMM N#C[C@H](C(=O)C=Cc1ccccc1Cl)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362619 849032469 /nfs/dbraw/zinc/03/24/69/849032469.db2.gz SRESPGKTQGWOLG-ATWMFIQVSA-N -1 1 409.898 4.406 20 0 HIADMM Cc1ccc(-c2nc(CC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cs2)o1 ZINC000047432288 849045015 /nfs/dbraw/zinc/04/50/15/849045015.db2.gz XHBXQIGFHLKRRG-UHFFFAOYSA-N -1 1 410.495 4.081 20 0 HIADMM Cn1c(Cc2csc(NC(=O)c3ccc(OC4CCCC4)cc3)n2)n[n-]c1=S ZINC000047436954 849046365 /nfs/dbraw/zinc/04/63/65/849046365.db2.gz YFSPVOMSNUERRK-UHFFFAOYSA-N -1 1 415.544 4.099 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000436789000 861982531 /nfs/dbraw/zinc/98/25/31/861982531.db2.gz AYKRERWXTWGOSF-UHFFFAOYSA-N -1 1 415.415 4.049 20 0 HIADMM O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)C(=O)c1ccc([O-])cc1 ZINC000436792353 861986910 /nfs/dbraw/zinc/98/69/10/861986910.db2.gz NBHBIMMKTDYEGT-UHFFFAOYSA-N -1 1 407.266 4.174 20 0 HIADMM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436817773 862001247 /nfs/dbraw/zinc/00/12/47/862001247.db2.gz CHXNDRRILMLSFI-SNVBAGLBSA-N -1 1 400.258 4.374 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)C(C1CC1)C1CC1 ZINC000050682450 849403449 /nfs/dbraw/zinc/40/34/49/849403449.db2.gz JFMLHBMVWWVSAR-UHFFFAOYSA-N -1 1 416.518 4.196 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C)C3(C)CCCC3)c([O-])c2)c1 ZINC000436836308 862014494 /nfs/dbraw/zinc/01/44/94/862014494.db2.gz HIPUUIPCFTWBAY-UHFFFAOYSA-N -1 1 412.486 4.066 20 0 HIADMM CS[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])C(C)(C)C ZINC000436844669 862020944 /nfs/dbraw/zinc/02/09/44/862020944.db2.gz OWOXPMZLSGPLPH-MOPGFXCFSA-N -1 1 414.571 4.044 20 0 HIADMM Cc1cc(O[C@H](C)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1Cl ZINC000051286286 849453725 /nfs/dbraw/zinc/45/37/25/849453725.db2.gz ONAHDTALSRIVOM-OAHLLOKOSA-N -1 1 401.890 4.243 20 0 HIADMM COc1cc(-c2nc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)cs2)ccc1O ZINC000436840466 862020018 /nfs/dbraw/zinc/02/00/18/862020018.db2.gz WKLJHQQHPMKANJ-UHFFFAOYSA-N -1 1 415.418 4.331 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000052023583 849542639 /nfs/dbraw/zinc/54/26/39/849542639.db2.gz HLKAQKZYPHQCBN-UHFFFAOYSA-N -1 1 415.964 4.163 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H]2c2ccccc2)cc1 ZINC000053082058 849662336 /nfs/dbraw/zinc/66/23/36/849662336.db2.gz LRFQETNTESHCAW-LJQANCHMSA-N -1 1 408.527 4.370 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@H]1c1ccccc1 ZINC000053082232 849663121 /nfs/dbraw/zinc/66/31/21/849663121.db2.gz FBTPLURZAZANNZ-NRFANRHFSA-N -1 1 410.470 4.214 20 0 HIADMM COc1cc(-c2noc(-c3cccnc3OCC(C)C)n2)cc(Br)c1[O-] ZINC000436877727 862053889 /nfs/dbraw/zinc/05/38/89/862053889.db2.gz HEEVDEYSKGSWKY-UHFFFAOYSA-N -1 1 420.263 4.310 20 0 HIADMM COc1cc(-c2cc3[n-]c(-c4ccc(F)cc4)nc(=O)c3s2)cc(OC)c1OC ZINC000053853406 849769036 /nfs/dbraw/zinc/76/90/36/849769036.db2.gz OBVSDHOYDMDNFB-UHFFFAOYSA-N -1 1 412.442 4.484 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(OCC(F)(F)F)cn3)n2)cc(Cl)c1[O-] ZINC000436878574 862056700 /nfs/dbraw/zinc/05/67/00/862056700.db2.gz KDCMMLUJYXSCHM-UHFFFAOYSA-N -1 1 415.755 4.497 20 0 HIADMM COc1cc(-c2noc([C@H](c3cccnc3)C(C)C)n2)cc(Br)c1[O-] ZINC000436878249 862056753 /nfs/dbraw/zinc/05/67/53/862056753.db2.gz JEJBCAKPOCIXNG-HNNXBMFYSA-N -1 1 404.264 4.396 20 0 HIADMM COc1cc(-c2noc([C@H]3CCC(=O)c4ccccc43)n2)cc(Br)c1[O-] ZINC000436879785 862057537 /nfs/dbraw/zinc/05/75/37/862057537.db2.gz OKXSSKQXIQJHKF-ZDUSSCGKSA-N -1 1 415.243 4.322 20 0 HIADMM CO[C@@H]1CC[C@@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000436896680 862071907 /nfs/dbraw/zinc/07/19/07/862071907.db2.gz TVXBXXZVIOSNDH-TZMCWYRMSA-N -1 1 423.296 4.249 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1 ZINC000436896398 862072520 /nfs/dbraw/zinc/07/25/20/862072520.db2.gz YLYHMDMUWKTEAH-UHFFFAOYSA-N -1 1 416.275 4.006 20 0 HIADMM CN(Cc1cc(F)cc(F)c1)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436910466 862086599 /nfs/dbraw/zinc/08/65/99/862086599.db2.gz OEMATKQTNFQVPV-OAQYLSRUSA-N -1 1 424.447 4.087 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000055592201 850068555 /nfs/dbraw/zinc/06/85/55/850068555.db2.gz RLPWARIJMDFWPT-UHFFFAOYSA-N -1 1 400.422 4.409 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1ccc(Br)cc1 ZINC000055632295 850083613 /nfs/dbraw/zinc/08/36/13/850083613.db2.gz TTYCJQUJCVRJON-UHFFFAOYSA-N -1 1 419.300 4.224 20 0 HIADMM O=c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cn1Cc1ccccc1Cl ZINC000055630098 850083899 /nfs/dbraw/zinc/08/38/99/850083899.db2.gz DXAPZRLBRBUYHB-UHFFFAOYSA-N -1 1 415.323 4.066 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 ZINC000055639483 850087075 /nfs/dbraw/zinc/08/70/75/850087075.db2.gz OMFUCZKVVJVNTL-UHFFFAOYSA-N -1 1 406.935 4.331 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1)c1ccccc1 ZINC000055650413 850096372 /nfs/dbraw/zinc/09/63/72/850096372.db2.gz BHEWABYZWVFMMD-UHFFFAOYSA-N -1 1 400.887 4.417 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 ZINC000055651315 850096515 /nfs/dbraw/zinc/09/65/15/850096515.db2.gz SRQQFOXFXXUHNL-UHFFFAOYSA-N -1 1 400.544 4.285 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)N1CCCCC1 ZINC000055650805 850096697 /nfs/dbraw/zinc/09/66/97/850096697.db2.gz QDONFEUQDHYJSZ-UHFFFAOYSA-N -1 1 412.433 4.132 20 0 HIADMM O=C(c1cccc(Cl)c1)N1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000055654626 850099573 /nfs/dbraw/zinc/09/95/73/850099573.db2.gz IYUKUTKOAAIFHD-UHFFFAOYSA-N -1 1 408.885 4.187 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cccc1NC(=O)c1ccccc1 ZINC000055663242 850103343 /nfs/dbraw/zinc/10/33/43/850103343.db2.gz LELLZNAPYHJWKF-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000436916214 862095680 /nfs/dbraw/zinc/09/56/80/862095680.db2.gz SMBPWZVBWRWBRU-UHFFFAOYSA-N -1 1 415.240 4.127 20 0 HIADMM C/C=C\C[C@H](CO)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436915561 862096140 /nfs/dbraw/zinc/09/61/40/862096140.db2.gz OVCOXCJUBZTFRH-PYLYLYNFSA-N -1 1 423.296 4.008 20 0 HIADMM O=C(N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21)C(=O)c1ccc([O-])cc1 ZINC000436932246 862109899 /nfs/dbraw/zinc/10/98/99/862109899.db2.gz MUXUPOHVUCFCKD-KRWDZBQOSA-N -1 1 413.271 4.013 20 0 HIADMM C[C@@H](c1ccco1)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000056184426 850274767 /nfs/dbraw/zinc/27/47/67/850274767.db2.gz AQSIGNTWIKUWLK-INIZCTEOSA-N -1 1 410.495 4.446 20 0 HIADMM C[C@H](c1ccco1)N(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000056185841 850276075 /nfs/dbraw/zinc/27/60/75/850276075.db2.gz QGGPXGDVFBAPRB-MRXNPFEDSA-N -1 1 410.495 4.446 20 0 HIADMM Cc1ncc(-c2ccc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])cc2)o1 ZINC000436946490 862122933 /nfs/dbraw/zinc/12/29/33/862122933.db2.gz JFKSYAYALJXEED-UHFFFAOYSA-N -1 1 418.409 4.157 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc([C@@H](C)C4CC4)no3)c([O-])c2)c1 ZINC000436951585 862130028 /nfs/dbraw/zinc/13/00/28/862130028.db2.gz GJIAZJFOVUEATM-LBPRGKRZSA-N -1 1 409.442 4.225 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCCc3cccc(O)c32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436951809 862130523 /nfs/dbraw/zinc/13/05/23/862130523.db2.gz SGOXBUWKYJVSDT-UHFFFAOYSA-N -1 1 424.403 4.221 20 0 HIADMM O=C(C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccc([O-])cc1 ZINC000436955552 862135601 /nfs/dbraw/zinc/13/56/01/862135601.db2.gz LBKJLUNJIZEXRQ-UHFFFAOYSA-N -1 1 408.281 4.090 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N([C@H](C)C2CC2)C2CC2)cc1 ZINC000056935735 850519493 /nfs/dbraw/zinc/51/94/93/850519493.db2.gz XNFOGAIOVDBCJH-OAHLLOKOSA-N -1 1 416.518 4.338 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N([C@@H](C)C3CC3)C3CC3)c2)cc1F ZINC000056934471 850519991 /nfs/dbraw/zinc/51/99/91/850519991.db2.gz IQXDEDSUJVQTTD-HNNXBMFYSA-N -1 1 416.518 4.338 20 0 HIADMM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000057119183 850550376 /nfs/dbraw/zinc/55/03/76/850550376.db2.gz BQNGLTQZGWRVHX-UHFFFAOYSA-N -1 1 405.278 4.072 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1Cl ZINC000057121101 850551983 /nfs/dbraw/zinc/55/19/83/850551983.db2.gz GLRAFWUMNKCGBS-UHFFFAOYSA-N -1 1 415.342 4.062 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)c2cccnc12 ZINC000057119742 850552021 /nfs/dbraw/zinc/55/20/21/850552021.db2.gz OMSDXVVMZQHSJL-UHFFFAOYSA-N -1 1 409.467 4.316 20 0 HIADMM Cc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000057212346 850580130 /nfs/dbraw/zinc/58/01/30/850580130.db2.gz LUXLIAUQSHWIGY-UHFFFAOYSA-N -1 1 400.525 4.347 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000057388158 850625308 /nfs/dbraw/zinc/62/53/08/850625308.db2.gz UGFAXTZFKXYZJY-MGPUTAFESA-N -1 1 404.507 4.243 20 0 HIADMM Cc1ccnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c1 ZINC000057625663 850682083 /nfs/dbraw/zinc/68/20/83/850682083.db2.gz HHPZHUWGUWPLKW-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)nc1 ZINC000057632757 850683858 /nfs/dbraw/zinc/68/38/58/850683858.db2.gz KGHQBZFPHJOEQT-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccnn3C3CCCC3)c2)cc1 ZINC000057989646 850749782 /nfs/dbraw/zinc/74/97/82/850749782.db2.gz NZISQFOSMQWKPA-UHFFFAOYSA-N -1 1 424.526 4.360 20 0 HIADMM CCCc1c(NC(=O)c2cc(Br)ccc2[O-])cnn1-c1cc(C)ccn1 ZINC000436985807 862163968 /nfs/dbraw/zinc/16/39/68/862163968.db2.gz PQKOOWDGGZUGQG-UHFFFAOYSA-N -1 1 415.291 4.249 20 0 HIADMM Cn1c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc2ccccc21 ZINC000058144400 850773108 /nfs/dbraw/zinc/77/31/08/850773108.db2.gz RWMSAJVTQHXLRK-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000058167808 850776435 /nfs/dbraw/zinc/77/64/35/850776435.db2.gz DLNPFKZZSHILMZ-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CC(C)OCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436991880 862168073 /nfs/dbraw/zinc/16/80/73/862168073.db2.gz VACQBRGLFMRRTA-UHFFFAOYSA-N -1 1 411.285 4.106 20 0 HIADMM O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1cc(=O)c2ccccc2[n-]1 ZINC000058271786 850789941 /nfs/dbraw/zinc/78/99/41/850789941.db2.gz CVKGZKRWVDKFOR-UHFFFAOYSA-N -1 1 412.424 4.387 20 0 HIADMM CC(C)(C)N1CC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436999621 862172653 /nfs/dbraw/zinc/17/26/53/862172653.db2.gz KJQDLMULSXADMN-RTBURBONSA-N -1 1 418.896 4.098 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3ccc(F)cc32)cc1 ZINC000059006832 850978135 /nfs/dbraw/zinc/97/81/35/850978135.db2.gz KVTATXVDAQKGRK-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc2ncccc21 ZINC000060401552 851087717 /nfs/dbraw/zinc/08/77/17/851087717.db2.gz XUVJHXOKLGOIGD-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412031 851090565 /nfs/dbraw/zinc/09/05/65/851090565.db2.gz PWLOKLVNKFOANR-HXUWFJFHSA-N -1 1 424.547 4.451 20 0 HIADMM COc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060411984 851090821 /nfs/dbraw/zinc/09/08/21/851090821.db2.gz CLVIZVAVXGLGJE-RVDMUPIBSA-N -1 1 422.506 4.456 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCCCCCC1 ZINC000060666238 851182824 /nfs/dbraw/zinc/18/28/24/851182824.db2.gz ZMJHEUZXGYHYOW-UHFFFAOYSA-N -1 1 408.470 4.172 20 0 HIADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SCC(F)(F)F ZINC000060800464 851215972 /nfs/dbraw/zinc/21/59/72/851215972.db2.gz MTMWJRIXNDDBAX-UHFFFAOYSA-N -1 1 423.409 4.288 20 0 HIADMM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1[N-]C(=O)c1cc(C)no1 ZINC000061048882 851282874 /nfs/dbraw/zinc/28/28/74/851282874.db2.gz AEOKDABORCOAJN-UHFFFAOYSA-N -1 1 413.455 4.034 20 0 HIADMM Cc1ccc(-c2ncc(C(=O)[N-]NC(=O)c3cc(-c4ccccc4)on3)s2)c(C)c1 ZINC000061369984 851359045 /nfs/dbraw/zinc/35/90/45/851359045.db2.gz LDQHYLAKFHHLRD-UHFFFAOYSA-N -1 1 418.478 4.157 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3C[C@H]3c3ccccc3)c2)cc1F ZINC000062300304 851527416 /nfs/dbraw/zinc/52/74/16/851527416.db2.gz KRIGKKFCPZEFMB-UNMCSNQZSA-N -1 1 424.497 4.221 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(-c2ccsc2)n1 ZINC000062481842 851561423 /nfs/dbraw/zinc/56/14/23/851561423.db2.gz YCZZPOAIAAGRMN-UHFFFAOYSA-N -1 1 422.553 4.380 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1 ZINC000063173725 851627000 /nfs/dbraw/zinc/62/70/00/851627000.db2.gz SCUAVRMTENRIID-UHFFFAOYSA-N -1 1 415.515 4.234 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1 ZINC000063443200 851691403 /nfs/dbraw/zinc/69/14/03/851691403.db2.gz IHSVONRZWPNMSC-UHFFFAOYSA-N -1 1 416.499 4.175 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H]2C(C)C)cc1 ZINC000063814721 851770793 /nfs/dbraw/zinc/77/07/93/851770793.db2.gz MEDILANJKVDLLA-IBGZPJMESA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cc(Br)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877222 851782847 /nfs/dbraw/zinc/78/28/47/851782847.db2.gz XEJZRISNXOINOZ-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM CSc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877945 851784369 /nfs/dbraw/zinc/78/43/69/851784369.db2.gz ALTFRFCLFKKJQS-UHFFFAOYSA-N -1 1 410.275 4.353 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063912306 851791784 /nfs/dbraw/zinc/79/17/84/851791784.db2.gz VJMMMZGQBPWXFC-UHFFFAOYSA-N -1 1 421.412 4.198 20 0 HIADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1Cl ZINC000063913191 851792532 /nfs/dbraw/zinc/79/25/32/851792532.db2.gz WSENMUARDLQPPB-UHFFFAOYSA-N -1 1 424.803 4.001 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063913034 851792760 /nfs/dbraw/zinc/79/27/60/851792760.db2.gz WKAWTCOBFZUMHJ-LLVKDONJSA-N -1 1 418.412 4.174 20 0 HIADMM COc1ccc(C(C)(C)CNC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000064056969 851822473 /nfs/dbraw/zinc/82/24/73/851822473.db2.gz QREIOOKTZGIZIW-UHFFFAOYSA-N -1 1 424.570 4.409 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000064317302 851869484 /nfs/dbraw/zinc/86/94/84/851869484.db2.gz AXLZKFNOGXBPCA-XMMPIXPASA-N -1 1 406.530 4.422 20 0 HIADMM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000064374078 851881527 /nfs/dbraw/zinc/88/15/27/851881527.db2.gz BLLNHRAGPSYYHF-UHFFFAOYSA-N -1 1 402.516 4.039 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1 ZINC000064477516 851907863 /nfs/dbraw/zinc/90/78/63/851907863.db2.gz IDZDXDJHIKGCKW-UHFFFAOYSA-N -1 1 401.513 4.323 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1OC ZINC000064937699 852026312 /nfs/dbraw/zinc/02/63/12/852026312.db2.gz SLALUXGOGXSNNV-UHFFFAOYSA-N -1 1 407.435 4.425 20 0 HIADMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000064937924 852026325 /nfs/dbraw/zinc/02/63/25/852026325.db2.gz RKMFHXCYDOAAEH-UHFFFAOYSA-N -1 1 418.462 4.110 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)c(F)c1)c1ccc(SC(F)(F)F)cc1 ZINC000064937989 852026486 /nfs/dbraw/zinc/02/64/86/852026486.db2.gz FAQKVEDNAXJFJB-UHFFFAOYSA-N -1 1 417.409 4.424 20 0 HIADMM CCc1ncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)s1 ZINC000065094755 852063006 /nfs/dbraw/zinc/06/30/06/852063006.db2.gz RSMLQMAZUQZRDV-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM COc1ccccc1N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000065160082 852080951 /nfs/dbraw/zinc/08/09/51/852080951.db2.gz NACZFVUGWRJKMY-UHFFFAOYSA-N -1 1 424.522 4.389 20 0 HIADMM C=CCOC(=O)c1sc2[n-]c(-c3nc(OC(C)C)ccc3Cl)nc(=O)c2c1C ZINC000065278973 852098741 /nfs/dbraw/zinc/09/87/41/852098741.db2.gz XEERICFVFIETCV-UHFFFAOYSA-N -1 1 419.890 4.138 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(COCCOc3ccccc3)c2)c1 ZINC000065646743 852208677 /nfs/dbraw/zinc/20/86/77/852208677.db2.gz NYSSBCQRFAKQDO-UHFFFAOYSA-N -1 1 420.465 4.199 20 0 HIADMM CC[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)CCS1 ZINC000437146323 862337821 /nfs/dbraw/zinc/33/78/21/862337821.db2.gz YEHCJEFAKSEBRW-LJQANCHMSA-N -1 1 418.584 4.072 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)cc1CO ZINC000065832722 852274400 /nfs/dbraw/zinc/27/44/00/852274400.db2.gz IUKZKCYXUHABFW-UHFFFAOYSA-N -1 1 415.511 4.319 20 0 HIADMM CCCOc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)cc1OCCC ZINC000065835019 852275739 /nfs/dbraw/zinc/27/57/39/852275739.db2.gz XBULXFPUCABNKL-UHFFFAOYSA-N -1 1 420.531 4.278 20 0 HIADMM O=C([N-]NC(=O)NC1CCCC1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000065920440 852316383 /nfs/dbraw/zinc/31/63/83/852316383.db2.gz QPWFEKHPHOLDLU-UHFFFAOYSA-N -1 1 406.511 4.364 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccs3)cc2)ccc1F ZINC000068869379 852373946 /nfs/dbraw/zinc/37/39/46/852373946.db2.gz YRBOAKHIQSRIMB-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM CCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000068975853 852378555 /nfs/dbraw/zinc/37/85/55/852378555.db2.gz FNKWIZYCPUUIRT-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1ccsc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000069552506 852397191 /nfs/dbraw/zinc/39/71/91/852397191.db2.gz PFMZDOSBQFAPIZ-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1cc(-c2cccs2)[nH]n1 ZINC000072006301 852461010 /nfs/dbraw/zinc/46/10/10/852461010.db2.gz IPECQTGMINEVFQ-UHFFFAOYSA-N -1 1 416.919 4.351 20 0 HIADMM CCOC(=O)C1=C(NC(=O)c2cnc(Cl)c(Cl)c2)[N-]c2ccccc2N=C1C ZINC000072109494 852510857 /nfs/dbraw/zinc/51/08/57/852510857.db2.gz LNQQPISGOZVEHJ-UHFFFAOYSA-N -1 1 419.268 4.111 20 0 HIADMM CN(c1ccccc1)c1ccccc1C(=O)N1CCC[C@H](c2n[n-]c(=S)n2C)C1 ZINC000097569947 852631359 /nfs/dbraw/zinc/63/13/59/852631359.db2.gz TXTZTRMXHSHQJL-INIZCTEOSA-N -1 1 407.543 4.265 20 0 HIADMM Cc1ccc(-n2ncc(C(=O)[N-]c3nnc(C(F)(F)F)s3)c2C(F)(F)F)cc1 ZINC000106081242 852752395 /nfs/dbraw/zinc/75/23/95/852752395.db2.gz JKKYDNUFHOLFAQ-UHFFFAOYSA-N -1 1 421.326 4.322 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@@H]2c2ccccc2C)cc1 ZINC000108533169 852856650 /nfs/dbraw/zinc/85/66/50/852856650.db2.gz CCFPTXMIEDJBBW-LJQANCHMSA-N -1 1 408.527 4.288 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CCC(F)(F)F)cc2)c1 ZINC000108856558 852886131 /nfs/dbraw/zinc/88/61/31/852886131.db2.gz ZZQUMFYLCGUVSB-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110015086 853046665 /nfs/dbraw/zinc/04/66/65/853046665.db2.gz IEELJIQSSGACCD-NRFANRHFSA-N -1 1 424.447 4.087 20 0 HIADMM CCCC[C@H]1CCC[C@H]1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000110776680 853151843 /nfs/dbraw/zinc/15/18/43/853151843.db2.gz FAZXHWPHOCCQEH-MAUKXSAKSA-N -1 1 402.564 4.481 20 0 HIADMM O=S(=O)([N-]CCCOc1cccc2cccnc21)c1cc(Cl)sc1Cl ZINC000111049900 853194841 /nfs/dbraw/zinc/19/48/41/853194841.db2.gz QVRQLDSMYRQQAZ-UHFFFAOYSA-N -1 1 417.339 4.351 20 0 HIADMM CC(=O)Nc1ccc(C)cc1NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000111094603 853200878 /nfs/dbraw/zinc/20/08/78/853200878.db2.gz CKEMWGOEUQLVLY-UHFFFAOYSA-N -1 1 409.515 4.212 20 0 HIADMM CCN(CC)c1nc2sc(C(=O)[N-]c3n[nH]c(-c4cccs4)n3)cc2s1 ZINC000115716966 853261867 /nfs/dbraw/zinc/26/18/67/853261867.db2.gz LDANVDCIZREJHD-UHFFFAOYSA-N -1 1 404.546 4.303 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000116571465 853316108 /nfs/dbraw/zinc/31/61/08/853316108.db2.gz GLKQDZSWYIITNX-FQEVSTJZSA-N -1 1 422.916 4.090 20 0 HIADMM CCC(CC)[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cccs1 ZINC000116575631 853317254 /nfs/dbraw/zinc/31/72/54/853317254.db2.gz DCBWNFQFTCJKKE-OAQYLSRUSA-N -1 1 424.570 4.428 20 0 HIADMM C[C@H](Cc1ccccc1F)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000116612595 853319163 /nfs/dbraw/zinc/31/91/63/853319163.db2.gz MPBCEPBIXFLKRJ-ZHRRBRCNSA-N -1 1 420.484 4.037 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000117729311 853367090 /nfs/dbraw/zinc/36/70/90/853367090.db2.gz DQOMUNQFPOOTTG-FQEVSTJZSA-N -1 1 422.504 4.116 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)cc1 ZINC000140067416 853432406 /nfs/dbraw/zinc/43/24/06/853432406.db2.gz GLJWNQDEHQLUIN-UHFFFAOYSA-N -1 1 416.543 4.257 20 0 HIADMM O=S(=O)([N-]Cc1csc(-c2ccccc2)n1)c1sccc1Br ZINC000195534912 853671116 /nfs/dbraw/zinc/67/11/16/853671116.db2.gz WGZSKEOOYZXPNY-UHFFFAOYSA-N -1 1 415.359 4.113 20 0 HIADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(F)ccc2NC(=O)c2ccccn2)cc1 ZINC000208105785 853806580 /nfs/dbraw/zinc/80/65/80/853806580.db2.gz BMYYMMRWVZHUGO-QBFSEMIESA-N -1 1 411.458 4.194 20 0 HIADMM C/C(=C\C(=O)N1CCC[C@@H](c2n[n-]c(=S)n2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000210033634 853812687 /nfs/dbraw/zinc/81/26/87/853812687.db2.gz OZASTGNKLMEZNR-UTVLIQJLSA-N -1 1 400.592 4.346 20 0 HIADMM CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc(Cl)c1[O-] ZINC000211586571 853816569 /nfs/dbraw/zinc/81/65/69/853816569.db2.gz BOCSJSRLGQMMRQ-QPEQYQDCSA-N -1 1 402.834 4.007 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000215999801 853841351 /nfs/dbraw/zinc/84/13/51/853841351.db2.gz PCXRGIMBIYZQOG-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CCOc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc(Cl)c1[O-] ZINC000216324107 853849615 /nfs/dbraw/zinc/84/96/15/853849615.db2.gz JPFWGBCZLCTBJD-UHFFFAOYSA-N -1 1 409.313 4.056 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000219061379 853867040 /nfs/dbraw/zinc/86/70/40/853867040.db2.gz LREOVPZQYMFEKI-UHFFFAOYSA-N -1 1 401.470 4.171 20 0 HIADMM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)cc1OC ZINC000220293162 853874383 /nfs/dbraw/zinc/87/43/83/853874383.db2.gz UIPACWJWEKWXJD-UHFFFAOYSA-N -1 1 413.776 4.316 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2I)s1 ZINC000230175895 853894315 /nfs/dbraw/zinc/89/43/15/853894315.db2.gz BDYRTYFTNCVTNR-UHFFFAOYSA-N -1 1 413.689 4.115 20 0 HIADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1ccccc1Cl ZINC000230886290 853896003 /nfs/dbraw/zinc/89/60/03/853896003.db2.gz MFWCREBZPNEWHS-SECBINFHSA-N -1 1 401.631 4.141 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000247504480 854157686 /nfs/dbraw/zinc/15/76/86/854157686.db2.gz RANVATFAZYZNKJ-UHFFFAOYSA-N -1 1 401.323 4.430 20 0 HIADMM C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261369465 854236436 /nfs/dbraw/zinc/23/64/36/854236436.db2.gz YKBZBEUPZWKDFK-AWEZNQCLSA-N -1 1 420.431 4.333 20 0 HIADMM CC[C@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000261424570 854258041 /nfs/dbraw/zinc/25/80/41/854258041.db2.gz KAABDPGOXXKPBP-NSHDSACASA-N -1 1 405.829 4.214 20 0 HIADMM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2SC[C@@H]2CC2(Cl)Cl)o1 ZINC000261459136 854269833 /nfs/dbraw/zinc/26/98/33/854269833.db2.gz LINBBRYRWQPBGT-JTQLQIEISA-N -1 1 420.339 4.221 20 0 HIADMM Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1cc2ccccc2cc1[O-] ZINC000263628877 854280677 /nfs/dbraw/zinc/28/06/77/854280677.db2.gz DKDSPTRTLZLYTG-UHFFFAOYSA-N -1 1 404.857 4.457 20 0 HIADMM Cc1nc(-c2ccc(N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)nc2)[n-]c(=O)c1C ZINC000301412171 854386313 /nfs/dbraw/zinc/38/63/13/854386313.db2.gz PQKZFCYDOLWETK-SFHVURJKSA-N -1 1 414.868 4.231 20 0 HIADMM Cc1nc(-c2ccc(N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)nc2)[n-]c(=O)c1C ZINC000301413174 854387200 /nfs/dbraw/zinc/38/72/00/854387200.db2.gz ZFFMSEKKSQKEGO-NRFANRHFSA-N -1 1 424.932 4.464 20 0 HIADMM CC(C)c1noc([N-][C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)n1 ZINC000301461147 854400431 /nfs/dbraw/zinc/40/04/31/854400431.db2.gz JAJZTBMZMJIUDI-KRWDZBQOSA-N -1 1 405.907 4.451 20 0 HIADMM Cc1nc(-c2ccc(NCCc3ccccc3OC(F)(F)F)nc2)[n-]c(=O)c1C ZINC000301585403 854424614 /nfs/dbraw/zinc/42/46/14/854424614.db2.gz AZSXOZQRDPFFRJ-UHFFFAOYSA-N -1 1 404.392 4.414 20 0 HIADMM O=C(CSc1nc2cc(Cl)ccc2o1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000301582215 854424642 /nfs/dbraw/zinc/42/46/42/854424642.db2.gz QOSMZODLPIMJDB-UHFFFAOYSA-N -1 1 412.801 4.131 20 0 HIADMM Cc1csc([C@@H](C)CNc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)n1 ZINC000302125159 854534262 /nfs/dbraw/zinc/53/42/62/854534262.db2.gz IAHRZWFQDTVBIW-NSHDSACASA-N -1 1 424.498 4.141 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(C)CCCCC3)cc2)cc1 ZINC000303021035 854727209 /nfs/dbraw/zinc/72/72/09/854727209.db2.gz RAGWOJVTKIUVNI-UHFFFAOYSA-N -1 1 416.543 4.339 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1OCC(F)F ZINC000303146511 854784682 /nfs/dbraw/zinc/78/46/82/854784682.db2.gz NAUIBNJEHFSYLE-UHFFFAOYSA-N -1 1 406.248 4.202 20 0 HIADMM CC(C)(C)S(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000303429081 854930149 /nfs/dbraw/zinc/93/01/49/854930149.db2.gz CWTOOKSODOARNB-UHFFFAOYSA-N -1 1 417.552 4.354 20 0 HIADMM Cn1cc(-c2ncc(C(=O)[N-]c3nnc(SCc4cccs4)s3)s2)cn1 ZINC000303432607 854933849 /nfs/dbraw/zinc/93/38/49/854933849.db2.gz FDUINLYJMHKLGX-UHFFFAOYSA-N -1 1 420.570 4.001 20 0 HIADMM CSc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000303458098 854958596 /nfs/dbraw/zinc/95/85/96/854958596.db2.gz NAJYPFVJQGHOAG-UHFFFAOYSA-N -1 1 402.497 4.363 20 0 HIADMM O=C(C[C@@H]1CCOc2ccccc21)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000303665643 855117662 /nfs/dbraw/zinc/11/76/62/855117662.db2.gz INENQGVWBPHSFV-KRWDZBQOSA-N -1 1 422.506 4.382 20 0 HIADMM CS[C@@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000303691223 855136571 /nfs/dbraw/zinc/13/65/71/855136571.db2.gz PRNHKBDRMQZXLO-ZWKOTPCHSA-N -1 1 422.547 4.031 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC(c1cccs1)c1cccs1 ZINC000303813714 855216415 /nfs/dbraw/zinc/21/64/15/855216415.db2.gz ZNJSLWXOIZZTJM-UHFFFAOYSA-N -1 1 422.535 4.124 20 0 HIADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000303914849 855287482 /nfs/dbraw/zinc/28/74/82/855287482.db2.gz NEBOBOJANFTIOC-HZPDHXFCSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)c(Br)c1 ZINC000315817164 855379035 /nfs/dbraw/zinc/37/90/35/855379035.db2.gz WPMSYOBWQCSURS-UHFFFAOYSA-N -1 1 403.729 4.278 20 0 HIADMM O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(I)c([O-])c1 ZINC000318860930 855384374 /nfs/dbraw/zinc/38/43/74/855384374.db2.gz OULOMTKCLUZYRA-UHFFFAOYSA-N -1 1 423.128 4.148 20 0 HIADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000320214793 855387083 /nfs/dbraw/zinc/38/70/83/855387083.db2.gz FEPLZPKRRSMOOD-UHFFFAOYSA-N -1 1 404.713 4.092 20 0 HIADMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000324569991 855399780 /nfs/dbraw/zinc/39/97/80/855399780.db2.gz STPXZXWNBQFXTM-UHFFFAOYSA-N -1 1 413.312 4.298 20 0 HIADMM CCCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000326847368 855412149 /nfs/dbraw/zinc/41/21/49/855412149.db2.gz DQXJZAIQEJDXSZ-UHFFFAOYSA-N -1 1 404.271 4.281 20 0 HIADMM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000327707516 855419040 /nfs/dbraw/zinc/41/90/40/855419040.db2.gz YQOJITOXKZKHFE-UHFFFAOYSA-N -1 1 406.262 4.296 20 0 HIADMM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1cc(Br)sc1Cl ZINC000409921311 855725366 /nfs/dbraw/zinc/72/53/66/855725366.db2.gz UJZYLLWHAHROIJ-UHFFFAOYSA-N -1 1 419.753 4.166 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cc2ccccc2s1 ZINC000410286157 855903586 /nfs/dbraw/zinc/90/35/86/855903586.db2.gz GYGBUAPIOGWGNR-LBPRGKRZSA-N -1 1 406.529 4.062 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1Br ZINC000410363753 855951861 /nfs/dbraw/zinc/95/18/61/855951861.db2.gz KHGLDUGKNUCBBW-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c(C)c1 ZINC000410376452 855960361 /nfs/dbraw/zinc/96/03/61/855960361.db2.gz VQFWGXWWWRMNJL-LBPRGKRZSA-N -1 1 412.964 4.439 20 0 HIADMM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410414332 855983723 /nfs/dbraw/zinc/98/37/23/855983723.db2.gz ARKJJAZUWUFLLA-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000425960708 856019849 /nfs/dbraw/zinc/01/98/49/856019849.db2.gz YFRKZGCDCRXADT-UHFFFAOYSA-N -1 1 416.543 4.198 20 0 HIADMM Cc1nc(CNCc2cc(Br)cc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000426651859 856394982 /nfs/dbraw/zinc/39/49/82/856394982.db2.gz PQGOBJKRTZFORU-UHFFFAOYSA-N -1 1 403.198 4.159 20 0 HIADMM CCc1nc(CNCc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)ccc1C(=O)[O-] ZINC000426667053 856403565 /nfs/dbraw/zinc/40/35/65/856403565.db2.gz WZGIGWZBLHGYLH-UHFFFAOYSA-N -1 1 422.529 4.259 20 0 HIADMM COc1cc(Br)c(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1OC ZINC000426722580 856434339 /nfs/dbraw/zinc/43/43/39/856434339.db2.gz IBXQPOVTYGEGNN-XIKOKIGWSA-N -1 1 408.292 4.018 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000426741693 856447027 /nfs/dbraw/zinc/44/70/27/856447027.db2.gz MEUMPPNCMJPXEB-HNNXBMFYSA-N -1 1 402.647 4.166 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000426746224 856451376 /nfs/dbraw/zinc/45/13/76/856451376.db2.gz XQSYQQROBVZTMT-HNNXBMFYSA-N -1 1 418.209 4.392 20 0 HIADMM O=C([O-])[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000426763152 856465178 /nfs/dbraw/zinc/46/51/78/856465178.db2.gz QLDYZCFJHDYAPS-HNNXBMFYSA-N -1 1 409.738 4.475 20 0 HIADMM COc1ccccc1[C@H](NCc1ccc(OCc2cccs2)c(OC)c1)C(=O)[O-] ZINC000426783035 856475896 /nfs/dbraw/zinc/47/58/96/856475896.db2.gz IHTKWTXZBAVMKF-NRFANRHFSA-N -1 1 413.495 4.260 20 0 HIADMM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1OCC(F)(F)F ZINC000426786083 856476906 /nfs/dbraw/zinc/47/69/06/856476906.db2.gz SLGDAPCOTRTZKA-QGZVFWFLSA-N -1 1 401.356 4.081 20 0 HIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(Cl)cc(Cl)c2OC)cc1OC ZINC000426797820 856484729 /nfs/dbraw/zinc/48/47/29/856484729.db2.gz GQXCAULSWYVZOD-OAHLLOKOSA-N -1 1 414.285 4.325 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(C(=O)OC)c2OC(C)C)cc(Cl)c1[O-] ZINC000427019223 856598339 /nfs/dbraw/zinc/59/83/39/856598339.db2.gz ITGFSNVBQUAXKY-UHFFFAOYSA-N -1 1 407.850 4.270 20 0 HIADMM Cc1cnc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)s1 ZINC000427061159 856615922 /nfs/dbraw/zinc/61/59/22/856615922.db2.gz KAATUDXUIMYVSA-HNNXBMFYSA-N -1 1 415.540 4.052 20 0 HIADMM Cc1cnc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)s1 ZINC000427065059 856617769 /nfs/dbraw/zinc/61/77/69/856617769.db2.gz QLDCMECFOWHUDB-OAHLLOKOSA-N -1 1 415.540 4.052 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H]4CCCC[C@H]4C3)cc2)cc1C ZINC000427127014 856655394 /nfs/dbraw/zinc/65/53/94/856655394.db2.gz RZCSUSVLQVKOOA-PMACEKPBSA-N -1 1 412.555 4.366 20 0 HIADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000427192960 856703241 /nfs/dbraw/zinc/70/32/41/856703241.db2.gz LRFSXGMIJOJQBU-UXHICEINSA-N -1 1 418.584 4.282 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)ccc1Br ZINC000427244459 856733283 /nfs/dbraw/zinc/73/32/83/856733283.db2.gz CPTLJNZWVFGMOT-UHFFFAOYSA-N -1 1 413.318 4.177 20 0 HIADMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3F)cc21 ZINC000427295662 856757178 /nfs/dbraw/zinc/75/71/78/856757178.db2.gz PKOFUHMVDWNFKR-UHFFFAOYSA-N -1 1 423.771 4.307 20 0 HIADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2n(C)c1=O ZINC000427323585 856771818 /nfs/dbraw/zinc/77/18/18/856771818.db2.gz YFUCRRXEVAVIAH-UHFFFAOYSA-N -1 1 404.491 4.315 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H]4CCCC[C@@H]4C3)cc2)c1C ZINC000427345988 856783668 /nfs/dbraw/zinc/78/36/68/856783668.db2.gz HJFLOESUNLUAEI-BGYRXZFFSA-N -1 1 412.555 4.366 20 0 HIADMM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(Br)c3Cl)[nH]c2c1 ZINC000427635160 856893305 /nfs/dbraw/zinc/89/33/05/856893305.db2.gz AXCYVFRSZVXAAH-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM O=S(=O)([N-]c1ccnc(N2CCc3ccccc3C2)c1)c1ccc(F)cc1Cl ZINC000427646983 856896949 /nfs/dbraw/zinc/89/69/49/856896949.db2.gz KBVYNSRKZGENFU-UHFFFAOYSA-N -1 1 417.893 4.238 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2s1 ZINC000427754552 856940120 /nfs/dbraw/zinc/94/01/20/856940120.db2.gz CZONPPVCCLUAPW-UHFFFAOYSA-N -1 1 412.418 4.301 20 0 HIADMM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1c(Cl)cc(Cl)cc1Cl ZINC000427819679 856969802 /nfs/dbraw/zinc/96/98/02/856969802.db2.gz SSSFQYJXMWVQGG-LBPRGKRZSA-N -1 1 408.734 4.091 20 0 HIADMM C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCS1 ZINC000427957425 857022680 /nfs/dbraw/zinc/02/26/80/857022680.db2.gz JTYSWILIELCJLW-AWEZNQCLSA-N -1 1 424.975 4.108 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCS[C@H](C)CC3)c2)c1 ZINC000427961014 857023748 /nfs/dbraw/zinc/02/37/48/857023748.db2.gz WRTKIVIXYRGQSP-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ncccc1Cl ZINC000427980176 857031109 /nfs/dbraw/zinc/03/11/09/857031109.db2.gz AIQOSBDMXOPMKT-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000428026860 857047746 /nfs/dbraw/zinc/04/77/46/857047746.db2.gz GUEDFYDHUKIURT-AWEZNQCLSA-N -1 1 418.209 4.024 20 0 HIADMM COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc(Cl)c1[O-] ZINC000428475447 857215555 /nfs/dbraw/zinc/21/55/55/857215555.db2.gz CFYWZAGPDTXCBK-YEORSEQZSA-N -1 1 410.695 4.493 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 ZINC000428708046 857304275 /nfs/dbraw/zinc/30/42/75/857304275.db2.gz LSFYICSEFBPNBW-SECBINFHSA-N -1 1 422.482 4.266 20 0 HIADMM CCC(CC)N(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@H]1CCCc2cccnc21 ZINC000430133546 858047080 /nfs/dbraw/zinc/04/70/80/858047080.db2.gz ARRSVKLLQMZWNA-FQEVSTJZSA-N -1 1 421.545 4.084 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3cccc(O)c3)cc2)c1C ZINC000430248141 858095726 /nfs/dbraw/zinc/09/57/26/858095726.db2.gz XQZPUPJGMGZZNN-QGZVFWFLSA-N -1 1 424.522 4.301 20 0 HIADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(Cl)ccc1Sc1ccc(Cl)cc1 ZINC000430331206 858124573 /nfs/dbraw/zinc/12/45/73/858124573.db2.gz KPSGVDLRAXVHPN-UHFFFAOYSA-N -1 1 406.298 4.077 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)c(CN2CCOCC2)c1)c1ccc2ccccc2c1 ZINC000430349760 858129950 /nfs/dbraw/zinc/12/99/50/858129950.db2.gz FQNVRWYBDXHVKR-UHFFFAOYSA-N -1 1 416.930 4.126 20 0 HIADMM O=S(=O)([N-]c1ccccc1-c1ncc2n1CCCC2)c1ccc2c(c1)CCCO2 ZINC000430371989 858137495 /nfs/dbraw/zinc/13/74/95/858137495.db2.gz RDUXDPYETKIWKX-UHFFFAOYSA-N -1 1 409.511 4.012 20 0 HIADMM COc1cc(Cl)c(Br)cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000430453307 858173102 /nfs/dbraw/zinc/17/31/02/858173102.db2.gz XGEXKNUALNPOQO-UHFFFAOYSA-N -1 1 422.666 4.459 20 0 HIADMM CCOc1cc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc(Cl)c1[O-] ZINC000430454927 858173659 /nfs/dbraw/zinc/17/36/59/858173659.db2.gz NOYSALPYHIKVOS-SIKLNZKXSA-N -1 1 421.896 4.087 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)cc2)cc1 ZINC000430457419 858174365 /nfs/dbraw/zinc/17/43/65/858174365.db2.gz QOOSBMNBYYKSAW-APWZRJJASA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(C(=O)N(C)[C@H]2CC[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000430455828 858174825 /nfs/dbraw/zinc/17/48/25/858174825.db2.gz IRCMVSFBWYGZCR-LIRRHRJNSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)cc1 ZINC000430477172 858187310 /nfs/dbraw/zinc/18/73/10/858187310.db2.gz KPBFJYKHXNBUCH-AUUYWEPGSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1cc(Cl)ccn1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430559074 858217910 /nfs/dbraw/zinc/21/79/10/858217910.db2.gz ROOIIJWAMGIOBO-UHFFFAOYSA-N -1 1 413.058 4.245 20 0 HIADMM CCc1ncsc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430597980 858232038 /nfs/dbraw/zinc/23/20/38/858232038.db2.gz RPTNFDQTQDMFCR-UHFFFAOYSA-N -1 1 412.696 4.215 20 0 HIADMM Cc1cc(O)ccc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430652252 858250069 /nfs/dbraw/zinc/25/00/69/858250069.db2.gz NDYDVCKOPWTAGB-UHFFFAOYSA-N -1 1 407.651 4.210 20 0 HIADMM Cc1nsc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000431278036 858544347 /nfs/dbraw/zinc/54/43/47/858544347.db2.gz ZLPLEJFEGDNLKC-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(-c2cc[nH]n2)s1 ZINC000431341870 858572791 /nfs/dbraw/zinc/57/27/91/858572791.db2.gz NYHZSWIHNSRUMN-UHFFFAOYSA-N -1 1 424.507 4.191 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1cc(Cl)ccn1 ZINC000431461835 858628455 /nfs/dbraw/zinc/62/84/55/858628455.db2.gz VYGFQIGNJOISMT-UHFFFAOYSA-N -1 1 406.461 4.218 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](c3ccccc3)C(F)F)s2)cs1 ZINC000431641517 858707072 /nfs/dbraw/zinc/70/70/72/858707072.db2.gz WAFYUQIQDDJVQN-HNNXBMFYSA-N -1 1 400.497 4.465 20 0 HIADMM COc1cc(NC(=O)CC(C)(C)Cc2ccc(Cl)cc2)ccc1[N-]S(C)(=O)=O ZINC000437732644 863061634 /nfs/dbraw/zinc/06/16/34/863061634.db2.gz VZVGAPHVQCRETJ-UHFFFAOYSA-N -1 1 424.950 4.318 20 0 HIADMM CCCc1nc(C)c(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000432007765 858922265 /nfs/dbraw/zinc/92/22/65/858922265.db2.gz RQMQXLWVRGBERW-UHFFFAOYSA-N -1 1 413.499 4.297 20 0 HIADMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3F)cc21 ZINC000432072628 858968231 /nfs/dbraw/zinc/96/82/31/858968231.db2.gz ATSBXOBPOSEMEI-UHFFFAOYSA-N -1 1 407.772 4.428 20 0 HIADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000432096212 858986484 /nfs/dbraw/zinc/98/64/84/858986484.db2.gz XWDUUKREEZNNEM-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000432211640 859049556 /nfs/dbraw/zinc/04/95/56/859049556.db2.gz YZFFPRFCCIQKMZ-UHFFFAOYSA-N -1 1 402.541 4.279 20 0 HIADMM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc(I)c([O-])c1 ZINC000432266200 859075234 /nfs/dbraw/zinc/07/52/34/859075234.db2.gz DOEWSFHYEZTGAJ-UHFFFAOYSA-N -1 1 419.621 4.062 20 0 HIADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2N(C)C ZINC000432453137 859171074 /nfs/dbraw/zinc/17/10/74/859171074.db2.gz HKDCOGUYRUKGNC-KRWDZBQOSA-N -1 1 404.463 4.066 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@]3(C)CCCS3)c2)c1 ZINC000467572287 881391943 /nfs/dbraw/zinc/39/19/43/881391943.db2.gz ZIGNPDMKNCJSHU-OAQYLSRUSA-N -1 1 418.584 4.120 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000432618403 859257889 /nfs/dbraw/zinc/25/78/89/859257889.db2.gz PKGWEOHSTLOMIM-INIZCTEOSA-N -1 1 416.518 4.340 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC4(CCC4)C[C@H]3C)c2)cc1F ZINC000432621347 859259368 /nfs/dbraw/zinc/25/93/68/859259368.db2.gz KJWZYBNFJHHBQZ-MRXNPFEDSA-N -1 1 416.518 4.340 20 0 HIADMM COC(=O)c1cnc(S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)[n-]1 ZINC000432662621 859279337 /nfs/dbraw/zinc/27/93/37/859279337.db2.gz ZOPJGHNGOVPKGJ-ZDUSSCGKSA-N -1 1 402.303 4.259 20 0 HIADMM COC(=O)c1c[n-]c(S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)n1 ZINC000432662621 859279349 /nfs/dbraw/zinc/27/93/49/859279349.db2.gz ZOPJGHNGOVPKGJ-ZDUSSCGKSA-N -1 1 402.303 4.259 20 0 HIADMM Cc1cc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)n2)ccn1 ZINC000432683127 859292051 /nfs/dbraw/zinc/29/20/51/859292051.db2.gz WZAMXUXARQCMIS-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(C)=O)cc1Cl ZINC000432769532 859350637 /nfs/dbraw/zinc/35/06/37/859350637.db2.gz OYGRPGPRLSGRLQ-UHFFFAOYSA-N -1 1 403.287 4.070 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1Cl ZINC000432777106 859356049 /nfs/dbraw/zinc/35/60/49/859356049.db2.gz BXKHSMVHIKMDFK-UHFFFAOYSA-N -1 1 424.931 4.493 20 0 HIADMM CCOCCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCC1 ZINC000432829204 859376914 /nfs/dbraw/zinc/37/69/14/859376914.db2.gz MWNZVPRPUHNBAO-UHFFFAOYSA-N -1 1 402.516 4.023 20 0 HIADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)cc1Cl ZINC000433169468 859551809 /nfs/dbraw/zinc/55/18/09/859551809.db2.gz XHUSYTBUAMTVIJ-UHFFFAOYSA-N -1 1 409.241 4.339 20 0 HIADMM CCC[C@@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1nn[n-]n1 ZINC000467638507 881435581 /nfs/dbraw/zinc/43/55/81/881435581.db2.gz FOKQQNJXZHHFCC-CQSZACIVSA-N -1 1 424.555 4.252 20 0 HIADMM CCOCCC1(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)CCC1 ZINC000433432657 859700132 /nfs/dbraw/zinc/70/01/32/859700132.db2.gz HPBOWJYFOQERRK-UHFFFAOYSA-N -1 1 416.790 4.039 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)c1 ZINC000433509123 859742632 /nfs/dbraw/zinc/74/26/32/859742632.db2.gz IXLBLIJZXYGRIL-UHFFFAOYSA-N -1 1 400.544 4.455 20 0 HIADMM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000434151919 860148866 /nfs/dbraw/zinc/14/88/66/860148866.db2.gz RWRBXMLMSBZHDH-UHFFFAOYSA-N -1 1 418.478 4.436 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(OCC(F)(F)F)cn2)c1 ZINC000434252083 860231798 /nfs/dbraw/zinc/23/17/98/860231798.db2.gz YUBMZVAGHRGGJL-UHFFFAOYSA-N -1 1 405.170 4.052 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCS1 ZINC000434368577 860315762 /nfs/dbraw/zinc/31/57/62/860315762.db2.gz WQBSPXAASDYKSK-UHFFFAOYSA-N -1 1 424.975 4.108 20 0 HIADMM Cc1nc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)s1 ZINC000434375173 860321163 /nfs/dbraw/zinc/32/11/63/860321163.db2.gz WDFXEMAWBISPRB-UHFFFAOYSA-N -1 1 419.503 4.261 20 0 HIADMM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCS1 ZINC000434379104 860323244 /nfs/dbraw/zinc/32/32/44/860323244.db2.gz IPHADRYDXLQGNV-UHFFFAOYSA-N -1 1 424.975 4.108 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1OC ZINC000435145868 860664435 /nfs/dbraw/zinc/66/44/35/860664435.db2.gz HSTHKTISGMIHEN-UHFFFAOYSA-N -1 1 416.524 4.359 20 0 HIADMM Cc1ccc(-c2cc(-c3nnc(SCc4nn[n-]n4)o3)c3ccccc3n2)cc1 ZINC000435225195 860699181 /nfs/dbraw/zinc/69/91/81/860699181.db2.gz IEQISSYKLRFWIW-UHFFFAOYSA-N -1 1 401.455 4.066 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435437845 860798794 /nfs/dbraw/zinc/79/87/94/860798794.db2.gz MQIZFKLEJIGVJY-CJNGLKHVSA-N -1 1 404.290 4.331 20 0 HIADMM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435442463 860800051 /nfs/dbraw/zinc/80/00/51/860800051.db2.gz IREBMBGDSPDWDO-AWEZNQCLSA-N -1 1 420.333 4.213 20 0 HIADMM CC[C@@](C)(OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000435470497 860810101 /nfs/dbraw/zinc/81/01/01/860810101.db2.gz ZONYHXBUXBKJJK-LJQANCHMSA-N -1 1 410.923 4.203 20 0 HIADMM C[C@@H]1[C@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000435604055 860907035 /nfs/dbraw/zinc/90/70/35/860907035.db2.gz BXHGVDDFDRBGHN-IMRHEYAYSA-N -1 1 420.534 4.153 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000435781987 861056939 /nfs/dbraw/zinc/05/69/39/861056939.db2.gz LZYOPDVVSFHLST-UHFFFAOYSA-N -1 1 419.510 4.169 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1c(Cl)cccc1C(F)(F)F ZINC000467793987 881618183 /nfs/dbraw/zinc/61/81/83/881618183.db2.gz CSEXGRXOQUJBEN-ZIAGYGMSSA-N -1 1 407.845 4.018 20 0 HIADMM CCc1ncsc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000438241151 863697335 /nfs/dbraw/zinc/69/73/35/863697335.db2.gz WTQCNLGNOBNATA-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCCC(C)(C)C3)c2)cc1 ZINC000438509084 863931457 /nfs/dbraw/zinc/93/14/57/863931457.db2.gz XNAGDUYTZBMUCG-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000438589064 864019680 /nfs/dbraw/zinc/01/96/80/864019680.db2.gz GRCHORJQEJQCMO-KRWDZBQOSA-N -1 1 414.449 4.194 20 0 HIADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000438606653 864032713 /nfs/dbraw/zinc/03/27/13/864032713.db2.gz LOOUUQPVXXEHMF-QGZVFWFLSA-N -1 1 414.449 4.194 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438689587 864156643 /nfs/dbraw/zinc/15/66/43/864156643.db2.gz WJZPMPBGMRVDRV-FPOVZHCZSA-N -1 1 416.525 4.013 20 0 HIADMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)ccc2n1 ZINC000438756862 864251518 /nfs/dbraw/zinc/25/15/18/864251518.db2.gz QTOKXLRTEDUMIR-UHFFFAOYSA-N -1 1 412.284 4.320 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1Br ZINC000438763468 864259256 /nfs/dbraw/zinc/25/92/56/864259256.db2.gz GZCMFDDIEIZJIE-UHFFFAOYSA-N -1 1 404.289 4.015 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c[nH]nc3c2)cc1 ZINC000438765916 864260662 /nfs/dbraw/zinc/26/06/62/864260662.db2.gz PYHABFYGATUVLQ-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccc(Br)c(F)c1 ZINC000438770797 864266656 /nfs/dbraw/zinc/26/66/56/864266656.db2.gz GNNBJZJLFAKYOV-UHFFFAOYSA-N -1 1 412.202 4.494 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cn2)cc1)c1ccc2c(c1)COC2 ZINC000438772859 864267482 /nfs/dbraw/zinc/26/74/82/864267482.db2.gz KZYKJLYGXXLQFF-UHFFFAOYSA-N -1 1 402.859 4.358 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000438785290 864277760 /nfs/dbraw/zinc/27/77/60/864277760.db2.gz KUYPUBZIJXGRQX-UHFFFAOYSA-N -1 1 422.222 4.471 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1CO ZINC000438791692 864284339 /nfs/dbraw/zinc/28/43/39/864284339.db2.gz NTVMIQLASUQJNM-UHFFFAOYSA-N -1 1 420.556 4.286 20 0 HIADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000438817661 864310921 /nfs/dbraw/zinc/31/09/21/864310921.db2.gz ZMYXVYMDPPJENS-UHFFFAOYSA-N -1 1 402.285 4.314 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(CC3CC3)no2)cc1)c1ccc(F)c(Cl)c1 ZINC000438820290 864314001 /nfs/dbraw/zinc/31/40/01/864314001.db2.gz OXHJMIXMKMOFRP-UHFFFAOYSA-N -1 1 407.854 4.282 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCCC2(CCCC2)C1 ZINC000438826146 864321159 /nfs/dbraw/zinc/32/11/59/864321159.db2.gz YQXIVZGNGOJTSC-OAQYLSRUSA-N -1 1 406.526 4.333 20 0 HIADMM CCN(Cc1ccccn1)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000439009864 864461717 /nfs/dbraw/zinc/46/17/17/864461717.db2.gz MNLYHWVUWQKTQI-UHFFFAOYSA-N -1 1 423.538 4.162 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)C3(C)CC3)cc2)c1 ZINC000439025085 864479932 /nfs/dbraw/zinc/47/99/32/864479932.db2.gz HILXZMDNKMQZTJ-KRWDZBQOSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cc(O)c(C(C)C)cc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000439222275 864639211 /nfs/dbraw/zinc/63/92/11/864639211.db2.gz JCVNXGKOLZYENJ-UHFFFAOYSA-N -1 1 406.486 4.261 20 0 HIADMM Cc1cscc1NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000439484549 864848530 /nfs/dbraw/zinc/84/85/30/864848530.db2.gz FQOZMKVODFILTF-UHFFFAOYSA-N -1 1 401.513 4.179 20 0 HIADMM CCN(Cc1ccccc1Br)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000439548353 864875947 /nfs/dbraw/zinc/87/59/47/864875947.db2.gz KYJGPZKQHLPKIF-UHFFFAOYSA-N -1 1 400.276 4.069 20 0 HIADMM CCN(Cc1ccccc1Br)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000439548353 864875949 /nfs/dbraw/zinc/87/59/49/864875949.db2.gz KYJGPZKQHLPKIF-UHFFFAOYSA-N -1 1 400.276 4.069 20 0 HIADMM CC(C)(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000439580111 864899999 /nfs/dbraw/zinc/89/99/99/864899999.db2.gz ZVMIXYWDOAERNE-UHFFFAOYSA-N -1 1 417.552 4.354 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nncn2C(C)C)cc1 ZINC000439870106 865179622 /nfs/dbraw/zinc/17/96/22/865179622.db2.gz FMJOPNZYRZFBKF-UHFFFAOYSA-N -1 1 414.531 4.362 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000439981833 865283043 /nfs/dbraw/zinc/28/30/43/865283043.db2.gz IHEXXVCSCFISCO-UHFFFAOYSA-N -1 1 416.403 4.229 20 0 HIADMM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])Cc1cccs1 ZINC000439988251 865295963 /nfs/dbraw/zinc/29/59/63/865295963.db2.gz IPDSCUSTKWURRZ-IERDGZPVSA-N -1 1 422.550 4.207 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1Br ZINC000439988591 865296806 /nfs/dbraw/zinc/29/68/06/865296806.db2.gz OAAGCUPNJGORBU-UHFFFAOYSA-N -1 1 408.273 4.117 20 0 HIADMM CC(C)c1cc(C(=O)Nc2cc([O-])c(Br)cc2Br)n[nH]1 ZINC000468030348 881863376 /nfs/dbraw/zinc/86/33/76/881863376.db2.gz PGZVOYVBRAXPJL-UHFFFAOYSA-N -1 1 403.074 4.016 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCCS2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000440368677 865653300 /nfs/dbraw/zinc/65/33/00/865653300.db2.gz SREJGFMIPDMAQQ-INIZCTEOSA-N -1 1 410.948 4.283 20 0 HIADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000440403582 865697087 /nfs/dbraw/zinc/69/70/87/865697087.db2.gz FRGIXMHAISDGKB-LSDHHAIUSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCC(F)(F)F)ccc2C)c1 ZINC000440522100 865804108 /nfs/dbraw/zinc/80/41/08/865804108.db2.gz YOQPJJDTYQWMJN-UHFFFAOYSA-N -1 1 414.449 4.177 20 0 HIADMM COCc1nc(C(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)c(-c2ccccc2)s1 ZINC000440888388 865983766 /nfs/dbraw/zinc/98/37/66/865983766.db2.gz NAGBCCAOHJNQNH-UHFFFAOYSA-N -1 1 418.421 4.274 20 0 HIADMM Cc1cccc(Oc2ccccc2NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1 ZINC000468208232 882088544 /nfs/dbraw/zinc/08/85/44/882088544.db2.gz CAGPZMCTJXKNNK-UHFFFAOYSA-N -1 1 402.410 4.097 20 0 HIADMM CC(C)CC1(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000442734018 867655964 /nfs/dbraw/zinc/65/59/64/867655964.db2.gz DSWCECHJAWQGHS-UHFFFAOYSA-N -1 1 400.544 4.272 20 0 HIADMM COc1cc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cc(Cl)c1[O-] ZINC000442975493 867772380 /nfs/dbraw/zinc/77/23/80/867772380.db2.gz RGANRSSCAPVKDX-UHFFFAOYSA-N -1 1 417.918 4.395 20 0 HIADMM CSc1ccccc1[C@H](C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000442980364 867776091 /nfs/dbraw/zinc/77/60/91/867776091.db2.gz RDUHSFOFVUVAGH-AWEZNQCLSA-N -1 1 408.527 4.085 20 0 HIADMM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(Cl)c([O-])c(OC)c3)n2)cc1 ZINC000443053956 867803573 /nfs/dbraw/zinc/80/35/73/867803573.db2.gz CENDOJHMUXBDBP-LLVKDONJSA-N -1 1 401.850 4.158 20 0 HIADMM COc1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc(Cl)c1[O-] ZINC000443116411 867827034 /nfs/dbraw/zinc/82/70/34/867827034.db2.gz HTTVCQFRQZOIME-INIZCTEOSA-N -1 1 400.233 4.060 20 0 HIADMM COc1cc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000443116581 867827335 /nfs/dbraw/zinc/82/73/35/867827335.db2.gz KQTWUCOLYFWNKI-MRXNPFEDSA-N -1 1 415.795 4.287 20 0 HIADMM COc1cc(C(=O)NCCOCc2ccc(Cl)cc2Cl)cc(Cl)c1[O-] ZINC000443131200 867833909 /nfs/dbraw/zinc/83/39/09/867833909.db2.gz OIHCTDGVWREXJU-UHFFFAOYSA-N -1 1 404.677 4.308 20 0 HIADMM COc1cc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc(Cl)c1[O-] ZINC000443339709 867911822 /nfs/dbraw/zinc/91/18/22/867911822.db2.gz DLARAIOYJPKWPW-UHFFFAOYSA-N -1 1 402.878 4.179 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(C(=O)NC(C)C)cc3)c2)n1 ZINC000443396844 867953530 /nfs/dbraw/zinc/95/35/30/867953530.db2.gz BRYYZWJZIFHVAS-UHFFFAOYSA-N -1 1 415.540 4.058 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(OCC(C)(C)O)cc3)c2)n1 ZINC000443413685 867996870 /nfs/dbraw/zinc/99/68/70/867996870.db2.gz NEBYEQBKLSYVCV-UHFFFAOYSA-N -1 1 418.540 4.069 20 0 HIADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1C ZINC000443412723 867997017 /nfs/dbraw/zinc/99/70/17/867997017.db2.gz KCLYOSJMFXZPME-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000443459935 868049239 /nfs/dbraw/zinc/04/92/39/868049239.db2.gz IDTSFOCWFNRTMN-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)c(C)c1 ZINC000443530280 868089514 /nfs/dbraw/zinc/08/95/14/868089514.db2.gz NTPLPEJSFZWJPH-UHFFFAOYSA-N -1 1 407.385 4.275 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CCC2(CCC2)C1 ZINC000468252000 882158651 /nfs/dbraw/zinc/15/86/51/882158651.db2.gz LOFJVQYNTMELCH-UHFFFAOYSA-N -1 1 404.919 4.157 20 0 HIADMM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)CCC2 ZINC000443761371 868326471 /nfs/dbraw/zinc/32/64/71/868326471.db2.gz YJLQHIQAZKIUFS-SNVBAGLBSA-N -1 1 408.738 4.008 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCOC[C@@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000443923717 868461010 /nfs/dbraw/zinc/46/10/10/868461010.db2.gz JCHOQLDCFFVXPR-KBXCAEBGSA-N -1 1 422.934 4.060 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000443949813 868485479 /nfs/dbraw/zinc/48/54/79/868485479.db2.gz TUXDSYBMCOVXHV-UHFFFAOYSA-N -1 1 418.541 4.444 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1ccc(C(F)(F)F)cc1F ZINC000444052326 868591661 /nfs/dbraw/zinc/59/16/61/868591661.db2.gz XIYNBNODPZADEL-UHFFFAOYSA-N -1 1 409.311 4.459 20 0 HIADMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccccc3SC)n2)cc1 ZINC000444081113 868607246 /nfs/dbraw/zinc/60/72/46/868607246.db2.gz CVXBUEPDEKEBFA-CYBMUJFWSA-N -1 1 403.529 4.060 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc(-c2ccco2)[nH]c1=O ZINC000444352801 868781662 /nfs/dbraw/zinc/78/16/62/868781662.db2.gz OVFZDGPDJNRUAS-UHFFFAOYSA-N -1 1 421.453 4.068 20 0 HIADMM CCC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC000444363060 868791368 /nfs/dbraw/zinc/79/13/68/868791368.db2.gz KLAXHUKGLHDOPH-UHFFFAOYSA-N -1 1 409.486 4.056 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000444375914 868800283 /nfs/dbraw/zinc/80/02/83/868800283.db2.gz QWZRAMHBYOGLQB-UHFFFAOYSA-N -1 1 423.444 4.100 20 0 HIADMM Cc1cc(Br)oc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444380652 868801898 /nfs/dbraw/zinc/80/18/98/868801898.db2.gz NUCOXYQTEXBJJX-UHFFFAOYSA-N -1 1 421.291 4.371 20 0 HIADMM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000444401828 868812531 /nfs/dbraw/zinc/81/25/31/868812531.db2.gz ANHVYZHKAUURKG-GTNSWQLSSA-N -1 1 410.695 4.410 20 0 HIADMM Cc1ccc(F)c(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000444404039 868813915 /nfs/dbraw/zinc/81/39/15/868813915.db2.gz KLBKRYXZNQUPHM-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(-c3cccc(Cl)c3)n2)s1 ZINC000444462262 868837996 /nfs/dbraw/zinc/83/79/96/868837996.db2.gz DUTQMTOTKIHIAB-UHFFFAOYSA-N -1 1 402.892 4.266 20 0 HIADMM Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cnn1C1CCCC1 ZINC000444479523 868847242 /nfs/dbraw/zinc/84/72/42/868847242.db2.gz NCJILFDTFBXMIB-UHFFFAOYSA-N -1 1 424.526 4.360 20 0 HIADMM CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(F)(F)F ZINC000444536898 868873087 /nfs/dbraw/zinc/87/30/87/868873087.db2.gz VDDIKYOQAVKCRR-GUYCJALGSA-N -1 1 414.449 4.194 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC000444642412 868927210 /nfs/dbraw/zinc/92/72/10/868927210.db2.gz WZIGTLHVCANGNU-IBGZPJMESA-N -1 1 402.498 4.272 20 0 HIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)C2CCOCC2)c1 ZINC000468349529 882286110 /nfs/dbraw/zinc/28/61/10/882286110.db2.gz NZYXQUHTXDRSHZ-MHZLTWQESA-N -1 1 421.584 4.039 20 0 HIADMM COc1cc(-c2noc(CCC(=O)c3ccccc3)n2)cc(Br)c1[O-] ZINC000445390373 869475650 /nfs/dbraw/zinc/47/56/50/869475650.db2.gz HQPWJXJUSVBZGA-UHFFFAOYSA-N -1 1 403.232 4.029 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(C(C)(C)c3ccc(Br)cc3)no2)c1 ZINC000445391853 869477378 /nfs/dbraw/zinc/47/73/78/869477378.db2.gz LKCJYIWLIVNGQM-UHFFFAOYSA-N -1 1 416.275 4.489 20 0 HIADMM COc1cccc(/C=C/c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1 ZINC000445395274 869479697 /nfs/dbraw/zinc/47/96/97/869479697.db2.gz WPEMFRJCEUDNTA-VOTSOKGWSA-N -1 1 403.232 4.392 20 0 HIADMM COc1cc(-c2noc(-c3cc4ccccc4c(=O)[nH]3)n2)cc(Br)c1[O-] ZINC000445397293 869482720 /nfs/dbraw/zinc/48/27/20/869482720.db2.gz GGNRLXQTKSQGSS-UHFFFAOYSA-N -1 1 414.215 4.134 20 0 HIADMM CCc1ccccc1OCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445396845 869482730 /nfs/dbraw/zinc/48/27/30/869482730.db2.gz ZMYBROMNQASAJW-UHFFFAOYSA-N -1 1 405.248 4.355 20 0 HIADMM CCSc1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cn1 ZINC000445398883 869484259 /nfs/dbraw/zinc/48/42/59/869484259.db2.gz ZYWHLXPZOAUNPS-UHFFFAOYSA-N -1 1 408.277 4.387 20 0 HIADMM Cc1cc(-c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)nc2ccccc12 ZINC000445405082 869489507 /nfs/dbraw/zinc/48/95/07/869489507.db2.gz SQGQBEZSWGECDF-UHFFFAOYSA-N -1 1 424.464 4.244 20 0 HIADMM CCOc1cc(-c2noc(CC[C@H]3Cc4ccccc4NC3=O)n2)cc(Cl)c1[O-] ZINC000445408243 869491750 /nfs/dbraw/zinc/49/17/50/869491750.db2.gz BMQCDEIYAXCYRH-ZDUSSCGKSA-N -1 1 413.861 4.238 20 0 HIADMM CCOc1cc(-c2noc(CCCNC(=O)NC3CCCCC3)n2)cc(Cl)c1[O-] ZINC000445428673 869513114 /nfs/dbraw/zinc/51/31/14/869513114.db2.gz XPLLBTAXOYOOMS-UHFFFAOYSA-N -1 1 422.913 4.059 20 0 HIADMM CCn1c(SCc2nc(-c3ccc([O-])cc3Cl)no2)nnc1-c1ccco1 ZINC000445445989 869527737 /nfs/dbraw/zinc/52/77/37/869527737.db2.gz BTWWDSWLNUDQHF-UHFFFAOYSA-N -1 1 403.851 4.259 20 0 HIADMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)nnn1-c1ccc2ncccc2c1 ZINC000445447558 869528598 /nfs/dbraw/zinc/52/85/98/869528598.db2.gz STKIOXGHOPWKSF-UHFFFAOYSA-N -1 1 404.817 4.200 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3ccoc3)no2)c1)c1ccc(F)c(F)c1 ZINC000445454999 869533798 /nfs/dbraw/zinc/53/37/98/869533798.db2.gz NUVHXZXNWLTIIA-UHFFFAOYSA-N -1 1 403.366 4.076 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc(-c3ccoc3)no2)cc1 ZINC000445456906 869535143 /nfs/dbraw/zinc/53/51/43/869535143.db2.gz WLRIIPZODYAROX-UHFFFAOYSA-N -1 1 401.831 4.451 20 0 HIADMM [O-]c1ccc(-c2noc(C3CCN(c4ccc5cccc(O)c5n4)CC3)n2)c(F)c1 ZINC000445461022 869537111 /nfs/dbraw/zinc/53/71/11/869537111.db2.gz DUVCKGMAVVWDHO-UHFFFAOYSA-N -1 1 406.417 4.219 20 0 HIADMM Cc1nnc(SCc2nc(-c3ccc([O-])c(F)c3)no2)n1-c1cc(C)ccc1C ZINC000445481151 869552717 /nfs/dbraw/zinc/55/27/17/869552717.db2.gz KHPHKIJDWAZRMY-UHFFFAOYSA-N -1 1 411.462 4.380 20 0 HIADMM CCn1c(SCc2nc(-c3ccc([O-])c(F)c3)no2)nnc1-c1cccs1 ZINC000445484884 869555976 /nfs/dbraw/zinc/55/59/76/869555976.db2.gz YLCWNALVTVMTAR-UHFFFAOYSA-N -1 1 403.464 4.214 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc([C@@H]4CCCOC4)no3)ccc2C)c1 ZINC000445521730 869581777 /nfs/dbraw/zinc/58/17/77/869581777.db2.gz SHJSSQYDNNCOJX-QGZVFWFLSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc([C@@H]4CCCOC4)no3)ccc2C)cc1 ZINC000445529996 869586704 /nfs/dbraw/zinc/58/67/04/869586704.db2.gz XHKXGPQHGBAOBK-QGZVFWFLSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(-c4cncs4)no3)cc2)c1 ZINC000445586454 869646672 /nfs/dbraw/zinc/64/66/72/869646672.db2.gz AXDCOLUBUADVJY-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3CCCCO3)ccc2C)c1 ZINC000445646257 869717579 /nfs/dbraw/zinc/71/75/79/869717579.db2.gz CRLBPWXNMNEYBP-LJQANCHMSA-N -1 1 402.516 4.002 20 0 HIADMM Cc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000445653059 869723535 /nfs/dbraw/zinc/72/35/35/869723535.db2.gz SMWLDPYITLFXKM-SFHVURJKSA-N -1 1 422.934 4.347 20 0 HIADMM CN(Cc1ccccc1)C(=O)Cc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000445670227 869739467 /nfs/dbraw/zinc/73/94/67/869739467.db2.gz NQTHGJOIVDZYRI-UHFFFAOYSA-N -1 1 415.449 4.436 20 0 HIADMM CCSCCCc1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000445732991 869788482 /nfs/dbraw/zinc/78/84/82/869788482.db2.gz MQUAGEZQJWFCDG-UHFFFAOYSA-N -1 1 403.529 4.223 20 0 HIADMM CCOc1cc(-c2nc(CC(=O)NCc3cccc(Cl)c3)no2)cc(Cl)c1[O-] ZINC000445836199 869852525 /nfs/dbraw/zinc/85/25/25/869852525.db2.gz SYYGUCSOEGQRRS-UHFFFAOYSA-N -1 1 422.268 4.007 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](C(C)C)C3)c2)cc1 ZINC000446519030 870437918 /nfs/dbraw/zinc/43/79/18/870437918.db2.gz FEFUIVGEVDSUNL-GOSISDBHSA-N -1 1 416.543 4.004 20 0 HIADMM C[C@]1(c2ccccc2)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000446692274 870607788 /nfs/dbraw/zinc/60/77/88/870607788.db2.gz GYUOGCMGKUWCTQ-DEOSSOPVSA-N -1 1 420.534 4.291 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c(C)n1 ZINC000446707376 870623269 /nfs/dbraw/zinc/62/32/69/870623269.db2.gz RQDLTWSOYZEYPA-UHFFFAOYSA-N -1 1 413.474 4.199 20 0 HIADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000447260514 871137898 /nfs/dbraw/zinc/13/78/98/871137898.db2.gz LPTMXLDXWCCRNI-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)cc1C ZINC000447266577 871151666 /nfs/dbraw/zinc/15/16/66/871151666.db2.gz XIFHGLVOKOBAIG-UHFFFAOYSA-N -1 1 406.410 4.270 20 0 HIADMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000447271590 871157045 /nfs/dbraw/zinc/15/70/45/871157045.db2.gz PCFLJHXITBSLAH-UHFFFAOYSA-N -1 1 402.303 4.244 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1NC(C)=O ZINC000447338805 871233744 /nfs/dbraw/zinc/23/37/44/871233744.db2.gz TTWPXWHBIINKLM-UHFFFAOYSA-N -1 1 404.875 4.261 20 0 HIADMM O=C1CCCN1Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000447345858 871246742 /nfs/dbraw/zinc/24/67/42/871246742.db2.gz RUUNRGMQAJJHMQ-UHFFFAOYSA-N -1 1 414.914 4.416 20 0 HIADMM Cc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447501728 871379583 /nfs/dbraw/zinc/37/95/83/871379583.db2.gz XSDQAQPJBPXOAP-UHFFFAOYSA-N -1 1 415.490 4.060 20 0 HIADMM Cc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447501728 871379595 /nfs/dbraw/zinc/37/95/95/871379595.db2.gz XSDQAQPJBPXOAP-UHFFFAOYSA-N -1 1 415.490 4.060 20 0 HIADMM Cc1nc(-c2ccc(N3CCn4c(cc5ccc(Cl)cc54)C3)nc2)[n-]c(=O)c1C ZINC000447673562 871603645 /nfs/dbraw/zinc/60/36/45/871603645.db2.gz YWFQQZWARIGIRX-UHFFFAOYSA-N -1 1 405.889 4.489 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447781741 871710500 /nfs/dbraw/zinc/71/05/00/871710500.db2.gz VDDZDLGBSSNTJJ-UHFFFAOYSA-N -1 1 410.373 4.415 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)c(OCC(F)(F)F)c2)c1 ZINC000448036979 871869763 /nfs/dbraw/zinc/86/97/63/871869763.db2.gz AUKADZDMKJNJPW-UHFFFAOYSA-N -1 1 417.405 4.030 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)c1 ZINC000448126555 872000866 /nfs/dbraw/zinc/00/08/66/872000866.db2.gz SADXPQFVXZNVAN-UHFFFAOYSA-N -1 1 401.406 4.330 20 0 HIADMM COCCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000448402771 872351244 /nfs/dbraw/zinc/35/12/44/872351244.db2.gz DEEQHCCXNDCBQF-UHFFFAOYSA-N -1 1 422.934 4.204 20 0 HIADMM O=S(=O)(Cc1ccc(F)cc1)[N-]c1noc(-c2ccccc2)c1Br ZINC000448536308 872535154 /nfs/dbraw/zinc/53/51/54/872535154.db2.gz DQPYHAZYKCDZLD-UHFFFAOYSA-N -1 1 411.252 4.185 20 0 HIADMM COc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000460130279 872612639 /nfs/dbraw/zinc/61/26/39/872612639.db2.gz VEHKHRBPYFOPJA-PBHICJAKSA-N -1 1 400.233 4.107 20 0 HIADMM COc1cc(C(=O)NC[C@@H](C)Oc2ccccc2Br)cc(Cl)c1[O-] ZINC000460133453 872622203 /nfs/dbraw/zinc/62/22/03/872622203.db2.gz XJXDWGPVALZGLR-SNVBAGLBSA-N -1 1 414.683 4.014 20 0 HIADMM COc1cc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc(Cl)c1[O-] ZINC000460215005 872800142 /nfs/dbraw/zinc/80/01/42/872800142.db2.gz ZYHZCEVUGAZHFR-UHFFFAOYSA-N -1 1 415.833 4.146 20 0 HIADMM Cc1nc(-c2ccc(N(C)CCOc3ccc(C(F)(F)F)cc3)nc2)[n-]c(=O)c1C ZINC000468592118 882679208 /nfs/dbraw/zinc/67/92/08/882679208.db2.gz ZTEWPKKSMAMVIY-UHFFFAOYSA-N -1 1 418.419 4.395 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)o1 ZINC000460449317 873121451 /nfs/dbraw/zinc/12/14/51/873121451.db2.gz YGOCBNGBIRJJFT-UHFFFAOYSA-N -1 1 424.494 4.069 20 0 HIADMM Cc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000460718632 873515205 /nfs/dbraw/zinc/51/52/05/873515205.db2.gz PKCHXJAXVUPMSG-UHFFFAOYSA-N -1 1 413.499 4.334 20 0 HIADMM COC1(c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)n2)CCCC1 ZINC000460809471 873686866 /nfs/dbraw/zinc/68/68/66/873686866.db2.gz NXAAPRLPARXTTD-UHFFFAOYSA-N -1 1 413.499 4.262 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(CCC(=O)N3CCCC3)cc2)c1 ZINC000460819916 873702038 /nfs/dbraw/zinc/70/20/38/873702038.db2.gz KZUBXMVHFBYOPP-UHFFFAOYSA-N -1 1 400.544 4.166 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])c(Cl)c1Cl ZINC000460842861 873733387 /nfs/dbraw/zinc/73/33/87/873733387.db2.gz NSFNJZBADUBHEB-UHFFFAOYSA-N -1 1 404.271 4.118 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)cc2)c1C ZINC000460954530 873852931 /nfs/dbraw/zinc/85/29/31/873852931.db2.gz HOPQKLRVNFXYSJ-NRFANRHFSA-N -1 1 412.555 4.365 20 0 HIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)[C@@H]1C1CC1 ZINC000460966392 873862820 /nfs/dbraw/zinc/86/28/20/873862820.db2.gz WHLJZWWWHOLMND-LJQANCHMSA-N -1 1 420.481 4.026 20 0 HIADMM CC1(C)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)[C@@H]1C1CC1 ZINC000460975685 873869792 /nfs/dbraw/zinc/86/97/92/873869792.db2.gz GYCDWYISBLDKNJ-LJQANCHMSA-N -1 1 420.481 4.026 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)cc2)ccc1F ZINC000460976422 873870073 /nfs/dbraw/zinc/87/00/73/873870073.db2.gz JBVSKGRXEMMRSK-HXUWFJFHSA-N -1 1 416.518 4.196 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4c3cccc4F)c2)c1 ZINC000461078456 873981681 /nfs/dbraw/zinc/98/16/81/873981681.db2.gz WPIZSWCPIWNDFL-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM CC1(C)[C@@H]2CN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(Cl)c4)cc3)C[C@@H]21 ZINC000461171671 874143510 /nfs/dbraw/zinc/14/35/10/874143510.db2.gz QVFZYODIQYCQOO-IYBDPMFKSA-N -1 1 422.909 4.008 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000461199078 874200236 /nfs/dbraw/zinc/20/02/36/874200236.db2.gz WGUVPHPBFNSJAE-UHFFFAOYSA-N -1 1 422.916 4.201 20 0 HIADMM CC(C)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CC1 ZINC000461414378 874432194 /nfs/dbraw/zinc/43/21/94/874432194.db2.gz SWHZCZPZVQIFSY-UHFFFAOYSA-N -1 1 422.497 4.274 20 0 HIADMM CC(C)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000461432145 874476353 /nfs/dbraw/zinc/47/63/53/874476353.db2.gz WIHZQYAOXYMMQH-UHFFFAOYSA-N -1 1 422.497 4.274 20 0 HIADMM CCCCSc1nnc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)s1 ZINC000461459915 874519565 /nfs/dbraw/zinc/51/95/65/874519565.db2.gz HTCQORPJWIIYSG-UHFFFAOYSA-N -1 1 416.557 4.416 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCC[C@H]2CCC[C@H]21 ZINC000461486513 874548168 /nfs/dbraw/zinc/54/81/68/874548168.db2.gz KSAZPSHCIMKUJD-FOIQADDNSA-N -1 1 402.491 4.031 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H]4CCC[C@@H]43)c2)cc1F ZINC000461493718 874562438 /nfs/dbraw/zinc/56/24/38/874562438.db2.gz IHDAGJFJGFDPBI-IERDGZPVSA-N -1 1 416.518 4.340 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2F)C1)c1c(Cl)cc(F)cc1Cl ZINC000462143226 875241874 /nfs/dbraw/zinc/24/18/74/875241874.db2.gz WFPFEDRNNXBDFJ-LLVKDONJSA-N -1 1 421.296 4.076 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCCCC2)cc1 ZINC000462458331 875565883 /nfs/dbraw/zinc/56/58/83/875565883.db2.gz UHSYCVISQBTGPS-UHFFFAOYSA-N -1 1 421.950 4.114 20 0 HIADMM COc1ccccc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000468914339 882972878 /nfs/dbraw/zinc/97/28/78/882972878.db2.gz KPZSJDBQHCDNTH-UHFFFAOYSA-N -1 1 407.651 4.205 20 0 HIADMM Cc1nc(-c2ccc(NCCc3nc4cc(Cl)ccc4s3)nc2)[n-]c(=O)c1C ZINC000462922624 875951342 /nfs/dbraw/zinc/95/13/42/875951342.db2.gz AOEOGXKJHTYWIZ-UHFFFAOYSA-N -1 1 411.918 4.779 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1c2ccccc2CC[C@@H]1C(C)C ZINC000463061205 876090051 /nfs/dbraw/zinc/09/00/51/876090051.db2.gz NORLEWFQWAXSGH-AUSIDOKSSA-N -1 1 416.525 4.171 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CC1CCC1 ZINC000463234360 876290227 /nfs/dbraw/zinc/29/02/27/876290227.db2.gz SQIKKHGHWYKMRW-UHFFFAOYSA-N -1 1 408.907 4.278 20 0 HIADMM COC[C@@H](C)Sc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000463250690 876307981 /nfs/dbraw/zinc/30/79/81/876307981.db2.gz NQNFCQSGXLJJLE-LLVKDONJSA-N -1 1 412.920 4.409 20 0 HIADMM Cc1sccc1CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468960760 883026639 /nfs/dbraw/zinc/02/66/39/883026639.db2.gz KUSICIOKCXYYJJ-UHFFFAOYSA-N -1 1 400.525 4.347 20 0 HIADMM Cc1cc(F)cc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000463504654 876565980 /nfs/dbraw/zinc/56/59/80/876565980.db2.gz XLJHAIHJUGAEFG-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1Cl ZINC000463506176 876567664 /nfs/dbraw/zinc/56/76/64/876567664.db2.gz IDIATSRQTMNMHP-HSZRJFAPSA-N -1 1 403.978 4.050 20 0 HIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1)C(C)=O ZINC000463527218 876599526 /nfs/dbraw/zinc/59/95/26/876599526.db2.gz JMXLDSSNDIWXDC-UHFFFAOYSA-N -1 1 412.964 4.231 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)cc1Cl ZINC000463790222 876908893 /nfs/dbraw/zinc/90/88/93/876908893.db2.gz RVHRYLFOCGSNAG-UHFFFAOYSA-N -1 1 408.936 4.340 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(OC)c2)cc1OCC ZINC000463790095 876909407 /nfs/dbraw/zinc/90/94/07/876909407.db2.gz XEBOGCOXVOQODT-UHFFFAOYSA-N -1 1 409.504 4.081 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)ccc1OC(C)C ZINC000463791316 876910420 /nfs/dbraw/zinc/91/04/20/876910420.db2.gz WUUBCGVCJAKGNJ-UHFFFAOYSA-N -1 1 418.284 4.185 20 0 HIADMM CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000463800339 876917944 /nfs/dbraw/zinc/91/79/44/876917944.db2.gz OQPAAKYCZZKPAH-LBPRGKRZSA-N -1 1 419.396 4.299 20 0 HIADMM COCc1cccc(-c2nc3cc(S(=O)(=O)[N-]c4ccc(OC)cc4)ccc3[nH]2)c1 ZINC000463937338 877057727 /nfs/dbraw/zinc/05/77/27/877057727.db2.gz MGNGHCVYJSCGSL-UHFFFAOYSA-N -1 1 423.494 4.186 20 0 HIADMM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000464045579 877186407 /nfs/dbraw/zinc/18/64/07/877186407.db2.gz ILCHCQOGGNLHCE-IRLDBZIGSA-N -1 1 416.525 4.198 20 0 HIADMM CCc1cnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)s1 ZINC000464086738 877239936 /nfs/dbraw/zinc/23/99/36/877239936.db2.gz IAPQQNAGMQPPGN-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1c(F)cccc1Cl ZINC000464195960 877366462 /nfs/dbraw/zinc/36/64/62/877366462.db2.gz RPGCKLZYSLATRG-GJZGRUSLSA-N -1 1 408.253 4.080 20 0 HIADMM O=S(=O)([N-]CC1(c2ccccc2Cl)CCOCC1)c1c(F)cccc1Cl ZINC000464418681 877626447 /nfs/dbraw/zinc/62/64/47/877626447.db2.gz HXPDHXDUTYITAH-UHFFFAOYSA-N -1 1 418.317 4.159 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000464584298 877809708 /nfs/dbraw/zinc/80/97/08/877809708.db2.gz XUOVMDPGHVLOAP-OAQYLSRUSA-N -1 1 404.507 4.279 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000464585550 877811108 /nfs/dbraw/zinc/81/11/08/877811108.db2.gz FFVQQNQIBRJGBQ-QFIPXVFZSA-N -1 1 418.534 4.208 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000464697318 877912940 /nfs/dbraw/zinc/91/29/40/877912940.db2.gz VGESUTWXIJHTLU-KRWDZBQOSA-N -1 1 420.600 4.366 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000464708081 877930660 /nfs/dbraw/zinc/93/06/60/877930660.db2.gz KQDVKBKDHCOAIY-HNNXBMFYSA-N -1 1 424.563 4.196 20 0 HIADMM CC[C@H]1CCC[C@H]1NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000465010138 878370032 /nfs/dbraw/zinc/37/00/32/878370032.db2.gz LYMRKQRJUXQHKF-GHTZIAJQSA-N -1 1 415.559 4.208 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)C[C@@H]3CC)cc2)cc1 ZINC000465292171 878729585 /nfs/dbraw/zinc/72/95/85/878729585.db2.gz SCIPMMOAIQNULD-LPHOPBHVSA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000465296870 878738656 /nfs/dbraw/zinc/73/86/56/878738656.db2.gz SDGLMPFEKKHAPP-RDTXWAMCSA-N -1 1 404.507 4.196 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000465300112 878744028 /nfs/dbraw/zinc/74/40/28/878744028.db2.gz ZUFQNDNEISTKLJ-JXFKEZNVSA-N -1 1 400.544 4.365 20 0 HIADMM CC(C)C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000465303859 878747874 /nfs/dbraw/zinc/74/78/74/878747874.db2.gz ZMNWOKIMPPJBEP-MRXNPFEDSA-N -1 1 404.507 4.135 20 0 HIADMM C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000465846299 879486572 /nfs/dbraw/zinc/48/65/72/879486572.db2.gz WJPVZWHTSVPUQL-QZTJIDSGSA-N -1 1 415.559 4.208 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000465850721 879493654 /nfs/dbraw/zinc/49/36/54/879493654.db2.gz SVCLVMYZOKIVLG-QFIPXVFZSA-N -1 1 415.559 4.209 20 0 HIADMM CC[C@@H](C)C[C@H](C)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466170521 879872257 /nfs/dbraw/zinc/87/22/57/879872257.db2.gz SNQKUXOFVZDUNG-MSOLQXFVSA-N -1 1 417.575 4.454 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)cc1F ZINC000466286308 880030585 /nfs/dbraw/zinc/03/05/85/880030585.db2.gz GHEJIUWATQRPDT-UHFFFAOYSA-N -1 1 412.442 4.367 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc4cnn(C(C)C)c4c3)cc2F)c1 ZINC000466291349 880036091 /nfs/dbraw/zinc/03/60/91/880036091.db2.gz WFXSHMZQTKHSIG-UHFFFAOYSA-N -1 1 413.478 4.051 20 0 HIADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 ZINC000466475405 880257105 /nfs/dbraw/zinc/25/71/05/880257105.db2.gz SUJJZEOZEYEEGD-UHFFFAOYSA-N -1 1 415.515 4.328 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2OCCC3)cc1 ZINC000466502745 880277160 /nfs/dbraw/zinc/27/71/60/880277160.db2.gz DQQLAUNSXLASJP-UHFFFAOYSA-N -1 1 422.506 4.373 20 0 HIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466715540 880504491 /nfs/dbraw/zinc/50/44/91/880504491.db2.gz BLVGITUNQBEJKW-HNNXBMFYSA-N -1 1 403.507 4.233 20 0 HIADMM C[C@@H]1CCC[C@@H]1CNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466714874 880504679 /nfs/dbraw/zinc/50/46/79/880504679.db2.gz CQIJYBOCOSEIBB-IEBWSBKVSA-N -1 1 415.559 4.065 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)cc1 ZINC000467078303 880853021 /nfs/dbraw/zinc/85/30/21/880853021.db2.gz HAJDGWCULXBOKQ-UHFFFAOYSA-N -1 1 405.479 4.244 20 0 HIADMM Cn1c2ccccc2nc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000467083922 880853842 /nfs/dbraw/zinc/85/38/42/880853842.db2.gz IHAIDKOWQHEAHY-UHFFFAOYSA-N -1 1 405.479 4.071 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)Nc2nc3ccccc3s2)nc1-c1ccccc1 ZINC000467203369 880932938 /nfs/dbraw/zinc/93/29/38/880932938.db2.gz XNUIVGAZWCKMCM-UHFFFAOYSA-N -1 1 408.508 4.498 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)NCc2cccc(OC(C)C)c2)nc1-c1ccccc1 ZINC000467205064 880934261 /nfs/dbraw/zinc/93/42/61/880934261.db2.gz FTLDFYGSOQXQIP-UHFFFAOYSA-N -1 1 423.538 4.353 20 0 HIADMM CCc1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000467206484 880935670 /nfs/dbraw/zinc/93/56/70/880935670.db2.gz MVYHMYVZEWXMKH-UHFFFAOYSA-N -1 1 407.539 4.471 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@]3(C)CCCS3)c2)c1 ZINC000467322786 881071606 /nfs/dbraw/zinc/07/16/06/881071606.db2.gz DANZLBWYKMNTDI-OAQYLSRUSA-N -1 1 418.584 4.120 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(C)(C)C)nc3c2)cc1 ZINC000467412420 881200001 /nfs/dbraw/zinc/20/00/01/881200001.db2.gz SIKKGRCNUDMYBQ-UHFFFAOYSA-N -1 1 400.504 4.010 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1Cl ZINC000467428204 881221016 /nfs/dbraw/zinc/22/10/16/881221016.db2.gz GWQNSMVKYOQNBH-UHFFFAOYSA-N -1 1 418.906 4.243 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)CNc3ccccc3)cc2)cc1 ZINC000467506074 881320928 /nfs/dbraw/zinc/32/09/28/881320928.db2.gz YTFZBGOALCRARN-GOSISDBHSA-N -1 1 423.538 4.026 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1(Cc2ccccc2)CCCCC1 ZINC000469116845 883209041 /nfs/dbraw/zinc/20/90/41/883209041.db2.gz WGALIKXNVRMASC-UHFFFAOYSA-N -1 1 416.525 4.157 20 0 HIADMM Cc1ccc(NC(=O)c2cncc(F)c2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000469201294 883301860 /nfs/dbraw/zinc/30/18/60/883301860.db2.gz PJCUUOGBJGELGU-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CCOc1c(Cl)cc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1Cl ZINC000469204212 883304343 /nfs/dbraw/zinc/30/43/43/883304343.db2.gz UAOHZKQRXSQUCS-UHFFFAOYSA-N -1 1 423.300 4.329 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000469937658 884133016 /nfs/dbraw/zinc/13/30/16/884133016.db2.gz FTLDNUWAYRFXHD-LLVKDONJSA-N -1 1 419.312 4.047 20 0 HIADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)[nH]n1 ZINC000469968843 884179079 /nfs/dbraw/zinc/17/90/79/884179079.db2.gz GIVUKJUTWZKXGB-UHFFFAOYSA-N -1 1 412.231 4.115 20 0 HIADMM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC[C@H]1c1ccccc1 ZINC000470013019 884230089 /nfs/dbraw/zinc/23/00/89/884230089.db2.gz LWXVWXUTPQENSE-SJLPKXTDSA-N -1 1 418.559 4.012 20 0 HIADMM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC[C@H]1c1ccccc1 ZINC000470013018 884230759 /nfs/dbraw/zinc/23/07/59/884230759.db2.gz LWXVWXUTPQENSE-FUHWJXTLSA-N -1 1 418.559 4.012 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1CCC2(CCCCC2)CC1 ZINC000470105047 884363310 /nfs/dbraw/zinc/36/33/10/884363310.db2.gz UOAINAUSPPKSKY-UHFFFAOYSA-N -1 1 408.546 4.495 20 0 HIADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC[C@@H]1c1ccccc1 ZINC000470193144 884496407 /nfs/dbraw/zinc/49/64/07/884496407.db2.gz IRXGGRPUARXIGT-NQIIRXRSSA-N -1 1 406.530 4.027 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nc(C)cs3)c(F)c2)cc1 ZINC000470262608 884609057 /nfs/dbraw/zinc/60/90/57/884609057.db2.gz BSMWDNBHZGQHAK-UHFFFAOYSA-N -1 1 421.475 4.142 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3nc(C)cs3)c(F)c2)cc1 ZINC000470263355 884610833 /nfs/dbraw/zinc/61/08/33/884610833.db2.gz IUBFCMMNWILNKP-UHFFFAOYSA-N -1 1 406.460 4.386 20 0 HIADMM Cn1cc(-c2nc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4F)s3)cs2)cn1 ZINC000470629180 885053670 /nfs/dbraw/zinc/05/36/70/885053670.db2.gz YIAKTXGXAJQELC-UHFFFAOYSA-N -1 1 420.882 4.107 20 0 HIADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000470845373 885341007 /nfs/dbraw/zinc/34/10/07/885341007.db2.gz PNJFYPQEPNZZGF-UONOGXRCSA-N -1 1 408.470 4.026 20 0 HIADMM C[C@@H](N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1(C)CC1 ZINC000470848553 885346715 /nfs/dbraw/zinc/34/67/15/885346715.db2.gz MVYWQWRTGCRRRJ-CYBMUJFWSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nn1-c1ccccc1C(C)C ZINC000504077058 912981449 /nfs/dbraw/zinc/98/14/49/912981449.db2.gz QNSSUBYNKRLZSG-UHFFFAOYSA-N -1 1 402.458 4.047 20 0 HIADMM Cc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471368124 886004673 /nfs/dbraw/zinc/00/46/73/886004673.db2.gz YNEABQIHPMSRJI-UHFFFAOYSA-N -1 1 416.449 4.351 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC2(Cc3ccccc3)CCCCC2)c(=O)[n-]1 ZINC000471546851 886255028 /nfs/dbraw/zinc/25/50/28/886255028.db2.gz KWMOHPRJZXMDPT-UHFFFAOYSA-N -1 1 413.587 4.455 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(CC)(CC)C3)c2)cc1 ZINC000504124411 913028730 /nfs/dbraw/zinc/02/87/30/913028730.db2.gz ZARVLSIBGORKIM-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CN(C)c1cccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000471644592 886361026 /nfs/dbraw/zinc/36/10/26/886361026.db2.gz WELAVTHHSZFYHZ-UHFFFAOYSA-N -1 1 423.538 4.125 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C(C)(C)C1 ZINC000471708278 886415911 /nfs/dbraw/zinc/41/59/11/886415911.db2.gz BRTXOYWMMKEDBX-ZDUSSCGKSA-N -1 1 408.470 4.026 20 0 HIADMM O=S(=O)([N-][C@H](c1cccc(Cl)c1)c1ccccn1)c1cc(F)c(F)cc1F ZINC000471877028 886656822 /nfs/dbraw/zinc/65/68/22/886656822.db2.gz OTONULABWCWSSS-GOSISDBHSA-N -1 1 412.820 4.220 20 0 HIADMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cc(OC)ccc3Cl)n2)cc1 ZINC000471894562 886677248 /nfs/dbraw/zinc/67/72/48/886677248.db2.gz DQQBDQONJNNZCX-LBPRGKRZSA-N -1 1 421.906 4.001 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472060886 886870481 /nfs/dbraw/zinc/87/04/81/886870481.db2.gz YXRGXGYNYRFLKQ-OYHNWAKOSA-N -1 1 420.488 4.234 20 0 HIADMM CO[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C(C)C ZINC000472220339 887022551 /nfs/dbraw/zinc/02/25/51/887022551.db2.gz JCWJCOHJEIDBLG-GOSISDBHSA-N -1 1 410.923 4.059 20 0 HIADMM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c3ccccc3)c1)CO2 ZINC000472730895 887577164 /nfs/dbraw/zinc/57/71/64/887577164.db2.gz KPTZFFBMVNOYPG-NRFANRHFSA-N -1 1 422.506 4.219 20 0 HIADMM Cc1ncsc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000473294132 888048098 /nfs/dbraw/zinc/04/80/98/888048098.db2.gz RTRPASYZNNOIFE-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000473935230 888813022 /nfs/dbraw/zinc/81/30/22/888813022.db2.gz ARSDWXJZFNIADD-YVEFUNNKSA-N -1 1 404.290 4.189 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000474329152 889201321 /nfs/dbraw/zinc/20/13/21/889201321.db2.gz LHOWGMFVUGXUIW-UHFFFAOYSA-N -1 1 412.496 4.012 20 0 HIADMM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474430738 889296484 /nfs/dbraw/zinc/29/64/84/889296484.db2.gz YKDDDDNLJPWJSF-UHFFFAOYSA-N -1 1 414.325 4.029 20 0 HIADMM CC(C)n1nc2c(c1NC(=O)c1ccc([N-]S(=O)(=O)c3ccccc3)cc1)CCC2 ZINC000474675750 889540061 /nfs/dbraw/zinc/54/00/61/889540061.db2.gz JOOPRLQIYVTPAA-UHFFFAOYSA-N -1 1 424.526 4.006 20 0 HIADMM O=C([O-])c1ccc(NS(=O)(=O)c2csc3ccccc32)cc1C(F)(F)F ZINC000504601582 913358307 /nfs/dbraw/zinc/35/83/07/913358307.db2.gz MWHLSXYESDDSDN-UHFFFAOYSA-N -1 1 401.387 4.419 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000474706643 889565294 /nfs/dbraw/zinc/56/52/94/889565294.db2.gz SNVPWZKPKWTQFH-JTQLQIEISA-N -1 1 400.529 4.135 20 0 HIADMM COc1ccccc1[C@H](CNC(=O)c1ccc(Br)c([O-])c1)OC(C)C ZINC000474708945 889567515 /nfs/dbraw/zinc/56/75/15/889567515.db2.gz QWXKAOZEBAECRS-SFHVURJKSA-N -1 1 408.292 4.059 20 0 HIADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000474771631 889629411 /nfs/dbraw/zinc/62/94/11/889629411.db2.gz BIYRPPFWFOUIRW-DOTOQJQBSA-N -1 1 420.506 4.160 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000474798239 889652208 /nfs/dbraw/zinc/65/22/08/889652208.db2.gz XARQWIZOKVXGKX-UHFFFAOYSA-N -1 1 419.407 4.245 20 0 HIADMM Cc1ccc(C(=O)N(C)Cc2ccc[nH]2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000474858223 889713887 /nfs/dbraw/zinc/71/38/87/889713887.db2.gz FLNLESBSNLPEJU-UHFFFAOYSA-N -1 1 417.918 4.050 20 0 HIADMM Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000474866271 889720953 /nfs/dbraw/zinc/72/09/53/889720953.db2.gz CHDXKBDRHZNGQB-OAQYLSRUSA-N -1 1 422.506 4.049 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000474966415 889820992 /nfs/dbraw/zinc/82/09/92/889820992.db2.gz LOMBJFRBUHPNAC-UHFFFAOYSA-N -1 1 417.922 4.136 20 0 HIADMM O=C([O-])CCOc1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)cc1 ZINC000504687287 913426103 /nfs/dbraw/zinc/42/61/03/913426103.db2.gz OXRLBGQCDURZDC-UHFFFAOYSA-N -1 1 411.888 4.209 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccoc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000475309696 890222239 /nfs/dbraw/zinc/22/22/39/890222239.db2.gz KSLPDMUNOBBMNP-UHFFFAOYSA-N -1 1 404.875 4.223 20 0 HIADMM CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000475536618 890461346 /nfs/dbraw/zinc/46/13/46/890461346.db2.gz JFEPTMRWPXZYMU-PXNSSMCTSA-N -1 1 400.544 4.320 20 0 HIADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000475646604 890590028 /nfs/dbraw/zinc/59/00/28/890590028.db2.gz KJQTWSOAXDCMEA-MOPGFXCFSA-N -1 1 418.584 4.234 20 0 HIADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000475655062 890599282 /nfs/dbraw/zinc/59/92/82/890599282.db2.gz XJGPZVAYOPOFLO-OALUTQOASA-N -1 1 418.584 4.234 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)cc1 ZINC000475805506 890739507 /nfs/dbraw/zinc/73/95/07/890739507.db2.gz GKIWGYUDAIOGBK-UHFFFAOYSA-N -1 1 418.412 4.439 20 0 HIADMM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)c2)o1 ZINC000475832318 890765200 /nfs/dbraw/zinc/76/52/00/890765200.db2.gz MEFMZWOMAZNYSR-UHFFFAOYSA-N -1 1 410.495 4.256 20 0 HIADMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)ccc2[nH]1 ZINC000475832488 890766516 /nfs/dbraw/zinc/76/65/16/890766516.db2.gz WSMZMJGEYHKYPU-UHFFFAOYSA-N -1 1 413.886 4.135 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1Cl ZINC000476273061 891193918 /nfs/dbraw/zinc/19/39/18/891193918.db2.gz HKQJCIZWHUJHCL-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000476282973 891201593 /nfs/dbraw/zinc/20/15/93/891201593.db2.gz GLGLBUBQOBIZRX-UHFFFAOYSA-N -1 1 414.449 4.211 20 0 HIADMM COc1cccc(-c2nsc(NC([O-])=Cc3coc4cc5c(cc34)CCC5)n2)c1 ZINC000476324519 891230117 /nfs/dbraw/zinc/23/01/17/891230117.db2.gz OCGBMGPIQCMFMI-UHFFFAOYSA-N -1 1 405.479 4.052 20 0 HIADMM Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000476374283 891288930 /nfs/dbraw/zinc/28/89/30/891288930.db2.gz GFIVXUAURNZILX-UHFFFAOYSA-N -1 1 416.543 4.386 20 0 HIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3cccc(Br)c3C)cc2)n1 ZINC000476387847 891303948 /nfs/dbraw/zinc/30/39/48/891303948.db2.gz TWCHLJNPXOZQOG-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)ccc1Br ZINC000476414466 891327527 /nfs/dbraw/zinc/32/75/27/891327527.db2.gz YFIRFOCRFDZHQA-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CSc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)cc1Cl ZINC000476416352 891328896 /nfs/dbraw/zinc/32/88/96/891328896.db2.gz QUTSSEWNTYTYNC-UHFFFAOYSA-N -1 1 410.948 4.162 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000476421345 891333666 /nfs/dbraw/zinc/33/36/66/891333666.db2.gz BRMUMZVITJKAOJ-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000476491204 891402623 /nfs/dbraw/zinc/40/26/23/891402623.db2.gz KVCAUUCMBTZHSQ-UHFFFAOYSA-N -1 1 408.321 4.489 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(Cc3ccccc3)CC2)cc1 ZINC000476724575 891690085 /nfs/dbraw/zinc/69/00/85/891690085.db2.gz XXQMKZMHWWJVJA-UHFFFAOYSA-N -1 1 420.534 4.301 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(CN(C)Cc3cscn3)c2)c1 ZINC000476912452 891864155 /nfs/dbraw/zinc/86/41/55/891864155.db2.gz DKEPXGAIGADNPP-UHFFFAOYSA-N -1 1 405.520 4.023 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3scnc3C3CC3)c2)c1 ZINC000477053969 891985877 /nfs/dbraw/zinc/98/58/77/891985877.db2.gz BWZRNSPQUJTJDV-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM Cc1cc(Cl)cc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000477064758 891998113 /nfs/dbraw/zinc/99/81/13/891998113.db2.gz WJFHZTDCGOOJIB-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@@H](C)C1CC1 ZINC000477207589 892135451 /nfs/dbraw/zinc/13/54/51/892135451.db2.gz NFWDYOUJCBENJG-LBPRGKRZSA-N -1 1 408.907 4.134 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c2ccccc12 ZINC000477215755 892148291 /nfs/dbraw/zinc/14/82/91/892148291.db2.gz CZDVWQZJSFVMGZ-UHFFFAOYSA-N -1 1 410.495 4.388 20 0 HIADMM COc1ccc(-c2nnc([N-]C(=O)c3cc4sc(N(C)C)nc4s3)s2)cc1 ZINC000477417869 892371652 /nfs/dbraw/zinc/37/16/52/892371652.db2.gz ZUNDLOBESJPFPK-UHFFFAOYSA-N -1 1 417.541 4.203 20 0 HIADMM Cn1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1 ZINC000477485421 892477385 /nfs/dbraw/zinc/47/73/85/892477385.db2.gz OHYNXNYAABRMIQ-UHFFFAOYSA-N -1 1 423.416 4.097 20 0 HIADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000477832040 892894676 /nfs/dbraw/zinc/89/46/76/892894676.db2.gz CHWJIWQCPORZHV-BWAGFHJFSA-N -1 1 416.537 4.205 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@H]1CCC(C)(C)C1 ZINC000478198338 893360133 /nfs/dbraw/zinc/36/01/33/893360133.db2.gz RFCQXPFIWMWFKB-INIZCTEOSA-N -1 1 422.497 4.416 20 0 HIADMM CC[C@@H]1CCc2c(sc3nc(-c4cnc(OCC(F)(F)F)cn4)[n-]c(=O)c23)C1 ZINC000478233004 893394030 /nfs/dbraw/zinc/39/40/30/893394030.db2.gz SCOIGZFNMYZBLP-SECBINFHSA-N -1 1 410.421 4.310 20 0 HIADMM CCC1(Cc2ccccc2)CCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)CC1 ZINC000478285429 893493123 /nfs/dbraw/zinc/49/31/23/893493123.db2.gz VHSRFCDFESEXOH-UHFFFAOYSA-N -1 1 413.587 4.407 20 0 HIADMM Cc1cc(C)c(OCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000478315311 893542732 /nfs/dbraw/zinc/54/27/32/893542732.db2.gz OEZUGMWIZZHLFJ-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM COc1ccc(NC(=O)c2cccc(NCC(C)(C)C)c2C)cc1[N-]S(C)(=O)=O ZINC000478453249 893772258 /nfs/dbraw/zinc/77/22/58/893772258.db2.gz URDZKSJHTJYGHX-UHFFFAOYSA-N -1 1 419.547 4.085 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N(CC1CC1)CC1CCC1 ZINC000478589391 893862430 /nfs/dbraw/zinc/86/24/30/893862430.db2.gz TXKVWLZHQBOBKB-UHFFFAOYSA-N -1 1 416.518 4.279 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000478653687 893897738 /nfs/dbraw/zinc/89/77/38/893897738.db2.gz KOCBXFXRQPJBBM-UHFFFAOYSA-N -1 1 419.407 4.245 20 0 HIADMM CCOC(=O)Cc1nnc([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)s1 ZINC000505100577 913816434 /nfs/dbraw/zinc/81/64/34/913816434.db2.gz GQKZFJJSVFCWMJ-UHFFFAOYSA-N -1 1 416.311 4.418 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1NC(=O)N(C)C ZINC000478708964 893974851 /nfs/dbraw/zinc/97/48/51/893974851.db2.gz ITACXUZNIJLGJL-UHFFFAOYSA-N -1 1 419.400 4.047 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1NC(=O)N(C)C ZINC000478710781 893976499 /nfs/dbraw/zinc/97/64/99/893976499.db2.gz RHWJALCTOOWCAU-UHFFFAOYSA-N -1 1 415.437 4.217 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000505135052 913836263 /nfs/dbraw/zinc/83/62/63/913836263.db2.gz IMUYZRZIQRYWQF-HNNXBMFYSA-N -1 1 422.554 4.061 20 0 HIADMM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCO1 ZINC000479376764 894678955 /nfs/dbraw/zinc/67/89/55/894678955.db2.gz NCLNATIAWGEEOB-WPRPVWTQSA-N -1 1 416.790 4.036 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](C)[C@H]3CC)c2)cc1 ZINC000479389192 894692111 /nfs/dbraw/zinc/69/21/11/894692111.db2.gz KPTISVJRRMKFTJ-HRAATJIYSA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](C)[C@@H]3CC)cc2)cc1 ZINC000479420538 894730891 /nfs/dbraw/zinc/73/08/91/894730891.db2.gz WZISLHAGOKDJTN-KKSFZXQISA-N -1 1 416.543 4.147 20 0 HIADMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)cc1 ZINC000479494343 894814427 /nfs/dbraw/zinc/81/44/27/894814427.db2.gz GEQWBZDZJYCXMB-HSZRJFAPSA-N -1 1 424.341 4.141 20 0 HIADMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)c1 ZINC000479503836 894819429 /nfs/dbraw/zinc/81/94/29/894819429.db2.gz OVNFWCYLJWGURV-QHCPKHFHSA-N -1 1 424.341 4.141 20 0 HIADMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479519836 894830717 /nfs/dbraw/zinc/83/07/17/894830717.db2.gz UQDSTUNSQRCZLZ-UHFFFAOYSA-N -1 1 420.556 4.430 20 0 HIADMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000479604003 894881611 /nfs/dbraw/zinc/88/16/11/894881611.db2.gz KECNLOZBGPCQGQ-UHFFFAOYSA-N -1 1 424.295 4.098 20 0 HIADMM COc1ccc2ccccc2c1-c1cc(C[N-]S(=O)(=O)c2cc(C)oc2C)on1 ZINC000479948845 895301279 /nfs/dbraw/zinc/30/12/79/895301279.db2.gz LYKMQAZBOLCGCI-UHFFFAOYSA-N -1 1 412.467 4.192 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)s1 ZINC000480262944 895670120 /nfs/dbraw/zinc/67/01/20/895670120.db2.gz JZOFLIANDIXELT-UHFFFAOYSA-N -1 1 402.122 4.322 20 0 HIADMM CC(C)[C@H]1N(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CC1(C)C ZINC000480458452 895845042 /nfs/dbraw/zinc/84/50/42/895845042.db2.gz ICEYUFYVANWLLI-LJQANCHMSA-N -1 1 422.497 4.272 20 0 HIADMM CC[C@@H](CN(CC)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)c1ccccc1 ZINC000480590022 895952748 /nfs/dbraw/zinc/95/27/48/895952748.db2.gz OUFIIMXLEGJAHU-INIZCTEOSA-N -1 1 419.547 4.114 20 0 HIADMM COCC(C)(C)CCCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000480681793 896044560 /nfs/dbraw/zinc/04/45/60/896044560.db2.gz IEJGBLNGULZXPX-UHFFFAOYSA-N -1 1 419.547 4.062 20 0 HIADMM COc1cc(C)sc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000505366380 914030053 /nfs/dbraw/zinc/03/00/53/914030053.db2.gz MBJHILVHKFWJGW-UHFFFAOYSA-N -1 1 416.524 4.427 20 0 HIADMM CCOC(=O)Cc1nnc([N-]C(=O)c2csc(-c3cccc4ccccc43)n2)s1 ZINC000480814617 896186456 /nfs/dbraw/zinc/18/64/56/896186456.db2.gz GTZYNUFGQDUDRH-UHFFFAOYSA-N -1 1 424.507 4.173 20 0 HIADMM O=S(=O)([N-][C@H]1CCCc2c(O)cccc21)c1cc(Br)sc1Cl ZINC000480869200 896231996 /nfs/dbraw/zinc/23/19/96/896231996.db2.gz OIGLVDYGBGYMBH-JTQLQIEISA-N -1 1 422.753 4.226 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)[C@H]1C ZINC000480938890 896288142 /nfs/dbraw/zinc/28/81/42/896288142.db2.gz RVSWYXNMTNJSQX-OLZOCXBDSA-N -1 1 410.898 4.150 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000481087314 896408140 /nfs/dbraw/zinc/40/81/40/896408140.db2.gz FFJXLPYEWSZNAN-HOTGVXAUSA-N -1 1 402.376 4.145 20 0 HIADMM COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000481453387 896849274 /nfs/dbraw/zinc/84/92/74/896849274.db2.gz QGAUCRJQQKXSME-UHFFFAOYSA-N -1 1 420.531 4.134 20 0 HIADMM C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000481485119 896867169 /nfs/dbraw/zinc/86/71/69/896867169.db2.gz XWXBSDSSELWKRX-PXAZEXFGSA-N -1 1 401.388 4.165 20 0 HIADMM CC[C@@H](C)CN(CC)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000481672258 897055299 /nfs/dbraw/zinc/05/52/99/897055299.db2.gz RWZVOYQHWMSNDH-QGZVFWFLSA-N -1 1 403.548 4.065 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c(Br)c1 ZINC000481817870 897191583 /nfs/dbraw/zinc/19/15/83/897191583.db2.gz MTLVGUWBBCCBGT-UHFFFAOYSA-N -1 1 414.325 4.029 20 0 HIADMM O=C(Nc1cccc2c1CCO2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000481843063 897208794 /nfs/dbraw/zinc/20/87/94/897208794.db2.gz SEVJNFUHNCSCFN-UHFFFAOYSA-N -1 1 419.662 4.131 20 0 HIADMM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481866805 897235892 /nfs/dbraw/zinc/23/58/92/897235892.db2.gz AFYWOCSGUCLHGQ-UHFFFAOYSA-N -1 1 423.899 4.077 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c2ccccc12 ZINC000481943314 897331171 /nfs/dbraw/zinc/33/11/71/897331171.db2.gz LYGBHOOHBOJDGQ-UHFFFAOYSA-N -1 1 412.515 4.370 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccccc3)c2C)c2ccccc12 ZINC000481945272 897332841 /nfs/dbraw/zinc/33/28/41/897332841.db2.gz SLRYJUXNYYRHPI-UHFFFAOYSA-N -1 1 420.494 4.298 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1Cl ZINC000481977165 897370804 /nfs/dbraw/zinc/37/08/04/897370804.db2.gz XFRMNCGCLOOLKV-UHFFFAOYSA-N -1 1 400.887 4.351 20 0 HIADMM CSCCCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000482249909 897731360 /nfs/dbraw/zinc/73/13/60/897731360.db2.gz XDIOCNIFHPXWFF-UHFFFAOYSA-N -1 1 424.563 4.198 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)c4ccccc43)c2)cc1 ZINC000482343379 897852601 /nfs/dbraw/zinc/85/26/01/897852601.db2.gz QNZUKHGEJAFRFM-MRXNPFEDSA-N -1 1 422.506 4.260 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(OC)cc1 ZINC000505519125 914209855 /nfs/dbraw/zinc/20/98/55/914209855.db2.gz DAJVNCCSKLBCSR-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 ZINC000482602251 898203356 /nfs/dbraw/zinc/20/33/56/898203356.db2.gz KKHNMCNFHZTYFU-UHFFFAOYSA-N -1 1 413.275 4.378 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2nc(-c3cccs3)no2)c1 ZINC000482605262 898205950 /nfs/dbraw/zinc/20/59/50/898205950.db2.gz LUXDAGDVKPVFDD-UHFFFAOYSA-N -1 1 408.277 4.146 20 0 HIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc(OC)c1 ZINC000505537880 914233495 /nfs/dbraw/zinc/23/34/95/914233495.db2.gz HHBGAJNTLAOZDH-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1cccc(OC)c1 ZINC000505538033 914233912 /nfs/dbraw/zinc/23/39/12/914233912.db2.gz JKNWISSNIJAOHH-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2csc(-c3ncccc3F)n2)c1 ZINC000482674703 898277940 /nfs/dbraw/zinc/27/79/40/898277940.db2.gz PFFVUMVMSYBZJB-UHFFFAOYSA-N -1 1 408.252 4.373 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1 ZINC000482680071 898282248 /nfs/dbraw/zinc/28/22/48/898282248.db2.gz YFKSSEGQFHXLTP-ZDUSSCGKSA-N -1 1 406.276 4.273 20 0 HIADMM Cc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])nnn1-c1ccccc1Cl ZINC000482736751 898338009 /nfs/dbraw/zinc/33/80/09/898338009.db2.gz PJBAHGFXOWOIEB-UHFFFAOYSA-N -1 1 421.682 4.258 20 0 HIADMM Cc1noc(C)c1Cc1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000482754992 898360119 /nfs/dbraw/zinc/36/01/19/898360119.db2.gz BBPJQNNERNNPLR-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM CC[C@H](C)n1ncc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1C ZINC000482759890 898366970 /nfs/dbraw/zinc/36/69/70/898366970.db2.gz MLPGDRJZDKBPCC-HNNXBMFYSA-N -1 1 412.515 4.216 20 0 HIADMM Cc1ccccc1COc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000483140381 898820548 /nfs/dbraw/zinc/82/05/48/898820548.db2.gz OZBIWAMELVTKGX-UHFFFAOYSA-N -1 1 410.451 4.222 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C3CCCCC3)c2)c1 ZINC000483168048 898837051 /nfs/dbraw/zinc/83/70/51/898837051.db2.gz RBNDLTDBULPIHI-UHFFFAOYSA-N -1 1 421.584 4.352 20 0 HIADMM COc1ccc([C@H](C)N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000483254208 898895883 /nfs/dbraw/zinc/89/58/83/898895883.db2.gz RYZMEHGQRMUYCE-KRWDZBQOSA-N -1 1 424.522 4.329 20 0 HIADMM Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)cc2o1 ZINC000483411347 899039908 /nfs/dbraw/zinc/03/99/08/899039908.db2.gz DDEQVKPIHSFJKL-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM CSCCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000483792814 899462444 /nfs/dbraw/zinc/46/24/44/899462444.db2.gz BCYWIAAEBOJSDH-UHFFFAOYSA-N -1 1 424.563 4.198 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000484438265 899945439 /nfs/dbraw/zinc/94/54/39/899945439.db2.gz MWLWZVXKICYVRB-QGZVFWFLSA-N -1 1 420.488 4.031 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CCCCC2)c1 ZINC000484662667 900107574 /nfs/dbraw/zinc/10/75/74/900107574.db2.gz IIVGKRDXLIQNGN-UHFFFAOYSA-N -1 1 402.516 4.153 20 0 HIADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000484993992 900347977 /nfs/dbraw/zinc/34/79/77/900347977.db2.gz OTDNTFWVIYQYLT-UHFFFAOYSA-N -1 1 419.405 4.139 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(F)cc2)cc1 ZINC000484994608 900348800 /nfs/dbraw/zinc/34/88/00/900348800.db2.gz QYYJNECCGWSDLE-UHFFFAOYSA-N -1 1 402.422 4.391 20 0 HIADMM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000485102234 900410749 /nfs/dbraw/zinc/41/07/49/900410749.db2.gz QGKAYYJOPROUJN-UHFFFAOYSA-N -1 1 420.339 4.200 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000485396317 900694361 /nfs/dbraw/zinc/69/43/61/900694361.db2.gz KWHRHVJZSTYFGH-UHFFFAOYSA-N -1 1 404.507 4.260 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ocnc1C1CC1 ZINC000485422711 900721542 /nfs/dbraw/zinc/72/15/42/900721542.db2.gz QCBUOTZHCFCUJN-UHFFFAOYSA-N -1 1 417.874 4.259 20 0 HIADMM CCc1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1CC ZINC000486089914 901278705 /nfs/dbraw/zinc/27/87/05/901278705.db2.gz PNDZMMPKKVMQRD-HNNXBMFYSA-N -1 1 407.507 4.167 20 0 HIADMM CN(C)Cc1cnc(/C=C/c2cc(C(=O)[O-])nc(-c3ccc(Cl)cc3)n2)s1 ZINC000486201034 901386104 /nfs/dbraw/zinc/38/61/04/901386104.db2.gz YJNRJALWJBHQHZ-BQYQJAHWSA-N -1 1 400.891 4.184 20 0 HIADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)c1 ZINC000486541831 901690558 /nfs/dbraw/zinc/69/05/58/901690558.db2.gz CDVTYJYCCJEESD-UHFFFAOYSA-N -1 1 420.874 4.345 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(Br)c1F)c1ccc(F)cc1Cl ZINC000486562224 901707061 /nfs/dbraw/zinc/70/70/61/901707061.db2.gz XKQQWKQEMDOMGJ-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)C(C)C)cc3)c2C1 ZINC000486755978 901832773 /nfs/dbraw/zinc/83/27/73/901832773.db2.gz AEHGOSRKXTZKFP-UHFFFAOYSA-N -1 1 400.544 4.298 20 0 HIADMM COc1cc(NC(=O)[C@H](c2cccc(Cl)c2)C(C)C)ccc1[N-]S(C)(=O)=O ZINC000486797656 901860779 /nfs/dbraw/zinc/86/07/79/901860779.db2.gz WRLQNEBESNONDB-SFHVURJKSA-N -1 1 410.923 4.098 20 0 HIADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488233414 902709907 /nfs/dbraw/zinc/70/99/07/902709907.db2.gz QRUITWYPGZNENC-DEOSSOPVSA-N -1 1 411.854 4.038 20 0 HIADMM O=C(Nc1ccc2c(c1)CCCO2)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505992674 914660816 /nfs/dbraw/zinc/66/08/16/914660816.db2.gz ZCPIVMGQDORIEA-UHFFFAOYSA-N -1 1 408.479 4.065 20 0 HIADMM CCc1cc(C)c(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)o1 ZINC000488497853 902855933 /nfs/dbraw/zinc/85/59/33/902855933.db2.gz GFPKVROTSHQYJZ-UHFFFAOYSA-N -1 1 416.474 4.020 20 0 HIADMM CCc1cccnc1NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000505997955 914667614 /nfs/dbraw/zinc/66/76/14/914667614.db2.gz UERDYYPIFSCFKN-UHFFFAOYSA-N -1 1 409.511 4.314 20 0 HIADMM CC(C)(Cc1ccccc1Cl)[N-]S(=O)(=O)c1sccc1Br ZINC000488732125 902969609 /nfs/dbraw/zinc/96/96/09/902969609.db2.gz ZQRBWZCBYYCVND-UHFFFAOYSA-N -1 1 408.770 4.464 20 0 HIADMM Cc1ccc(C[C@H](C)C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000489000160 903113716 /nfs/dbraw/zinc/11/37/16/903113716.db2.gz QEPQZMRLHYJFRO-IBGZPJMESA-N -1 1 422.550 4.291 20 0 HIADMM Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2o1 ZINC000489506349 903428597 /nfs/dbraw/zinc/42/85/97/903428597.db2.gz BCDYJBJPMJLBPZ-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(-c4n[nH]c(C5CC5)n4)cc3)ccc21 ZINC000489710735 903552834 /nfs/dbraw/zinc/55/28/34/903552834.db2.gz TXUJZURJGLCWHD-UHFFFAOYSA-N -1 1 422.514 4.081 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc([C@H]4C[C@@H]4C)[nH]n3)cc2)c1C ZINC000490258351 903857727 /nfs/dbraw/zinc/85/77/27/903857727.db2.gz LXKUTLPQVYKYQR-KSSFIOAISA-N -1 1 424.526 4.203 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([C@@H]4C[C@@H]4C)[nH]n3)cc2)c1 ZINC000490268681 903865366 /nfs/dbraw/zinc/86/53/66/903865366.db2.gz CLSSXTGABRBTNQ-MAUKXSAKSA-N -1 1 424.526 4.203 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc(C2CC2)no1 ZINC000490413318 903995889 /nfs/dbraw/zinc/99/58/89/903995889.db2.gz LTVBBUDATJQKLX-CYBMUJFWSA-N -1 1 423.844 4.295 20 0 HIADMM O=C(NCCc1ccccc1OC(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000490546435 904091163 /nfs/dbraw/zinc/09/11/63/904091163.db2.gz QITVYOOBGXUSBS-UHFFFAOYSA-N -1 1 404.182 4.026 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000490585625 904116682 /nfs/dbraw/zinc/11/66/82/904116682.db2.gz LHNNLDRFELYICS-UHFFFAOYSA-N -1 1 404.304 4.102 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNc2ncnc3sccc32)cc1 ZINC000506132782 914816786 /nfs/dbraw/zinc/81/67/86/914816786.db2.gz RHWDKCOFDFVDHT-UHFFFAOYSA-N -1 1 414.487 4.243 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000491541129 904643238 /nfs/dbraw/zinc/64/32/38/904643238.db2.gz JAZMSVIBDXIACO-NRFANRHFSA-N -1 1 400.910 4.151 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2Br)cc1OC ZINC000491596368 904667701 /nfs/dbraw/zinc/66/77/01/904667701.db2.gz JSCXUAIFBMUQMP-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000491722615 904689646 /nfs/dbraw/zinc/68/96/46/904689646.db2.gz YTXZYQBBDKTYGC-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM CCCCOc1ccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c(C)c1 ZINC000492128763 904803058 /nfs/dbraw/zinc/80/30/58/904803058.db2.gz SIBUKJZAQVMTAC-UHFFFAOYSA-N -1 1 406.486 4.221 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)on1 ZINC000493952815 905302306 /nfs/dbraw/zinc/30/23/06/905302306.db2.gz NYMKASLKTPLEBR-UHFFFAOYSA-N -1 1 421.744 4.473 20 0 HIADMM Cc1ccc(C(=O)N[C@H](C)CC2CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000494021693 905364010 /nfs/dbraw/zinc/36/40/10/905364010.db2.gz YVAAALITRFYKHD-CQSZACIVSA-N -1 1 406.935 4.368 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(CO)ccc3C)cc2)cc1C ZINC000494808075 906009089 /nfs/dbraw/zinc/00/90/89/906009089.db2.gz KMXOAKPJLGPKRD-UHFFFAOYSA-N -1 1 424.522 4.157 20 0 HIADMM CCC(CC)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000494843204 906033319 /nfs/dbraw/zinc/03/33/19/906033319.db2.gz YPWAOXANIANXRD-UHFFFAOYSA-N -1 1 404.532 4.147 20 0 HIADMM Cc1cnc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)c([O-])c1 ZINC000495128639 906259041 /nfs/dbraw/zinc/25/90/41/906259041.db2.gz COHDWSIVBXVXLW-UHFFFAOYSA-N -1 1 404.495 4.282 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3cccc(-c4ccccc4)c3)CC2)n1 ZINC000495589868 906508971 /nfs/dbraw/zinc/50/89/71/906508971.db2.gz FYDPYBQMSVULGQ-UHFFFAOYSA-N -1 1 419.485 4.060 20 0 HIADMM C[C@H](CC1CC1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000497112661 906806661 /nfs/dbraw/zinc/80/66/61/906806661.db2.gz FLQHFKVMLWJEGH-GFCCVEGCSA-N -1 1 410.898 4.198 20 0 HIADMM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000512743654 921300224 /nfs/dbraw/zinc/30/02/24/921300224.db2.gz YOHLGQYYUFKWCF-UHFFFAOYSA-N -1 1 410.495 4.265 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(Br)cc1F)c1cnc2ccsc2c1 ZINC000512767173 921304002 /nfs/dbraw/zinc/30/40/02/921304002.db2.gz PDNJYAZPAWOPQI-UHFFFAOYSA-N -1 1 405.245 4.138 20 0 HIADMM CCCn1ncc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C1CC1 ZINC000497897993 907371202 /nfs/dbraw/zinc/37/12/02/907371202.db2.gz CZOAOQMUWMUKFB-UHFFFAOYSA-N -1 1 424.526 4.224 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)cc1 ZINC000497910893 907381949 /nfs/dbraw/zinc/38/19/49/907381949.db2.gz ADJFUCSAZMVUFG-MRXNPFEDSA-N -1 1 409.573 4.324 20 0 HIADMM CC(C)c1nc(C(=O)[N-]c2nc(-c3cccs3)ns2)nn1-c1ccccc1F ZINC000497988579 907466725 /nfs/dbraw/zinc/46/67/25/907466725.db2.gz LJXRFBYEFLGRLS-UHFFFAOYSA-N -1 1 414.491 4.362 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOc4ccccc43)ccc2C)cc1 ZINC000512831064 921334003 /nfs/dbraw/zinc/33/40/03/921334003.db2.gz FAOWYBWQMLTQIR-UHFFFAOYSA-N -1 1 422.506 4.143 20 0 HIADMM CCc1cnccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000498077475 907586674 /nfs/dbraw/zinc/58/66/74/907586674.db2.gz DAWLWYMSWPZKPP-UHFFFAOYSA-N -1 1 409.511 4.314 20 0 HIADMM Cc1cc(CNC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1F ZINC000498227176 907756783 /nfs/dbraw/zinc/75/67/83/907756783.db2.gz QKOKOQOXWVVRRG-UHFFFAOYSA-N -1 1 413.474 4.257 20 0 HIADMM CCCCCc1nnc([N-]C(=O)c2nc(CC)n(-c3ccccc3Cl)n2)s1 ZINC000498285574 907818695 /nfs/dbraw/zinc/81/86/95/907818695.db2.gz NPHHAIQCMIRJCC-UHFFFAOYSA-N -1 1 404.927 4.320 20 0 HIADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000498425744 907896184 /nfs/dbraw/zinc/89/61/84/907896184.db2.gz ZHPOTBYUWUFBIC-UHFFFAOYSA-N -1 1 419.499 4.153 20 0 HIADMM CC[C@H](C)Sc1ccc(NS(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c(C)c1 ZINC000498426230 907896413 /nfs/dbraw/zinc/89/64/13/907896413.db2.gz QXUMXXXRVYVEQY-AWEZNQCLSA-N -1 1 423.556 4.322 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1Oc1ccc(C)nn1 ZINC000498480631 907951188 /nfs/dbraw/zinc/95/11/88/907951188.db2.gz JZZJXAMMIFYZHG-UHFFFAOYSA-N -1 1 417.512 4.109 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3O)ccc2C)c1 ZINC000498844908 908249948 /nfs/dbraw/zinc/24/99/48/908249948.db2.gz ARTYYCDTZSIWBO-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H](C)C1 ZINC000499146959 908505573 /nfs/dbraw/zinc/50/55/73/908505573.db2.gz NOKSXNCXTUXPTR-QEEYODRMSA-N -1 1 404.507 4.181 20 0 HIADMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000499563836 908841906 /nfs/dbraw/zinc/84/19/06/908841906.db2.gz QYQWHAACPXXKON-AWEZNQCLSA-N -1 1 402.447 4.053 20 0 HIADMM Cc1ccc(C[C@@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000499623149 908858686 /nfs/dbraw/zinc/85/86/86/908858686.db2.gz AOLMGNHKLLIRRJ-NRFANRHFSA-N -1 1 416.525 4.027 20 0 HIADMM CCCN(CC(C)C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000499662044 908868854 /nfs/dbraw/zinc/86/88/54/908868854.db2.gz UYEROPRPDJBZQR-UHFFFAOYSA-N -1 1 406.523 4.443 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000499712174 908885310 /nfs/dbraw/zinc/88/53/10/908885310.db2.gz HBQAHCBHSVAEIZ-MRXNPFEDSA-N -1 1 419.312 4.095 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000500075877 909546380 /nfs/dbraw/zinc/54/63/80/909546380.db2.gz QRDUDJSMRDWQQO-GOSISDBHSA-N -1 1 424.497 4.256 20 0 HIADMM CCn1ncc2ccc([N-]S(=O)(=O)c3c(C)cc(Br)cc3C)cc21 ZINC000500286521 909759872 /nfs/dbraw/zinc/75/98/72/909759872.db2.gz HVPJAQJFBANXEL-UHFFFAOYSA-N -1 1 408.321 4.236 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000500297268 909765272 /nfs/dbraw/zinc/76/52/72/909765272.db2.gz MYADKMMFWDNXCC-UHFFFAOYSA-N -1 1 414.449 4.297 20 0 HIADMM O=C(Nc1ccc(-c2ncco2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000500579311 909942987 /nfs/dbraw/zinc/94/29/87/909942987.db2.gz AJWQZDXYGJTDKB-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@@](C)(F)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000500584254 909946255 /nfs/dbraw/zinc/94/62/55/909946255.db2.gz DZVGYSQJQPNEIL-LJQANCHMSA-N -1 1 410.898 4.023 20 0 HIADMM CSc1ccsc1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000500653408 909995414 /nfs/dbraw/zinc/99/54/14/909995414.db2.gz ZBCBVGKDZQGFBO-UHFFFAOYSA-N -1 1 418.565 4.201 20 0 HIADMM O=C(NC1CCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000501037703 910253738 /nfs/dbraw/zinc/25/37/38/910253738.db2.gz SMCMFIYQHNXFJR-UHFFFAOYSA-N -1 1 406.507 4.437 20 0 HIADMM Cc1ccccc1C1=CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000501557814 910663830 /nfs/dbraw/zinc/66/38/30/910663830.db2.gz RZHQBWGLUWIFSY-UHFFFAOYSA-N -1 1 418.518 4.335 20 0 HIADMM CCc1cccc(CC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000501683223 910754891 /nfs/dbraw/zinc/75/48/91/910754891.db2.gz OAVMORWQGCKTJH-UHFFFAOYSA-N -1 1 422.550 4.251 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)cc1 ZINC000501856170 910887498 /nfs/dbraw/zinc/88/74/98/910887498.db2.gz DPOAFSCMMWEMIF-UHFFFAOYSA-N -1 1 418.559 4.457 20 0 HIADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000502197294 911141173 /nfs/dbraw/zinc/14/11/73/911141173.db2.gz MZVMTGQQUUUADC-HZPDHXFCSA-N -1 1 404.507 4.135 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](C)C[C@H](C)C3)c2)cc1 ZINC000502218405 911161252 /nfs/dbraw/zinc/16/12/52/911161252.db2.gz HTHHTKICHQLKFA-SJORKVTESA-N -1 1 416.543 4.004 20 0 HIADMM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502449839 911437748 /nfs/dbraw/zinc/43/77/48/911437748.db2.gz GOAMBLICRJGFOX-MRVPVSSYSA-N -1 1 412.733 4.213 20 0 HIADMM Cc1ccc(C(=O)NCc2cccc(F)c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000502817081 911832466 /nfs/dbraw/zinc/83/24/66/911832466.db2.gz UUJOMZAPIBJNSR-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM O=S(=O)([N-]c1cccc(OC[C@H]2CCCO2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000513369137 921744177 /nfs/dbraw/zinc/74/41/77/921744177.db2.gz AYKGNQDBMZEPNZ-CQSZACIVSA-N -1 1 419.396 4.203 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1)N1CCCC1 ZINC000506690694 915368715 /nfs/dbraw/zinc/36/87/15/915368715.db2.gz SCZDWBGHJNZIGC-UHFFFAOYSA-N -1 1 406.507 4.390 20 0 HIADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)ccc1C ZINC000506706301 915383618 /nfs/dbraw/zinc/38/36/18/915383618.db2.gz JIBPQUGULULCPP-UHFFFAOYSA-N -1 1 414.483 4.244 20 0 HIADMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)c1 ZINC000506848866 915630047 /nfs/dbraw/zinc/63/00/47/915630047.db2.gz NXGLLPYUWZCFDD-KRWDZBQOSA-N -1 1 418.559 4.330 20 0 HIADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)[nH]n1 ZINC000506861323 915646083 /nfs/dbraw/zinc/64/60/83/915646083.db2.gz LIDMJIFRLMAUPX-SECBINFHSA-N -1 1 420.318 4.208 20 0 HIADMM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000507536627 916292791 /nfs/dbraw/zinc/29/27/91/916292791.db2.gz SMSZWAUTJVZLDT-UHFFFAOYSA-N -1 1 421.733 4.126 20 0 HIADMM O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507909969 916785554 /nfs/dbraw/zinc/78/55/54/916785554.db2.gz ULODKLOCSVTSGR-MRXNPFEDSA-N -1 1 413.861 4.027 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C2Cc3ccccc3C2)cc1 ZINC000507994702 916835578 /nfs/dbraw/zinc/83/55/78/916835578.db2.gz JMXVGGSNTVGAED-UHFFFAOYSA-N -1 1 420.534 4.035 20 0 HIADMM COc1ccc(F)c(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000507995713 916836666 /nfs/dbraw/zinc/83/66/66/916836666.db2.gz WMTDXKIJLNMZLV-UHFFFAOYSA-N -1 1 414.502 4.267 20 0 HIADMM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCCCC2)cc1C ZINC000508126850 916944372 /nfs/dbraw/zinc/94/43/72/916944372.db2.gz GNNPRILXQGVDKN-UHFFFAOYSA-N -1 1 418.559 4.201 20 0 HIADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000508221526 917039640 /nfs/dbraw/zinc/03/96/40/917039640.db2.gz JNTZPMFQMJSKBU-JOCHJYFZSA-N -1 1 406.507 4.213 20 0 HIADMM COc1ccc(Br)cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000508236295 917053986 /nfs/dbraw/zinc/05/39/86/917053986.db2.gz XAXCYMWUIVIOOS-UHFFFAOYSA-N -1 1 417.300 4.218 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc(Cl)c1[O-] ZINC000508824744 917577598 /nfs/dbraw/zinc/57/75/98/917577598.db2.gz BYQROIKDJQJWMF-LBPRGKRZSA-N -1 1 403.841 4.260 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(F)c1 ZINC000509073810 917818398 /nfs/dbraw/zinc/81/83/98/917818398.db2.gz DVGMQVWWRQBBDE-UHFFFAOYSA-N -1 1 416.396 4.081 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000509074979 917819636 /nfs/dbraw/zinc/81/96/36/917819636.db2.gz NHJSDIFFFHTTED-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM Cc1c(=O)[n-]c(SC[C@H]2CCN(C(=O)c3ccccc3)C2)nc1-c1ccccc1 ZINC000509088354 917830837 /nfs/dbraw/zinc/83/08/37/917830837.db2.gz BPKYDUBSPMNQAZ-KRWDZBQOSA-N -1 1 405.523 4.412 20 0 HIADMM Cc1nnc(SCC(=O)Nc2ccc([O-])c(Cl)c2)n1-c1cc(C)ccc1C ZINC000509163833 917879255 /nfs/dbraw/zinc/87/92/55/917879255.db2.gz FDLDIEHDUHYSOU-UHFFFAOYSA-N -1 1 402.907 4.282 20 0 HIADMM O=C(CSc1nc2ccccc2nc1N1CCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000509172727 917885346 /nfs/dbraw/zinc/88/53/46/917885346.db2.gz ZQSQHAMWHGNZSK-UHFFFAOYSA-N -1 1 414.918 4.320 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)ccc2o1 ZINC000509213516 917914455 /nfs/dbraw/zinc/91/44/55/917914455.db2.gz VVYBOKWBBOBVEI-UHFFFAOYSA-N -1 1 414.405 4.145 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1c(Cl)cccc1Br ZINC000509269109 917955329 /nfs/dbraw/zinc/95/53/29/917955329.db2.gz IWSDWTKQORWUQU-VIFPVBQESA-N -1 1 402.688 4.206 20 0 HIADMM Cc1ccc(CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C(C)C)s1 ZINC000509350962 918016544 /nfs/dbraw/zinc/01/65/44/918016544.db2.gz OKVOJZKCEAJPKI-UHFFFAOYSA-N -1 1 410.543 4.292 20 0 HIADMM CO[C@@H](C)c1nsc(=NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)[n-]1 ZINC000509602786 918252602 /nfs/dbraw/zinc/25/26/02/918252602.db2.gz SXBWDJQUWQIFNL-NSHDSACASA-N -1 1 401.363 4.051 20 0 HIADMM CSc1cc2c(cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1)OCCO2 ZINC000509610542 918256559 /nfs/dbraw/zinc/25/65/59/918256559.db2.gz KKXJCVUYNUWGTJ-UHFFFAOYSA-N -1 1 409.529 4.015 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000509675153 918306720 /nfs/dbraw/zinc/30/67/20/918306720.db2.gz IPEZNQKLTPHRTR-UHFFFAOYSA-N -1 1 411.483 4.233 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000509887764 918488878 /nfs/dbraw/zinc/48/88/78/918488878.db2.gz ZLPCCWPBEUDWTG-FQEVSTJZSA-N -1 1 408.546 4.447 20 0 HIADMM O=C(NC1(c2ccccc2)CCC1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000509958184 918550463 /nfs/dbraw/zinc/55/04/63/918550463.db2.gz HQMSJVGUMPESAD-UHFFFAOYSA-N -1 1 424.497 4.436 20 0 HIADMM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000510340583 918841910 /nfs/dbraw/zinc/84/19/10/918841910.db2.gz WHPKFJADYQGKDC-UHFFFAOYSA-N -1 1 405.483 4.475 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccn3)ccc2C)cc1 ZINC000511128178 919742525 /nfs/dbraw/zinc/74/25/25/919742525.db2.gz AIFZXEDMDSRIJS-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000511206140 919818166 /nfs/dbraw/zinc/81/81/66/919818166.db2.gz ZJOAKZVKFJYMHR-INIZCTEOSA-N -1 1 404.532 4.051 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)cc2)c(C)c1 ZINC000511286952 919882155 /nfs/dbraw/zinc/88/21/55/919882155.db2.gz GYPHOEFTEVEWGX-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4[nH]cnc4c3)c2)c1 ZINC000511296577 919892006 /nfs/dbraw/zinc/89/20/06/919892006.db2.gz PKAJCEVDHMIPBZ-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4[nH]cnc4c3)c2)cc1F ZINC000511342111 919935105 /nfs/dbraw/zinc/93/51/05/919935105.db2.gz FSMNYYRMTGFSGE-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(SCc4cccs4)s3)nn2)c1 ZINC000511631453 920293221 /nfs/dbraw/zinc/29/32/21/920293221.db2.gz VXQJMLVTFJDNNM-UHFFFAOYSA-N -1 1 414.541 4.033 20 0 HIADMM CN(Cc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000511949790 920706085 /nfs/dbraw/zinc/70/60/85/920706085.db2.gz FNGDGYUBRDBOQS-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM Cc1cc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)ccc1Oc1cccnc1 ZINC000512138591 920885289 /nfs/dbraw/zinc/88/52/89/920885289.db2.gz ICCSJIGMUIEZII-UHFFFAOYSA-N -1 1 417.469 4.119 20 0 HIADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)s1 ZINC000512292297 921046321 /nfs/dbraw/zinc/04/63/21/921046321.db2.gz AUDDYYUJDLPWSE-SECBINFHSA-N -1 1 422.308 4.041 20 0 HIADMM O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000513549690 921886211 /nfs/dbraw/zinc/88/62/11/921886211.db2.gz XMMRSGAJEMNUBD-GOEBONIOSA-N -1 1 401.388 4.008 20 0 HIADMM Cc1ccc(NC(=O)c2cnc(C)nc2C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000513551840 921888801 /nfs/dbraw/zinc/88/88/01/921888801.db2.gz FAVKSTUEHWEJAL-UHFFFAOYSA-N -1 1 424.526 4.270 20 0 HIADMM CC(C)[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000513688529 922010255 /nfs/dbraw/zinc/01/02/55/922010255.db2.gz JMUKXPBGWCSGDC-GOSISDBHSA-N -1 1 400.544 4.386 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C)C3)cc2)c(C)c1C ZINC000513696259 922017567 /nfs/dbraw/zinc/01/75/67/922017567.db2.gz VNHIHDXNHMYDTI-UHFFFAOYSA-N -1 1 400.544 4.121 20 0 HIADMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000513718110 922038223 /nfs/dbraw/zinc/03/82/23/922038223.db2.gz JBCFBHJXOPDKDB-CQSZACIVSA-N -1 1 413.499 4.225 20 0 HIADMM CC[C@@H]1C[C@@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513728620 922048471 /nfs/dbraw/zinc/04/84/71/922048471.db2.gz BBNZTWQCXUNKRI-QFBILLFUSA-N -1 1 402.516 4.021 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000513730580 922051273 /nfs/dbraw/zinc/05/12/73/922051273.db2.gz LXXCAEAFJPEDGL-GOSISDBHSA-N -1 1 400.544 4.272 20 0 HIADMM [O-]C(=Cc1c[nH]c2cccc(Br)c12)Nc1nc(-c2ccccc2)ns1 ZINC000513738711 922059116 /nfs/dbraw/zinc/05/91/16/922059116.db2.gz YGSVJCFPSAOYRU-UHFFFAOYSA-N -1 1 413.300 4.052 20 0 HIADMM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1sccc1Br ZINC000513850031 922171946 /nfs/dbraw/zinc/17/19/46/922171946.db2.gz LMKBWFFHNSTMKI-VIFPVBQESA-N -1 1 417.375 4.030 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(-c4cc(C)ccc4OC)nc3c2)cc1 ZINC000513857992 922184281 /nfs/dbraw/zinc/18/42/81/922184281.db2.gz SYGUQTUZIBNPRU-UHFFFAOYSA-N -1 1 423.494 4.356 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)c(O)c1 ZINC000514858865 922825477 /nfs/dbraw/zinc/82/54/77/922825477.db2.gz QMUIIRRSRCWBJB-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1c(F)ccc([O-])c1F ZINC000515332086 923056110 /nfs/dbraw/zinc/05/61/10/923056110.db2.gz OYKOEAMEPSRYDG-UHFFFAOYSA-N -1 1 412.165 4.214 20 0 HIADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000515333925 923056937 /nfs/dbraw/zinc/05/69/37/923056937.db2.gz HQWDAYYVCQQNLS-JTQLQIEISA-N -1 1 409.458 4.468 20 0 HIADMM O=C(NCCc1ccc(Cl)s1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000515573254 923189722 /nfs/dbraw/zinc/18/97/22/923189722.db2.gz VXVAWFNEVHVXBA-UHFFFAOYSA-N -1 1 420.943 4.175 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)cn1 ZINC000515586959 923201985 /nfs/dbraw/zinc/20/19/85/923201985.db2.gz HYVSFXYHGAUKBE-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c1 ZINC000515656001 923245258 /nfs/dbraw/zinc/24/52/58/923245258.db2.gz AJQBXQSJCKNSIG-UHFFFAOYSA-N -1 1 411.479 4.161 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3[C@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000515707825 923289011 /nfs/dbraw/zinc/28/90/11/923289011.db2.gz NVHZOBKJLVNQDW-JIPZTSHUSA-N -1 1 416.543 4.051 20 0 HIADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1 ZINC000515966870 923466780 /nfs/dbraw/zinc/46/67/80/923466780.db2.gz GTXYVSPJZYIKJZ-MGPUTAFESA-N -1 1 410.495 4.134 20 0 HIADMM O=C([C@@H](Sc1ccccc1Cl)c1ccccc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000516032191 923510432 /nfs/dbraw/zinc/51/04/32/923510432.db2.gz IFCGYFJWKDHFGQ-YJBOKZPZSA-N -1 1 413.934 4.093 20 0 HIADMM COc1ccc(NC(=O)C2(c3cccc(F)c3)CCCCC2)cc1[N-]S(C)(=O)=O ZINC000516254260 923629759 /nfs/dbraw/zinc/62/97/59/923629759.db2.gz MKADTMLYKNKXEH-UHFFFAOYSA-N -1 1 420.506 4.046 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@H]2C(C)C)c1 ZINC000516397705 923710550 /nfs/dbraw/zinc/71/05/50/923710550.db2.gz MQEACUKVFMYWPJ-IBGZPJMESA-N -1 1 404.507 4.196 20 0 HIADMM CC1(C)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@@H]1c1cccnc1 ZINC000516487143 923755172 /nfs/dbraw/zinc/75/51/72/923755172.db2.gz WLKBHFYDLGNARF-OAQYLSRUSA-N -1 1 421.522 4.106 20 0 HIADMM O=S(=O)(Cc1ccc(OCC(F)(F)F)cc1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000517070495 923984620 /nfs/dbraw/zinc/98/46/20/923984620.db2.gz NPAHXZTXTBHTAD-UHFFFAOYSA-N -1 1 414.380 4.131 20 0 HIADMM O=S(=O)(Cc1ccc(OCC(F)(F)F)cc1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000517070495 923984626 /nfs/dbraw/zinc/98/46/26/923984626.db2.gz NPAHXZTXTBHTAD-UHFFFAOYSA-N -1 1 414.380 4.131 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000517158000 924029274 /nfs/dbraw/zinc/02/92/74/924029274.db2.gz BWSUFSGYJJCLHC-UHFFFAOYSA-N -1 1 404.469 4.088 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)c4ccccc4)c3)ccc2O1 ZINC000517298400 924086107 /nfs/dbraw/zinc/08/61/07/924086107.db2.gz KKYGQOLOMNICRH-HNNXBMFYSA-N -1 1 408.479 4.063 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@@H](C)C2)ccc1OC(C)C ZINC000517611690 926719269 /nfs/dbraw/zinc/71/92/69/926719269.db2.gz SRDVDQOSLQLUHK-HDICACEKSA-N -1 1 418.559 4.197 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(CC)CC3)cc2)cc1 ZINC000517676791 926781996 /nfs/dbraw/zinc/78/19/96/926781996.db2.gz OSIOSERXDXUVLP-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@H](C)N(Cc1ccccc1)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000517806226 926845151 /nfs/dbraw/zinc/84/51/51/926845151.db2.gz WNAVMGNHFZMCJK-KRWDZBQOSA-N -1 1 404.514 4.313 20 0 HIADMM CC(C)[C@@H](C)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000517884204 926874675 /nfs/dbraw/zinc/87/46/75/926874675.db2.gz IILWPPVYFWRUSQ-OAHLLOKOSA-N -1 1 404.507 4.276 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1COCc1ccccc1 ZINC000517924630 926892182 /nfs/dbraw/zinc/89/21/82/926892182.db2.gz AIRUKMUXNRWWCJ-UHFFFAOYSA-N -1 1 417.508 4.272 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)ccc1F ZINC000517935560 926895954 /nfs/dbraw/zinc/89/59/54/926895954.db2.gz ZEQUKBCWQFQNIC-UHFFFAOYSA-N -1 1 404.507 4.115 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C3CC3)C3CCCC3)cc2)cc1 ZINC000518069033 927004808 /nfs/dbraw/zinc/00/48/08/927004808.db2.gz IKBJHMRBZLAAQQ-UHFFFAOYSA-N -1 1 414.527 4.043 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc2[nH]ccc2c1 ZINC000518072760 927007351 /nfs/dbraw/zinc/00/73/51/927007351.db2.gz KTWIONRVZGUPMM-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCC4)cc2)cc1 ZINC000518240811 927099559 /nfs/dbraw/zinc/09/95/59/927099559.db2.gz FNFNSVYUJOWXCJ-UHFFFAOYSA-N -1 1 410.543 4.281 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccccc3NCC(F)(F)F)cc2)co1 ZINC000518348856 927211857 /nfs/dbraw/zinc/21/18/57/927211857.db2.gz XJKYKIDNHRMVCN-UHFFFAOYSA-N -1 1 411.405 4.425 20 0 HIADMM O=S(=O)([N-]CCCCCOC1CCCCC1)c1sccc1Br ZINC000518440519 927272937 /nfs/dbraw/zinc/27/29/37/927272937.db2.gz JGOIGVYVHJMUDT-UHFFFAOYSA-N -1 1 410.399 4.309 20 0 HIADMM C[C@@H](c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1)C1CC1 ZINC000518451190 927284355 /nfs/dbraw/zinc/28/43/55/927284355.db2.gz BVSWRPYMDVALDF-LLVKDONJSA-N -1 1 405.426 4.329 20 0 HIADMM O=C(NCc1ccoc1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000518509389 927317298 /nfs/dbraw/zinc/31/72/98/927317298.db2.gz DCXXJUZZLLXKKW-UHFFFAOYSA-N -1 1 424.400 4.029 20 0 HIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(Br)c3Cl)ccc12 ZINC000518553583 927342554 /nfs/dbraw/zinc/34/25/54/927342554.db2.gz HYRGGHYGHVSBHN-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCC3)cc1 ZINC000518743265 927470668 /nfs/dbraw/zinc/47/06/68/927470668.db2.gz UEBDEJSJNSUUQC-UHFFFAOYSA-N -1 1 402.907 4.044 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4cccnc4)no3)cc2)ccc1F ZINC000518852583 927558788 /nfs/dbraw/zinc/55/87/88/927558788.db2.gz CIHHXDMMQWMQCU-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccccc3Cl)cc2)cc1 ZINC000518916103 927623637 /nfs/dbraw/zinc/62/36/37/927623637.db2.gz FCUUQONNZWOFJQ-UHFFFAOYSA-N -1 1 418.927 4.391 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)ccc1F ZINC000519231349 927838841 /nfs/dbraw/zinc/83/88/41/927838841.db2.gz XCXGDGKIXGHPBJ-INIZCTEOSA-N -1 1 404.507 4.258 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1N1CCCCC1 ZINC000519510829 928002829 /nfs/dbraw/zinc/00/28/29/928002829.db2.gz NUHFPLHXFSFHLW-UHFFFAOYSA-N -1 1 417.513 4.114 20 0 HIADMM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1c(Cl)cccc1Cl ZINC000520028378 928250513 /nfs/dbraw/zinc/25/05/13/928250513.db2.gz SNQQXMLMSSEIPL-JKSUJKDBSA-N -1 1 404.290 4.331 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000520038017 928260446 /nfs/dbraw/zinc/26/04/46/928260446.db2.gz VZYKNTBSLVVKHR-UHFFFAOYSA-N -1 1 421.828 4.301 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)c3ccccn3)ccc2C)c1 ZINC000520088181 928302516 /nfs/dbraw/zinc/30/25/16/928302516.db2.gz CJLOHQVIVNXPTG-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM C[C@@H](Cc1ccsc1)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000520424116 928559021 /nfs/dbraw/zinc/55/90/21/928559021.db2.gz DMEFCCVTRHELHR-LBPRGKRZSA-N -1 1 416.449 4.345 20 0 HIADMM Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000520525391 928619352 /nfs/dbraw/zinc/61/93/52/928619352.db2.gz XRKUHUWCFAVKJI-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCC2(C)CCCC2)cc1 ZINC000520884513 928858797 /nfs/dbraw/zinc/85/87/97/928858797.db2.gz BABWRFTZEPPSNA-UHFFFAOYSA-N -1 1 404.507 4.245 20 0 HIADMM CCCN(C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H](CC)c1ccccc1 ZINC000521146131 929025065 /nfs/dbraw/zinc/02/50/65/929025065.db2.gz KGSSGWPZOGOISS-OAQYLSRUSA-N -1 1 404.514 4.073 20 0 HIADMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cnc2c(cnn2C(C)C)c1 ZINC000521201385 929058896 /nfs/dbraw/zinc/05/88/96/929058896.db2.gz JPLKPPSQWPAVPM-UHFFFAOYSA-N -1 1 423.336 4.192 20 0 HIADMM O=S(=O)([N-]c1ccc(Cc2nc(Cc3ccccc3)no2)cc1)c1ccc(F)cc1 ZINC000521355590 929175291 /nfs/dbraw/zinc/17/52/91/929175291.db2.gz XKDGGTGGKSYUSK-UHFFFAOYSA-N -1 1 423.469 4.191 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2Cc3ccccc3C2)c1 ZINC000521583068 929311040 /nfs/dbraw/zinc/31/10/40/929311040.db2.gz YVBIFVIAAFNZNW-UHFFFAOYSA-N -1 1 410.470 4.091 20 0 HIADMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000521715785 929383887 /nfs/dbraw/zinc/38/38/87/929383887.db2.gz AQAKWGBYLHNBSG-UHFFFAOYSA-N -1 1 423.473 4.105 20 0 HIADMM C[C@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)c2)C1 ZINC000521728624 929392846 /nfs/dbraw/zinc/39/28/46/929392846.db2.gz JDOBHWJBWPXFCM-HNAYVOBHSA-N -1 1 414.527 4.077 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000521760413 929421193 /nfs/dbraw/zinc/42/11/93/929421193.db2.gz FNQSSPMQYOJDDF-UHFFFAOYSA-N -1 1 415.490 4.419 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)no2)cc1 ZINC000521889612 929537903 /nfs/dbraw/zinc/53/79/03/929537903.db2.gz CWAPKCYMNVCKCX-UHFFFAOYSA-N -1 1 405.479 4.437 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC[C@H]1C1CCC1 ZINC000524496949 929644784 /nfs/dbraw/zinc/64/47/84/929644784.db2.gz ARFVRBXMWPYRAP-FQEVSTJZSA-N -1 1 402.491 4.031 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC[C@@H]1C1CCC1 ZINC000524496950 929644845 /nfs/dbraw/zinc/64/48/45/929644845.db2.gz ARFVRBXMWPYRAP-HXUWFJFHSA-N -1 1 402.491 4.031 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(CC3CC3)CC3CC3)cc2)c1 ZINC000524540503 929672931 /nfs/dbraw/zinc/67/29/31/929672931.db2.gz LISGYBGJEASWFS-UHFFFAOYSA-N -1 1 412.555 4.366 20 0 HIADMM COc1ccc(-c2nsc([N-]C(=O)c3cc(F)cc4nc(C)c(C)nc43)n2)cc1 ZINC000524551247 929680392 /nfs/dbraw/zinc/68/03/92/929680392.db2.gz NDMRWURGNUPZIC-UHFFFAOYSA-N -1 1 409.446 4.165 20 0 HIADMM CC1(C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000524814290 929840535 /nfs/dbraw/zinc/84/05/35/929840535.db2.gz MAXJJVQUGQKOIQ-UHFFFAOYSA-N -1 1 412.433 4.131 20 0 HIADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525069386 930015914 /nfs/dbraw/zinc/01/59/14/930015914.db2.gz ZZIVDQGKAXFUSF-OXJNMPFZSA-N -1 1 402.516 4.021 20 0 HIADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000525104392 930038670 /nfs/dbraw/zinc/03/86/70/930038670.db2.gz ZMRYXPQZLSULGI-LSDHHAIUSA-N -1 1 422.497 4.416 20 0 HIADMM CCC(CC)c1nnc([N-]C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)s1 ZINC000525168296 930074208 /nfs/dbraw/zinc/07/42/08/930074208.db2.gz BAXGQWAMJNREIB-UHFFFAOYSA-N -1 1 400.460 4.120 20 0 HIADMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000525527371 930303237 /nfs/dbraw/zinc/30/32/37/930303237.db2.gz XDRIDYQBDGKBAN-UHFFFAOYSA-N -1 1 402.299 4.245 20 0 HIADMM CC(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1C ZINC000525587111 930348339 /nfs/dbraw/zinc/34/83/39/930348339.db2.gz ZPGPCSYHELZIQM-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)cc1 ZINC000525618550 930365252 /nfs/dbraw/zinc/36/52/52/930365252.db2.gz WONYUBHXWRAICZ-WMZOPIPTSA-N -1 1 400.544 4.447 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C[C@@H](C)S1 ZINC000525717920 930414488 /nfs/dbraw/zinc/41/44/88/930414488.db2.gz TZGLKZIRAKCBKM-ZIAGYGMSSA-N -1 1 424.975 4.107 20 0 HIADMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000527247093 930619654 /nfs/dbraw/zinc/61/96/54/930619654.db2.gz LXMFVBNVGCTKAP-UHFFFAOYSA-N -1 1 407.495 4.088 20 0 HIADMM O=S(=O)([N-]CC1(c2ccccc2Cl)CCOCC1)c1cc2ccccc2o1 ZINC000530771580 930819961 /nfs/dbraw/zinc/81/99/61/930819961.db2.gz ACBTULZRQQVIFW-UHFFFAOYSA-N -1 1 405.903 4.113 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc2[nH]ccc21 ZINC000530854367 930841621 /nfs/dbraw/zinc/84/16/21/930841621.db2.gz BUZFDYGFDSXQFW-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3ccc(F)cc3)CC2)cc1 ZINC000531224751 930973940 /nfs/dbraw/zinc/97/39/40/930973940.db2.gz LWKGEBPHMFRVRJ-UHFFFAOYSA-N -1 1 424.497 4.354 20 0 HIADMM COc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000531339651 931023059 /nfs/dbraw/zinc/02/30/59/931023059.db2.gz QDQRYYKMJBKPSQ-GOSISDBHSA-N -1 1 423.510 4.115 20 0 HIADMM O=C(Nc1cccc2ccncc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000531518439 931088734 /nfs/dbraw/zinc/08/87/34/931088734.db2.gz VNFSSFKJOAROST-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)c(F)c3)cc21 ZINC000531528125 931093652 /nfs/dbraw/zinc/09/36/52/931093652.db2.gz XGAMXCOAUQGYND-UHFFFAOYSA-N -1 1 418.490 4.178 20 0 HIADMM Cc1ccc(NC(=O)CC2CCSCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000531624265 931131684 /nfs/dbraw/zinc/13/16/84/931131684.db2.gz HSMQRGZOVSWCHN-UHFFFAOYSA-N -1 1 404.557 4.268 20 0 HIADMM Cc1cccc([C@H]2CCCN2C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000531732330 931176349 /nfs/dbraw/zinc/17/63/49/931176349.db2.gz VVXAWIICYSGRMI-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000531732331 931176570 /nfs/dbraw/zinc/17/65/70/931176570.db2.gz VVXAWIICYSGRMI-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000531732719 931177213 /nfs/dbraw/zinc/17/72/13/931177213.db2.gz MXDFXXDPNXVJOF-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM O=C(Nc1ccc(F)cc1O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000532012567 931284636 /nfs/dbraw/zinc/28/46/36/931284636.db2.gz ROMTXTYIOPQIAZ-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM O=C([O-])C[C@@H]1CCCN(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)C1 ZINC000532710742 931602144 /nfs/dbraw/zinc/60/21/44/931602144.db2.gz CDTZSSDXNUQMAM-HNNXBMFYSA-N -1 1 402.878 4.258 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)c2C)o1 ZINC000532768382 931626899 /nfs/dbraw/zinc/62/68/99/931626899.db2.gz JGGYYCCWJMCRHR-UHFFFAOYSA-N -1 1 410.293 4.158 20 0 HIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)c2C)o1 ZINC000533229060 931814920 /nfs/dbraw/zinc/81/49/20/931814920.db2.gz AXYZCSFJPPUZON-JTQLQIEISA-N -1 1 407.879 4.064 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000533695047 931974907 /nfs/dbraw/zinc/97/49/07/931974907.db2.gz RHRTUYWOPKKSKA-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(c1ccccn1)C2)c1cccc(C(F)(F)F)c1 ZINC000533788538 932034476 /nfs/dbraw/zinc/03/44/76/932034476.db2.gz PQCCYMOJUGGJSI-UHFFFAOYSA-N -1 1 419.428 4.421 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)cc(C)c1F ZINC000533898424 932088174 /nfs/dbraw/zinc/08/81/74/932088174.db2.gz XRAIKOCOOHMQIV-UHFFFAOYSA-N -1 1 403.504 4.220 20 0 HIADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1Cl ZINC000534204931 932329724 /nfs/dbraw/zinc/32/97/24/932329724.db2.gz GPGYUJYMCRXOFL-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM CN1CC[C@H](CNC(=O)CC2(C(=O)[O-])CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534241739 932359412 /nfs/dbraw/zinc/35/94/12/932359412.db2.gz KNKBCTHVYFAIJZ-DNVCBOLYSA-N -1 1 410.917 4.013 20 0 HIADMM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCC1)c1sccc1Br ZINC000534241785 932359699 /nfs/dbraw/zinc/35/96/99/932359699.db2.gz NOCPJWLBAIGVAO-UHFFFAOYSA-N -1 1 408.289 4.147 20 0 HIADMM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CCOCC1 ZINC000534391323 932414769 /nfs/dbraw/zinc/41/47/69/932414769.db2.gz WSISZZYYWFCHGV-CQSZACIVSA-N -1 1 422.934 4.142 20 0 HIADMM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc(F)cc(Cl)c3)n2)ccc1F ZINC000534409353 932430848 /nfs/dbraw/zinc/43/08/48/932430848.db2.gz CRCLWYAPVHUOFR-SNVBAGLBSA-N -1 1 413.833 4.016 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)cc1Br ZINC000534614661 932598837 /nfs/dbraw/zinc/59/88/37/932598837.db2.gz LTBRJBGGWIYDRC-UHFFFAOYSA-N -1 1 412.305 4.160 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)s1 ZINC000534673549 932642817 /nfs/dbraw/zinc/64/28/17/932642817.db2.gz WHITXPSKNXGJEO-UHFFFAOYSA-N -1 1 422.276 4.434 20 0 HIADMM CCc1onc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000534780620 932762128 /nfs/dbraw/zinc/76/21/28/932762128.db2.gz LPRBRMCSJGSHLE-UHFFFAOYSA-N -1 1 417.462 4.046 20 0 HIADMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2ccc(OC)cc2)s1 ZINC000534971278 932869204 /nfs/dbraw/zinc/86/92/04/932869204.db2.gz BRQTXVDEOHNPTR-UHFFFAOYSA-N -1 1 421.482 4.050 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCSCC(C)C)cc1 ZINC000535192024 933005170 /nfs/dbraw/zinc/00/51/70/933005170.db2.gz SGKNEBDEVNIIQB-UHFFFAOYSA-N -1 1 420.600 4.305 20 0 HIADMM CC(C)CSCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000535196857 933008288 /nfs/dbraw/zinc/00/82/88/933008288.db2.gz PNKYXUKNKFQRBM-UHFFFAOYSA-N -1 1 424.563 4.136 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](c3cccnc3)C3CC3)c2)c1 ZINC000535453541 933145469 /nfs/dbraw/zinc/14/54/69/933145469.db2.gz QLUUUAPPLFGKPJ-QFIPXVFZSA-N -1 1 421.522 4.072 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC(F)F)CC3CCC3)cc2)cc1 ZINC000535657661 933302232 /nfs/dbraw/zinc/30/22/32/933302232.db2.gz FXGONXQDCAUOOQ-UHFFFAOYSA-N -1 1 422.497 4.303 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)cc1CC ZINC000535990369 933551815 /nfs/dbraw/zinc/55/18/15/933551815.db2.gz XXIIBCRIKFBZRK-UHFFFAOYSA-N -1 1 400.544 4.157 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000536094320 933643989 /nfs/dbraw/zinc/64/39/89/933643989.db2.gz IHNKSEGRUIEQJE-UHFFFAOYSA-N -1 1 421.331 4.092 20 0 HIADMM CCCc1cnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)s1 ZINC000537375287 933743796 /nfs/dbraw/zinc/74/37/96/933743796.db2.gz XFADCBDSFKMMMF-UHFFFAOYSA-N -1 1 419.503 4.288 20 0 HIADMM O=c1[nH]cnc2ccc(S(=O)(=O)[N-]c3ccccc3Nc3ccc(F)cc3)cc21 ZINC000537395791 933756125 /nfs/dbraw/zinc/75/61/25/933756125.db2.gz DJICVYYYOAAALG-UHFFFAOYSA-N -1 1 410.430 4.019 20 0 HIADMM CCC[C@H](CC)S(=O)(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000562451026 945079033 /nfs/dbraw/zinc/07/90/33/945079033.db2.gz XJRPUXWANBLVQC-SFHVURJKSA-N -1 1 424.588 4.425 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3C[C@H](C)O[C@@H](C)C3)ccc2C)c1 ZINC000537649868 938346768 /nfs/dbraw/zinc/34/67/68/938346768.db2.gz KGLIINKOCQBKRF-IRXDYDNUSA-N -1 1 416.543 4.246 20 0 HIADMM Cc1n[nH]c2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)ccc12 ZINC000537703206 938359489 /nfs/dbraw/zinc/35/94/89/938359489.db2.gz CBOIKRIKXYJEOZ-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(SC)c2C)ccc1Br ZINC000538090652 938499920 /nfs/dbraw/zinc/49/99/20/938499920.db2.gz DVFBLIKVNUABSE-UHFFFAOYSA-N -1 1 402.335 4.289 20 0 HIADMM CC[C@@H](C)n1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000538311590 938589989 /nfs/dbraw/zinc/58/99/89/938589989.db2.gz CUUYNDJWJYTWFH-OAHLLOKOSA-N -1 1 412.515 4.216 20 0 HIADMM Cc1cc(C)n(-c2ccc(CC(=O)Nc3cc(C)cc(Br)c3[O-])cc2)n1 ZINC000538699455 938686619 /nfs/dbraw/zinc/68/66/19/938686619.db2.gz VUQZYVAXCGXENM-UHFFFAOYSA-N -1 1 414.303 4.447 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1Br ZINC000539194334 938817670 /nfs/dbraw/zinc/81/76/70/938817670.db2.gz PTVYIRCPKVOAFH-UHFFFAOYSA-N -1 1 402.335 4.289 20 0 HIADMM O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539326081 938841956 /nfs/dbraw/zinc/84/19/56/938841956.db2.gz NFUQYWOLCZBJID-ZDUSSCGKSA-N -1 1 419.382 4.044 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(OC(C)C)c(Cl)c3)cc2)CC1 ZINC000539550733 938878891 /nfs/dbraw/zinc/87/88/91/938878891.db2.gz YFIYXJRWDASNSD-UHFFFAOYSA-N -1 1 423.918 4.133 20 0 HIADMM CCc1c([N-]S(=O)(=O)c2cc(C)oc2C)n[nH]c1-c1ccc(Br)cc1 ZINC000539553920 938879219 /nfs/dbraw/zinc/87/92/19/938879219.db2.gz FOCTWMAKGUXAGQ-UHFFFAOYSA-N -1 1 424.320 4.412 20 0 HIADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2)cc1 ZINC000539598215 938885945 /nfs/dbraw/zinc/88/59/45/938885945.db2.gz CZZIAMQFCJNWIT-UHFFFAOYSA-N -1 1 414.458 4.086 20 0 HIADMM COC(=O)CCc1nnc([N-]C(=O)c2csc(-c3cccc4ccccc43)n2)s1 ZINC000539770702 938931922 /nfs/dbraw/zinc/93/19/22/938931922.db2.gz ONIRYTVZLPNIMD-UHFFFAOYSA-N -1 1 424.507 4.173 20 0 HIADMM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000539951977 938980797 /nfs/dbraw/zinc/98/07/97/938980797.db2.gz AFAQWDTXMKPUGJ-UHFFFAOYSA-N -1 1 402.781 4.413 20 0 HIADMM O=c1cc(C(F)(F)F)nc(CNc2cc(C(F)(F)F)ccc2N2CCCC2)[n-]1 ZINC000539957745 938981261 /nfs/dbraw/zinc/98/12/61/938981261.db2.gz BATUVMCNRBKMJJ-UHFFFAOYSA-N -1 1 406.330 4.432 20 0 HIADMM O=C(C[C@H]1C=CCC1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000539970680 938982490 /nfs/dbraw/zinc/98/24/90/938982490.db2.gz JJNCGZDDXCUCNS-ZDUSSCGKSA-N -1 1 406.891 4.141 20 0 HIADMM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000540116931 939078788 /nfs/dbraw/zinc/07/87/88/939078788.db2.gz KRKIEDPLRHZCBH-BBRMVZONSA-N -1 1 408.470 4.169 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCO[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000540706545 939344618 /nfs/dbraw/zinc/34/46/18/939344618.db2.gz VHBRDVHGMBWXII-LSDHHAIUSA-N -1 1 422.934 4.203 20 0 HIADMM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCO1 ZINC000540739376 939354425 /nfs/dbraw/zinc/35/44/25/939354425.db2.gz VKSCIGRBKTZULU-NXEZZACHSA-N -1 1 416.790 4.036 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540795683 939375425 /nfs/dbraw/zinc/37/54/25/939375425.db2.gz ZJJNGJPOBNMNFY-KGLIPLIRSA-N -1 1 411.449 4.297 20 0 HIADMM O=S(=O)([N-]c1cc(F)ccc1Br)c1c(F)c(F)ccc1Cl ZINC000563674649 945248948 /nfs/dbraw/zinc/24/89/48/945248948.db2.gz ZLWXJJUECQFDQW-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)c1 ZINC000540898213 939413820 /nfs/dbraw/zinc/41/38/20/939413820.db2.gz CBTBPFJKTUMCOE-UHFFFAOYSA-N -1 1 417.234 4.005 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-c4cccc(F)c4)c(F)c3)cc2[nH]1 ZINC000541286438 939489414 /nfs/dbraw/zinc/48/94/14/939489414.db2.gz JSNMXJJTYADQSD-UHFFFAOYSA-N -1 1 401.394 4.015 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H]3CCCCS3)cc2)c1C ZINC000541471151 939529273 /nfs/dbraw/zinc/52/92/73/939529273.db2.gz MGUWHQWZSGCTHT-GOSISDBHSA-N -1 1 418.584 4.120 20 0 HIADMM Cc1c(NC(=O)c2ccc(I)c([O-])c2)cccc1-c1ncco1 ZINC000563698431 945256352 /nfs/dbraw/zinc/25/63/52/945256352.db2.gz RSIBHAVYKMUEPY-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM Cc1noc(C2CC2)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000541583071 939560304 /nfs/dbraw/zinc/56/03/04/939560304.db2.gz QMVWIHPYKWYEML-UHFFFAOYSA-N -1 1 415.446 4.053 20 0 HIADMM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2Cl)cn1 ZINC000541826496 939643709 /nfs/dbraw/zinc/64/37/09/939643709.db2.gz UTNPCIHYEPGURI-UHFFFAOYSA-N -1 1 413.124 4.334 20 0 HIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2C1 ZINC000541935175 939657431 /nfs/dbraw/zinc/65/74/31/939657431.db2.gz LMPHQEARGSHCEQ-UHFFFAOYSA-N -1 1 400.422 4.112 20 0 HIADMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000542236175 939769350 /nfs/dbraw/zinc/76/93/50/939769350.db2.gz CMHYZZKWEFOTPC-ZDUSSCGKSA-N -1 1 411.483 4.047 20 0 HIADMM Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)nn1[C@H](C)C1CC1 ZINC000542389115 939812467 /nfs/dbraw/zinc/81/24/67/939812467.db2.gz GIAAIBXDGUGKDF-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3CCCCS3)cc2)c1 ZINC000542401320 939815183 /nfs/dbraw/zinc/81/51/83/939815183.db2.gz GBEVOSKHIASNJS-LJQANCHMSA-N -1 1 418.584 4.120 20 0 HIADMM CCc1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)co1 ZINC000542487092 939831919 /nfs/dbraw/zinc/83/19/19/939831919.db2.gz QPKONMRBHCHCFM-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000543003337 939893991 /nfs/dbraw/zinc/89/39/91/939893991.db2.gz OUGFUCBYIWCNQY-UHFFFAOYSA-N -1 1 416.428 4.259 20 0 HIADMM CCN(CC(F)F)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000543612504 940130412 /nfs/dbraw/zinc/13/04/12/940130412.db2.gz ZFZNUUPWFNPFKI-UHFFFAOYSA-N -1 1 416.877 4.176 20 0 HIADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)C2)C1 ZINC000543832356 940202578 /nfs/dbraw/zinc/20/25/78/940202578.db2.gz JNMFNNCWCSNVAY-OPAMFIHVSA-N -1 1 416.518 4.279 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC3CCOCC3)c2)c(C)c1F ZINC000543949009 940261595 /nfs/dbraw/zinc/26/15/95/940261595.db2.gz QBWJKZRZJWDWFV-UHFFFAOYSA-N -1 1 423.506 4.057 20 0 HIADMM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000544099420 940326656 /nfs/dbraw/zinc/32/66/56/940326656.db2.gz XVEOJBCIBXJXPH-UHFFFAOYSA-N -1 1 416.352 4.163 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccc3c(c2)COC3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000544510016 940462107 /nfs/dbraw/zinc/46/21/07/940462107.db2.gz MSQLMIFBTWWFBT-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(C3Cc4ccccc4C3)no2)cc1 ZINC000544532411 940473464 /nfs/dbraw/zinc/47/34/64/940473464.db2.gz GVXFAYFTARYJMJ-UHFFFAOYSA-N -1 1 417.490 4.420 20 0 HIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)ccc21 ZINC000544626746 940493703 /nfs/dbraw/zinc/49/37/03/940493703.db2.gz QPZUHHALERWOGF-UHFFFAOYSA-N -1 1 423.538 4.078 20 0 HIADMM COCCCCc1noc(-c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000544691697 940502994 /nfs/dbraw/zinc/50/29/94/940502994.db2.gz WWFTYIDOCOUORJ-UHFFFAOYSA-N -1 1 421.906 4.160 20 0 HIADMM O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(I)c([O-])c1 ZINC000544832557 940518317 /nfs/dbraw/zinc/51/83/17/940518317.db2.gz VLIWEFSWHCDMEK-UHFFFAOYSA-N -1 1 422.247 4.373 20 0 HIADMM CC(C)C[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000544887037 940521793 /nfs/dbraw/zinc/52/17/93/940521793.db2.gz NYILFFQWACTLAB-KRWDZBQOSA-N -1 1 401.532 4.387 20 0 HIADMM CC(C)(C)C[C@@H](NC(=O)c1ccc(I)c([O-])c1)C(F)(F)F ZINC000544888959 940521988 /nfs/dbraw/zinc/52/19/88/940521988.db2.gz ZPFWTGIMSMXTFT-LLVKDONJSA-N -1 1 415.193 4.094 20 0 HIADMM CS[C@@H]1CCCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000544892465 940522400 /nfs/dbraw/zinc/52/24/00/940522400.db2.gz LMGKLMXKNWJTMQ-GOSISDBHSA-N -1 1 419.572 4.237 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc([C@@H]3Cc4ccccc43)no2)cc1 ZINC000544985942 940530898 /nfs/dbraw/zinc/53/08/98/940530898.db2.gz UTEMOZUVPZRKRV-HXUWFJFHSA-N -1 1 403.463 4.225 20 0 HIADMM CCS[C@@H](C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000545069996 940538974 /nfs/dbraw/zinc/53/89/74/940538974.db2.gz GYXWPXTZYNKVFH-LBPRGKRZSA-N -1 1 407.492 4.491 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc([C@@H](C)c4ccncc4)no3)c2)c1 ZINC000545096833 940542065 /nfs/dbraw/zinc/54/20/65/940542065.db2.gz DZLSZZBTDVNMFK-INIZCTEOSA-N -1 1 420.494 4.393 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc([C@H](C)c4ccncc4)no3)c2)c1 ZINC000545096839 940542074 /nfs/dbraw/zinc/54/20/74/940542074.db2.gz DZLSZZBTDVNMFK-MRXNPFEDSA-N -1 1 420.494 4.393 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)cc(Cl)c1[O-] ZINC000545150175 940551475 /nfs/dbraw/zinc/55/14/75/940551475.db2.gz LRKHWDUBVANUAR-SNVBAGLBSA-N -1 1 405.813 4.124 20 0 HIADMM CCOc1cc(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)cc(Cl)c1[O-] ZINC000545170220 940554076 /nfs/dbraw/zinc/55/40/76/940554076.db2.gz UACHMWJMIKUZGL-CQSZACIVSA-N -1 1 406.885 4.102 20 0 HIADMM COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc(Cl)c1[O-] ZINC000545175704 940554491 /nfs/dbraw/zinc/55/44/91/940554491.db2.gz RQTBJWKJTASTSB-UHFFFAOYSA-N -1 1 418.858 4.201 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000545509269 940572436 /nfs/dbraw/zinc/57/24/36/940572436.db2.gz IWDQEXLMPAHKIC-DZZUKKPASA-N -1 1 419.262 4.315 20 0 HIADMM C[C@H]1Cc2ccccc2CN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545510559 940572473 /nfs/dbraw/zinc/57/24/73/940572473.db2.gz NWKKGXPNUPVUOF-KRWDZBQOSA-N -1 1 421.522 4.466 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000545514848 940572690 /nfs/dbraw/zinc/57/26/90/940572690.db2.gz PCTARKAAYXXVLA-XMSQKQJNSA-N -1 1 421.522 4.240 20 0 HIADMM CCOc1cc(C(=O)NCCc2ccc(OC)c(OC(F)F)c2)cc(Cl)c1[O-] ZINC000545877016 940648231 /nfs/dbraw/zinc/64/82/31/940648231.db2.gz WLEXSLJEPDLFOG-UHFFFAOYSA-N -1 1 415.820 4.027 20 0 HIADMM Cc1ccccc1CN(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546217369 940732211 /nfs/dbraw/zinc/73/22/11/940732211.db2.gz LXZOMEJFRNBEKH-UHFFFAOYSA-N -1 1 409.511 4.460 20 0 HIADMM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000564005748 945345840 /nfs/dbraw/zinc/34/58/40/945345840.db2.gz HGTGGEXKTJOLJI-UHFFFAOYSA-N -1 1 408.257 4.177 20 0 HIADMM Cc1cncc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)c3)n2)c1 ZINC000546317646 940781413 /nfs/dbraw/zinc/78/14/13/940781413.db2.gz ATMVHAHYPXQIAK-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CCc1cccnc1-c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000546418884 940815491 /nfs/dbraw/zinc/81/54/91/940815491.db2.gz VXLFQOMMBBROEG-UHFFFAOYSA-N -1 1 420.494 4.470 20 0 HIADMM CCc1cccnc1-c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000546423353 940816417 /nfs/dbraw/zinc/81/64/17/940816417.db2.gz UGJWOYRSJILLFJ-UHFFFAOYSA-N -1 1 406.467 4.162 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC3(F)CCC3)c2)c1 ZINC000564021139 945352002 /nfs/dbraw/zinc/35/20/02/945352002.db2.gz DUKHDECDMGMPAZ-UHFFFAOYSA-N -1 1 404.507 4.116 20 0 HIADMM CCOc1cc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000546584010 940857887 /nfs/dbraw/zinc/85/78/87/940857887.db2.gz ATCFISROOSZZGW-UHFFFAOYSA-N -1 1 403.784 4.315 20 0 HIADMM CCOc1cc(C(=O)N(C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc(Cl)c1[O-] ZINC000546584409 940858056 /nfs/dbraw/zinc/85/80/56/940858056.db2.gz SSJBHAHAZJNJJU-LJQANCHMSA-N -1 1 417.868 4.179 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc(Cl)c1[O-] ZINC000546584943 940858255 /nfs/dbraw/zinc/85/82/55/940858255.db2.gz ZUCMEVHANMKXEK-LBPRGKRZSA-N -1 1 402.878 4.284 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3cnccc3C)c2)c1 ZINC000546656962 940866003 /nfs/dbraw/zinc/86/60/03/940866003.db2.gz UABVUSBFGIETPM-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCCC3=O)cc2)cc1 ZINC000546886516 940901361 /nfs/dbraw/zinc/90/13/61/940901361.db2.gz XKHNOAZTFYEYHS-INIZCTEOSA-N -1 1 414.527 4.040 20 0 HIADMM Cc1cccn(Cc2c(F)cccc2[N-]S(=O)(=O)c2ccccc2C(C)C)c1=O ZINC000564053505 945365219 /nfs/dbraw/zinc/36/52/19/945365219.db2.gz CQODSZUSYRKXHV-UHFFFAOYSA-N -1 1 414.502 4.268 20 0 HIADMM CCc1cnccc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)n1 ZINC000547147850 941011324 /nfs/dbraw/zinc/01/13/24/941011324.db2.gz BXKRJWHCVHOHCC-UHFFFAOYSA-N -1 1 420.494 4.470 20 0 HIADMM CC[C@H](C)Oc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000547164109 941017509 /nfs/dbraw/zinc/01/75/09/941017509.db2.gz VEFZMENDXKQSFN-STQMWFEESA-N -1 1 407.517 4.015 20 0 HIADMM CCOc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000547259535 941046033 /nfs/dbraw/zinc/04/60/33/941046033.db2.gz OZQWZTAXYWYCHV-YJBOKZPZSA-N -1 1 414.260 4.497 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc(Cl)c1[O-] ZINC000547258418 941046160 /nfs/dbraw/zinc/04/61/60/941046160.db2.gz HQZDOISOYKVJNX-MRXNPFEDSA-N -1 1 412.877 4.207 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000547261459 941046427 /nfs/dbraw/zinc/04/64/27/941046427.db2.gz XSAQMNHXJMZEQP-GOSISDBHSA-N -1 1 420.296 4.351 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(OCCOC)c(Cl)c2)cc(Cl)c1[O-] ZINC000547287735 941052457 /nfs/dbraw/zinc/05/24/57/941052457.db2.gz NYQGQFOUUMFCMC-UHFFFAOYSA-N -1 1 400.258 4.375 20 0 HIADMM CCOc1cc(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1[O-] ZINC000547289985 941053320 /nfs/dbraw/zinc/05/33/20/941053320.db2.gz KWODLLOGMLANCH-HUUCEWRRSA-N -1 1 418.921 4.306 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc(Cl)c1[O-] ZINC000547290291 941053475 /nfs/dbraw/zinc/05/34/75/941053475.db2.gz UVEMGWFVDHXVBM-UHFFFAOYSA-N -1 1 416.905 4.252 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1cccc2cc[nH]c21 ZINC000547820521 941076979 /nfs/dbraw/zinc/07/69/79/941076979.db2.gz KGVNRTKMBVOFAR-UHFFFAOYSA-N -1 1 423.469 4.289 20 0 HIADMM O=C([O-])c1cc(F)cc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)c1F ZINC000548216513 941092216 /nfs/dbraw/zinc/09/22/16/941092216.db2.gz HBINFIONMKFZCY-UHFFFAOYSA-N -1 1 403.815 4.332 20 0 HIADMM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cc2nccnc2cc1F ZINC000548422259 941102033 /nfs/dbraw/zinc/10/20/33/941102033.db2.gz CAAIGVASEAFHBK-UHFFFAOYSA-N -1 1 415.450 4.304 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000548783587 941123878 /nfs/dbraw/zinc/12/38/78/941123878.db2.gz KXWYHUBFOCSMMH-UHFFFAOYSA-N -1 1 424.545 4.071 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000548942566 941131619 /nfs/dbraw/zinc/13/16/19/941131619.db2.gz APNGZDJPTSDTDM-SFHVURJKSA-N -1 1 404.800 4.086 20 0 HIADMM C[C@@H]1CC(CC[N-]S(=O)(=O)c2cc(Br)sc2Cl)C[C@@H](C)O1 ZINC000549254440 941174525 /nfs/dbraw/zinc/17/45/25/941174525.db2.gz CBYRMXNWIHMCSO-RKDXNWHRSA-N -1 1 416.790 4.036 20 0 HIADMM CCC(CC)CN(CC)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000549705363 941205197 /nfs/dbraw/zinc/20/51/97/941205197.db2.gz AVGJBKOWYIIWSS-UHFFFAOYSA-N -1 1 417.575 4.455 20 0 HIADMM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccn1)c1c(Cl)cc(F)cc1Cl ZINC000549912343 941237253 /nfs/dbraw/zinc/23/72/53/941237253.db2.gz LGJXQHYSWPMDBT-UHFFFAOYSA-N -1 1 417.211 4.067 20 0 HIADMM O=C(c1c(F)ccc([O-])c1F)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000550163069 941292106 /nfs/dbraw/zinc/29/21/06/941292106.db2.gz ZCAPSNXSTCXIPL-AWEZNQCLSA-N -1 1 406.187 4.330 20 0 HIADMM CCOc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1C ZINC000550586868 941342781 /nfs/dbraw/zinc/34/27/81/941342781.db2.gz CGBNYCVEEFSVPT-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC=C(c2ccccc2)C1 ZINC000551685175 941526577 /nfs/dbraw/zinc/52/65/77/941526577.db2.gz OCQGKLPZSOPOGL-UHFFFAOYSA-N -1 1 418.518 4.417 20 0 HIADMM C[C@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)n1ccc2ccccc2c1=O ZINC000552022669 941569751 /nfs/dbraw/zinc/56/97/51/941569751.db2.gz ADNOZAQCUDNFGN-SNVBAGLBSA-N -1 1 421.678 4.323 20 0 HIADMM C[C@@H]1CC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000552411393 941661925 /nfs/dbraw/zinc/66/19/25/941661925.db2.gz YRRWKTQJJIVEPF-DIFFPNOSSA-N -1 1 413.326 4.323 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)C(F)F)nc2)cc1Cl ZINC000552740716 941749519 /nfs/dbraw/zinc/74/95/19/941749519.db2.gz LCVIHRZIJYMMQS-UHFFFAOYSA-N -1 1 412.792 4.123 20 0 HIADMM O=C(NC[C@H]1CC=CCC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000552924544 941803901 /nfs/dbraw/zinc/80/39/01/941803901.db2.gz PSFLTAHAUVMGFO-HNNXBMFYSA-N -1 1 404.919 4.227 20 0 HIADMM COc1cc(NC(=O)c2coc3ccc(C(C)C)cc23)ccc1[N-]S(C)(=O)=O ZINC000553144295 941840363 /nfs/dbraw/zinc/84/03/63/941840363.db2.gz OOUMJWMISNTGJE-UHFFFAOYSA-N -1 1 402.472 4.189 20 0 HIADMM O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(Br)c([O-])c1 ZINC000553435538 941884680 /nfs/dbraw/zinc/88/46/80/941884680.db2.gz FYNJJZKRZAFOKU-CQSZACIVSA-N -1 1 419.102 4.315 20 0 HIADMM Cc1ccc([C@H]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c2ccccn2)cc1 ZINC000553530119 941903879 /nfs/dbraw/zinc/90/38/79/941903879.db2.gz AMVPDOKVYBOKFX-SFHVURJKSA-N -1 1 408.857 4.390 20 0 HIADMM O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1c(F)ccc([O-])c1F ZINC000554883081 942307039 /nfs/dbraw/zinc/30/70/39/942307039.db2.gz JLXSXYWTCSAROU-UHFFFAOYSA-N -1 1 415.267 4.372 20 0 HIADMM Cc1csc(CCCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000555549706 942638831 /nfs/dbraw/zinc/63/88/31/942638831.db2.gz NKGDFZAIVLFZLA-UHFFFAOYSA-N -1 1 415.540 4.214 20 0 HIADMM COc1ccc([C@H](NC(=O)c2cncc([O-])c2)c2ccccc2)cc1Br ZINC000555869016 942759998 /nfs/dbraw/zinc/75/99/98/942759998.db2.gz KBIDIWWBQXPEPK-LJQANCHMSA-N -1 1 413.271 4.078 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1OC ZINC000556303859 942836468 /nfs/dbraw/zinc/83/64/68/942836468.db2.gz MEJHOWABOYZWSS-UHFFFAOYSA-N -1 1 422.261 4.037 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c2ccccc2n1C ZINC000556351522 942848126 /nfs/dbraw/zinc/84/81/26/942848126.db2.gz AHCMQLFNEHHPLT-LJQANCHMSA-N -1 1 410.499 4.015 20 0 HIADMM Cc1ccc(C(C)(C)CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c(C)c1 ZINC000557716900 943267536 /nfs/dbraw/zinc/26/75/36/943267536.db2.gz ORCXPJZAUJHCSC-UHFFFAOYSA-N -1 1 418.541 4.196 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1Cl ZINC000557933087 943332516 /nfs/dbraw/zinc/33/25/16/943332516.db2.gz ULYYFPHETGZDBX-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM O=C(CCCC(=O)Nc1cc(Cl)c(O)cc1F)Nc1cc(Cl)c([O-])cc1F ZINC000557944658 943335908 /nfs/dbraw/zinc/33/59/08/943335908.db2.gz OGSMEVGGZQRDLA-UHFFFAOYSA-N -1 1 419.211 4.430 20 0 HIADMM O=C(N[C@H]1CCc2sc(Cl)cc21)c1ccc(I)c([O-])c1 ZINC000558578943 943607692 /nfs/dbraw/zinc/60/76/92/943607692.db2.gz LKQLHWQIKXYVGW-JTQLQIEISA-N -1 1 419.671 4.129 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)c1 ZINC000558590062 943610844 /nfs/dbraw/zinc/61/08/44/943610844.db2.gz IZEODNBWLYMTIX-UHFFFAOYSA-N -1 1 419.890 4.178 20 0 HIADMM O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000558733007 943634331 /nfs/dbraw/zinc/63/43/31/943634331.db2.gz ZARFONSVLBPRNX-CQSZACIVSA-N -1 1 409.873 4.085 20 0 HIADMM CC(C)c1csc(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000560038672 944136016 /nfs/dbraw/zinc/13/60/16/944136016.db2.gz ZPZPYOBGVMPTQR-UHFFFAOYSA-N -1 1 409.758 4.161 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC=C(c4ccco4)C3)c2)cc1 ZINC000560725439 944311913 /nfs/dbraw/zinc/31/19/13/944311913.db2.gz YSXWGKOZEUCPDY-UHFFFAOYSA-N -1 1 422.506 4.318 20 0 HIADMM COc1c(Br)cc(Cl)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000560725711 944311982 /nfs/dbraw/zinc/31/19/82/944311982.db2.gz HDFZGVPDKDIAMS-UHFFFAOYSA-N -1 1 412.593 4.238 20 0 HIADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000560953904 944374625 /nfs/dbraw/zinc/37/46/25/944374625.db2.gz BYBHRNUECHQDLB-INIZCTEOSA-N -1 1 422.497 4.433 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000561581188 944686162 /nfs/dbraw/zinc/68/61/62/944686162.db2.gz GGWUUCMPZIDQEY-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM COc1ccc2c(c1)c(C(=O)N1CCC[C@@H](c3n[n-]c(=O)o3)C1)c(C)n2C1CCCC1 ZINC000561937920 944865767 /nfs/dbraw/zinc/86/57/67/944865767.db2.gz HUPOYKWWUPPQHI-OAHLLOKOSA-N -1 1 424.501 4.182 20 0 HIADMM COCCCCS(=O)(=O)[N-]c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000562228371 945031926 /nfs/dbraw/zinc/03/19/26/945031926.db2.gz XXTWYBBINGQUQO-UHFFFAOYSA-N -1 1 405.303 4.349 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)Nc1cc(C2CC2)ccn1 ZINC000564445758 945592716 /nfs/dbraw/zinc/59/27/16/945592716.db2.gz GZQJXVYURNJQFF-UHFFFAOYSA-N -1 1 422.510 4.082 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](CC3CC3)C2)c1 ZINC000564679186 945725640 /nfs/dbraw/zinc/72/56/40/945725640.db2.gz KQAOEAQIXOIALE-IBGZPJMESA-N -1 1 412.555 4.366 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC000564753043 945748562 /nfs/dbraw/zinc/74/85/62/945748562.db2.gz BDXNVSPQTBPTKP-UHFFFAOYSA-N -1 1 400.237 4.319 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(-c4ccn(C)c4)no3)c2)c1 ZINC000565507359 945842046 /nfs/dbraw/zinc/84/20/46/945842046.db2.gz SBMJYTHBCMOLTC-UHFFFAOYSA-N -1 1 408.483 4.160 20 0 HIADMM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)cn1 ZINC000565670187 945863491 /nfs/dbraw/zinc/86/34/91/945863491.db2.gz HJWRJYVDEPYCQO-UHFFFAOYSA-N -1 1 413.421 4.181 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)cc1C(C)C ZINC000567157907 946260017 /nfs/dbraw/zinc/26/00/17/946260017.db2.gz REGROBYQOCXBDU-UHFFFAOYSA-N -1 1 402.520 4.253 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(F)(F)[C@H](C)C3)ccc2C)c1 ZINC000567289916 946297015 /nfs/dbraw/zinc/29/70/15/946297015.db2.gz XKQQBBSPAKQSQI-MRXNPFEDSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H]3c4ccccc4CC34CCOCC4)nc2)[n-]c(=O)c1C ZINC000567553178 946376091 /nfs/dbraw/zinc/37/60/91/946376091.db2.gz DUHQGLOJOPGICQ-OAQYLSRUSA-N -1 1 402.498 4.367 20 0 HIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1)[C@H](C)C(C)C ZINC000568330009 946511790 /nfs/dbraw/zinc/51/17/90/946511790.db2.gz QLMNREUMLXWCOZ-MRXNPFEDSA-N -1 1 406.523 4.442 20 0 HIADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1cc(Br)cc2cccnc21 ZINC000568437057 946545859 /nfs/dbraw/zinc/54/58/59/946545859.db2.gz NQPQYKMRCZZXDI-UHFFFAOYSA-N -1 1 421.320 4.179 20 0 HIADMM C[C@H]1C[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000568735765 946673848 /nfs/dbraw/zinc/67/38/48/946673848.db2.gz DWNJDMVJJYZLRT-STQMWFEESA-N -1 1 410.898 4.150 20 0 HIADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000568735764 946674585 /nfs/dbraw/zinc/67/45/85/946674585.db2.gz DWNJDMVJJYZLRT-QWHCGFSZSA-N -1 1 410.898 4.150 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2C)cc1C ZINC000568928035 946763703 /nfs/dbraw/zinc/76/37/03/946763703.db2.gz KZWBMNGDDQKZHW-UHFFFAOYSA-N -1 1 413.499 4.430 20 0 HIADMM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)c(C)c1 ZINC000571027683 947443701 /nfs/dbraw/zinc/44/37/01/947443701.db2.gz DUOSSBRBLAMNJZ-UHFFFAOYSA-N -1 1 411.889 4.230 20 0 HIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)NCC1(c2ccccc2)CCCCC1 ZINC000572565140 947949727 /nfs/dbraw/zinc/94/97/27/947949727.db2.gz HSURGZLJQJIGDF-UHFFFAOYSA-N -1 1 407.486 4.230 20 0 HIADMM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000572788829 948011112 /nfs/dbraw/zinc/01/11/12/948011112.db2.gz MEKCCDQFZSSLAG-NSHDSACASA-N -1 1 423.338 4.130 20 0 HIADMM CC(F)(F)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000573234615 948115184 /nfs/dbraw/zinc/11/51/84/948115184.db2.gz UMUUAVXTJNTFEC-UHFFFAOYSA-N -1 1 423.268 4.179 20 0 HIADMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000574550044 948468557 /nfs/dbraw/zinc/46/85/57/948468557.db2.gz LMQXNTBXTNUNOC-AWEZNQCLSA-N -1 1 408.470 4.440 20 0 HIADMM O=C([O-])[C@H](NCc1cccc(OCC(F)(F)F)c1)c1ccccc1Br ZINC000574952931 948563476 /nfs/dbraw/zinc/56/34/76/948563476.db2.gz ISZXUZLTUMTORE-OAHLLOKOSA-N -1 1 418.209 4.306 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(Oc3nc(C)cs3)c(F)c2)ccc1F ZINC000576011954 948809677 /nfs/dbraw/zinc/80/96/77/948809677.db2.gz HQXNRKMAJNVPSH-UHFFFAOYSA-N -1 1 412.439 4.331 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1Br ZINC000436015075 861306083 /nfs/dbraw/zinc/30/60/83/861306083.db2.gz UEEDBLXNVPTOBO-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000436161116 861461282 /nfs/dbraw/zinc/46/12/82/861461282.db2.gz NQBGISQPUWUUAT-CYBMUJFWSA-N -1 1 412.433 4.131 20 0 HIADMM CC(C)(C)c1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000005184758 845087450 /nfs/dbraw/zinc/08/74/50/845087450.db2.gz BJZYTEWZXTYYID-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)[N-]C(=O)c1ccccc1 ZINC000005694432 845136185 /nfs/dbraw/zinc/13/61/85/845136185.db2.gz KQQHAHNNWADFBM-UHFFFAOYSA-N -1 1 410.429 4.015 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCCCCC3)cc2)cc1 ZINC000007230254 845290101 /nfs/dbraw/zinc/29/01/01/845290101.db2.gz OXWXZMGIIXMIEU-UHFFFAOYSA-N -1 1 416.543 4.339 20 0 HIADMM CCc1cc2c(COC(=O)c3cccnc3SC(F)F)cc(=O)oc2cc1[O-] ZINC000007284494 845302172 /nfs/dbraw/zinc/30/21/72/845302172.db2.gz VOIFGAKBGMMXME-UHFFFAOYSA-N -1 1 407.394 4.128 20 0 HIADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)ccc21 ZINC000007323146 845311161 /nfs/dbraw/zinc/31/11/61/845311161.db2.gz XMZAJHDOMAXGPC-UHFFFAOYSA-N -1 1 412.483 4.101 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CCCCCC3)c2)cc1F ZINC000008033386 845464440 /nfs/dbraw/zinc/46/44/40/845464440.db2.gz VFHNZXWDUVQAMU-UHFFFAOYSA-N -1 1 404.507 4.388 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)c(O)c1 ZINC000008033666 845465683 /nfs/dbraw/zinc/46/56/83/845465683.db2.gz YUAXVUOGQSQLBN-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM O=C(COc1ccccc1Cc1ccccc1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000008194803 845489395 /nfs/dbraw/zinc/48/93/95/845489395.db2.gz JPSMTUDPBVKLQA-UHFFFAOYSA-N -1 1 416.429 4.212 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3F)c2)cc1 ZINC000008289305 845508273 /nfs/dbraw/zinc/50/82/73/845508273.db2.gz GGUGOSOWCBKUIY-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)o1 ZINC000436275861 861583865 /nfs/dbraw/zinc/58/38/65/861583865.db2.gz QVJYLHKDRXOVJR-SFHVURJKSA-N -1 1 424.522 4.149 20 0 HIADMM CCc1cc2c(COC(=O)CCC(=O)c3cc(C)sc3C)cc(=O)oc2cc1[O-] ZINC000009842112 845595499 /nfs/dbraw/zinc/59/54/99/845595499.db2.gz HEUHXYFKTKBMCH-UHFFFAOYSA-N -1 1 414.479 4.446 20 0 HIADMM Cc1ccccc1OCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009903599 845602169 /nfs/dbraw/zinc/60/21/69/845602169.db2.gz AKZKAANGWQQDAH-UHFFFAOYSA-N -1 1 410.495 4.203 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000010430126 845660670 /nfs/dbraw/zinc/66/06/70/845660670.db2.gz KZTRGLMWUSXABL-UHFFFAOYSA-N -1 1 423.542 4.245 20 0 HIADMM CC(C)c1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000010556725 845674557 /nfs/dbraw/zinc/67/45/57/845674557.db2.gz NETGAFDOAXHJQL-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000010976346 845735224 /nfs/dbraw/zinc/73/52/24/845735224.db2.gz MOQJOSOUTAPSRI-UHFFFAOYSA-N -1 1 418.537 4.046 20 0 HIADMM CCOc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000010978601 845736114 /nfs/dbraw/zinc/73/61/14/845736114.db2.gz HPFLIDKDUVISRR-KRWDZBQOSA-N -1 1 424.522 4.377 20 0 HIADMM CC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015273706 846027021 /nfs/dbraw/zinc/02/70/21/846027021.db2.gz LCIMBRVMPIHQHZ-LLVKDONJSA-N -1 1 401.315 4.323 20 0 HIADMM CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015343931 846036911 /nfs/dbraw/zinc/03/69/11/846036911.db2.gz QGAGTMCSISBROO-UHFFFAOYSA-N -1 1 414.914 4.413 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000015434194 846048330 /nfs/dbraw/zinc/04/83/30/846048330.db2.gz BVROMMRCQWEDPP-GJZGRUSLSA-N -1 1 404.507 4.053 20 0 HIADMM O=C(Nc1cccnc1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015435610 846048514 /nfs/dbraw/zinc/04/85/14/846048514.db2.gz KNBIKUBHBJNKNE-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM O=C(COc1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015437024 846049172 /nfs/dbraw/zinc/04/91/72/846049172.db2.gz LIAGMMSFMRLPAL-UHFFFAOYSA-N -1 1 416.886 4.158 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000015439623 846049221 /nfs/dbraw/zinc/04/92/21/846049221.db2.gz VNGRHXZSRINDGJ-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccncc1 ZINC000015437824 846049287 /nfs/dbraw/zinc/04/92/87/846049287.db2.gz KBUPFXBHIHTWKY-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)cc3F)c2)cc1F ZINC000015564038 846062815 /nfs/dbraw/zinc/06/28/15/846062815.db2.gz QFVXBAMZUKWUEQ-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000015564151 846062901 /nfs/dbraw/zinc/06/29/01/846062901.db2.gz NCSCIIDJTLAHJU-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1ccc(F)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000015592093 846069641 /nfs/dbraw/zinc/06/96/41/846069641.db2.gz BMHSEQIWJRQMJD-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)cc1 ZINC000015745162 846090060 /nfs/dbraw/zinc/09/00/60/846090060.db2.gz HMFQZLKLLGAZNT-QGZVFWFLSA-N -1 1 424.522 4.030 20 0 HIADMM O=C(NCCc1cccs1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000015788440 846090918 /nfs/dbraw/zinc/09/09/18/846090918.db2.gz WLZHHFQXBNAVJY-UHFFFAOYSA-N -1 1 420.943 4.175 20 0 HIADMM O=C(Nc1cccc2ncccc21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015979980 846107306 /nfs/dbraw/zinc/10/73/06/846107306.db2.gz DOEBULWKEBSXIV-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1OCC ZINC000016096174 846123512 /nfs/dbraw/zinc/12/35/12/846123512.db2.gz UNGBAYJWRKZHQS-UHFFFAOYSA-N -1 1 400.294 4.047 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(F)cc(F)c3)c2)cc1 ZINC000016305192 846151170 /nfs/dbraw/zinc/15/11/70/846151170.db2.gz FMMJBYGXYAVAKV-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=S)Nc1cccc(Cl)c1 ZINC000016317205 846151951 /nfs/dbraw/zinc/15/19/51/846151951.db2.gz GNTRKLQHYNCTFG-UHFFFAOYSA-N -1 1 402.932 4.403 20 0 HIADMM O=C(CCC(=O)c1ccc2ccccc2c1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000016550456 846183383 /nfs/dbraw/zinc/18/33/83/846183383.db2.gz ZQAWTKIVTWTGFG-UHFFFAOYSA-N -1 1 402.402 4.358 20 0 HIADMM COc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)c1 ZINC000016600726 846189282 /nfs/dbraw/zinc/18/92/82/846189282.db2.gz YLFBWVOCVMEXTP-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM Cc1ccc(C)c(Sc2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2)c1 ZINC000016727773 846203052 /nfs/dbraw/zinc/20/30/52/846203052.db2.gz FQEOMGDVKVPJJB-UHFFFAOYSA-N -1 1 412.536 4.354 20 0 HIADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)c1C ZINC000017123099 846231854 /nfs/dbraw/zinc/23/18/54/846231854.db2.gz DNGLBUROESFUHH-UHFFFAOYSA-N -1 1 400.544 4.294 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000017357092 846249258 /nfs/dbraw/zinc/24/92/58/846249258.db2.gz OFISXXZTBWMKMU-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3ccccc3)c2)c1 ZINC000017357505 846249861 /nfs/dbraw/zinc/24/98/61/846249861.db2.gz BJWPTAPAVMLNEE-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM CN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000018009799 846283695 /nfs/dbraw/zinc/28/36/95/846283695.db2.gz RTXKTAMCDIIFAS-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000018105875 846295949 /nfs/dbraw/zinc/29/59/49/846295949.db2.gz QNEOFBGHAGVJGB-UHFFFAOYSA-N -1 1 400.935 4.319 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CCc3ccco3)cc2)cc1 ZINC000019620561 846369876 /nfs/dbraw/zinc/36/98/76/846369876.db2.gz RTYRMBCFWLWSCT-KRWDZBQOSA-N -1 1 412.511 4.140 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)c(=O)[n-]1 ZINC000436351306 861672251 /nfs/dbraw/zinc/67/22/51/861672251.db2.gz YHZAMDJYSJPGMX-HNNXBMFYSA-N -1 1 413.465 4.263 20 0 HIADMM Cc1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)ccc1F ZINC000021068814 846402716 /nfs/dbraw/zinc/40/27/16/846402716.db2.gz FNCHWIYQRHDCLN-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000021216455 846418416 /nfs/dbraw/zinc/41/84/16/846418416.db2.gz QPNRXWBUURSAEM-UHFFFAOYSA-N -1 1 419.304 4.017 20 0 HIADMM COc1cc(OC)cc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1 ZINC000021947007 846513894 /nfs/dbraw/zinc/51/38/94/846513894.db2.gz AOFIBWVQXJIGQI-UHFFFAOYSA-N -1 1 422.462 4.026 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccccc1Cl ZINC000022405417 846566295 /nfs/dbraw/zinc/56/62/95/846566295.db2.gz AGBHRHLZHOISRI-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM COc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000022876052 846631337 /nfs/dbraw/zinc/63/13/37/846631337.db2.gz QJACXBKLTYLPRF-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000022975421 846640744 /nfs/dbraw/zinc/64/07/44/846640744.db2.gz QXRQIFSVGCVJJR-UHFFFAOYSA-N -1 1 418.548 4.010 20 0 HIADMM O=C(CCc1ccc(F)cc1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000023060547 846654218 /nfs/dbraw/zinc/65/42/18/846654218.db2.gz HUFHZSTVEVFPSQ-UHFFFAOYSA-N -1 1 408.454 4.467 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C)C#N)c2)cc1Cl ZINC000023416184 846698622 /nfs/dbraw/zinc/69/86/22/846698622.db2.gz YNQAZSQQYWKNPM-NSHDSACASA-N -1 1 413.282 4.172 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1OCC ZINC000024430010 846822796 /nfs/dbraw/zinc/82/27/96/846822796.db2.gz ZJKXVLAWUGQPPD-UHFFFAOYSA-N -1 1 405.394 4.183 20 0 HIADMM Cc1ccc(-c2nnc3n2CCCCC3)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000024433828 846823072 /nfs/dbraw/zinc/82/30/72/846823072.db2.gz KCMQEIVTAOWMDJ-UHFFFAOYSA-N -1 1 418.469 4.059 20 0 HIADMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000024429235 846823426 /nfs/dbraw/zinc/82/34/26/846823426.db2.gz ZYBLGXAKDAWVJA-UHFFFAOYSA-N -1 1 400.422 4.035 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCOc4ccccc43)cc2)cc1C ZINC000025312272 846957371 /nfs/dbraw/zinc/95/73/71/846957371.db2.gz CFHULTMBSSSULG-UHFFFAOYSA-N -1 1 422.506 4.143 20 0 HIADMM O=C(Cc1ccsc1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000025599091 847004743 /nfs/dbraw/zinc/00/47/43/847004743.db2.gz GRQGFNNRRMQKRZ-UHFFFAOYSA-N -1 1 422.915 4.089 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000025741143 847028979 /nfs/dbraw/zinc/02/89/79/847028979.db2.gz GNQUSDUZSZCGHZ-UHFFFAOYSA-N -1 1 411.321 4.235 20 0 HIADMM CN(CCCOc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025901593 847054703 /nfs/dbraw/zinc/05/47/03/847054703.db2.gz KQEZYUJWHNCUDY-UHFFFAOYSA-N -1 1 424.522 4.029 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)CCc3ccccc3Cl)n2)n[n-]c1=S ZINC000026094540 847082297 /nfs/dbraw/zinc/08/22/97/847082297.db2.gz XACKVYQCPWHFPH-UHFFFAOYSA-N -1 1 419.963 4.399 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1OC ZINC000026535057 847164971 /nfs/dbraw/zinc/16/49/71/847164971.db2.gz SCJKODNUBBPCBG-UHFFFAOYSA-N -1 1 411.570 4.292 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000026548006 847167424 /nfs/dbraw/zinc/16/74/24/847167424.db2.gz HKBSCRUIPUJKCV-UHFFFAOYSA-N -1 1 414.483 4.045 20 0 HIADMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccccc1 ZINC000027690683 847339372 /nfs/dbraw/zinc/33/93/72/847339372.db2.gz VIFBDCKGKASITD-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000028199789 847395774 /nfs/dbraw/zinc/39/57/74/847395774.db2.gz SZMLXKXKQZJYDC-GASCZTMLSA-N -1 1 404.507 4.053 20 0 HIADMM O=C(NCCCCc1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000028832913 847466281 /nfs/dbraw/zinc/46/62/81/847466281.db2.gz CCDAMIIRTQBQGV-UHFFFAOYSA-N -1 1 408.523 4.240 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccccc2)c1 ZINC000028931127 847481080 /nfs/dbraw/zinc/48/10/80/847481080.db2.gz QVGURADHCBEGNM-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000029047276 847497674 /nfs/dbraw/zinc/49/76/74/847497674.db2.gz AHNPDIZCOFAFHG-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc4ccccc4cc3[O-])n2)o1 ZINC000029355756 847550756 /nfs/dbraw/zinc/55/07/56/847550756.db2.gz LLRLQFZTCJSVGE-UHFFFAOYSA-N -1 1 407.451 4.150 20 0 HIADMM COc1cc(C)c(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1OC ZINC000029365371 847552842 /nfs/dbraw/zinc/55/28/42/847552842.db2.gz SXVXEUDREFUSML-UHFFFAOYSA-N -1 1 404.517 4.024 20 0 HIADMM CCCCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000029431738 847563808 /nfs/dbraw/zinc/56/38/08/847563808.db2.gz AYGSZCDLEOANDH-CQSZACIVSA-N -1 1 410.486 4.464 20 0 HIADMM CCCCC[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000029431904 847564055 /nfs/dbraw/zinc/56/40/55/847564055.db2.gz KHRZDCAMVGEWOP-INIZCTEOSA-N -1 1 406.523 4.254 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1ccsc1 ZINC000029698115 847602161 /nfs/dbraw/zinc/60/21/61/847602161.db2.gz YNOIHEYQEGNUKE-UHFFFAOYSA-N -1 1 408.888 4.160 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000029816816 847624872 /nfs/dbraw/zinc/62/48/72/847624872.db2.gz ZYGNHIJDAVNKNM-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C)c(OC)c2C)cc1 ZINC000029914090 847649331 /nfs/dbraw/zinc/64/93/31/847649331.db2.gz ZXSVRPDIIXEPOF-UHFFFAOYSA-N -1 1 412.515 4.271 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@H]3C)ccc2C)c1 ZINC000030266595 847693936 /nfs/dbraw/zinc/69/39/36/847693936.db2.gz GINUYRRKZGZDCV-GOSISDBHSA-N -1 1 423.538 4.123 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCn4cccc4[C@@H]3C)cc2)cc1C ZINC000030265858 847694171 /nfs/dbraw/zinc/69/41/71/847694171.db2.gz XALXZBFEZAAZPR-SFHVURJKSA-N -1 1 423.538 4.123 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2cnc3ccc(F)cc3c2)c(SCCC(=O)[O-])c1 ZINC000436480291 861818854 /nfs/dbraw/zinc/81/88/54/861818854.db2.gz ZQXYGMRSVCVDTM-UHFFFAOYSA-N -1 1 420.487 4.050 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccncc2)cc1)c1cc(C(F)(F)F)ccc1O ZINC000436475209 861819115 /nfs/dbraw/zinc/81/91/15/861819115.db2.gz GIQCQNUMPAZJDE-UHFFFAOYSA-N -1 1 410.373 4.399 20 0 HIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1 ZINC000436481016 861820199 /nfs/dbraw/zinc/82/01/99/861820199.db2.gz ZDWYEULFYNJWAU-UHFFFAOYSA-N -1 1 412.490 4.254 20 0 HIADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000030381834 847708257 /nfs/dbraw/zinc/70/82/57/847708257.db2.gz RRFVORIRJJXEQI-YWZLYKJASA-N -1 1 404.507 4.277 20 0 HIADMM C[C@H](N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(C)(C)C ZINC000030424597 847715023 /nfs/dbraw/zinc/71/50/23/847715023.db2.gz LMNFPPTWNDXJLK-ZDUSSCGKSA-N -1 1 410.486 4.272 20 0 HIADMM C[C@@H](N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C(C)(C)C ZINC000030424525 847715065 /nfs/dbraw/zinc/71/50/65/847715065.db2.gz PFRJFRHCWNWDCA-CYBMUJFWSA-N -1 1 410.486 4.272 20 0 HIADMM Cc1ccc(NNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000030540757 847732850 /nfs/dbraw/zinc/73/28/50/847732850.db2.gz MMRUDGVCYGVIIM-UHFFFAOYSA-N -1 1 415.902 4.206 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)c1 ZINC000436502740 861827465 /nfs/dbraw/zinc/82/74/65/861827465.db2.gz DHNGCQWPYQXVBL-UHFFFAOYSA-N -1 1 402.497 4.280 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccccc2SCc2csc(C)n2)c1 ZINC000436503676 861827703 /nfs/dbraw/zinc/82/77/03/861827703.db2.gz ILRQATWOSICUCP-UHFFFAOYSA-N -1 1 414.508 4.488 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)c1 ZINC000436506819 861829093 /nfs/dbraw/zinc/82/90/93/861829093.db2.gz UROXPZVKTQHHCV-UHFFFAOYSA-N -1 1 421.478 4.199 20 0 HIADMM CC(C)CC[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000031001153 847807949 /nfs/dbraw/zinc/80/79/49/847807949.db2.gz ZZIWNDTYRMJVJB-MRXNPFEDSA-N -1 1 406.523 4.110 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000031039386 847813103 /nfs/dbraw/zinc/81/31/03/847813103.db2.gz SGXOWHHIYAQQCQ-FQEVSTJZSA-N -1 1 408.527 4.274 20 0 HIADMM COc1cccc(OC)c1OC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436522494 861833885 /nfs/dbraw/zinc/83/38/85/861833885.db2.gz VJAYWNQMLVQDMV-UHFFFAOYSA-N -1 1 407.466 4.246 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000436528434 861836870 /nfs/dbraw/zinc/83/68/70/861836870.db2.gz XGKIDOPLPVQIHI-UHFFFAOYSA-N -1 1 414.303 4.126 20 0 HIADMM CC[C@@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1nccs1 ZINC000436533908 861838943 /nfs/dbraw/zinc/83/89/43/861838943.db2.gz ZBAVTZUUTZIAJR-MRXNPFEDSA-N -1 1 417.437 4.260 20 0 HIADMM C[C@H](C(=O)Nc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1)n1cccn1 ZINC000031612865 847917294 /nfs/dbraw/zinc/91/72/94/847917294.db2.gz BUAQKKGQCAURAO-OAHLLOKOSA-N -1 1 400.438 4.194 20 0 HIADMM CC1(C)COCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436544192 861844511 /nfs/dbraw/zinc/84/45/11/861844511.db2.gz IJQTYTRSKKMGMF-UHFFFAOYSA-N -1 1 423.296 4.202 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCOCC(C)C)ccc2C)c1 ZINC000032038019 847980461 /nfs/dbraw/zinc/98/04/61/847980461.db2.gz FSLJOOKPOAFDKC-UHFFFAOYSA-N -1 1 404.532 4.105 20 0 HIADMM CCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000032071800 847985004 /nfs/dbraw/zinc/98/50/04/847985004.db2.gz MVBMVGGIUUFTKG-INIZCTEOSA-N -1 1 404.532 4.147 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc2N1 ZINC000032087692 847986907 /nfs/dbraw/zinc/98/69/07/847986907.db2.gz NJICMVFLDNIQOV-UHFFFAOYSA-N -1 1 404.797 4.044 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(CC)CC)cc2)cc1 ZINC000032088765 847987281 /nfs/dbraw/zinc/98/72/81/847987281.db2.gz AOARTOUYPPTYSK-KRWDZBQOSA-N -1 1 402.560 4.412 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC[C@@H]3CCCO3)ccc2C)c1 ZINC000032199235 847992770 /nfs/dbraw/zinc/99/27/70/847992770.db2.gz MMMMQEXBNLMKFH-IBGZPJMESA-N -1 1 402.516 4.002 20 0 HIADMM CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1 ZINC000032297518 847999296 /nfs/dbraw/zinc/99/92/96/847999296.db2.gz SUYXXWGFMGUWIZ-NRFANRHFSA-N -1 1 409.511 4.010 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc(F)cc1 ZINC000032332570 848006896 /nfs/dbraw/zinc/00/68/96/848006896.db2.gz VFIUQGXEOOUNHM-UHFFFAOYSA-N -1 1 416.449 4.432 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)[C@H]1CCCc2ccccc21 ZINC000032354414 848010619 /nfs/dbraw/zinc/01/06/19/848010619.db2.gz TYPSXBYYQYOGIQ-QFIPXVFZSA-N -1 1 421.522 4.032 20 0 HIADMM C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436571190 861855663 /nfs/dbraw/zinc/85/56/63/861855663.db2.gz BYJMECSZAJHFDB-GFCCVEGCSA-N -1 1 403.276 4.032 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])[C@H]1C ZINC000436569624 861856048 /nfs/dbraw/zinc/85/60/48/861856048.db2.gz GWNPRFDRBREVNL-STQMWFEESA-N -1 1 417.303 4.278 20 0 HIADMM C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c2ccccc21 ZINC000436573784 861856866 /nfs/dbraw/zinc/85/68/66/861856866.db2.gz IFMABKGTIYUSPB-ZHRRBRCNSA-N -1 1 400.478 4.300 20 0 HIADMM COc1c(C)ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000032447942 848029826 /nfs/dbraw/zinc/02/98/26/848029826.db2.gz MPSUBIHVDPGDQH-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C1 ZINC000436575188 861857508 /nfs/dbraw/zinc/85/75/08/861857508.db2.gz HYOSFDSTFVRDHL-ZDUSSCGKSA-N -1 1 417.303 4.279 20 0 HIADMM CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436575905 861857660 /nfs/dbraw/zinc/85/76/60/861857660.db2.gz PCIAOXVJJYASAA-MRXNPFEDSA-N -1 1 419.399 4.076 20 0 HIADMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000032589345 848049978 /nfs/dbraw/zinc/04/99/78/848049978.db2.gz UJJSPZKNQUZFAZ-UHFFFAOYSA-N -1 1 404.444 4.136 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)c2ccccc12 ZINC000032589510 848050100 /nfs/dbraw/zinc/05/01/00/848050100.db2.gz SMXHRATUTMPDHT-UHFFFAOYSA-N -1 1 424.522 4.320 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccc(Br)cc1Cl ZINC000032595408 848051157 /nfs/dbraw/zinc/05/11/57/848051157.db2.gz ANKOQYFCRMDGDB-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)cc1OC ZINC000032596849 848052219 /nfs/dbraw/zinc/05/22/19/848052219.db2.gz HMHSMAQFLBFHMF-UHFFFAOYSA-N -1 1 417.458 4.223 20 0 HIADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000032600056 848052295 /nfs/dbraw/zinc/05/22/95/848052295.db2.gz LNVDWJMGHFGPBG-UHFFFAOYSA-N -1 1 410.211 4.191 20 0 HIADMM COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436586106 861860728 /nfs/dbraw/zinc/86/07/28/861860728.db2.gz UWUHORLUGANMLH-OPAMFIHVSA-N -1 1 418.493 4.036 20 0 HIADMM COC[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])C1CC1 ZINC000436600524 861863892 /nfs/dbraw/zinc/86/38/92/861863892.db2.gz GLNXDRXOWVIAMU-QGZVFWFLSA-N -1 1 423.296 4.106 20 0 HIADMM CC1(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])CCC1 ZINC000436601152 861865110 /nfs/dbraw/zinc/86/51/10/861865110.db2.gz AZTHHSWXAIZLCJ-UHFFFAOYSA-N -1 1 403.276 4.079 20 0 HIADMM O=C(NCCc1cccc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436603912 861865848 /nfs/dbraw/zinc/86/58/48/861865848.db2.gz NEDPAPZRPHIHSR-OAQYLSRUSA-N -1 1 422.912 4.162 20 0 HIADMM O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436603675 861866151 /nfs/dbraw/zinc/86/61/51/861866151.db2.gz MMEMNQSTCNJDAS-OAQYLSRUSA-N -1 1 422.912 4.162 20 0 HIADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000033098175 848108343 /nfs/dbraw/zinc/10/83/43/848108343.db2.gz TVRRTMBBRUDVNW-HNAYVOBHSA-N -1 1 404.507 4.277 20 0 HIADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000033098034 848108554 /nfs/dbraw/zinc/10/85/54/848108554.db2.gz OKVOJWJTIQPWPN-RHSMWYFYSA-N -1 1 422.497 4.416 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCC[C@H](C)C3)c2)cc1 ZINC000033097849 848108633 /nfs/dbraw/zinc/10/86/33/848108633.db2.gz UHIHOCLFSVVWGJ-LPHOPBHVSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)Cc3cccs3)cc2)cc1 ZINC000033203641 848124602 /nfs/dbraw/zinc/12/46/02/848124602.db2.gz ZQLBWMGLNJCANQ-MRXNPFEDSA-N -1 1 414.552 4.218 20 0 HIADMM Cc1ccsc1CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436608996 861868492 /nfs/dbraw/zinc/86/84/92/861868492.db2.gz VEHKLQJDHISMNT-LJQANCHMSA-N -1 1 408.523 4.179 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436608672 861868637 /nfs/dbraw/zinc/86/86/37/861868637.db2.gz VAFWWACTSROYSR-NRFANRHFSA-N -1 1 423.419 4.199 20 0 HIADMM O=C(N[C@@H]1CCc2cc(F)ccc21)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436613106 861870264 /nfs/dbraw/zinc/87/02/64/861870264.db2.gz SOZMVORFPQJBAI-YADHBBJMSA-N -1 1 418.468 4.093 20 0 HIADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2c3ccccc3cc3ccccc32)cc1 ZINC000039587581 848193241 /nfs/dbraw/zinc/19/32/41/848193241.db2.gz WUPVUOOUBAOHGI-UHFFFAOYSA-N -1 1 413.429 4.115 20 0 HIADMM CC(C)(C)OC(=O)N1CCN(Cc2ccccc2C(=O)[O-])C[C@H]1Cc1ccccc1 ZINC000039952660 848196410 /nfs/dbraw/zinc/19/64/10/848196410.db2.gz UKLYTIRAZGEGJR-HXUWFJFHSA-N -1 1 410.514 4.049 20 0 HIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000436637472 861877334 /nfs/dbraw/zinc/87/73/34/861877334.db2.gz WQHSXJKCCSJQSL-OAHLLOKOSA-N -1 1 401.482 4.447 20 0 HIADMM N#CC(=C([O-])c1ccc(N)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041549162 848230822 /nfs/dbraw/zinc/23/08/22/848230822.db2.gz CQPFUBZGBVMFNK-JTQLQIEISA-N -1 1 406.345 4.296 20 0 HIADMM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436654263 861883152 /nfs/dbraw/zinc/88/31/52/861883152.db2.gz WRDYUVOEGZRASG-UHFFFAOYSA-N -1 1 406.269 4.400 20 0 HIADMM CCOc1cc2c(cc1CNC(=O)c1cc(Cl)c([O-])c(OCC)c1)O[C@@H](C)C2 ZINC000436675186 861890653 /nfs/dbraw/zinc/89/06/53/861890653.db2.gz JYWNFECWERZFCB-LBPRGKRZSA-N -1 1 405.878 4.096 20 0 HIADMM CC(C)[C@H]1CCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436688524 861894458 /nfs/dbraw/zinc/89/44/58/861894458.db2.gz LMHNROGNUMRXNW-QGZVFWFLSA-N -1 1 417.303 4.278 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccsc3)cc2)cc1C ZINC000042970552 848368427 /nfs/dbraw/zinc/36/84/27/848368427.db2.gz YAHGAEGNCPROCY-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(Cl)ccc1[O-] ZINC000436714224 861902997 /nfs/dbraw/zinc/90/29/97/861902997.db2.gz SROKSGCVDSYPMI-UHFFFAOYSA-N -1 1 400.784 4.165 20 0 HIADMM O=S(=O)([N-]c1cccc(NC(=S)NCCc2ccccc2)c1)c1ccccc1 ZINC000044081164 848511681 /nfs/dbraw/zinc/51/16/81/848511681.db2.gz AZIAIUQEGOQCSL-UHFFFAOYSA-N -1 1 411.552 4.017 20 0 HIADMM COc1ccc(NC(=S)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000044081162 848512067 /nfs/dbraw/zinc/51/20/67/848512067.db2.gz UXVGOFPQTCEGDQ-UHFFFAOYSA-N -1 1 413.524 4.305 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1Cc2cccc(Cl)c2C1 ZINC000436741061 861924761 /nfs/dbraw/zinc/92/47/61/861924761.db2.gz BQASPAFUYAAZHE-OAQYLSRUSA-N -1 1 420.896 4.346 20 0 HIADMM O=C(Nc1ccc(C(=O)N2Cc3ccccc3CO2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436744224 861927569 /nfs/dbraw/zinc/92/75/69/861927569.db2.gz KNULHIVXBZUMHT-UHFFFAOYSA-N -1 1 410.376 4.010 20 0 HIADMM CCCCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1)C1CC1 ZINC000045370065 848671761 /nfs/dbraw/zinc/67/17/61/848671761.db2.gz GTQULCLCUAKADM-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM CCCCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000045435095 848680183 /nfs/dbraw/zinc/68/01/83/848680183.db2.gz LGEVJRQWJVNKLC-UHFFFAOYSA-N -1 1 408.470 4.170 20 0 HIADMM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751529 861933938 /nfs/dbraw/zinc/93/39/38/861933938.db2.gz LZQGFEYPJLFOAA-UHFFFAOYSA-N -1 1 407.436 4.185 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3F)c([O-])c2)c1 ZINC000436756479 861940381 /nfs/dbraw/zinc/94/03/81/861940381.db2.gz QLZCYDJOAPAXPR-UHFFFAOYSA-N -1 1 424.428 4.362 20 0 HIADMM Cn1ccnc1[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(Cl)cc1 ZINC000436756019 861941597 /nfs/dbraw/zinc/94/15/97/861941597.db2.gz PKMGBHXYYYQHJW-MRXNPFEDSA-N -1 1 420.694 4.061 20 0 HIADMM COc1cc(F)ccc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436761418 861950497 /nfs/dbraw/zinc/95/04/97/861950497.db2.gz ZMACSNOGGRPETF-UHFFFAOYSA-N -1 1 416.355 4.323 20 0 HIADMM C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])c1ccon1 ZINC000436767246 861956648 /nfs/dbraw/zinc/95/66/48/861956648.db2.gz UHMLBYBYPCDFGP-SNVBAGLBSA-N -1 1 420.252 4.430 20 0 HIADMM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611743 848886099 /nfs/dbraw/zinc/88/60/99/848886099.db2.gz KDSWUKYVMAPQLR-OAHLLOKOSA-N -1 1 414.458 4.033 20 0 HIADMM Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611881 848886119 /nfs/dbraw/zinc/88/61/19/848886119.db2.gz RMEXRSWFBIELTK-UHFFFAOYSA-N -1 1 419.506 4.458 20 0 HIADMM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436764655 861953821 /nfs/dbraw/zinc/95/38/21/861953821.db2.gz SATADBRAMOXFAO-OAHLLOKOSA-N -1 1 403.404 4.374 20 0 HIADMM N#C[C@@H](C(=O)Cc1cccc2ccccc21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706934 848915075 /nfs/dbraw/zinc/91/50/75/848915075.db2.gz SFCFMBCEYQKPPP-SFHVURJKSA-N -1 1 413.502 4.436 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(-c2nc(-c3ccc(O)cc3)no2)c1 ZINC000436770313 861959950 /nfs/dbraw/zinc/95/99/50/861959950.db2.gz QNANKIKFSJZQAI-UHFFFAOYSA-N -1 1 411.414 4.049 20 0 HIADMM O=C(NCCc1ccc2ccccc2c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047065913 848979230 /nfs/dbraw/zinc/97/92/30/848979230.db2.gz YIMYFOJCMYANQT-UHFFFAOYSA-N -1 1 402.494 4.392 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000047190230 849001087 /nfs/dbraw/zinc/00/10/87/849001087.db2.gz LDNAUOFTJJGDDJ-FUHWJXTLSA-N -1 1 402.564 4.018 20 0 HIADMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cccc(C(C)=O)c3)cc2s1 ZINC000047211317 849004719 /nfs/dbraw/zinc/00/47/19/849004719.db2.gz GXVLXVDJYKSNSY-UHFFFAOYSA-N -1 1 417.512 4.038 20 0 HIADMM CCOc1cc(-c2noc(Cc3cccc(OC)c3)n2)cc(Br)c1[O-] ZINC000436776928 861970835 /nfs/dbraw/zinc/97/08/35/861970835.db2.gz MNTJKFFNNUTHHU-UHFFFAOYSA-N -1 1 405.248 4.203 20 0 HIADMM CCc1ccc(CCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000047362086 849032454 /nfs/dbraw/zinc/03/24/54/849032454.db2.gz DPSSRFLSVHQEEA-QGZVFWFLSA-N -1 1 405.523 4.235 20 0 HIADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436782573 861971794 /nfs/dbraw/zinc/97/17/94/861971794.db2.gz JBNPLCOYPIVIIY-MBSDFSHPSA-N -1 1 416.521 4.412 20 0 HIADMM O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436782891 861972146 /nfs/dbraw/zinc/97/21/46/861972146.db2.gz DOKAATWIJISPEM-UHFFFAOYSA-N -1 1 408.285 4.079 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000047527915 849064045 /nfs/dbraw/zinc/06/40/45/849064045.db2.gz HHDGHLMSWMJWSE-UHFFFAOYSA-N -1 1 410.857 4.436 20 0 HIADMM COc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000047907902 849136112 /nfs/dbraw/zinc/13/61/12/849136112.db2.gz UCZIGAOXSNKZOI-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 ZINC000048130634 849174498 /nfs/dbraw/zinc/17/44/98/849174498.db2.gz KNECUPWMEYBDKT-UHFFFAOYSA-N -1 1 406.507 4.175 20 0 HIADMM CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000048256624 849199892 /nfs/dbraw/zinc/19/98/92/849199892.db2.gz MZMKTWHKAJQDMA-UHFFFAOYSA-N -1 1 409.486 4.176 20 0 HIADMM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1sccc1Br ZINC000048444344 849224087 /nfs/dbraw/zinc/22/40/87/849224087.db2.gz OFHLNVYJLBQOQK-NSHDSACASA-N -1 1 408.339 4.165 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000436811003 861996641 /nfs/dbraw/zinc/99/66/41/861996641.db2.gz ULURGPJZRIORBH-HOYKHHGWSA-N -1 1 403.482 4.075 20 0 HIADMM O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436814114 861999028 /nfs/dbraw/zinc/99/90/28/861999028.db2.gz RJWAOCFNVZUZKX-OAQYLSRUSA-N -1 1 416.521 4.289 20 0 HIADMM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])c1C ZINC000436817471 862000513 /nfs/dbraw/zinc/00/05/13/862000513.db2.gz HTNAGNSCHQQVOL-INIZCTEOSA-N -1 1 424.444 4.182 20 0 HIADMM O=C(c1ccc([O-])cc1F)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000436820088 862002527 /nfs/dbraw/zinc/00/25/27/862002527.db2.gz KMBPCCGWYFCFKR-UHFFFAOYSA-N -1 1 408.267 4.115 20 0 HIADMM CCOc1cc(-c2noc(/C=C/c3cnccc3C)n2)cc(Br)c1[O-] ZINC000436819771 862003953 /nfs/dbraw/zinc/00/39/53/862003953.db2.gz JIMOOQBWUJINBW-SNAWJCMRSA-N -1 1 402.248 4.477 20 0 HIADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000050900907 849420045 /nfs/dbraw/zinc/42/00/45/849420045.db2.gz NXSNBWYZQJQOPB-FUHWJXTLSA-N -1 1 407.628 4.038 20 0 HIADMM CCO[C@@H](CCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C(C)C ZINC000436837015 862017888 /nfs/dbraw/zinc/01/78/88/862017888.db2.gz IOFFBVLPULKTFD-FQEVSTJZSA-N -1 1 420.456 4.104 20 0 HIADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000051467999 849473336 /nfs/dbraw/zinc/47/33/36/849473336.db2.gz YOGODFMKPBUKIY-HNAYVOBHSA-N -1 1 404.304 4.395 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(CN2CCc3ccccc32)CC1 ZINC000436849349 862027809 /nfs/dbraw/zinc/02/78/09/862027809.db2.gz SCFCVROEIYXKAW-UHFFFAOYSA-N -1 1 415.331 4.070 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(C)C)cc2F)cc1 ZINC000052080152 849549280 /nfs/dbraw/zinc/54/92/80/849549280.db2.gz MCNVUQPSLFKARN-UHFFFAOYSA-N -1 1 400.479 4.481 20 0 HIADMM O=C(NC1CCCCC1)C1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)CC1 ZINC000052086941 849550590 /nfs/dbraw/zinc/55/05/90/849550590.db2.gz DIYGKYNIDOPDDX-UHFFFAOYSA-N -1 1 419.639 4.182 20 0 HIADMM O=C(Nc1nc2ccsc2s1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436854295 862031963 /nfs/dbraw/zinc/03/19/63/862031963.db2.gz GOZKYDMMYWYGRT-INIZCTEOSA-N -1 1 423.519 4.460 20 0 HIADMM CC[C@@H]1CCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436860518 862039028 /nfs/dbraw/zinc/03/90/28/862039028.db2.gz OYDNGSOPNFAGJR-OAHLLOKOSA-N -1 1 403.276 4.032 20 0 HIADMM COc1cc(-c2noc(-c3ncsc3C(F)(F)F)n2)cc(Br)c1[O-] ZINC000436869535 862046069 /nfs/dbraw/zinc/04/60/69/862046069.db2.gz BBGSIYYYDQMUCN-UHFFFAOYSA-N -1 1 422.182 4.356 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CCCCN3C(=O)c3ccco3)n2)cc(Cl)c1[O-] ZINC000436871740 862047940 /nfs/dbraw/zinc/04/79/40/862047940.db2.gz KRXVBMRYAHIBFJ-CQSZACIVSA-N -1 1 417.849 4.455 20 0 HIADMM COc1ccc2c(c1)[C@@H](c1nc(-c3cc(Br)c([O-])c(OC)c3)no1)CC2 ZINC000436872747 862049700 /nfs/dbraw/zinc/04/97/00/862049700.db2.gz KXACHCVZZQZOQE-ZDUSSCGKSA-N -1 1 417.259 4.300 20 0 HIADMM CCOc1cc(-c2noc(C[C@@H]3CCC[C@@H](OC)C3)n2)cc(Br)c1[O-] ZINC000436872398 862050671 /nfs/dbraw/zinc/05/06/71/862050671.db2.gz MPYYDVZQQDPNRX-DGCLKSJQSA-N -1 1 411.296 4.351 20 0 HIADMM COc1cc(-c2noc([C@@H]3CCC(=O)[C@H](C)C3(C)C)n2)cc(Br)c1[O-] ZINC000436877507 862055106 /nfs/dbraw/zinc/05/51/06/862055106.db2.gz GVRRGPYCSFJMJS-ONGXEEELSA-N -1 1 409.280 4.322 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3ccncc3)c2)cc1 ZINC000054085983 849808648 /nfs/dbraw/zinc/80/86/48/849808648.db2.gz INWPFLZNABNEMU-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM COc1cccc(C2(c3nc(-c4cc(Br)c([O-])c(OC)c4)no3)CC2)c1 ZINC000436881961 862059757 /nfs/dbraw/zinc/05/97/57/862059757.db2.gz ZJAUBUZMWSUGKQ-UHFFFAOYSA-N -1 1 417.259 4.302 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CC(F)(F)C2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436882505 862061703 /nfs/dbraw/zinc/06/17/03/862061703.db2.gz SDDRIPHAZDFREA-UHFFFAOYSA-N -1 1 415.223 4.479 20 0 HIADMM Cc1ccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3O)n2)cc1 ZINC000436888514 862066856 /nfs/dbraw/zinc/06/68/56/862066856.db2.gz SUZSIUIFFHZASM-UHFFFAOYSA-N -1 1 413.480 4.280 20 0 HIADMM CO[C@H]1CC[C@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000436896678 862071551 /nfs/dbraw/zinc/07/15/51/862071551.db2.gz TVXBXXZVIOSNDH-JSGCOSHPSA-N -1 1 423.296 4.249 20 0 HIADMM O=C(N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)C(=O)c1ccc([O-])cc1 ZINC000436896546 862072021 /nfs/dbraw/zinc/07/20/21/862072021.db2.gz NIPIKYLPFPNWFT-AWEZNQCLSA-N -1 1 416.193 4.147 20 0 HIADMM Cc1occc1CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000055473844 850034357 /nfs/dbraw/zinc/03/43/57/850034357.db2.gz RCXQVJMQTDPTID-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM CCOc1cc(-c2noc(C3C[C@H]4CC[C@@H](C3)C4=O)n2)cc(Br)c1[O-] ZINC000436906800 862084775 /nfs/dbraw/zinc/08/47/75/862084775.db2.gz RHSYJSKXIBXHDO-DHHPTOIESA-N -1 1 407.264 4.076 20 0 HIADMM Cc1noc2nc(C(C)C)cc(C(=O)Nc3n[nH]c(-c4ccc([O-])c(Cl)c4)n3)c12 ZINC000436909812 862086324 /nfs/dbraw/zinc/08/63/24/862086324.db2.gz BAHOBMJZSVSHSJ-UHFFFAOYSA-N -1 1 412.837 4.051 20 0 HIADMM Cc1noc2nc(C(C)C)cc(C(=O)Nc3nc(-c4ccc([O-])c(Cl)c4)n[nH]3)c12 ZINC000436909812 862086345 /nfs/dbraw/zinc/08/63/45/862086345.db2.gz BAHOBMJZSVSHSJ-UHFFFAOYSA-N -1 1 412.837 4.051 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)c2ccccc12 ZINC000055595414 850071946 /nfs/dbraw/zinc/07/19/46/850071946.db2.gz UXUIAKTZRLSVNA-UHFFFAOYSA-N -1 1 410.495 4.306 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3)nc2)cc1OC ZINC000055621656 850080350 /nfs/dbraw/zinc/08/03/50/850080350.db2.gz JQXRBUWOBXJMCO-UHFFFAOYSA-N -1 1 400.456 4.000 20 0 HIADMM Cc1cc(C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000055639247 850086973 /nfs/dbraw/zinc/08/69/73/850086973.db2.gz UVEXENIQZWJMQD-UHFFFAOYSA-N -1 1 408.470 4.137 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000055642720 850087793 /nfs/dbraw/zinc/08/77/93/850087793.db2.gz CLOAGAXDPRTAAH-HUUCEWRRSA-N -1 1 404.507 4.053 20 0 HIADMM CC[C@@H](C)Oc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000055641033 850088509 /nfs/dbraw/zinc/08/85/09/850088509.db2.gz FQKNGDRBXRFQRD-CQSZACIVSA-N -1 1 412.515 4.432 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)c1 ZINC000055642725 850088750 /nfs/dbraw/zinc/08/87/50/850088750.db2.gz HBQBXRPHUIQMEQ-IAGOWNOFSA-N -1 1 400.544 4.222 20 0 HIADMM Cc1ccc(-c2nc(CC(=O)Nc3n[nH]c(-c4ccc([O-])c(Cl)c4)n3)cs2)o1 ZINC000436912896 862090841 /nfs/dbraw/zinc/09/08/41/862090841.db2.gz DVRMYXIDWQWLCR-UHFFFAOYSA-N -1 1 415.862 4.037 20 0 HIADMM Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccc([O-])c(Cl)c4)n[nH]3)cs2)o1 ZINC000436912896 862090853 /nfs/dbraw/zinc/09/08/53/862090853.db2.gz DVRMYXIDWQWLCR-UHFFFAOYSA-N -1 1 415.862 4.037 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)c(C)c1 ZINC000055651318 850096396 /nfs/dbraw/zinc/09/63/96/850096396.db2.gz NFPFCIATUGTGQG-UHFFFAOYSA-N -1 1 400.544 4.285 20 0 HIADMM O=C(CCCc1nc2ccccc2s1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436912998 862091341 /nfs/dbraw/zinc/09/13/41/862091341.db2.gz FRNBNVXEUFZJOZ-UHFFFAOYSA-N -1 1 413.890 4.402 20 0 HIADMM O=C(CCCc1nc2ccccc2s1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436912998 862091358 /nfs/dbraw/zinc/09/13/58/862091358.db2.gz FRNBNVXEUFZJOZ-UHFFFAOYSA-N -1 1 413.890 4.402 20 0 HIADMM COc1ncccc1-c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436917832 862097517 /nfs/dbraw/zinc/09/75/17/862097517.db2.gz FTHHTIVSKVYSMK-UHFFFAOYSA-N -1 1 424.363 4.043 20 0 HIADMM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436917414 862098491 /nfs/dbraw/zinc/09/84/91/862098491.db2.gz ZCDRQVKANKKYAE-JTQLQIEISA-N -1 1 406.870 4.337 20 0 HIADMM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436917414 862098512 /nfs/dbraw/zinc/09/85/12/862098512.db2.gz ZCDRQVKANKKYAE-JTQLQIEISA-N -1 1 406.870 4.337 20 0 HIADMM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc(Br)ccc1[O-] ZINC000436921751 862103315 /nfs/dbraw/zinc/10/33/15/862103315.db2.gz UQHICIGDBAJSIE-ZDUSSCGKSA-N -1 1 409.255 4.137 20 0 HIADMM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000436926223 862106244 /nfs/dbraw/zinc/10/62/44/862106244.db2.gz LCMKCBYVUJNZAS-MRXNPFEDSA-N -1 1 400.276 4.019 20 0 HIADMM C[C@H](c1ccco1)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000056184427 850275095 /nfs/dbraw/zinc/27/50/95/850275095.db2.gz AQSIGNTWIKUWLK-MRXNPFEDSA-N -1 1 410.495 4.446 20 0 HIADMM COc1ccc([C@@H]2CCCN2C(=O)c2cc(Br)ccc2[O-])cc1OC ZINC000436935402 862115348 /nfs/dbraw/zinc/11/53/48/862115348.db2.gz PHHZBPPOYOBFOC-HNNXBMFYSA-N -1 1 406.276 4.149 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(C(C)(C)c3ccccc3Br)no2)c1 ZINC000436949756 862128049 /nfs/dbraw/zinc/12/80/49/862128049.db2.gz AXJCZEGGDDYIGL-UHFFFAOYSA-N -1 1 416.275 4.489 20 0 HIADMM COc1cc([C@H](NC(=O)c2ccc(Cl)cc2[O-])C(F)(F)F)cc(OC)c1OC ZINC000436956692 862136272 /nfs/dbraw/zinc/13/62/72/862136272.db2.gz OPJGMDIMDFTOPD-INIZCTEOSA-N -1 1 419.783 4.105 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1Cl ZINC000057121137 850551574 /nfs/dbraw/zinc/55/15/74/850551574.db2.gz DDTGBUKQTHFNPY-UHFFFAOYSA-N -1 1 402.903 4.434 20 0 HIADMM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000057122503 850553756 /nfs/dbraw/zinc/55/37/56/850553756.db2.gz FRPHNFSIWZFFRK-UHFFFAOYSA-N -1 1 402.394 4.099 20 0 HIADMM Cc1cc(C)cc(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436973044 862150589 /nfs/dbraw/zinc/15/05/89/862150589.db2.gz RWXOHOFZYJEWGI-HSZRJFAPSA-N -1 1 416.521 4.126 20 0 HIADMM CCOc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000058225465 850783342 /nfs/dbraw/zinc/78/33/42/850783342.db2.gz KXAUUTPDSOSZFH-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1CCCC1 ZINC000058365809 850810162 /nfs/dbraw/zinc/81/01/62/850810162.db2.gz DDUUZBMQOOYJDI-UHFFFAOYSA-N -1 1 408.470 4.170 20 0 HIADMM CCOC(=O)N=c1[nH]c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2s1 ZINC000058495580 850839205 /nfs/dbraw/zinc/83/92/05/850839205.db2.gz RWFMRLSZKHZVKS-UHFFFAOYSA-N -1 1 409.464 4.113 20 0 HIADMM COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000437007518 862182200 /nfs/dbraw/zinc/18/22/00/862182200.db2.gz ZCVHHHVRLAOUPT-XZOQPEGZSA-N -1 1 401.462 4.341 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(OCC(F)(F)F)cc3)c3cccc1c23 ZINC000059772541 851011592 /nfs/dbraw/zinc/01/15/92/851011592.db2.gz DRWJTPPKEXWWAE-UHFFFAOYSA-N -1 1 422.384 4.147 20 0 HIADMM CCCCCN(Cc1ccc(F)cc1)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000059849666 851016774 /nfs/dbraw/zinc/01/67/74/851016774.db2.gz RHCZBVKNAGKUFR-UHFFFAOYSA-N -1 1 422.504 4.041 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c1 ZINC000060095071 851041461 /nfs/dbraw/zinc/04/14/61/851041461.db2.gz OASLANIKRWEVIW-UHFFFAOYSA-N -1 1 411.483 4.115 20 0 HIADMM CCOc1cccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000060185434 851049588 /nfs/dbraw/zinc/04/95/88/851049588.db2.gz QAHNRHUARZOXQX-KRWDZBQOSA-N -1 1 424.522 4.377 20 0 HIADMM CCc1ccc([C@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C(C)C)cc1 ZINC000060193081 851050345 /nfs/dbraw/zinc/05/03/45/851050345.db2.gz LYGFQBFXBIJZDE-HSZRJFAPSA-N -1 1 418.541 4.149 20 0 HIADMM Cc1cc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401516 851088223 /nfs/dbraw/zinc/08/82/23/851088223.db2.gz LPGRHROECMBRAF-UHFFFAOYSA-N -1 1 419.506 4.389 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000060414616 851091769 /nfs/dbraw/zinc/09/17/69/851091769.db2.gz ARPNDNLLUYIJAR-OAQYLSRUSA-N -1 1 424.547 4.451 20 0 HIADMM Cc1cccnc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000060657691 851180655 /nfs/dbraw/zinc/18/06/55/851180655.db2.gz QEDOZHUEIYASAK-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM O=C(CCc1ccccn1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000062931110 851607537 /nfs/dbraw/zinc/60/75/37/851607537.db2.gz DELRIRZBSLCRPP-UHFFFAOYSA-N -1 1 415.902 4.107 20 0 HIADMM O=C1Cc2ccc(Cl)cc2N1Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000062930323 851607758 /nfs/dbraw/zinc/60/77/58/851607758.db2.gz AGGWSTNBBYTKBV-UHFFFAOYSA-N -1 1 412.898 4.230 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1 ZINC000063149589 851623669 /nfs/dbraw/zinc/62/36/69/851623669.db2.gz PYHFUUMKRXNPKI-UHFFFAOYSA-N -1 1 408.523 4.221 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1C ZINC000063181212 851629409 /nfs/dbraw/zinc/62/94/09/851629409.db2.gz KYMIKRAOBATWCL-UHFFFAOYSA-N -1 1 423.494 4.253 20 0 HIADMM CCOc1cccc([C@H](C)NC(=O)N[N-]C(=O)c2sc(-c3ccccc3)nc2C)c1 ZINC000063323615 851660808 /nfs/dbraw/zinc/66/08/08/851660808.db2.gz VDMYJOBHUXFJPO-AWEZNQCLSA-N -1 1 424.526 4.222 20 0 HIADMM Cc1ccc(C(=O)NCCC(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000437082824 862275903 /nfs/dbraw/zinc/27/59/03/862275903.db2.gz LPQPDGHZDHSOBA-UHFFFAOYSA-N -1 1 420.840 4.131 20 0 HIADMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000063635094 851730547 /nfs/dbraw/zinc/73/05/47/851730547.db2.gz ZUIYCGKNZTZHAC-UHFFFAOYSA-N -1 1 403.544 4.309 20 0 HIADMM CCCCN(CC(F)(F)F)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000063656724 851735519 /nfs/dbraw/zinc/73/55/19/851735519.db2.gz KKDUVDDBPLGNMG-UHFFFAOYSA-N -1 1 414.449 4.292 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1 ZINC000063879169 851783911 /nfs/dbraw/zinc/78/39/11/851783911.db2.gz OTUZCZZADASHQM-UHFFFAOYSA-N -1 1 418.540 4.390 20 0 HIADMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000063886537 851786119 /nfs/dbraw/zinc/78/61/19/851786119.db2.gz DLMTUXAIRKSTNZ-UHFFFAOYSA-N -1 1 407.557 4.080 20 0 HIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063912117 851791497 /nfs/dbraw/zinc/79/14/97/851791497.db2.gz XHTMCAWYHVJMKK-UHFFFAOYSA-N -1 1 406.357 4.214 20 0 HIADMM CCCC(=O)Nc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CCC)c1C ZINC000064318693 851870517 /nfs/dbraw/zinc/87/05/17/851870517.db2.gz VXYVCNTZNFAWEB-UHFFFAOYSA-N -1 1 417.531 4.138 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1 ZINC000064476701 851907807 /nfs/dbraw/zinc/90/78/07/851907807.db2.gz UCLZUQTUUZYUIF-UHFFFAOYSA-N -1 1 412.964 4.249 20 0 HIADMM CCOC(=O)N=c1[nH]c2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc2s1 ZINC000064477530 851907932 /nfs/dbraw/zinc/90/79/32/851907932.db2.gz XKFXLPWNVTULSE-UHFFFAOYSA-N -1 1 423.541 4.387 20 0 HIADMM N#CC(=C([O-])c1ccc(N)c([N+](=O)[O-])c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714886 851964460 /nfs/dbraw/zinc/96/44/60/851964460.db2.gz ZSGTYUMLYFSRHI-SNVBAGLBSA-N -1 1 400.366 4.069 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000065160489 852081277 /nfs/dbraw/zinc/08/12/77/852081277.db2.gz QJQYQAUAYKOPHR-UHFFFAOYSA-N -1 1 402.422 4.042 20 0 HIADMM Cc1c(C(=O)[N-]NC(=O)CCSc2ccc(F)cc2)oc2c1c(C)ccc2C ZINC000065891018 852306247 /nfs/dbraw/zinc/30/62/47/852306247.db2.gz KRDQIYDKJBJEMT-UHFFFAOYSA-N -1 1 400.475 4.441 20 0 HIADMM CCCCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000068970464 852378742 /nfs/dbraw/zinc/37/87/42/852378742.db2.gz FIEJXKIGEBIVID-UHFFFAOYSA-N -1 1 404.532 4.148 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC000071949432 852442752 /nfs/dbraw/zinc/44/27/52/852442752.db2.gz UODSJZUKONJWPP-UHFFFAOYSA-N -1 1 424.814 4.184 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000072057100 852489982 /nfs/dbraw/zinc/48/99/82/852489982.db2.gz XPLOQIPEHRZWGE-YWZLYKJASA-N -1 1 402.491 4.031 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@H](C)c3cccnc3)c2)c1 ZINC000072087278 852503641 /nfs/dbraw/zinc/50/36/41/852503641.db2.gz YYYGENYTURZHMS-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1nc(C)cs1 ZINC000078514532 852517906 /nfs/dbraw/zinc/51/79/06/852517906.db2.gz SQMSFOJKXJMBJI-SFHVURJKSA-N -1 1 415.540 4.133 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1OC ZINC000078612974 852522328 /nfs/dbraw/zinc/52/23/28/852522328.db2.gz DBFMKINIQWEJRU-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000097039716 852576401 /nfs/dbraw/zinc/57/64/01/852576401.db2.gz LDXVGXCVLXUAEX-UHFFFAOYSA-N -1 1 404.442 4.313 20 0 HIADMM CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000097548803 852627332 /nfs/dbraw/zinc/62/73/32/852627332.db2.gz SHQHAJLZHZRACM-UHFFFAOYSA-N -1 1 404.435 4.280 20 0 HIADMM CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000097548794 852627445 /nfs/dbraw/zinc/62/74/45/852627445.db2.gz LGILLFUVIPOOBD-UHFFFAOYSA-N -1 1 422.425 4.419 20 0 HIADMM O=C(CCOc1ccc(Cl)cc1)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000097550976 852629238 /nfs/dbraw/zinc/62/92/38/852629238.db2.gz IBPVRLIHCFIMFY-UHFFFAOYSA-N -1 1 406.939 4.104 20 0 HIADMM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](c2n[n-]c(=S)n2C)C1 ZINC000097570057 852632559 /nfs/dbraw/zinc/63/25/59/852632559.db2.gz RBDGCGUTFJSAIE-YPMHNXCESA-N -1 1 413.374 4.369 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCc2ccccc21 ZINC000105719690 852724198 /nfs/dbraw/zinc/72/41/98/852724198.db2.gz DNMAFDYITDOLGK-QFIPXVFZSA-N -1 1 424.497 4.386 20 0 HIADMM CCc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)c2)n1 ZINC000108380776 852844366 /nfs/dbraw/zinc/84/43/66/852844366.db2.gz KUCJALIOGBGTPR-UHFFFAOYSA-N -1 1 424.309 4.107 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)[nH]n3)c2)c1 ZINC000108665561 852870372 /nfs/dbraw/zinc/87/03/72/852870372.db2.gz JCFGGGAYNPMPST-UHFFFAOYSA-N -1 1 412.515 4.069 20 0 HIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000109877835 853026854 /nfs/dbraw/zinc/02/68/54/853026854.db2.gz IWQRLAXEIKVZEO-UHFFFAOYSA-N -1 1 422.417 4.118 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(NC3CCCCC3)cc2)c(=O)[n-]1 ZINC000109893958 853030125 /nfs/dbraw/zinc/03/01/25/853030125.db2.gz TVSGEOYKZAXPPN-UHFFFAOYSA-N -1 1 400.548 4.116 20 0 HIADMM CSc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000110229743 853076128 /nfs/dbraw/zinc/07/61/28/853076128.db2.gz PGUIATRKLDTMNK-NRFANRHFSA-N -1 1 420.534 4.188 20 0 HIADMM Cn1ccc2c1cccc2NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000110490972 853106609 /nfs/dbraw/zinc/10/66/09/853106609.db2.gz NDWFUDKSQWUHND-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM CCCOc1ccc(C(=O)CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000115495164 853253097 /nfs/dbraw/zinc/25/30/97/853253097.db2.gz QDUONUUFJDQAJM-UHFFFAOYSA-N -1 1 423.509 4.265 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000115656231 853257026 /nfs/dbraw/zinc/25/70/26/853257026.db2.gz RZWXTPYNECOYGV-HNNXBMFYSA-N -1 1 422.916 4.088 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)[C@H](C)Cc3cccc(F)c3)n2)n[n-]c1=S ZINC000115987716 853276708 /nfs/dbraw/zinc/27/67/08/853276708.db2.gz ASTYNXMLTIPPLZ-GFCCVEGCSA-N -1 1 417.535 4.130 20 0 HIADMM CCC1CCC(CNC(=O)CCn2c(=S)[n-]nc2-c2ccc(OC)cc2)CC1 ZINC000115987458 853276899 /nfs/dbraw/zinc/27/68/99/853276899.db2.gz KVXUSBJCRFLDLW-UHFFFAOYSA-N -1 1 402.564 4.339 20 0 HIADMM Cc1ccc(-c2cc(NC(=O)Cn3c(=S)[n-]nc3-c3cccs3)n[nH]2)s1 ZINC000116377258 853300000 /nfs/dbraw/zinc/30/00/00/853300000.db2.gz DQRJRYZYRQOYAY-UHFFFAOYSA-N -1 1 402.530 4.068 20 0 HIADMM COc1ccc(C[C@@H](C)N(C)C(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000116404348 853302781 /nfs/dbraw/zinc/30/27/81/853302781.db2.gz WZYNPJKOXBUCEY-CQSZACIVSA-N -1 1 416.572 4.157 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(OC3CCCC3)CC2)c1 ZINC000116476886 853306704 /nfs/dbraw/zinc/30/67/04/853306704.db2.gz QTXNYYDOQRYTIK-UHFFFAOYSA-N -1 1 414.575 4.256 20 0 HIADMM Cc1c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000116826926 853335360 /nfs/dbraw/zinc/33/53/60/853335360.db2.gz JTXNNLKBNZJPJV-UHFFFAOYSA-N -1 1 423.900 4.275 20 0 HIADMM Cc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000138228608 853381130 /nfs/dbraw/zinc/38/11/30/853381130.db2.gz GNYQRKRKPMBQMU-OTOIZHKDSA-N -1 1 412.445 4.076 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000142089350 853487335 /nfs/dbraw/zinc/48/73/35/853487335.db2.gz BFUBACBDYZVPPF-LJQANCHMSA-N -1 1 408.527 4.376 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1c(F)cc(F)cc1F ZINC000147796600 853595039 /nfs/dbraw/zinc/59/50/39/853595039.db2.gz RMWSREZHHMHPHY-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000148010933 853598094 /nfs/dbraw/zinc/59/80/94/853598094.db2.gz BVCGWWZKBDTCLX-UHFFFAOYSA-N -1 1 413.499 4.362 20 0 HIADMM C[C@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000195700264 853766322 /nfs/dbraw/zinc/76/63/22/853766322.db2.gz DXUNFFXPJSJBPO-STQMWFEESA-N -1 1 415.342 4.408 20 0 HIADMM C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000215924842 853840237 /nfs/dbraw/zinc/84/02/37/853840237.db2.gz OEFPSLURONUCAO-UHFFFAOYSA-N -1 1 408.882 4.094 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C\c3cccnc3)ccc2C)c1 ZINC000216014398 853842261 /nfs/dbraw/zinc/84/22/61/853842261.db2.gz AMBNWNCMKWRFHY-LUAWRHEFSA-N -1 1 407.495 4.151 20 0 HIADMM CCOc1cc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc(Cl)c1[O-] ZINC000216332641 853850138 /nfs/dbraw/zinc/85/01/38/853850138.db2.gz ARXJWZAVUDNQOJ-UHFFFAOYSA-N -1 1 415.342 4.117 20 0 HIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)c3nccn3C)cc2)cc1 ZINC000216474961 853854364 /nfs/dbraw/zinc/85/43/64/853854364.db2.gz OPURYXVTAZGRSY-UHFFFAOYSA-N -1 1 411.527 4.041 20 0 HIADMM O=C(Nc1ccc(Br)cc1)c1ccc(I)c([O-])c1 ZINC000230885090 853896053 /nfs/dbraw/zinc/89/60/53/853896053.db2.gz YUGRXHLNQLRQHW-UHFFFAOYSA-N -1 1 418.028 4.012 20 0 HIADMM Cc1ccc(-c2cc(C(=O)N[N-]C(=O)c3cccnc3Cl)c3ccccc3n2)cc1 ZINC000255943107 854225807 /nfs/dbraw/zinc/22/58/07/854225807.db2.gz FWLIEPPLVWRPIC-UHFFFAOYSA-N -1 1 416.868 4.333 20 0 HIADMM C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261369387 854236378 /nfs/dbraw/zinc/23/63/78/854236378.db2.gz NEMFODAGUMKYTH-CYBMUJFWSA-N -1 1 404.869 4.107 20 0 HIADMM CCC[C@H](NC(=O)[C@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000261369345 854236452 /nfs/dbraw/zinc/23/64/52/854236452.db2.gz LEENKUVTLKIQJL-MBSDFSHPSA-N -1 1 408.542 4.333 20 0 HIADMM Cc1ccc2ncnc(NCc3ccccc3[N-]S(=O)(=O)c3ccccc3)c2c1 ZINC000301200458 854326368 /nfs/dbraw/zinc/32/63/68/854326368.db2.gz WFOZJLILYBGYLO-UHFFFAOYSA-N -1 1 404.495 4.351 20 0 HIADMM CC[C@@H](C)NC(=O)c1cccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000301354341 854369081 /nfs/dbraw/zinc/36/90/81/854369081.db2.gz JZDLGTWUXLPSPP-CQSZACIVSA-N -1 1 405.502 4.001 20 0 HIADMM Cc1nc(-c2ccc(N(C)Cc3ccccc3OC(F)(F)F)nc2)[n-]c(=O)c1C ZINC000301355189 854369229 /nfs/dbraw/zinc/36/92/29/854369229.db2.gz KDHVHHJKKITGMO-UHFFFAOYSA-N -1 1 404.392 4.396 20 0 HIADMM O=c1[n-]c(Sc2nc3ccccc3n2C(F)F)nc2c1cnn2-c1ccccc1 ZINC000301379329 854376610 /nfs/dbraw/zinc/37/66/10/854376610.db2.gz ZGNFUIHLNAQWEB-UHFFFAOYSA-N -1 1 410.409 4.417 20 0 HIADMM Cc1nc(-c2ccc(NCCOc3ccc(Br)cc3)nc2)[n-]c(=O)c1C ZINC000301382794 854377724 /nfs/dbraw/zinc/37/77/24/854377724.db2.gz VKCGBPRPSZLADJ-UHFFFAOYSA-N -1 1 415.291 4.114 20 0 HIADMM Cc1nc(-c2ccc(NC[C@@H](O)c3ccc(Cl)cc3Cl)nc2)[n-]c(=O)c1C ZINC000301391947 854380495 /nfs/dbraw/zinc/38/04/95/854380495.db2.gz HPKKQOCNBZLKOY-MRXNPFEDSA-N -1 1 405.285 4.313 20 0 HIADMM Cc1nc(-c2ccc(NCCc3nc(-c4ccc(Cl)cc4)no3)nc2)[n-]c(=O)c1C ZINC000301403631 854384610 /nfs/dbraw/zinc/38/46/10/854384610.db2.gz SBQGYYKMUKYXJI-UHFFFAOYSA-N -1 1 422.876 4.219 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437310428 862573691 /nfs/dbraw/zinc/57/36/91/862573691.db2.gz SEYDNNAVHXUVSF-XZOQPEGZSA-N -1 1 424.504 4.311 20 0 HIADMM CCOc1cccc([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000303020635 854725671 /nfs/dbraw/zinc/72/56/71/854725671.db2.gz UHCGEZGOZLMLBI-KRWDZBQOSA-N -1 1 424.522 4.377 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H]3C3CCC3)c2)cc1F ZINC000303122916 854770576 /nfs/dbraw/zinc/77/05/76/854770576.db2.gz AMZKMWCMGACXHQ-NRFANRHFSA-N -1 1 416.518 4.340 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1sccc1Br ZINC000437332409 862603073 /nfs/dbraw/zinc/60/30/73/862603073.db2.gz MRSRLJWCNNIHTF-RKDXNWHRSA-N -1 1 406.289 4.158 20 0 HIADMM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)no1 ZINC000303247627 854834479 /nfs/dbraw/zinc/83/44/79/854834479.db2.gz BBGPVTQYQRPFIB-UHFFFAOYSA-N -1 1 414.270 4.065 20 0 HIADMM Cc1ccc(C[C@@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)c(C)c1 ZINC000303304411 854862149 /nfs/dbraw/zinc/86/21/49/854862149.db2.gz DIJMQQSEVVDCKN-OAHLLOKOSA-N -1 1 400.573 4.424 20 0 HIADMM COc1ccc(-c2cc3[n-]c(CN4CCC(n5ccnc5)CC4)nc(=O)c3s2)cc1 ZINC000303359643 854890992 /nfs/dbraw/zinc/89/09/92/854890992.db2.gz IUSHSEAGLIJYFL-UHFFFAOYSA-N -1 1 421.526 4.106 20 0 HIADMM CCc1nc([C@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cs1 ZINC000303442620 854941711 /nfs/dbraw/zinc/94/17/11/854941711.db2.gz CGOBZYMQILCNPC-ZDUSSCGKSA-N -1 1 401.561 4.203 20 0 HIADMM Cn1c2ccccc2nc1-c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000437346409 862623468 /nfs/dbraw/zinc/62/34/68/862623468.db2.gz XXDRWSNUVNGZQX-UHFFFAOYSA-N -1 1 417.412 4.458 20 0 HIADMM CC(C)(C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccs1 ZINC000303646607 855102275 /nfs/dbraw/zinc/10/22/75/855102275.db2.gz SICKOYKTZIXRSH-UHFFFAOYSA-N -1 1 400.525 4.465 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3COc4ccccc43)ccc2C)c1 ZINC000303654939 855109996 /nfs/dbraw/zinc/10/99/96/855109996.db2.gz XRVSQYJTQINDNB-HXUWFJFHSA-N -1 1 422.506 4.219 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000303666305 855117936 /nfs/dbraw/zinc/11/79/36/855117936.db2.gz IPMSCDGZMUMOFR-SECBINFHSA-N -1 1 400.331 4.329 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(N3CCC(C)CC3)c2)c(=O)[n-]1 ZINC000303751199 855172823 /nfs/dbraw/zinc/17/28/23/855172823.db2.gz BVMFWMQJSHCAAN-UHFFFAOYSA-N -1 1 400.548 4.020 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000303762815 855181643 /nfs/dbraw/zinc/18/16/43/855181643.db2.gz HVZOAYXRTWRAEP-YJBOKZPZSA-N -1 1 410.518 4.460 20 0 HIADMM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Cc1cccs1 ZINC000303945601 855309326 /nfs/dbraw/zinc/30/93/26/855309326.db2.gz UPAZNJOTPVYZKL-MRXNPFEDSA-N -1 1 414.552 4.158 20 0 HIADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000318103712 855381798 /nfs/dbraw/zinc/38/17/98/855381798.db2.gz MXQLSVAXRUBBQA-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Br)c1cccnc1Cl ZINC000318889195 855384017 /nfs/dbraw/zinc/38/40/17/855384017.db2.gz PQIWYDPDUJDAMD-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(C)s1 ZINC000321983983 855391411 /nfs/dbraw/zinc/39/14/11/855391411.db2.gz NBHGZKXROFJHFQ-SECBINFHSA-N -1 1 419.322 4.075 20 0 HIADMM CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000326931161 855413004 /nfs/dbraw/zinc/41/30/04/855413004.db2.gz XFMCDLGTAYIWJO-UHFFFAOYSA-N -1 1 404.271 4.280 20 0 HIADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(SC(F)(F)F)cc2)c1 ZINC000327034069 855415385 /nfs/dbraw/zinc/41/53/85/855415385.db2.gz VNPTYHBAFSNEJB-UHFFFAOYSA-N -1 1 411.810 4.451 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3cc(Br)ccc3c2)cc1 ZINC000327337143 855416324 /nfs/dbraw/zinc/41/63/24/855416324.db2.gz BNLOJGCOSZFTMQ-UHFFFAOYSA-N -1 1 419.300 4.362 20 0 HIADMM Cc1cc(Br)c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1Cl ZINC000391245912 855458310 /nfs/dbraw/zinc/45/83/10/855458310.db2.gz MNDZDTRQSIZOHF-UHFFFAOYSA-N -1 1 423.647 4.259 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccoc1C1CC1 ZINC000409465407 855492770 /nfs/dbraw/zinc/49/27/70/855492770.db2.gz VJNZBPMBCXWMMW-UHFFFAOYSA-N -1 1 418.421 4.488 20 0 HIADMM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1cc(Br)sc1Cl ZINC000409891883 855709390 /nfs/dbraw/zinc/70/93/90/855709390.db2.gz JPXCLNNGWMQVBO-UHFFFAOYSA-N -1 1 408.717 4.268 20 0 HIADMM O=S(=O)([N-]CCCc1c[nH]c2ccc(F)cc12)c1sccc1Br ZINC000409927519 855728981 /nfs/dbraw/zinc/72/89/81/855728981.db2.gz ZKKWRHCZQTVFEJ-UHFFFAOYSA-N -1 1 417.325 4.042 20 0 HIADMM CC(C)Oc1c(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cccc1C(=O)[O-] ZINC000410399388 855974520 /nfs/dbraw/zinc/97/45/20/855974520.db2.gz DVCMFNBPSYBQFY-UHFFFAOYSA-N -1 1 417.405 4.078 20 0 HIADMM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)cc2o1 ZINC000410421003 855989041 /nfs/dbraw/zinc/98/90/41/855989041.db2.gz QVJBYTQULLITTK-UHFFFAOYSA-N -1 1 411.625 4.021 20 0 HIADMM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)n1 ZINC000425940315 856010525 /nfs/dbraw/zinc/01/05/25/856010525.db2.gz BCCUEMJQPDKCBC-UHFFFAOYSA-N -1 1 418.522 4.411 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1C ZINC000425958179 856018075 /nfs/dbraw/zinc/01/80/75/856018075.db2.gz LZGXKRLRSQAJHG-UHFFFAOYSA-N -1 1 418.559 4.484 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)cc1Cl ZINC000426013972 856047208 /nfs/dbraw/zinc/04/72/08/856047208.db2.gz PTBMHEIUAKRKDV-UHFFFAOYSA-N -1 1 408.907 4.328 20 0 HIADMM CCOc1cc(CNCc2ccc(C(=O)[O-])c(C)n2)ccc1OCc1ccccc1 ZINC000426650254 856393658 /nfs/dbraw/zinc/39/36/58/856393658.db2.gz AOTFJSDMGTXQMX-UHFFFAOYSA-N -1 1 406.482 4.356 20 0 HIADMM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000426673118 856406198 /nfs/dbraw/zinc/40/61/98/856406198.db2.gz DRWIEEUDXRITMM-SFHVURJKSA-N -1 1 405.372 4.457 20 0 HIADMM O=C([O-])C[C@H](NCc1cccc(OC(F)(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000426726629 856437080 /nfs/dbraw/zinc/43/70/80/856437080.db2.gz KXMPHUBQFSTNDF-SFHVURJKSA-N -1 1 405.376 4.077 20 0 HIADMM O=C([O-])[C@H](Cc1ccc(F)cc1)NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000426743475 856448328 /nfs/dbraw/zinc/44/83/28/856448328.db2.gz ASLJCHFDOZBTDB-SFHVURJKSA-N -1 1 420.893 4.300 20 0 HIADMM Cc1ccc(-c2ncc(CN[C@@H](CC(=O)[O-])c3cnn(-c4ccccc4)c3)s2)o1 ZINC000426755837 856459004 /nfs/dbraw/zinc/45/90/04/856459004.db2.gz GGKYQEXTJYMVLG-SFHVURJKSA-N -1 1 408.483 4.203 20 0 HIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(F)cc(C(F)(F)F)c2)cc1OC ZINC000426793689 856482240 /nfs/dbraw/zinc/48/22/40/856482240.db2.gz QZHQWDSRMYTDCI-OAHLLOKOSA-N -1 1 401.356 4.167 20 0 HIADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(-c3ccncc3)cc2F)cc1OC ZINC000426795480 856482317 /nfs/dbraw/zinc/48/23/17/856482317.db2.gz YDFCETQFZPKKLZ-FQEVSTJZSA-N -1 1 410.445 4.211 20 0 HIADMM COc1cc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)ccc1OCc1c(C)noc1C ZINC000426797465 856484486 /nfs/dbraw/zinc/48/44/86/856484486.db2.gz FLCSNGGJKKZDRS-GOSISDBHSA-N -1 1 414.458 4.086 20 0 HIADMM O=C([O-])[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(Br)cc1 ZINC000426816348 856494528 /nfs/dbraw/zinc/49/45/28/856494528.db2.gz KEYBZCWAIYRFDG-QGZVFWFLSA-N -1 1 420.694 4.204 20 0 HIADMM CCCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1OC ZINC000426829941 856503606 /nfs/dbraw/zinc/50/36/06/856503606.db2.gz TVOKMLXAZITZGK-SFHVURJKSA-N -1 1 411.857 4.201 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC(F)F)C(C)C)cc2)cc1C ZINC000427224473 856722647 /nfs/dbraw/zinc/72/26/47/856722647.db2.gz LESBBYAOOFHDPG-UHFFFAOYSA-N -1 1 410.486 4.220 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(O[C@H]4CCCC[C@@H]4O)cc3)cc2s1 ZINC000427250002 856735131 /nfs/dbraw/zinc/73/51/31/856735131.db2.gz MYJARFJPORQTJR-OALUTQOASA-N -1 1 418.540 4.088 20 0 HIADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC000437485003 862843239 /nfs/dbraw/zinc/84/32/39/862843239.db2.gz KPXHDRQOWPYVTM-YWZLYKJASA-N -1 1 420.513 4.250 20 0 HIADMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC000437485001 862843556 /nfs/dbraw/zinc/84/35/56/862843556.db2.gz KPXHDRQOWPYVTM-MGPUTAFESA-N -1 1 420.513 4.250 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](C)C(F)(F)C3)cc2)cc1C ZINC000427585601 856878617 /nfs/dbraw/zinc/87/86/17/856878617.db2.gz AAABRJKLDMWJSV-MRXNPFEDSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](C)C(F)(F)C3)cc2)c1 ZINC000427649464 856896903 /nfs/dbraw/zinc/89/69/03/856896903.db2.gz YFBUGYFHTNZJEM-INIZCTEOSA-N -1 1 422.497 4.222 20 0 HIADMM CC(=O)[C@@H](C)CCCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000427921009 857007483 /nfs/dbraw/zinc/00/74/83/857007483.db2.gz GOCJBCHIGIKWFE-INIZCTEOSA-N -1 1 402.516 4.211 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000428522688 857239274 /nfs/dbraw/zinc/23/92/74/857239274.db2.gz NXNUPHDNHPPCKT-KUHUBIRLSA-N -1 1 404.919 4.155 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3(C)CCCC3)c2)cc1 ZINC000428663508 857292237 /nfs/dbraw/zinc/29/22/37/857292237.db2.gz JIIHLNFFHJTGBF-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1ccc(Cl)s1 ZINC000429721114 857849823 /nfs/dbraw/zinc/84/98/23/857849823.db2.gz JQBAKLWRGHEXGQ-UHFFFAOYSA-N -1 1 420.899 4.024 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCCSc3ccc(Cl)cc32)c(=O)[n-]1 ZINC000430470359 858182157 /nfs/dbraw/zinc/18/21/57/858182157.db2.gz GUKXSTWKZGQONP-UHFFFAOYSA-N -1 1 409.964 4.328 20 0 HIADMM Cc1cncc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000430730187 858279539 /nfs/dbraw/zinc/27/95/39/858279539.db2.gz QRZHGRTZCYIZRW-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CCOc1ccc(S(=O)(=O)Nc2cccnc2-c2csc(C)c2)cc1C(=O)[O-] ZINC000437665981 863007432 /nfs/dbraw/zinc/00/74/32/863007432.db2.gz IZYOWTJJIIYPBH-UHFFFAOYSA-N -1 1 418.496 4.016 20 0 HIADMM CCc1ccc(S(=O)(=O)Nc2cccnc2-c2csc(C)c2)cc1C(=O)[O-] ZINC000437677581 863019641 /nfs/dbraw/zinc/01/96/41/863019641.db2.gz WPZDFKYGXQIHEM-UHFFFAOYSA-N -1 1 402.497 4.180 20 0 HIADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1Cl ZINC000431178195 858488797 /nfs/dbraw/zinc/48/87/97/858488797.db2.gz IGMGRYCFODKSDB-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000431313567 858559287 /nfs/dbraw/zinc/55/92/87/858559287.db2.gz PLEQPDBHUGPUOK-WCQYABFASA-N -1 1 422.761 4.480 20 0 HIADMM CSc1cc(C(=O)Nc2cc([O-])c(Br)cc2Br)ccn1 ZINC000431450184 858621466 /nfs/dbraw/zinc/62/14/66/858621466.db2.gz CQQXYSAGVZXTHN-UHFFFAOYSA-N -1 1 418.110 4.286 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1cccc(F)c1F ZINC000431459417 858626596 /nfs/dbraw/zinc/62/65/96/858626596.db2.gz UGMGGXHZLWXGHU-UHFFFAOYSA-N -1 1 407.008 4.448 20 0 HIADMM Cc1ccc(NC(=O)C2Cc3ccccc3C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000431495972 858643625 /nfs/dbraw/zinc/64/36/25/858643625.db2.gz RUQCLFBQLHWTQD-UHFFFAOYSA-N -1 1 406.507 4.149 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1noc(Cc2ccccc2)n1 ZINC000431917705 858870098 /nfs/dbraw/zinc/87/00/98/858870098.db2.gz ZMURGGPRZYNCFQ-LLVKDONJSA-N -1 1 412.298 4.007 20 0 HIADMM COc1cccc2c1[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c3ccccc3)c1)CC2 ZINC000432006547 858921006 /nfs/dbraw/zinc/92/10/06/858921006.db2.gz KODHSSOPJLPPFS-FQEVSTJZSA-N -1 1 422.506 4.165 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cncnc2)cc1)c1ccc(Cl)c(Br)c1 ZINC000432055971 858954726 /nfs/dbraw/zinc/95/47/26/858954726.db2.gz WUSTWWLDECGURE-UHFFFAOYSA-N -1 1 424.707 4.360 20 0 HIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000432059128 858956928 /nfs/dbraw/zinc/95/69/28/858956928.db2.gz AIJMNGOFYWHVPK-UHFFFAOYSA-N -1 1 402.697 4.496 20 0 HIADMM CC(C)(c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1)C(F)(F)F ZINC000432061293 858960204 /nfs/dbraw/zinc/96/02/04/858960204.db2.gz MGTHTYIOWIMNPJ-UHFFFAOYSA-N -1 1 400.378 4.174 20 0 HIADMM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000432068555 858965578 /nfs/dbraw/zinc/96/55/78/858965578.db2.gz WFBKRVFPLPJJES-RDTXWAMCSA-N -1 1 422.934 4.285 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)n1 ZINC000432187334 859037466 /nfs/dbraw/zinc/03/74/66/859037466.db2.gz VANLQTACYMAURL-UHFFFAOYSA-N -1 1 411.405 4.427 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)c2)n1 ZINC000432194005 859040796 /nfs/dbraw/zinc/04/07/96/859040796.db2.gz XWEOMUVQPYDDAY-UHFFFAOYSA-N -1 1 424.482 4.372 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)ccc2o1 ZINC000432378635 859130846 /nfs/dbraw/zinc/13/08/46/859130846.db2.gz ALQNTJBSODYDHF-UHFFFAOYSA-N -1 1 400.378 4.102 20 0 HIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cnc(-c2ncccn2)s1 ZINC000432589253 859242171 /nfs/dbraw/zinc/24/21/71/859242171.db2.gz URXJBWWCAJZFRQ-AWEZNQCLSA-N -1 1 420.523 4.172 20 0 HIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cc(-c2ccncc2)on1 ZINC000432600596 859248820 /nfs/dbraw/zinc/24/88/20/859248820.db2.gz JKIMTFUMSXNYML-INIZCTEOSA-N -1 1 403.467 4.309 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432602587 859249894 /nfs/dbraw/zinc/24/98/94/859249894.db2.gz NMKNKIDOHCIFGZ-HNNXBMFYSA-N -1 1 423.542 4.360 20 0 HIADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000432617552 859256743 /nfs/dbraw/zinc/25/67/43/859256743.db2.gz OJXNHFYNMFNSHH-OAHLLOKOSA-N -1 1 402.491 4.031 20 0 HIADMM Cn1cc(-c2ncc(C(=O)[N-]c3nnc([C@H]4CCCc5ccccc54)s3)s2)cn1 ZINC000432629620 859262029 /nfs/dbraw/zinc/26/20/29/859262029.db2.gz IRFFCBLIALUHJC-HNNXBMFYSA-N -1 1 422.539 4.116 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1C ZINC000432629923 859262631 /nfs/dbraw/zinc/26/26/31/859262631.db2.gz IUFVGXVAKFYZPG-UHFFFAOYSA-N -1 1 419.400 4.095 20 0 HIADMM CCOc1ccccc1NC(=O)[C@H](Sc1ncc(C(=O)OC)[n-]1)c1ccccc1 ZINC000432663840 859280418 /nfs/dbraw/zinc/28/04/18/859280418.db2.gz BSNHSDLJYMROPX-GOSISDBHSA-N -1 1 411.483 4.067 20 0 HIADMM CCOc1ccccc1NC(=O)[C@H](Sc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC000432663840 859280429 /nfs/dbraw/zinc/28/04/29/859280429.db2.gz BSNHSDLJYMROPX-GOSISDBHSA-N -1 1 411.483 4.067 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1C(C)C ZINC000432775068 859354448 /nfs/dbraw/zinc/35/44/48/859354448.db2.gz GQFQVTWYPCUPFJ-UHFFFAOYSA-N -1 1 416.543 4.164 20 0 HIADMM CCC(CC)n1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)n1 ZINC000432778748 859355490 /nfs/dbraw/zinc/35/54/90/859355490.db2.gz HWPDCSRRNTVKNX-UHFFFAOYSA-N -1 1 412.515 4.297 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1C(C)C ZINC000432778132 859356169 /nfs/dbraw/zinc/35/61/69/859356169.db2.gz GGMVYSMEYYAVOM-UHFFFAOYSA-N -1 1 418.559 4.456 20 0 HIADMM CCC(CC)n1nccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000432779482 859357261 /nfs/dbraw/zinc/35/72/61/859357261.db2.gz KOHNPAASGUSWTP-UHFFFAOYSA-N -1 1 412.515 4.297 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2NC(C)=O)cc1C(C)C ZINC000432782888 859358558 /nfs/dbraw/zinc/35/85/58/859358558.db2.gz WLEGYCQAYFCZDH-UHFFFAOYSA-N -1 1 412.458 4.164 20 0 HIADMM Cc1ccc(C(=O)Nc2cncc(F)c2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000467642688 881438515 /nfs/dbraw/zinc/43/85/15/881438515.db2.gz YZLZVWAFLBQADY-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)N(C)C ZINC000433487013 859728439 /nfs/dbraw/zinc/72/84/39/859728439.db2.gz IAHRPZHOSGKHPX-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)Cc3ccccc3)c2)c1 ZINC000433495963 859733864 /nfs/dbraw/zinc/73/38/64/859733864.db2.gz CFHHENPVUQHKDC-MHZLTWQESA-N -1 1 413.564 4.499 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3cccc(O)c3)c2)c1 ZINC000433929548 859978872 /nfs/dbraw/zinc/97/88/72/859978872.db2.gz FKWHGUISXJMJDI-KRWDZBQOSA-N -1 1 424.522 4.335 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000433954927 860000861 /nfs/dbraw/zinc/00/08/61/860000861.db2.gz XVJSUOFCAHGUFJ-RBBKRZOGSA-N -1 1 424.497 4.221 20 0 HIADMM CCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)cc2)CCC1 ZINC000434204157 860189869 /nfs/dbraw/zinc/18/98/69/860189869.db2.gz FOMHTLAXQWZCJY-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM CCSCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000434278237 860248111 /nfs/dbraw/zinc/24/81/11/860248111.db2.gz DBOCOJSDFKLYKC-INIZCTEOSA-N -1 1 406.573 4.091 20 0 HIADMM O=C(NC1CCC2(CC2)CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000434298978 860263162 /nfs/dbraw/zinc/26/31/62/860263162.db2.gz JFXXKXCUEKTTOS-UHFFFAOYSA-N -1 1 420.481 4.218 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000434976015 860583186 /nfs/dbraw/zinc/58/31/86/860583186.db2.gz IWWOFMYEICRXJF-OAQYLSRUSA-N -1 1 424.570 4.002 20 0 HIADMM Cc1cc[nH]c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000435391341 860782414 /nfs/dbraw/zinc/78/24/14/860782414.db2.gz SCLHFONEMJTTKF-UHFFFAOYSA-N -1 1 423.416 4.395 20 0 HIADMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000435489628 860818705 /nfs/dbraw/zinc/81/87/05/860818705.db2.gz CHAZYNMBDIWOPP-UHFFFAOYSA-N -1 1 419.400 4.047 20 0 HIADMM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1sccc1Br ZINC000435582115 860897148 /nfs/dbraw/zinc/89/71/48/860897148.db2.gz AUNNGTUQSAMSMV-QPUJVOFHSA-N -1 1 410.717 4.138 20 0 HIADMM O=S(=O)([N-][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1sccc1Br ZINC000435588298 860898548 /nfs/dbraw/zinc/89/85/48/860898548.db2.gz LNCWGTMZCYIZDF-OTCDBFHCSA-N -1 1 408.289 4.013 20 0 HIADMM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000467793550 881615548 /nfs/dbraw/zinc/61/55/48/881615548.db2.gz VOQMTLGUMXDQEK-CABCVRRESA-N -1 1 416.362 4.018 20 0 HIADMM CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000435932411 861189968 /nfs/dbraw/zinc/18/99/68/861189968.db2.gz BOIICDUXCGJXCY-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)C(F)(F)F ZINC000438047373 863410842 /nfs/dbraw/zinc/41/08/42/863410842.db2.gz JEKHNYOCZQILFM-VIFPVBQESA-N -1 1 424.803 4.417 20 0 HIADMM Cc1c[nH]cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438052912 863420689 /nfs/dbraw/zinc/42/06/89/863420689.db2.gz JUROCYXZHXDNNI-UHFFFAOYSA-N -1 1 407.854 4.169 20 0 HIADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C ZINC000438238957 863687855 /nfs/dbraw/zinc/68/78/55/863687855.db2.gz OOBLJMHIWCPCEJ-UHFFFAOYSA-N -1 1 401.332 4.119 20 0 HIADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000438614966 864040386 /nfs/dbraw/zinc/04/03/86/864040386.db2.gz WWKVQYHULBXYJS-QGZVFWFLSA-N -1 1 414.449 4.194 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1Br ZINC000438761370 864255860 /nfs/dbraw/zinc/25/58/60/864255860.db2.gz ACUYCNKZUGCEBS-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccc(Cl)cn4)cc3)cc2o1 ZINC000438762273 864257911 /nfs/dbraw/zinc/25/79/11/864257911.db2.gz VPPJRHAJESUFJV-UHFFFAOYSA-N -1 1 417.830 4.175 20 0 HIADMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000438767131 864262686 /nfs/dbraw/zinc/26/26/86/864262686.db2.gz UVBRRMDGBCFVAV-UHFFFAOYSA-N -1 1 404.326 4.295 20 0 HIADMM O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1c(F)ccc([O-])c1F ZINC000438773915 864269370 /nfs/dbraw/zinc/26/93/70/864269370.db2.gz NHFQRNQEESLJAG-KRWDZBQOSA-N -1 1 414.477 4.261 20 0 HIADMM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C)c(Br)c2)n1 ZINC000438785056 864278004 /nfs/dbraw/zinc/27/80/04/864278004.db2.gz KITZLVJKLVBGKX-UHFFFAOYSA-N -1 1 420.332 4.361 20 0 HIADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000438795240 864288403 /nfs/dbraw/zinc/28/84/03/864288403.db2.gz JZJDHRHRONTYTF-UHFFFAOYSA-N -1 1 418.544 4.146 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC3CC3)ccc2C)c2ccccc12 ZINC000438857185 864351052 /nfs/dbraw/zinc/35/10/52/864351052.db2.gz MICKVLNLOSZQLE-UHFFFAOYSA-N -1 1 424.522 4.097 20 0 HIADMM C[C@H](N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1(C)CC1 ZINC000439017787 864469774 /nfs/dbraw/zinc/46/97/74/864469774.db2.gz CPGODLICZSPSKV-AWEZNQCLSA-N -1 1 406.935 4.401 20 0 HIADMM C[C@H](N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1(C)CC1 ZINC000439025507 864481790 /nfs/dbraw/zinc/48/17/90/864481790.db2.gz IYDGNJAVBVJOKV-ZDUSSCGKSA-N -1 1 408.470 4.026 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)C3(C)CC3)cc2)cc1 ZINC000439029962 864485763 /nfs/dbraw/zinc/48/57/63/864485763.db2.gz YCTMEZOVNBFDBY-INIZCTEOSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3c(Cl)cccc3S(C)(=O)=O)s2)c1 ZINC000439111643 864548948 /nfs/dbraw/zinc/54/89/48/864548948.db2.gz APZXSUMLWKAICJ-UHFFFAOYSA-N -1 1 421.931 4.131 20 0 HIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000439560286 864885603 /nfs/dbraw/zinc/88/56/03/864885603.db2.gz DEDBFEQERLVSQS-UHFFFAOYSA-N -1 1 422.428 4.241 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1)c1ccccc1 ZINC000439567958 864891111 /nfs/dbraw/zinc/89/11/11/864891111.db2.gz HZPDTNMOVGBZQX-CQSZACIVSA-N -1 1 405.426 4.440 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000439801698 865119827 /nfs/dbraw/zinc/11/98/27/865119827.db2.gz QPHODXHOLIXPRK-ZBFHGGJFSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000440005332 865306251 /nfs/dbraw/zinc/30/62/51/865306251.db2.gz OTYCRWWNIKAKDU-UHFFFAOYSA-N -1 1 406.408 4.118 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c(C)c1 ZINC000440295160 865550670 /nfs/dbraw/zinc/55/06/70/865550670.db2.gz MHPFOBFPURMGOG-OAHLLOKOSA-N -1 1 416.543 4.038 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)cc1C ZINC000440414625 865708419 /nfs/dbraw/zinc/70/84/19/865708419.db2.gz ZZDMKDDJKNOMRZ-QAPCUYQASA-N -1 1 400.544 4.365 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CC(F)(F)C1 ZINC000440513365 865801805 /nfs/dbraw/zinc/80/18/05/865801805.db2.gz KAAHWMHIMULMIE-UHFFFAOYSA-N -1 1 400.834 4.125 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCC(F)(F)F)ccc2C)cc1 ZINC000440531185 865806139 /nfs/dbraw/zinc/80/61/39/865806139.db2.gz LKBRSFGJEFNAAP-UHFFFAOYSA-N -1 1 414.449 4.177 20 0 HIADMM Cc1ccc(NC(=O)C2CC(F)(F)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000440535468 865807949 /nfs/dbraw/zinc/80/79/49/865807949.db2.gz VXNDZEVMXAUSOW-UHFFFAOYSA-N -1 1 414.861 4.433 20 0 HIADMM CCc1ccc(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)cc1C(=O)[O-] ZINC000440822308 865938029 /nfs/dbraw/zinc/93/80/29/865938029.db2.gz AZTGJISMILBSJV-UHFFFAOYSA-N -1 1 419.446 4.244 20 0 HIADMM Cc1c(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)sc2ccc(Cl)cc12 ZINC000441147937 866240216 /nfs/dbraw/zinc/24/02/16/866240216.db2.gz RRNURKPDZFXDGF-UHFFFAOYSA-N -1 1 414.918 4.087 20 0 HIADMM Cc1ccnc(Oc2ccc(NC(=O)c3cc(Br)ccc3[O-])cc2)n1 ZINC000441532677 866610297 /nfs/dbraw/zinc/61/02/97/866610297.db2.gz LDUDDXWPVROBIZ-UHFFFAOYSA-N -1 1 400.232 4.298 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(Oc4nccc(C)n4)cc3)cc2)co1 ZINC000441731534 866825291 /nfs/dbraw/zinc/82/52/91/866825291.db2.gz TVFWCXZUHOCAOT-UHFFFAOYSA-N -1 1 422.466 4.342 20 0 HIADMM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000442244061 867284463 /nfs/dbraw/zinc/28/44/63/867284463.db2.gz RMEIHPQWHISHCY-UHFFFAOYSA-N -1 1 415.902 4.132 20 0 HIADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)cc1 ZINC000442340298 867334847 /nfs/dbraw/zinc/33/48/47/867334847.db2.gz JQBMIKBSQXKIRN-UHFFFAOYSA-N -1 1 422.934 4.164 20 0 HIADMM CCOCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC1 ZINC000442416835 867389233 /nfs/dbraw/zinc/38/92/33/867389233.db2.gz WKLKOWYCIQPEGD-UHFFFAOYSA-N -1 1 422.934 4.204 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000442653865 867592354 /nfs/dbraw/zinc/59/23/54/867592354.db2.gz RJJHDPVBINOWQB-UHFFFAOYSA-N -1 1 415.902 4.258 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(C3(c4cccc(Br)c4)CC3)no2)c1 ZINC000442680594 867614733 /nfs/dbraw/zinc/61/47/33/867614733.db2.gz MGVAQFDDGYXLKX-UHFFFAOYSA-N -1 1 414.259 4.243 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)cc(Cl)c1[O-] ZINC000442938529 867753930 /nfs/dbraw/zinc/75/39/30/867753930.db2.gz ALRXIHNNIZWLFO-UHFFFAOYSA-N -1 1 411.845 4.262 20 0 HIADMM COC(=O)COc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c2ccccc12 ZINC000443060188 867805183 /nfs/dbraw/zinc/80/51/83/867805183.db2.gz OLTMIMBDEULGNT-UHFFFAOYSA-N -1 1 415.829 4.012 20 0 HIADMM COc1cc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc(Cl)c1[O-] ZINC000443057732 867805443 /nfs/dbraw/zinc/80/54/43/867805443.db2.gz KYZTXZRHSLLDQH-LBPRGKRZSA-N -1 1 406.935 4.409 20 0 HIADMM Cc1ccc(-c2cccc(CNC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)c2)cc1 ZINC000468230621 882124453 /nfs/dbraw/zinc/12/44/53/882124453.db2.gz QZQZWGVGTSSNDL-UHFFFAOYSA-N -1 1 424.504 4.387 20 0 HIADMM COc1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc(Cl)c1[O-] ZINC000443116413 867827556 /nfs/dbraw/zinc/82/75/56/867827556.db2.gz HTTVCQFRQZOIME-MRXNPFEDSA-N -1 1 400.233 4.060 20 0 HIADMM CCOc1cc(-c2nc(-c3cccc(CN4CCCC4=O)c3)no2)cc(Cl)c1[O-] ZINC000443190213 867867678 /nfs/dbraw/zinc/86/76/78/867867678.db2.gz DVFSPMCEMCAVAQ-UHFFFAOYSA-N -1 1 413.861 4.284 20 0 HIADMM COCCOc1ccc(Cl)cc1-c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443205483 867874835 /nfs/dbraw/zinc/87/48/35/867874835.db2.gz SZSUYBMKNABOLG-UHFFFAOYSA-N -1 1 411.241 4.450 20 0 HIADMM CCOc1cc(-c2nc(CN(C(=O)c3ccccc3)C3CC3)no2)cc(Cl)c1[O-] ZINC000443223138 867879986 /nfs/dbraw/zinc/87/99/86/867879986.db2.gz JRKQRCOYIPBLNZ-UHFFFAOYSA-N -1 1 413.861 4.299 20 0 HIADMM CCOc1cc(-c2nc(-c3ccc(OCCOC)c(F)c3)no2)cc(Cl)c1[O-] ZINC000443221622 867880612 /nfs/dbraw/zinc/88/06/12/867880612.db2.gz JOHBOEZYJHUQGP-UHFFFAOYSA-N -1 1 408.813 4.326 20 0 HIADMM COc1cc(C(=O)NC[C@H](C)Oc2cccc(Br)c2)cc(Cl)c1[O-] ZINC000443291024 867891715 /nfs/dbraw/zinc/89/17/15/867891715.db2.gz DRPCYRGWNRWJPI-JTQLQIEISA-N -1 1 414.683 4.014 20 0 HIADMM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000443318745 867902756 /nfs/dbraw/zinc/90/27/56/867902756.db2.gz HIWPYORWKIFXJF-SFHVURJKSA-N -1 1 424.875 4.242 20 0 HIADMM O=S(=O)([N-]c1ncccc1Br)c1ccc(C(F)(F)F)cc1Cl ZINC000443407741 867989286 /nfs/dbraw/zinc/98/92/86/867989286.db2.gz FLHWQWMTJUBEDS-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(C[S@](C)=O)c3C)c2)n1 ZINC000443411281 867994014 /nfs/dbraw/zinc/99/40/14/867994014.db2.gz QXHHIJWMPUZPLU-SANMLTNESA-N -1 1 420.581 4.106 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(Br)c(Cl)c1 ZINC000443418517 868002322 /nfs/dbraw/zinc/00/23/22/868002322.db2.gz PULGPULGVPQSJR-UHFFFAOYSA-N -1 1 412.696 4.293 20 0 HIADMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1c(C)cc(N(C)C)cc1C ZINC000443421138 868006484 /nfs/dbraw/zinc/00/64/84/868006484.db2.gz XJMRRLPBISGISH-UHFFFAOYSA-N -1 1 403.367 4.303 20 0 HIADMM CC[C@@]1(C)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)C1 ZINC000468249197 882156102 /nfs/dbraw/zinc/15/61/02/882156102.db2.gz DFOUEUDDZWNZMU-QFIPXVFZSA-N -1 1 400.544 4.366 20 0 HIADMM CC(C)(C)OC(=O)c1cc(C(=O)[N-]c2c(F)cc(F)cc2F)nn1-c1ccccc1 ZINC000443914183 868450642 /nfs/dbraw/zinc/45/06/42/868450642.db2.gz DSTNMCVDHUUMJJ-UHFFFAOYSA-N -1 1 417.387 4.497 20 0 HIADMM COc1ccc(NC(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)cc1[N-]S(C)(=O)=O ZINC000444015941 868540005 /nfs/dbraw/zinc/54/00/05/868540005.db2.gz BROYETYJFDWWNL-CABCVRRESA-N -1 1 411.568 4.183 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1nc(C2CCCCC2)no1 ZINC000444086008 868608500 /nfs/dbraw/zinc/60/85/00/868608500.db2.gz PWDSNRZMMZIQGA-JTQLQIEISA-N -1 1 421.416 4.315 20 0 HIADMM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)n1 ZINC000444352766 868782811 /nfs/dbraw/zinc/78/28/11/868782811.db2.gz OORRXQUQWCJFOJ-UHFFFAOYSA-N -1 1 416.909 4.274 20 0 HIADMM CN(CC1(c2ccccc2)CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000444367719 868793998 /nfs/dbraw/zinc/79/39/98/868793998.db2.gz UQZADGJBPHEHRF-UHFFFAOYSA-N -1 1 420.534 4.291 20 0 HIADMM CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cc1 ZINC000444375584 868800141 /nfs/dbraw/zinc/80/01/41/868800141.db2.gz PWKGMRKTIGGRCQ-UHFFFAOYSA-N -1 1 423.513 4.302 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000444381598 868801673 /nfs/dbraw/zinc/80/16/73/868801673.db2.gz PCBFSGMWEPKUBM-UHFFFAOYSA-N -1 1 407.392 4.121 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cnc(-c2ccncc2)s1 ZINC000444384632 868803271 /nfs/dbraw/zinc/80/32/71/868803271.db2.gz SKRXFTFKMRTKFI-UHFFFAOYSA-N -1 1 422.510 4.226 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc(Br)o1 ZINC000444386916 868803350 /nfs/dbraw/zinc/80/33/50/868803350.db2.gz WAQDVMSSAQHHGJ-UHFFFAOYSA-N -1 1 407.264 4.063 20 0 HIADMM COc1cccc(NC(=O)Cc2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)c1 ZINC000445288898 869339948 /nfs/dbraw/zinc/33/99/48/869339948.db2.gz VJVVKDMISWJZHP-UHFFFAOYSA-N -1 1 417.421 4.424 20 0 HIADMM CCOc1cc(-c2nc(CC(=O)Nc3ccc(C)cc3C)no2)cc(Cl)c1[O-] ZINC000445361476 869426284 /nfs/dbraw/zinc/42/62/84/869426284.db2.gz UNEAADKZEJVNPF-UHFFFAOYSA-N -1 1 401.850 4.292 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(COc3ccccc3F)on2)c1 ZINC000468362288 882301330 /nfs/dbraw/zinc/30/13/30/882301330.db2.gz WNRSLCLQKIWYGE-UHFFFAOYSA-N -1 1 421.222 4.422 20 0 HIADMM COc1cc(-c2noc(-c3ccc(OC(F)F)cc3)n2)cc(Br)c1[O-] ZINC000445389461 869475978 /nfs/dbraw/zinc/47/59/78/869475978.db2.gz FRXAIMXTPBBOBU-UHFFFAOYSA-N -1 1 413.174 4.482 20 0 HIADMM CCOCCC1(c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)CCCC1 ZINC000445392383 869478714 /nfs/dbraw/zinc/47/87/14/869478714.db2.gz NKWJEIDNTIHNJJ-UHFFFAOYSA-N -1 1 411.296 4.452 20 0 HIADMM COc1cc(-c2noc(-c3cn(C)c4ccccc34)n2)cc(Br)c1[O-] ZINC000445400050 869485421 /nfs/dbraw/zinc/48/54/21/869485421.db2.gz CCKQZSHBTRPJLT-UHFFFAOYSA-N -1 1 400.232 4.372 20 0 HIADMM COc1cc(-c2noc(CCC(=O)c3ccc(C)cc3)n2)cc(Br)c1[O-] ZINC000445407507 869492109 /nfs/dbraw/zinc/49/21/09/869492109.db2.gz ZVOOEQFSMLYHLE-UHFFFAOYSA-N -1 1 417.259 4.337 20 0 HIADMM CCOc1cc(-c2noc(CCc3c(C)nc(SC)nc3C)n2)cc(Cl)c1[O-] ZINC000445409837 869493131 /nfs/dbraw/zinc/49/31/31/869493131.db2.gz WVYKMSAFQAMSRU-UHFFFAOYSA-N -1 1 420.922 4.408 20 0 HIADMM CCOc1cc(-c2noc(CCC(=O)c3ccc(OC)c(F)c3)n2)cc(Cl)c1[O-] ZINC000445409977 869493394 /nfs/dbraw/zinc/49/33/94/869493394.db2.gz CSZKLMNMSVBZIO-UHFFFAOYSA-N -1 1 420.824 4.458 20 0 HIADMM CCOc1cc(-c2noc(CCc3nc(-c4cccs4)no3)n2)cc(Cl)c1[O-] ZINC000445410813 869494700 /nfs/dbraw/zinc/49/47/00/869494700.db2.gz GPKJSJLSPGWNOM-UHFFFAOYSA-N -1 1 418.862 4.391 20 0 HIADMM Cc1sc2[nH]c(CCc3nc(-c4ccc([O-])cc4Cl)no3)nc(=O)c2c1C ZINC000445445322 869526209 /nfs/dbraw/zinc/52/62/09/869526209.db2.gz LYRGXZAZMRDGKF-UHFFFAOYSA-N -1 1 402.863 4.208 20 0 HIADMM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](c1nc(-c3ccc([O-])cc3Cl)no1)CC2 ZINC000445445243 869526644 /nfs/dbraw/zinc/52/66/44/869526644.db2.gz IQLOPZHWSDBECH-SECBINFHSA-N -1 1 410.783 4.485 20 0 HIADMM Cc1nc2c3ccccc3nn2c(C)c1CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483908 869555371 /nfs/dbraw/zinc/55/53/71/869555371.db2.gz XMGDJXVGIKKFRK-UHFFFAOYSA-N -1 1 403.417 4.179 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc([C@H]4CCCOC4)no3)c2)c1 ZINC000445525511 869584188 /nfs/dbraw/zinc/58/41/88/869584188.db2.gz OQDQAJMYRJUXOD-INIZCTEOSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cncs4)no3)ccc2C)c1 ZINC000445585435 869645449 /nfs/dbraw/zinc/64/54/49/869645449.db2.gz YDLIYQVWDFHKDM-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(C(C)(C)c2cccc(F)c2)no1 ZINC000445617925 869681310 /nfs/dbraw/zinc/68/13/10/869681310.db2.gz GTGOHWXWJWFGCM-UHFFFAOYSA-N -1 1 419.460 4.186 20 0 HIADMM O=C(C[C@@H]1CCCCO1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000445656634 869724776 /nfs/dbraw/zinc/72/47/76/869724776.db2.gz WSORUHCWCKXGKC-KRWDZBQOSA-N -1 1 408.907 4.039 20 0 HIADMM CCSCCCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000445758574 869804388 /nfs/dbraw/zinc/80/43/88/869804388.db2.gz JSXSXADHZFNMEH-UHFFFAOYSA-N -1 1 421.519 4.362 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](C(C)C)C3)cc2)c1 ZINC000446514732 870433250 /nfs/dbraw/zinc/43/32/50/870433250.db2.gz NKZFNFVDNXZFSU-IBGZPJMESA-N -1 1 400.544 4.222 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](C(C)C)C3)c2)c1 ZINC000446517078 870434796 /nfs/dbraw/zinc/43/47/96/870434796.db2.gz CMACMSNCSIADIJ-IBGZPJMESA-N -1 1 400.544 4.222 20 0 HIADMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cnco2)cc1 ZINC000446624108 870527645 /nfs/dbraw/zinc/52/76/45/870527645.db2.gz MYRWCZHWRVECSK-UHFFFAOYSA-N -1 1 406.485 4.200 20 0 HIADMM CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000446641131 870550572 /nfs/dbraw/zinc/55/05/72/870550572.db2.gz BTWYEYVXFDNWHD-UHFFFAOYSA-N -1 1 424.544 4.202 20 0 HIADMM C[C@]1(c2ccccc2)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000446686223 870600811 /nfs/dbraw/zinc/60/08/11/870600811.db2.gz AERROWLVSNQGCY-DEOSSOPVSA-N -1 1 420.534 4.291 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)c(C)n1 ZINC000446709095 870624772 /nfs/dbraw/zinc/62/47/72/870624772.db2.gz WHLVYQWKZLRRCS-UHFFFAOYSA-N -1 1 413.474 4.199 20 0 HIADMM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000446982392 870876934 /nfs/dbraw/zinc/87/69/34/870876934.db2.gz YKYYEJBDRBCRSU-IBGZPJMESA-N -1 1 422.550 4.499 20 0 HIADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000446986863 870879769 /nfs/dbraw/zinc/87/97/69/870879769.db2.gz LYUUOGKKMDJGIR-UHFFFAOYSA-N -1 1 424.238 4.069 20 0 HIADMM CCc1cc(=O)[n-]c(SCC2CCC(CSc3nc(CC)cc(=O)[nH]3)CC2)n1 ZINC000447309531 871203710 /nfs/dbraw/zinc/20/37/10/871203710.db2.gz OOACLVUGFXNFJA-UHFFFAOYSA-N -1 1 420.604 4.493 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C(C)C)c3ccccc32)c1 ZINC000447318535 871209425 /nfs/dbraw/zinc/20/94/25/871209425.db2.gz SLABEHDMDQQSNV-IBGZPJMESA-N -1 1 405.454 4.341 20 0 HIADMM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000447342935 871241949 /nfs/dbraw/zinc/24/19/49/871241949.db2.gz LINDMDKNRPOMJC-ZDUSSCGKSA-N -1 1 418.902 4.267 20 0 HIADMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1cccc2cn[nH]c21 ZINC000447633642 871545906 /nfs/dbraw/zinc/54/59/06/871545906.db2.gz DABSGFRMVDRPFT-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2cc[nH]c2c1 ZINC000447648172 871571476 /nfs/dbraw/zinc/57/14/76/871571476.db2.gz JJVCGTBQLVHJAM-UHFFFAOYSA-N -1 1 423.469 4.289 20 0 HIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000447779515 871709037 /nfs/dbraw/zinc/70/90/37/871709037.db2.gz UOSQNWDTCSGEBG-UHFFFAOYSA-N -1 1 404.385 4.240 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1C ZINC000447781611 871711858 /nfs/dbraw/zinc/71/18/58/871711858.db2.gz ZDQILFKLJOJXIH-UHFFFAOYSA-N -1 1 419.400 4.095 20 0 HIADMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)c2)n[nH]1 ZINC000447790309 871725101 /nfs/dbraw/zinc/72/51/01/871725101.db2.gz XDGLWBNNSKIIIB-UHFFFAOYSA-N -1 1 414.384 4.047 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000447865100 871789516 /nfs/dbraw/zinc/78/95/16/871789516.db2.gz JAYTYLZMBAWUMU-NRFANRHFSA-N -1 1 408.477 4.090 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000448052664 871882848 /nfs/dbraw/zinc/88/28/48/871882848.db2.gz DSUXABXJIZMGIU-UHFFFAOYSA-N -1 1 408.479 4.332 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)c1 ZINC000448123948 871993033 /nfs/dbraw/zinc/99/30/33/871993033.db2.gz GQYBEMBLHDIVMO-UHFFFAOYSA-N -1 1 401.406 4.330 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)c1 ZINC000448132049 872006717 /nfs/dbraw/zinc/00/67/17/872006717.db2.gz GBYGIIIMLIVGQU-UHFFFAOYSA-N -1 1 402.516 4.373 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)ccc1C ZINC000448131866 872006806 /nfs/dbraw/zinc/00/68/06/872006806.db2.gz CBRDIHUTDKROQY-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CC(C)c1ncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000448343562 872289253 /nfs/dbraw/zinc/28/92/53/872289253.db2.gz VUOCTFRBRCRMNE-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM COc1cc(C(=O)N(C)Cc2cc(Br)ccc2F)cc(Cl)c1[O-] ZINC000460182751 872745515 /nfs/dbraw/zinc/74/55/15/872745515.db2.gz GUDGGNIPSFLCGK-UHFFFAOYSA-N -1 1 402.647 4.228 20 0 HIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460437056 873104946 /nfs/dbraw/zinc/10/49/46/873104946.db2.gz NIUPINMJEKMMEK-UHFFFAOYSA-N -1 1 414.449 4.211 20 0 HIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC000460439019 873107090 /nfs/dbraw/zinc/10/70/90/873107090.db2.gz WOVFMLMDBLHLHX-UHFFFAOYSA-N -1 1 420.437 4.243 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(SCCC(=O)[O-])c1 ZINC000460442397 873110443 /nfs/dbraw/zinc/11/04/43/873110443.db2.gz DZFIBAQGRRKMFA-UHFFFAOYSA-N -1 1 403.884 4.155 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)cc1F ZINC000460445447 873116193 /nfs/dbraw/zinc/11/61/93/873116193.db2.gz HQWQXZITMFOIHF-UHFFFAOYSA-N -1 1 411.401 4.432 20 0 HIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)N2CCc3sccc3C2)nc1-c1ccccc1 ZINC000460451622 873127688 /nfs/dbraw/zinc/12/76/88/873127688.db2.gz VBPWYPMDYMHWLY-CQSZACIVSA-N -1 1 411.552 4.285 20 0 HIADMM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)cc1 ZINC000460582576 873317860 /nfs/dbraw/zinc/31/78/60/873317860.db2.gz CUUJSZLWZNFMAX-HNJNHCNJSA-N -1 1 424.950 4.137 20 0 HIADMM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460822592 873706796 /nfs/dbraw/zinc/70/67/96/873706796.db2.gz GUQVTPVGEXPKRZ-UHFFFAOYSA-N -1 1 403.504 4.493 20 0 HIADMM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2C)c1 ZINC000460823874 873709270 /nfs/dbraw/zinc/70/92/70/873709270.db2.gz SRDNGEXXVVYIGM-UHFFFAOYSA-N -1 1 412.467 4.063 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@H]1Cc2ccccc21 ZINC000460842025 873732083 /nfs/dbraw/zinc/73/20/83/873732083.db2.gz WWRVSXSZRYRXMO-FQEVSTJZSA-N -1 1 412.898 4.419 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)c2)cc1F ZINC000460978679 873871534 /nfs/dbraw/zinc/87/15/34/873871534.db2.gz JQJZGIPCEOILNJ-HXUWFJFHSA-N -1 1 416.518 4.196 20 0 HIADMM CC(C)c1cnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000461270014 874279281 /nfs/dbraw/zinc/27/92/81/874279281.db2.gz NIJAZQQPTHATQY-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000461341299 874351227 /nfs/dbraw/zinc/35/12/27/874351227.db2.gz UODSKTOALMBFKZ-YSIASYRMSA-N -1 1 412.555 4.494 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(Br)c1 ZINC000461342046 874352873 /nfs/dbraw/zinc/35/28/73/874352873.db2.gz RCTSZRVLOIKKDB-UHFFFAOYSA-N -1 1 416.240 4.339 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(C(C)C)CC3)c2)c1 ZINC000461412781 874430857 /nfs/dbraw/zinc/43/08/57/874430857.db2.gz HKSZEUXJSFBYEB-UHFFFAOYSA-N -1 1 400.544 4.304 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000461689890 874840600 /nfs/dbraw/zinc/84/06/00/874840600.db2.gz QSIOXDKMXLBWAH-FQEVSTJZSA-N -1 1 420.557 4.199 20 0 HIADMM CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000468820509 882876123 /nfs/dbraw/zinc/87/61/23/882876123.db2.gz DSLAVVAPFFIKCH-UHFFFAOYSA-N -1 1 402.438 4.475 20 0 HIADMM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1c(Cl)cc(F)cc1Cl ZINC000462297420 875417865 /nfs/dbraw/zinc/41/78/65/875417865.db2.gz LOWDRXHIHNXBRE-GFCCVEGCSA-N -1 1 412.216 4.213 20 0 HIADMM Cc1nc(-c2ccc(NCCCOc3ccc(Cl)cc3Cl)nc2)[n-]c(=O)c1C ZINC000462388791 875499366 /nfs/dbraw/zinc/49/93/66/875499366.db2.gz MEGSEACHZJHWGC-UHFFFAOYSA-N -1 1 419.312 5.049 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)on1 ZINC000462394250 875503962 /nfs/dbraw/zinc/50/39/62/875503962.db2.gz MXIGHVUFTJOFRQ-UHFFFAOYSA-N -1 1 421.744 4.473 20 0 HIADMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)Oc1ccc(F)cc1 ZINC000462704771 875789370 /nfs/dbraw/zinc/78/93/70/875789370.db2.gz UCJHAXGGWVENDN-SNVBAGLBSA-N -1 1 411.804 4.244 20 0 HIADMM Cc1nc(-c2ccc(N(C)Cc3cc(Br)cs3)nc2)[n-]c(=O)c1C ZINC000462784151 875838843 /nfs/dbraw/zinc/83/88/43/875838843.db2.gz CDAKMHQPUNKBPT-UHFFFAOYSA-N -1 1 405.321 4.321 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)CC(C)C)cc2)cc1OC ZINC000462941162 875964421 /nfs/dbraw/zinc/96/44/21/875964421.db2.gz PRCIWIQUHOSGKS-HNNXBMFYSA-N -1 1 420.531 4.125 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1ccoc1Cl ZINC000468926234 882988290 /nfs/dbraw/zinc/98/82/90/882988290.db2.gz IJNNSANKOURNMW-UHFFFAOYSA-N -1 1 404.875 4.006 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1c2ccccc2CC[C@H]1C(C)C ZINC000463061207 876089823 /nfs/dbraw/zinc/08/98/23/876089823.db2.gz NORLEWFQWAXSGH-WMZHIEFXSA-N -1 1 416.525 4.171 20 0 HIADMM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cnc([C@H]2CCCO2)s1 ZINC000463159383 876212296 /nfs/dbraw/zinc/21/22/96/876212296.db2.gz BNPRWBUMHKQGQY-LLVKDONJSA-N -1 1 410.286 4.339 20 0 HIADMM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cnc([C@@H]2CCCO2)s1 ZINC000463159384 876213852 /nfs/dbraw/zinc/21/38/52/876213852.db2.gz BNPRWBUMHKQGQY-NSHDSACASA-N -1 1 410.286 4.339 20 0 HIADMM COC[C@H](C)Sc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000463250691 876307622 /nfs/dbraw/zinc/30/76/22/876307622.db2.gz NQNFCQSGXLJJLE-NSHDSACASA-N -1 1 412.920 4.409 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1)C(C)=O ZINC000463505299 876566035 /nfs/dbraw/zinc/56/60/35/876566035.db2.gz CQQLIIDMNIYFCX-UHFFFAOYSA-N -1 1 412.964 4.231 20 0 HIADMM CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1)C(=O)[O-] ZINC000463780497 876900808 /nfs/dbraw/zinc/90/08/08/876900808.db2.gz FBNIQVRZVHEAPW-ZDUSSCGKSA-N -1 1 417.405 4.039 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)ccc1OC(C)C ZINC000463797293 876915193 /nfs/dbraw/zinc/91/51/93/876915193.db2.gz GRDSTCNFOQCSTP-UHFFFAOYSA-N -1 1 403.504 4.214 20 0 HIADMM CC[C@@]1(C)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)C1 ZINC000469018331 883086235 /nfs/dbraw/zinc/08/62/35/883086235.db2.gz MRDVOANZEYVASL-NRFANRHFSA-N -1 1 404.507 4.197 20 0 HIADMM O=C(NCCC1CC1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000464222052 877394043 /nfs/dbraw/zinc/39/40/43/877394043.db2.gz PSSKVDNRZOVQCR-UHFFFAOYSA-N -1 1 413.326 4.324 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CC(F)(F)F)ccc2C)c1 ZINC000464270607 877454359 /nfs/dbraw/zinc/45/43/59/877454359.db2.gz ZNKAGSSDFRKMMA-AWEZNQCLSA-N -1 1 414.449 4.175 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)CC(F)(F)F)c2)cc1F ZINC000464281496 877468910 /nfs/dbraw/zinc/46/89/10/877468910.db2.gz ZDXHCVMCQKOKJW-GFCCVEGCSA-N -1 1 418.412 4.006 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000464380215 877580540 /nfs/dbraw/zinc/58/05/40/877580540.db2.gz AXYMXTQPBBHJSG-QGZVFWFLSA-N -1 1 414.509 4.481 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@H]1c1ccccc1 ZINC000464558829 877776399 /nfs/dbraw/zinc/77/63/99/877776399.db2.gz HLVBRMOANQPKJS-VGOFRKELSA-N -1 1 406.507 4.321 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H]1c1ccccc1 ZINC000464559345 877777263 /nfs/dbraw/zinc/77/72/63/877777263.db2.gz JOIYVCBOTGBXIU-OPAMFIHVSA-N -1 1 424.497 4.460 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC(C)(C)Cc2cccc(Cl)c2)c(=O)[n-]1 ZINC000465013101 878372892 /nfs/dbraw/zinc/37/28/92/878372892.db2.gz QWTRGQBJDJCITP-UHFFFAOYSA-N -1 1 407.967 4.184 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000465090704 878455253 /nfs/dbraw/zinc/45/52/53/878455253.db2.gz NJXMAHCRUVZLGR-CALCHBBNSA-N -1 1 418.946 4.321 20 0 HIADMM Cc1ncccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000465292033 878729539 /nfs/dbraw/zinc/72/95/39/878729539.db2.gz RNFLSCMWDBMUSQ-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000465291310 878729918 /nfs/dbraw/zinc/72/99/18/878729918.db2.gz MCIWVQNNUNKCMD-APWZRJJASA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000465293151 878732010 /nfs/dbraw/zinc/73/20/10/878732010.db2.gz YDIGQNXACXDVCU-KDOFPFPSSA-N -1 1 404.507 4.196 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H]3CC)cc2)cc1 ZINC000465299055 878742113 /nfs/dbraw/zinc/74/21/13/878742113.db2.gz SBBFTKQOFPEXFP-APWZRJJASA-N -1 1 416.543 4.147 20 0 HIADMM CC(C)C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000465303858 878748477 /nfs/dbraw/zinc/74/84/77/878748477.db2.gz ZMNWOKIMPPJBEP-INIZCTEOSA-N -1 1 404.507 4.135 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](CC(C)C)C2)cc1 ZINC000465306180 878750866 /nfs/dbraw/zinc/75/08/66/878750866.db2.gz UNUXWUKIDLTKEV-KRWDZBQOSA-N -1 1 418.534 4.443 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CC(C)C)C2)cc1 ZINC000465308540 878754199 /nfs/dbraw/zinc/75/41/99/878754199.db2.gz SKDGFFXJIRLBKF-SFHVURJKSA-N -1 1 400.544 4.304 20 0 HIADMM CC[C@@H](C)C[C@H](C)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000465828517 879461396 /nfs/dbraw/zinc/46/13/96/879461396.db2.gz BIWPZXDAKCUHRE-SJORKVTESA-N -1 1 403.548 4.111 20 0 HIADMM COc1cc(NC(=O)N[C@@H](C)c2ccc3ccccc3c2)ccc1[N-]S(C)(=O)=O ZINC000503463215 912493253 /nfs/dbraw/zinc/49/32/53/912493253.db2.gz OPCZBTVLUFLCIV-AWEZNQCLSA-N -1 1 413.499 4.103 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(OC4CCCCC4)cc3)cc2oc1=O ZINC000466963063 880754408 /nfs/dbraw/zinc/75/44/08/880754408.db2.gz ZNNJALCRXUCENR-UHFFFAOYSA-N -1 1 416.499 4.127 20 0 HIADMM CC[C@H]1Oc2cc([C@@H](C)Nc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)ccc2NC1=O ZINC000467005303 880813807 /nfs/dbraw/zinc/81/38/07/880813807.db2.gz MTJVBARQPQARCM-RDTXWAMCSA-N -1 1 419.485 4.144 20 0 HIADMM CC[C@@H]1Oc2cc([C@H](C)Nc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)ccc2NC1=O ZINC000467005302 880814078 /nfs/dbraw/zinc/81/40/78/880814078.db2.gz MTJVBARQPQARCM-KSSFIOAISA-N -1 1 419.485 4.144 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)cc1 ZINC000467077211 880852276 /nfs/dbraw/zinc/85/22/76/880852276.db2.gz ZQYSLPVFIUTDRS-UHFFFAOYSA-N -1 1 419.543 4.406 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)NCC2(c3ccccc3)CC2)nc1-c1ccccc1 ZINC000467203568 880933023 /nfs/dbraw/zinc/93/30/23/880933023.db2.gz AEYMOIFSAIJJQH-UHFFFAOYSA-N -1 1 405.523 4.098 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)N(CC(C)C)CC(F)(F)F)nc1-c1ccccc1 ZINC000467207824 880937304 /nfs/dbraw/zinc/93/73/04/880937304.db2.gz PXUAMAFDZIDPAK-UHFFFAOYSA-N -1 1 413.465 4.297 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@]3(C)CCCS3)cc2)c1C ZINC000467320920 881068543 /nfs/dbraw/zinc/06/85/43/881068543.db2.gz HWQOMVYIQHJFJY-NRFANRHFSA-N -1 1 418.584 4.120 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)CNc2ccccc2)cc1 ZINC000467500347 881315880 /nfs/dbraw/zinc/31/58/80/881315880.db2.gz CXYYXTFVNXRTMV-GOSISDBHSA-N -1 1 423.538 4.026 20 0 HIADMM Cc1sccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000469162510 883258333 /nfs/dbraw/zinc/25/83/33/883258333.db2.gz ZCVRTQTZEFSUHV-UHFFFAOYSA-N -1 1 400.525 4.347 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@H](C)CC(F)(F)F)c1 ZINC000469278527 883376175 /nfs/dbraw/zinc/37/61/75/883376175.db2.gz RXPVTNSBEKSMMQ-GFCCVEGCSA-N -1 1 418.412 4.006 20 0 HIADMM O=C(Nc1cc(F)ccc1O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469897337 884087939 /nfs/dbraw/zinc/08/79/39/884087939.db2.gz MCWGNGJQFJAUNI-UHFFFAOYSA-N -1 1 411.614 4.041 20 0 HIADMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1)C(F)(F)F ZINC000469915332 884105120 /nfs/dbraw/zinc/10/51/20/884105120.db2.gz GDRXGLZWEFSVLA-INIZCTEOSA-N -1 1 418.412 4.006 20 0 HIADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)[nH]n1 ZINC000469993763 884210225 /nfs/dbraw/zinc/21/02/25/884210225.db2.gz WCVXIRQFKKZPRT-UHFFFAOYSA-N -1 1 412.231 4.115 20 0 HIADMM CC[C@H]1CN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC[C@H]1c1ccccc1 ZINC000470193141 884496848 /nfs/dbraw/zinc/49/68/48/884496848.db2.gz IRXGGRPUARXIGT-GHTZIAJQSA-N -1 1 406.530 4.027 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1ccc(Br)cc1Cl ZINC000470452857 884848942 /nfs/dbraw/zinc/84/89/42/884848942.db2.gz RFHAAIKCMYPZRS-UHFFFAOYSA-N -1 1 414.712 4.206 20 0 HIADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)c2=O ZINC000470602490 885029371 /nfs/dbraw/zinc/02/93/71/885029371.db2.gz ZBZJVEYVDICHPU-MRXNPFEDSA-N -1 1 404.392 4.060 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc3nnc(C(C)(C)C)n3c2)c1 ZINC000470640392 885065585 /nfs/dbraw/zinc/06/55/85/885065585.db2.gz AWFWKSIPYXNLEX-UHFFFAOYSA-N -1 1 403.280 4.056 20 0 HIADMM O=S(=O)([N-]CCc1nc2ccccc2s1)c1c(Cl)cccc1C(F)(F)F ZINC000470773930 885241070 /nfs/dbraw/zinc/24/10/70/885241070.db2.gz QIRDTCDTBDVQSX-UHFFFAOYSA-N -1 1 420.865 4.490 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cc(O)cc(OC)c3)cc2)cc1 ZINC000504027525 912931221 /nfs/dbraw/zinc/93/12/21/912931221.db2.gz XROTWCPLMHGWTH-UHFFFAOYSA-N -1 1 401.440 4.003 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c(Cl)cc1F ZINC000471132561 885670712 /nfs/dbraw/zinc/67/07/12/885670712.db2.gz XPSUMXXTJPMAPA-UHFFFAOYSA-N -1 1 414.955 4.450 20 0 HIADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Cl)cc1I ZINC000471206674 885777749 /nfs/dbraw/zinc/77/77/49/885777749.db2.gz GRNUNKLWKUXPAB-UHFFFAOYSA-N -1 1 413.689 4.115 20 0 HIADMM COCCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCCC1 ZINC000471232798 885806189 /nfs/dbraw/zinc/80/61/89/885806189.db2.gz CQXFMMXBJUGXBC-UHFFFAOYSA-N -1 1 402.516 4.023 20 0 HIADMM COc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000471467053 886154112 /nfs/dbraw/zinc/15/41/12/886154112.db2.gz HYRSCDRROKLBMP-QGZVFWFLSA-N -1 1 403.548 4.057 20 0 HIADMM CS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ccc1Cl ZINC000471590602 886302071 /nfs/dbraw/zinc/30/20/71/886302071.db2.gz XONMVYKNQXWHAG-UHFFFAOYSA-N -1 1 421.927 4.211 20 0 HIADMM CN(C)c1cccc(CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000471741502 886464494 /nfs/dbraw/zinc/46/44/94/886464494.db2.gz NFPUVJHXJOSRAT-UHFFFAOYSA-N -1 1 423.538 4.125 20 0 HIADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000471991943 886818345 /nfs/dbraw/zinc/81/83/45/886818345.db2.gz LPRNDAQNRMPTML-UHFFFAOYSA-N -1 1 413.524 4.165 20 0 HIADMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000472067322 886874665 /nfs/dbraw/zinc/87/46/65/886874665.db2.gz FXBNNQGZKCEKPC-QFIPXVFZSA-N -1 1 423.538 4.193 20 0 HIADMM Cc1ccc(NC(=O)c2ccncc2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000472229567 887035969 /nfs/dbraw/zinc/03/59/69/887035969.db2.gz LXDDZDUSVHYRPY-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000472245649 887056602 /nfs/dbraw/zinc/05/66/02/887056602.db2.gz CLLYTSYHSMQSPA-OXQOHEQNSA-N -1 1 416.518 4.340 20 0 HIADMM COc1ccc(F)c(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)c1OC ZINC000472557779 887443149 /nfs/dbraw/zinc/44/31/49/887443149.db2.gz BSNXHWHXJORWCJ-UHFFFAOYSA-N -1 1 405.476 4.336 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCCC2(CC2)C1 ZINC000472754040 887598742 /nfs/dbraw/zinc/59/87/42/887598742.db2.gz RFRGGHNZXOVICN-UHFFFAOYSA-N -1 1 404.919 4.157 20 0 HIADMM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000473015228 887841959 /nfs/dbraw/zinc/84/19/59/887841959.db2.gz MHYWQAKMVDVRLU-OCCSQVGLSA-N -1 1 406.276 4.223 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCCC2(CCC2)C1 ZINC000473336029 888071983 /nfs/dbraw/zinc/07/19/83/888071983.db2.gz PQTPEIJPNCNPRW-UHFFFAOYSA-N -1 1 402.491 4.033 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)sc1Cl ZINC000473478782 888202452 /nfs/dbraw/zinc/20/24/52/888202452.db2.gz HNBMYGAZXFOZHO-UHFFFAOYSA-N -1 1 404.904 4.449 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000473663625 888417177 /nfs/dbraw/zinc/41/71/77/888417177.db2.gz XBZMFRXDTSSCTG-PXNSSMCTSA-N -1 1 420.488 4.077 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473663631 888417326 /nfs/dbraw/zinc/41/73/26/888417326.db2.gz XBZMFRXDTSSCTG-YLJYHZDGSA-N -1 1 420.488 4.077 20 0 HIADMM COc1ccc(NC(=O)N[C@H](C)c2cc3ccccc3s2)cc1[N-]S(C)(=O)=O ZINC000504475490 913272471 /nfs/dbraw/zinc/27/24/71/913272471.db2.gz ORBGPFBGDLZMPW-GFCCVEGCSA-N -1 1 419.528 4.164 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473952053 888826433 /nfs/dbraw/zinc/82/64/33/888826433.db2.gz VGUKVHVTWUYBER-GXTWGEPZSA-N -1 1 422.280 4.470 20 0 HIADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000474077338 888904525 /nfs/dbraw/zinc/90/45/25/888904525.db2.gz FTTZECKVJWZHCF-ACJLOTCBSA-N -1 1 410.923 4.140 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000474285469 889152652 /nfs/dbraw/zinc/15/26/52/889152652.db2.gz ABWUHRWZJYDISE-UHFFFAOYSA-N -1 1 410.449 4.045 20 0 HIADMM COc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1OCc1ccncc1 ZINC000474337382 889210962 /nfs/dbraw/zinc/21/09/62/889210962.db2.gz OUYNJCCQUDFKFA-UHFFFAOYSA-N -1 1 422.485 4.023 20 0 HIADMM CCOc1cc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1OC(F)F ZINC000474502107 889364832 /nfs/dbraw/zinc/36/48/32/889364832.db2.gz YLTYKMQAQJCAQB-UHFFFAOYSA-N -1 1 423.460 4.060 20 0 HIADMM Cc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1NC(=O)c1ccco1 ZINC000474540650 889416364 /nfs/dbraw/zinc/41/63/64/889416364.db2.gz HXXUNBVMKOBMJL-UHFFFAOYSA-N -1 1 408.458 4.194 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)cc1[N-]S(C)(=O)=O ZINC000474622537 889486093 /nfs/dbraw/zinc/48/60/93/889486093.db2.gz WHXOBVWJEGYCOY-LJQANCHMSA-N -1 1 417.531 4.053 20 0 HIADMM CC(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)CCC2 ZINC000474669657 889533780 /nfs/dbraw/zinc/53/37/80/889533780.db2.gz DVVYGKGYGKTJOG-UHFFFAOYSA-N -1 1 424.526 4.006 20 0 HIADMM COc1cccc(Cc2nnc([N-]C(=O)c3cc(-c4ccc(F)cc4)on3)s2)c1 ZINC000474687631 889549590 /nfs/dbraw/zinc/54/95/90/889549590.db2.gz GLQPXQIAELBSMF-UHFFFAOYSA-N -1 1 410.430 4.184 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000475007434 889860878 /nfs/dbraw/zinc/86/08/78/889860878.db2.gz DABKWNJBLBYTQL-UHFFFAOYSA-N -1 1 417.437 4.213 20 0 HIADMM CC(C)CN(C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(C)C ZINC000475323011 890242336 /nfs/dbraw/zinc/24/23/36/890242336.db2.gz ABHVGMPRKYUWNC-UHFFFAOYSA-N -1 1 421.538 4.203 20 0 HIADMM C[C@@H](C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000475336793 890256441 /nfs/dbraw/zinc/25/64/41/890256441.db2.gz JUOLIHVNARXUND-GOSISDBHSA-N -1 1 408.523 4.250 20 0 HIADMM COC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CCCCC1 ZINC000475403137 890332623 /nfs/dbraw/zinc/33/26/23/890332623.db2.gz HKGLPTSHKAFIOH-UHFFFAOYSA-N -1 1 424.469 4.053 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cccc1NC(=O)N(C)C ZINC000475816035 890750689 /nfs/dbraw/zinc/75/06/89/890750689.db2.gz LPJRSPPOQPAFPX-UHFFFAOYSA-N -1 1 419.400 4.047 20 0 HIADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c1 ZINC000475824980 890759589 /nfs/dbraw/zinc/75/95/89/890759589.db2.gz DWEQGEWLOGMJIW-UHFFFAOYSA-N -1 1 414.458 4.174 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2Cl)ccc1[O-] ZINC000475837073 890770048 /nfs/dbraw/zinc/77/00/48/890770048.db2.gz VLKZADSNULSLJV-UHFFFAOYSA-N -1 1 416.886 4.472 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000475839203 890772668 /nfs/dbraw/zinc/77/26/68/890772668.db2.gz YVEBWFPOMLFVBP-UHFFFAOYSA-N -1 1 409.332 4.138 20 0 HIADMM CCSc1nnc([N-]C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)s1 ZINC000476151693 891076084 /nfs/dbraw/zinc/07/60/84/891076084.db2.gz LASCVUNWXCFQBO-UHFFFAOYSA-N -1 1 415.331 4.098 20 0 HIADMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1csc(-c2cnccn2)n1 ZINC000476151941 891076808 /nfs/dbraw/zinc/07/68/08/891076808.db2.gz LERSQVPXLOTRSP-UHFFFAOYSA-N -1 1 424.555 4.172 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1 ZINC000476251095 891175105 /nfs/dbraw/zinc/17/51/05/891175105.db2.gz PEBRZYKXTVFCBQ-UHFFFAOYSA-N -1 1 414.449 4.297 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)cc1 ZINC000476385481 891299523 /nfs/dbraw/zinc/29/95/23/891299523.db2.gz JUELPOMBQIBHCC-UHFFFAOYSA-N -1 1 404.532 4.459 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Br)c2C)c1 ZINC000476397154 891313358 /nfs/dbraw/zinc/31/33/58/891313358.db2.gz AQJQNBHHMGWCCE-UHFFFAOYSA-N -1 1 411.321 4.297 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC(C)C)c(C)c1 ZINC000476422230 891334733 /nfs/dbraw/zinc/33/47/33/891334733.db2.gz JMVGHENWMSIGHO-UHFFFAOYSA-N -1 1 414.449 4.261 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)c(O)c3)cc2)cc1C ZINC000476432079 891343679 /nfs/dbraw/zinc/34/36/79/891343679.db2.gz DDDAJPSSPXQTKL-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])C2 ZINC000476489109 891398017 /nfs/dbraw/zinc/39/80/17/891398017.db2.gz ZTDOWXKKCQMVKX-VIFPVBQESA-N -1 1 412.715 4.398 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1F ZINC000476517712 891431227 /nfs/dbraw/zinc/43/12/27/891431227.db2.gz UVSARTSTJQPKHQ-UHFFFAOYSA-N -1 1 402.447 4.137 20 0 HIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@H]1c1ccncc1 ZINC000476652043 891594605 /nfs/dbraw/zinc/59/46/05/891594605.db2.gz JRMPUTYUBONAIV-NRFANRHFSA-N -1 1 421.522 4.106 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3cc(F)ccc32)cc1 ZINC000476789948 891770929 /nfs/dbraw/zinc/77/09/29/891770929.db2.gz VNGDGERVGVBGOM-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM COc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc(Cl)c1[O-] ZINC000476843372 891817626 /nfs/dbraw/zinc/81/76/26/891817626.db2.gz BBATUIZZVCUKOD-LBPRGKRZSA-N -1 1 415.704 4.370 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC[C@@H](C)C3)c2)cc1 ZINC000476845945 891820004 /nfs/dbraw/zinc/82/00/04/891820004.db2.gz JVOQIZGZEWMRFJ-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H](C)C3)cc2)ccc1F ZINC000476849071 891821630 /nfs/dbraw/zinc/82/16/30/891821630.db2.gz MSMADJDORSNMPQ-HNNXBMFYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3scnc3C3CC3)cc2)cc1 ZINC000477030978 891956796 /nfs/dbraw/zinc/95/67/96/891956796.db2.gz WZWTVKGZUROAJY-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)[nH]n1 ZINC000477244359 892191751 /nfs/dbraw/zinc/19/17/51/892191751.db2.gz RKCTWSIXPZNXPH-CYBMUJFWSA-N -1 1 400.504 4.226 20 0 HIADMM Cc1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000477321397 892285890 /nfs/dbraw/zinc/28/58/90/892285890.db2.gz MODJMOMWRJHJGI-UHFFFAOYSA-N -1 1 424.526 4.360 20 0 HIADMM O=C(COC/C=C\c1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000477332383 892300326 /nfs/dbraw/zinc/30/03/26/892300326.db2.gz QFBPSHVZMCMBMC-FLIBITNWSA-N -1 1 422.506 4.156 20 0 HIADMM Cc1ccc(NC(=O)c2ccn(C)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000477496996 892499056 /nfs/dbraw/zinc/49/90/56/892499056.db2.gz ZQLNOKZRMHYCKW-UHFFFAOYSA-N -1 1 403.891 4.040 20 0 HIADMM Cc1nc(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cs1 ZINC000477685152 892809496 /nfs/dbraw/zinc/80/94/96/892809496.db2.gz CNMWQZQIUNQUDF-UHFFFAOYSA-N -1 1 419.528 4.041 20 0 HIADMM Cc1nc(-c2ccccc2NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cs1 ZINC000477713416 892822952 /nfs/dbraw/zinc/82/29/52/892822952.db2.gz DMPJSVWLKCRPRL-UHFFFAOYSA-N -1 1 417.494 4.166 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2-c2csc(C)n2)c(=O)[n-]1 ZINC000477714736 892823516 /nfs/dbraw/zinc/82/35/16/892823516.db2.gz GVLBITRVTFJHTC-UHFFFAOYSA-N -1 1 400.529 4.216 20 0 HIADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000477836021 892897496 /nfs/dbraw/zinc/89/74/96/892897496.db2.gz COLZRVPDXFRSJO-KCXAZCMYSA-N -1 1 405.292 4.322 20 0 HIADMM Cc1ccncc1CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000477884469 892948852 /nfs/dbraw/zinc/94/88/52/892948852.db2.gz FEIXNTXURLRKCE-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM COC1(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCC1 ZINC000478248443 893419515 /nfs/dbraw/zinc/41/95/15/893419515.db2.gz HSAUPEDKTOETMO-UHFFFAOYSA-N -1 1 402.516 4.002 20 0 HIADMM CCN(CC1CCC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000478335213 893569632 /nfs/dbraw/zinc/56/96/32/893569632.db2.gz WIEHCJGKZXTJLM-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CCOc1cc(C(=O)N[C@H](CO)c2c(Cl)cccc2Cl)cc(Cl)c1[O-] ZINC000478459498 893779723 /nfs/dbraw/zinc/77/97/23/893779723.db2.gz MUPASFHYXAZNBS-CYBMUJFWSA-N -1 1 404.677 4.215 20 0 HIADMM COCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000478522145 893828329 /nfs/dbraw/zinc/82/83/29/893828329.db2.gz VTAAZHUBHNDKNU-UHFFFAOYSA-N -1 1 410.923 4.204 20 0 HIADMM C[C@H](CN(C)C(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)c1nn[n-]n1 ZINC000478578285 893857014 /nfs/dbraw/zinc/85/70/14/893857014.db2.gz ALOMTBPMQCBIAW-SNVBAGLBSA-N -1 1 408.264 4.188 20 0 HIADMM C[C@H](CN(C)C(=O)c1c(Cl)cccc1Oc1ccccc1Cl)c1nn[n-]n1 ZINC000478599102 893866773 /nfs/dbraw/zinc/86/67/73/893866773.db2.gz VXTMVMFVLLACSV-LLVKDONJSA-N -1 1 406.273 4.175 20 0 HIADMM C[C@@H](CN(C)C(=O)c1oc2ccccc2c1CSCc1ccccc1)c1nn[n-]n1 ZINC000478600696 893867730 /nfs/dbraw/zinc/86/77/30/893867730.db2.gz ZJFWOQQNKAXGSR-HNNXBMFYSA-N -1 1 421.526 4.255 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cnc(C(C)C)nc3)cc2)c1 ZINC000478674230 893924858 /nfs/dbraw/zinc/92/48/58/893924858.db2.gz SQEMNOXXJWNUKP-UHFFFAOYSA-N -1 1 424.526 4.270 20 0 HIADMM CC[C@H](C)n1ncc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000478694146 893954080 /nfs/dbraw/zinc/95/40/80/893954080.db2.gz QXCWUZMHVHICAX-HNNXBMFYSA-N -1 1 412.515 4.216 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000505135053 913835974 /nfs/dbraw/zinc/83/59/74/913835974.db2.gz IMUYZRZIQRYWQF-OAHLLOKOSA-N -1 1 422.554 4.061 20 0 HIADMM Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000505150520 913844603 /nfs/dbraw/zinc/84/46/03/913844603.db2.gz IRLPSDZFFMRTIX-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM CCOc1cc(C(=O)N2CCC(N3CCc4ccccc43)CC2)cc(Cl)c1[O-] ZINC000505156597 913847931 /nfs/dbraw/zinc/84/79/31/913847931.db2.gz LCRBUCDHRJODJA-UHFFFAOYSA-N -1 1 400.906 4.112 20 0 HIADMM CSCCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000479024364 894288982 /nfs/dbraw/zinc/28/89/82/894288982.db2.gz GVKQZDXHFSBANL-UHFFFAOYSA-N -1 1 406.573 4.059 20 0 HIADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000479127748 894395757 /nfs/dbraw/zinc/39/57/57/894395757.db2.gz FIRMVISODXMMQI-UHFFFAOYSA-N -1 1 417.437 4.469 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)cnc1N1CCCC[C@H]1C ZINC000479135469 894403727 /nfs/dbraw/zinc/40/37/27/894403727.db2.gz HYLMRIXGVLEWFR-CQSZACIVSA-N -1 1 402.545 4.179 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1Br)c1cnn(-c2ccccc2)c1 ZINC000479139119 894408640 /nfs/dbraw/zinc/40/86/40/894408640.db2.gz ZTOHMBLJSOMITC-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000479184996 894453371 /nfs/dbraw/zinc/45/33/71/894453371.db2.gz OBCSVJFCAVXVGM-UHFFFAOYSA-N -1 1 417.405 4.079 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)cc1 ZINC000479268913 894542387 /nfs/dbraw/zinc/54/23/87/894542387.db2.gz AJJFIAFEMQJBOR-UHFFFAOYSA-N -1 1 406.511 4.396 20 0 HIADMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2s1 ZINC000479272860 894546239 /nfs/dbraw/zinc/54/62/39/894546239.db2.gz DVHGGUINRRFLDQ-UHFFFAOYSA-N -1 1 418.931 4.304 20 0 HIADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000479392374 894695792 /nfs/dbraw/zinc/69/57/92/894695792.db2.gz LNFCTEOBRDKABT-BFUOFWGJSA-N -1 1 408.470 4.026 20 0 HIADMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1 ZINC000479443364 894759658 /nfs/dbraw/zinc/75/96/58/894759658.db2.gz VMOYIFOMECUVED-UHFFFAOYSA-N -1 1 422.547 4.116 20 0 HIADMM CC(C)(C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])C1CC1 ZINC000479444606 894761288 /nfs/dbraw/zinc/76/12/88/894761288.db2.gz SONJJARBQJXDEW-UHFFFAOYSA-N -1 1 408.907 4.221 20 0 HIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000479473092 894795995 /nfs/dbraw/zinc/79/59/95/894795995.db2.gz XXPVTBPZLHXEEZ-UHFFFAOYSA-N -1 1 406.813 4.297 20 0 HIADMM O=C(NCc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479525037 894834155 /nfs/dbraw/zinc/83/41/55/894834155.db2.gz JEDFLXPDUMTMKN-UHFFFAOYSA-N -1 1 423.519 4.027 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000479551110 894850164 /nfs/dbraw/zinc/85/01/64/894850164.db2.gz LALAZYFUDZXFKL-UHFFFAOYSA-N -1 1 404.919 4.138 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc2N1CC1CC1 ZINC000479565211 894861685 /nfs/dbraw/zinc/86/16/85/894861685.db2.gz SHIXLKMGOHOORO-UHFFFAOYSA-N -1 1 406.507 4.330 20 0 HIADMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccc(-c2ncc[nH]2)cc1 ZINC000479606357 894882282 /nfs/dbraw/zinc/88/22/82/894882282.db2.gz ZFZDYCNSKYJMMA-UHFFFAOYSA-N -1 1 410.268 4.088 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000479784953 895087906 /nfs/dbraw/zinc/08/79/06/895087906.db2.gz YCMDKVHZKXDSRK-GOSISDBHSA-N -1 1 406.530 4.001 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccco2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000479849806 895182091 /nfs/dbraw/zinc/18/20/91/895182091.db2.gz SCXAKZDGUAPDDW-UHFFFAOYSA-N -1 1 404.875 4.223 20 0 HIADMM O=S(=O)([N-]c1ncccc1F)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000480077970 895430682 /nfs/dbraw/zinc/43/06/82/895430682.db2.gz QHLSEDIMVTWKQD-UHFFFAOYSA-N -1 1 407.264 4.451 20 0 HIADMM CC(C)[C@@H]1N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1(C)C ZINC000480488240 895862404 /nfs/dbraw/zinc/86/24/04/895862404.db2.gz HYOYXDJFCYYREV-IBGZPJMESA-N -1 1 404.507 4.133 20 0 HIADMM CC[C@H](CN(CC)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)c1ccccc1 ZINC000480590023 895952977 /nfs/dbraw/zinc/95/29/77/895952977.db2.gz OUFIIMXLEGJAHU-MRXNPFEDSA-N -1 1 419.547 4.114 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000480624307 895992813 /nfs/dbraw/zinc/99/28/13/895992813.db2.gz KCFMCZMGPHKELJ-UHFFFAOYSA-N -1 1 416.261 4.238 20 0 HIADMM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)CC2 ZINC000480864538 896227781 /nfs/dbraw/zinc/22/77/81/896227781.db2.gz NRLQHKLONMDLQF-LBPRGKRZSA-N -1 1 422.765 4.260 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)[C@@H]1C ZINC000480938884 896288216 /nfs/dbraw/zinc/28/82/16/896288216.db2.gz RVSWYXNMTNJSQX-CHWSQXEVSA-N -1 1 410.898 4.150 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3csc4cc(C)ccc34)c2)n1 ZINC000481157326 896490938 /nfs/dbraw/zinc/49/09/38/896490938.db2.gz PNBQAQKBZKYPHQ-UHFFFAOYSA-N -1 1 420.494 4.102 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc3c[nH]nc3cc2C)cc1 ZINC000481311627 896658697 /nfs/dbraw/zinc/65/86/97/896658697.db2.gz WHQIPYLWMSJIML-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc(F)cc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000481326965 896683376 /nfs/dbraw/zinc/68/33/76/896683376.db2.gz XPRUDHUAKXTLGH-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])cc1 ZINC000481769208 897155365 /nfs/dbraw/zinc/15/53/65/897155365.db2.gz KFNHSEJEUBOGJI-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1Cl ZINC000481965676 897354943 /nfs/dbraw/zinc/35/49/43/897354943.db2.gz UXNYDOKWWTWWNM-UHFFFAOYSA-N -1 1 417.874 4.287 20 0 HIADMM Cc1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c(F)cc1F ZINC000482124286 897581216 /nfs/dbraw/zinc/58/12/16/897581216.db2.gz VIYPBLUPRYLWLJ-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CCN(Cc1cccc(Br)c1)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000482364396 897883865 /nfs/dbraw/zinc/88/38/65/897883865.db2.gz JFTOQKHJHLQKAM-UHFFFAOYSA-N -1 1 400.276 4.069 20 0 HIADMM CCN(Cc1cccc(Br)c1)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000482364396 897883867 /nfs/dbraw/zinc/88/38/67/897883867.db2.gz JFTOQKHJHLQKAM-UHFFFAOYSA-N -1 1 400.276 4.069 20 0 HIADMM COc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1OC(F)F ZINC000482546380 898134823 /nfs/dbraw/zinc/13/48/23/898134823.db2.gz BJWNVILIJPNDQX-UHFFFAOYSA-N -1 1 402.191 4.325 20 0 HIADMM COC(C)(C)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000482559102 898151125 /nfs/dbraw/zinc/15/11/25/898151125.db2.gz RBBXIJVALWMWNC-UHFFFAOYSA-N -1 1 407.879 4.072 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(OCC(F)(F)F)n2)c1 ZINC000482600230 898201278 /nfs/dbraw/zinc/20/12/78/898201278.db2.gz GYDAPHHGDCMOPU-UHFFFAOYSA-N -1 1 405.170 4.052 20 0 HIADMM CC(C)n1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000482813625 898423380 /nfs/dbraw/zinc/42/33/80/898423380.db2.gz HSQGADDDEJCJLG-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM Cc1c2ccccc2oc1[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(C)C ZINC000482879903 898494163 /nfs/dbraw/zinc/49/41/63/898494163.db2.gz IVEACMNXDYFBQX-JOCHJYFZSA-N -1 1 406.486 4.162 20 0 HIADMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)cc1 ZINC000483187912 898847619 /nfs/dbraw/zinc/84/76/19/898847619.db2.gz FHEFTTHQRKREJK-UHFFFAOYSA-N -1 1 420.506 4.178 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3N(C)C)ccc2C)c1 ZINC000505666264 914364758 /nfs/dbraw/zinc/36/47/58/914364758.db2.gz WVFSYBCQTBWWPY-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3Nc3ccc(F)cc3F)cc2o1 ZINC000484128720 899750326 /nfs/dbraw/zinc/75/03/26/899750326.db2.gz GMDNDHXQRBGDSI-UHFFFAOYSA-N -1 1 417.393 4.356 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc(OC)c1C(C)C ZINC000484169290 899787829 /nfs/dbraw/zinc/78/78/29/899787829.db2.gz XYTUQXOQHVNXQP-UHFFFAOYSA-N -1 1 405.516 4.467 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C(F)F)CC3)c2)c1 ZINC000484743116 900166987 /nfs/dbraw/zinc/16/69/87/900166987.db2.gz SQOJMCMGCGWILJ-UHFFFAOYSA-N -1 1 422.497 4.222 20 0 HIADMM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000484974149 900332676 /nfs/dbraw/zinc/33/26/76/900332676.db2.gz OBCPLTBFZNSRGN-NSHDSACASA-N -1 1 422.432 4.439 20 0 HIADMM COc1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000485083333 900397910 /nfs/dbraw/zinc/39/79/10/900397910.db2.gz AUXXNPXTPQQDOS-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485395683 900691902 /nfs/dbraw/zinc/69/19/02/900691902.db2.gz GWGCWGMALODHCW-UHFFFAOYSA-N -1 1 401.463 4.479 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc(Cl)ccc1Br ZINC000485403199 900700435 /nfs/dbraw/zinc/70/04/35/900700435.db2.gz JOXUHCYVAONEPD-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000485406055 900705621 /nfs/dbraw/zinc/70/56/21/900705621.db2.gz NDWQETFOSLZWEE-UHFFFAOYSA-N -1 1 422.297 4.071 20 0 HIADMM CCN(CCc1nccs1)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000485429918 900726443 /nfs/dbraw/zinc/72/64/43/900726443.db2.gz TZFNDHGCXLSCKF-UHFFFAOYSA-N -1 1 414.531 4.312 20 0 HIADMM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000485595271 900857378 /nfs/dbraw/zinc/85/73/78/900857378.db2.gz CPXQQGCXAUOQMC-IBGZPJMESA-N -1 1 406.548 4.134 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCc2c1cc(F)cc2F ZINC000485803069 901053604 /nfs/dbraw/zinc/05/36/04/901053604.db2.gz CYBIBIISXROPPM-UHFFFAOYSA-N -1 1 405.198 4.184 20 0 HIADMM CC(C)c1c([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cnn1-c1ccccc1 ZINC000486075294 901266423 /nfs/dbraw/zinc/26/64/23/901266423.db2.gz BCPAPLJOJJYYLN-AOMKIAJQSA-N -1 1 415.559 4.133 20 0 HIADMM CSc1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1 ZINC000486093740 901281615 /nfs/dbraw/zinc/28/16/15/901281615.db2.gz SGCNWRTYZHFHDR-UHFFFAOYSA-N -1 1 421.418 4.115 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2)c(OC(F)(F)F)c1 ZINC000486098680 901285286 /nfs/dbraw/zinc/28/52/86/901285286.db2.gz VOWGQRLVWAVNHT-UHFFFAOYSA-N -1 1 411.304 4.022 20 0 HIADMM CSc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1C ZINC000486097227 901286178 /nfs/dbraw/zinc/28/61/78/901286178.db2.gz XYZYCMGLGMSGEJ-UHFFFAOYSA-N -1 1 421.418 4.115 20 0 HIADMM O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)Nc1ccc([O-])c(Cl)c1 ZINC000486143952 901331905 /nfs/dbraw/zinc/33/19/05/901331905.db2.gz NCQGJDRKICWMDE-UHFFFAOYSA-N -1 1 404.879 4.136 20 0 HIADMM CC1(C)CC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)O1 ZINC000486339099 901514886 /nfs/dbraw/zinc/51/48/86/901514886.db2.gz BKKYXDTVHSQWCZ-QGZVFWFLSA-N -1 1 408.907 4.037 20 0 HIADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486546800 901695372 /nfs/dbraw/zinc/69/53/72/901695372.db2.gz GCSYNTTUZOPRSE-UHFFFAOYSA-N -1 1 406.248 4.154 20 0 HIADMM CSc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)o1 ZINC000486680785 901792139 /nfs/dbraw/zinc/79/21/39/901792139.db2.gz CVCNNAUJKLBOFO-UHFFFAOYSA-N -1 1 402.497 4.363 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N[C@@H]2CCCC(F)(F)C2)nc1 ZINC000486885888 901933010 /nfs/dbraw/zinc/93/30/10/901933010.db2.gz OFNWTCXNMPCDAO-GFCCVEGCSA-N -1 1 403.401 4.150 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1F ZINC000486956153 901988121 /nfs/dbraw/zinc/98/81/21/901988121.db2.gz QXGNABVTYRECIX-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1 ZINC000487271180 902132324 /nfs/dbraw/zinc/13/23/24/902132324.db2.gz QYGJBSAJBDAANB-UHFFFAOYSA-N -1 1 409.573 4.324 20 0 HIADMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)ccc1F ZINC000487940673 902471948 /nfs/dbraw/zinc/47/19/48/902471948.db2.gz DWITYGIVYHPHCU-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H](C)C2)cc1C ZINC000488296860 902758574 /nfs/dbraw/zinc/75/85/74/902758574.db2.gz JYQWJRAGWZYODV-INIZCTEOSA-N -1 1 400.544 4.230 20 0 HIADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000489457578 903395616 /nfs/dbraw/zinc/39/56/16/903395616.db2.gz LHPGWMRXRFNGSX-HNNXBMFYSA-N -1 1 417.440 4.132 20 0 HIADMM CC(C)c1noc(-c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2)n1 ZINC000489706562 903549369 /nfs/dbraw/zinc/54/93/69/903549369.db2.gz UARFUCIRFMULET-UHFFFAOYSA-N -1 1 421.862 4.012 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cccc(OCC(F)(F)F)c3)ccc21 ZINC000489725076 903560954 /nfs/dbraw/zinc/56/09/54/903560954.db2.gz NFVXGCYPXVQCFB-UHFFFAOYSA-N -1 1 413.421 4.359 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc([C@H]4C[C@H]4C)[nH]n3)cc2)c1C ZINC000490258348 903857643 /nfs/dbraw/zinc/85/76/43/903857643.db2.gz LXKUTLPQVYKYQR-KDOFPFPSSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([C@@H]4C[C@@H]4C)[nH]n3)ccc2C)c1 ZINC000490258366 903857848 /nfs/dbraw/zinc/85/78/48/903857848.db2.gz LYYCYTQOIZDUCA-MAUKXSAKSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nc1-c1ccccc1 ZINC000490418506 903996946 /nfs/dbraw/zinc/99/69/46/903996946.db2.gz RAHQRJKOZKQKDC-CQSZACIVSA-N -1 1 417.918 4.148 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@H](C)C(=O)Nc2cccc(Cl)c2C)nc1-c1ccccc1 ZINC000490477520 904031842 /nfs/dbraw/zinc/03/18/42/904031842.db2.gz QFNJADOBFVEVNN-CQSZACIVSA-N -1 1 417.918 4.148 20 0 HIADMM O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000490550846 904095049 /nfs/dbraw/zinc/09/50/49/904095049.db2.gz XXFZDYAZZRMTMO-UHFFFAOYSA-N -1 1 424.432 4.219 20 0 HIADMM CCC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CC1 ZINC000490568742 904107244 /nfs/dbraw/zinc/10/72/44/904107244.db2.gz QYRCNHPJVUAPNZ-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000490785301 904233210 /nfs/dbraw/zinc/23/32/10/904233210.db2.gz QLJMNACYKIHFLY-UHFFFAOYSA-N -1 1 410.493 4.428 20 0 HIADMM CC[C@H]1C[C@]1(NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cccc(C)c1 ZINC000506165956 914830842 /nfs/dbraw/zinc/83/08/42/914830842.db2.gz GQNSQFJDNVVLTB-UQBPGWFLSA-N -1 1 416.525 4.235 20 0 HIADMM C[C@@H]1CC(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H](C)C1 ZINC000506190317 914838847 /nfs/dbraw/zinc/83/88/47/914838847.db2.gz NWKRQJCUOOSVNU-IRXDYDNUSA-N -1 1 400.544 4.176 20 0 HIADMM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc(Cl)c([O-])c(OCC)c3)nc21 ZINC000493732932 905204060 /nfs/dbraw/zinc/20/40/60/905204060.db2.gz CSORCTCNALOIMJ-LLVKDONJSA-N -1 1 424.906 4.136 20 0 HIADMM COC(=O)c1ccccc1S(=O)(=O)[N-][C@H](c1cccc2ccccc21)C(F)(F)F ZINC000512436495 921160381 /nfs/dbraw/zinc/16/03/81/921160381.db2.gz KXYLPNJIWSDLPV-GOSISDBHSA-N -1 1 423.412 4.208 20 0 HIADMM COC(=O)c1ccccc1S(=O)(=O)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000512436496 921160626 /nfs/dbraw/zinc/16/06/26/921160626.db2.gz KXYLPNJIWSDLPV-SFHVURJKSA-N -1 1 423.412 4.208 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(C(F)(F)F)cc1 ZINC000512457126 921174317 /nfs/dbraw/zinc/17/43/17/921174317.db2.gz LKRHTFQTSKWIPP-UHFFFAOYSA-N -1 1 418.437 4.042 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCSCC3)c2)cc1 ZINC000494569025 905840915 /nfs/dbraw/zinc/84/09/15/905840915.db2.gz FBGITDQRGWXNIU-MRXNPFEDSA-N -1 1 418.584 4.190 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)o1 ZINC000494883258 906059821 /nfs/dbraw/zinc/05/98/21/906059821.db2.gz ORQJOKHKPNRPLH-UHFFFAOYSA-N -1 1 409.266 4.055 20 0 HIADMM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000495263015 906348914 /nfs/dbraw/zinc/34/89/14/906348914.db2.gz RXTUSHUASFSFPO-SSDOTTSWSA-N -1 1 401.801 4.144 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1c(F)cccc1F ZINC000512644907 921272086 /nfs/dbraw/zinc/27/20/86/921272086.db2.gz WYNHVLSZGZBMPA-UHFFFAOYSA-N -1 1 402.466 4.398 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1ccc(F)cc1F ZINC000512644408 921272351 /nfs/dbraw/zinc/27/23/51/921272351.db2.gz NKGKEJWAMNZNFS-UHFFFAOYSA-N -1 1 402.466 4.398 20 0 HIADMM COc1ccc(-c2nc(CSc3nc([O-])cc(=O)n3C3CCCC3)cs2)cc1 ZINC000497423518 906896486 /nfs/dbraw/zinc/89/64/86/906896486.db2.gz DFMLFAHYLCPGOO-UHFFFAOYSA-N -1 1 415.540 4.488 20 0 HIADMM CC[C@H](c1nnc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)s1)c1ccccc1 ZINC000497423453 906896647 /nfs/dbraw/zinc/89/66/47/906896647.db2.gz CJRHSGONCDCNAV-INIZCTEOSA-N -1 1 417.494 4.286 20 0 HIADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])s1 ZINC000497570003 907055296 /nfs/dbraw/zinc/05/52/96/907055296.db2.gz YBQIDNHNPPRVLQ-UHFFFAOYSA-N -1 1 422.915 4.469 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(OCC(F)(F)F)c1 ZINC000512781454 921310273 /nfs/dbraw/zinc/31/02/73/921310273.db2.gz RPWVABQSAQKFQC-UHFFFAOYSA-N -1 1 417.405 4.052 20 0 HIADMM CC(C)c1nc(C(=O)[N-]c2nc(-c3cccs3)ns2)nn1-c1cccc(F)c1 ZINC000497977422 907449601 /nfs/dbraw/zinc/44/96/01/907449601.db2.gz SGDHHQVAEOTACI-UHFFFAOYSA-N -1 1 414.491 4.362 20 0 HIADMM O=C(Nc1cccc(C2CC2)n1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000498077635 907587302 /nfs/dbraw/zinc/58/73/02/907587302.db2.gz PWGTZATZMKBZRJ-UHFFFAOYSA-N -1 1 411.458 4.151 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1C ZINC000498401706 907883064 /nfs/dbraw/zinc/88/30/64/907883064.db2.gz BADLBQVYIWEUGO-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM CCOC(=O)Cn1ccc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000498426488 907896044 /nfs/dbraw/zinc/89/60/44/907896044.db2.gz VFXLNLPBOSRPIG-UHFFFAOYSA-N -1 1 408.479 4.158 20 0 HIADMM COc1cc(Br)cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 ZINC000498486835 907958496 /nfs/dbraw/zinc/95/84/96/907958496.db2.gz HOWUGFNQBLJPPO-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CCCN(CC(F)F)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000498734963 908162382 /nfs/dbraw/zinc/16/23/82/908162382.db2.gz CAMDBNOCXHBJAV-UHFFFAOYSA-N -1 1 410.486 4.222 20 0 HIADMM C[C@@H]1CC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H](C)C1 ZINC000499146960 908506326 /nfs/dbraw/zinc/50/63/26/908506326.db2.gz NOKSXNCXTUXPTR-SIFCLUCFSA-N -1 1 404.507 4.181 20 0 HIADMM Cc1nn2cc(S(=O)(=O)[N-]c3cc(C(F)F)ccc3Cl)cnc2c1Cl ZINC000499295690 908666621 /nfs/dbraw/zinc/66/66/21/908666621.db2.gz JKYUPAWTVNZDHP-UHFFFAOYSA-N -1 1 407.229 4.083 20 0 HIADMM CCSc1nnc([N-]C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)s1 ZINC000499318819 908692069 /nfs/dbraw/zinc/69/20/69/908692069.db2.gz DRBOLPRHBVWIIM-UHFFFAOYSA-N -1 1 406.924 4.014 20 0 HIADMM CCCN(CC(C)C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000499660464 908868448 /nfs/dbraw/zinc/86/84/48/908868448.db2.gz QBHVFYSXRORFKO-UHFFFAOYSA-N -1 1 406.523 4.443 20 0 HIADMM CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000499705098 908883151 /nfs/dbraw/zinc/88/31/51/908883151.db2.gz XKKHJHWUKOALML-UHFFFAOYSA-N -1 1 405.292 4.069 20 0 HIADMM CSc1ccc(-c2nsc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)n2)cc1 ZINC000499842762 908976662 /nfs/dbraw/zinc/97/66/62/908976662.db2.gz AFYSFXDVOOSLDG-UHFFFAOYSA-N -1 1 421.507 4.133 20 0 HIADMM CC(C)(C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C1CC1 ZINC000500055558 909520515 /nfs/dbraw/zinc/52/05/15/909520515.db2.gz OZMJJIXBSXTZMF-UHFFFAOYSA-N -1 1 408.907 4.221 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000500075878 909547858 /nfs/dbraw/zinc/54/78/58/909547858.db2.gz QRDUDJSMRDWQQO-SFHVURJKSA-N -1 1 424.497 4.256 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(F)c1F ZINC000500154368 909633940 /nfs/dbraw/zinc/63/39/40/909633940.db2.gz MKCUXOQCZMSRTF-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM CC(C)C[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000500179798 909672478 /nfs/dbraw/zinc/67/24/78/909672478.db2.gz LNCXRFFJZRNCDF-QGZVFWFLSA-N -1 1 422.497 4.416 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1Br ZINC000500492991 909888575 /nfs/dbraw/zinc/88/85/75/909888575.db2.gz AYABYHJPTSHJGZ-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC(C)C)C3CC3)c2)cc1F ZINC000513124498 921569046 /nfs/dbraw/zinc/56/90/46/921569046.db2.gz SVKGOMFXESSHSH-UHFFFAOYSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1ccc(Sc2ccncc2)cc1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000501785409 910839561 /nfs/dbraw/zinc/83/95/61/910839561.db2.gz CURZPNXFODUTKZ-UHFFFAOYSA-N -1 1 400.463 4.439 20 0 HIADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c1 ZINC000501791552 910844298 /nfs/dbraw/zinc/84/42/98/910844298.db2.gz FVTFGWOYBDZJNZ-UHFFFAOYSA-N -1 1 411.479 4.243 20 0 HIADMM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502107034 911042464 /nfs/dbraw/zinc/04/24/64/911042464.db2.gz BVMQCFITYULSNB-VIFPVBQESA-N -1 1 410.692 4.134 20 0 HIADMM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000502415800 911395672 /nfs/dbraw/zinc/39/56/72/911395672.db2.gz LKXQRVKPXDFZNL-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502445158 911431172 /nfs/dbraw/zinc/43/11/72/911431172.db2.gz SDYXZHSSIQNTGN-NWDGAFQWSA-N -1 1 416.765 4.194 20 0 HIADMM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000502653608 911695422 /nfs/dbraw/zinc/69/54/22/911695422.db2.gz MJNAVEABMJSNOG-HNNXBMFYSA-N -1 1 414.458 4.033 20 0 HIADMM CCOC[C@H]1CCC[N@@H+](Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000506473836 915070969 /nfs/dbraw/zinc/07/09/69/915070969.db2.gz JQNLWSYTDQPCEN-AWEZNQCLSA-N -1 1 401.507 4.039 20 0 HIADMM CCOC[C@H]1CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000506473836 915070984 /nfs/dbraw/zinc/07/09/84/915070984.db2.gz JQNLWSYTDQPCEN-AWEZNQCLSA-N -1 1 401.507 4.039 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)c1 ZINC000506539593 915185343 /nfs/dbraw/zinc/18/53/43/915185343.db2.gz KNNGYMMFVKZYJI-UHFFFAOYSA-N -1 1 416.524 4.025 20 0 HIADMM Cn1ccnc1C(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000506577793 915227069 /nfs/dbraw/zinc/22/70/69/915227069.db2.gz KAKQEASBMXMAFM-UHFFFAOYSA-N -1 1 417.490 4.119 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1)NC1CC1 ZINC000506687576 915364064 /nfs/dbraw/zinc/36/40/64/915364064.db2.gz CDYHPWUWVJFCHW-UHFFFAOYSA-N -1 1 407.495 4.438 20 0 HIADMM Cc1ccc(-c2csc(CS(=O)(=O)c3nc(-c4ccccc4F)n[n-]3)n2)cc1 ZINC000506942597 915747683 /nfs/dbraw/zinc/74/76/83/915747683.db2.gz KMSARWHLEWGNBN-UHFFFAOYSA-N -1 1 414.487 4.017 20 0 HIADMM Cc1ccc(-c2csc(CS(=O)(=O)c3n[n-]c(-c4ccccc4F)n3)n2)cc1 ZINC000506942597 915747686 /nfs/dbraw/zinc/74/76/86/915747686.db2.gz KMSARWHLEWGNBN-UHFFFAOYSA-N -1 1 414.487 4.017 20 0 HIADMM C[C@@H](F)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000507011039 915819953 /nfs/dbraw/zinc/81/99/53/915819953.db2.gz JHJIBTZCJYHGDA-LLVKDONJSA-N -1 1 419.305 4.272 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)ccc1C ZINC000507636097 916394954 /nfs/dbraw/zinc/39/49/54/916394954.db2.gz LDZOHXUJSRSCMX-UHFFFAOYSA-N -1 1 411.455 4.302 20 0 HIADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c1 ZINC000507638506 916396841 /nfs/dbraw/zinc/39/68/41/916396841.db2.gz UFQZEEVHFKRRMI-UHFFFAOYSA-N -1 1 412.439 4.211 20 0 HIADMM O=C(Nc1cc(C(F)(F)F)ccn1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000507739904 916532661 /nfs/dbraw/zinc/53/26/61/916532661.db2.gz CRXIXIOTHKYFGD-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM O=C(c1ccccc1SCc1cccs1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507871419 916707555 /nfs/dbraw/zinc/70/75/55/916707555.db2.gz DZRZDJPTAPTKTI-CYBMUJFWSA-N -1 1 401.513 4.149 20 0 HIADMM Cc1occc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000507909225 916780249 /nfs/dbraw/zinc/78/02/49/916780249.db2.gz QDFBNJGXJKCUIW-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)no1 ZINC000507916970 916795103 /nfs/dbraw/zinc/79/51/03/916795103.db2.gz GBJDVUDGXBBAQA-UHFFFAOYSA-N -1 1 409.405 4.027 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)c1 ZINC000507918012 916797624 /nfs/dbraw/zinc/79/76/24/916797624.db2.gz AVVOTSSQGBHJFY-UHFFFAOYSA-N -1 1 417.527 4.052 20 0 HIADMM O=C(Nc1ccccn1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000508032058 916865117 /nfs/dbraw/zinc/86/51/17/916865117.db2.gz ISPWEZURXDWLRD-UHFFFAOYSA-N -1 1 407.495 4.014 20 0 HIADMM C[C@@H]1CCC[C@H](CNC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000508248899 917068634 /nfs/dbraw/zinc/06/86/34/917068634.db2.gz OAAHKALUVXLWIN-AEFFLSMTSA-N -1 1 418.534 4.112 20 0 HIADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000508270277 917087506 /nfs/dbraw/zinc/08/75/06/917087506.db2.gz GTMQUVKJYWJSOB-HZPDHXFCSA-N -1 1 404.507 4.183 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000509175392 917888207 /nfs/dbraw/zinc/88/82/07/917888207.db2.gz ZOHPUWRIADTPRW-QGZVFWFLSA-N -1 1 415.704 4.364 20 0 HIADMM Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000509384703 918049844 /nfs/dbraw/zinc/04/98/44/918049844.db2.gz GMPPKOUROTVEFT-UHFFFAOYSA-N -1 1 402.394 4.031 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1Oc1ccc(C)nn1 ZINC000509391789 918057526 /nfs/dbraw/zinc/05/75/26/918057526.db2.gz LSCIRSKWJNEYQX-UHFFFAOYSA-N -1 1 417.512 4.109 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1csc2ccccc12 ZINC000509396262 918061311 /nfs/dbraw/zinc/06/13/11/918061311.db2.gz IMAZXDYIGOPFEQ-UHFFFAOYSA-N -1 1 404.495 4.016 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(COCC2CC2)c1 ZINC000509400150 918065247 /nfs/dbraw/zinc/06/52/47/918065247.db2.gz AMFYRNHBPQTQMT-UHFFFAOYSA-N -1 1 418.497 4.051 20 0 HIADMM C[C@@H]1CCc2nc(C[NH+]3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)sc2C1 ZINC000509519718 918169175 /nfs/dbraw/zinc/16/91/75/918169175.db2.gz LJOATJJGCLEEEJ-CYBMUJFWSA-N -1 1 419.978 4.478 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)[C@H]1C ZINC000509588243 918237320 /nfs/dbraw/zinc/23/73/20/918237320.db2.gz VFBPWNBJZPMRGL-NEPJUHHUSA-N -1 1 413.326 4.275 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cc1OC ZINC000509622758 918269712 /nfs/dbraw/zinc/26/97/12/918269712.db2.gz TVZKCDPVFGVVQX-UHFFFAOYSA-N -1 1 411.479 4.044 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2ccccc2)c[nH]1 ZINC000509628323 918272640 /nfs/dbraw/zinc/27/26/40/918272640.db2.gz IQJSWIMXGRUSGN-UHFFFAOYSA-N -1 1 408.888 4.318 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cc(Cl)ccn1 ZINC000509680698 918310804 /nfs/dbraw/zinc/31/08/04/918310804.db2.gz PBENSLVTSPCEBG-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H](C)c1ccc(F)cc1 ZINC000509740127 918361335 /nfs/dbraw/zinc/36/13/35/918361335.db2.gz MFQGHWJLPQCILE-MRXNPFEDSA-N -1 1 408.477 4.234 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000509767679 918382472 /nfs/dbraw/zinc/38/24/72/918382472.db2.gz SAURAEULRZWQHA-MQMHXKEQSA-N -1 1 414.310 4.005 20 0 HIADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000509793003 918399197 /nfs/dbraw/zinc/39/91/97/918399197.db2.gz YFCMCVSLHGFWCC-HTQZYQBOSA-N -1 1 417.138 4.064 20 0 HIADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000509793298 918401262 /nfs/dbraw/zinc/40/12/62/918401262.db2.gz YFCMCVSLHGFWCC-YUMQZZPRSA-N -1 1 417.138 4.064 20 0 HIADMM CC[C@@H](C)Cc1c(C)sc2nc(-c3cccc(S(=O)(=O)N(C)C)c3)[n-]c(=O)c12 ZINC000510132700 918691077 /nfs/dbraw/zinc/69/10/77/918691077.db2.gz IKDHRNRFOKKDPN-GFCCVEGCSA-N -1 1 419.572 4.211 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000510722714 919166643 /nfs/dbraw/zinc/16/66/43/919166643.db2.gz QAGGMHBKRXJROO-CYBMUJFWSA-N -1 1 420.435 4.223 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)c2ccccc12 ZINC000511218351 919826807 /nfs/dbraw/zinc/82/68/07/919826807.db2.gz APVYEHADQKPVPT-UHFFFAOYSA-N -1 1 407.495 4.284 20 0 HIADMM COc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c(F)c1 ZINC000511233237 919837775 /nfs/dbraw/zinc/83/77/75/919837775.db2.gz LINAXIFUGCEQJH-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000511662898 920327659 /nfs/dbraw/zinc/32/76/59/920327659.db2.gz UVXGHYDEOIHWBO-UHFFFAOYSA-N -1 1 424.520 4.142 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3coc4ccccc34)c2)cc1 ZINC000511793848 920487877 /nfs/dbraw/zinc/48/78/77/920487877.db2.gz LTTMXXITOXVISU-UHFFFAOYSA-N -1 1 420.490 4.472 20 0 HIADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)c2=O ZINC000512032669 920805181 /nfs/dbraw/zinc/80/51/81/920805181.db2.gz IGKSJBPZLDJIIV-MRXNPFEDSA-N -1 1 404.392 4.060 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)[C@@H](C)CC)cc2)cc1 ZINC000512131099 920879125 /nfs/dbraw/zinc/87/91/25/920879125.db2.gz NUCAQWQLGDSKEB-JKSUJKDBSA-N -1 1 404.532 4.051 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1 ZINC000512150487 920892509 /nfs/dbraw/zinc/89/25/09/920892509.db2.gz VSMHJTYLCDMZCX-UHFFFAOYSA-N -1 1 420.534 4.083 20 0 HIADMM CN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000512173991 920910373 /nfs/dbraw/zinc/91/03/73/920910373.db2.gz DIZPUNLHNDMUHZ-IBGZPJMESA-N -1 1 424.863 4.328 20 0 HIADMM O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1)C1CCCC1 ZINC000512316743 921066541 /nfs/dbraw/zinc/06/65/41/921066541.db2.gz XRHVEZBGJJKMNE-MRXNPFEDSA-N -1 1 402.926 4.277 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000512319988 921069199 /nfs/dbraw/zinc/06/91/99/921069199.db2.gz OKBZPORRXGTSPP-TZMCWYRMSA-N -1 1 411.449 4.297 20 0 HIADMM CC(C)(CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)Oc1ccccc1 ZINC000513623064 921950938 /nfs/dbraw/zinc/95/09/38/921950938.db2.gz CCPIGODCMDAVHW-UHFFFAOYSA-N -1 1 424.522 4.075 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC(C)C2)cc1 ZINC000513681968 922003380 /nfs/dbraw/zinc/00/33/80/922003380.db2.gz MNXGVPYZEICHEC-UHFFFAOYSA-N -1 1 400.544 4.185 20 0 HIADMM CC[C@H]1C[C@@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513721421 922040873 /nfs/dbraw/zinc/04/08/73/922040873.db2.gz WPNPBZRUYQBBEP-LPHOPBHVSA-N -1 1 402.516 4.021 20 0 HIADMM CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(CCOC)cc3)ccc2s1 ZINC000513818956 922141682 /nfs/dbraw/zinc/14/16/82/922141682.db2.gz NCJUGQIEMAHGBY-UHFFFAOYSA-N -1 1 419.524 4.068 20 0 HIADMM COCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)o1 ZINC000514317690 922596196 /nfs/dbraw/zinc/59/61/96/922596196.db2.gz VPTWMJOJRHGPHM-UHFFFAOYSA-N -1 1 420.874 4.133 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000514810398 922808980 /nfs/dbraw/zinc/80/89/80/922808980.db2.gz ZIRYHGSCLZTXIE-KRWDZBQOSA-N -1 1 421.566 4.482 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCc3ccccc3)cc2)cc1C ZINC000515369137 923068547 /nfs/dbraw/zinc/06/85/47/923068547.db2.gz ZVIBRSLJSYESSP-UHFFFAOYSA-N -1 1 422.550 4.419 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000515390180 923076236 /nfs/dbraw/zinc/07/62/36/923076236.db2.gz KEAQLYPJBSJGCO-CYBMUJFWSA-N -1 1 403.059 4.404 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000515562692 923179242 /nfs/dbraw/zinc/17/92/42/923179242.db2.gz SKHVUHONWLOFAK-CYBMUJFWSA-N -1 1 415.262 4.472 20 0 HIADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000515629839 923229290 /nfs/dbraw/zinc/22/92/90/923229290.db2.gz OXSJXJQDAXIQEU-UHFFFAOYSA-N -1 1 420.534 4.444 20 0 HIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)n1 ZINC000515630600 923231358 /nfs/dbraw/zinc/23/13/58/923231358.db2.gz AUOKCUIFOFWSAR-UHFFFAOYSA-N -1 1 413.377 4.053 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cc1OC ZINC000515631160 923232019 /nfs/dbraw/zinc/23/20/19/923232019.db2.gz QXJGHMHSDNJLAR-UHFFFAOYSA-N -1 1 418.446 4.139 20 0 HIADMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000515631164 923233026 /nfs/dbraw/zinc/23/30/26/923233026.db2.gz REJGWKLASMFZAG-UHFFFAOYSA-N -1 1 406.507 4.069 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)c1C ZINC000515633971 923234054 /nfs/dbraw/zinc/23/40/54/923234054.db2.gz NTZPRFKAUCMHKR-UHFFFAOYSA-N -1 1 400.544 4.393 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000515632858 923235720 /nfs/dbraw/zinc/23/57/20/923235720.db2.gz GFSIWJYDYHUSKU-UHFFFAOYSA-N -1 1 401.463 4.078 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)nc1)c1ccc(OCC2CCCCC2)cc1 ZINC000515692346 923277125 /nfs/dbraw/zinc/27/71/25/923277125.db2.gz VHBYLHMHABYGFK-UHFFFAOYSA-N -1 1 412.515 4.027 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(-n3nc(C)cc3C)c2)c1 ZINC000515720133 923301023 /nfs/dbraw/zinc/30/10/23/923301023.db2.gz ANBWWNOZHDHIQN-UHFFFAOYSA-N -1 1 405.907 4.090 20 0 HIADMM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000515831271 923380331 /nfs/dbraw/zinc/38/03/31/923380331.db2.gz PRYFUEUILSLVRS-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2s1 ZINC000515837195 923384207 /nfs/dbraw/zinc/38/42/07/923384207.db2.gz ZPWNJQCXAHDGFU-UHFFFAOYSA-N -1 1 407.492 4.283 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2)cc1C ZINC000515848792 923391173 /nfs/dbraw/zinc/39/11/73/923391173.db2.gz REIBRLLMLFYZNC-UHFFFAOYSA-N -1 1 416.543 4.067 20 0 HIADMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000516108852 923547779 /nfs/dbraw/zinc/54/77/79/923547779.db2.gz PMTDKFUPLPVLMB-UHFFFAOYSA-N -1 1 408.470 4.406 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)c(C)c1C ZINC000516339842 923675506 /nfs/dbraw/zinc/67/55/06/923675506.db2.gz IDBOHSOWJUDMAD-UHFFFAOYSA-N -1 1 409.414 4.100 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1Cl ZINC000516827922 923907933 /nfs/dbraw/zinc/90/79/33/923907933.db2.gz ZPVHXPOHCGIQIT-UHFFFAOYSA-N -1 1 423.922 4.084 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1cc(Cl)ccc1Br ZINC000516943129 923944493 /nfs/dbraw/zinc/94/44/93/923944493.db2.gz QWXNXPUZNNHJEC-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@H]1C1CCCC1 ZINC000517097520 923995468 /nfs/dbraw/zinc/99/54/68/923995468.db2.gz FRPVIVKBURRKTL-NRFANRHFSA-N -1 1 416.518 4.421 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CC[C@H](C)CC3)cc2)ccc1F ZINC000517458643 924203909 /nfs/dbraw/zinc/20/39/09/924203909.db2.gz SCEGDMRNZXFGQC-CZIWCDLHSA-N -1 1 404.507 4.243 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1sccc1OC(F)F ZINC000517824164 926853235 /nfs/dbraw/zinc/85/32/35/926853235.db2.gz PJQPCEZXHNFIRX-UHFFFAOYSA-N -1 1 424.450 4.403 20 0 HIADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000517835535 926857792 /nfs/dbraw/zinc/85/77/92/926857792.db2.gz JQZSYUDRENGQIU-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C(F)(F)F)cc1 ZINC000517923303 926891440 /nfs/dbraw/zinc/89/14/40/926891440.db2.gz FBKVLBZGNNZXCC-UHFFFAOYSA-N -1 1 417.449 4.482 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](CC)C(C)(C)C)cc2)cc1 ZINC000517963763 926905757 /nfs/dbraw/zinc/90/57/57/926905757.db2.gz VVKIQLZYKMHIPV-FQEVSTJZSA-N -1 1 418.559 4.441 20 0 HIADMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000518432582 927267347 /nfs/dbraw/zinc/26/73/47/927267347.db2.gz VCRKTDJAYDPYDM-QRQCRPRQSA-N -1 1 424.497 4.290 20 0 HIADMM CCc1ccc(-c2nc(CS(=O)(=O)c3nc(-c4ccccc4)n[n-]3)cs2)cc1 ZINC000518684049 927430315 /nfs/dbraw/zinc/43/03/15/927430315.db2.gz UDROUULPMYEFIY-UHFFFAOYSA-N -1 1 410.524 4.132 20 0 HIADMM CCc1ccc(-c2nc(CS(=O)(=O)c3n[n-]c(-c4ccccc4)n3)cs2)cc1 ZINC000518684049 927430320 /nfs/dbraw/zinc/43/03/20/927430320.db2.gz UDROUULPMYEFIY-UHFFFAOYSA-N -1 1 410.524 4.132 20 0 HIADMM O=S(=O)([N-]c1ccccc1-n1cccn1)c1ccc(OCc2ccccc2)cc1 ZINC000519059848 927737569 /nfs/dbraw/zinc/73/75/69/927737569.db2.gz XUKUMLMTSCBHEN-UHFFFAOYSA-N -1 1 405.479 4.252 20 0 HIADMM Cc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000519161698 927807342 /nfs/dbraw/zinc/80/73/42/927807342.db2.gz YSBDISOUWHTIOP-GOTSBHOMSA-N -1 1 414.505 4.262 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000519217766 927832076 /nfs/dbraw/zinc/83/20/76/927832076.db2.gz WXOZQXXAWBJFAN-UHFFFAOYSA-N -1 1 407.451 4.110 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc4n3CCCCC4)c2)ccc1F ZINC000519231429 927838586 /nfs/dbraw/zinc/83/85/86/927838586.db2.gz BKHCCQKHRSEQNJ-UHFFFAOYSA-N -1 1 418.469 4.059 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1C ZINC000519662912 928039820 /nfs/dbraw/zinc/03/98/20/928039820.db2.gz PCFFQXQHCJKFLT-UHFFFAOYSA-N -1 1 402.285 4.323 20 0 HIADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(Br)c1 ZINC000519841513 928090573 /nfs/dbraw/zinc/09/05/73/928090573.db2.gz DZVJUFPIOKXXTD-UHFFFAOYSA-N -1 1 409.227 4.281 20 0 HIADMM C[C@@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)c2)C1 ZINC000519876633 928111395 /nfs/dbraw/zinc/11/13/95/928111395.db2.gz ZXKLICDDNKLSBQ-PBHICJAKSA-N -1 1 416.499 4.430 20 0 HIADMM Cc1ccc(NC(=O)[C@H](C)OCCC(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000519976917 928202673 /nfs/dbraw/zinc/20/26/73/928202673.db2.gz PROZJBQZDVRNGZ-KRWDZBQOSA-N -1 1 404.532 4.186 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H]3CC=CCC3)c2)cc1F ZINC000519978119 928204293 /nfs/dbraw/zinc/20/42/93/928204293.db2.gz FZAVFNVDSMSLSF-MRXNPFEDSA-N -1 1 402.491 4.021 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2cccnc2)cc1 ZINC000520103572 928313599 /nfs/dbraw/zinc/31/35/99/928313599.db2.gz XMDURKHAHJYZGW-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000520133674 928331112 /nfs/dbraw/zinc/33/11/12/928331112.db2.gz HQYYLGLRTGAFOX-NRFANRHFSA-N -1 1 402.498 4.021 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000520191181 928378945 /nfs/dbraw/zinc/37/89/45/928378945.db2.gz ZZGKPWAXDHHBIJ-KRWDZBQOSA-N -1 1 420.538 4.446 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nc(-c3cccs3)no2)cc1 ZINC000520275675 928439250 /nfs/dbraw/zinc/43/92/50/928439250.db2.gz LLFWRGGNJMKJIW-UHFFFAOYSA-N -1 1 401.444 4.405 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(COc4ccccc4)no3)c2)c1 ZINC000520278544 928442663 /nfs/dbraw/zinc/44/26/63/928442663.db2.gz CACLPUKRWZMMEW-UHFFFAOYSA-N -1 1 421.478 4.425 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(CC)CC3)c2)cc1 ZINC000520350174 928513197 /nfs/dbraw/zinc/51/31/97/928513197.db2.gz GHSSMGGQXVCXLN-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000520700039 928746683 /nfs/dbraw/zinc/74/66/83/928746683.db2.gz XTWBEHRPRKXPGT-UHFFFAOYSA-N -1 1 419.499 4.044 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2C)cc1C ZINC000520699883 928746749 /nfs/dbraw/zinc/74/67/49/928746749.db2.gz BTWLMVBCVZCHSW-MRXNPFEDSA-N -1 1 404.507 4.258 20 0 HIADMM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Cl)sc1Cl ZINC000520738340 928787568 /nfs/dbraw/zinc/78/75/68/928787568.db2.gz WOYQQILGHIKOCR-SMDDNHRTSA-N -1 1 410.319 4.393 20 0 HIADMM CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000520910967 928870663 /nfs/dbraw/zinc/87/06/63/928870663.db2.gz OEPSKSZGHGLTDE-HNNXBMFYSA-N -1 1 421.328 4.039 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCC3)cc1 ZINC000520927055 928877537 /nfs/dbraw/zinc/87/75/37/928877537.db2.gz KINISZZFDWKDLS-UHFFFAOYSA-N -1 1 402.907 4.044 20 0 HIADMM Cc1cccc(COc2cccc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)c2)c1 ZINC000521079557 928977473 /nfs/dbraw/zinc/97/74/73/928977473.db2.gz WRDVPPXKXSNBPJ-UHFFFAOYSA-N -1 1 416.481 4.120 20 0 HIADMM Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)c2)c1 ZINC000521144426 929022692 /nfs/dbraw/zinc/02/26/92/929022692.db2.gz JZXUJWRNSMCMIQ-UHFFFAOYSA-N -1 1 410.451 4.222 20 0 HIADMM CC(C)[C@@H](C)N(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1CC1 ZINC000521181294 929047878 /nfs/dbraw/zinc/04/78/78/929047878.db2.gz GXIHIDDZRCIYCL-CQSZACIVSA-N -1 1 422.497 4.415 20 0 HIADMM CN(C)c1nc2sc(C(=O)[N-]c3n[nH]c(-c4ccc(Cl)cc4)n3)cc2s1 ZINC000521209336 929061151 /nfs/dbraw/zinc/06/11/51/929061151.db2.gz JEZHXQOTOZKYON-UHFFFAOYSA-N -1 1 404.908 4.115 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3(C)CCCC3)c2)cc1 ZINC000521289642 929104228 /nfs/dbraw/zinc/10/42/28/929104228.db2.gz KPRPIQVANVMMIF-UHFFFAOYSA-N -1 1 416.543 4.196 20 0 HIADMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)cc2)cc1 ZINC000521337209 929150775 /nfs/dbraw/zinc/15/07/75/929150775.db2.gz TYZPNDOCGCORHX-UHFFFAOYSA-N -1 1 410.495 4.290 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)o1 ZINC000521513647 929266934 /nfs/dbraw/zinc/26/69/34/929266934.db2.gz HGZLQMPWXPTGFN-SFHVURJKSA-N -1 1 424.950 4.281 20 0 HIADMM CCC[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000521573350 929304711 /nfs/dbraw/zinc/30/47/11/929304711.db2.gz UGGAWZCSGOKWQH-QGZVFWFLSA-N -1 1 404.532 4.195 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)cc1 ZINC000521765294 929428399 /nfs/dbraw/zinc/42/83/99/929428399.db2.gz NZZIBYMRXVFWRB-UHFFFAOYSA-N -1 1 424.526 4.036 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC2(c3ccccc3)CC2)c1 ZINC000521904754 929548975 /nfs/dbraw/zinc/54/89/75/929548975.db2.gz BSMXEYDKBKKMNY-UHFFFAOYSA-N -1 1 424.497 4.354 20 0 HIADMM CSc1ncc(Cl)c(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)n1 ZINC000521969264 929606186 /nfs/dbraw/zinc/60/61/86/929606186.db2.gz IOBMYIAFDGYLLI-UHFFFAOYSA-N -1 1 402.911 4.187 20 0 HIADMM CCC1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)CC1 ZINC000521991625 929615528 /nfs/dbraw/zinc/61/55/28/929615528.db2.gz WRGHVBKALVFOMT-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccc(C)cc4)cc3)cc21 ZINC000524549920 929678832 /nfs/dbraw/zinc/67/88/32/929678832.db2.gz WRCCTLYTANPUMM-UHFFFAOYSA-N -1 1 422.506 4.497 20 0 HIADMM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000524847834 929856282 /nfs/dbraw/zinc/85/62/82/929856282.db2.gz MKFVSUKKNWWXSC-DNVCBOLYSA-N -1 1 404.507 4.325 20 0 HIADMM CC(C)n1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4Cl)[nH]c3c2)cn1 ZINC000525012301 929973158 /nfs/dbraw/zinc/97/31/58/929973158.db2.gz AGNODLCMWQSKIW-UHFFFAOYSA-N -1 1 415.906 4.462 20 0 HIADMM CCc1ccc(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000525068084 930015125 /nfs/dbraw/zinc/01/51/25/930015125.db2.gz XCGNKMCHCZMYJB-UHFFFAOYSA-N -1 1 412.486 4.370 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CSc2ccccc21 ZINC000525069097 930015462 /nfs/dbraw/zinc/01/54/62/930015462.db2.gz RCHSLYYONLQWER-LJQANCHMSA-N -1 1 410.520 4.315 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(COCc3ccccc3)cc2)c1 ZINC000525101860 930035729 /nfs/dbraw/zinc/03/57/29/930035729.db2.gz AQFMUPUBOUACTD-UHFFFAOYSA-N -1 1 424.522 4.336 20 0 HIADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000525104391 930038496 /nfs/dbraw/zinc/03/84/96/930038496.db2.gz ZMRYXPQZLSULGI-HUUCEWRRSA-N -1 1 422.497 4.416 20 0 HIADMM O=C(CCC(F)(F)F)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000525235454 930098284 /nfs/dbraw/zinc/09/82/84/930098284.db2.gz AZMFYJQKFLJCGG-UHFFFAOYSA-N -1 1 422.812 4.127 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccc1C(=O)N(C)C ZINC000525371799 930202684 /nfs/dbraw/zinc/20/26/84/930202684.db2.gz SHNMNKXGAAHBIW-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000525389713 930213344 /nfs/dbraw/zinc/21/33/44/930213344.db2.gz APMLOVSTGFOUQW-UKRRQHHQSA-N -1 1 406.935 4.320 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccccc3-n3cccn3)cc2)cc1 ZINC000525481529 930270249 /nfs/dbraw/zinc/27/02/49/930270249.db2.gz YFASLRVGSSNQTF-UHFFFAOYSA-N -1 1 421.478 4.474 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)cc2)cc1 ZINC000525483163 930271829 /nfs/dbraw/zinc/27/18/29/930271829.db2.gz CMDJOUDIOMLVBO-UHFFFAOYSA-N -1 1 415.467 4.306 20 0 HIADMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000525533849 930308432 /nfs/dbraw/zinc/30/84/32/930308432.db2.gz YDYWQRZLSJLCAD-UHFFFAOYSA-N -1 1 419.396 4.096 20 0 HIADMM Cc1cccc2c(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)c[nH]c21 ZINC000525585077 930346674 /nfs/dbraw/zinc/34/66/74/930346674.db2.gz QJOUYNOFLYAKRQ-UHFFFAOYSA-N -1 1 419.506 4.458 20 0 HIADMM Cc1cccc([C@@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1C ZINC000525586391 930347376 /nfs/dbraw/zinc/34/73/76/930347376.db2.gz GPOLNODVQKVXMW-QFIPXVFZSA-N -1 1 416.525 4.466 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(C)(C)C)cc1 ZINC000525723399 930416105 /nfs/dbraw/zinc/41/61/05/930416105.db2.gz HZWONRNZYPPSRP-HXUWFJFHSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Cc2nnc3ccccn32)cc1 ZINC000525740215 930422631 /nfs/dbraw/zinc/42/26/31/930422631.db2.gz TZBQPWBKOODEDU-UHFFFAOYSA-N -1 1 412.902 4.083 20 0 HIADMM C[C@@H]1C[C@@H](C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000527180020 930607866 /nfs/dbraw/zinc/60/78/66/930607866.db2.gz PVERSPVALBCNKL-VXGBXAGGSA-N -1 1 413.326 4.417 20 0 HIADMM CC(C)(C)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000530467576 930721102 /nfs/dbraw/zinc/72/11/02/930721102.db2.gz FWLWGMJZUSJVEC-UHFFFAOYSA-N -1 1 400.544 4.386 20 0 HIADMM CCc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000530588382 930760631 /nfs/dbraw/zinc/76/06/31/930760631.db2.gz UHFGTKVGBJZRLD-UHFFFAOYSA-N -1 1 414.458 4.147 20 0 HIADMM CCc1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000530827845 930833506 /nfs/dbraw/zinc/83/35/06/930833506.db2.gz PWICAXQWVVUATL-UHFFFAOYSA-N -1 1 414.458 4.147 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(F)ccc3O)c2)c1 ZINC000530896934 930852828 /nfs/dbraw/zinc/85/28/28/930852828.db2.gz KQFHGAIWUILZTI-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(O)cc3)cc2)cc1C ZINC000531081097 930911989 /nfs/dbraw/zinc/91/19/89/930911989.db2.gz FRRYPALYRBUHHZ-UHFFFAOYSA-N -1 1 424.522 4.082 20 0 HIADMM O=C(Cc1ccsc1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000531112888 930924668 /nfs/dbraw/zinc/92/46/68/930924668.db2.gz OETQJQUJUMEFBD-UHFFFAOYSA-N -1 1 422.915 4.089 20 0 HIADMM Cc1cccc2c1N(C(=O)c1ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc1)CC2 ZINC000531144479 930942970 /nfs/dbraw/zinc/94/29/70/930942970.db2.gz TYKSIHVPVCQKLV-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM CCc1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000531305235 931009293 /nfs/dbraw/zinc/00/92/93/931009293.db2.gz IENQCKSAPRNCQS-UHFFFAOYSA-N -1 1 410.495 4.316 20 0 HIADMM COc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c(C)c1 ZINC000531731074 931176732 /nfs/dbraw/zinc/17/67/32/931176732.db2.gz TWSGQFRGVKKLLI-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM Cc1cc(COc2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2Br)on1 ZINC000532266802 931376302 /nfs/dbraw/zinc/37/63/02/931376302.db2.gz VBOCLFDWIIZGGY-UHFFFAOYSA-N -1 1 421.222 4.422 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cnc2n1 ZINC000532838309 931650281 /nfs/dbraw/zinc/65/02/81/931650281.db2.gz WLLYQYSCJSTQRN-OAHLLOKOSA-N -1 1 411.889 4.228 20 0 HIADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)c[n-]c2n1 ZINC000532838309 931650290 /nfs/dbraw/zinc/65/02/90/931650290.db2.gz WLLYQYSCJSTQRN-OAHLLOKOSA-N -1 1 411.889 4.228 20 0 HIADMM O=C(Nc1ccc(Cl)cc1[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000532839327 931651317 /nfs/dbraw/zinc/65/13/17/931651317.db2.gz GZMXEPONXCTMDM-UHFFFAOYSA-N -1 1 405.841 4.056 20 0 HIADMM CC(C)c1noc([C@@H](C)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000532955592 931710087 /nfs/dbraw/zinc/71/00/87/931710087.db2.gz OVDOUVJKLMBEGJ-MRXNPFEDSA-N -1 1 414.531 4.187 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCCn3cccc3)ccc2C)c1 ZINC000533326206 931839403 /nfs/dbraw/zinc/83/94/03/931839403.db2.gz WQNQXPADIUTRJO-UHFFFAOYSA-N -1 1 411.527 4.325 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(OCC(F)(F)F)cc1 ZINC000533939741 932113499 /nfs/dbraw/zinc/11/34/99/932113499.db2.gz UMEXZABANSCDOI-UHFFFAOYSA-N -1 1 421.347 4.242 20 0 HIADMM CCc1onc(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000534127060 932292383 /nfs/dbraw/zinc/29/23/83/932292383.db2.gz QMXYLVCGIYUOKL-UHFFFAOYSA-N -1 1 417.462 4.046 20 0 HIADMM CN1CC[C@H](CNC(=O)CC2(C(=O)[O-])CCCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534241525 932360025 /nfs/dbraw/zinc/36/00/25/932360025.db2.gz BOSMDSYCFQNXLS-OXQOHEQNSA-N -1 1 424.944 4.403 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1ccc(F)cc1C(F)(F)F ZINC000534667250 932637237 /nfs/dbraw/zinc/63/72/37/932637237.db2.gz IJILSXUQDOAUGF-UHFFFAOYSA-N -1 1 409.311 4.459 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)ccc1Br ZINC000534687492 932659238 /nfs/dbraw/zinc/65/92/38/932659238.db2.gz MEDUVJCPXUORPZ-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)cc1 ZINC000534739054 932709039 /nfs/dbraw/zinc/70/90/39/932709039.db2.gz BZUGJXKLGWIWHH-JOCHJYFZSA-N -1 1 421.522 4.072 20 0 HIADMM CCc1onc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000534782195 932764666 /nfs/dbraw/zinc/76/46/66/932764666.db2.gz YUYRTCODVCIFTN-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000534938405 932847250 /nfs/dbraw/zinc/84/72/50/932847250.db2.gz GOSSGGMJPRLLCF-NRFANRHFSA-N -1 1 416.525 4.109 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1)c1ccc(F)cc1 ZINC000534942225 932849468 /nfs/dbraw/zinc/84/94/68/932849468.db2.gz RHXXFHNIGKMEGG-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(O)c3F)c2)c1 ZINC000534945557 932851130 /nfs/dbraw/zinc/85/11/30/932851130.db2.gz QCPOMPULDMBPCB-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000534997391 932881641 /nfs/dbraw/zinc/88/16/41/932881641.db2.gz SPECKBSQXACFGM-UHFFFAOYSA-N -1 1 406.733 4.298 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2CN2CCc3ccccc32)c1 ZINC000535102964 932920204 /nfs/dbraw/zinc/92/02/04/932920204.db2.gz ZNCCKIKTBFCJMZ-UHFFFAOYSA-N -1 1 401.466 4.166 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000535311275 933065703 /nfs/dbraw/zinc/06/57/03/933065703.db2.gz BPFGWRNEPYTCQV-ZDUSSCGKSA-N -1 1 421.522 4.133 20 0 HIADMM CCOc1ccc(F)c([N-]C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)c1F ZINC000535484103 933174350 /nfs/dbraw/zinc/17/43/50/933174350.db2.gz UYXHGKHHQREYPI-UHFFFAOYSA-N -1 1 404.392 4.459 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(O)c3F)ccc2C)c1 ZINC000535659084 933302677 /nfs/dbraw/zinc/30/26/77/933302677.db2.gz WWZDKOUIZTWUIA-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1n[nH]c2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc12 ZINC000535818223 933412068 /nfs/dbraw/zinc/41/20/68/933412068.db2.gz CVTSUVQSZBVMCF-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 ZINC000535856124 933439300 /nfs/dbraw/zinc/43/93/00/933439300.db2.gz PZAGXUKDODKACH-UHFFFAOYSA-N -1 1 420.903 4.259 20 0 HIADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000535894697 933474823 /nfs/dbraw/zinc/47/48/23/933474823.db2.gz GRXKOWNYGSLUQZ-UHFFFAOYSA-N -1 1 401.415 4.000 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)c(=O)[n-]1 ZINC000535938597 933504972 /nfs/dbraw/zinc/50/49/72/933504972.db2.gz RYMNGEBOIIXUGV-ZDUSSCGKSA-N -1 1 408.593 4.253 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)co1 ZINC000535959541 933525264 /nfs/dbraw/zinc/52/52/64/933525264.db2.gz LEDLLVKWJUADDL-UHFFFAOYSA-N -1 1 422.915 4.245 20 0 HIADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C)c2ccc(Cl)cc2)no1 ZINC000536121248 933671409 /nfs/dbraw/zinc/67/14/09/933671409.db2.gz JPBZXOYQORLCHB-INIZCTEOSA-N -1 1 412.298 4.061 20 0 HIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O ZINC000536130725 933678257 /nfs/dbraw/zinc/67/82/57/933678257.db2.gz SMAQHDXCLAMGCW-UHFFFAOYSA-N -1 1 406.769 4.315 20 0 HIADMM COc1ccc([C@@H](C)NC(=O)Cc2noc(-c3ccc4ccccc4c3[O-])n2)cc1 ZINC000562560019 945099128 /nfs/dbraw/zinc/09/91/28/945099128.db2.gz VRPTYPAVCQZTNA-CQSZACIVSA-N -1 1 403.438 4.024 20 0 HIADMM Cc1scc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1C ZINC000538014945 938462747 /nfs/dbraw/zinc/46/27/47/938462747.db2.gz HEKJUPGIEWUSGI-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1Cl ZINC000538015686 938462910 /nfs/dbraw/zinc/46/29/10/938462910.db2.gz RFNYRIWDXFHZFD-UHFFFAOYSA-N -1 1 424.950 4.410 20 0 HIADMM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000538048213 938482039 /nfs/dbraw/zinc/48/20/39/938482039.db2.gz HFWQXGCNIHXLLX-UHFFFAOYSA-N -1 1 408.495 4.037 20 0 HIADMM CCCCN(CC)c1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000538052442 938485514 /nfs/dbraw/zinc/48/55/14/938485514.db2.gz SUVHMTOPMBKLAL-UHFFFAOYSA-N -1 1 407.511 4.076 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CSc1ccc2ccccc2c1 ZINC000538052926 938485721 /nfs/dbraw/zinc/48/57/21/938485721.db2.gz YCNNJFYATHKOBY-UHFFFAOYSA-N -1 1 404.488 4.081 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)cc1 ZINC000538135871 938516425 /nfs/dbraw/zinc/51/64/25/938516425.db2.gz NAVTYLYUUVKJSY-UHFFFAOYSA-N -1 1 407.495 4.032 20 0 HIADMM CC[C@H](CSC)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000538262975 938577908 /nfs/dbraw/zinc/57/79/08/938577908.db2.gz MBFDYDUYRFMORX-OAHLLOKOSA-N -1 1 412.964 4.012 20 0 HIADMM O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1c(F)ccc([O-])c1F ZINC000539423780 938858410 /nfs/dbraw/zinc/85/84/10/938858410.db2.gz GNNSBJAVQYOBLY-UHFFFAOYSA-N -1 1 409.454 4.170 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC=C(c2ccncc2)C1 ZINC000563577210 945222538 /nfs/dbraw/zinc/22/25/38/945222538.db2.gz DUIWJAKFODUCDE-UHFFFAOYSA-N -1 1 410.271 4.027 20 0 HIADMM Cc1nscc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000540037186 939046056 /nfs/dbraw/zinc/04/60/56/939046056.db2.gz VSOFMAXXNVVOSW-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1nc(S[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)[n-]c(=O)c1C ZINC000540714605 939346275 /nfs/dbraw/zinc/34/62/75/939346275.db2.gz YPMPZQQFLFSWLH-KCJUWKMLSA-N -1 1 402.545 4.487 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)cc1Cl ZINC000541305934 939490277 /nfs/dbraw/zinc/49/02/77/939490277.db2.gz FMDONBPRSPCFIA-UHFFFAOYSA-N -1 1 418.849 4.165 20 0 HIADMM O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1ccc([O-])c(Cl)c1 ZINC000541887431 939649427 /nfs/dbraw/zinc/64/94/27/939649427.db2.gz KIKZZAGEQKLGOW-UHFFFAOYSA-N -1 1 405.838 4.075 20 0 HIADMM O=C([O-])[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(Cl)c(F)c1 ZINC000577699385 939748678 /nfs/dbraw/zinc/74/86/78/939748678.db2.gz LEAFHRGTCPXECW-ZDUSSCGKSA-N -1 1 412.755 4.240 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)on1 ZINC000542315667 939798152 /nfs/dbraw/zinc/79/81/52/939798152.db2.gz ILDHZXHPTXMBRS-UHFFFAOYSA-N -1 1 421.744 4.473 20 0 HIADMM CS[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(C)(C)C ZINC000542367120 939808738 /nfs/dbraw/zinc/80/87/38/939808738.db2.gz JYSRWACHYLOAIA-GOSISDBHSA-N -1 1 424.563 4.134 20 0 HIADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000542417684 939817730 /nfs/dbraw/zinc/81/77/30/939817730.db2.gz GIFMUGQNONOOGU-OAHLLOKOSA-N -1 1 422.497 4.274 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C[C@H]2CC=CCC2)cc1 ZINC000542423794 939819826 /nfs/dbraw/zinc/81/98/26/939819826.db2.gz QYWUWQIPRYLADB-KRWDZBQOSA-N -1 1 416.518 4.363 20 0 HIADMM O=C(Nc1nccc2sccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000542490181 939832178 /nfs/dbraw/zinc/83/21/78/939832178.db2.gz ABJFNIGMKJIESI-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2C)cc1Cl ZINC000543020735 939896663 /nfs/dbraw/zinc/89/66/63/939896663.db2.gz CBXVJJNLMJWHJE-UHFFFAOYSA-N -1 1 402.697 4.414 20 0 HIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000543147359 939971088 /nfs/dbraw/zinc/97/10/88/939971088.db2.gz LYRLDNZGBUCJNO-UHFFFAOYSA-N -1 1 420.760 4.373 20 0 HIADMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)nn1[C@@H](C)C1CC1 ZINC000543311691 940025241 /nfs/dbraw/zinc/02/52/41/940025241.db2.gz OPZOIYZPFZOKJX-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000543609873 940130004 /nfs/dbraw/zinc/13/00/04/940130004.db2.gz VVFBTNOSWZJNOR-VGSWGCGISA-N -1 1 421.522 4.106 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(Cl)c1Cl ZINC000543660291 940153256 /nfs/dbraw/zinc/15/32/56/940153256.db2.gz MXJKKOSLSJJUNH-JTQLQIEISA-N -1 1 418.298 4.066 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1O ZINC000543714464 940169031 /nfs/dbraw/zinc/16/90/31/940169031.db2.gz WQPMMOWIJSNCOE-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c(=O)[n-]1 ZINC000543908492 940237992 /nfs/dbraw/zinc/23/79/92/940237992.db2.gz ODZZDNUGKCMUEV-UHFFFAOYSA-N -1 1 411.474 4.239 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)cc1Br ZINC000543951142 940266560 /nfs/dbraw/zinc/26/65/60/940266560.db2.gz RXJIKLCTJADJGG-UHFFFAOYSA-N -1 1 418.696 4.115 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1ccc(OCC(F)F)cc1 ZINC000544098640 940326311 /nfs/dbraw/zinc/32/63/11/940326311.db2.gz OKHYWBHULFBNSJ-UHFFFAOYSA-N -1 1 406.410 4.319 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccccc2OCC(C)C)no1 ZINC000544196521 940351030 /nfs/dbraw/zinc/35/10/30/940351030.db2.gz RLEVGNCSEUSURP-UHFFFAOYSA-N -1 1 417.469 4.228 20 0 HIADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)C2)cc1 ZINC000544317738 940388432 /nfs/dbraw/zinc/38/84/32/940388432.db2.gz BGYXKFKXQWSCHL-OAQYLSRUSA-N -1 1 420.534 4.426 20 0 HIADMM CCC[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000544566845 940480890 /nfs/dbraw/zinc/48/08/90/940480890.db2.gz LYAALTLFHHFXIO-IBGZPJMESA-N -1 1 404.507 4.421 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000544646714 940497808 /nfs/dbraw/zinc/49/78/08/940497808.db2.gz VLYBKWWJLSAYDG-UHFFFAOYSA-N -1 1 416.543 4.102 20 0 HIADMM CC(C)(C)c1ccc(-c2ccc(NC(=O)c3cc(=O)n4[n-]cnc4n3)c(Cl)c2)cc1 ZINC000544738242 940509310 /nfs/dbraw/zinc/50/93/10/940509310.db2.gz VAWNDANMDXWOJV-UHFFFAOYSA-N -1 1 421.888 4.288 20 0 HIADMM Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)n2)cn1 ZINC000544951034 940527601 /nfs/dbraw/zinc/52/76/01/940527601.db2.gz LJMDYCHJADRNNE-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM CCSCc1noc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)n1 ZINC000544973914 940530032 /nfs/dbraw/zinc/53/00/32/940530032.db2.gz CAFVKKCIZRCBMS-UHFFFAOYSA-N -1 1 411.455 4.069 20 0 HIADMM CCSCc1noc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n1 ZINC000544975549 940530069 /nfs/dbraw/zinc/53/00/69/940530069.db2.gz YHGLZUJAJOCRKW-UHFFFAOYSA-N -1 1 403.529 4.407 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ncccc4C)no3)cc2)cc1 ZINC000545024563 940534606 /nfs/dbraw/zinc/53/46/06/940534606.db2.gz HNQMUHBWUABUIA-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(COC4CCCC4)no3)c2)cc1 ZINC000545064979 940538527 /nfs/dbraw/zinc/53/85/27/940538527.db2.gz JCKYSQWVPGCXPM-UHFFFAOYSA-N -1 1 413.499 4.305 20 0 HIADMM CCOc1cc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc(Cl)c1[O-] ZINC000545138682 940548466 /nfs/dbraw/zinc/54/84/66/940548466.db2.gz CCQJCKIUTPPEMK-LBPRGKRZSA-N -1 1 413.276 4.246 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(Br)cc(OC)c2)cc(Cl)c1[O-] ZINC000545141129 940549019 /nfs/dbraw/zinc/54/90/19/940549019.db2.gz BETMBJCWVPMSEE-UHFFFAOYSA-N -1 1 400.656 4.468 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc(Cl)c1[O-] ZINC000545169588 940553753 /nfs/dbraw/zinc/55/37/53/940553753.db2.gz AXFBCVCEQAYNII-UHFFFAOYSA-N -1 1 416.905 4.000 20 0 HIADMM Cc1coc(-c2cccc(NC(=O)c3ccc(I)c([O-])c3)c2)n1 ZINC000545458693 940570849 /nfs/dbraw/zinc/57/08/49/940570849.db2.gz LPAAYHVAIQBVKR-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM O=C(Nc1ccc(OCC2CC2)cc1)c1ccc(I)c([O-])c1 ZINC000545506370 940572370 /nfs/dbraw/zinc/57/23/70/940572370.db2.gz AATJBYJTAMXDLI-UHFFFAOYSA-N -1 1 409.223 4.038 20 0 HIADMM CC(C)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)n1 ZINC000545549325 940574350 /nfs/dbraw/zinc/57/43/50/940574350.db2.gz CMVRWCQZMTVBQU-UHFFFAOYSA-N -1 1 422.304 4.423 20 0 HIADMM CCS[C@H](C)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000545779326 940587455 /nfs/dbraw/zinc/58/74/55/940587455.db2.gz KJSCXUIGIIGUDE-GFCCVEGCSA-N -1 1 407.492 4.491 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc([C@H](C)c3ccncc3)no2)cc1 ZINC000545800225 940601552 /nfs/dbraw/zinc/60/15/52/940601552.db2.gz QGFHZRLUZBQXAB-MRXNPFEDSA-N -1 1 420.494 4.393 20 0 HIADMM CCc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)n1 ZINC000563984626 945335867 /nfs/dbraw/zinc/33/58/67/945335867.db2.gz RSAOEVHEOCDYIL-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM CCOc1cc(C(=O)NCCOc2ccc(Br)cc2)cc(Cl)c1[O-] ZINC000545877251 940649260 /nfs/dbraw/zinc/64/92/60/940649260.db2.gz GNHOACLTCVHWFZ-UHFFFAOYSA-N -1 1 414.683 4.016 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC)c2ccccc12 ZINC000546071783 940691561 /nfs/dbraw/zinc/69/15/61/940691561.db2.gz CTUGVYXQNSRTEX-UHFFFAOYSA-N -1 1 424.522 4.338 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)[C@@H](c2ccco2)C1 ZINC000546201125 940728508 /nfs/dbraw/zinc/72/85/08/940728508.db2.gz RIRMGDUUPKYKNO-SMDDNHRTSA-N -1 1 411.239 4.203 20 0 HIADMM O=C(NC/C=C\c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546221628 940734030 /nfs/dbraw/zinc/73/40/30/940734030.db2.gz GFGDUFMZFAXZRF-FLIBITNWSA-N -1 1 407.495 4.322 20 0 HIADMM COc1ccccc1Cc1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000546259493 940751052 /nfs/dbraw/zinc/75/10/52/940751052.db2.gz UAZQRRZZLZLADA-UHFFFAOYSA-N -1 1 421.478 4.137 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@H]3Cc4ccccc43)no2)cc1)c1ccccc1 ZINC000546295472 940768536 /nfs/dbraw/zinc/76/85/36/940768536.db2.gz YKNUOOABXFOYOI-FQEVSTJZSA-N -1 1 403.463 4.225 20 0 HIADMM CCCOc1cccc(-c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c1 ZINC000546370618 940803795 /nfs/dbraw/zinc/80/37/95/940803795.db2.gz USYNKCLUVSJDNY-UHFFFAOYSA-N -1 1 417.469 4.177 20 0 HIADMM Cc1cc(Cc2noc(-c3ccc(S(=O)(=O)[N-]c4cccc(C)c4C)cc3)n2)no1 ZINC000546439298 940820159 /nfs/dbraw/zinc/82/01/59/940820159.db2.gz QPKLICDYSIGKGM-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)cc(Cl)c1[O-] ZINC000546566461 940855157 /nfs/dbraw/zinc/85/51/57/940855157.db2.gz ZJJPUQVRQNWXAB-GASCZTMLSA-N -1 1 418.921 4.306 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)C(C)(C)C3)cc2)cc1 ZINC000546842525 940892757 /nfs/dbraw/zinc/89/27/57/940892757.db2.gz WTWMNGZHTANOHW-INIZCTEOSA-N -1 1 416.543 4.004 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(OC(C)(C)C)cc2)no1 ZINC000546990158 940944146 /nfs/dbraw/zinc/94/41/46/940944146.db2.gz YDFOVUZAIJGWPH-GFCCVEGCSA-N -1 1 407.517 4.015 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ncccc4C)no3)c2)c1 ZINC000547025950 940962968 /nfs/dbraw/zinc/96/29/68/940962968.db2.gz ZHZZUJMTCYINAL-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1cc(C)nc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)c1 ZINC000547151048 941012427 /nfs/dbraw/zinc/01/24/27/941012427.db2.gz OGOPZWMOTMJRQE-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM CC[C@@H](C)Oc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000547164107 941017316 /nfs/dbraw/zinc/01/73/16/941017316.db2.gz VEFZMENDXKQSFN-OLZOCXBDSA-N -1 1 407.517 4.015 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@H]4CCO[C@@H](C)C4)no3)cc2)cc1 ZINC000547211432 941033749 /nfs/dbraw/zinc/03/37/49/941033749.db2.gz QKQLTYKVIDCDHC-RDJZCZTQSA-N -1 1 413.499 4.128 20 0 HIADMM COC1(c2noc(-c3cccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)c3)n2)CCC1 ZINC000547221840 941036586 /nfs/dbraw/zinc/03/65/86/941036586.db2.gz NJUBKJOCJWKTJW-UHFFFAOYSA-N -1 1 417.462 4.011 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc(Cl)c1[O-] ZINC000547261785 941046351 /nfs/dbraw/zinc/04/63/51/941046351.db2.gz FAUJZZDQBBPQSP-IBGZPJMESA-N -1 1 400.837 4.498 20 0 HIADMM CCOc1cc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc(Cl)c1[O-] ZINC000547289663 941053001 /nfs/dbraw/zinc/05/30/01/941053001.db2.gz GCUJHEAPLJKDCI-UHFFFAOYSA-N -1 1 403.784 4.272 20 0 HIADMM O=C(Nc1cccc2cc[nH]c21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000547494879 941065570 /nfs/dbraw/zinc/06/55/70/941065570.db2.gz PHFBTNASFJDCNJ-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000547553115 941068402 /nfs/dbraw/zinc/06/84/02/941068402.db2.gz BMXIHVFXJNDPSV-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(Br)c(Cl)c1Cl ZINC000547702984 941072487 /nfs/dbraw/zinc/07/24/87/941072487.db2.gz RDYBVBBLSZRQLK-UHFFFAOYSA-N -1 1 415.067 4.401 20 0 HIADMM O=C([O-])[C@@]1(NCc2cc(Br)c(Cl)s2)CCc2c1cccc2F ZINC000551056018 941401857 /nfs/dbraw/zinc/40/18/57/941401857.db2.gz ZNCQRNQTQQIYDK-OAHLLOKOSA-N -1 1 404.688 4.319 20 0 HIADMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3Br)cc2)n1 ZINC000551456604 941483684 /nfs/dbraw/zinc/48/36/84/941483684.db2.gz MSFYUBOVFLKQMU-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)n[n-]1 ZINC000552008280 941568028 /nfs/dbraw/zinc/56/80/28/941568028.db2.gz RKEOPCQTOQJEKO-UFYCRDLUSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)[n-]1 ZINC000552008280 941568034 /nfs/dbraw/zinc/56/80/34/941568034.db2.gz RKEOPCQTOQJEKO-UFYCRDLUSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)n1 ZINC000552008280 941568039 /nfs/dbraw/zinc/56/80/39/941568039.db2.gz RKEOPCQTOQJEKO-UFYCRDLUSA-N -1 1 420.513 4.142 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc(-c2ccco2)[nH]c1=O ZINC000552022612 941569936 /nfs/dbraw/zinc/56/99/36/941569936.db2.gz PQENQPMNKQQBJU-UHFFFAOYSA-N -1 1 409.623 4.421 20 0 HIADMM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)C1 ZINC000552025696 941569993 /nfs/dbraw/zinc/56/99/93/941569993.db2.gz HYZHXFHTEVZKGT-SNVBAGLBSA-N -1 1 417.731 4.031 20 0 HIADMM Cc1n[nH]c2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc12 ZINC000552470185 941680195 /nfs/dbraw/zinc/68/01/95/941680195.db2.gz DEPRFLUIKCUZTL-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CCc1csc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC000552482931 941683582 /nfs/dbraw/zinc/68/35/82/941683582.db2.gz JDLZUFCTEZECEA-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM Cc1cc(N2CCCCCC2)ccc1NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000552958000 941808345 /nfs/dbraw/zinc/80/83/45/941808345.db2.gz XHGOBSLMEBAUCW-UHFFFAOYSA-N -1 1 421.545 4.312 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000553174977 941844614 /nfs/dbraw/zinc/84/46/14/941844614.db2.gz NWAVFLSRHLOTSQ-IERDGZPVSA-N -1 1 402.498 4.095 20 0 HIADMM Cc1ccc(C(=O)N[C@H]2CCCSC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000553197491 941847987 /nfs/dbraw/zinc/84/79/87/941847987.db2.gz MSEHSMFTARAXCI-KRWDZBQOSA-N -1 1 424.975 4.075 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(N3CCCCCC3)cc2C)c1 ZINC000553295924 941862606 /nfs/dbraw/zinc/86/26/06/941862606.db2.gz YFGKAWILMVJTBZ-UHFFFAOYSA-N -1 1 415.559 4.308 20 0 HIADMM Cc1ccc2[nH]c(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)nc2c1 ZINC000553473687 941891044 /nfs/dbraw/zinc/89/10/44/941891044.db2.gz PVXJSBXPYASWNU-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)[nH]c2c1 ZINC000553473687 941891045 /nfs/dbraw/zinc/89/10/45/941891045.db2.gz PVXJSBXPYASWNU-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000554862131 942296398 /nfs/dbraw/zinc/29/63/98/942296398.db2.gz COJYJHUSNDZXIX-LBPRGKRZSA-N -1 1 419.815 4.394 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000555022976 942360593 /nfs/dbraw/zinc/36/05/93/942360593.db2.gz WRWBOVGQPXLECY-UHFFFAOYSA-N -1 1 409.396 4.305 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)c1 ZINC000555127255 942394468 /nfs/dbraw/zinc/39/44/68/942394468.db2.gz NSPBNZTZRWPUMR-UHFFFAOYSA-N -1 1 420.874 4.133 20 0 HIADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000555139710 942400173 /nfs/dbraw/zinc/40/01/73/942400173.db2.gz IZSULRGAKBCGSA-UHFFFAOYSA-N -1 1 403.729 4.278 20 0 HIADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1ccc(Br)c(Cl)c1Cl ZINC000556305705 942837198 /nfs/dbraw/zinc/83/71/98/942837198.db2.gz VORGYPPKLTXDTG-UHFFFAOYSA-N -1 1 411.108 4.157 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(C2(c3ccccc3F)CCCC2)no1 ZINC000556328990 942842556 /nfs/dbraw/zinc/84/25/56/942842556.db2.gz XSNPIENLTZHXJC-CYBMUJFWSA-N -1 1 421.519 4.170 20 0 HIADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000556375056 942851872 /nfs/dbraw/zinc/85/18/72/942851872.db2.gz IOBTUYMJQREEBB-SECBINFHSA-N -1 1 408.667 4.358 20 0 HIADMM CC(C)(C)c1noc(CCCC(=O)Nc2c([O-])cc(Br)cc2Cl)n1 ZINC000556850475 942939653 /nfs/dbraw/zinc/93/96/53/942939653.db2.gz ZKTPLSBZRVHJES-UHFFFAOYSA-N -1 1 416.703 4.450 20 0 HIADMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000557346850 943080675 /nfs/dbraw/zinc/08/06/75/943080675.db2.gz SMUYOFHBHKRPGL-UHFFFAOYSA-N -1 1 423.785 4.335 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000557882580 943319898 /nfs/dbraw/zinc/31/98/98/943319898.db2.gz QPBOKZPCJPUVQF-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](F)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000557951164 943338314 /nfs/dbraw/zinc/33/83/14/943338314.db2.gz JMKHMNKUNDSMCV-JKSUJKDBSA-N -1 1 410.898 4.070 20 0 HIADMM O=C(NC[C@@H]1CCCSC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000557984934 943346730 /nfs/dbraw/zinc/34/67/30/943346730.db2.gz FDLZNXLLLHJUCG-AWEZNQCLSA-N -1 1 424.975 4.014 20 0 HIADMM O=C(Nc1cc(F)cc(F)c1F)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000558241256 943453750 /nfs/dbraw/zinc/45/37/50/943453750.db2.gz YHUGDQQEWSRXRY-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM COc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000558382296 943536993 /nfs/dbraw/zinc/53/69/93/943536993.db2.gz QXMIUTAIMJVMRZ-KXBFYZLASA-N -1 1 417.531 4.072 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccoc1C(F)(F)F ZINC000558514113 943583019 /nfs/dbraw/zinc/58/30/19/943583019.db2.gz YTQMBMLWVBDHTL-UHFFFAOYSA-N -1 1 424.400 4.029 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c1 ZINC000558593635 943611832 /nfs/dbraw/zinc/61/18/32/943611832.db2.gz SMPVHFTWKOBFCE-UHFFFAOYSA-N -1 1 404.875 4.475 20 0 HIADMM CC(C)(CNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)C(F)(F)F ZINC000558689718 943628868 /nfs/dbraw/zinc/62/88/68/943628868.db2.gz SAGZSLUIQAPDAE-UHFFFAOYSA-N -1 1 409.380 4.161 20 0 HIADMM CC(C)(CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(F)(F)F ZINC000558752951 943643772 /nfs/dbraw/zinc/64/37/72/943643772.db2.gz APQIFIBJNRMTMP-UHFFFAOYSA-N -1 1 415.437 4.197 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@@H]1CC2CCC1CC2 ZINC000559509527 943989966 /nfs/dbraw/zinc/98/99/66/943989966.db2.gz YBKMAUYXTJFRGQ-RKOYOZNISA-N -1 1 412.555 4.272 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cnn(C(C)C)c2)c1 ZINC000559713031 944034863 /nfs/dbraw/zinc/03/48/63/944034863.db2.gz YQBDTQRVWVOOMI-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c2ccccc2n1C ZINC000560014441 944129921 /nfs/dbraw/zinc/12/99/21/944129921.db2.gz YMYUKVFPBMMMTN-UHFFFAOYSA-N -1 1 414.527 4.093 20 0 HIADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H](C)c2ccc3ccccc3c2)n[n-]1 ZINC000560427155 944230176 /nfs/dbraw/zinc/23/01/76/944230176.db2.gz GNFOAHDRFBELBO-HNAYVOBHSA-N -1 1 408.502 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H](C)c2ccc3ccccc3c2)[n-]1 ZINC000560427155 944230184 /nfs/dbraw/zinc/23/01/84/944230184.db2.gz GNFOAHDRFBELBO-HNAYVOBHSA-N -1 1 408.502 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000560427155 944230188 /nfs/dbraw/zinc/23/01/88/944230188.db2.gz GNFOAHDRFBELBO-HNAYVOBHSA-N -1 1 408.502 4.142 20 0 HIADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc4nc(C(F)F)sc4c3)cc21 ZINC000560447778 944232391 /nfs/dbraw/zinc/23/23/91/944232391.db2.gz KVCVOIBVXSCLLW-UHFFFAOYSA-N -1 1 423.466 4.264 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000560459318 944234123 /nfs/dbraw/zinc/23/41/23/944234123.db2.gz YCJVENMCGNNXPT-UHFFFAOYSA-N -1 1 414.266 4.005 20 0 HIADMM COc1cccc(CO[C@H](C)C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000560504032 944239427 /nfs/dbraw/zinc/23/94/27/944239427.db2.gz YYNBXPQVWWJESE-SNVBAGLBSA-N -1 1 414.683 4.361 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000561255168 944530738 /nfs/dbraw/zinc/53/07/38/944530738.db2.gz GUQUBUMXLJJQLV-QGZVFWFLSA-N -1 1 402.498 4.237 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)cc(F)c2F)cc1 ZINC000562040496 944907162 /nfs/dbraw/zinc/90/71/62/944907162.db2.gz SOUVMVMIWJFZMZ-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000562207971 945019392 /nfs/dbraw/zinc/01/93/92/945019392.db2.gz SUMXUVVTRLILRH-INIZCTEOSA-N -1 1 401.768 4.158 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)ccc1C(F)(F)F ZINC000562227127 945032318 /nfs/dbraw/zinc/03/23/18/945032318.db2.gz PZKSDOCKDVNAGF-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM Cc1ccc([C@H](c2noc(Cc3c(C)nc(-c4ccncc4)[n-]c3=O)n2)C(C)C)cc1 ZINC000564280423 945493271 /nfs/dbraw/zinc/49/32/71/945493271.db2.gz CWRMWOVCGBXVAI-OAQYLSRUSA-N -1 1 415.497 4.210 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N(CCc1ccccc1)Cc1ccncc1 ZINC000565673061 945864440 /nfs/dbraw/zinc/86/44/40/945864440.db2.gz KSSDPRCTRJYXGJ-UHFFFAOYSA-N -1 1 411.299 4.435 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc4c(cn3)CCC4)cc2)c1C ZINC000565736503 945874636 /nfs/dbraw/zinc/87/46/36/945874636.db2.gz GRPDWPVLGMLLPQ-UHFFFAOYSA-N -1 1 421.522 4.240 20 0 HIADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(Cl)c3Br)[nH]n2)o1 ZINC000566820139 946113526 /nfs/dbraw/zinc/11/35/26/946113526.db2.gz JWNAHOCBSFBPHX-UHFFFAOYSA-N -1 1 416.684 4.195 20 0 HIADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC000566829210 946122454 /nfs/dbraw/zinc/12/24/54/946122454.db2.gz IKGVENCPSHYGNZ-UHFFFAOYSA-N -1 1 416.886 4.293 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)c1 ZINC000567510180 946354808 /nfs/dbraw/zinc/35/48/08/946354808.db2.gz SBQZBZPSXLQQBI-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CC[C@@H](CC2CC2)C1 ZINC000568313785 946501053 /nfs/dbraw/zinc/50/10/53/946501053.db2.gz CFSNPSZMMDFLHZ-HNNXBMFYSA-N -1 1 420.481 4.028 20 0 HIADMM Cc1cccc(N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c1 ZINC000568787096 946687975 /nfs/dbraw/zinc/68/79/75/946687975.db2.gz USVGJPSDMKAALD-UHFFFAOYSA-N -1 1 416.449 4.351 20 0 HIADMM Cc1ccc(NC(=O)Cc2cnccc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000569152850 946825236 /nfs/dbraw/zinc/82/52/36/946825236.db2.gz SXYZDVTWUGHKOV-UHFFFAOYSA-N -1 1 415.902 4.025 20 0 HIADMM O=C(Nc1cc2c(cn1)CCC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000569378851 946862712 /nfs/dbraw/zinc/86/27/12/946862712.db2.gz DQJFMWSPMGSJJK-UHFFFAOYSA-N -1 1 418.678 4.080 20 0 HIADMM O=C1[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000569394553 946865790 /nfs/dbraw/zinc/86/57/90/946865790.db2.gz CLKOUJKTSVUEKU-LLVKDONJSA-N -1 1 405.348 4.036 20 0 HIADMM O=C1NCc2c1cccc2[N-]S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000569656792 946929648 /nfs/dbraw/zinc/92/96/48/946929648.db2.gz RCJPLHSJBZJJTQ-UHFFFAOYSA-N -1 1 414.870 4.177 20 0 HIADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(CSC3CCCC3)c2)c1 ZINC000569866367 947024382 /nfs/dbraw/zinc/02/43/82/947024382.db2.gz HDJUSYSVGYIWDX-UHFFFAOYSA-N -1 1 419.568 4.379 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccn4)cc3)cc2F)c1 ZINC000569866709 947026140 /nfs/dbraw/zinc/02/61/40/947026140.db2.gz VMFVBASWOVTHIU-UHFFFAOYSA-N -1 1 408.458 4.183 20 0 HIADMM COCCCOc1cccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000570075020 947086345 /nfs/dbraw/zinc/08/63/45/947086345.db2.gz DBFQDPZUPSQOCF-UHFFFAOYSA-N -1 1 414.683 4.476 20 0 HIADMM Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000570237212 947158351 /nfs/dbraw/zinc/15/83/51/947158351.db2.gz PLFNRMSPKARFSW-UHFFFAOYSA-N -1 1 415.492 4.099 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccn(C)c4)no3)cc2)c1 ZINC000570603400 947312064 /nfs/dbraw/zinc/31/20/64/947312064.db2.gz DGPJFSZMQBUYPH-UHFFFAOYSA-N -1 1 408.483 4.160 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000571574043 947707930 /nfs/dbraw/zinc/70/79/30/947707930.db2.gz GNKUNWFQIAWYJV-LJQANCHMSA-N -1 1 423.441 4.087 20 0 HIADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C2CCC(c3ccccc3)CC2)n[n-]1 ZINC000571803912 947790838 /nfs/dbraw/zinc/79/08/38/947790838.db2.gz YLYKWXNZDDXRDW-CTWPCTMYSA-N -1 1 412.534 4.159 20 0 HIADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C2CCC(c3ccccc3)CC2)[n-]1 ZINC000571803912 947790843 /nfs/dbraw/zinc/79/08/43/947790843.db2.gz YLYKWXNZDDXRDW-CTWPCTMYSA-N -1 1 412.534 4.159 20 0 HIADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C2CCC(c3ccccc3)CC2)n1 ZINC000571803912 947790851 /nfs/dbraw/zinc/79/08/51/947790851.db2.gz YLYKWXNZDDXRDW-CTWPCTMYSA-N -1 1 412.534 4.159 20 0 HIADMM O=S(=O)([N-]c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(C(F)F)cc1 ZINC000571953674 947820431 /nfs/dbraw/zinc/82/04/31/947820431.db2.gz RKCPNSNIIUNKCJ-UHFFFAOYSA-N -1 1 415.483 4.141 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)c1 ZINC000572808390 948018047 /nfs/dbraw/zinc/01/80/47/948018047.db2.gz GCQBDPQGQKVMFT-UHFFFAOYSA-N -1 1 405.907 4.431 20 0 HIADMM Cc1ccccc1CS(=O)(=O)[N-]c1noc(-c2ccccc2)c1Br ZINC000572826802 948020351 /nfs/dbraw/zinc/02/03/51/948020351.db2.gz BLPNCZUGRGSSPO-UHFFFAOYSA-N -1 1 407.289 4.354 20 0 HIADMM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000573590855 948244202 /nfs/dbraw/zinc/24/42/02/948244202.db2.gz QLSULQTVEKQFKS-CYBMUJFWSA-N -1 1 402.210 4.306 20 0 HIADMM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)cc1)c1cc(Cl)sc1Cl ZINC000574302334 948406330 /nfs/dbraw/zinc/40/63/30/948406330.db2.gz XGJXMKNSZWECEN-SNVBAGLBSA-N -1 1 400.736 4.110 20 0 HIADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000574715543 948510353 /nfs/dbraw/zinc/51/03/53/948510353.db2.gz BGMOMKINFMYDOZ-IBGZPJMESA-N -1 1 422.506 4.244 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(Cc4cccnc4)no3)c2)c1 ZINC000574776445 948523934 /nfs/dbraw/zinc/52/39/34/948523934.db2.gz WPNPPOYNKBAJEO-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2Cl)s1 ZINC000436010211 861301615 /nfs/dbraw/zinc/30/16/15/861301615.db2.gz XDUPDLQEXCSOID-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000436161117 861461994 /nfs/dbraw/zinc/46/19/94/861461994.db2.gz NQBGISQPUWUUAT-ZDUSSCGKSA-N -1 1 412.433 4.131 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000436205058 861505261 /nfs/dbraw/zinc/50/52/61/861505261.db2.gz CRYFGILGEXJFBO-OAQYLSRUSA-N -1 1 411.502 4.224 20 0 HIADMM O=C(Nc1ccc(F)cc1F)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000005204116 845088474 /nfs/dbraw/zinc/08/84/74/845088474.db2.gz GRYMUEGLTGHEHL-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)c1C ZINC000006178224 845181326 /nfs/dbraw/zinc/18/13/26/845181326.db2.gz CFFILMUPDFNLHR-OXJNMPFZSA-N -1 1 400.544 4.413 20 0 HIADMM O=C(COC(=O)CSc1cccc2cccc(Cl)c21)[N-]C(=O)c1ccccc1 ZINC000006485998 845204517 /nfs/dbraw/zinc/20/45/17/845204517.db2.gz HMZRPQNUIPHEBG-UHFFFAOYSA-N -1 1 413.882 4.085 20 0 HIADMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000007057105 845244138 /nfs/dbraw/zinc/24/41/38/845244138.db2.gz LPAUGRWTDHXOOV-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)cc1 ZINC000007127564 845259991 /nfs/dbraw/zinc/25/99/91/845259991.db2.gz MUKMPSWRHBDGLU-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CCN(Cc1cccs1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000007230665 845290406 /nfs/dbraw/zinc/29/04/06/845290406.db2.gz TYNKWWYLEXWIHQ-UHFFFAOYSA-N -1 1 400.525 4.211 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2nnc(-c3ccccc3Br)o2)n1 ZINC000007654245 845384037 /nfs/dbraw/zinc/38/40/37/845384037.db2.gz MDEGULVGBFWUCW-UHFFFAOYSA-N -1 1 407.293 4.240 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3SCc3ccccc3)ccc2N1 ZINC000007709868 845394852 /nfs/dbraw/zinc/39/48/52/845394852.db2.gz PGBSGEZMJRFSBT-UHFFFAOYSA-N -1 1 410.520 4.274 20 0 HIADMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000007850152 845430235 /nfs/dbraw/zinc/43/02/35/845430235.db2.gz FMFFVNQCPBKNHP-LJQANCHMSA-N -1 1 409.511 4.291 20 0 HIADMM Cc1ccsc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000007898144 845443501 /nfs/dbraw/zinc/44/35/01/845443501.db2.gz IZXSXFZMZBBBHW-UHFFFAOYSA-N -1 1 400.525 4.130 20 0 HIADMM C[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000008033501 845465596 /nfs/dbraw/zinc/46/55/96/845465596.db2.gz OJUWCPXOIKAZHU-MRXNPFEDSA-N -1 1 412.486 4.160 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCC[C@@H]3C)c2)cc1 ZINC000008033591 845465903 /nfs/dbraw/zinc/46/59/03/845465903.db2.gz XSMSLELNRUIKDA-HRAATJIYSA-N -1 1 416.543 4.195 20 0 HIADMM Cc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008240445 845495694 /nfs/dbraw/zinc/49/56/94/845495694.db2.gz HYZCEUSLIYSFDS-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1 ZINC000008287211 845507058 /nfs/dbraw/zinc/50/70/58/845507058.db2.gz FMOLUMFZAFGXNY-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000008291675 845509542 /nfs/dbraw/zinc/50/95/42/845509542.db2.gz OGBXTSRBUIOEHY-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CC(C)NC(=S)N[N-]C(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000010370502 845651356 /nfs/dbraw/zinc/65/13/56/845651356.db2.gz BGRRSUPSBIQDQW-UHFFFAOYSA-N -1 1 417.531 4.137 20 0 HIADMM CCN(Cc1cccs1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010432609 845660166 /nfs/dbraw/zinc/66/01/66/845660166.db2.gz LZGCQLGHEYBKNI-UHFFFAOYSA-N -1 1 400.525 4.211 20 0 HIADMM CCc1cncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000436288575 861594222 /nfs/dbraw/zinc/59/42/22/861594222.db2.gz KVIDAJPSFNNANZ-UHFFFAOYSA-N -1 1 415.902 4.351 20 0 HIADMM O=C(Nc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1)c1ccco1 ZINC000011361899 845785250 /nfs/dbraw/zinc/78/52/50/845785250.db2.gz YSNVAZLROVSYMU-UHFFFAOYSA-N -1 1 401.216 4.252 20 0 HIADMM COc1cc(OC)c(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1Cl ZINC000011603841 845816875 /nfs/dbraw/zinc/81/68/75/845816875.db2.gz QQJUBYSQCBJWJN-UHFFFAOYSA-N -1 1 424.935 4.369 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(OC)c2)cc1 ZINC000012651459 845882088 /nfs/dbraw/zinc/88/20/88/845882088.db2.gz AASLJZTYPJLIJU-OAHLLOKOSA-N -1 1 402.516 4.136 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1Cl ZINC000012737639 845887893 /nfs/dbraw/zinc/88/78/93/845887893.db2.gz VPMRZIQIFYAUJX-UHFFFAOYSA-N -1 1 421.935 4.310 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000015339960 846036857 /nfs/dbraw/zinc/03/68/57/846036857.db2.gz GZUHAHIHWVMNDQ-KRWDZBQOSA-N -1 1 424.522 4.377 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000015349156 846037875 /nfs/dbraw/zinc/03/78/75/846037875.db2.gz SAUCXSPSVVGDDJ-UHFFFAOYSA-N -1 1 400.887 4.417 20 0 HIADMM COc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000015352953 846038990 /nfs/dbraw/zinc/03/89/90/846038990.db2.gz XAUIUTSRYCNPFQ-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000015434091 846048456 /nfs/dbraw/zinc/04/84/56/846048456.db2.gz YQRGZFSVNPXYHF-HUUCEWRRSA-N -1 1 404.507 4.053 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)cc1 ZINC000015615862 846074421 /nfs/dbraw/zinc/07/44/21/846074421.db2.gz DBRMXJOXCGTLJU-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc(F)c1 ZINC000015744220 846089118 /nfs/dbraw/zinc/08/91/18/846089118.db2.gz FHWVPZLKLRBSHM-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=C(Cc1ccccc1F)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015744218 846089157 /nfs/dbraw/zinc/08/91/57/846089157.db2.gz XBECTBSISDUVJP-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)ccc1F ZINC000015797323 846092065 /nfs/dbraw/zinc/09/20/65/846092065.db2.gz XUPGUJGVHOHZFW-JLTOFOAXSA-N -1 1 404.507 4.243 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccc(C)cc3)cc2)cc1 ZINC000015896895 846101741 /nfs/dbraw/zinc/10/17/41/846101741.db2.gz SLPXXPCRAMPHKB-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OC ZINC000015892075 846101988 /nfs/dbraw/zinc/10/19/88/846101988.db2.gz RESCKRRWTFKRCL-VNKDHWASSA-N -1 1 406.891 4.220 20 0 HIADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016265564 846144171 /nfs/dbraw/zinc/14/41/71/846144171.db2.gz JRAYXRWDXOYEEZ-INIZCTEOSA-N -1 1 412.486 4.460 20 0 HIADMM CC(C)c1ccc(NC(=S)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cc1 ZINC000016275498 846145957 /nfs/dbraw/zinc/14/59/57/846145957.db2.gz RFCZBHIHRZQIGL-UHFFFAOYSA-N -1 1 419.572 4.109 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000017156119 846233994 /nfs/dbraw/zinc/23/39/94/846233994.db2.gz XSRIDFOTINUTOM-MRXNPFEDSA-N -1 1 410.543 4.144 20 0 HIADMM COCc1cccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1 ZINC000017165865 846234575 /nfs/dbraw/zinc/23/45/75/846234575.db2.gz BVXDQDPUBJTXFV-UHFFFAOYSA-N -1 1 406.463 4.155 20 0 HIADMM Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[N-]NC(=O)c3ccccc3)cc12 ZINC000017170323 846236053 /nfs/dbraw/zinc/23/60/53/846236053.db2.gz IYVKIYJSVAFWFQ-UHFFFAOYSA-N -1 1 424.913 4.183 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000017324079 846246748 /nfs/dbraw/zinc/24/67/48/846246748.db2.gz PBGJLLRNFSOGML-UHFFFAOYSA-N -1 1 416.934 4.366 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)ccc1F ZINC000017357110 846249504 /nfs/dbraw/zinc/24/95/04/846249504.db2.gz OQXCKDXIEYVBLF-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM O=C(COC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)[N-]C(=O)c1ccccc1 ZINC000017543671 846258473 /nfs/dbraw/zinc/25/84/73/846258473.db2.gz PVXJOIQFCQDUPF-UHFFFAOYSA-N -1 1 423.852 4.032 20 0 HIADMM CN(Cc1ccco1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000017791323 846269292 /nfs/dbraw/zinc/26/92/92/846269292.db2.gz YJHHXZCNNODOQA-UHFFFAOYSA-N -1 1 422.865 4.145 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3cccs3)cc2)c1C ZINC000017909794 846276125 /nfs/dbraw/zinc/27/61/25/846276125.db2.gz VBHFNVHBRHGYTK-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000018016675 846284236 /nfs/dbraw/zinc/28/42/36/846284236.db2.gz GAXYRAPEFZUORT-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM CCOc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000018074208 846290747 /nfs/dbraw/zinc/29/07/47/846290747.db2.gz AHIADWOLKXSGNA-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1C ZINC000018100204 846296580 /nfs/dbraw/zinc/29/65/80/846296580.db2.gz CVYJRWONQDZDSV-IYBDPMFKSA-N -1 1 400.544 4.222 20 0 HIADMM CC1CCC(N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000018147681 846303385 /nfs/dbraw/zinc/30/33/85/846303385.db2.gz XZLFRBMXEDUYDQ-UHFFFAOYSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCCSCc2ccccc2F)c1 ZINC000018160734 846304139 /nfs/dbraw/zinc/30/41/39/846304139.db2.gz GGZCYMYFRWWJPE-UHFFFAOYSA-N -1 1 416.547 4.105 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)CCc3ccco3)cc2)cc1 ZINC000019620565 846370017 /nfs/dbraw/zinc/37/00/17/846370017.db2.gz RTYRMBCFWLWSCT-QGZVFWFLSA-N -1 1 412.511 4.140 20 0 HIADMM O=C1C(=Cc2ccc([O-])c(Br)c2)NC(=S)N1c1ccccc1Cl ZINC000020670373 846387902 /nfs/dbraw/zinc/38/79/02/846387902.db2.gz IZZQBHZIOHVAPR-WQLSENKSSA-N -1 1 409.692 4.070 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(CCc3ccc(C)cc3)CC2)c(=O)[n-]1 ZINC000021128416 846406423 /nfs/dbraw/zinc/40/64/23/846406423.db2.gz OECLQOHCDYHGSI-UHFFFAOYSA-N -1 1 413.587 4.325 20 0 HIADMM CCCN(CCC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000021221253 846418986 /nfs/dbraw/zinc/41/89/86/846418986.db2.gz MPTGZKSNTSSLGO-UHFFFAOYSA-N -1 1 404.532 4.148 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)cc1 ZINC000436355989 861681830 /nfs/dbraw/zinc/68/18/30/861681830.db2.gz FLRLMKKCTPFCRQ-SJORKVTESA-N -1 1 416.543 4.147 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000021863964 846504589 /nfs/dbraw/zinc/50/45/89/846504589.db2.gz NBUJKXFAVMQTMG-INIZCTEOSA-N -1 1 403.891 4.096 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3cccc4ccccc43)s2)cc1 ZINC000021863955 846504727 /nfs/dbraw/zinc/50/47/27/846504727.db2.gz IRGIFTIVUWNJJF-IBGZPJMESA-N -1 1 405.479 4.287 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(Cc1ccccc1F)C1CC1 ZINC000021934773 846512787 /nfs/dbraw/zinc/51/27/87/846512787.db2.gz CGQOVINFOMQZHE-UHFFFAOYSA-N -1 1 424.497 4.431 20 0 HIADMM O=S(=O)([N-]c1ccccc1SCC(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000022408400 846567548 /nfs/dbraw/zinc/56/75/48/846567548.db2.gz NACJUFFZMFWNAM-UHFFFAOYSA-N -1 1 419.446 4.303 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(F)cc2C)cc1 ZINC000022743726 846613658 /nfs/dbraw/zinc/61/36/58/846613658.db2.gz WGSAKHMSXKNIQD-UHFFFAOYSA-N -1 1 400.479 4.483 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@H](C)C#N)ccc2C)cc1 ZINC000023416919 846698548 /nfs/dbraw/zinc/69/85/48/846698548.db2.gz CZBWIRDJGBYWEB-MRXNPFEDSA-N -1 1 400.500 4.207 20 0 HIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000024431940 846823519 /nfs/dbraw/zinc/82/35/19/846823519.db2.gz TVQQNZCYRFWPNA-UHFFFAOYSA-N -1 1 411.867 4.034 20 0 HIADMM CC(C)(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000024787365 846867373 /nfs/dbraw/zinc/86/73/73/846867373.db2.gz LVISVEABGYDVPK-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000025424508 846977003 /nfs/dbraw/zinc/97/70/03/846977003.db2.gz YNTDUBKAUIGBBU-ZDUSSCGKSA-N -1 1 414.449 4.425 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CCC(C)C)cc2)cc1 ZINC000025514788 846991130 /nfs/dbraw/zinc/99/11/30/846991130.db2.gz MKAZZSZRVHWMCJ-INIZCTEOSA-N -1 1 416.543 4.245 20 0 HIADMM O=C(CC1CCCC1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000025599056 847005246 /nfs/dbraw/zinc/00/52/46/847005246.db2.gz QNAPKDXXFXYTKU-UHFFFAOYSA-N -1 1 408.907 4.365 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCC2CC2)c1 ZINC000026205850 847102333 /nfs/dbraw/zinc/10/23/33/847102333.db2.gz NSHXAVMOAGDHNC-UHFFFAOYSA-N -1 1 400.544 4.233 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000027155165 847257126 /nfs/dbraw/zinc/25/71/26/847257126.db2.gz PYRJKHLJIBJNFU-GOSISDBHSA-N -1 1 400.544 4.366 20 0 HIADMM CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000027470223 847308041 /nfs/dbraw/zinc/30/80/41/847308041.db2.gz DMHBGTFEKNPBMJ-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000027697429 847339953 /nfs/dbraw/zinc/33/99/53/847339953.db2.gz XGDOIHMZLAXJEX-LAUBAEHRSA-N -1 1 400.544 4.494 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000029237234 847528292 /nfs/dbraw/zinc/52/82/92/847528292.db2.gz IZDYWFYVPPTRBB-UHFFFAOYSA-N -1 1 416.449 4.432 20 0 HIADMM Cc1nc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)sc1C ZINC000029579708 847582966 /nfs/dbraw/zinc/58/29/66/847582966.db2.gz SCAGQXCTROOJRT-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)sc1C ZINC000029579741 847583386 /nfs/dbraw/zinc/58/33/86/847583386.db2.gz NKUFRVDZSHHIDR-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)c1C ZINC000029816800 847624937 /nfs/dbraw/zinc/62/49/37/847624937.db2.gz WAGNPRCZRLTCKC-UHFFFAOYSA-N -1 1 409.515 4.212 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)s1 ZINC000436475416 861819085 /nfs/dbraw/zinc/81/90/85/861819085.db2.gz GPBYSLMDEVAHAE-UHFFFAOYSA-N -1 1 407.344 4.252 20 0 HIADMM O=S(=O)([N-]CC1(c2ccccc2)CCOCC1)c1cc(Cl)sc1Cl ZINC000030426168 847715118 /nfs/dbraw/zinc/71/51/18/847715118.db2.gz QAFFMGRRCSJOTN-UHFFFAOYSA-N -1 1 406.356 4.082 20 0 HIADMM CCCN(C(=O)c1ccc(Br)cc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436495773 861823793 /nfs/dbraw/zinc/82/37/93/861823793.db2.gz OTTLYKLIHGDRGS-AWEZNQCLSA-N -1 1 419.319 4.424 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000436497996 861825933 /nfs/dbraw/zinc/82/59/33/861825933.db2.gz NTVGZXKYLKZSEN-NSHDSACASA-N -1 1 419.250 4.455 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c1 ZINC000436517386 861832124 /nfs/dbraw/zinc/83/21/24/861832124.db2.gz ZIXBFQPCJZXXIJ-UHFFFAOYSA-N -1 1 419.865 4.005 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000436520138 861832777 /nfs/dbraw/zinc/83/27/77/861832777.db2.gz TVLVKNGOBWAMEK-HNNXBMFYSA-N -1 1 403.434 4.152 20 0 HIADMM CCOCCOc1cc(C)ccc1CNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436528092 861835984 /nfs/dbraw/zinc/83/59/84/861835984.db2.gz VZMMHQYQFOPMDW-UHFFFAOYSA-N -1 1 407.894 4.098 20 0 HIADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000031384011 847872608 /nfs/dbraw/zinc/87/26/08/847872608.db2.gz OGDRVABTLLAFFO-IIBYNOLFSA-N -1 1 418.534 4.206 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000031382963 847873173 /nfs/dbraw/zinc/87/31/73/847873173.db2.gz VCNXAPMHOPYLCU-HRAATJIYSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1 ZINC000031421022 847882486 /nfs/dbraw/zinc/88/24/86/847882486.db2.gz GVLFVQDXZSINNA-UHFFFAOYSA-N -1 1 418.902 4.015 20 0 HIADMM O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436540363 861842429 /nfs/dbraw/zinc/84/24/29/861842429.db2.gz WSFVBAKAAWBLOX-ZDUSSCGKSA-N -1 1 406.251 4.029 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)cc1Cl ZINC000031553199 847907537 /nfs/dbraw/zinc/90/75/37/847907537.db2.gz MLQJVZJODKHARN-SNVBAGLBSA-N -1 1 419.330 4.154 20 0 HIADMM C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1)n1cccn1 ZINC000031612862 847917392 /nfs/dbraw/zinc/91/73/92/847917392.db2.gz BUAQKKGQCAURAO-HNNXBMFYSA-N -1 1 400.438 4.194 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000031666198 847925357 /nfs/dbraw/zinc/92/53/57/847925357.db2.gz KWNMIVXRCQUDKU-UHFFFAOYSA-N -1 1 416.934 4.434 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccco2)cc1 ZINC000031668135 847926677 /nfs/dbraw/zinc/92/66/77/847926677.db2.gz MAVDVWHLQPVFRY-UHFFFAOYSA-N -1 1 419.890 4.364 20 0 HIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1ccccc1I ZINC000436548745 861846376 /nfs/dbraw/zinc/84/63/76/861846376.db2.gz USYAJPQGCVYTRU-HNNXBMFYSA-N -1 1 411.214 4.113 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2ccnc(C)n2)c1 ZINC000031776622 847946753 /nfs/dbraw/zinc/94/67/53/847946753.db2.gz YYCJVZYESMNOQK-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3CCCC3)cc2)cc1 ZINC000031934359 847966843 /nfs/dbraw/zinc/96/68/43/847966843.db2.gz BDISVRQZXWLGHN-UHFFFAOYSA-N -1 1 416.543 4.196 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3c3cccnc3)c2)cc1 ZINC000031940813 847968081 /nfs/dbraw/zinc/96/80/81/847968081.db2.gz ODUVXYJJTOUMBJ-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM C[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1cccc(O)c1 ZINC000436568805 861855393 /nfs/dbraw/zinc/85/53/93/861855393.db2.gz ZNGZPHZEXFRZNV-LBPRGKRZSA-N -1 1 412.392 4.119 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4oc(C(C)C)nc4c3)cc2C[C@H]1C ZINC000032097680 847987043 /nfs/dbraw/zinc/98/70/43/847987043.db2.gz ABKMALGHEBJHLW-CYBMUJFWSA-N -1 1 413.499 4.050 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1C ZINC000032200119 847992555 /nfs/dbraw/zinc/99/25/55/847992555.db2.gz YBIADTZKKJKNJL-UHFFFAOYSA-N -1 1 417.918 4.348 20 0 HIADMM CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1 ZINC000032297515 847999392 /nfs/dbraw/zinc/99/93/92/847999392.db2.gz SUYXXWGFMGUWIZ-OAQYLSRUSA-N -1 1 409.511 4.010 20 0 HIADMM COc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1[N-]S(C)(=O)=O ZINC000032347917 848010323 /nfs/dbraw/zinc/01/03/23/848010323.db2.gz LGFLXHVGPWWWSE-UHFFFAOYSA-N -1 1 411.483 4.063 20 0 HIADMM O=S(=O)([N-]Cc1ccc(-c2nc3ccccc3s2)o1)c1cc(F)ccc1F ZINC000032440504 848026366 /nfs/dbraw/zinc/02/63/66/848026366.db2.gz GGWDYEQUSZQBQB-UHFFFAOYSA-N -1 1 406.435 4.313 20 0 HIADMM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436574305 861856910 /nfs/dbraw/zinc/85/69/10/861856910.db2.gz KJWQNJPPEDROKI-MRXNPFEDSA-N -1 1 422.447 4.199 20 0 HIADMM CC(C)c1nn(C)cc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436597398 861863012 /nfs/dbraw/zinc/86/30/12/861863012.db2.gz VELQOYBZIFMBFC-UHFFFAOYSA-N -1 1 414.412 4.032 20 0 HIADMM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1c(F)cccc1F ZINC000436581117 861858583 /nfs/dbraw/zinc/85/85/83/861858583.db2.gz IPUIRRRLMSZPMA-JLTOFOAXSA-N -1 1 424.447 4.306 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2C(F)(F)F)cc1Cl ZINC000032589571 848051521 /nfs/dbraw/zinc/05/15/21/848051521.db2.gz KYJSFIVNOYTJNM-UHFFFAOYSA-N -1 1 422.812 4.127 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1C ZINC000032590790 848051542 /nfs/dbraw/zinc/05/15/42/848051542.db2.gz STDAPJSOQWJXAH-UHFFFAOYSA-N -1 1 404.822 4.009 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)N3CCCC3)c2)cc1 ZINC000032628695 848055710 /nfs/dbraw/zinc/05/57/10/848055710.db2.gz QZKCGPPXINAYDK-QGZVFWFLSA-N -1 1 416.543 4.002 20 0 HIADMM COc1cc(NC2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc(OC)c1 ZINC000436586248 861860394 /nfs/dbraw/zinc/86/03/94/861860394.db2.gz SDDQZGVVCXJATC-UHFFFAOYSA-N -1 1 406.482 4.279 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436591182 861861519 /nfs/dbraw/zinc/86/15/19/861861519.db2.gz PPBNFCXFMUDOMS-YJYMSZOUSA-N -1 1 400.425 4.327 20 0 HIADMM O=C(Nc1ccc(-c2nc(Cc3cncs3)no2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436593105 861862474 /nfs/dbraw/zinc/86/24/74/861862474.db2.gz ADUDCVZELAARNL-UHFFFAOYSA-N -1 1 414.393 4.020 20 0 HIADMM O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436600763 861864946 /nfs/dbraw/zinc/86/49/46/861864946.db2.gz ICTBTIXCCNSQAB-JOCHJYFZSA-N -1 1 400.478 4.277 20 0 HIADMM COc1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)ccc1[N-]S(C)(=O)=O ZINC000033069749 848105186 /nfs/dbraw/zinc/10/51/86/848105186.db2.gz OKXRMCOHQQNXPR-UHFFFAOYSA-N -1 1 420.874 4.232 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3N(C)C)ccc2C)cc1 ZINC000033121964 848111561 /nfs/dbraw/zinc/11/15/61/848111561.db2.gz QTQPFHPFUPHGEY-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436607975 861867816 /nfs/dbraw/zinc/86/78/16/861867816.db2.gz SSJWUPNMXSMIMX-VGOFRKELSA-N -1 1 402.494 4.070 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)Cc3ccco3)c2)c1 ZINC000033206795 848125424 /nfs/dbraw/zinc/12/54/24/848125424.db2.gz MBPSOLSSMHAEGW-QGZVFWFLSA-N -1 1 412.511 4.058 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3c3cccnc3)c2)c1 ZINC000033238363 848131369 /nfs/dbraw/zinc/13/13/69/848131369.db2.gz WAPZZZXACFDJLV-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436610755 861869423 /nfs/dbraw/zinc/86/94/23/861869423.db2.gz XQMVHTZKCYZZSE-OAHLLOKOSA-N -1 1 410.367 4.230 20 0 HIADMM O=C(NCCOCC1CC1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436616085 861870672 /nfs/dbraw/zinc/87/06/72/861870672.db2.gz HBFNGTHFDWPNKR-UHFFFAOYSA-N -1 1 423.296 4.108 20 0 HIADMM C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000436618492 861871675 /nfs/dbraw/zinc/87/16/75/861871675.db2.gz RPRDNERIDDXISO-KSFYIVLOSA-N -1 1 420.484 4.209 20 0 HIADMM CCCCOC(=O)c1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000039548987 848187942 /nfs/dbraw/zinc/18/79/42/848187942.db2.gz DPPQODFUJNMIIZ-UHFFFAOYSA-N -1 1 416.528 4.265 20 0 HIADMM C[C@H]1C[C@@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCO1 ZINC000436634357 861876721 /nfs/dbraw/zinc/87/67/21/861876721.db2.gz KIQQABOHZOZPHQ-FZMZJTMJSA-N -1 1 423.296 4.249 20 0 HIADMM CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(=O)[n-]1 ZINC000041532968 848227532 /nfs/dbraw/zinc/22/75/32/848227532.db2.gz CURRTRCODAOOJW-OAHLLOKOSA-N -1 1 410.524 4.145 20 0 HIADMM O=C(c1cc(I)ccc1[O-])N1CCCCC[C@H]1c1ccncc1 ZINC000436672296 861889754 /nfs/dbraw/zinc/88/97/54/861889754.db2.gz MYNOTWYWVSJDOC-INIZCTEOSA-N -1 1 422.266 4.149 20 0 HIADMM O=C(Nc1ccc(C(=O)NCc2ccc(F)cc2F)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436681027 861892229 /nfs/dbraw/zinc/89/22/29/861892229.db2.gz PTOUFBHDVNPFPE-UHFFFAOYSA-N -1 1 418.346 4.131 20 0 HIADMM Cc1nc([C@H](NC(=O)c2cc(Br)ccc2[O-])c2ccc(Cl)cc2)no1 ZINC000436694597 861895801 /nfs/dbraw/zinc/89/58/01/861895801.db2.gz BBHVSDWXKLNCQD-OAHLLOKOSA-N -1 1 422.666 4.019 20 0 HIADMM O=C(NCc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1)Nc1ccccc1Cl ZINC000436703533 861897723 /nfs/dbraw/zinc/89/77/23/861897723.db2.gz LVYKLWPHSIDOBD-UHFFFAOYSA-N -1 1 423.856 4.189 20 0 HIADMM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(Cl)cc1[O-] ZINC000436722668 861908916 /nfs/dbraw/zinc/90/89/16/861908916.db2.gz LIVDGTPNTIDOST-UHFFFAOYSA-N -1 1 401.677 4.453 20 0 HIADMM O=S(=O)([N-]c1cccc(NC(=S)Nc2ccccc2F)c1)c1ccccc1 ZINC000044081117 848511323 /nfs/dbraw/zinc/51/13/23/848511323.db2.gz OMOQTVTYGUTYGM-UHFFFAOYSA-N -1 1 401.488 4.435 20 0 HIADMM CCN(Cc1ccccc1)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436739835 861923544 /nfs/dbraw/zinc/92/35/44/861923544.db2.gz XMEDYFVCQOCSFD-JOCHJYFZSA-N -1 1 402.494 4.199 20 0 HIADMM O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045065548 848630139 /nfs/dbraw/zinc/63/01/39/848630139.db2.gz YGORADXETWTIHV-UHFFFAOYSA-N -1 1 415.493 4.190 20 0 HIADMM C[C@H](c1ccccc1F)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000045193362 848646108 /nfs/dbraw/zinc/64/61/08/848646108.db2.gz LEQSROVEIMSKBF-MRXNPFEDSA-N -1 1 412.486 4.460 20 0 HIADMM CCOc1cc(-c2noc(CCc3ccc(O)cc3)n2)cc(Br)c1[O-] ZINC000436744293 861929078 /nfs/dbraw/zinc/92/90/78/861929078.db2.gz LGHSPAFVCYGLLE-UHFFFAOYSA-N -1 1 405.248 4.094 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC000045573887 848693786 /nfs/dbraw/zinc/69/37/86/848693786.db2.gz MAWFPCYMDPRSAQ-UHFFFAOYSA-N -1 1 400.407 4.206 20 0 HIADMM O=c1[nH]c(-c2ccc([O-])c(I)c2)nc2sc3c(c21)CCCC3 ZINC000436752090 861934321 /nfs/dbraw/zinc/93/43/21/861934321.db2.gz PKPVCWKZAAPKHG-UHFFFAOYSA-N -1 1 424.263 4.253 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3F)c([O-])c2)c1 ZINC000436751347 861935535 /nfs/dbraw/zinc/93/55/35/861935535.db2.gz KUHKXGLJVCDCAO-UHFFFAOYSA-N -1 1 410.401 4.053 20 0 HIADMM CCOc1cc(-c2noc(Cn3ncc4ccccc43)n2)cc(Br)c1[O-] ZINC000436755406 861942072 /nfs/dbraw/zinc/94/20/72/861942072.db2.gz MOMBKWVNQVCZCJ-UHFFFAOYSA-N -1 1 415.247 4.001 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000436757940 861945091 /nfs/dbraw/zinc/94/50/91/861945091.db2.gz WQOLCBOICNWQBX-NSHDSACASA-N -1 1 424.810 4.127 20 0 HIADMM CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000046463949 848854451 /nfs/dbraw/zinc/85/44/51/848854451.db2.gz LIFVMCOMZMVNTI-NSHDSACASA-N -1 1 401.315 4.323 20 0 HIADMM CCOCCN(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436761957 861951825 /nfs/dbraw/zinc/95/18/25/861951825.db2.gz AKDBSBXPMVGSMF-UHFFFAOYSA-N -1 1 411.285 4.060 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCCCC#N)c2)cc1 ZINC000046583155 848878890 /nfs/dbraw/zinc/87/88/90/848878890.db2.gz ZCTYZGVUYPGTIM-UHFFFAOYSA-N -1 1 400.500 4.291 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc2cccnc21 ZINC000046588539 848881128 /nfs/dbraw/zinc/88/11/28/848881128.db2.gz WLXZFZOGMNZIRL-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436766100 861956760 /nfs/dbraw/zinc/95/67/60/861956760.db2.gz ZWWPEICYPRXCSW-UHFFFAOYSA-N -1 1 407.417 4.292 20 0 HIADMM O=C(Cc1ccccc1Cl)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611765 848886009 /nfs/dbraw/zinc/88/60/09/848886009.db2.gz DIUJGRPJDZBPLI-UHFFFAOYSA-N -1 1 400.887 4.322 20 0 HIADMM O=C(CCOc1cccc(F)c1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611927 848886135 /nfs/dbraw/zinc/88/61/35/848886135.db2.gz RFIBPHQITTXESI-UHFFFAOYSA-N -1 1 414.458 4.034 20 0 HIADMM O=C(CCOc1ccc(F)cc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611929 848886277 /nfs/dbraw/zinc/88/62/77/848886277.db2.gz QBLDVWCUJWCGOQ-UHFFFAOYSA-N -1 1 414.458 4.034 20 0 HIADMM Cc1ccc2c(CC(=O)[C@@H](C#N)c3nc(=O)c4c5c(sc4[n-]3)CCCC5)coc2c1 ZINC000046707282 848914930 /nfs/dbraw/zinc/91/49/30/848914930.db2.gz NDCQIPBWLZDKPZ-MRXNPFEDSA-N -1 1 417.490 4.337 20 0 HIADMM CCOc1cc(-c2noc(CSCc3ccccn3)n2)cc(Br)c1[O-] ZINC000436771009 861963670 /nfs/dbraw/zinc/96/36/70/861963670.db2.gz RPSPNIJZRXIFQE-UHFFFAOYSA-N -1 1 422.304 4.432 20 0 HIADMM C[C@H](Cc1ccccc1Cl)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047116704 848986202 /nfs/dbraw/zinc/98/62/02/848986202.db2.gz UGUBNISSXGPNOS-OAHLLOKOSA-N -1 1 400.906 4.281 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1OC(F)F ZINC000047119183 848987163 /nfs/dbraw/zinc/98/71/63/848987163.db2.gz DKXHPJQQNFPUNP-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccncc3)cc2)cc1 ZINC000047278360 849019278 /nfs/dbraw/zinc/01/92/78/849019278.db2.gz NBNCYBCHAIESQM-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM O=C(/C=C\c1cccs1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000047339411 849029572 /nfs/dbraw/zinc/02/95/72/849029572.db2.gz UMRATDLZPPNIRU-XFXZXTDPSA-N -1 1 402.472 4.340 20 0 HIADMM O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1cc2ccccc2cc1[O-] ZINC000436776967 861970720 /nfs/dbraw/zinc/97/07/20/861970720.db2.gz BAMJAOZKLWVZEU-UHFFFAOYSA-N -1 1 411.465 4.434 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(OC)c(OC)c3)n2)cc(Br)c1[O-] ZINC000436779795 861971898 /nfs/dbraw/zinc/97/18/98/861971898.db2.gz YNFDHAKKFHABLP-UHFFFAOYSA-N -1 1 421.247 4.288 20 0 HIADMM COc1ccc(-c2csc(NC(=O)c3cc(NC(C)=O)ccc3[O-])n2)cc1Cl ZINC000436789240 861981584 /nfs/dbraw/zinc/98/15/84/861981584.db2.gz JWKAEUVARDJVFV-UHFFFAOYSA-N -1 1 417.874 4.388 20 0 HIADMM Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436810442 861997152 /nfs/dbraw/zinc/99/71/52/861997152.db2.gz ASMBKUVKRFXEIA-UHFFFAOYSA-N -1 1 424.444 4.161 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000436798807 861992380 /nfs/dbraw/zinc/99/23/80/861992380.db2.gz VRIJFDRXPPXSTD-GOSISDBHSA-N -1 1 405.281 4.287 20 0 HIADMM N#C[C@@H](C(=O)CSCc1cccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817190 849270075 /nfs/dbraw/zinc/27/00/75/849270075.db2.gz UWDPNANPLAFBJQ-ZDUSSCGKSA-N -1 1 415.565 4.035 20 0 HIADMM Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000048816591 849270456 /nfs/dbraw/zinc/27/04/56/849270456.db2.gz FDNMVYNAGUCXJS-MRXNPFEDSA-N -1 1 419.506 4.011 20 0 HIADMM COC(=O)[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000436817487 862001129 /nfs/dbraw/zinc/00/11/29/862001129.db2.gz HZJLAFNVVQONLO-VQTJNVASSA-N -1 1 409.869 4.228 20 0 HIADMM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436836016 862014146 /nfs/dbraw/zinc/01/41/46/862014146.db2.gz CJEUYGYSANIOSI-WBVHZDCISA-N -1 1 420.481 4.327 20 0 HIADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(Br)cc1[O-] ZINC000051467820 849472963 /nfs/dbraw/zinc/47/29/63/849472963.db2.gz FRSHSRLYBGQHNB-KXBFYZLASA-N -1 1 404.304 4.395 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(CN2CCc3ccccc32)CC1 ZINC000436848503 862025386 /nfs/dbraw/zinc/02/53/86/862025386.db2.gz OZFCYKVFZGNWEN-UHFFFAOYSA-N -1 1 415.331 4.070 20 0 HIADMM O=C(c1cc(I)ccc1[O-])N1CCC[C@H](c2ccccc2)C1 ZINC000436852198 862031107 /nfs/dbraw/zinc/03/11/07/862031107.db2.gz OGADEEFEJDWQKZ-AWEZNQCLSA-N -1 1 407.251 4.017 20 0 HIADMM COc1cc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)c(OC)cc1Cl ZINC000052837922 849633167 /nfs/dbraw/zinc/63/31/67/849633167.db2.gz AFJHTEVXALBBDD-UHFFFAOYSA-N -1 1 418.906 4.225 20 0 HIADMM CCOc1cc(-c2noc([C@@H](C)NC(=O)CCc3ccccc3)n2)cc(Cl)c1[O-] ZINC000436869930 862046469 /nfs/dbraw/zinc/04/64/69/862046469.db2.gz FUTCIIKRKQIQIT-CYBMUJFWSA-N -1 1 415.877 4.304 20 0 HIADMM COc1cc(-c2noc(-c3snnc3C(C)(C)C)n2)cc(Br)c1[O-] ZINC000436875959 862051727 /nfs/dbraw/zinc/05/17/27/862051727.db2.gz WDGNELVOKDYZAO-UHFFFAOYSA-N -1 1 411.281 4.029 20 0 HIADMM CCOc1cc(-c2noc(-c3n[nH]c(CC)c3Br)n2)cc(Cl)c1[O-] ZINC000436874742 862051750 /nfs/dbraw/zinc/05/17/50/862051750.db2.gz BIZNRIOAOWUYCW-UHFFFAOYSA-N -1 1 413.659 4.209 20 0 HIADMM COc1cc(-c2noc([C@@H]3CCCc4sc(C)nc43)n2)cc(Br)c1[O-] ZINC000436876452 862055059 /nfs/dbraw/zinc/05/50/59/862055059.db2.gz YXPKXJNZAXXKOS-SNVBAGLBSA-N -1 1 422.304 4.446 20 0 HIADMM Cc1ccc(CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C2CC2)o1 ZINC000053989694 849788996 /nfs/dbraw/zinc/78/89/96/849788996.db2.gz MKVVGWKSVOQZBU-UHFFFAOYSA-N -1 1 410.495 4.194 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc4c[nH]nc4c3)n2)cc(Br)c1[O-] ZINC000436879673 862056823 /nfs/dbraw/zinc/05/68/23/862056823.db2.gz YESCGDXIWCXDGP-UHFFFAOYSA-N -1 1 415.247 4.071 20 0 HIADMM COc1cc(-c2noc(-c3ccc(NC(C)C)nc3)n2)cc(Br)c1[O-] ZINC000436878556 862056996 /nfs/dbraw/zinc/05/69/96/862056996.db2.gz JTOPMFSPNLLGPP-UHFFFAOYSA-N -1 1 405.252 4.096 20 0 HIADMM Cc1c2cccc(C)c2oc1C(=O)[N-]NC(=O)c1ccc(F)cc1Br ZINC000054098656 849810299 /nfs/dbraw/zinc/81/02/99/849810299.db2.gz NUDAOCSKIKADDP-UHFFFAOYSA-N -1 1 405.223 4.026 20 0 HIADMM CCCC(=O)N1CCCC[C@@H]1c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436880871 862060149 /nfs/dbraw/zinc/06/01/49/862060149.db2.gz UDKCEOQURSNJGK-CYBMUJFWSA-N -1 1 424.295 4.067 20 0 HIADMM COc1cc(-c2noc(C(C)(C)c3c(C)noc3C)n2)cc(Br)c1[O-] ZINC000436880833 862060241 /nfs/dbraw/zinc/06/02/41/862060241.db2.gz STYNFUPTDPLQDK-UHFFFAOYSA-N -1 1 408.252 4.144 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2n[nH]c(C(C)C)c2Br)c1 ZINC000436894401 862069754 /nfs/dbraw/zinc/06/97/54/862069754.db2.gz RARPNHKUBAUVKM-UHFFFAOYSA-N -1 1 417.101 4.324 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(-c4cccs4)no3)c([O-])c2)c1 ZINC000436893142 862069793 /nfs/dbraw/zinc/06/97/93/862069793.db2.gz OAZGVUWYYBHRDB-UHFFFAOYSA-N -1 1 423.450 4.440 20 0 HIADMM Cc1ccc([C@H](C)NC(=O)N[N-]C(=O)c2sc(-c3ccccc3)nc2C)s1 ZINC000054732781 849915516 /nfs/dbraw/zinc/91/55/16/849915516.db2.gz DGLLKRXXSGOXAJ-LBPRGKRZSA-N -1 1 400.529 4.194 20 0 HIADMM O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000054784038 849922539 /nfs/dbraw/zinc/92/25/39/849922539.db2.gz UUECLKNRMRUXQG-HXUWFJFHSA-N -1 1 412.461 4.050 20 0 HIADMM CN(CCOc1ccc(Br)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436903373 862081066 /nfs/dbraw/zinc/08/10/66/862081066.db2.gz WDPXZMROGIMARQ-UHFFFAOYSA-N -1 1 400.272 4.459 20 0 HIADMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(SC3CCCC3)cc2)c1 ZINC000055222191 849989680 /nfs/dbraw/zinc/98/96/80/849989680.db2.gz LURSXXWRTFPSQF-UHFFFAOYSA-N -1 1 406.529 4.051 20 0 HIADMM Cc1occc1CN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000055475203 850034120 /nfs/dbraw/zinc/03/41/20/850034120.db2.gz LASRTNPVTGHKQF-UHFFFAOYSA-N -1 1 400.381 4.096 20 0 HIADMM Cc1ocnc1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436907673 862083946 /nfs/dbraw/zinc/08/39/46/862083946.db2.gz GMDBORFCEHNCLG-UHFFFAOYSA-N -1 1 420.252 4.178 20 0 HIADMM Cc1ccc(C)c(OC2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)c1 ZINC000436910699 862087363 /nfs/dbraw/zinc/08/73/63/862087363.db2.gz RETBSOGHQDPLEH-UHFFFAOYSA-N -1 1 404.304 4.455 20 0 HIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)cc1 ZINC000055600323 850075816 /nfs/dbraw/zinc/07/58/16/850075816.db2.gz LUPVTZKXVHRHOT-UHFFFAOYSA-N -1 1 400.456 4.218 20 0 HIADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000055632120 850083848 /nfs/dbraw/zinc/08/38/48/850083848.db2.gz TXYRPVOWLMHWOA-UHFFFAOYSA-N -1 1 408.785 4.338 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000055633930 850084923 /nfs/dbraw/zinc/08/49/23/850084923.db2.gz YDPXJEXCUUEJDL-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000055651282 850096953 /nfs/dbraw/zinc/09/69/53/850096953.db2.gz BLXTVCXOLAVKSY-UHFFFAOYSA-N -1 1 404.507 4.115 20 0 HIADMM O=C(CC[C@@H]1CCCO1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000056061991 850236321 /nfs/dbraw/zinc/23/63/21/850236321.db2.gz YLVAECFOECBUGG-KRWDZBQOSA-N -1 1 408.907 4.039 20 0 HIADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000056089659 850240750 /nfs/dbraw/zinc/24/07/50/850240750.db2.gz HWAAMQCUICKXGJ-CQSZACIVSA-N -1 1 416.355 4.165 20 0 HIADMM CCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H](C)c1cc2ccccc2o1 ZINC000056278181 850308904 /nfs/dbraw/zinc/30/89/04/850308904.db2.gz LSGZFKODXYZHRO-INIZCTEOSA-N -1 1 416.481 4.039 20 0 HIADMM COc1ccc(-c2nc(Cc3c[nH]c4cccc(Br)c34)no2)c([O-])c1 ZINC000436950095 862129039 /nfs/dbraw/zinc/12/90/39/862129039.db2.gz MBJALVKNHHVROB-UHFFFAOYSA-N -1 1 400.232 4.285 20 0 HIADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(I)ccc1[O-] ZINC000436952042 862130092 /nfs/dbraw/zinc/13/00/92/862130092.db2.gz UXXCKQBYRWXABZ-DOMZBBRYSA-N -1 1 407.251 4.015 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(CCC4CC4)no3)c([O-])c2)c1 ZINC000436954734 862133389 /nfs/dbraw/zinc/13/33/89/862133389.db2.gz AQGCJHYHKBMSKQ-UHFFFAOYSA-N -1 1 409.442 4.054 20 0 HIADMM CCOc1cc(-c2noc(Cn3nc(C(F)(F)F)cc3C)n2)cc(Cl)c1[O-] ZINC000436953824 862133953 /nfs/dbraw/zinc/13/39/53/862133953.db2.gz BVNXUHIBNMDGJT-UHFFFAOYSA-N -1 1 402.760 4.066 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000436953359 862134118 /nfs/dbraw/zinc/13/41/18/862134118.db2.gz OPNOIDVLWHCPAD-INIZCTEOSA-N -1 1 414.658 4.161 20 0 HIADMM O=C(Nc1ccc(-c2nc(-c3cscn3)no2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436956670 862135677 /nfs/dbraw/zinc/13/56/77/862135677.db2.gz SWXFPGPKEHBSGD-UHFFFAOYSA-N -1 1 400.366 4.096 20 0 HIADMM C[C@H](C1CC1)N(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CC1 ZINC000056934511 850519808 /nfs/dbraw/zinc/51/98/08/850519808.db2.gz LMBGOMDHCGDEQJ-CQSZACIVSA-N -1 1 402.491 4.030 20 0 HIADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000057118357 850550885 /nfs/dbraw/zinc/55/08/85/850550885.db2.gz QFPPBWVBMDIPRS-UHFFFAOYSA-N -1 1 414.458 4.025 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1Cl ZINC000057121191 850551685 /nfs/dbraw/zinc/55/16/85/850551685.db2.gz HEFSWBYWEJVFJC-UHFFFAOYSA-N -1 1 401.315 4.242 20 0 HIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000057497896 850652422 /nfs/dbraw/zinc/65/24/22/850652422.db2.gz VPUYIMIPHLVORP-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM Cc1nc(CC(C)C)c(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000436974633 862154403 /nfs/dbraw/zinc/15/44/03/862154403.db2.gz ABUHBAPIOGCSLP-UHFFFAOYSA-N -1 1 414.487 4.157 20 0 HIADMM CO[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000058225366 850783468 /nfs/dbraw/zinc/78/34/68/850783468.db2.gz OPFATXSGTZEFFX-NRFANRHFSA-N -1 1 410.495 4.122 20 0 HIADMM CC(C)[C@@H](C)N(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000058262885 850789293 /nfs/dbraw/zinc/78/92/93/850789293.db2.gz AYQMTGMBYGCFDW-MRXNPFEDSA-N -1 1 418.534 4.205 20 0 HIADMM Cc1ccc(C#N)cc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000058287869 850793607 /nfs/dbraw/zinc/79/36/07/850793607.db2.gz OUTJHCGGSWUBAE-UHFFFAOYSA-N -1 1 423.469 4.367 20 0 HIADMM COc1cc(CN(C)Cn2c(Cc3cccs3)n[n-]c2=S)ccc1SC ZINC000058540596 850850237 /nfs/dbraw/zinc/85/02/37/850850237.db2.gz NBCVHFKFGNRBAM-UHFFFAOYSA-N -1 1 406.602 4.413 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(C(C)C)n(C)n3)n2)cc(Br)c1[O-] ZINC000437003335 862177642 /nfs/dbraw/zinc/17/76/42/862177642.db2.gz UXUNERUIOYJKPX-UHFFFAOYSA-N -1 1 407.268 4.127 20 0 HIADMM COc1ccccc1C(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058806909 850933883 /nfs/dbraw/zinc/93/38/83/850933883.db2.gz ABLCFAKFVAYYDI-UHFFFAOYSA-N -1 1 424.522 4.412 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000437010252 862186102 /nfs/dbraw/zinc/18/61/02/862186102.db2.gz OOVWEYKEJAPARY-NRFANRHFSA-N -1 1 422.504 4.008 20 0 HIADMM CCc1cc2c(COC(=O)Cc3csc(-c4ccccc4)n3)cc(=O)oc2cc1[O-] ZINC000058947261 850964738 /nfs/dbraw/zinc/96/47/38/850964738.db2.gz YGKAWIVWXDBYAK-UHFFFAOYSA-N -1 1 421.474 4.470 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2cscn2)c1)c1ccc2c(c1)CCCC2 ZINC000060341805 851069756 /nfs/dbraw/zinc/06/97/56/851069756.db2.gz YOAVMAYQMVOZTD-UHFFFAOYSA-N -1 1 400.525 4.402 20 0 HIADMM CCc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060412046 851090545 /nfs/dbraw/zinc/09/05/45/851090545.db2.gz NQFAYXPYNRELLZ-UHFFFAOYSA-N -1 1 424.522 4.376 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccc(OCc2ccccn2)c1 ZINC000060506434 851126415 /nfs/dbraw/zinc/12/64/15/851126415.db2.gz LSVNLUZAOPEXNI-CYBMUJFWSA-N -1 1 422.428 4.117 20 0 HIADMM CCC(CC)[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cccs1 ZINC000060559568 851146537 /nfs/dbraw/zinc/14/65/37/851146537.db2.gz DWJZFYRJKQHENA-FQEVSTJZSA-N -1 1 410.543 4.038 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000062294822 851525581 /nfs/dbraw/zinc/52/55/81/851525581.db2.gz QEJGUBKBKYTIMP-UHFFFAOYSA-N -1 1 420.874 4.114 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1 ZINC000063149215 851621138 /nfs/dbraw/zinc/62/11/38/851621138.db2.gz KXUSNYLTJMTUAE-UHFFFAOYSA-N -1 1 420.922 4.291 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1 ZINC000063173269 851627333 /nfs/dbraw/zinc/62/73/33/851627333.db2.gz HPABOIYVVBXDMA-UHFFFAOYSA-N -1 1 424.950 4.410 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)NCC(C)(C)c1cccc(C)c1 ZINC000063336619 851665980 /nfs/dbraw/zinc/66/59/80/851665980.db2.gz ULQRIEQBNUTDDF-UHFFFAOYSA-N -1 1 422.554 4.349 20 0 HIADMM C=CCN(Cc1cccc(C#N)c1)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000063341088 851666725 /nfs/dbraw/zinc/66/67/25/851666725.db2.gz BXOOWCYRUUJCAA-UHFFFAOYSA-N -1 1 417.538 4.393 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1 ZINC000063443089 851691278 /nfs/dbraw/zinc/69/12/78/851691278.db2.gz KQOPSGKKBFQJFA-UHFFFAOYSA-N -1 1 414.483 4.090 20 0 HIADMM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)ccc21 ZINC000063476061 851699699 /nfs/dbraw/zinc/69/96/99/851699699.db2.gz ZGCLLDKRLTUPAM-UHFFFAOYSA-N -1 1 400.500 4.259 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1NC(C)=O ZINC000063476059 851699742 /nfs/dbraw/zinc/69/97/42/851699742.db2.gz KITZYZCGMIJISW-UHFFFAOYSA-N -1 1 415.515 4.065 20 0 HIADMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063911765 851791133 /nfs/dbraw/zinc/79/11/33/851791133.db2.gz MEFBSMRFKWGRJH-UHFFFAOYSA-N -1 1 419.400 4.175 20 0 HIADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1Cl ZINC000063911996 851791553 /nfs/dbraw/zinc/79/15/53/851791553.db2.gz APUOJWACZDWCEC-UHFFFAOYSA-N -1 1 424.803 4.001 20 0 HIADMM Cc1c2cccc(C)c2oc1C(=O)[N-]NC(=O)Cc1nc(-c2ccccc2)cs1 ZINC000064799550 851986159 /nfs/dbraw/zinc/98/61/59/851986159.db2.gz QDUVMSJMRPHVAV-UHFFFAOYSA-N -1 1 405.479 4.177 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(COCC4CC4)c3)c3cccc1c23 ZINC000064938256 852026080 /nfs/dbraw/zinc/02/60/80/852026080.db2.gz RBSCLFDFSNMLEE-UHFFFAOYSA-N -1 1 408.479 4.133 20 0 HIADMM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(SC(F)(F)F)cc3)ccc2o1 ZINC000064938033 852026491 /nfs/dbraw/zinc/02/64/91/852026491.db2.gz UNBRKWILLFFSCN-UHFFFAOYSA-N -1 1 401.387 4.206 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1OC ZINC000065069742 852053058 /nfs/dbraw/zinc/05/30/58/852053058.db2.gz RPSOQEBFJFPLJG-UHFFFAOYSA-N -1 1 402.516 4.424 20 0 HIADMM Cc1cn(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc12 ZINC000065101288 852063996 /nfs/dbraw/zinc/06/39/96/852063996.db2.gz KMMZMBQUMLJZQK-UHFFFAOYSA-N -1 1 419.506 4.389 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[n-]c2=S)cc1 ZINC000065127912 852075287 /nfs/dbraw/zinc/07/52/87/852075287.db2.gz UUGLNZLCILEWSA-OAHLLOKOSA-N -1 1 423.542 4.083 20 0 HIADMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000065223995 852091107 /nfs/dbraw/zinc/09/11/07/852091107.db2.gz HFTSUUYCKVJAQO-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM Cc1occc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000065688439 852219825 /nfs/dbraw/zinc/21/98/25/852219825.db2.gz CICPCRCWXUYHTQ-UHFFFAOYSA-N -1 1 418.902 4.314 20 0 HIADMM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000065832839 852274452 /nfs/dbraw/zinc/27/44/52/852274452.db2.gz VBWPEUACHKAOKI-UHFFFAOYSA-N -1 1 403.544 4.308 20 0 HIADMM CN(Cc1ccc(Br)s1)C(=O)c1cc(Br)ccc1[O-] ZINC000069445746 852395493 /nfs/dbraw/zinc/39/54/93/852395493.db2.gz BXMHIEJGROWGQH-UHFFFAOYSA-N -1 1 405.111 4.251 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000071418990 852405726 /nfs/dbraw/zinc/40/57/26/852405726.db2.gz DSQNZPFXXHDMPW-MRVPVSSYSA-N -1 1 405.829 4.124 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)c3ccncc3)cc2)cc1C ZINC000071939452 852438803 /nfs/dbraw/zinc/43/88/03/852438803.db2.gz CXEUEUDEBPXYPM-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@@H](C)c3cccnc3)c2)c1 ZINC000072087277 852503061 /nfs/dbraw/zinc/50/30/61/852503061.db2.gz YYYGENYTURZHMS-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCCCc2ccccc21 ZINC000078403523 852513238 /nfs/dbraw/zinc/51/32/38/852513238.db2.gz VZWBRDHWEMBZLZ-UHFFFAOYSA-N -1 1 406.507 4.471 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)C(C)C)c2)cc1 ZINC000097077322 852581408 /nfs/dbraw/zinc/58/14/08/852581408.db2.gz ASFZLEYGYGLLPF-UHFFFAOYSA-N -1 1 410.923 4.020 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1 ZINC000097168586 852587864 /nfs/dbraw/zinc/58/78/64/852587864.db2.gz FPVQDJZMEQGWLR-OAHLLOKOSA-N -1 1 416.474 4.361 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)c(Br)c1 ZINC000097286887 852597631 /nfs/dbraw/zinc/59/76/31/852597631.db2.gz HOHQIKILOYAZLB-UHFFFAOYSA-N -1 1 406.257 4.101 20 0 HIADMM CCOc1cc(-c2ccccc2)sc1C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000097550898 852629304 /nfs/dbraw/zinc/62/93/04/852629304.db2.gz PYAFDYHPHNKXGE-UHFFFAOYSA-N -1 1 400.529 4.333 20 0 HIADMM COc1ccc2nc(C(=O)N3CCC(c4n[n-]c(=S)n4C(C)C)CC3)ccc2c1 ZINC000097554961 852631135 /nfs/dbraw/zinc/63/11/35/852631135.db2.gz RNRWDHXLDGZOPX-UHFFFAOYSA-N -1 1 411.531 4.098 20 0 HIADMM CN(CCOc1ccc(Cl)cc1)C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000105041411 852688630 /nfs/dbraw/zinc/68/86/30/852688630.db2.gz ICCIIAGLMYUYQT-UHFFFAOYSA-N -1 1 422.963 4.250 20 0 HIADMM CCN(Cc1ccc(OC)cc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000105918858 852739894 /nfs/dbraw/zinc/73/98/94/852739894.db2.gz HXKDXLZCDPPXET-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM CCc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)n1 ZINC000108382792 852844400 /nfs/dbraw/zinc/84/44/00/852844400.db2.gz DSOQKGNIBRDJFC-UHFFFAOYSA-N -1 1 424.309 4.107 20 0 HIADMM CCOc1ccc(NC(=O)CCn2c(-c3ccc(OC)cc3)n[n-]c2=S)cc1F ZINC000108581571 852861969 /nfs/dbraw/zinc/86/19/69/852861969.db2.gz BKPJSDJCKVZYPH-UHFFFAOYSA-N -1 1 416.478 4.183 20 0 HIADMM CCCCO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000109182834 852932077 /nfs/dbraw/zinc/93/20/77/852932077.db2.gz ALEKCLZUYXSTFC-AWEZNQCLSA-N -1 1 410.923 4.285 20 0 HIADMM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(Br)cc1[O-] ZINC000109364763 852959020 /nfs/dbraw/zinc/95/90/20/852959020.db2.gz VRPACIAPIDRLCJ-UHFFFAOYSA-N -1 1 418.209 4.164 20 0 HIADMM CSc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000110229746 853075961 /nfs/dbraw/zinc/07/59/61/853075961.db2.gz PGUIATRKLDTMNK-OAQYLSRUSA-N -1 1 420.534 4.188 20 0 HIADMM Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000110231442 853077357 /nfs/dbraw/zinc/07/73/57/853077357.db2.gz MVARBQNYHJFKDP-VGSWGCGISA-N -1 1 402.494 4.336 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)cc1Cl ZINC000110394161 853095135 /nfs/dbraw/zinc/09/51/35/853095135.db2.gz QLSWUYTYXMFBLQ-UHFFFAOYSA-N -1 1 407.879 4.323 20 0 HIADMM CC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000110561711 853118405 /nfs/dbraw/zinc/11/84/05/853118405.db2.gz PKCRFEQKEPJBJD-ZDUSSCGKSA-N -1 1 414.449 4.377 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2cscn2)c1)c1ccc(F)c2ncccc12 ZINC000110631760 853129407 /nfs/dbraw/zinc/12/94/07/853129407.db2.gz IAVLYKYUFGGIBV-UHFFFAOYSA-N -1 1 415.471 4.210 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)ccc1Cl ZINC000112640069 853236477 /nfs/dbraw/zinc/23/64/77/853236477.db2.gz FPRDHTWRFPPBKP-UHFFFAOYSA-N -1 1 405.863 4.063 20 0 HIADMM COc1ccc(-c2nc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)cs2)cc1OC ZINC000115592168 853255317 /nfs/dbraw/zinc/25/53/17/853255317.db2.gz AFHIGQUTECQOAF-UHFFFAOYSA-N -1 1 421.381 4.266 20 0 HIADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000115850620 853268024 /nfs/dbraw/zinc/26/80/24/853268024.db2.gz WREPZKFZDJAHFK-UHFFFAOYSA-N -1 1 411.915 4.448 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000115899138 853270283 /nfs/dbraw/zinc/27/02/83/853270283.db2.gz QWJYOLYOESAGOC-UHFFFAOYSA-N -1 1 417.531 4.075 20 0 HIADMM CC(C)(CNC(=O)Cn1c(=S)[n-]nc1-c1cccs1)c1cccc(Cl)c1 ZINC000116119969 853284361 /nfs/dbraw/zinc/28/43/61/853284361.db2.gz MHXKXWJADBRPPI-UHFFFAOYSA-N -1 1 406.964 4.417 20 0 HIADMM CN(CCCOc1ccc(Cl)cc1)C(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000117687063 853364361 /nfs/dbraw/zinc/36/43/61/853364361.db2.gz JPXULOHZPNGFIR-UHFFFAOYSA-N -1 1 422.963 4.250 20 0 HIADMM Cc1nc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)sc1C ZINC000137778227 853377202 /nfs/dbraw/zinc/37/72/02/853377202.db2.gz NLGIJSFYZRWLOA-UHFFFAOYSA-N -1 1 419.503 4.261 20 0 HIADMM C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000143477184 853515914 /nfs/dbraw/zinc/51/59/14/853515914.db2.gz ARBNLGHKIJNYSE-CYBMUJFWSA-N -1 1 401.919 4.174 20 0 HIADMM C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000143476971 853516054 /nfs/dbraw/zinc/51/60/54/853516054.db2.gz ARBNLGHKIJNYSE-ZDUSSCGKSA-N -1 1 401.919 4.174 20 0 HIADMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000144955275 853543579 /nfs/dbraw/zinc/54/35/79/853543579.db2.gz CSTCVTPWJWNGAJ-MRXNPFEDSA-N -1 1 410.495 4.128 20 0 HIADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)c1 ZINC000146203468 853565376 /nfs/dbraw/zinc/56/53/76/853565376.db2.gz ABJMSANORHVEMH-INIZCTEOSA-N -1 1 404.532 4.147 20 0 HIADMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2F)n1 ZINC000149449194 853625629 /nfs/dbraw/zinc/62/56/29/853625629.db2.gz WSXJZOUBIYLDLT-CQSZACIVSA-N -1 1 409.442 4.309 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4c3cccc4C)cc2)cc1 ZINC000195735280 853785897 /nfs/dbraw/zinc/78/58/97/853785897.db2.gz QLBHGVGCSSFHIA-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)c2)c1 ZINC000238061617 854139666 /nfs/dbraw/zinc/13/96/66/854139666.db2.gz SUDAQZAJOKYRHA-VWLOTQADSA-N -1 1 424.500 4.388 20 0 HIADMM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000238154681 854148423 /nfs/dbraw/zinc/14/84/23/854148423.db2.gz UPZNIMILOFWNJR-UHFFFAOYSA-N -1 1 419.815 4.125 20 0 HIADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)N(Cc1ccco1)C1=CCCCC1 ZINC000261414073 854253506 /nfs/dbraw/zinc/25/35/06/854253506.db2.gz WCFDHAGYMLXTRY-UHFFFAOYSA-N -1 1 413.421 4.373 20 0 HIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)Nc1ccc(Br)cc1 ZINC000261416457 854254296 /nfs/dbraw/zinc/25/42/96/854254296.db2.gz XSFCYEBYZRPUGZ-SSDOTTSWSA-N -1 1 422.226 4.083 20 0 HIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000261428568 854258801 /nfs/dbraw/zinc/25/88/01/854258801.db2.gz OHZMRDPGAJTQNC-VHSXEESVSA-N -1 1 403.451 4.107 20 0 HIADMM Cn1c(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)nc2cc(Cl)ccc21 ZINC000301328786 854360635 /nfs/dbraw/zinc/36/06/35/854360635.db2.gz ANFLRPJWNFNAAZ-UHFFFAOYSA-N -1 1 408.874 4.212 20 0 HIADMM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301365049 854371690 /nfs/dbraw/zinc/37/16/90/854371690.db2.gz PUFBUJOZVIJPGX-UHFFFAOYSA-N -1 1 400.486 4.276 20 0 HIADMM Cc1ccc(Cl)cc1N1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000301366312 854372685 /nfs/dbraw/zinc/37/26/85/854372685.db2.gz QIZKQRRQMRZWEY-UHFFFAOYSA-N -1 1 409.921 4.149 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H](C)c3cccc(N4CCCC4=O)c3)nc2)[n-]c(=O)c1C ZINC000301377580 854375451 /nfs/dbraw/zinc/37/54/51/854375451.db2.gz SCKVXYNQFXOPQT-INIZCTEOSA-N -1 1 403.486 4.161 20 0 HIADMM Cc1nc(-c2ccc(N[C@H](C)c3cccc(N4CCCC4=O)c3)nc2)[n-]c(=O)c1C ZINC000301377581 854376017 /nfs/dbraw/zinc/37/60/17/854376017.db2.gz SCKVXYNQFXOPQT-MRXNPFEDSA-N -1 1 403.486 4.161 20 0 HIADMM Cc1cccc2c(NCc3ccccc3[N-]S(=O)(=O)c3ccccc3)ncnc12 ZINC000301694412 854447556 /nfs/dbraw/zinc/44/75/56/854447556.db2.gz AJAQHBZVWPZOJG-UHFFFAOYSA-N -1 1 404.495 4.351 20 0 HIADMM CC[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)c1c(C)noc1C ZINC000301825045 854472264 /nfs/dbraw/zinc/47/22/64/854472264.db2.gz MDTRQCQBUSAJGF-KRWDZBQOSA-N -1 1 422.457 4.329 20 0 HIADMM Cc1csc([C@H](C)CNc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)n1 ZINC000302125158 854534122 /nfs/dbraw/zinc/53/41/22/854534122.db2.gz IAHRZWFQDTVBIW-LLVKDONJSA-N -1 1 424.498 4.141 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](c2ccco2)c2ccccc2)cc1 ZINC000302776139 854631913 /nfs/dbraw/zinc/63/19/13/854631913.db2.gz ZGFQVTQBWVAPAN-HXUWFJFHSA-N -1 1 420.494 4.115 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3c3cccn3C)c2)cc1 ZINC000302811673 854642672 /nfs/dbraw/zinc/64/26/72/854642672.db2.gz OEHWXNJAJKCCRF-JOCHJYFZSA-N -1 1 423.538 4.112 20 0 HIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1ccc(Br)s1 ZINC000302917119 854678164 /nfs/dbraw/zinc/67/81/64/854678164.db2.gz PBRCQJYHAHXISV-UHFFFAOYSA-N -1 1 424.725 4.126 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)c3cccnc3)cc2)cc1C ZINC000303079502 854751751 /nfs/dbraw/zinc/75/17/51/854751751.db2.gz TZLSPCLDKKUFRD-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1ccc(-c2nc(CCNC(=O)c3cc(Br)ccc3[O-])co2)cc1 ZINC000303188414 854808750 /nfs/dbraw/zinc/80/87/50/854808750.db2.gz ZQZGTQOYECMTDH-UHFFFAOYSA-N -1 1 401.260 4.091 20 0 HIADMM Cc1nc(-c2cccc(NC(=O)CCn3c(=S)[n-]nc3-c3ccc(C)cc3)c2)no1 ZINC000303197774 854812821 /nfs/dbraw/zinc/81/28/21/854812821.db2.gz GWKBEFFVVGMMAF-UHFFFAOYSA-N -1 1 420.498 4.303 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000303215350 854820584 /nfs/dbraw/zinc/82/05/84/854820584.db2.gz SOSLVIUYFISSCI-UHFFFAOYSA-N -1 1 422.916 4.334 20 0 HIADMM CC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CCCC1 ZINC000303397639 854908159 /nfs/dbraw/zinc/90/81/59/854908159.db2.gz ZIXUJGAKMGLNHZ-UHFFFAOYSA-N -1 1 408.470 4.076 20 0 HIADMM CN1CCCc2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)ccc21 ZINC000303436362 854936608 /nfs/dbraw/zinc/93/66/08/854936608.db2.gz XZSGPQNDXVTAGM-UHFFFAOYSA-N -1 1 421.522 4.122 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)cc2)cc1 ZINC000303557294 855038467 /nfs/dbraw/zinc/03/84/67/855038467.db2.gz JVRPHAIMQHLLOU-GCKMJXCFSA-N -1 1 416.543 4.051 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)cc2)cc1 ZINC000303557290 855038740 /nfs/dbraw/zinc/03/87/40/855038740.db2.gz JVRPHAIMQHLLOU-CKJXQJPGSA-N -1 1 416.543 4.051 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1 ZINC000303560932 855041017 /nfs/dbraw/zinc/04/10/17/855041017.db2.gz LFDLVRGCSYQQAF-HXUWFJFHSA-N -1 1 406.555 4.322 20 0 HIADMM Cc1cccnc1[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000303602275 855071454 /nfs/dbraw/zinc/07/14/54/855071454.db2.gz AOKBZUSPZIHCMH-NRFANRHFSA-N -1 1 423.538 4.318 20 0 HIADMM O=S(=O)([N-][C@H]1CCC[C@@H]1Cc1ccccc1)c1sccc1Br ZINC000303752980 855173482 /nfs/dbraw/zinc/17/34/82/855173482.db2.gz CFKXWSGSNFSTJA-HIFRSBDPSA-N -1 1 400.363 4.200 20 0 HIADMM O=C(NCCc1cc2ccccc2o1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000303791328 855200534 /nfs/dbraw/zinc/20/05/34/855200534.db2.gz IEHXSFJJQSIGMR-UHFFFAOYSA-N -1 1 420.490 4.206 20 0 HIADMM CCCC[C@H](COC)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000303831497 855230178 /nfs/dbraw/zinc/23/01/78/855230178.db2.gz ZVGNCIOTOPTVGO-LJQANCHMSA-N -1 1 418.559 4.039 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(O)cc3C)c2)c1 ZINC000303904470 855279274 /nfs/dbraw/zinc/27/92/74/855279274.db2.gz WJCBMWUDYWDMQA-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000315765296 855378823 /nfs/dbraw/zinc/37/88/23/855378823.db2.gz PWTJRFVWVUUHKS-UHFFFAOYSA-N -1 1 403.729 4.278 20 0 HIADMM COc1c(C)ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1C ZINC000326973715 855414276 /nfs/dbraw/zinc/41/42/76/855414276.db2.gz HRIFKUBRYHXUOO-UHFFFAOYSA-N -1 1 404.271 4.118 20 0 HIADMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCCC12CCCC2 ZINC000326979365 855414299 /nfs/dbraw/zinc/41/42/99/855414299.db2.gz JKZKKKVRDCTKOL-OAHLLOKOSA-N -1 1 417.325 4.139 20 0 HIADMM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1c(Cl)cc(Br)cc1Cl ZINC000385980112 855441385 /nfs/dbraw/zinc/44/13/85/855441385.db2.gz ARTZWTNHZNMPCI-SNVBAGLBSA-N -1 1 421.143 4.374 20 0 HIADMM Cc1c2ccccc2oc1[C@H](C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000409491142 855506895 /nfs/dbraw/zinc/50/68/95/855506895.db2.gz KUNFUJNSSDHKIC-HNNXBMFYSA-N -1 1 402.454 4.027 20 0 HIADMM CCCc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n[nH]1 ZINC000409741456 855629586 /nfs/dbraw/zinc/62/95/86/855629586.db2.gz AYNPRZVPZQFMPF-UHFFFAOYSA-N -1 1 412.515 4.032 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)c(F)c3)c2)n1 ZINC000410340133 855937510 /nfs/dbraw/zinc/93/75/10/855937510.db2.gz MDYDESYRJHDPHC-UHFFFAOYSA-N -1 1 414.487 4.244 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc(F)c(F)c(F)c1 ZINC000437398596 862742051 /nfs/dbraw/zinc/74/20/51/862742051.db2.gz TYLJCJQWSAFDQJ-UHFFFAOYSA-N -1 1 407.417 4.105 20 0 HIADMM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000437398185 862743008 /nfs/dbraw/zinc/74/30/08/862743008.db2.gz WOOZIKFJLVAGMM-UHFFFAOYSA-N -1 1 409.433 4.273 20 0 HIADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410414806 855984600 /nfs/dbraw/zinc/98/46/00/855984600.db2.gz BUCDTIUXGBHQBM-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM Cc1cccnc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000426082354 856095183 /nfs/dbraw/zinc/09/51/83/856095183.db2.gz XYROUASDLKPDRG-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM C[C@@H]1CCCN1C(=O)c1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCSC4)cc1 ZINC000426123193 856122855 /nfs/dbraw/zinc/12/28/55/856122855.db2.gz LWZBLDPGFWKMAE-GFCCVEGCSA-N -1 1 411.552 4.478 20 0 HIADMM O=C1c2ccccc2N[C@H](c2cc(F)c([O-])c(F)c2)N1c1ccc2c(c1)OCCO2 ZINC000426135501 856130791 /nfs/dbraw/zinc/13/07/91/856130791.db2.gz GBXPKCQQNLZOBC-NRFANRHFSA-N -1 1 410.376 4.213 20 0 HIADMM CCc1nc(CNCc2cn(-c3ccccc3)nc2-c2ccc(C)o2)ccc1C(=O)[O-] ZINC000426639515 856388688 /nfs/dbraw/zinc/38/86/88/856388688.db2.gz WZKZNZDSPWDOEE-UHFFFAOYSA-N -1 1 416.481 4.386 20 0 HIADMM O=C([O-])[C@@H](CNCc1csc(COc2ccccc2)n1)Cc1ccccc1Cl ZINC000426706370 856423278 /nfs/dbraw/zinc/42/32/78/856423278.db2.gz SFDGLGJUWMGQLO-MRXNPFEDSA-N -1 1 416.930 4.409 20 0 HIADMM O=C([O-])C[C@@H](NCc1cnc(-c2ccccc2)s1)c1cnn(-c2ccccc2)c1 ZINC000426718714 856431847 /nfs/dbraw/zinc/43/18/47/856431847.db2.gz BYYQIADGOPGVKU-HXUWFJFHSA-N -1 1 404.495 4.301 20 0 HIADMM O=C([O-])C[C@H](NCc1ccc(OC(F)F)c(Cl)c1)c1cnn(-c2ccccc2)c1 ZINC000426720598 856432968 /nfs/dbraw/zinc/43/29/68/856432968.db2.gz NVZJPMASZHPKMX-KRWDZBQOSA-N -1 1 421.831 4.433 20 0 HIADMM COc1ccc(-c2ccncc2)cc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426727978 856437994 /nfs/dbraw/zinc/43/79/94/856437994.db2.gz RVAQNMDQMCGTKE-HXUWFJFHSA-N -1 1 400.837 4.465 20 0 HIADMM O=C([O-])[C@H](CSCCc1ccccc1)NCc1cnc(-c2ccsc2)s1 ZINC000426738456 856444391 /nfs/dbraw/zinc/44/43/91/856444391.db2.gz WKRXKIWNPDWGNI-KRWDZBQOSA-N -1 1 404.582 4.390 20 0 HIADMM O=C([O-])[C@@H](NCc1ccc(Br)c(Br)c1)c1ccccc1F ZINC000426792596 856481627 /nfs/dbraw/zinc/48/16/27/856481627.db2.gz NDRSRVYQCMUQKX-AWEZNQCLSA-N -1 1 417.072 4.266 20 0 HIADMM COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)ccc1OCc1c(C)noc1C ZINC000426797466 856484594 /nfs/dbraw/zinc/48/45/94/856484594.db2.gz FLCSNGGJKKZDRS-SFHVURJKSA-N -1 1 414.458 4.086 20 0 HIADMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@@H](NCc1ccc(F)c(F)c1)C(=O)[O-] ZINC000426797680 856484844 /nfs/dbraw/zinc/48/48/44/856484844.db2.gz GDJJWLTVQPBEAW-LJQANCHMSA-N -1 1 405.832 4.336 20 0 HIADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2OC)cc1OCc1ccccc1 ZINC000426808971 856490307 /nfs/dbraw/zinc/49/03/07/856490307.db2.gz BTHUTFHJQNJLLH-HSZRJFAPSA-N -1 1 407.466 4.198 20 0 HIADMM CSC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000427182448 856697305 /nfs/dbraw/zinc/69/73/05/856697305.db2.gz OWJPEHLSEXUYSG-SFHVURJKSA-N -1 1 418.584 4.072 20 0 HIADMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)cc1)C(C)C ZINC000427196724 856706716 /nfs/dbraw/zinc/70/67/16/856706716.db2.gz ACXPFLXJWQWIEH-UHFFFAOYSA-N -1 1 417.556 4.162 20 0 HIADMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000427261849 856742597 /nfs/dbraw/zinc/74/25/97/856742597.db2.gz BJSFLPFNDGPWSG-RUYXUOGBSA-N -1 1 418.795 4.005 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000437469119 862831237 /nfs/dbraw/zinc/83/12/37/862831237.db2.gz GKIANIHAGZCENQ-UHFFFAOYSA-N -1 1 411.483 4.278 20 0 HIADMM CCn1nccc1S(=O)(=O)[N-]c1ccc(-c2ccc(OC(C)C)cc2)cc1F ZINC000427291547 856755514 /nfs/dbraw/zinc/75/55/14/856755514.db2.gz HPYVDDOZHCEWCN-UHFFFAOYSA-N -1 1 403.479 4.297 20 0 HIADMM O=C([O-])c1cccc(NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c1F ZINC000427295982 856757559 /nfs/dbraw/zinc/75/75/59/856757559.db2.gz RHTQIUFYNUHARD-UHFFFAOYSA-N -1 1 412.851 4.102 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000427320443 856770557 /nfs/dbraw/zinc/77/05/57/856770557.db2.gz LWJOOEYTZYKBJN-RTBURBONSA-N -1 1 412.555 4.366 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1c2c(cc3c1CCC3)CCC2 ZINC000427629951 856892207 /nfs/dbraw/zinc/89/22/07/856892207.db2.gz PQZNXFDFWCJPIM-UHFFFAOYSA-N -1 1 414.509 4.101 20 0 HIADMM C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCS1 ZINC000427955897 857022181 /nfs/dbraw/zinc/02/21/81/857022181.db2.gz FWIRJJJJNCYWLG-AWEZNQCLSA-N -1 1 424.975 4.108 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CC[C@H]2CCC[C@@H]21 ZINC000428525491 857240680 /nfs/dbraw/zinc/24/06/80/857240680.db2.gz ZXOWYXKCRCODAD-YJYMSZOUSA-N -1 1 422.909 4.295 20 0 HIADMM CCN(C(=O)c1ccc(I)c([O-])c1)[C@H](C)Cc1ccsc1 ZINC000428846614 857370547 /nfs/dbraw/zinc/37/05/47/857370547.db2.gz CNNXMCINONMGTD-LLVKDONJSA-N -1 1 415.296 4.152 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1F ZINC000429088085 857503589 /nfs/dbraw/zinc/50/35/89/857503589.db2.gz PGAFNEWKXCLXDM-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM COc1ccc(-c2cc3[n-]c(CN4CCC[C@@H](CSC)C4)nc(=O)c3s2)cc1 ZINC000429287843 857591651 /nfs/dbraw/zinc/59/16/51/857591651.db2.gz VRFLBQGVROPRLV-CQSZACIVSA-N -1 1 415.584 4.235 20 0 HIADMM Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000437651163 862986312 /nfs/dbraw/zinc/98/63/12/862986312.db2.gz CZTYGDSJPRBBEQ-UHFFFAOYSA-N -1 1 408.888 4.271 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)c(CN2CCOCC2)c1)c1cccc2ccccc21 ZINC000430350980 858129895 /nfs/dbraw/zinc/12/98/95/858129895.db2.gz ICYGHIPUBALACQ-UHFFFAOYSA-N -1 1 416.930 4.126 20 0 HIADMM Cc1cc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)ccc1O ZINC000430586213 858227780 /nfs/dbraw/zinc/22/77/80/858227780.db2.gz VPMCJZITVJMOIX-UHFFFAOYSA-N -1 1 407.651 4.210 20 0 HIADMM Cc1nsc(C)c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000430891457 858356444 /nfs/dbraw/zinc/35/64/44/858356444.db2.gz UDBMDNSITCJYKD-UHFFFAOYSA-N -1 1 423.466 4.091 20 0 HIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)no1 ZINC000430975658 858387943 /nfs/dbraw/zinc/38/79/43/858387943.db2.gz NWYRQGZXUWJROK-UHFFFAOYSA-N -1 1 420.560 4.124 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C(C)C)ccc2Cl)s1 ZINC000431171607 858485529 /nfs/dbraw/zinc/48/55/29/858485529.db2.gz GINUDDJVGMZUHF-UHFFFAOYSA-N -1 1 400.953 4.300 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3cncc(C)c3)ccc2C)c1 ZINC000431250572 858530894 /nfs/dbraw/zinc/53/08/94/858530894.db2.gz XVXIIBFUEIOGIC-UHFFFAOYSA-N -1 1 423.538 4.379 20 0 HIADMM Cc1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c(C)o1 ZINC000431267086 858539232 /nfs/dbraw/zinc/53/92/32/858539232.db2.gz UCDMKHFGWWHQQJ-UHFFFAOYSA-N -1 1 419.890 4.306 20 0 HIADMM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000431313568 858559567 /nfs/dbraw/zinc/55/95/67/858559567.db2.gz PLEQPDBHUGPUOK-YPMHNXCESA-N -1 1 422.761 4.480 20 0 HIADMM Cc1nc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000431327608 858566969 /nfs/dbraw/zinc/56/69/69/858566969.db2.gz IEFMDMAFIMNFJP-UHFFFAOYSA-N -1 1 415.559 4.075 20 0 HIADMM COc1cc(C(=O)Nc2cc([O-])c(Br)cc2Br)ccc1C ZINC000431443385 858617421 /nfs/dbraw/zinc/61/74/21/858617421.db2.gz FDCGVMSHYDBSNN-UHFFFAOYSA-N -1 1 415.081 4.487 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1cccc2c[nH]nc21 ZINC000431446445 858619980 /nfs/dbraw/zinc/61/99/80/858619980.db2.gz BCZMZNWAORVBCK-UHFFFAOYSA-N -1 1 411.053 4.046 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1cccc2cn[nH]c21 ZINC000431446445 858619986 /nfs/dbraw/zinc/61/99/86/858619986.db2.gz BCZMZNWAORVBCK-UHFFFAOYSA-N -1 1 411.053 4.046 20 0 HIADMM Cc1nc(C)c(C(=O)Nc2cc([O-])c(Br)cc2Br)s1 ZINC000431445200 858620142 /nfs/dbraw/zinc/62/01/42/858620142.db2.gz MCJXTTQIEXUUNB-UHFFFAOYSA-N -1 1 406.099 4.243 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1noc(Cc2ccccc2)n1 ZINC000431889656 858857961 /nfs/dbraw/zinc/85/79/61/858857961.db2.gz MHUZLFIYDWWHKU-NSHDSACASA-N -1 1 412.298 4.007 20 0 HIADMM CCc1ccccc1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000431902294 858862808 /nfs/dbraw/zinc/86/28/08/858862808.db2.gz NXMHXZVAGQEBDZ-UHFFFAOYSA-N -1 1 412.486 4.119 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccc3N3CCc4ccccc43)ccc2[nH]1 ZINC000432185955 859036276 /nfs/dbraw/zinc/03/62/76/859036276.db2.gz JTTUKWWBGUFQKT-UHFFFAOYSA-N -1 1 417.490 4.023 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(OCc4cccc(F)c4)c3)ccc2[nH]1 ZINC000432186534 859037902 /nfs/dbraw/zinc/03/79/02/859037902.db2.gz PLSCJPWPHAROCC-UHFFFAOYSA-N -1 1 424.453 4.047 20 0 HIADMM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432190763 859038584 /nfs/dbraw/zinc/03/85/84/859038584.db2.gz GUHWJYGPOBTFOW-UHFFFAOYSA-N -1 1 405.479 4.381 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(Cl)c(Br)c1 ZINC000432363326 859122730 /nfs/dbraw/zinc/12/27/30/859122730.db2.gz AGVCUYLNVRLGQT-UHFFFAOYSA-N -1 1 412.696 4.293 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@]3(C)CCCS3)c2)c1 ZINC000467572286 881391562 /nfs/dbraw/zinc/39/15/62/881391562.db2.gz ZIGNPDMKNCJSHU-NRFANRHFSA-N -1 1 418.584 4.120 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(-c4noc(C5CC5)n4)c3)cc2)co1 ZINC000432491363 859190552 /nfs/dbraw/zinc/19/05/52/859190552.db2.gz VNXZZXJGCDIYEW-UHFFFAOYSA-N -1 1 422.466 4.378 20 0 HIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cc(F)cc2nccnc21 ZINC000432586527 859240324 /nfs/dbraw/zinc/24/03/24/859240324.db2.gz DCCHKOQJWZNBKN-OAHLLOKOSA-N -1 1 405.458 4.341 20 0 HIADMM Cn1cc(-c2ncc(C(=O)[N-]c3nnc([C@@H]4CCCc5ccccc54)s3)s2)cn1 ZINC000432629621 859262539 /nfs/dbraw/zinc/26/25/39/859262539.db2.gz IRFFCBLIALUHJC-OAHLLOKOSA-N -1 1 422.539 4.116 20 0 HIADMM COC(=O)c1c[n-]c(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)n1 ZINC000432658222 859277068 /nfs/dbraw/zinc/27/70/68/859277068.db2.gz MUWBOQVXKGISKD-QMMMGPOBSA-N -1 1 418.525 4.488 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC)c(OCCC(C)C)c2)[n-]c1=O ZINC000432710803 859311417 /nfs/dbraw/zinc/31/14/17/859311417.db2.gz XKANCCYMJRDEIG-RVDMUPIBSA-N -1 1 400.475 4.353 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1Cl ZINC000432758824 859339100 /nfs/dbraw/zinc/33/91/00/859339100.db2.gz GVYVJRLYAXMTNJ-UHFFFAOYSA-N -1 1 403.287 4.070 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c(C)c1 ZINC000432770910 859351796 /nfs/dbraw/zinc/35/17/96/859351796.db2.gz JCXWYIUBLKBAAQ-AWEZNQCLSA-N -1 1 424.950 4.295 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)cc1Cl ZINC000432771501 859352011 /nfs/dbraw/zinc/35/20/11/859352011.db2.gz XFCJDADDZHFIBI-UHFFFAOYSA-N -1 1 405.863 4.040 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)cc1Cl ZINC000432777963 859355227 /nfs/dbraw/zinc/35/52/27/859355227.db2.gz XEESEQURISRQOZ-UHFFFAOYSA-N -1 1 408.907 4.115 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3c(CC)cccc3CC)c2)n1 ZINC000432904069 859420050 /nfs/dbraw/zinc/42/00/50/859420050.db2.gz KXOBVFCHPPBVCX-UHFFFAOYSA-N -1 1 421.501 4.095 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nnc(C4CCC4)n3c2)cc1C(C)C ZINC000432945910 859441479 /nfs/dbraw/zinc/44/14/79/859441479.db2.gz BQTKBPPYBSUKSK-UHFFFAOYSA-N -1 1 414.531 4.238 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc(O)ccc1Cl ZINC000433229056 859580132 /nfs/dbraw/zinc/58/01/32/859580132.db2.gz BIRYKDQXBPWFCI-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CCC[C@@H](NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)c1nn[n-]n1 ZINC000467645974 881442002 /nfs/dbraw/zinc/44/20/02/881442002.db2.gz LEQJCSWABMGCTG-LJQANCHMSA-N -1 1 406.465 4.077 20 0 HIADMM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc(Br)sc2Cl)s1 ZINC000433425450 859694035 /nfs/dbraw/zinc/69/40/35/859694035.db2.gz RHBHEULMPJVFFU-UHFFFAOYSA-N -1 1 415.787 4.143 20 0 HIADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(Br)s2)c1 ZINC000433495602 859733883 /nfs/dbraw/zinc/73/38/83/859733883.db2.gz AQBQAVZSGUEOJP-UHFFFAOYSA-N -1 1 423.741 4.232 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2CN(C)C(=O)c2cccs2)c1 ZINC000433525822 859757039 /nfs/dbraw/zinc/75/70/39/859757039.db2.gz ROAWFRIGSGTECJ-UHFFFAOYSA-N -1 1 414.552 4.384 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)c2C)o1 ZINC000433617674 859812613 /nfs/dbraw/zinc/81/26/13/859812613.db2.gz MJJJDJBPSDEGQQ-UHFFFAOYSA-N -1 1 403.357 4.245 20 0 HIADMM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)sc2Cl)cs1 ZINC000433646215 859823166 /nfs/dbraw/zinc/82/31/66/859823166.db2.gz RUHIEEBVBFVAEC-ZCFIWIBFSA-N -1 1 415.787 4.222 20 0 HIADMM COc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccc1Cl ZINC000434043258 860059114 /nfs/dbraw/zinc/05/91/14/860059114.db2.gz SUTLOGLFFCVJPY-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CCC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000434336585 860297833 /nfs/dbraw/zinc/29/78/33/860297833.db2.gz ZSFXCRADMMRTOF-UHFFFAOYSA-N -1 1 408.479 4.332 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)s1 ZINC000434365181 860314814 /nfs/dbraw/zinc/31/48/14/860314814.db2.gz ZMEYWJVOLSWKEZ-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000434382729 860324934 /nfs/dbraw/zinc/32/49/34/860324934.db2.gz HFPKBIXPYSDRTG-AWEZNQCLSA-N -1 1 409.511 4.283 20 0 HIADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c(O)c1 ZINC000467754383 881565893 /nfs/dbraw/zinc/56/58/93/881565893.db2.gz NUBOPDRCPXUKSP-UHFFFAOYSA-N -1 1 419.842 4.337 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)n(-c2ccncc2)n1 ZINC000435198561 860692391 /nfs/dbraw/zinc/69/23/91/860692391.db2.gz PEQMPYXVCYAHCB-UHFFFAOYSA-N -1 1 404.904 4.245 20 0 HIADMM O=C(NCC1(Cc2ccccc2)CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000435382289 860778161 /nfs/dbraw/zinc/77/81/61/860778161.db2.gz YHTHQMUPTMJPJU-UHFFFAOYSA-N -1 1 420.534 4.240 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCO[C@@H]1c1ccccc1)c1c(Cl)cc(F)cc1Cl ZINC000435439098 860798767 /nfs/dbraw/zinc/79/87/67/860798767.db2.gz RGPNXOWVFQEUAW-MLGOLLRUSA-N -1 1 404.290 4.189 20 0 HIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(Cl)cc(Br)c1F ZINC000435630475 860927461 /nfs/dbraw/zinc/92/74/61/860927461.db2.gz XLHMSWBGXUJKOA-UHFFFAOYSA-N -1 1 404.570 4.364 20 0 HIADMM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1c(Cl)cc(Cl)cc1Cl ZINC000467796143 881619499 /nfs/dbraw/zinc/61/94/99/881619499.db2.gz FSCYIDOCIASMRB-KBPBESRZSA-N -1 1 408.738 4.306 20 0 HIADMM CCOCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438042403 863402633 /nfs/dbraw/zinc/40/26/33/863402633.db2.gz GADVSSVMWIHSRG-UHFFFAOYSA-N -1 1 414.886 4.035 20 0 HIADMM O=C(Cc1ccoc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438059434 863429876 /nfs/dbraw/zinc/42/98/76/863429876.db2.gz OEEILVRGASJFFO-UHFFFAOYSA-N -1 1 408.838 4.054 20 0 HIADMM CCc1ncsc1NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000438240234 863692914 /nfs/dbraw/zinc/69/29/14/863692914.db2.gz YUYBEMDXBGLWDF-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccsc3Cl)cc2)cc1 ZINC000438557173 863987760 /nfs/dbraw/zinc/98/77/60/863987760.db2.gz JQUHNWLDNKODKY-UHFFFAOYSA-N -1 1 422.915 4.463 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)N(Cc3ccccc3)c3ccccc32)c1 ZINC000438587648 864017196 /nfs/dbraw/zinc/01/71/96/864017196.db2.gz CUQDXAFXAJBOSV-KRWDZBQOSA-N -1 1 415.493 4.406 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Br)c3)cc2)co1 ZINC000438711408 864190536 /nfs/dbraw/zinc/19/05/36/864190536.db2.gz CIERIECEGNEUSL-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(Br)ccc3C)cc2)o1 ZINC000438721112 864201478 /nfs/dbraw/zinc/20/14/78/864201478.db2.gz JXVKXXLESIGFLA-UHFFFAOYSA-N -1 1 422.304 4.171 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(Br)c(F)c1 ZINC000438756264 864249104 /nfs/dbraw/zinc/24/91/04/864249104.db2.gz UEVVFVRSAAWBJP-UHFFFAOYSA-N -1 1 400.269 4.178 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000438760563 864254310 /nfs/dbraw/zinc/25/43/10/864254310.db2.gz XGGJRDMXZDEZMB-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000438780651 864274214 /nfs/dbraw/zinc/27/42/14/864274214.db2.gz YPEPPNFPMFBEIB-AREMUKBSSA-N -1 1 403.500 4.243 20 0 HIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)cc2)o1 ZINC000438800696 864291661 /nfs/dbraw/zinc/29/16/61/864291661.db2.gz IFFLOFJMYYEUFS-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1Br ZINC000438801793 864292694 /nfs/dbraw/zinc/29/26/94/864292694.db2.gz BACRTUNSMOOXPU-UHFFFAOYSA-N -1 1 424.238 4.499 20 0 HIADMM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000438991716 864450383 /nfs/dbraw/zinc/45/03/83/864450383.db2.gz ABQJNIDVVIAGPC-LBPRGKRZSA-N -1 1 421.544 4.144 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)C3(C)CC3)ccc2C)cc1 ZINC000439020891 864473380 /nfs/dbraw/zinc/47/33/80/864473380.db2.gz IQNITSMNLCMJEI-QGZVFWFLSA-N -1 1 400.544 4.365 20 0 HIADMM CCN(Cc1ccccn1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000439022604 864474963 /nfs/dbraw/zinc/47/49/63/864474963.db2.gz SUTOJHVXSMJAQZ-UHFFFAOYSA-N -1 1 423.538 4.162 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)C3(C)CC3)cc2)cc1C ZINC000439026984 864482975 /nfs/dbraw/zinc/48/29/75/864482975.db2.gz NDNMHYNJIDXBDV-KRWDZBQOSA-N -1 1 400.544 4.365 20 0 HIADMM COC(=O)c1cc(Br)cc([N-]S(=O)(=O)c2sccc2C)c1Cl ZINC000439054540 864504001 /nfs/dbraw/zinc/50/40/01/864504001.db2.gz FUPGOUWVBQKRAO-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000439062581 864515061 /nfs/dbraw/zinc/51/50/61/864515061.db2.gz YJMIRUNSZDGKBO-OFNKIYASSA-N -1 1 414.505 4.166 20 0 HIADMM Cn1ccc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])cc21 ZINC000439099386 864539558 /nfs/dbraw/zinc/53/95/58/864539558.db2.gz QOUVHDNPNGKYCM-NRFANRHFSA-N -1 1 413.477 4.280 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3cccs3)c2)c1 ZINC000439569771 864892681 /nfs/dbraw/zinc/89/26/81/864892681.db2.gz LVYCSRZZZSUCSD-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000439801697 865119656 /nfs/dbraw/zinc/11/96/56/865119656.db2.gz QPHODXHOLIXPRK-HOCLYGCPSA-N -1 1 404.507 4.196 20 0 HIADMM COc1ccc(Sc2nsc([N-]C(=O)c3cc(F)cc4nccnc43)n2)cc1 ZINC000439859510 865168011 /nfs/dbraw/zinc/16/80/11/865168011.db2.gz UJFPVHYHZFTFCO-UHFFFAOYSA-N -1 1 413.459 4.033 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nncn2C(C)C)c(C)c1 ZINC000439877722 865187925 /nfs/dbraw/zinc/18/79/25/865187925.db2.gz UOZQIJDYMVBWCH-UHFFFAOYSA-N -1 1 400.504 4.034 20 0 HIADMM CCc1cnc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])s1 ZINC000440344675 865621664 /nfs/dbraw/zinc/62/16/64/865621664.db2.gz RHFMMWWRHGTREM-UHFFFAOYSA-N -1 1 403.410 4.194 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1C[C@]12CCc1ccccc12 ZINC000440392903 865686122 /nfs/dbraw/zinc/68/61/22/865686122.db2.gz SPVQTRRYEFWYNH-VWNXMTODSA-N -1 1 418.518 4.330 20 0 HIADMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC1 ZINC000440707472 865871019 /nfs/dbraw/zinc/87/10/19/865871019.db2.gz YODQUFILKIWSGV-LBPRGKRZSA-N -1 1 401.388 4.308 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000440908727 866005029 /nfs/dbraw/zinc/00/50/29/866005029.db2.gz CYXIBLUGFPQIGF-UHFFFAOYSA-N -1 1 400.422 4.195 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000440929650 866026534 /nfs/dbraw/zinc/02/65/34/866026534.db2.gz RIIVZQQAROBTPH-UHFFFAOYSA-N -1 1 416.403 4.229 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)ccc1C ZINC000441756962 866837693 /nfs/dbraw/zinc/83/76/93/866837693.db2.gz VWPDDJZJGTZULY-UHFFFAOYSA-N -1 1 400.422 4.249 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000442025804 867072940 /nfs/dbraw/zinc/07/29/40/867072940.db2.gz GHQZIIRDODWJLK-QFIPXVFZSA-N -1 1 422.506 4.048 20 0 HIADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)cc1 ZINC000442314697 867322327 /nfs/dbraw/zinc/32/23/27/867322327.db2.gz IHZVURPFSVNJAE-UHFFFAOYSA-N -1 1 416.543 4.039 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc(Cl)c1[O-] ZINC000442737141 867657357 /nfs/dbraw/zinc/65/73/57/867657357.db2.gz KXRUXNJQUSJDEU-UHFFFAOYSA-N -1 1 416.905 4.487 20 0 HIADMM CC[C@]1(C)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000468229343 882119946 /nfs/dbraw/zinc/11/99/46/882119946.db2.gz YVFPJQGMKSKWFK-HXUWFJFHSA-N -1 1 408.470 4.028 20 0 HIADMM COc1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)cc(Cl)c1[O-] ZINC000443220189 867880212 /nfs/dbraw/zinc/88/02/12/867880212.db2.gz ICOOCTHSUNAAIX-WQVCFCJDSA-N -1 1 409.910 4.169 20 0 HIADMM COc1cc(-c2nc(Cc3ccc(-n4nc(C)cc4C)cc3)no2)cc(Cl)c1[O-] ZINC000443228733 867883968 /nfs/dbraw/zinc/88/39/68/867883968.db2.gz XDNPPOHIUUIXRK-UHFFFAOYSA-N -1 1 410.861 4.498 20 0 HIADMM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000443318744 867902363 /nfs/dbraw/zinc/90/23/63/867902363.db2.gz HIWPYORWKIFXJF-GOSISDBHSA-N -1 1 424.875 4.242 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000443320029 867903012 /nfs/dbraw/zinc/90/30/12/867903012.db2.gz NDAIVPFJXWEHEE-JTQLQIEISA-N -1 1 403.784 4.486 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@](C)(CC)C3)cc2)cc1 ZINC000468239897 882137737 /nfs/dbraw/zinc/13/77/37/882137737.db2.gz CETXCCYXDIWPBS-QFIPXVFZSA-N -1 1 416.543 4.148 20 0 HIADMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1 ZINC000443409018 867990476 /nfs/dbraw/zinc/99/04/76/867990476.db2.gz MIEFNKITTYDOSV-UHFFFAOYSA-N -1 1 416.524 4.025 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cc1OC ZINC000443453804 868041541 /nfs/dbraw/zinc/04/15/41/868041541.db2.gz NCKGDNMGQTUDGD-UHFFFAOYSA-N -1 1 420.712 4.229 20 0 HIADMM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000443485701 868067010 /nfs/dbraw/zinc/06/70/10/868067010.db2.gz GLBUQKRWDRDCQQ-LBPRGKRZSA-N -1 1 408.372 4.136 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 ZINC000443532325 868089905 /nfs/dbraw/zinc/08/99/05/868089905.db2.gz STEPCXGZRIXUAT-ZDUSSCGKSA-N -1 1 400.456 4.260 20 0 HIADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N[C@@H](C)c2ccccc2)cc1 ZINC000443532776 868090198 /nfs/dbraw/zinc/09/01/98/868090198.db2.gz ULAFMMNPTQFONN-INIZCTEOSA-N -1 1 409.511 4.020 20 0 HIADMM C[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000443554023 868108721 /nfs/dbraw/zinc/10/87/21/868108721.db2.gz SDCCEPGRNSWFRN-MJGOQNOKSA-N -1 1 415.559 4.255 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000443767772 868328351 /nfs/dbraw/zinc/32/83/51/868328351.db2.gz CMLZISCDCZXNHS-MRVPVSSYSA-N -1 1 411.833 4.079 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCOC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000443918063 868453594 /nfs/dbraw/zinc/45/35/94/868453594.db2.gz FDQGPLYWNZXMON-KBXCAEBGSA-N -1 1 422.934 4.060 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1cc(CN2CCSCC2)ccc1C ZINC000444051476 868588058 /nfs/dbraw/zinc/58/80/58/868588058.db2.gz MUQTXFHAMPOCNL-UHFFFAOYSA-N -1 1 408.614 4.067 20 0 HIADMM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444210766 868668453 /nfs/dbraw/zinc/66/84/53/868668453.db2.gz IFZSIQLUOQOCRQ-UHFFFAOYSA-N -1 1 419.168 4.097 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cnc(-c2ccccn2)s1 ZINC000444353318 868781476 /nfs/dbraw/zinc/78/14/76/868781476.db2.gz QFTQZCCDFUZRAB-UHFFFAOYSA-N -1 1 422.510 4.226 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C(C)C)C3)c2)cc1 ZINC000444356387 868782321 /nfs/dbraw/zinc/78/23/21/868782321.db2.gz DHEBEKOEKAECKW-SFHVURJKSA-N -1 1 416.543 4.004 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1[O-] ZINC000444355377 868782385 /nfs/dbraw/zinc/78/23/85/868782385.db2.gz YXXXDKWOZNYBHH-UHFFFAOYSA-N -1 1 422.525 4.142 20 0 HIADMM Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)oc2c1C(=O)CCC2 ZINC000444360384 868787245 /nfs/dbraw/zinc/78/72/45/868787245.db2.gz DAMMWDUSWRQZET-UHFFFAOYSA-N -1 1 410.470 4.127 20 0 HIADMM O=C(CCC(=O)c1cccs1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444375715 868800460 /nfs/dbraw/zinc/80/04/60/868800460.db2.gz QKIXJSYHJIMADC-UHFFFAOYSA-N -1 1 400.500 4.118 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccc(NC(=O)C2CC2)c1 ZINC000444389141 868803998 /nfs/dbraw/zinc/80/39/98/868803998.db2.gz AEWGFZUSTQUMCO-UHFFFAOYSA-N -1 1 421.497 4.056 20 0 HIADMM COc1cc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000444422695 868822391 /nfs/dbraw/zinc/82/23/91/868822391.db2.gz ZIIQEKHPQLBOLW-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000444457126 868834860 /nfs/dbraw/zinc/83/48/60/868834860.db2.gz BBOCSPGOSAWRRE-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000444458367 868836037 /nfs/dbraw/zinc/83/60/37/868836037.db2.gz NTFLZBXUYXOQSY-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)s1 ZINC000444469935 868841748 /nfs/dbraw/zinc/84/17/48/868841748.db2.gz YXCXVKBTZFEDFQ-UHFFFAOYSA-N -1 1 420.376 4.163 20 0 HIADMM CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c(Cl)c1 ZINC000444512166 868863619 /nfs/dbraw/zinc/86/36/19/868863619.db2.gz CUZKOESURJQFCC-UHFFFAOYSA-N -1 1 414.911 4.049 20 0 HIADMM COc1ccc(-c2ncc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)s2)cc1OC ZINC000444755416 868988104 /nfs/dbraw/zinc/98/81/04/868988104.db2.gz XMVNUKZHJRCJRP-UHFFFAOYSA-N -1 1 422.466 4.175 20 0 HIADMM COc1cc(-c2nc(CC(=O)Nc3cccc4ccccc43)no2)cc(Cl)c1[O-] ZINC000445333146 869394393 /nfs/dbraw/zinc/39/43/93/869394393.db2.gz MYBKATDBDHMSPS-UHFFFAOYSA-N -1 1 409.829 4.439 20 0 HIADMM COc1cc(-c2nc(CC(=O)Nc3c(C)cc(C)cc3C)no2)cc(Cl)c1[O-] ZINC000445350644 869416754 /nfs/dbraw/zinc/41/67/54/869416754.db2.gz LDLBWDQNSBTIGV-UHFFFAOYSA-N -1 1 401.850 4.211 20 0 HIADMM COc1cc(-c2noc(C[C@@H]3CCO[C@@H](C(C)C)C3)n2)cc(Br)c1[O-] ZINC000445388718 869474063 /nfs/dbraw/zinc/47/40/63/869474063.db2.gz DIMKNVFYOALTAC-BXUZGUMPSA-N -1 1 411.296 4.207 20 0 HIADMM COc1cc(-c2noc(C[C@@H]3CCOc4ccccc43)n2)cc(Br)c1[O-] ZINC000445388502 869474231 /nfs/dbraw/zinc/47/42/31/869474231.db2.gz CPNCTRYLJGOPPV-NSHDSACASA-N -1 1 417.259 4.322 20 0 HIADMM COc1cc(-c2noc(C[C@H]3CCO[C@@H](C(C)C)C3)n2)cc(Br)c1[O-] ZINC000445388722 869474559 /nfs/dbraw/zinc/47/45/59/869474559.db2.gz DIMKNVFYOALTAC-SMDDNHRTSA-N -1 1 411.296 4.207 20 0 HIADMM COc1cc(-c2noc([C@H](C)Oc3cccc(F)c3)n2)cc(Br)c1[O-] ZINC000445391579 869477386 /nfs/dbraw/zinc/47/73/86/869477386.db2.gz KYWBWMPMWDUWNF-VIFPVBQESA-N -1 1 409.211 4.492 20 0 HIADMM COc1cc(-c2noc(CSCc3ccccn3)n2)cc(Br)c1[O-] ZINC000445393284 869478738 /nfs/dbraw/zinc/47/87/38/869478738.db2.gz QNQCWDJTIRBETE-UHFFFAOYSA-N -1 1 408.277 4.042 20 0 HIADMM COc1cc(-c2noc([C@@H](C)COc3ccccc3)n2)cc(Br)c1[O-] ZINC000445395183 869479848 /nfs/dbraw/zinc/47/98/48/869479848.db2.gz WJABZEAXHYHWKO-NSHDSACASA-N -1 1 405.248 4.396 20 0 HIADMM COc1cc(-c2noc(-c3cccc([C@H]4CCOC4)c3)n2)cc(Br)c1[O-] ZINC000445393872 869480316 /nfs/dbraw/zinc/48/03/16/869480316.db2.gz PYNYZOXSVJIPQH-ZDUSSCGKSA-N -1 1 417.259 4.384 20 0 HIADMM CCOc1ccccc1OCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445396998 869482910 /nfs/dbraw/zinc/48/29/10/869482910.db2.gz BNMADXXKLPIOTP-UHFFFAOYSA-N -1 1 421.247 4.191 20 0 HIADMM COc1cc(-c2noc(-c3cc(C)n([C@@H](C)C4CC4)n3)n2)cc(Br)c1[O-] ZINC000445397915 869483004 /nfs/dbraw/zinc/48/30/04/869483004.db2.gz NOURBHKEERMQPU-JTQLQIEISA-N -1 1 419.279 4.356 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(S(C)(=O)=O)cc(C)c3C)n2)cc(Cl)c1[O-] ZINC000445402965 869488075 /nfs/dbraw/zinc/48/80/75/869488075.db2.gz QFHYHZHRIICCLM-UHFFFAOYSA-N -1 1 422.890 4.182 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(C(=O)NC(C)C)cc3)n2)cc(Cl)c1[O-] ZINC000445410111 869493332 /nfs/dbraw/zinc/49/33/32/869493332.db2.gz DLCBZQXFPXYWMH-UHFFFAOYSA-N -1 1 401.850 4.300 20 0 HIADMM CCOc1cc(-c2noc(Cc3cc(C(C)=O)ccc3OC)n2)cc(Cl)c1[O-] ZINC000445411859 869494361 /nfs/dbraw/zinc/49/43/61/869494361.db2.gz LPXYTAGKYWOIFB-UHFFFAOYSA-N -1 1 402.834 4.296 20 0 HIADMM CCOc1cc(-c2noc(CCc3ccc(OC)c(OC)c3)n2)cc(Cl)c1[O-] ZINC000445423679 869507422 /nfs/dbraw/zinc/50/74/22/869507422.db2.gz ZARWTADDTDCRMT-UHFFFAOYSA-N -1 1 404.850 4.297 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(-c4ccccn4)[nH]c3=O)n2)cc(Cl)c1[O-] ZINC000445429707 869514280 /nfs/dbraw/zinc/51/42/80/869514280.db2.gz BRJWOVJRGASOJC-UHFFFAOYSA-N -1 1 410.817 4.324 20 0 HIADMM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](c1nc(-c3ccc([O-])cc3Cl)no1)CC2 ZINC000445445246 869526128 /nfs/dbraw/zinc/52/61/28/869526128.db2.gz IQLOPZHWSDBECH-VIFPVBQESA-N -1 1 410.783 4.485 20 0 HIADMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)nnn1-c1ccc(OC(F)F)cc1 ZINC000445445573 869527360 /nfs/dbraw/zinc/52/73/60/869527360.db2.gz ACBMJNGCKUNSRC-UHFFFAOYSA-N -1 1 419.775 4.253 20 0 HIADMM O=S(=O)(c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1)C1CCCC1 ZINC000445446016 869527517 /nfs/dbraw/zinc/52/75/17/869527517.db2.gz BWDKVZDQWGSUGY-UHFFFAOYSA-N -1 1 404.875 4.479 20 0 HIADMM COc1ccc(-c2noc(CCCc3nc(-c4ccc([O-])cc4Cl)no3)n2)cc1 ZINC000445450427 869529679 /nfs/dbraw/zinc/52/96/79/869529679.db2.gz SORXURKUIHCKDF-UHFFFAOYSA-N -1 1 412.833 4.330 20 0 HIADMM O=C(c1ccc(F)cc1F)N1CCC(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000445451670 869530990 /nfs/dbraw/zinc/53/09/90/869530990.db2.gz IRZAHGACEHSCKT-UHFFFAOYSA-N -1 1 419.815 4.394 20 0 HIADMM Cn1ccnc1Sc1ncc(-c2nc(-c3ccc([O-])cc3F)no2)cc1Cl ZINC000445456641 869535034 /nfs/dbraw/zinc/53/50/34/869535034.db2.gz PEMBLQMABLSNIN-UHFFFAOYSA-N -1 1 403.826 4.181 20 0 HIADMM Cc1nnc(SCc2nc(-c3ccc([O-])cc3F)no2)n1-c1cc(C)ccc1C ZINC000445464653 869539462 /nfs/dbraw/zinc/53/94/62/869539462.db2.gz VLJAOODTDKDLCQ-UHFFFAOYSA-N -1 1 411.462 4.380 20 0 HIADMM [O-]c1ccc(-c2noc(-c3ncc(Br)cc3Br)n2)cc1F ZINC000445479261 869551311 /nfs/dbraw/zinc/55/13/11/869551311.db2.gz VEKLOHPLWLLRAX-UHFFFAOYSA-N -1 1 415.016 4.168 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(C3CCSCC3)no2)cc1)c1ccc(F)cc1 ZINC000445546656 869604930 /nfs/dbraw/zinc/60/49/30/869604930.db2.gz FNRIYXVHPAYIOF-UHFFFAOYSA-N -1 1 419.503 4.287 20 0 HIADMM Cc1ccc(CNC(=O)Cc2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)cc1 ZINC000445573855 869633631 /nfs/dbraw/zinc/63/36/31/869633631.db2.gz YIHRHZKYDOLYIU-UHFFFAOYSA-N -1 1 415.449 4.402 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)o2)no1 ZINC000445589699 869651189 /nfs/dbraw/zinc/65/11/89/869651189.db2.gz WCKHAFOALDNETD-MRVPVSSYSA-N -1 1 421.784 4.041 20 0 HIADMM Cc1cscc1-c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000445623680 869688411 /nfs/dbraw/zinc/68/84/11/869688411.db2.gz LQTZAQPVVVDMNP-UHFFFAOYSA-N -1 1 419.509 4.341 20 0 HIADMM COC[C@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000445650468 869720710 /nfs/dbraw/zinc/72/07/10/869720710.db2.gz SFTGDMHVQQPTMH-CYBMUJFWSA-N -1 1 410.923 4.060 20 0 HIADMM COc1ccc(C(C)(C)c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)cc1OC ZINC000445684737 869755162 /nfs/dbraw/zinc/75/51/62/869755162.db2.gz PMXHJDFPFNLJMU-UHFFFAOYSA-N -1 1 404.850 4.447 20 0 HIADMM CCSCCCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000445760233 869806348 /nfs/dbraw/zinc/80/63/48/869806348.db2.gz OXRIXGHIBZAYRM-UHFFFAOYSA-N -1 1 403.529 4.223 20 0 HIADMM Cc1cc(Br)cnc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000446790278 870708588 /nfs/dbraw/zinc/70/85/88/870708588.db2.gz ODRLWZWNVNSQMK-UHFFFAOYSA-N -1 1 410.120 4.401 20 0 HIADMM COc1cccc(F)c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000468477709 882436681 /nfs/dbraw/zinc/43/66/81/882436681.db2.gz DUOIHMOPGOBCEJ-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2ncc3n2CCCC3)c1)c1ccc2ncccc2c1 ZINC000446961440 870864461 /nfs/dbraw/zinc/86/44/61/870864461.db2.gz YORJSFVOAYWJBP-UHFFFAOYSA-N -1 1 404.495 4.235 20 0 HIADMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000447261442 871141068 /nfs/dbraw/zinc/14/10/68/871141068.db2.gz XOOBNBQLLMTQGL-UHFFFAOYSA-N -1 1 419.400 4.095 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1Cl ZINC000447266693 871152205 /nfs/dbraw/zinc/15/22/05/871152205.db2.gz MDIXIXHOFIYNSN-UHFFFAOYSA-N -1 1 406.935 4.384 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1C(=O)N1CCCCC1 ZINC000447268917 871154217 /nfs/dbraw/zinc/15/42/17/871154217.db2.gz YDIWWDRFIOGQGO-UHFFFAOYSA-N -1 1 406.935 4.384 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)cc1 ZINC000447272813 871162318 /nfs/dbraw/zinc/16/23/18/871162318.db2.gz XWWXNZNAZFAYEY-UHFFFAOYSA-N -1 1 404.532 4.065 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000447275529 871167637 /nfs/dbraw/zinc/16/76/37/871167637.db2.gz UDAIDSOKRQIQQH-UHFFFAOYSA-N -1 1 410.898 4.214 20 0 HIADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)ccc21 ZINC000447346181 871248278 /nfs/dbraw/zinc/24/82/78/871248278.db2.gz UWMFIAOHJYXPRD-UHFFFAOYSA-N -1 1 400.887 4.203 20 0 HIADMM O=S(=O)(Cc1coc(-c2ccc(Cl)cc2)n1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447478853 871364614 /nfs/dbraw/zinc/36/46/14/871364614.db2.gz GOUSYCQYAGJHTL-UHFFFAOYSA-N -1 1 417.849 4.498 20 0 HIADMM O=S(=O)(Cc1coc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447478853 871364632 /nfs/dbraw/zinc/36/46/32/871364632.db2.gz GOUSYCQYAGJHTL-UHFFFAOYSA-N -1 1 417.849 4.498 20 0 HIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc(OC(F)F)c(F)c1 ZINC000447795099 871732529 /nfs/dbraw/zinc/73/25/29/871732529.db2.gz LTMWCDAOVGSNOF-UHFFFAOYSA-N -1 1 400.422 4.218 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)c1 ZINC000448042714 871875141 /nfs/dbraw/zinc/87/51/41/871875141.db2.gz KQELYZMZSIZRJM-UHFFFAOYSA-N -1 1 414.527 4.061 20 0 HIADMM Cc1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(C)s1 ZINC000468547018 882590042 /nfs/dbraw/zinc/59/00/42/882590042.db2.gz GFAQONMOVIFIOR-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM Cc1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c(C)s1 ZINC000468563377 882619277 /nfs/dbraw/zinc/61/92/77/882619277.db2.gz DWCVVALTPXYIQX-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM COc1cc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(Cl)c1[O-] ZINC000460204116 872784186 /nfs/dbraw/zinc/78/41/86/872784186.db2.gz SZUDMJKNXWZWNI-ZIAGYGMSSA-N -1 1 416.905 4.425 20 0 HIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nc1-c1ccccc1 ZINC000460424452 873084860 /nfs/dbraw/zinc/08/48/60/873084860.db2.gz JSNGSQRBQJZXCO-LBPRGKRZSA-N -1 1 400.891 4.325 20 0 HIADMM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000460452748 873129231 /nfs/dbraw/zinc/12/92/31/873129231.db2.gz XPQRNDQUWZHNMV-GOSISDBHSA-N -1 1 420.575 4.148 20 0 HIADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3Br)cc2)n[nH]1 ZINC000468611476 882721024 /nfs/dbraw/zinc/72/10/24/882721024.db2.gz VTEWOBRIFKUOJN-UHFFFAOYSA-N -1 1 422.304 4.382 20 0 HIADMM CCCc1ncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000460715746 873508278 /nfs/dbraw/zinc/50/82/78/873508278.db2.gz LRSXUNZQIVIRMF-UHFFFAOYSA-N -1 1 401.513 4.149 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccccc3CC(F)(F)F)c3cccc1c23 ZINC000460819654 873703125 /nfs/dbraw/zinc/70/31/25/873703125.db2.gz IRQMFGFBBVAGRA-UHFFFAOYSA-N -1 1 406.385 4.311 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C)c3)c2)cc1 ZINC000460832014 873719731 /nfs/dbraw/zinc/71/97/31/873719731.db2.gz WFDYIOJAWZANDY-UHFFFAOYSA-N -1 1 424.522 4.358 20 0 HIADMM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460836855 873725548 /nfs/dbraw/zinc/72/55/48/873725548.db2.gz MJVXJBNFAVZVHU-UHFFFAOYSA-N -1 1 407.557 4.191 20 0 HIADMM C[C@H](C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000460859608 873762977 /nfs/dbraw/zinc/76/29/77/873762977.db2.gz DXPRRGBHLWCISY-INIZCTEOSA-N -1 1 412.486 4.046 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)cc2)c1C ZINC000460954541 873852610 /nfs/dbraw/zinc/85/26/10/873852610.db2.gz HOPQKLRVNFXYSJ-OAQYLSRUSA-N -1 1 412.555 4.365 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000461116849 874041494 /nfs/dbraw/zinc/04/14/94/874041494.db2.gz NQZIBEUOCRVVMT-UHFFFAOYSA-N -1 1 415.964 4.059 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000461131076 874066786 /nfs/dbraw/zinc/06/67/86/874066786.db2.gz PXVFBOXBIVSSNA-UHFFFAOYSA-N -1 1 406.935 4.158 20 0 HIADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(Br)c(Cl)c3)cc2nn1C ZINC000461330372 874340322 /nfs/dbraw/zinc/34/03/22/874340322.db2.gz HFQLPVZFWLMCKW-UHFFFAOYSA-N -1 1 414.712 4.098 20 0 HIADMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000461361057 874363946 /nfs/dbraw/zinc/36/39/46/874363946.db2.gz MRNXVLXEUQILRC-NRFANRHFSA-N -1 1 418.541 4.273 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CCC1 ZINC000461400547 874410773 /nfs/dbraw/zinc/41/07/73/874410773.db2.gz GKPUIMYLULHFBV-UHFFFAOYSA-N -1 1 412.433 4.131 20 0 HIADMM CCCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000461418045 874439773 /nfs/dbraw/zinc/43/97/73/874439773.db2.gz AQBDWRQWQARZCE-AWEZNQCLSA-N -1 1 410.486 4.416 20 0 HIADMM CC(C)C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000461419584 874441158 /nfs/dbraw/zinc/44/11/58/874441158.db2.gz GRRXBGCLSDIUKB-UHFFFAOYSA-N -1 1 404.507 4.135 20 0 HIADMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000461425034 874458075 /nfs/dbraw/zinc/45/80/75/874458075.db2.gz HDPPKKIGPRSBTJ-UHFFFAOYSA-N -1 1 409.573 4.279 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000461488669 874552659 /nfs/dbraw/zinc/55/26/59/874552659.db2.gz LOUVKXXKNJAGHT-JXFKEZNVSA-N -1 1 416.518 4.340 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1nc(C)cs1 ZINC000461578155 874683189 /nfs/dbraw/zinc/68/31/89/874683189.db2.gz NUDAPWBPKQOMAD-UHFFFAOYSA-N -1 1 419.503 4.058 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)ccc1F ZINC000468862173 882894760 /nfs/dbraw/zinc/89/47/60/882894760.db2.gz HZIRBCFAABYKBT-UHFFFAOYSA-N -1 1 418.412 4.254 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c(Cl)c1 ZINC000462078834 875188748 /nfs/dbraw/zinc/18/87/48/875188748.db2.gz JBGDDIWEIAZFRC-UHFFFAOYSA-N -1 1 401.871 4.430 20 0 HIADMM CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000462079605 875188977 /nfs/dbraw/zinc/18/89/77/875188977.db2.gz GQDVQGPWIXWHEH-UHFFFAOYSA-N -1 1 421.368 4.132 20 0 HIADMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccco1 ZINC000462104751 875211864 /nfs/dbraw/zinc/21/18/64/875211864.db2.gz SURJBEKEOUJRSO-INIZCTEOSA-N -1 1 417.430 4.436 20 0 HIADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21 ZINC000462352031 875466773 /nfs/dbraw/zinc/46/67/73/875466773.db2.gz KIXWMMXCRVOFEQ-UHFFFAOYSA-N -1 1 423.943 4.314 20 0 HIADMM COCCCN1Cc2cccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2C1 ZINC000462380623 875492697 /nfs/dbraw/zinc/49/26/97/875492697.db2.gz QAKKGPNGQQVFDR-UHFFFAOYSA-N -1 1 402.560 4.073 20 0 HIADMM Cc1csc([C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C2CC2)n1 ZINC000462415211 875522903 /nfs/dbraw/zinc/52/29/03/875522903.db2.gz GIBZFSROMBPTLO-LLVKDONJSA-N -1 1 407.380 4.014 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000462657861 875762947 /nfs/dbraw/zinc/76/29/47/875762947.db2.gz ITMGZSPYGJGQHP-MRVPVSSYSA-N -1 1 411.833 4.079 20 0 HIADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)Oc1cccc(F)c1 ZINC000462706822 875791361 /nfs/dbraw/zinc/79/13/61/875791361.db2.gz CSVKURNMHQOOCQ-JTQLQIEISA-N -1 1 411.804 4.244 20 0 HIADMM O=S(=O)([N-]C1CC(c2ccc(F)c(Cl)c2)C1)c1ccc(Br)o1 ZINC000462796237 875845734 /nfs/dbraw/zinc/84/57/34/875845734.db2.gz LSBLHTNKVFHPKG-UHFFFAOYSA-N -1 1 408.676 4.059 20 0 HIADMM CCN(CC(C)(C)C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000463014069 876031315 /nfs/dbraw/zinc/03/13/15/876031315.db2.gz RTOJTVKUDMBQIW-UHFFFAOYSA-N -1 1 406.523 4.064 20 0 HIADMM CCc1ccc(-c2ccc(C(=O)Nc3ccc([N-]S(C)(=O)=O)c(OC)c3)o2)cc1 ZINC000463116189 876156050 /nfs/dbraw/zinc/15/60/50/876156050.db2.gz OURQKJSPNVVRIP-UHFFFAOYSA-N -1 1 414.483 4.141 20 0 HIADMM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1ccc(Br)o1 ZINC000463159205 876212917 /nfs/dbraw/zinc/21/29/17/876212917.db2.gz DPYCLZZLTPPGJZ-UHFFFAOYSA-N -1 1 402.035 4.386 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1OC(C)C ZINC000463786873 876905791 /nfs/dbraw/zinc/90/57/91/876905791.db2.gz LTCSAQUJJOYNMC-UHFFFAOYSA-N -1 1 400.294 4.046 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Br)c1c(F)cccc1Cl ZINC000463791490 876910265 /nfs/dbraw/zinc/91/02/65/876910265.db2.gz RSTGRJJSFXZDLE-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000463904695 877026923 /nfs/dbraw/zinc/02/69/23/877026923.db2.gz FAYQQPQPKZGHJK-UONOGXRCSA-N -1 1 410.486 4.320 20 0 HIADMM CC[C@H](C)C[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000463912824 877034315 /nfs/dbraw/zinc/03/43/15/877034315.db2.gz BSRDSZOOKRGYDH-JKSUJKDBSA-N -1 1 406.523 4.110 20 0 HIADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000463914403 877035247 /nfs/dbraw/zinc/03/52/47/877035247.db2.gz GJXGJMPXYZZIHD-HZPDHXFCSA-N -1 1 404.532 4.051 20 0 HIADMM CC[C@H](C)C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000463914404 877035398 /nfs/dbraw/zinc/03/53/98/877035398.db2.gz GJXGJMPXYZZIHD-JKSUJKDBSA-N -1 1 404.532 4.051 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC(C)(C)c2c(F)cccc2Cl)c(=O)[n-]1 ZINC000464162214 877328722 /nfs/dbraw/zinc/32/87/22/877328722.db2.gz YUUHKSBWPOCAIW-UHFFFAOYSA-N -1 1 411.930 4.032 20 0 HIADMM O=S(=O)([N-][C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc(F)ccc1F ZINC000503245870 912227183 /nfs/dbraw/zinc/22/71/83/912227183.db2.gz LJMFDNRPTDQSSZ-GOSISDBHSA-N -1 1 408.857 4.276 20 0 HIADMM CCN(CC(C)(C)C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000464230343 877405805 /nfs/dbraw/zinc/40/58/05/877405805.db2.gz GJWSIGUZCCAGGU-UHFFFAOYSA-N -1 1 403.548 4.065 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCCCC4)cc2)c(C)s1 ZINC000464432301 877643998 /nfs/dbraw/zinc/64/39/98/877643998.db2.gz YVCYGCAHZSOKHC-UHFFFAOYSA-N -1 1 416.572 4.074 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[C@H]1c1ccccc1 ZINC000464515526 877738645 /nfs/dbraw/zinc/73/86/45/877738645.db2.gz DHNKUDLBCNXTGV-OPAMFIHVSA-N -1 1 424.497 4.460 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000464581817 877806138 /nfs/dbraw/zinc/80/61/38/877806138.db2.gz JBWDYFMUPCSWQG-JOCHJYFZSA-N -1 1 400.544 4.448 20 0 HIADMM COc1ccc(-c2cc3[n-]c(CN(C)CCc4cccs4)nc(=O)c3s2)cc1 ZINC000464764562 878007801 /nfs/dbraw/zinc/00/78/01/878007801.db2.gz HKHRFHOCAQMWKU-UHFFFAOYSA-N -1 1 411.552 4.396 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1 ZINC000464838961 878102989 /nfs/dbraw/zinc/10/29/89/878102989.db2.gz XHQWLMAXHUTRFH-UHFFFAOYSA-N -1 1 401.406 4.159 20 0 HIADMM CC(C)CC1(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCC1 ZINC000464931958 878259976 /nfs/dbraw/zinc/25/99/76/878259976.db2.gz MPXFNBKQMYIXMM-UHFFFAOYSA-N -1 1 400.544 4.320 20 0 HIADMM Cc1c(F)cccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000465278222 878712344 /nfs/dbraw/zinc/71/23/44/878712344.db2.gz OCYFJFDLGAGSHB-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000465287055 878724450 /nfs/dbraw/zinc/72/44/50/878724450.db2.gz RDGYZAQKYWMBHX-JXFKEZNVSA-N -1 1 400.544 4.365 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)C[C@H]3CC)cc2)cc1 ZINC000465292173 878730368 /nfs/dbraw/zinc/73/03/68/878730368.db2.gz SCIPMMOAIQNULD-VQIMIIECSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](CC(C)C)C3)cc2)ccc1F ZINC000465314643 878759218 /nfs/dbraw/zinc/75/92/18/878759218.db2.gz HISCCGRSTIIMEV-KRWDZBQOSA-N -1 1 418.534 4.443 20 0 HIADMM CC[C@H](C)C[C@H](C)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000465828515 879460869 /nfs/dbraw/zinc/46/08/69/879460869.db2.gz BIWPZXDAKCUHRE-IRXDYDNUSA-N -1 1 403.548 4.111 20 0 HIADMM CC1(C)CCCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000465834863 879470893 /nfs/dbraw/zinc/47/08/93/879470893.db2.gz MDKLQWKNMYIUDP-UHFFFAOYSA-N -1 1 415.559 4.209 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(-c4cnc(C)o4)cc3)cc2F)c1 ZINC000466346830 880103260 /nfs/dbraw/zinc/10/32/60/880103260.db2.gz MHDPTZOQTASXPT-UHFFFAOYSA-N -1 1 412.446 4.084 20 0 HIADMM C[C@H]1CCC[C@@H]1CNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466714879 880504582 /nfs/dbraw/zinc/50/45/82/880504582.db2.gz CQIJYBOCOSEIBB-PKOBYXMFSA-N -1 1 415.559 4.065 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)cc1 ZINC000467078811 880852631 /nfs/dbraw/zinc/85/26/31/880852631.db2.gz JMDQOTJMAPPADB-UHFFFAOYSA-N -1 1 417.527 4.210 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1 ZINC000467080612 880852702 /nfs/dbraw/zinc/85/27/02/880852702.db2.gz VGSKAMWIELQSPW-UHFFFAOYSA-N -1 1 418.559 4.394 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(OC)c2)cc1 ZINC000467086030 880854535 /nfs/dbraw/zinc/85/45/35/880854535.db2.gz PPARSQPQEVYIMV-UHFFFAOYSA-N -1 1 416.543 4.310 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)NCc2ccc(Cl)s2)nc1-c1ccccc1 ZINC000467206615 880936296 /nfs/dbraw/zinc/93/62/96/880936296.db2.gz MAJHXWBLNQFLCI-UHFFFAOYSA-N -1 1 405.932 4.281 20 0 HIADMM COc1ccc2c(c1)CCCN2C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467209311 880937808 /nfs/dbraw/zinc/93/78/08/880937808.db2.gz ZTFJSQKYZAVYGZ-UHFFFAOYSA-N -1 1 421.522 4.238 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c(C(F)(F)F)c1 ZINC000467403366 881187412 /nfs/dbraw/zinc/18/74/12/881187412.db2.gz JUZLNBTWWGNLOS-UHFFFAOYSA-N -1 1 401.406 4.228 20 0 HIADMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc3nc(C4CCCCC4)[nH]c3c2)c1C ZINC000467424098 881212493 /nfs/dbraw/zinc/21/24/93/881212493.db2.gz GXLYXMAXACUZIX-UHFFFAOYSA-N -1 1 401.536 4.245 20 0 HIADMM CC[C@H]1CN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CC[C@H]1c1ccccc1 ZINC000470205716 884522516 /nfs/dbraw/zinc/52/25/16/884522516.db2.gz FJWRSNCNCHYXNY-GHTZIAJQSA-N -1 1 416.525 4.137 20 0 HIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)c1OC ZINC000470628247 885054434 /nfs/dbraw/zinc/05/44/34/885054434.db2.gz WGVPCQBFLBXEEX-UHFFFAOYSA-N -1 1 411.817 4.406 20 0 HIADMM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000470845372 885340562 /nfs/dbraw/zinc/34/05/62/885340562.db2.gz PNJFYPQEPNZZGF-KGLIPLIRSA-N -1 1 408.470 4.026 20 0 HIADMM CC[C@@H](C)CN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000470855299 885352574 /nfs/dbraw/zinc/35/25/74/885352574.db2.gz RHUZWEPAJNYZBI-CQSZACIVSA-N -1 1 410.486 4.274 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3)ccc2C)ccc1F ZINC000471617624 886333998 /nfs/dbraw/zinc/33/39/98/886333998.db2.gz IZGPILQDQNAXBB-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccn(C2CCCCC2)n1 ZINC000471640618 886357261 /nfs/dbraw/zinc/35/72/61/886357261.db2.gz ATHJBGQLLVDIDX-UHFFFAOYSA-N -1 1 424.526 4.441 20 0 HIADMM CCc1oc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000471694408 886401409 /nfs/dbraw/zinc/40/14/09/886401409.db2.gz UIIKGXACCBMWSV-UHFFFAOYSA-N -1 1 412.511 4.223 20 0 HIADMM Cc1nc2cc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)ccc2o1 ZINC000471738165 886459888 /nfs/dbraw/zinc/45/98/88/886459888.db2.gz BHIXVIKRLKAYOQ-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(CC)(CC)C3)c2)cc1 ZINC000504163707 913052729 /nfs/dbraw/zinc/05/27/29/913052729.db2.gz IKLPXPGQBIIVRX-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(F)cc3Cl)n2)cc1 ZINC000471887394 886668422 /nfs/dbraw/zinc/66/84/22/886668422.db2.gz WBEHAQGICJLWLO-NSHDSACASA-N -1 1 409.870 4.131 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000471914821 886701865 /nfs/dbraw/zinc/70/18/65/886701865.db2.gz KTLMBXVDPCKIJF-UHFFFAOYSA-N -1 1 423.332 4.215 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000471935055 886732908 /nfs/dbraw/zinc/73/29/08/886732908.db2.gz ZNVXRWUVXIWXGH-UHFFFAOYSA-N -1 1 409.349 4.282 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000472002872 886828611 /nfs/dbraw/zinc/82/86/11/886828611.db2.gz OVCPTGVFMTTYTE-UHFFFAOYSA-N -1 1 409.573 4.357 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@H]1Cc1ccccc1 ZINC000472182060 886982648 /nfs/dbraw/zinc/98/26/48/886982648.db2.gz LDUDAVKRVYQBTE-NRFANRHFSA-N -1 1 424.497 4.084 20 0 HIADMM Cc1ccc(C(=O)N(C(C)C)C2CCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000472263846 887075882 /nfs/dbraw/zinc/07/58/82/887075882.db2.gz ULOGRVACLYDYEX-UHFFFAOYSA-N -1 1 404.507 4.338 20 0 HIADMM Cc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)ccc1C(=O)[O-] ZINC000504254605 913119955 /nfs/dbraw/zinc/11/99/55/913119955.db2.gz USPFYGHGAOXPBU-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM Cc1ncsc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000473287366 888042336 /nfs/dbraw/zinc/04/23/36/888042336.db2.gz LDAXMMCYZJSXKH-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCc1nc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)s1 ZINC000473371628 888089619 /nfs/dbraw/zinc/08/96/19/888089619.db2.gz KDLXQCCQPMFLMB-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc(C)c(O)c3C)cc2c1C ZINC000473411214 888129850 /nfs/dbraw/zinc/12/98/50/888129850.db2.gz VOSDVUFPGAUTGL-UHFFFAOYSA-N -1 1 403.456 4.041 20 0 HIADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000473432052 888151669 /nfs/dbraw/zinc/15/16/69/888151669.db2.gz GWUWQZNGCBWFFS-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM CC1CC(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)C1 ZINC000473454886 888180301 /nfs/dbraw/zinc/18/03/01/888180301.db2.gz PDCYXDUQGMWOFK-UHFFFAOYSA-N -1 1 412.433 4.035 20 0 HIADMM CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000473480667 888203402 /nfs/dbraw/zinc/20/34/02/888203402.db2.gz RRKXYGGRGCJJDC-GOSISDBHSA-N -1 1 412.939 4.091 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473944823 888820856 /nfs/dbraw/zinc/82/08/56/888820856.db2.gz MROJKCVVTDRUCU-TZMCWYRMSA-N -1 1 404.290 4.331 20 0 HIADMM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000474073655 888899862 /nfs/dbraw/zinc/89/98/62/888899862.db2.gz INSLQPGZPHSBMX-KGLIPLIRSA-N -1 1 420.918 4.085 20 0 HIADMM CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000474086651 888911904 /nfs/dbraw/zinc/91/19/04/888911904.db2.gz CTPNNFKLIDNWEX-SCLBCKFNSA-N -1 1 410.923 4.140 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCCCC3)c1C ZINC000504525177 913307501 /nfs/dbraw/zinc/30/75/01/913307501.db2.gz VZISBQSVNHHCTK-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000474317262 889182873 /nfs/dbraw/zinc/18/28/73/889182873.db2.gz XADAZIWACDPYGX-UHFFFAOYSA-N -1 1 401.517 4.043 20 0 HIADMM Cc1cccc(NC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000474349900 889225916 /nfs/dbraw/zinc/22/59/16/889225916.db2.gz KWJOSGGNQNJDBJ-UHFFFAOYSA-N -1 1 413.474 4.257 20 0 HIADMM CCc1oc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1C ZINC000474533642 889407204 /nfs/dbraw/zinc/40/72/04/889407204.db2.gz KHBNUGPMZNBLBR-UHFFFAOYSA-N -1 1 416.474 4.020 20 0 HIADMM Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(F)c1 ZINC000474539164 889414416 /nfs/dbraw/zinc/41/44/16/889414416.db2.gz QTTZYNWYCDHHTG-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CCc1nc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c(C)o1 ZINC000504584894 913345666 /nfs/dbraw/zinc/34/56/66/913345666.db2.gz DWINBAHYPJVJSD-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM Cc1ccccc1NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474567647 889444199 /nfs/dbraw/zinc/44/41/99/889444199.db2.gz TZTLGLQSGTZLGM-UHFFFAOYSA-N -1 1 413.474 4.257 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474877458 889732133 /nfs/dbraw/zinc/73/21/33/889732133.db2.gz ZGLUUVRTLVVILP-HNNXBMFYSA-N -1 1 423.435 4.021 20 0 HIADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474882496 889739112 /nfs/dbraw/zinc/73/91/12/889739112.db2.gz SDYVZBXZYHNCJQ-QFBILLFUSA-N -1 1 402.516 4.021 20 0 HIADMM CC1CCC(OCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000474894314 889751706 /nfs/dbraw/zinc/75/17/06/889751706.db2.gz HQJANRUHCIIWBT-UHFFFAOYSA-N -1 1 402.516 4.021 20 0 HIADMM C[C@H](Sc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1)C(=O)[O-] ZINC000504657641 913399877 /nfs/dbraw/zinc/39/98/77/913399877.db2.gz GWGRXDXTDWROSK-VIFPVBQESA-N -1 1 406.312 4.359 20 0 HIADMM O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000504681527 913420964 /nfs/dbraw/zinc/42/09/64/913420964.db2.gz ZPAKTECAYKCFJX-UHFFFAOYSA-N -1 1 423.796 4.013 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(C4CCOCC4)no3)cc2)cc1C ZINC000504681863 913421224 /nfs/dbraw/zinc/42/12/24/913421224.db2.gz CMUBUAYAGHBCAK-UHFFFAOYSA-N -1 1 413.499 4.048 20 0 HIADMM CC[C@H](C)CN(CC)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475337644 890258088 /nfs/dbraw/zinc/25/80/88/890258088.db2.gz QPBODXDJGWXJDN-INIZCTEOSA-N -1 1 421.538 4.204 20 0 HIADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000475547092 890472499 /nfs/dbraw/zinc/47/24/99/890472499.db2.gz IFMULFSJSGTHLV-NRFANRHFSA-N -1 1 402.498 4.076 20 0 HIADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000475651877 890595610 /nfs/dbraw/zinc/59/56/10/890595610.db2.gz DWGIUNDIAFMUMS-MOPGFXCFSA-N -1 1 418.584 4.234 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)c(Br)c1 ZINC000475812625 890747129 /nfs/dbraw/zinc/74/71/29/890747129.db2.gz JIRUCOOBLYITGN-UHFFFAOYSA-N -1 1 402.335 4.122 20 0 HIADMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cc4n[nH]cc4cc3C)ccc2s1 ZINC000475817201 890751627 /nfs/dbraw/zinc/75/16/27/890751627.db2.gz VLPCJWVUMXBZIQ-UHFFFAOYSA-N -1 1 415.496 4.064 20 0 HIADMM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cc4c5c(c3)CCCN5C(=O)C4)c2)o1 ZINC000475820124 890754696 /nfs/dbraw/zinc/75/46/96/890754696.db2.gz ULKPESRPCKEDHJ-UHFFFAOYSA-N -1 1 422.506 4.200 20 0 HIADMM Cc1nnc(-c2cc(F)ccc2[N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)o1 ZINC000475824788 890759614 /nfs/dbraw/zinc/75/96/14/890759614.db2.gz FDXFVGZSKWAEDB-UHFFFAOYSA-N -1 1 405.451 4.081 20 0 HIADMM Cc1nnc(-c2cc(F)ccc2[N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)o1 ZINC000475826637 890761431 /nfs/dbraw/zinc/76/14/31/890761431.db2.gz NZJCCHRLCHJIFU-UHFFFAOYSA-N -1 1 419.478 4.410 20 0 HIADMM Cc1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)nn1-c1c(Cl)cccc1Cl ZINC000476146282 891070192 /nfs/dbraw/zinc/07/01/92/891070192.db2.gz IGHIZVCBNJHEGN-UHFFFAOYSA-N -1 1 411.318 4.284 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cccc(Br)c3C)c2)n1 ZINC000476246116 891170559 /nfs/dbraw/zinc/17/05/59/891170559.db2.gz LYMWYFMAHALQKY-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000476266034 891187787 /nfs/dbraw/zinc/18/77/87/891187787.db2.gz OUCLWKOHRMKFAT-UHFFFAOYSA-N -1 1 400.422 4.409 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)Cc3ccccc3)c2)c1 ZINC000476408647 891322298 /nfs/dbraw/zinc/32/22/98/891322298.db2.gz KLVYRYJYIXAXIG-MHZLTWQESA-N -1 1 417.527 4.384 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)c(C)c1C ZINC000476423503 891334825 /nfs/dbraw/zinc/33/48/25/891334825.db2.gz BNBWFVLDALWTPE-UHFFFAOYSA-N -1 1 417.462 4.179 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(CC(=O)Nc3ccccc3F)cc2)c1 ZINC000476426664 891338822 /nfs/dbraw/zinc/33/88/22/891338822.db2.gz BLGKOSGZZNMBLX-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cccc(Oc4cnccn4)c3)ccc21 ZINC000476482128 891392373 /nfs/dbraw/zinc/39/23/73/891392373.db2.gz KHIKCDLPBYNIKE-UHFFFAOYSA-N -1 1 409.471 4.000 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c2ccccc12 ZINC000476532017 891445342 /nfs/dbraw/zinc/44/53/42/891445342.db2.gz GKNYAWPWWLIRER-UHFFFAOYSA-N -1 1 419.300 4.362 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1 ZINC000476578597 891503104 /nfs/dbraw/zinc/50/31/04/891503104.db2.gz ZBMVUHRFMLACNU-NXHRZFHOSA-N -1 1 400.544 4.302 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ncc3n2CCCC3)cc1)c1ccc2ncccc2c1 ZINC000476935044 891878076 /nfs/dbraw/zinc/87/80/76/891878076.db2.gz YBKQHZGJVPQTJS-UHFFFAOYSA-N -1 1 404.495 4.235 20 0 HIADMM CC(C)(C)C(C)(C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000476935322 891878680 /nfs/dbraw/zinc/87/86/80/891878680.db2.gz UPDSKTBMAABRKV-UHFFFAOYSA-N -1 1 406.523 4.315 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@H]1CC12CCCCC2 ZINC000477017100 891944549 /nfs/dbraw/zinc/94/45/49/891944549.db2.gz FOTWJCUKFXMLIV-OAQYLSRUSA-N -1 1 412.555 4.416 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3scnc3C3CC3)c2)cc1 ZINC000477103233 892036183 /nfs/dbraw/zinc/03/61/83/892036183.db2.gz VCUDKEDOEDKQTN-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)C2c3ccccc3-c3ccccc32)c(=O)[n-]1 ZINC000477528983 892556434 /nfs/dbraw/zinc/55/64/34/892556434.db2.gz SUJSJQGUZLARLO-UHFFFAOYSA-N -1 1 405.523 4.374 20 0 HIADMM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000504985424 913730359 /nfs/dbraw/zinc/73/03/59/913730359.db2.gz NBPWICSRPIHZAQ-UHFFFAOYSA-N -1 1 415.723 4.136 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc(-c3ccncc3)no2)cc1 ZINC000505008720 913751034 /nfs/dbraw/zinc/75/10/34/913751034.db2.gz JCHVCLZTXQBXEL-UHFFFAOYSA-N -1 1 412.858 4.253 20 0 HIADMM COC1(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCC1 ZINC000478233190 893395495 /nfs/dbraw/zinc/39/54/95/893395495.db2.gz SSKHYWCFXYPROT-UHFFFAOYSA-N -1 1 422.934 4.347 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCC(C)(C)C3)cc2)cc1 ZINC000478241810 893406428 /nfs/dbraw/zinc/40/64/28/893406428.db2.gz WWNXIVHIILHSQU-GOSISDBHSA-N -1 1 416.543 4.147 20 0 HIADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000478455258 893774936 /nfs/dbraw/zinc/77/49/36/893774936.db2.gz AKZHDJXPPSTPGN-GOSISDBHSA-N -1 1 400.544 4.386 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H]3Cc3ccccc3)cc2)cc1 ZINC000478546679 893843089 /nfs/dbraw/zinc/84/30/89/893843089.db2.gz FGRYDBYJWROBJO-QFIPXVFZSA-N -1 1 420.534 4.253 20 0 HIADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(F)cc1-c1cnn(C)c1 ZINC000478699484 893961582 /nfs/dbraw/zinc/96/15/82/893961582.db2.gz CLMMLBXXGLOPKV-UHFFFAOYSA-N -1 1 424.295 4.098 20 0 HIADMM Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cn1 ZINC000478699039 893961851 /nfs/dbraw/zinc/96/18/51/893961851.db2.gz PRZIHTMWZOHCJH-UHFFFAOYSA-N -1 1 413.396 4.132 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000478747071 894022952 /nfs/dbraw/zinc/02/29/52/894022952.db2.gz ORNNKLVRRZQOQF-FQEVSTJZSA-N -1 1 404.514 4.389 20 0 HIADMM CCSc1ccc([C@@H](C)NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000505160958 913851440 /nfs/dbraw/zinc/85/14/40/913851440.db2.gz UARMLTGORXQXAC-OAHLLOKOSA-N -1 1 422.554 4.475 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(-c2ccccc2)[nH]n1 ZINC000479077194 894341945 /nfs/dbraw/zinc/34/19/45/894341945.db2.gz HCEBBOAEDRAYOM-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM O=S(=O)([N-]c1cc(-c2cc(F)cc(F)c2)n[nH]1)c1ccc(CC(F)(F)F)cc1 ZINC000479132220 894400238 /nfs/dbraw/zinc/40/02/38/894400238.db2.gz IQRBWHLXTXTSGF-UHFFFAOYSA-N -1 1 417.359 4.261 20 0 HIADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000479164566 894432950 /nfs/dbraw/zinc/43/29/50/894432950.db2.gz ZPFFJPMPYXFSAA-UHFFFAOYSA-N -1 1 415.515 4.429 20 0 HIADMM Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479230440 894492692 /nfs/dbraw/zinc/49/26/92/894492692.db2.gz DVANXNVCOYWHIB-UHFFFAOYSA-N -1 1 405.806 4.057 20 0 HIADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc3ccccc3)c1C)OCO2 ZINC000479234782 894496521 /nfs/dbraw/zinc/49/65/21/894496521.db2.gz DSOVEVNZFIONDC-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1[N-]S(C)(=O)=O ZINC000479352654 894648575 /nfs/dbraw/zinc/64/85/75/894648575.db2.gz XMQIVKIBKCSPNR-ZDUSSCGKSA-N -1 1 417.487 4.004 20 0 HIADMM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(F)c1 ZINC000479370938 894672108 /nfs/dbraw/zinc/67/21/08/894672108.db2.gz AAKBXRDILMPOFU-UHFFFAOYSA-N -1 1 402.447 4.130 20 0 HIADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)cc1 ZINC000479414612 894723237 /nfs/dbraw/zinc/72/32/37/894723237.db2.gz WKXCQBIKBMBPIZ-OAHLLOKOSA-N -1 1 420.506 4.040 20 0 HIADMM CC[C@H]1[C@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000479420678 894732305 /nfs/dbraw/zinc/73/23/05/894732305.db2.gz RGDUDKPKDHKKLK-QRWLVFNGSA-N -1 1 404.507 4.196 20 0 HIADMM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc4ncsc4c3)cc2)n1 ZINC000479477272 894801391 /nfs/dbraw/zinc/80/13/91/894801391.db2.gz CFDJTSATJIMVPH-UHFFFAOYSA-N -1 1 400.485 4.271 20 0 HIADMM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)ccc1Cl ZINC000479480704 894803364 /nfs/dbraw/zinc/80/33/64/894803364.db2.gz NCDKIWVRVWKDHI-UHFFFAOYSA-N -1 1 415.854 4.070 20 0 HIADMM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc4cc(Br)ccc4c3)ccc2o1 ZINC000479490957 894811878 /nfs/dbraw/zinc/81/18/78/894811878.db2.gz QSSIRGLQRHMKJE-UHFFFAOYSA-N -1 1 419.256 4.250 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)cc1 ZINC000479522180 894832044 /nfs/dbraw/zinc/83/20/44/894832044.db2.gz APOHDAYWOYGVNM-UHFFFAOYSA-N -1 1 419.300 4.362 20 0 HIADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(NC(=O)c4ccncc4)cc3)cc12 ZINC000479550099 894849812 /nfs/dbraw/zinc/84/98/12/894849812.db2.gz INKJTJSARDCMER-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM Cc1oc(C2CC2)nc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000505308066 913969402 /nfs/dbraw/zinc/96/94/02/913969402.db2.gz MIJNUMOYWNLJCZ-UHFFFAOYSA-N -1 1 415.446 4.053 20 0 HIADMM COCCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000480155218 895541027 /nfs/dbraw/zinc/54/10/27/895541027.db2.gz UUNRIPGOABIQJX-AWEZNQCLSA-N -1 1 410.923 4.142 20 0 HIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cc(Br)c[nH]c1=O ZINC000480197294 895596119 /nfs/dbraw/zinc/59/61/19/895596119.db2.gz YYTLWGXVGBJQFI-UHFFFAOYSA-N -1 1 417.668 4.059 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2)o1 ZINC000480204847 895604525 /nfs/dbraw/zinc/60/45/25/895604525.db2.gz UKPMCLPYZNZAAM-UHFFFAOYSA-N -1 1 411.405 4.205 20 0 HIADMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000480222100 895627407 /nfs/dbraw/zinc/62/74/07/895627407.db2.gz INYBEOJWPJSAHZ-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480243110 895652533 /nfs/dbraw/zinc/65/25/33/895652533.db2.gz USVJPVJYIVJQIP-UHFFFAOYSA-N -1 1 423.416 4.483 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1OC(C)C ZINC000480243576 895654391 /nfs/dbraw/zinc/65/43/91/895654391.db2.gz FJHJRWOVKJJPKD-UHFFFAOYSA-N -1 1 403.422 4.388 20 0 HIADMM Cc1nc(CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(C)s1 ZINC000480811358 896180184 /nfs/dbraw/zinc/18/01/84/896180184.db2.gz KEFRAZPSPQLUDB-UHFFFAOYSA-N -1 1 415.540 4.050 20 0 HIADMM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000480992460 896324604 /nfs/dbraw/zinc/32/46/04/896324604.db2.gz OZFJVQBYNCRIEV-UXHICEINSA-N -1 1 418.584 4.200 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC[C@H](C2CC2)C1 ZINC000481011791 896342549 /nfs/dbraw/zinc/34/25/49/896342549.db2.gz YOKAJYBNGMVVMS-INIZCTEOSA-N -1 1 404.919 4.013 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)cc1 ZINC000481096161 896419942 /nfs/dbraw/zinc/41/99/42/896419942.db2.gz VWASREOSQVIMRY-UHFFFAOYSA-N -1 1 417.531 4.129 20 0 HIADMM COc1cc(NC(=O)[C@H](C)c2cccc(CC(C)C)c2)ccc1[N-]S(C)(=O)=O ZINC000505411568 914075477 /nfs/dbraw/zinc/07/54/77/914075477.db2.gz YQPXQHBUFOMYMW-OAHLLOKOSA-N -1 1 404.532 4.007 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]3C(F)F)cc2)c1C ZINC000505414332 914078875 /nfs/dbraw/zinc/07/88/75/914078875.db2.gz GURXXJYLEJLJQM-IBGZPJMESA-N -1 1 422.497 4.364 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc(Cl)ccn1 ZINC000481261504 896611670 /nfs/dbraw/zinc/61/16/70/896611670.db2.gz SBBSQLCSYNAKAW-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC[C@@H]3C(F)F)c2)c1 ZINC000505421850 914085994 /nfs/dbraw/zinc/08/59/94/914085994.db2.gz SCGJAYYLVDSXDM-LJQANCHMSA-N -1 1 422.497 4.364 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H]3C(F)F)c2)c1 ZINC000505430859 914095443 /nfs/dbraw/zinc/09/54/43/914095443.db2.gz JQSBLWJYBLBTLG-GOSISDBHSA-N -1 1 408.470 4.056 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)ccc1O ZINC000481445552 896843037 /nfs/dbraw/zinc/84/30/37/896843037.db2.gz PDBJFAKMJXUXRP-UHFFFAOYSA-N -1 1 406.529 4.186 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2SC2CCCC2)ccc1[O-] ZINC000481445552 896843038 /nfs/dbraw/zinc/84/30/38/896843038.db2.gz PDBJFAKMJXUXRP-UHFFFAOYSA-N -1 1 406.529 4.186 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NS(=O)(=O)CCC(C)(C)C)c2)c1 ZINC000481462916 896855477 /nfs/dbraw/zinc/85/54/77/896855477.db2.gz DRJVDSCWJYNPAX-UHFFFAOYSA-N -1 1 424.588 4.282 20 0 HIADMM O=S(=O)([N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1sccc1Br ZINC000481463729 896856502 /nfs/dbraw/zinc/85/65/02/896856502.db2.gz IJACLYQPJGQCNY-UMSPYCQHSA-N -1 1 406.754 4.389 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)ccc1[O-] ZINC000481582550 896963216 /nfs/dbraw/zinc/96/32/16/896963216.db2.gz RYIDDKKZKCQOBB-UHFFFAOYSA-N -1 1 418.421 4.097 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1-c1ncco1 ZINC000481621091 897004486 /nfs/dbraw/zinc/00/44/86/897004486.db2.gz JTBUHVHQVRTBFA-UHFFFAOYSA-N -1 1 405.435 4.170 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1Cl ZINC000481963661 897354062 /nfs/dbraw/zinc/35/40/62/897354062.db2.gz RQTYKAPNIPLUKH-UHFFFAOYSA-N -1 1 407.923 4.090 20 0 HIADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccccc2)cc1 ZINC000481976714 897369126 /nfs/dbraw/zinc/36/91/26/897369126.db2.gz LDCQGCOJBYADDX-UHFFFAOYSA-N -1 1 401.415 4.046 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C1CCCCC1 ZINC000482053728 897479542 /nfs/dbraw/zinc/47/95/42/897479542.db2.gz NTEZPBDLUQGVNL-UHFFFAOYSA-N -1 1 408.907 4.365 20 0 HIADMM CC[C@H](CN(CC)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000482239622 897721718 /nfs/dbraw/zinc/72/17/18/897721718.db2.gz BPMOJSWOONDDBV-GOSISDBHSA-N -1 1 404.514 4.137 20 0 HIADMM CCS[C@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000482259636 897743911 /nfs/dbraw/zinc/74/39/11/897743911.db2.gz NRQLNBQDPDNNMP-OALUTQOASA-N -1 1 418.584 4.282 20 0 HIADMM COC(C)(C)c1noc(-c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000482540122 898128355 /nfs/dbraw/zinc/12/83/55/898128355.db2.gz CJELKCVROVUHQF-UHFFFAOYSA-N -1 1 407.879 4.072 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnc3c(cnn3CC(C)C)c2)c1 ZINC000482575204 898170212 /nfs/dbraw/zinc/17/02/12/898170212.db2.gz JYGVNQKVNOHXTH-UHFFFAOYSA-N -1 1 403.280 4.116 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CCCc2nnc(-c3ccccc3)o2)c1 ZINC000482600076 898201055 /nfs/dbraw/zinc/20/10/55/898201055.db2.gz CFIPTHTZHCQDEA-UHFFFAOYSA-N -1 1 416.275 4.475 20 0 HIADMM COCCc1ccc(OCCCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482628309 898231164 /nfs/dbraw/zinc/23/11/64/898231164.db2.gz FPIJZNDMISPCLW-UHFFFAOYSA-N -1 1 422.319 4.450 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2csc(-c3ccccn3)n2)c1 ZINC000482636473 898240247 /nfs/dbraw/zinc/24/02/47/898240247.db2.gz TXKVWIFISCPIOX-UHFFFAOYSA-N -1 1 404.289 4.163 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000482697437 898297707 /nfs/dbraw/zinc/29/77/07/898297707.db2.gz SNYDFKMYDCGMBK-VIFPVBQESA-N -1 1 407.289 4.148 20 0 HIADMM CC[C@H](C)n1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000482783495 898392600 /nfs/dbraw/zinc/39/26/00/898392600.db2.gz BHTYDQTVUYWXIQ-HNNXBMFYSA-N -1 1 412.515 4.216 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCSCC[C@H]3C)cc2)c1C ZINC000482953113 898581042 /nfs/dbraw/zinc/58/10/42/898581042.db2.gz WPEUYGMHQXMVCQ-MRXNPFEDSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1nc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)sc1Cc1ccc(F)cc1 ZINC000483120287 898807972 /nfs/dbraw/zinc/80/79/72/898807972.db2.gz SJHNHHOSAMMNRV-UHFFFAOYSA-N -1 1 420.469 4.388 20 0 HIADMM O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(Br)c([O-])c1 ZINC000483129020 898811959 /nfs/dbraw/zinc/81/19/59/898811959.db2.gz IHOXTQFFFFZHGI-UHFFFAOYSA-N -1 1 413.271 4.059 20 0 HIADMM Cc1nc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)sc1Cc1cccc(F)c1 ZINC000483143202 898822572 /nfs/dbraw/zinc/82/25/72/898822572.db2.gz ZZFIVWFHLJSASM-UHFFFAOYSA-N -1 1 420.469 4.388 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC[C@@H](C)C2)c1 ZINC000483711776 899368128 /nfs/dbraw/zinc/36/81/28/899368128.db2.gz OHMOORIQQDLOMQ-OAHLLOKOSA-N -1 1 404.507 4.197 20 0 HIADMM COc1ccc(Br)c(CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000505662040 914358708 /nfs/dbraw/zinc/35/87/08/914358708.db2.gz OPHSNRJBYHUBDD-UHFFFAOYSA-N -1 1 411.321 4.127 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C(C)C)c(OC)c2)cc1OCC ZINC000484046232 899678707 /nfs/dbraw/zinc/67/87/07/899678707.db2.gz RJHDFNZAIDBERN-UHFFFAOYSA-N -1 1 423.531 4.425 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccn4)nc3c2)cc1 ZINC000484070975 899704358 /nfs/dbraw/zinc/70/43/58/899704358.db2.gz HRZMAZPRDUVZIN-UHFFFAOYSA-N -1 1 420.494 4.264 20 0 HIADMM COc1ccc(-c2csc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)n2)cc1F ZINC000484285103 899851872 /nfs/dbraw/zinc/85/18/72/899851872.db2.gz HAYCMSMMCGHERO-UHFFFAOYSA-N -1 1 422.441 4.164 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(SCCC(=O)[O-])c1 ZINC000484487054 899980196 /nfs/dbraw/zinc/98/01/96/899980196.db2.gz RYRLJJDRHRIZAS-UHFFFAOYSA-N -1 1 421.540 4.201 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000484539636 900023930 /nfs/dbraw/zinc/02/39/30/900023930.db2.gz CTLNATDQPYQPFM-UHFFFAOYSA-N -1 1 417.531 4.042 20 0 HIADMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2)n[nH]1 ZINC000484600932 900061171 /nfs/dbraw/zinc/06/11/71/900061171.db2.gz OVHZAVPNFPCASB-UHFFFAOYSA-N -1 1 414.384 4.047 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000484624926 900077890 /nfs/dbraw/zinc/07/78/90/900077890.db2.gz XBGMJKIRAPEOQX-MHZLTWQESA-N -1 1 421.584 4.215 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(F)c(F)c(F)c1 ZINC000484639259 900087215 /nfs/dbraw/zinc/08/72/15/900087215.db2.gz ODGGDZHHXVXDRF-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000485076965 900395418 /nfs/dbraw/zinc/39/54/18/900395418.db2.gz ICLILQZXHBUZIN-UHFFFAOYSA-N -1 1 407.557 4.191 20 0 HIADMM Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\c2cc(=O)n3[n-]cnc3n2)c(C)c1 ZINC000486171809 901357662 /nfs/dbraw/zinc/35/76/62/901357662.db2.gz ORALLMWJJLKKOX-KTKRTIGZSA-N -1 1 408.465 4.058 20 0 HIADMM CCOc1ccccc1C1=CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000486449326 901608258 /nfs/dbraw/zinc/60/82/58/901608258.db2.gz RYGXDPUWHDRFFG-UHFFFAOYSA-N -1 1 402.288 4.483 20 0 HIADMM CC(C)N(CCc1nccs1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486809312 901867546 /nfs/dbraw/zinc/86/75/46/901867546.db2.gz FXZUKJQUXLAWOT-UHFFFAOYSA-N -1 1 420.332 4.253 20 0 HIADMM COC(=O)c1ccc([C@H](NC(=O)Nc2ccc([O-])c(Cl)c2)C(F)(F)F)cc1 ZINC000487202951 902099360 /nfs/dbraw/zinc/09/93/60/902099360.db2.gz VHJMFPBHFZTVEX-AWEZNQCLSA-N -1 1 402.756 4.257 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000487376229 902169013 /nfs/dbraw/zinc/16/90/13/902169013.db2.gz VJMGCRMZGQUAKC-UHFFFAOYSA-N -1 1 415.964 4.163 20 0 HIADMM CCCC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(OC)cc1 ZINC000487646441 902271793 /nfs/dbraw/zinc/27/17/93/902271793.db2.gz CXXLFEUEQJGTNP-OAQYLSRUSA-N -1 1 420.513 4.151 20 0 HIADMM CC(C)c1nnc([N-]C(=O)c2coc(-c3ccc(Br)cc3F)n2)s1 ZINC000487740122 902332238 /nfs/dbraw/zinc/33/22/38/902332238.db2.gz DGFMLHDLYWGWAJ-UHFFFAOYSA-N -1 1 411.256 4.470 20 0 HIADMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)ccc1F ZINC000487906982 902442442 /nfs/dbraw/zinc/44/24/42/902442442.db2.gz BEEUGWSDXYAEJA-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1nc(-c2ccncc2)cs1 ZINC000488129263 902626575 /nfs/dbraw/zinc/62/65/75/902626575.db2.gz YJGQIHHTPVYWIF-JTQLQIEISA-N -1 1 404.289 4.164 20 0 HIADMM CCc1cccnc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000505995783 914665292 /nfs/dbraw/zinc/66/52/92/914665292.db2.gz JILFOLPTSIRDQY-UHFFFAOYSA-N -1 1 409.511 4.314 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3c(Cl)ccc4ccccc43)c(F)cc2N1 ZINC000488992545 903108064 /nfs/dbraw/zinc/10/80/64/903108064.db2.gz KUEIUODXLNAVSD-UHFFFAOYSA-N -1 1 404.850 4.318 20 0 HIADMM CSC[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000489355652 903343724 /nfs/dbraw/zinc/34/37/24/903343724.db2.gz BEYXEOGESJWATK-IBGZPJMESA-N -1 1 418.584 4.072 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1Cl ZINC000489754228 903580798 /nfs/dbraw/zinc/58/07/98/903580798.db2.gz OOVWLEXUZDHZON-UHFFFAOYSA-N -1 1 423.922 4.097 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000490196010 903820643 /nfs/dbraw/zinc/82/06/43/903820643.db2.gz XEZWLLXMMXQKOK-CTNGQTDRSA-N -1 1 416.525 4.328 20 0 HIADMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000490316881 903898019 /nfs/dbraw/zinc/89/80/19/903898019.db2.gz ULNIGNCFYKWGEI-ZHACJKMWSA-N -1 1 407.455 4.138 20 0 HIADMM COc1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)sc1Br ZINC000490332065 903921273 /nfs/dbraw/zinc/92/12/73/903921273.db2.gz XIEHDHVCGSRUKK-SNAWJCMRSA-N -1 1 412.290 4.386 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000490531746 904080160 /nfs/dbraw/zinc/08/01/60/904080160.db2.gz QMVWCMBHUOEUOJ-UHFFFAOYSA-N -1 1 422.533 4.100 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3O)ccc2C)c1 ZINC000490746920 904206076 /nfs/dbraw/zinc/20/60/76/904206076.db2.gz QVJCOEZQRHJKGA-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000506125077 914813502 /nfs/dbraw/zinc/81/35/02/914813502.db2.gz BOKGWLIAWLPOAW-UHFFFAOYSA-N -1 1 401.513 4.132 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c(=O)[n-]1 ZINC000491242930 904497650 /nfs/dbraw/zinc/49/76/50/904497650.db2.gz KNPDBIHGGWTQAJ-AWEZNQCLSA-N -1 1 408.527 4.085 20 0 HIADMM CC[C@@H]1C[C@]1(NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cccc(C)c1 ZINC000506165955 914830726 /nfs/dbraw/zinc/83/07/26/914830726.db2.gz GQNSQFJDNVVLTB-KBMIEXCESA-N -1 1 416.525 4.235 20 0 HIADMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)c1ccc(C)o1 ZINC000491770697 904696592 /nfs/dbraw/zinc/69/65/92/904696592.db2.gz YXVGNDOPXDXEFU-INIZCTEOSA-N -1 1 413.923 4.086 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3occc32)cc1 ZINC000493308471 905081026 /nfs/dbraw/zinc/08/10/26/905081026.db2.gz YXTLXLDNLKBQKS-FQEVSTJZSA-N -1 1 410.495 4.196 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC/C=C/c1ccccc1 ZINC000493913178 905265116 /nfs/dbraw/zinc/26/51/16/905265116.db2.gz UUAPQEZQZGJLCD-VMPITWQZSA-N -1 1 424.497 4.378 20 0 HIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000494266690 905589948 /nfs/dbraw/zinc/58/99/48/905589948.db2.gz AEANGSNRBXYLGO-UHFFFAOYSA-N -1 1 402.281 4.250 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CCCN1c1ccccc1 ZINC000494327244 905638465 /nfs/dbraw/zinc/63/84/65/905638465.db2.gz INMHKQJQAVRSSE-JOCHJYFZSA-N -1 1 421.522 4.095 20 0 HIADMM CCCCc1cc(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)n[nH]1 ZINC000494634885 905875765 /nfs/dbraw/zinc/87/57/65/905875765.db2.gz UCPRIQXBQOIUGZ-UHFFFAOYSA-N -1 1 413.503 4.197 20 0 HIADMM CC(C)(C)c1ccc(-c2nnc(SCc3nn[n-]n3)n2Cc2ccccc2)cc1 ZINC000497227622 906822542 /nfs/dbraw/zinc/82/25/42/906822542.db2.gz JEVBPBWIPVJLIE-UHFFFAOYSA-N -1 1 405.531 4.096 20 0 HIADMM COc1cccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000497311477 906829146 /nfs/dbraw/zinc/82/91/46/906829146.db2.gz GQZUYWJQVIAMDL-QGZVFWFLSA-N -1 1 424.522 4.295 20 0 HIADMM O=C(Nc1ccc2ccccc2n1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000497499936 906987088 /nfs/dbraw/zinc/98/70/88/906987088.db2.gz LKYBNGJYHIUIQW-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)cc21 ZINC000512770252 921304532 /nfs/dbraw/zinc/30/45/32/921304532.db2.gz BKGJDONMSFICOJ-UHFFFAOYSA-N -1 1 420.494 4.161 20 0 HIADMM O=C([O-])c1ccc2c(c1)[nH]nc2[C@@H]1Nc2ccc(Cl)cc2C(=O)N1c1ccncc1 ZINC000497850760 907330223 /nfs/dbraw/zinc/33/02/23/907330223.db2.gz LQLVOTIHZBRDJJ-LJQANCHMSA-N -1 1 419.828 4.081 20 0 HIADMM CC(C)n1ncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C1CC1 ZINC000497910767 907382854 /nfs/dbraw/zinc/38/28/54/907382854.db2.gz QGEFBAYTYXNPQF-UHFFFAOYSA-N -1 1 424.526 4.395 20 0 HIADMM Cc1ccc(Br)c(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC000498007009 907495671 /nfs/dbraw/zinc/49/56/71/907495671.db2.gz GWYVMVCVVMVAFP-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)ccc2C)c1 ZINC000498078192 907586386 /nfs/dbraw/zinc/58/63/86/907586386.db2.gz PSRFCAIBSZQBCP-DLBZAZTESA-N -1 1 414.527 4.048 20 0 HIADMM Cc1ccc(NC(=O)CO[C@H]2CCCC[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000498200758 907732439 /nfs/dbraw/zinc/73/24/39/907732439.db2.gz IGYQYQXAJNVHTB-UZLBHIALSA-N -1 1 416.543 4.330 20 0 HIADMM C[C@H](c1cccnc1)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498203254 907736158 /nfs/dbraw/zinc/73/61/58/907736158.db2.gz UJXHBPCXAQNUJR-MRXNPFEDSA-N -1 1 410.499 4.107 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000498213528 907744595 /nfs/dbraw/zinc/74/45/95/907744595.db2.gz FLZVJVOKLLIEKB-UHFFFAOYSA-N -1 1 424.482 4.090 20 0 HIADMM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000498395970 907878452 /nfs/dbraw/zinc/87/84/52/907878452.db2.gz JLTQJJGKJXKSMX-AWEZNQCLSA-N -1 1 413.586 4.090 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2C)cc1 ZINC000498413655 907889672 /nfs/dbraw/zinc/88/96/72/907889672.db2.gz LARBCRYHMDZMCG-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2C)c2ccccc12 ZINC000498423208 907895655 /nfs/dbraw/zinc/89/56/55/907895655.db2.gz AVLLGJFWLOJFMC-UHFFFAOYSA-N -1 1 424.522 4.194 20 0 HIADMM Cc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000498486307 907958349 /nfs/dbraw/zinc/95/83/49/907958349.db2.gz SKLICDJQMROCAP-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000498843764 908248687 /nfs/dbraw/zinc/24/86/87/908248687.db2.gz CPIQSKDHZIXIPH-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000498877735 908275783 /nfs/dbraw/zinc/27/57/83/908275783.db2.gz LOXYWGXXCAKMRS-LBPRGKRZSA-N -1 1 400.276 4.362 20 0 HIADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(C)c(C(F)(F)F)c1 ZINC000499151853 908511094 /nfs/dbraw/zinc/51/10/94/908511094.db2.gz PLPMLXZZWQUROK-UHFFFAOYSA-N -1 1 424.400 4.149 20 0 HIADMM CCN(CCc1cccs1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000499630035 908861031 /nfs/dbraw/zinc/86/10/31/908861031.db2.gz GPXITYONDOTUKV-UHFFFAOYSA-N -1 1 414.552 4.254 20 0 HIADMM CCCN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000499657620 908867363 /nfs/dbraw/zinc/86/73/63/908867363.db2.gz JTFHGVWWWLHDFV-UHFFFAOYSA-N -1 1 414.449 4.378 20 0 HIADMM CCCN(CC(C)C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000499672862 908872418 /nfs/dbraw/zinc/87/24/18/908872418.db2.gz XQDKXZHHXOGFPW-UHFFFAOYSA-N -1 1 418.559 4.394 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000500997875 910223025 /nfs/dbraw/zinc/22/30/25/910223025.db2.gz ZQFBGZAUNJINBK-CQSZACIVSA-N -1 1 404.495 4.187 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1-n1cccn1)c1c(Cl)cccc1C(F)(F)F ZINC000513165690 921596629 /nfs/dbraw/zinc/59/66/29/921596629.db2.gz NDPNDUALQRKKJL-UHFFFAOYSA-N -1 1 415.824 4.023 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000501614164 910715892 /nfs/dbraw/zinc/71/58/92/910715892.db2.gz DXRHECVKIDMMGT-UHFFFAOYSA-N -1 1 422.533 4.100 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](C)[C@@H](C)C3)c2)cc1F ZINC000501620169 910721017 /nfs/dbraw/zinc/72/10/17/910721017.db2.gz ZCEBSHQGOKJXPP-ZBFHGGJFSA-N -1 1 404.507 4.053 20 0 HIADMM CC[C@@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCO1 ZINC000502957071 911939282 /nfs/dbraw/zinc/93/92/82/911939282.db2.gz FAARLFHMAMTGNW-KBXCAEBGSA-N -1 1 422.934 4.285 20 0 HIADMM CCSc1nnc([N-]C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)s1 ZINC000503162957 912132091 /nfs/dbraw/zinc/13/20/91/912132091.db2.gz FKXQNCFCFMTUPS-UHFFFAOYSA-N -1 1 414.541 4.212 20 0 HIADMM Cc1nc(S(=O)(=O)[N-][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)sc1C ZINC000503217794 912201149 /nfs/dbraw/zinc/20/11/49/912201149.db2.gz BAUIUVWMJQOUHY-KRWDZBQOSA-N -1 1 407.948 4.071 20 0 HIADMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506725657 915406262 /nfs/dbraw/zinc/40/62/62/915406262.db2.gz IIZQEWADWAYEGE-UHFFFAOYSA-N -1 1 406.507 4.355 20 0 HIADMM Cc1cc2cccnc2c(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000507021868 915827525 /nfs/dbraw/zinc/82/75/25/915827525.db2.gz PALSSOSDUIEPEJ-UHFFFAOYSA-N -1 1 410.373 4.061 20 0 HIADMM COc1cccc([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000507035015 915833300 /nfs/dbraw/zinc/83/33/00/915833300.db2.gz KQLCDUNIGXPOOV-MRXNPFEDSA-N -1 1 410.495 4.238 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCC3)ccc2Cl)c1F ZINC000513433121 921802334 /nfs/dbraw/zinc/80/23/34/921802334.db2.gz WDJPZJTZZSNBDD-UHFFFAOYSA-N -1 1 410.898 4.214 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1 ZINC000507580788 916333599 /nfs/dbraw/zinc/33/35/99/916333599.db2.gz QBVVRXJJRDZHPI-UHFFFAOYSA-N -1 1 411.455 4.383 20 0 HIADMM COc1ccc2c(c1)oc(C(=O)N1CCC[C@@H](c3n[n-]c(=O)o3)C1)c2-c1ccccc1 ZINC000507876578 916714632 /nfs/dbraw/zinc/71/46/32/916714632.db2.gz XGWMTGUIOMYACM-OAHLLOKOSA-N -1 1 419.437 4.217 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccccc2COC(C)(C)CC)c1 ZINC000507921699 916801249 /nfs/dbraw/zinc/80/12/49/916801249.db2.gz NSXRTSNSCXFFSU-UHFFFAOYSA-N -1 1 419.543 4.298 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c1 ZINC000507952034 916813171 /nfs/dbraw/zinc/81/31/71/916813171.db2.gz WHWURWDVHGBJNB-UHFFFAOYSA-N -1 1 410.495 4.337 20 0 HIADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)ccc1C ZINC000507968788 916821458 /nfs/dbraw/zinc/82/14/58/916821458.db2.gz XRNBOIMFVVBFCS-UHFFFAOYSA-N -1 1 401.406 4.077 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccncc3)c2)cc1 ZINC000508035210 916866099 /nfs/dbraw/zinc/86/60/99/916866099.db2.gz NKVMOBJEIOYLEG-INIZCTEOSA-N -1 1 409.511 4.070 20 0 HIADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(F)c1 ZINC000508081441 916899070 /nfs/dbraw/zinc/89/90/70/916899070.db2.gz CLRVQOACOPTYLD-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM O=S(=O)([N-]c1cncc(Cl)c1Br)c1c(F)cccc1Cl ZINC000508089592 916908200 /nfs/dbraw/zinc/90/82/00/916908200.db2.gz QARMBLDJLQEPDT-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM O=S(=O)([N-]C1(C(F)F)CCCCC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000508104781 916920088 /nfs/dbraw/zinc/92/00/88/916920088.db2.gz UZOZHHCAGCGTRL-CYBMUJFWSA-N -1 1 423.909 4.002 20 0 HIADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000508119938 916935811 /nfs/dbraw/zinc/93/58/11/916935811.db2.gz SGPLRWDCIGYYAU-LBPRGKRZSA-N -1 1 411.898 4.000 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccsc2)c2ccccc2)o1 ZINC000508507807 917292970 /nfs/dbraw/zinc/29/29/70/917292970.db2.gz QCZPMHGDFSIGHR-UHFFFAOYSA-N -1 1 418.540 4.265 20 0 HIADMM O=C(Cc1ccc(O)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000508804085 917559152 /nfs/dbraw/zinc/55/91/52/917559152.db2.gz WXWLSPMUMQGUIR-UHFFFAOYSA-N -1 1 416.886 4.028 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)CCCCC2)no1 ZINC000508822899 917575981 /nfs/dbraw/zinc/57/59/81/917575981.db2.gz SQVXAFOQRHXQPV-UHFFFAOYSA-N -1 1 423.844 4.188 20 0 HIADMM CC(C)c1csc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000509191116 917897494 /nfs/dbraw/zinc/89/74/94/917897494.db2.gz ZRSFBEFVQCAMQN-UHFFFAOYSA-N -1 1 409.758 4.161 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1N1CCOCC1)c1ccc2ccccc2c1 ZINC000509373179 918039195 /nfs/dbraw/zinc/03/91/95/918039195.db2.gz CUXFVRQSUBZNFA-UHFFFAOYSA-N -1 1 420.893 4.270 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)cc1OC ZINC000509379012 918045783 /nfs/dbraw/zinc/04/57/83/918045783.db2.gz NLFYYDGATRZYHP-UHFFFAOYSA-N -1 1 416.474 4.323 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1cccc(Br)c1F ZINC000509393363 918059980 /nfs/dbraw/zinc/05/99/80/918059980.db2.gz XWQXLYPYALJGSM-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)cc1 ZINC000509395460 918060896 /nfs/dbraw/zinc/06/08/96/918060896.db2.gz BONAOIIGWBZGMV-UHFFFAOYSA-N -1 1 409.511 4.130 20 0 HIADMM CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000509438175 918094309 /nfs/dbraw/zinc/09/43/09/918094309.db2.gz LYDKSJDHALLQEA-LAUBAEHRSA-N -1 1 418.534 4.254 20 0 HIADMM Cc1ccc([C@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000509441592 918096532 /nfs/dbraw/zinc/09/65/32/918096532.db2.gz KTHDTSVRGDGBKX-OAQYLSRUSA-N -1 1 402.498 4.157 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)c1nc(-c2cccc(F)c2)no1 ZINC000509887941 918489496 /nfs/dbraw/zinc/48/94/96/918489496.db2.gz TZFWXCPENVFDSW-LLVKDONJSA-N -1 1 403.460 4.130 20 0 HIADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000509904528 918507293 /nfs/dbraw/zinc/50/72/93/918507293.db2.gz MDRWEEASMCUIHR-AVRDEDQJSA-N -1 1 424.497 4.160 20 0 HIADMM COc1cccc(N(CC(C)C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000509921620 918522069 /nfs/dbraw/zinc/52/20/69/918522069.db2.gz AEVXOLHRJSBDFV-UHFFFAOYSA-N -1 1 420.513 4.183 20 0 HIADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000509953034 918548151 /nfs/dbraw/zinc/54/81/51/918548151.db2.gz PYQLUPYKOZFWKB-UGKGYDQZSA-N -1 1 406.507 4.021 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCc4cc(F)ccc43)c2)cc1 ZINC000510285069 918807005 /nfs/dbraw/zinc/80/70/05/918807005.db2.gz AAMDBTVGAVLYJX-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1OCC(F)(F)F ZINC000511114583 919726531 /nfs/dbraw/zinc/72/65/31/919726531.db2.gz IYQOVKUSJUPIKQ-UHFFFAOYSA-N -1 1 409.813 4.399 20 0 HIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000511139022 919757540 /nfs/dbraw/zinc/75/75/40/919757540.db2.gz BDRDZXOHRXCPLP-UHFFFAOYSA-N -1 1 410.211 4.457 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)c1C ZINC000511143457 919764182 /nfs/dbraw/zinc/76/41/82/919764182.db2.gz NWRYCLBJWJXKSB-UHFFFAOYSA-N -1 1 406.935 4.267 20 0 HIADMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000511221594 919830416 /nfs/dbraw/zinc/83/04/16/919830416.db2.gz LZOIZDRURXVETF-UHFFFAOYSA-N -1 1 424.345 4.385 20 0 HIADMM CCN(C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)[C@H](C)c1cc2ccccc2o1 ZINC000511681227 920346616 /nfs/dbraw/zinc/34/66/16/920346616.db2.gz OKJLTFTYMGTDBG-MRXNPFEDSA-N -1 1 406.486 4.340 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)ccc1Br ZINC000511724209 920391134 /nfs/dbraw/zinc/39/11/34/920391134.db2.gz XDQTXTHIYKBLLM-UHFFFAOYSA-N -1 1 410.318 4.077 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCC[C@H]2C)cc1 ZINC000511814126 920511612 /nfs/dbraw/zinc/51/16/12/920511612.db2.gz OIQVEBZELXGPJI-MRXNPFEDSA-N -1 1 404.507 4.340 20 0 HIADMM Cc1ccc(NC(=O)[C@]2(C)CCCOC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000511829118 920531540 /nfs/dbraw/zinc/53/15/40/920531540.db2.gz UQHITXUDMJTQFG-HXUWFJFHSA-N -1 1 422.934 4.204 20 0 HIADMM CC[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(Cl)s1 ZINC000511841294 920554830 /nfs/dbraw/zinc/55/48/30/920554830.db2.gz BWHWQNURMHDFSY-HNNXBMFYSA-N -1 1 416.934 4.468 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000511879469 920612491 /nfs/dbraw/zinc/61/24/91/920612491.db2.gz LNMLRNDLNJWGQX-UHFFFAOYSA-N -1 1 418.522 4.274 20 0 HIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511935480 920684346 /nfs/dbraw/zinc/68/43/46/920684346.db2.gz VGMFXBXEJYUHFA-UHFFFAOYSA-N -1 1 400.265 4.159 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccccc1Oc1ccccc1 ZINC000511952488 920709387 /nfs/dbraw/zinc/70/93/87/920709387.db2.gz LKBFDPMOPKEMTN-UHFFFAOYSA-N -1 1 416.481 4.093 20 0 HIADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000513679819 922000290 /nfs/dbraw/zinc/00/02/90/922000290.db2.gz HTLMIZUUEUNVBX-GOSISDBHSA-N -1 1 400.544 4.386 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cc(F)ccc32)cc1 ZINC000513722153 922042950 /nfs/dbraw/zinc/04/29/50/922042950.db2.gz GNRGIEFCBYIPEC-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1cccc(F)c1 ZINC000513845294 922170180 /nfs/dbraw/zinc/17/01/80/922170180.db2.gz PFGLWPKKEGRHDY-UHFFFAOYSA-N -1 1 417.437 4.087 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(-c2ccccc2)on1 ZINC000514332279 922598684 /nfs/dbraw/zinc/59/86/84/922598684.db2.gz DBOFZZSJVBHIPZ-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM O=C([N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1noc2c1CCCC2 ZINC000514683716 922753510 /nfs/dbraw/zinc/75/35/10/922753510.db2.gz GKPKIWXQRLUNIA-UHFFFAOYSA-N -1 1 410.377 4.223 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000514900754 922839765 /nfs/dbraw/zinc/83/97/65/922839765.db2.gz VZITWHKNPPGSQF-UHFFFAOYSA-N -1 1 418.404 4.049 20 0 HIADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000515333926 923056507 /nfs/dbraw/zinc/05/65/07/923056507.db2.gz HQWDAYYVCQQNLS-SNVBAGLBSA-N -1 1 409.458 4.468 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)cc1Cl ZINC000515623905 923223351 /nfs/dbraw/zinc/22/33/51/923223351.db2.gz CIHAWADQWANWCL-UHFFFAOYSA-N -1 1 416.934 4.434 20 0 HIADMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)cc1 ZINC000515629877 923230027 /nfs/dbraw/zinc/23/00/27/923230027.db2.gz MBCFMIWRTIEGTE-UHFFFAOYSA-N -1 1 424.950 4.268 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000515635249 923236817 /nfs/dbraw/zinc/23/68/17/923236817.db2.gz ARJGJGNQKIDJCS-UHFFFAOYSA-N -1 1 423.494 4.109 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000516132052 923564607 /nfs/dbraw/zinc/56/46/07/923564607.db2.gz LSCPUKMJFDRETD-AWEZNQCLSA-N -1 1 417.575 4.026 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000516594352 923806459 /nfs/dbraw/zinc/80/64/59/923806459.db2.gz STHYZOJCGAWDAR-HNNXBMFYSA-N -1 1 420.538 4.403 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(F)cc1Br ZINC000516597467 923807852 /nfs/dbraw/zinc/80/78/52/923807852.db2.gz CKEPTHWFPFYVRQ-UHFFFAOYSA-N -1 1 410.211 4.299 20 0 HIADMM Cc1ccc(NC(=O)c2cc3ccccn3c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000516600825 923808984 /nfs/dbraw/zinc/80/89/84/923808984.db2.gz HICXEYKQCYGBER-UHFFFAOYSA-N -1 1 405.479 4.301 20 0 HIADMM Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000517335359 924109776 /nfs/dbraw/zinc/10/97/76/924109776.db2.gz RJISYBMDWKOCEW-NSHDSACASA-N -1 1 424.913 4.499 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000517496272 924230674 /nfs/dbraw/zinc/23/06/74/924230674.db2.gz HMPRKUDAXWSGAH-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)o1 ZINC000517606887 926714862 /nfs/dbraw/zinc/71/48/62/926714862.db2.gz CHHNVDHZQUJSEG-UHFFFAOYSA-N -1 1 415.393 4.092 20 0 HIADMM CCOc1cc(C(=O)NCCc2cnc(SC3CCCC3)nc2)cc(Cl)c1[O-] ZINC000517614044 926724063 /nfs/dbraw/zinc/72/40/63/926724063.db2.gz YHWDZMVFWCEEKY-UHFFFAOYSA-N -1 1 421.950 4.242 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](CC)C(C)(C)C)cc2)cc1 ZINC000517963764 926905254 /nfs/dbraw/zinc/90/52/54/926905254.db2.gz VVKIQLZYKMHIPV-HXUWFJFHSA-N -1 1 418.559 4.441 20 0 HIADMM COc1ccc(NC(=O)CC2CCC(c3ccccc3)CC2)cc1[N-]S(C)(=O)=O ZINC000518117505 927029162 /nfs/dbraw/zinc/02/91/62/927029162.db2.gz PADAQZQGTYQYEJ-UHFFFAOYSA-N -1 1 416.543 4.369 20 0 HIADMM CSC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1 ZINC000518148933 927048028 /nfs/dbraw/zinc/04/80/28/927048028.db2.gz WNNGNYYINUVJPE-KRWDZBQOSA-N -1 1 418.584 4.011 20 0 HIADMM O=C([O-])CC1(CC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)CCCC1 ZINC000518302646 927161976 /nfs/dbraw/zinc/16/19/76/927161976.db2.gz JSEVNEQXDFUITF-IBGZPJMESA-N -1 1 406.954 4.236 20 0 HIADMM CCC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)CC1 ZINC000518413561 927253121 /nfs/dbraw/zinc/25/31/21/927253121.db2.gz UDKVSMLKAZJRLP-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000518432580 927265953 /nfs/dbraw/zinc/26/59/53/927265953.db2.gz VCRKTDJAYDPYDM-NYHFZMIOSA-N -1 1 424.497 4.290 20 0 HIADMM CN(C)c1nc2sc(C(=O)[N-]c3nnc(Cc4ccccc4F)s3)cc2s1 ZINC000518662996 927414637 /nfs/dbraw/zinc/41/46/37/927414637.db2.gz XJSKVUDGQBVUFR-UHFFFAOYSA-N -1 1 419.532 4.258 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000518747739 927471937 /nfs/dbraw/zinc/47/19/37/927471937.db2.gz XORSXRNLYQVHRR-FQEVSTJZSA-N -1 1 420.435 4.127 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3C(C)C)ccc2C)cc1 ZINC000518855379 927560909 /nfs/dbraw/zinc/56/09/09/927560909.db2.gz BSZLTFBLGIXJSY-HXUWFJFHSA-N -1 1 400.544 4.365 20 0 HIADMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000519126315 927793092 /nfs/dbraw/zinc/79/30/92/927793092.db2.gz ZJDJJTVCBBKZTJ-LSBZLQRGSA-N -1 1 404.304 4.236 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1NC(=O)c1ccncc1 ZINC000519201808 927825224 /nfs/dbraw/zinc/82/52/24/927825224.db2.gz HQEZRAJHBBIIKS-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2ccncc2)cc1)c1cccc(Br)c1 ZINC000519217608 927832132 /nfs/dbraw/zinc/83/21/32/927832132.db2.gz QOFFYLXJQDGLMO-UHFFFAOYSA-N -1 1 419.300 4.224 20 0 HIADMM O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(Br)cc1[O-] ZINC000519482034 927979824 /nfs/dbraw/zinc/97/98/24/927979824.db2.gz DPEJPYSUCIZWCG-UHFFFAOYSA-N -1 1 416.271 4.395 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)CC3)ccc2C)cc1 ZINC000519873577 928106833 /nfs/dbraw/zinc/10/68/33/928106833.db2.gz JHYMQJUWIDJZRM-MRXNPFEDSA-N -1 1 400.544 4.366 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000520038231 928262766 /nfs/dbraw/zinc/26/27/66/928262766.db2.gz RCNSTXHNFLLXGF-UHFFFAOYSA-N -1 1 407.495 4.200 20 0 HIADMM CC(C)[C@@H](C)N(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CC1 ZINC000520165795 928357627 /nfs/dbraw/zinc/35/76/27/928357627.db2.gz MKPOZJBHZNYAED-OAHLLOKOSA-N -1 1 404.507 4.276 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(-c4cccnc4)no3)cc2)c1 ZINC000520277013 928441186 /nfs/dbraw/zinc/44/11/86/928441186.db2.gz LTQXDCRNXVFJRR-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccccc1SCCC(N)=O ZINC000520501602 928603050 /nfs/dbraw/zinc/60/30/50/928603050.db2.gz FLUVXSMCRBIMQX-UHFFFAOYSA-N -1 1 420.600 4.369 20 0 HIADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000520614719 928674577 /nfs/dbraw/zinc/67/45/77/928674577.db2.gz HUAYIDSTLLGGNZ-UHFFFAOYSA-N -1 1 400.862 4.273 20 0 HIADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)cc1OCC(C)C ZINC000520696420 928742298 /nfs/dbraw/zinc/74/22/98/928742298.db2.gz DWSKGYUQVYFNQW-LJQANCHMSA-N -1 1 422.319 4.408 20 0 HIADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000520732308 928781312 /nfs/dbraw/zinc/78/13/12/928781312.db2.gz CGHHOONVPIUAJU-UHFFFAOYSA-N -1 1 419.510 4.311 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(Br)ccc2Cl)cc1OC ZINC000520763868 928806780 /nfs/dbraw/zinc/80/67/80/928806780.db2.gz GJOLOYWBIRKKMP-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)c3ccncc3)ccc2C)cc1 ZINC000520770531 928810041 /nfs/dbraw/zinc/81/00/41/928810041.db2.gz UMGGESMXIZJMQA-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000520843518 928840893 /nfs/dbraw/zinc/84/08/93/928840893.db2.gz YVNVAMSWJBIDRW-UHFFFAOYSA-N -1 1 420.332 4.267 20 0 HIADMM O=S(=O)([N-]c1ccc(Cc2nc(-c3ccsc3)no2)cc1)c1ccc(F)cc1 ZINC000521024867 928941428 /nfs/dbraw/zinc/94/14/28/928941428.db2.gz YOCKCWMWNFTTSZ-UHFFFAOYSA-N -1 1 415.471 4.329 20 0 HIADMM O=S(=O)([N-]c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(C(F)(F)F)cc1 ZINC000521336842 929150591 /nfs/dbraw/zinc/15/05/91/929150591.db2.gz DIZQGZPROPSYNJ-INIZCTEOSA-N -1 1 401.406 4.064 20 0 HIADMM CCCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H](CC)c1ccccc1 ZINC000521760342 929420173 /nfs/dbraw/zinc/42/01/73/929420173.db2.gz JEXMKKHNTKDJFX-OAQYLSRUSA-N -1 1 404.514 4.485 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1c(Cl)cc(Cl)cc1Cl ZINC000521776160 929436436 /nfs/dbraw/zinc/43/64/36/929436436.db2.gz VRMADHVHQPHXRQ-JTQLQIEISA-N -1 1 406.718 4.491 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(NC(=O)CC(C)C)cc3)cc2)co1 ZINC000521917446 929561266 /nfs/dbraw/zinc/56/12/66/929561266.db2.gz GCPXXHXEOMRMJG-UHFFFAOYSA-N -1 1 413.499 4.435 20 0 HIADMM CCC1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)CC1 ZINC000521985534 929611422 /nfs/dbraw/zinc/61/14/22/929611422.db2.gz CBRQNDKDIWUDPN-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc4[nH]cnc43)cc2)c1C ZINC000524567366 929692609 /nfs/dbraw/zinc/69/26/09/929692609.db2.gz UEFOQEJSAFWWSC-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM NC(=O)c1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2)c1 ZINC000524623464 929730820 /nfs/dbraw/zinc/73/08/20/929730820.db2.gz WYIDTXFCZOPJGO-UHFFFAOYSA-N -1 1 420.849 4.171 20 0 HIADMM COc1cc(NC(=O)N[C@H]2CCC(C)(C)c3ccccc32)ccc1[N-]S(C)(=O)=O ZINC000524623554 929731069 /nfs/dbraw/zinc/73/10/69/929731069.db2.gz GIWBUORHXMRANL-KRWDZBQOSA-N -1 1 417.531 4.001 20 0 HIADMM Cc1cccc2c(CC(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)c[nH]c21 ZINC000524631639 929742347 /nfs/dbraw/zinc/74/23/47/929742347.db2.gz PRAFXSHOQRHDCU-UHFFFAOYSA-N -1 1 419.506 4.458 20 0 HIADMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000524640914 929752169 /nfs/dbraw/zinc/75/21/69/929752169.db2.gz YWUSXMZISGKKGF-MRXNPFEDSA-N -1 1 409.511 4.050 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](C)[C@H]3C)c2)c1 ZINC000524655148 929768912 /nfs/dbraw/zinc/76/89/12/929768912.db2.gz XXRYQDFRTJXYNY-SJLPKXTDSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000525086034 930026185 /nfs/dbraw/zinc/02/61/85/930026185.db2.gz VIAUJPHGMDSRDB-IRLDBZIGSA-N -1 1 412.555 4.494 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)CCC[C@H]3C)c2)cc1 ZINC000525103616 930037825 /nfs/dbraw/zinc/03/78/25/930037825.db2.gz NXMWLFYAHDHIRX-QZTJIDSGSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000525392299 930214638 /nfs/dbraw/zinc/21/46/38/930214638.db2.gz DVDKOXUEMOIKBP-UHFFFAOYSA-N -1 1 417.513 4.114 20 0 HIADMM CCSc1ccc([C@H](C)NC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000525413338 930226570 /nfs/dbraw/zinc/22/65/70/930226570.db2.gz GUSKBSHQZHCOAQ-ZDUSSCGKSA-N -1 1 423.560 4.061 20 0 HIADMM O=c1cc(C(F)(F)F)nc(S[C@H]2CCCN(c3ccccc3Cl)C2=O)[n-]1 ZINC000525518714 930297581 /nfs/dbraw/zinc/29/75/81/930297581.db2.gz OGEOSVNMKBSMMW-NSHDSACASA-N -1 1 403.813 4.142 20 0 HIADMM O=C(CCOc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525584106 930346004 /nfs/dbraw/zinc/34/60/04/930346004.db2.gz MFVAIHFVEMSXPA-UHFFFAOYSA-N -1 1 414.458 4.034 20 0 HIADMM CC(C)(C)c1ncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000525585790 930347622 /nfs/dbraw/zinc/34/76/22/930347622.db2.gz NZUDHNPEZGAVFN-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000525723031 930415380 /nfs/dbraw/zinc/41/53/80/930415380.db2.gz FNEQBNAJISLXQS-LJQANCHMSA-N -1 1 422.497 4.416 20 0 HIADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000525771399 930438903 /nfs/dbraw/zinc/43/89/03/930438903.db2.gz LERCUHLLKUHJHP-NHCUHLMSSA-N -1 1 416.518 4.325 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C[C@H](C)S1 ZINC000525773175 930439786 /nfs/dbraw/zinc/43/97/86/930439786.db2.gz PVNQZNSNAPCJRH-OKILXGFUSA-N -1 1 424.975 4.107 20 0 HIADMM COc1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1[O-] ZINC000525957028 930494308 /nfs/dbraw/zinc/49/43/08/930494308.db2.gz HFLOSESTZREQAR-UHFFFAOYSA-N -1 1 417.676 4.072 20 0 HIADMM COc1cc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc(Cl)c1[O-] ZINC000527196252 930610333 /nfs/dbraw/zinc/61/03/33/930610333.db2.gz VKCQMWJJWOFSGY-UHFFFAOYSA-N -1 1 417.874 4.388 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nc(C2CCCCC2)no1 ZINC000530730126 930810939 /nfs/dbraw/zinc/81/09/39/930810939.db2.gz KYPJPMCQBGNPGK-NSHDSACASA-N -1 1 403.426 4.176 20 0 HIADMM Cc1ccc2cccc(S(=O)(=O)Nc3cc(Cl)c(Cl)c(C(=O)[O-])c3)c2n1 ZINC000530774434 930820572 /nfs/dbraw/zinc/82/05/72/930820572.db2.gz VSDORBNUWZMTTI-UHFFFAOYSA-N -1 1 411.266 4.349 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000531039626 930893606 /nfs/dbraw/zinc/89/36/06/930893606.db2.gz RTVVCPVAOJMRLF-UHFFFAOYSA-N -1 1 404.923 4.024 20 0 HIADMM Cc1ccc2c(c1)N(C(=O)c1ccc([N-]S(=O)(=O)c3ccccc3)cc1)C[C@H](C)O2 ZINC000531114323 930926141 /nfs/dbraw/zinc/92/61/41/930926141.db2.gz BNAGCJXIIFEDQH-KRWDZBQOSA-N -1 1 422.506 4.224 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000531429435 931053820 /nfs/dbraw/zinc/05/38/20/931053820.db2.gz MXRLLQWTQFEBKS-BDQBCWGISA-N -1 1 420.918 4.221 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1OC(F)F ZINC000531433410 931055437 /nfs/dbraw/zinc/05/54/37/931055437.db2.gz XFVDDYKXMJGRIU-UHFFFAOYSA-N -1 1 405.382 4.225 20 0 HIADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccccc3Cc3ccccc3)ccc2NC1=O ZINC000531775761 931191895 /nfs/dbraw/zinc/19/18/95/931191895.db2.gz PSFMTVKCYLYBKP-UHFFFAOYSA-N -1 1 406.507 4.308 20 0 HIADMM Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(F)cc4[O-])CC3)c2c1C ZINC000532012589 931284622 /nfs/dbraw/zinc/28/46/22/931284622.db2.gz UKYHELPRGRHOAI-UHFFFAOYSA-N -1 1 400.479 4.008 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000532079449 931304817 /nfs/dbraw/zinc/30/48/17/931304817.db2.gz GVNYOMFPDGASGD-UHFFFAOYSA-N -1 1 401.422 4.335 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)nc3C)ccc2C)cc1 ZINC000532285169 931383977 /nfs/dbraw/zinc/38/39/77/931383977.db2.gz LLKRGRGWMFCWSW-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532621711 931556994 /nfs/dbraw/zinc/55/69/94/931556994.db2.gz BUNRKCFIBIEAJA-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@H]1COc2ccccc21 ZINC000533179948 931802988 /nfs/dbraw/zinc/80/29/88/931802988.db2.gz OUFARUGIKLWUNL-CMPLNLGQSA-N -1 1 405.825 4.202 20 0 HIADMM O=c1nc(CN2CCc3ccccc3CC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000533301333 931833717 /nfs/dbraw/zinc/83/37/17/931833717.db2.gz QSKSDDKQPQVZGB-UHFFFAOYSA-N -1 1 405.498 4.392 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(c1ccccn1)C2)c1ccc(F)c2ncccc12 ZINC000533783735 932031047 /nfs/dbraw/zinc/03/10/47/932031047.db2.gz AEYMFYIMTBMOJP-UHFFFAOYSA-N -1 1 420.469 4.090 20 0 HIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1cnc([C@H]2CCCO2)s1 ZINC000534083529 932262519 /nfs/dbraw/zinc/26/25/19/932262519.db2.gz GTGAEVDBHBAZAS-SNVBAGLBSA-N -1 1 410.571 4.452 20 0 HIADMM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cnc([C@@H]2CCCO2)s1 ZINC000534088697 932267941 /nfs/dbraw/zinc/26/79/41/932267941.db2.gz HJRPCPRLFMBXLP-LBPRGKRZSA-N -1 1 406.920 4.343 20 0 HIADMM CN1CC[C@@H](CNC(=O)CC2(C(=O)[O-])CCCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534241523 932359543 /nfs/dbraw/zinc/35/95/43/932359543.db2.gz BOSMDSYCFQNXLS-JXFKEZNVSA-N -1 1 424.944 4.403 20 0 HIADMM CN1CC[C@H](CNC(=O)CC2(C(=O)[O-])CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534241738 932360118 /nfs/dbraw/zinc/36/01/18/932360118.db2.gz KNKBCTHVYFAIJZ-BEFAXECRSA-N -1 1 410.917 4.013 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1OC(F)(F)F ZINC000534671166 932641351 /nfs/dbraw/zinc/64/13/51/932641351.db2.gz JMCSGWBENWYTMY-UHFFFAOYSA-N -1 1 407.320 4.200 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1cccc(Br)c1 ZINC000534674364 932643454 /nfs/dbraw/zinc/64/34/54/932643454.db2.gz UIGLSZFUVWSHSR-UHFFFAOYSA-N -1 1 402.220 4.064 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)cc1Cl ZINC000535344316 933084543 /nfs/dbraw/zinc/08/45/43/933084543.db2.gz KANIWEDMYUNPFE-UHFFFAOYSA-N -1 1 421.931 4.126 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H](CO)c3ccc(C(F)(F)F)cc3)nc2)[n-]c(=O)c1C ZINC000535358814 933091207 /nfs/dbraw/zinc/09/12/07/933091207.db2.gz PWMXYBYSFJFRIK-INIZCTEOSA-N -1 1 404.392 4.025 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(O)c3F)cc2)cc1C ZINC000535657768 933302181 /nfs/dbraw/zinc/30/21/81/933302181.db2.gz GDEGWSZZTCPXRN-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000535893840 933473882 /nfs/dbraw/zinc/47/38/82/933473882.db2.gz XVLDKNIVNHPFFZ-UHFFFAOYSA-N -1 1 415.398 4.233 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)c(=O)[n-]1 ZINC000535938592 933505549 /nfs/dbraw/zinc/50/55/49/933505549.db2.gz RYMNGEBOIIXUGV-CYBMUJFWSA-N -1 1 408.593 4.253 20 0 HIADMM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)s1 ZINC000536117115 933666529 /nfs/dbraw/zinc/66/65/29/933666529.db2.gz PWWVIASNKWSFPI-UHFFFAOYSA-N -1 1 418.943 4.046 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(-c3ccc(Cl)cc3)s2)co1 ZINC000537790681 938376485 /nfs/dbraw/zinc/37/64/85/938376485.db2.gz JUNPCEMQPWTZEV-LLVKDONJSA-N -1 1 424.931 4.061 20 0 HIADMM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000537870954 938395441 /nfs/dbraw/zinc/39/54/41/938395441.db2.gz QWGHYLZXOQTFOP-OTYXRUKQSA-N -1 1 410.344 4.118 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000538011040 938461161 /nfs/dbraw/zinc/46/11/61/938461161.db2.gz AHPMMMNNJWTINS-UHFFFAOYSA-N -1 1 424.522 4.205 20 0 HIADMM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)C1 ZINC000538049107 938482466 /nfs/dbraw/zinc/48/24/66/938482466.db2.gz IREZPKSUQNFDQB-WBVHZDCISA-N -1 1 414.543 4.291 20 0 HIADMM COCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000538138506 938516359 /nfs/dbraw/zinc/51/63/59/938516359.db2.gz WXXVNOMOWHRYMN-UHFFFAOYSA-N -1 1 413.451 4.124 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)cc1 ZINC000538138040 938516593 /nfs/dbraw/zinc/51/65/93/938516593.db2.gz ZRIOJBMVXVOAMA-UHFFFAOYSA-N -1 1 421.412 4.051 20 0 HIADMM O=C(c1ccccc1Oc1ccc(Cl)cc1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000538225074 938564399 /nfs/dbraw/zinc/56/43/99/938564399.db2.gz SPSAOICCLVQBNU-LBPRGKRZSA-N -1 1 418.284 4.319 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000538452794 938625748 /nfs/dbraw/zinc/62/57/48/938625748.db2.gz FWTWEWCZYXZMON-UHFFFAOYSA-N -1 1 407.491 4.359 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c([O-])c2)c1 ZINC000538743758 938699499 /nfs/dbraw/zinc/69/94/99/938699499.db2.gz ILGIPTUTIXRJSV-AWEZNQCLSA-N -1 1 414.502 4.168 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1cccc(F)c1 ZINC000538755415 938703153 /nfs/dbraw/zinc/70/31/53/938703153.db2.gz SINKJPXAZVAUGJ-UHFFFAOYSA-N -1 1 409.311 4.157 20 0 HIADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000538838742 938722945 /nfs/dbraw/zinc/72/29/45/938722945.db2.gz KPQMFVKGYZXYIZ-UHFFFAOYSA-N -1 1 420.441 4.017 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc(F)ccc2Br)n[nH]c1-c1ccccc1 ZINC000539112079 938804733 /nfs/dbraw/zinc/80/47/33/938804733.db2.gz GXCQIAIMHPQTAS-UHFFFAOYSA-N -1 1 410.268 4.088 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCCc1ccc2ccccc2c1 ZINC000539417664 938857660 /nfs/dbraw/zinc/85/76/60/938857660.db2.gz RLKXTRQCUXLCNA-UHFFFAOYSA-N -1 1 400.475 4.312 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(C(F)(F)F)CCC2)cc1 ZINC000539775470 938933113 /nfs/dbraw/zinc/93/31/13/938933113.db2.gz MJTNRLLYBQTWPO-UHFFFAOYSA-N -1 1 412.433 4.011 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(F)cc1Br ZINC000563565980 945217624 /nfs/dbraw/zinc/21/76/24/945217624.db2.gz XEEMKLCUFQRJCK-UHFFFAOYSA-N -1 1 413.190 4.111 20 0 HIADMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc21 ZINC000539942428 938979860 /nfs/dbraw/zinc/97/98/60/938979860.db2.gz DZNZXSGPVDXLII-UHFFFAOYSA-N -1 1 412.515 4.019 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000540070285 939058027 /nfs/dbraw/zinc/05/80/27/939058027.db2.gz BRWRVRYPQICAKP-NHCUHLMSSA-N -1 1 424.497 4.046 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000540234475 939156129 /nfs/dbraw/zinc/15/61/29/939156129.db2.gz KOJJSXKETMRRJJ-LJQANCHMSA-N -1 1 420.600 4.318 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(C)CC3)cc1 ZINC000540547213 939300730 /nfs/dbraw/zinc/30/07/30/939300730.db2.gz SHGZZJXNDLGVAR-UHFFFAOYSA-N -1 1 421.522 4.040 20 0 HIADMM CC[C@@H](C)n1nc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000540553860 939302847 /nfs/dbraw/zinc/30/28/47/939302847.db2.gz ORXDWXCNIWNULW-OAHLLOKOSA-N -1 1 412.515 4.216 20 0 HIADMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540646505 939329711 /nfs/dbraw/zinc/32/97/11/939329711.db2.gz OWSGVOOOMWXAQC-YJBOKZPZSA-N -1 1 415.415 4.350 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)nn1[C@H](C)C1CC1 ZINC000540788735 939373094 /nfs/dbraw/zinc/37/30/94/939373094.db2.gz LBNZJAJSIPQJJI-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540795685 939375268 /nfs/dbraw/zinc/37/52/68/939375268.db2.gz ZJJNGJPOBNMNFY-UONOGXRCSA-N -1 1 411.449 4.297 20 0 HIADMM COc1cccc2ncnc(NCc3ccccc3[N-]S(=O)(=O)c3ccccc3)c21 ZINC000541173408 939484238 /nfs/dbraw/zinc/48/42/38/939484238.db2.gz QVUUBGDXBFVNME-UHFFFAOYSA-N -1 1 420.494 4.051 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cccc1C(F)(F)F ZINC000541806364 939638655 /nfs/dbraw/zinc/63/86/55/939638655.db2.gz KXUOYEJZDSHWLS-UHFFFAOYSA-N -1 1 424.444 4.040 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1Cl ZINC000541807862 939639166 /nfs/dbraw/zinc/63/91/66/939639166.db2.gz VVBLFMAWDJMUNA-JTQLQIEISA-N -1 1 418.298 4.066 20 0 HIADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)c1 ZINC000542006242 939682236 /nfs/dbraw/zinc/68/22/36/939682236.db2.gz OWBUYMICGDMMCK-UHFFFAOYSA-N -1 1 409.479 4.037 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccccc1-c1ccno1 ZINC000542013486 939684997 /nfs/dbraw/zinc/68/49/97/939684997.db2.gz YVKSNYUFSATTTL-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM O=C([O-])[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(Cl)c(F)c1 ZINC000577699384 939748685 /nfs/dbraw/zinc/74/86/85/939748685.db2.gz LEAFHRGTCPXECW-CYBMUJFWSA-N -1 1 412.755 4.240 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c(F)c1 ZINC000542238139 939770182 /nfs/dbraw/zinc/77/01/82/939770182.db2.gz YQVNKEHMKXNGPI-UHFFFAOYSA-N -1 1 408.426 4.349 20 0 HIADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000542417629 939817614 /nfs/dbraw/zinc/81/76/14/939817614.db2.gz BADIRTPBGHYCID-MRXNPFEDSA-N -1 1 404.507 4.135 20 0 HIADMM CC[C@@H](C)n1ncc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1C1CC1 ZINC000542941658 939882648 /nfs/dbraw/zinc/88/26/48/939882648.db2.gz DCRYMLMCYOXMAD-CQSZACIVSA-N -1 1 419.547 4.085 20 0 HIADMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nn1[C@H](C)C1CC1 ZINC000543322106 940029868 /nfs/dbraw/zinc/02/98/68/940029868.db2.gz WHTPYQMPLBPRSB-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000543699541 940163414 /nfs/dbraw/zinc/16/34/14/940163414.db2.gz YBCDIPGUYIWNCL-UHFFFAOYSA-N -1 1 421.507 4.274 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000543833651 940203377 /nfs/dbraw/zinc/20/33/77/940203377.db2.gz PQKGDGPJDFWODX-OAQYLSRUSA-N -1 1 418.900 4.290 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)c1 ZINC000543942204 940256590 /nfs/dbraw/zinc/25/65/90/940256590.db2.gz YFVJQTIXTKSVPU-UHFFFAOYSA-N -1 1 404.239 4.255 20 0 HIADMM CC[C@H]1CN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)c2cccc(Cl)c2O1 ZINC000544128622 940333543 /nfs/dbraw/zinc/33/35/43/940333543.db2.gz RUXWDPXSIXZTIM-LBPRGKRZSA-N -1 1 407.923 4.003 20 0 HIADMM Cc1ccc(NC(=O)c2cccnc2C2CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000544198254 940351270 /nfs/dbraw/zinc/35/12/70/940351270.db2.gz SIPSELPUUBIVAM-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)C(C)(C)C2)cc1 ZINC000544797178 940514983 /nfs/dbraw/zinc/51/49/83/940514983.db2.gz SQGGGZAYXRDCGU-KRWDZBQOSA-N -1 1 400.544 4.304 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1OC(C)C ZINC000544847127 940519006 /nfs/dbraw/zinc/51/90/06/940519006.db2.gz AXEIDFSCMMTQIS-UHFFFAOYSA-N -1 1 402.472 4.247 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)NC1(c2ccccc2)CC1 ZINC000544888356 940521963 /nfs/dbraw/zinc/52/19/63/940521963.db2.gz JZTCDAKVFDPXII-UHFFFAOYSA-N -1 1 407.495 4.298 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(CC(F)(F)F)no3)cc2)ccc1F ZINC000544972044 940529786 /nfs/dbraw/zinc/52/97/86/940529786.db2.gz FLDQAURHUDLMJK-UHFFFAOYSA-N -1 1 415.368 4.090 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@@H]3Cc4ccccc43)no2)cc1)c1ccc(F)cc1 ZINC000544985383 940530939 /nfs/dbraw/zinc/53/09/39/940530939.db2.gz QCWPUZVBPJBRON-HXUWFJFHSA-N -1 1 421.453 4.365 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@@H]1c1ccncc1 ZINC000545511404 940572511 /nfs/dbraw/zinc/57/25/11/940572511.db2.gz DIKKASRFSMMOLC-OAQYLSRUSA-N -1 1 422.510 4.251 20 0 HIADMM CC(C)c1noc(-c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)n1 ZINC000545553609 940574513 /nfs/dbraw/zinc/57/45/13/940574513.db2.gz CSYAJZFQNMVGBU-UHFFFAOYSA-N -1 1 422.304 4.423 20 0 HIADMM Cc1cccnc1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000545606593 940576938 /nfs/dbraw/zinc/57/69/38/940576938.db2.gz KAWJUCVDEJMBMD-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM COCCCCc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000545674144 940579983 /nfs/dbraw/zinc/57/99/83/940579983.db2.gz AMDHHIFOKCQICH-UHFFFAOYSA-N -1 1 415.515 4.123 20 0 HIADMM Cc1cc(Cc2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)n2)no1 ZINC000545734695 940582911 /nfs/dbraw/zinc/58/29/11/940582911.db2.gz URKDAXJJMQZPRH-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc([C@@H](C)c4ccncc4)no3)c2)cc1 ZINC000545798307 940600700 /nfs/dbraw/zinc/60/07/00/940600700.db2.gz FXZFGLDLMRYYFZ-INIZCTEOSA-N -1 1 420.494 4.393 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc([C@@H]4CCO[C@@H](C)C4)no3)c2)cc1 ZINC000545798848 940600767 /nfs/dbraw/zinc/60/07/67/940600767.db2.gz NIURRPKDQWDFOM-JKSUJKDBSA-N -1 1 413.499 4.128 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)ccc1-c1ccccc1 ZINC000545846741 940630907 /nfs/dbraw/zinc/63/09/07/940630907.db2.gz LUCIIIGTQJVJHS-UHFFFAOYSA-N -1 1 404.495 4.103 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)cc(Cl)c1[O-] ZINC000545856523 940639843 /nfs/dbraw/zinc/63/98/43/940639843.db2.gz AEFGKSVVNWELQG-MEDUHNTESA-N -1 1 418.877 4.045 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc(Cl)c1[O-] ZINC000545878491 940650325 /nfs/dbraw/zinc/65/03/25/940650325.db2.gz QVTWYSNQJPGGQK-CYBMUJFWSA-N -1 1 402.878 4.062 20 0 HIADMM CC[C@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000546219425 940732588 /nfs/dbraw/zinc/73/25/88/940732588.db2.gz FDPKCSBLUDIPKY-CQSZACIVSA-N -1 1 418.412 4.087 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000546237969 940740325 /nfs/dbraw/zinc/74/03/25/940740325.db2.gz ZXXYVKFFHDNEKJ-VIFPVBQESA-N -1 1 418.327 4.068 20 0 HIADMM CCSCc1noc(-c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000546430433 940818446 /nfs/dbraw/zinc/81/84/46/940818446.db2.gz PIKUGXCHCCSJOL-UHFFFAOYSA-N -1 1 409.920 4.444 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000546564662 940854254 /nfs/dbraw/zinc/85/42/54/940854254.db2.gz VWQNSAJRGPGHBP-CQSZACIVSA-N -1 1 405.853 4.319 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)cc(Cl)c1[O-] ZINC000546566463 940855071 /nfs/dbraw/zinc/85/50/71/940855071.db2.gz ZJJPUQVRQNWXAB-HUUCEWRRSA-N -1 1 418.921 4.306 20 0 HIADMM CCOc1cc(C(=O)N[C@H](CC(=O)OC)c2ccc(SC)cc2)cc(Cl)c1[O-] ZINC000546584460 940858212 /nfs/dbraw/zinc/85/82/12/940858212.db2.gz WHONFTODPQVYCO-MRXNPFEDSA-N -1 1 423.918 4.200 20 0 HIADMM CCOc1cc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)cc(Cl)c1[O-] ZINC000546584839 940858259 /nfs/dbraw/zinc/85/82/59/940858259.db2.gz ZOQJEPJEJYQPON-UHFFFAOYSA-N -1 1 403.866 4.324 20 0 HIADMM Cc1ccc(C(C)(C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cn1 ZINC000546864293 940897634 /nfs/dbraw/zinc/89/76/34/940897634.db2.gz ILQBXPZZUMSROR-UHFFFAOYSA-N -1 1 423.538 4.164 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000546892114 940903885 /nfs/dbraw/zinc/90/38/85/940903885.db2.gz HXNBNWUKIDNDPY-HNNXBMFYSA-N -1 1 411.214 4.113 20 0 HIADMM CCOc1cc(C(=O)N(CC(=O)OC(C)(C)C)c2ccccc2)cc(Cl)c1[O-] ZINC000547267759 941048879 /nfs/dbraw/zinc/04/88/79/941048879.db2.gz NEAWKNLMRJRRAR-UHFFFAOYSA-N -1 1 405.878 4.433 20 0 HIADMM COc1cc(C(=O)Nc2ccc(I)cc2C)cc(Cl)c1[O-] ZINC000547300035 941055095 /nfs/dbraw/zinc/05/50/95/941055095.db2.gz VWQUAZZWGRAZAP-UHFFFAOYSA-N -1 1 417.630 4.220 20 0 HIADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2oc3ccc(Cl)cc3c2C)n[n-]1 ZINC000548066771 941085302 /nfs/dbraw/zinc/08/53/02/941085302.db2.gz UUNOBJBFISNVRG-CQSZACIVSA-N -1 1 418.881 4.207 20 0 HIADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2oc3ccc(Cl)cc3c2C)[n-]1 ZINC000548066771 941085304 /nfs/dbraw/zinc/08/53/04/941085304.db2.gz UUNOBJBFISNVRG-CQSZACIVSA-N -1 1 418.881 4.207 20 0 HIADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2oc3ccc(Cl)cc3c2C)n1 ZINC000548066771 941085307 /nfs/dbraw/zinc/08/53/07/941085307.db2.gz UUNOBJBFISNVRG-CQSZACIVSA-N -1 1 418.881 4.207 20 0 HIADMM CN1Cc2cc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)ccc2NC1=O ZINC000548149962 941089041 /nfs/dbraw/zinc/08/90/41/941089041.db2.gz CNNKQSHIZAAYEE-UHFFFAOYSA-N -1 1 407.451 4.364 20 0 HIADMM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1c(Cl)cccc1C(F)(F)F ZINC000548370990 941098260 /nfs/dbraw/zinc/09/82/60/941098260.db2.gz JJHJABBKNWXWJD-CYBMUJFWSA-N -1 1 409.788 4.300 20 0 HIADMM COc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N-]S(C)(=O)=O ZINC000548372954 941098379 /nfs/dbraw/zinc/09/83/79/941098379.db2.gz BCFZNPFAXWUQRX-UHFFFAOYSA-N -1 1 404.275 4.018 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccccc2Cl)n[n-]1 ZINC000548394769 941099357 /nfs/dbraw/zinc/09/93/57/941099357.db2.gz CHTYATVZLVQMAS-OCCSQVGLSA-N -1 1 424.954 4.019 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccccc2Cl)[n-]1 ZINC000548394769 941099359 /nfs/dbraw/zinc/09/93/59/941099359.db2.gz CHTYATVZLVQMAS-OCCSQVGLSA-N -1 1 424.954 4.019 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccccc2Cl)n1 ZINC000548394769 941099361 /nfs/dbraw/zinc/09/93/61/941099361.db2.gz CHTYATVZLVQMAS-OCCSQVGLSA-N -1 1 424.954 4.019 20 0 HIADMM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)ccc2c1 ZINC000548432845 941103828 /nfs/dbraw/zinc/10/38/28/941103828.db2.gz BDKPPELSWRWPSK-ZDUSSCGKSA-N -1 1 416.474 4.101 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@](F)(c4cccc(C(F)(F)F)c4)C3)cnc2n1 ZINC000549409957 941187248 /nfs/dbraw/zinc/18/72/48/941187248.db2.gz MDVWUJCFOWVUJR-FQEVSTJZSA-N -1 1 419.378 4.374 20 0 HIADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@@](F)(c4cccc(C(F)(F)F)c4)C3)c[n-]c2n1 ZINC000549409957 941187250 /nfs/dbraw/zinc/18/72/50/941187250.db2.gz MDVWUJCFOWVUJR-FQEVSTJZSA-N -1 1 419.378 4.374 20 0 HIADMM CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000549929806 941241803 /nfs/dbraw/zinc/24/18/03/941241803.db2.gz SFGWLLGWOAMKGJ-UHFFFAOYSA-N -1 1 421.368 4.132 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Sc3nnc(C)s3)cc2C)c1 ZINC000550473166 941330727 /nfs/dbraw/zinc/33/07/27/941330727.db2.gz IKZCYWCKSRAKHR-UHFFFAOYSA-N -1 1 421.569 4.253 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)c2ccccc12 ZINC000551096702 941409039 /nfs/dbraw/zinc/40/90/39/941409039.db2.gz RCAYGTWRHNWOSO-UHFFFAOYSA-N -1 1 420.494 4.093 20 0 HIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cccc(Br)c1F ZINC000551171088 941421633 /nfs/dbraw/zinc/42/16/33/941421633.db2.gz ALNRCGRNOHLKIJ-UHFFFAOYSA-N -1 1 417.275 4.128 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3nccc4[nH]ccc43)no2)c1)c1ccccc1 ZINC000551435954 941478631 /nfs/dbraw/zinc/47/86/31/941478631.db2.gz XCVJHSYQVRXVLH-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM Cc1c(S(=O)(=O)Nc2ccc(C)cc2SCCC(=O)[O-])c2ccccc2n1C ZINC000551467254 941485799 /nfs/dbraw/zinc/48/57/99/941485799.db2.gz VUPFUWSWZDBNTK-UHFFFAOYSA-N -1 1 418.540 4.163 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000552442497 941672762 /nfs/dbraw/zinc/67/27/62/941672762.db2.gz ZGTZWCJEYBXKEU-KRWDZBQOSA-N -1 1 400.194 4.144 20 0 HIADMM CCc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)n1 ZINC000552482712 941683564 /nfs/dbraw/zinc/68/35/64/941683564.db2.gz FHQLVQZLMSXBFY-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM CC(C)(CNC(=O)c1ccc(Br)c([O-])c1)Oc1cc(F)cc(F)c1 ZINC000552718938 941744595 /nfs/dbraw/zinc/74/45/95/941744595.db2.gz JFVASTMAUSYZJC-UHFFFAOYSA-N -1 1 400.219 4.020 20 0 HIADMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000552923986 941804003 /nfs/dbraw/zinc/80/40/03/941804003.db2.gz VVWRMAKXMWVKLZ-UHFFFAOYSA-N -1 1 413.495 4.092 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000553010841 941815706 /nfs/dbraw/zinc/81/57/06/941815706.db2.gz BOUZBKDRWZBDIT-NWDGAFQWSA-N -1 1 417.289 4.246 20 0 HIADMM COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000553225696 941852624 /nfs/dbraw/zinc/85/26/24/941852624.db2.gz FVWXSQMXOHEVCH-RDTXWAMCSA-N -1 1 415.559 4.154 20 0 HIADMM COc1ccccc1O[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000553232936 941853670 /nfs/dbraw/zinc/85/36/70/941853670.db2.gz JDCPAPJEKZBWEU-OAHLLOKOSA-N -1 1 412.873 4.286 20 0 HIADMM Cc1cncc(CCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000553313514 941865909 /nfs/dbraw/zinc/86/59/09/941865909.db2.gz OXBSWSBAIARIIV-UHFFFAOYSA-N -1 1 409.511 4.071 20 0 HIADMM COC[C@@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 ZINC000554047529 942025261 /nfs/dbraw/zinc/02/52/61/942025261.db2.gz GDZQRQIALNAAKJ-JOCHJYFZSA-N -1 1 414.502 4.104 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ncc(-c3cccc(C)c3)s2)c(=O)[n-]1 ZINC000554112430 942038908 /nfs/dbraw/zinc/03/89/08/942038908.db2.gz SYFOIBGZSSWBSY-UHFFFAOYSA-N -1 1 400.529 4.216 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cc4ccccc4[nH]3)cc2)cc1 ZINC000554251156 942078816 /nfs/dbraw/zinc/07/88/16/942078816.db2.gz SOTZGQNVFDJAQW-UHFFFAOYSA-N -1 1 419.506 4.207 20 0 HIADMM CSc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000554656313 942189751 /nfs/dbraw/zinc/18/97/51/942189751.db2.gz YKVDJZOHJBOYSB-UHFFFAOYSA-N -1 1 413.524 4.165 20 0 HIADMM COCCOc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1Cl ZINC000554686550 942198484 /nfs/dbraw/zinc/19/84/84/942198484.db2.gz PSKXUBGIKWMRMX-UHFFFAOYSA-N -1 1 408.278 4.267 20 0 HIADMM O=S(=O)([N-]c1cc2c(cc1Br)CCC2)c1cccnc1C(F)(F)F ZINC000554687548 942200307 /nfs/dbraw/zinc/20/03/07/942200307.db2.gz NNVHOFSCXGUSSW-UHFFFAOYSA-N -1 1 421.238 4.152 20 0 HIADMM CCOC(=O)c1nc(-c2ccccc2)oc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000554944306 942327733 /nfs/dbraw/zinc/32/77/33/942327733.db2.gz MOBYIIONCJLJMI-UHFFFAOYSA-N -1 1 407.398 4.244 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)C2(c3cccc(Cl)c3)CC(=O)C2)c1 ZINC000555085125 942382067 /nfs/dbraw/zinc/38/20/67/942382067.db2.gz NUBITTHPLODDMW-UHFFFAOYSA-N -1 1 408.679 4.356 20 0 HIADMM COc1ccc([C@@H](NC(=O)c2cncc([O-])c2)c2ccccc2)cc1Br ZINC000555869015 942759878 /nfs/dbraw/zinc/75/98/78/942759878.db2.gz KBIDIWWBQXPEPK-IBGZPJMESA-N -1 1 413.271 4.078 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1csc([C@@H]2CCCO2)n1 ZINC000556847432 942938614 /nfs/dbraw/zinc/93/86/14/942938614.db2.gz JGEUSNXEYUFKAE-NSHDSACASA-N -1 1 403.685 4.368 20 0 HIADMM CC(C)[C@@H]1N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC12CCC2 ZINC000557367785 943089783 /nfs/dbraw/zinc/08/97/83/943089783.db2.gz DLOLVWIFHDHFFH-FQEVSTJZSA-N -1 1 416.518 4.277 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4n3C)cc2)cc1 ZINC000557434788 943124797 /nfs/dbraw/zinc/12/47/97/943124797.db2.gz MWGRFQOBESMMBW-UHFFFAOYSA-N -1 1 407.495 4.188 20 0 HIADMM FC(F)(F)c1nsc(=NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[n-]1 ZINC000557574147 943215804 /nfs/dbraw/zinc/21/58/04/943215804.db2.gz SUNABHUMGVUQEN-UHFFFAOYSA-N -1 1 411.280 4.362 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000557639198 943244332 /nfs/dbraw/zinc/24/43/32/943244332.db2.gz KKVVQIKNSASYBC-VGOFRKELSA-N -1 1 416.525 4.485 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC2(c3ccc(C)cc3C)CCCC2)c(=O)[n-]1 ZINC000557992081 943348676 /nfs/dbraw/zinc/34/86/76/943348676.db2.gz PIXOKGYNKZLLAZ-UHFFFAOYSA-N -1 1 413.587 4.390 20 0 HIADMM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000558199901 943428210 /nfs/dbraw/zinc/42/82/10/943428210.db2.gz GOKISLXSPYGUQR-YCRPNKLZSA-N -1 1 423.494 4.131 20 0 HIADMM O=C(NCc1cc2ccccc2[nH]1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000558372224 943531301 /nfs/dbraw/zinc/53/13/01/943531301.db2.gz NXIUQGKFDXKCKL-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000558463117 943566525 /nfs/dbraw/zinc/56/65/25/943566525.db2.gz BFNLFQIPAYTVKN-GFCCVEGCSA-N -1 1 419.457 4.042 20 0 HIADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)c1 ZINC000558584992 943609204 /nfs/dbraw/zinc/60/92/04/943609204.db2.gz BMRVOHJPPGNOKL-UHFFFAOYSA-N -1 1 423.918 4.178 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)C(F)(F)F)c2)c1 ZINC000558718341 943632575 /nfs/dbraw/zinc/63/25/75/943632575.db2.gz AFSOIAJXPOBZJF-UHFFFAOYSA-N -1 1 414.449 4.114 20 0 HIADMM C[C@@H]1CN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c2ccccc21 ZINC000559300795 943892625 /nfs/dbraw/zinc/89/26/25/943892625.db2.gz OYINTTQIZLAHMY-MRXNPFEDSA-N -1 1 424.497 4.319 20 0 HIADMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Cl)c(F)c3Cl)cccc21 ZINC000559961467 944100656 /nfs/dbraw/zinc/10/06/56/944100656.db2.gz ZBWLZZAFHRLSAQ-CYBMUJFWSA-N -1 1 419.305 4.319 20 0 HIADMM O=C([O-])C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1cccc(C(F)(F)F)c1 ZINC000559980970 944108981 /nfs/dbraw/zinc/10/89/81/944108981.db2.gz CSPSOKYILLKFKC-LJQANCHMSA-N -1 1 403.404 4.256 20 0 HIADMM COc1cc2c(c(CN[C@H](CC(=O)[O-])c3cccc(C(F)(F)F)c3)c1)O[C@H](C)C2 ZINC000559981573 944109356 /nfs/dbraw/zinc/10/93/56/944109356.db2.gz QAIAQCSLQFFPHH-KZULUSFZSA-N -1 1 409.404 4.343 20 0 HIADMM O=S(=O)(Cc1nc(C2CCCCC2)cs1)c1nnc(-c2ccccc2F)[n-]1 ZINC000559995538 944117195 /nfs/dbraw/zinc/11/71/95/944117195.db2.gz PKAJFVMLLXMMEZ-UHFFFAOYSA-N -1 1 406.508 4.089 20 0 HIADMM O=S(=O)(Cc1nc(C2CCCCC2)cs1)c1n[n-]c(-c2ccccc2F)n1 ZINC000559995538 944117206 /nfs/dbraw/zinc/11/72/06/944117206.db2.gz PKAJFVMLLXMMEZ-UHFFFAOYSA-N -1 1 406.508 4.089 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000560356469 944228107 /nfs/dbraw/zinc/22/81/07/944228107.db2.gz XAROLMBADNOIMC-OAQYLSRUSA-N -1 1 415.515 4.426 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc(-c2ccccn2)[nH]c1=O ZINC000560503992 944239059 /nfs/dbraw/zinc/23/90/59/944239059.db2.gz WOJAASFNTDQOSB-UHFFFAOYSA-N -1 1 420.650 4.223 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000561114653 944463910 /nfs/dbraw/zinc/46/39/10/944463910.db2.gz YUNRWAACIYYYDB-AWEZNQCLSA-N -1 1 404.507 4.115 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1Br ZINC000561160589 944489301 /nfs/dbraw/zinc/48/93/01/944489301.db2.gz KOHACJLWVDKQTO-UHFFFAOYSA-N -1 1 407.289 4.254 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(OC)c(OC)c1 ZINC000561544621 944664680 /nfs/dbraw/zinc/66/46/80/944664680.db2.gz WYZSLTXFWJABQU-ZDUSSCGKSA-N -1 1 405.850 4.065 20 0 HIADMM Cc1ccc(NC(=O)[C@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)c(Br)c1 ZINC000562043569 944908137 /nfs/dbraw/zinc/90/81/37/944908137.db2.gz PLNATCMAKCKKBE-QMMMGPOBSA-N -1 1 418.263 4.310 20 0 HIADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000562164291 944991326 /nfs/dbraw/zinc/99/13/26/944991326.db2.gz RKUKXUSSYKDFKQ-VXGBXAGGSA-N -1 1 409.349 4.449 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)cc1Cl ZINC000562227114 945031830 /nfs/dbraw/zinc/03/18/30/945031830.db2.gz PCIUZTDKEBIGIG-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM CCC[C@H]1SCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000564236163 945453137 /nfs/dbraw/zinc/45/31/37/945453137.db2.gz HIJDCPKLSOPWOG-LJQANCHMSA-N -1 1 422.547 4.250 20 0 HIADMM Cc1nc(-c2cccc(NC(=O)CSc3nc(C(F)F)cc(=O)[n-]3)c2)cs1 ZINC000564392226 945551383 /nfs/dbraw/zinc/55/13/83/945551383.db2.gz VEAXRIGWGPJBKG-UHFFFAOYSA-N -1 1 408.455 4.283 20 0 HIADMM O=C(NCC(F)(F)c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000564516407 945643155 /nfs/dbraw/zinc/64/31/55/945643155.db2.gz FYHNXYCERNRTBS-UHFFFAOYSA-N -1 1 416.449 4.009 20 0 HIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000565694111 945869960 /nfs/dbraw/zinc/86/99/60/945869960.db2.gz MZLAIDCJYFMTDW-UHFFFAOYSA-N -1 1 404.305 4.092 20 0 HIADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000566377918 946014123 /nfs/dbraw/zinc/01/41/23/946014123.db2.gz TYTUMKNCQUPQBT-BLVKFPJESA-N -1 1 400.837 4.335 20 0 HIADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@H](c2ccc(F)cc2)O1 ZINC000566377920 946014198 /nfs/dbraw/zinc/01/41/98/946014198.db2.gz TYTUMKNCQUPQBT-CWTRNNRKSA-N -1 1 400.837 4.335 20 0 HIADMM O=C([O-])[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1ccccc1Br ZINC000567052465 946227645 /nfs/dbraw/zinc/22/76/45/946227645.db2.gz PRMPQCINNQARPN-OAHLLOKOSA-N -1 1 418.209 4.306 20 0 HIADMM CC(C)(NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1F ZINC000567240839 946276909 /nfs/dbraw/zinc/27/69/09/946276909.db2.gz CVXLFGRAGNMBBY-UHFFFAOYSA-N -1 1 412.486 4.292 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c3c(cc4c2CCC4)CCC3)cc1Cl ZINC000570866398 947375492 /nfs/dbraw/zinc/37/54/92/947375492.db2.gz PCDZAHWJROEIPU-UHFFFAOYSA-N -1 1 404.919 4.077 20 0 HIADMM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)C1 ZINC000571588628 947715826 /nfs/dbraw/zinc/71/58/26/947715826.db2.gz OQPGODPQVKKRJE-QWRGUYRKSA-N -1 1 417.731 4.031 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c(=O)[n-]1 ZINC000572268249 947873223 /nfs/dbraw/zinc/87/32/23/947873223.db2.gz KTVIIAHPEHSJBT-INIZCTEOSA-N -1 1 424.448 4.046 20 0 HIADMM COCCOc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1Cl ZINC000572676089 947978720 /nfs/dbraw/zinc/97/87/20/947978720.db2.gz LRYPUUWHFOBAIY-UHFFFAOYSA-N -1 1 404.315 4.436 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1cccc(Br)c1F ZINC000573011880 948057574 /nfs/dbraw/zinc/05/75/74/948057574.db2.gz QMOVDOUEZZKTKU-UHFFFAOYSA-N -1 1 420.210 4.203 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCc4occc4C3)cc2)c1C ZINC000573012026 948057645 /nfs/dbraw/zinc/05/76/45/948057645.db2.gz XHGVITXPOSDBLF-UHFFFAOYSA-N -1 1 424.522 4.286 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000573130220 948083284 /nfs/dbraw/zinc/08/32/84/948083284.db2.gz ADVKHQGYKZXQBB-QAQDUYKDSA-N -1 1 422.916 4.201 20 0 HIADMM Cc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000573888813 948321905 /nfs/dbraw/zinc/32/19/05/948321905.db2.gz YHHXENLDAYLWRO-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC(C)=O)cc1C ZINC000574831282 948538128 /nfs/dbraw/zinc/53/81/28/948538128.db2.gz OEBGPQLTVQNRNZ-UHFFFAOYSA-N -1 1 416.421 4.090 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)c(C)c1F ZINC000575829935 948727784 /nfs/dbraw/zinc/72/77/84/948727784.db2.gz QETKYBACHYMRIE-UHFFFAOYSA-N -1 1 420.437 4.057 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H]3CCC(F)(F)C3)cc2)cc1C ZINC000435959244 861221396 /nfs/dbraw/zinc/22/13/96/861221396.db2.gz NNRNYPLYNQGRQE-INIZCTEOSA-N -1 1 422.497 4.269 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)c2nc3cc(Cl)ccc3s2)c(=O)[n-]1 ZINC000435979052 861244437 /nfs/dbraw/zinc/24/44/37/861244437.db2.gz PWUXYOPECAQZMP-UHFFFAOYSA-N -1 1 408.936 4.071 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1OCC(F)(F)F ZINC000436013917 861305091 /nfs/dbraw/zinc/30/50/91/861305091.db2.gz DBMTZKZFQKEJMR-UHFFFAOYSA-N -1 1 407.435 4.159 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1Br ZINC000436014295 861306231 /nfs/dbraw/zinc/30/62/31/861306231.db2.gz FAOWFTSHKQAQCR-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM CCOc1cc(C(=O)N(CCc2ccccn2)Cc2cccnc2)cc(Cl)c1[O-] ZINC000436031252 861323370 /nfs/dbraw/zinc/32/33/70/861323370.db2.gz DIKWEVMZDPJWPZ-UHFFFAOYSA-N -1 1 411.889 4.119 20 0 HIADMM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1(C)C ZINC000436094887 861377375 /nfs/dbraw/zinc/37/73/75/861377375.db2.gz XPUAKYSYIFDOHL-KXBFYZLASA-N -1 1 414.527 4.067 20 0 HIADMM C[C@H]1C(=O)CC[C@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1(C)C ZINC000436104269 861388455 /nfs/dbraw/zinc/38/84/55/861388455.db2.gz UGHTYFSTWDTPCJ-HNAYVOBHSA-N -1 1 414.527 4.067 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(F)(F)F)c(C)s1 ZINC000436197298 861497154 /nfs/dbraw/zinc/49/71/54/861497154.db2.gz KEGVLOQGZMLEBW-UHFFFAOYSA-N -1 1 418.462 4.007 20 0 HIADMM CCOc1ccc(-c2nc(CSc3nc([O-])cc(=O)n3C3CCCC3)co2)cc1 ZINC000436209758 861510782 /nfs/dbraw/zinc/51/07/82/861510782.db2.gz MUKGVWYXCDDVDU-UHFFFAOYSA-N -1 1 413.499 4.410 20 0 HIADMM COC(=O)c1sc2ccccc2c1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000436211446 861511088 /nfs/dbraw/zinc/51/10/88/861511088.db2.gz QLJIZZNYGIMFGV-UHFFFAOYSA-N -1 1 416.524 4.358 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccn1 ZINC000002630532 845008441 /nfs/dbraw/zinc/00/84/41/845008441.db2.gz LDQOBXRUQGYFJN-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)cc1F ZINC000005084086 845081081 /nfs/dbraw/zinc/08/10/81/845081081.db2.gz HAIPRUIZEASOHE-UHFFFAOYSA-N -1 1 403.460 4.011 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000006317019 845189884 /nfs/dbraw/zinc/18/98/84/845189884.db2.gz XGAUUIRLDBHLHJ-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CCc1cc2c(COC(=O)/C=C/c3ccc4ccccc4n3)cc(=O)oc2cc1[O-] ZINC000006558704 845210757 /nfs/dbraw/zinc/21/07/57/845210757.db2.gz YWUICNDOVPKRHG-MDZDMXLPSA-N -1 1 401.418 4.366 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000007054753 845242204 /nfs/dbraw/zinc/24/22/04/845242204.db2.gz CKQRJFWJOVUVAE-UHFFFAOYSA-N -1 1 401.315 4.276 20 0 HIADMM CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000007175574 845271258 /nfs/dbraw/zinc/27/12/58/845271258.db2.gz JWCWSEQGUUMVHD-UHFFFAOYSA-N -1 1 402.903 4.387 20 0 HIADMM C[C@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000007259332 845297792 /nfs/dbraw/zinc/29/77/92/845297792.db2.gz UNXFUSZLJNYMPF-HNNXBMFYSA-N -1 1 412.536 4.308 20 0 HIADMM O=C(Nc1ccc(F)c(F)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008033292 845464396 /nfs/dbraw/zinc/46/43/96/845464396.db2.gz DUGOACPAKWFCEA-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM COc1ccc(C)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000008033360 845464502 /nfs/dbraw/zinc/46/45/02/845464502.db2.gz OQOMOSGWFLWONT-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)cc1 ZINC000008033629 845465635 /nfs/dbraw/zinc/46/56/35/845465635.db2.gz BMKKHLXROIRCHI-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000008286909 845506742 /nfs/dbraw/zinc/50/67/42/845506742.db2.gz NBQPSEMHXBCOAH-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)ccn1 ZINC000010164425 845625706 /nfs/dbraw/zinc/62/57/06/845625706.db2.gz RZEKARZHGXQETQ-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM Cc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000010555115 845674482 /nfs/dbraw/zinc/67/44/82/845674482.db2.gz BOLIMLAXKWUMIV-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CC(C)c1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000010556731 845674718 /nfs/dbraw/zinc/67/47/18/845674718.db2.gz IWYKFWPOQQDNCV-UHFFFAOYSA-N -1 1 419.503 4.459 20 0 HIADMM O=C(COc1ccccc1-c1ccccc1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000010593786 845679225 /nfs/dbraw/zinc/67/92/25/845679225.db2.gz MCVZROOWBIOLKA-UHFFFAOYSA-N -1 1 402.402 4.288 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000010997230 845739724 /nfs/dbraw/zinc/73/97/24/845739724.db2.gz JODIGYFKBCNRNM-UHFFFAOYSA-N -1 1 418.522 4.265 20 0 HIADMM Cc1ccc(COC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000011202409 845765645 /nfs/dbraw/zinc/76/56/45/845765645.db2.gz ZFKVCXMOHMOJLK-UHFFFAOYSA-N -1 1 413.470 4.221 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000011918088 845841251 /nfs/dbraw/zinc/84/12/51/845841251.db2.gz FLGOFEZOSQTNAO-UHFFFAOYSA-N -1 1 414.512 4.349 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1cc(F)c(F)cc1Cl ZINC000012688979 845884351 /nfs/dbraw/zinc/88/43/51/845884351.db2.gz CDBHRBAEFULESX-UHFFFAOYSA-N -1 1 407.829 4.125 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000012970424 845900916 /nfs/dbraw/zinc/90/09/16/845900916.db2.gz WWUKWDJMLQJXMS-UHFFFAOYSA-N -1 1 418.824 4.286 20 0 HIADMM O=c1cc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)c2ccc([O-])cc2o1 ZINC000013295102 845912611 /nfs/dbraw/zinc/91/26/11/845912611.db2.gz RSPGMXAIXYMWBR-UHFFFAOYSA-N -1 1 420.425 4.059 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1Cl ZINC000014097724 845925149 /nfs/dbraw/zinc/92/51/49/845925149.db2.gz PJJQWSJLMJFHJR-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1 ZINC000015212344 846019407 /nfs/dbraw/zinc/01/94/07/846019407.db2.gz QJQAXMNDWMQAFZ-UYRXBGFRSA-N -1 1 415.405 4.249 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1 ZINC000015344304 846037230 /nfs/dbraw/zinc/03/72/30/846037230.db2.gz CJWOSPAIGXTOKO-UHFFFAOYSA-N -1 1 400.544 4.329 20 0 HIADMM COc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000015352908 846038758 /nfs/dbraw/zinc/03/87/58/846038758.db2.gz FHXWFJOBYAUMSF-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000015414253 846045393 /nfs/dbraw/zinc/04/53/93/846045393.db2.gz AKMBSAFYYMAIPD-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM COc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000015437007 846049636 /nfs/dbraw/zinc/04/96/36/846049636.db2.gz IXXSFWTXMYYNMA-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1ccc(F)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c1 ZINC000015541794 846061053 /nfs/dbraw/zinc/06/10/53/846061053.db2.gz WMTAYWWUAPPRHF-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1cc(C)cc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000015591431 846068066 /nfs/dbraw/zinc/06/80/66/846068066.db2.gz MUZOKEJCYVTVFQ-UHFFFAOYSA-N -1 1 412.486 4.425 20 0 HIADMM CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015617843 846074378 /nfs/dbraw/zinc/07/43/78/846074378.db2.gz MXRPYLKIDMJKHX-UHFFFAOYSA-N -1 1 404.875 4.006 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1F ZINC000015615548 846074412 /nfs/dbraw/zinc/07/44/12/846074412.db2.gz JLATYPBZIHAGPY-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OCCC ZINC000016095989 846123590 /nfs/dbraw/zinc/12/35/90/846123590.db2.gz IZUXYNNZWWXMCI-UHFFFAOYSA-N -1 1 406.504 4.023 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(F)cc(F)c3)c2)cc1F ZINC000016305240 846151186 /nfs/dbraw/zinc/15/11/86/846151186.db2.gz YXOCILBAOJBYHV-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000016490150 846178906 /nfs/dbraw/zinc/17/89/06/846178906.db2.gz JSHFBEILPUJNLR-UHFFFAOYSA-N -1 1 408.314 4.444 20 0 HIADMM COc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC000016505864 846179522 /nfs/dbraw/zinc/17/95/22/846179522.db2.gz IUYNCYLMADZZPO-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(N(C)C)cc3)c2)c1 ZINC000016597259 846188088 /nfs/dbraw/zinc/18/80/88/846188088.db2.gz DXQQEFPRKSGUEQ-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1 ZINC000016598308 846188435 /nfs/dbraw/zinc/18/84/35/846188435.db2.gz GXCNGTNSCYKBGA-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000017064727 846229410 /nfs/dbraw/zinc/22/94/10/846229410.db2.gz CIPFSTIJNQGXCT-UHFFFAOYSA-N -1 1 406.433 4.251 20 0 HIADMM CCCCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000017441917 846252622 /nfs/dbraw/zinc/25/26/22/846252622.db2.gz FLVQQZCDTONMOR-UHFFFAOYSA-N -1 1 418.559 4.041 20 0 HIADMM Cc1ccc(C(=O)Nc2ccncc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000017585821 846260066 /nfs/dbraw/zinc/26/00/66/846260066.db2.gz PLSPQAOHOFYCBL-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CN(Cc1cccc(Cl)c1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000018009043 846283524 /nfs/dbraw/zinc/28/35/24/846283524.db2.gz KEGKOKCGHYAASJ-UHFFFAOYSA-N -1 1 414.914 4.413 20 0 HIADMM C[C@H](NC(=O)Cn1c(-c2ccc(Cl)cc2)n[n-]c1=S)c1ccc(F)cc1F ZINC000018015609 846284692 /nfs/dbraw/zinc/28/46/92/846284692.db2.gz KTUAVGVWYALHQR-JTQLQIEISA-N -1 1 408.861 4.417 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCCCSc2ccc(F)cc2)c1 ZINC000018022704 846286904 /nfs/dbraw/zinc/28/69/04/846286904.db2.gz PASZGKMSUWGNNU-UHFFFAOYSA-N -1 1 416.547 4.354 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCCSc2ccc(Cl)cc2)c1 ZINC000018205759 846309631 /nfs/dbraw/zinc/30/96/31/846309631.db2.gz BYGRJJBUTIKJJJ-UHFFFAOYSA-N -1 1 418.975 4.478 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000018707641 846338542 /nfs/dbraw/zinc/33/85/42/846338542.db2.gz QIGDQKWUVJMDCB-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c1 ZINC000020816029 846389597 /nfs/dbraw/zinc/38/95/97/846389597.db2.gz VMQXZEBPKINGFK-IAGOWNOFSA-N -1 1 400.544 4.222 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000021216452 846417326 /nfs/dbraw/zinc/41/73/26/846417326.db2.gz WODVTBPQDHJEQY-UHFFFAOYSA-N -1 1 403.305 4.317 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc3cnccc32)cc1 ZINC000021218437 846418491 /nfs/dbraw/zinc/41/84/91/846418491.db2.gz DOPXZKRNXUQXTF-UHFFFAOYSA-N -1 1 405.483 4.193 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000021221317 846418533 /nfs/dbraw/zinc/41/85/33/846418533.db2.gz CEDPORJBEPGNAY-UHFFFAOYSA-N -1 1 404.532 4.148 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)ccc1F ZINC000021895804 846508049 /nfs/dbraw/zinc/50/80/49/846508049.db2.gz REYXAJKZJOQTHR-GJZGRUSLSA-N -1 1 404.507 4.053 20 0 HIADMM COc1ccc(CCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000022030466 846523784 /nfs/dbraw/zinc/52/37/84/846523784.db2.gz VGOCXJYYVCFUFE-UHFFFAOYSA-N -1 1 420.490 4.336 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccnn3C(C)C)ccc2C)cc1 ZINC000022290217 846554268 /nfs/dbraw/zinc/55/42/68/846554268.db2.gz MAYJLMHRUSABMB-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CCCOc1ccccc1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000022355172 846559087 /nfs/dbraw/zinc/55/90/87/846559087.db2.gz SLYRRVNFDSPZLV-UHFFFAOYSA-N -1 1 412.515 4.434 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1OC ZINC000022408406 846567354 /nfs/dbraw/zinc/56/73/54/846567354.db2.gz BRPNTBRWAVSPGN-UHFFFAOYSA-N -1 1 407.435 4.159 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC[C@H]3CC3(Cl)Cl)cc2)cc1 ZINC000022611320 846593454 /nfs/dbraw/zinc/59/34/54/846593454.db2.gz GIXUBWMYVWSEOY-CQSZACIVSA-N -1 1 414.310 4.146 20 0 HIADMM Cc1cccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])c1 ZINC000022993276 846646797 /nfs/dbraw/zinc/64/67/97/846646797.db2.gz YPBSAWYEZVPWSV-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccccc2F)cc1 ZINC000023484314 846706062 /nfs/dbraw/zinc/70/60/62/846706062.db2.gz GLTOHQZNZFZQRP-UHFFFAOYSA-N -1 1 414.506 4.194 20 0 HIADMM O=C(N[C@H](c1ccccc1)C1CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000024026756 846777047 /nfs/dbraw/zinc/77/70/47/846777047.db2.gz YKWUVVODVYYYQC-JOCHJYFZSA-N -1 1 406.507 4.369 20 0 HIADMM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000024241959 846805497 /nfs/dbraw/zinc/80/54/97/846805497.db2.gz ISLNFVWSYIQOCC-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1 ZINC000024430002 846823382 /nfs/dbraw/zinc/82/33/82/846823382.db2.gz GKUBLFNBUNPEBQ-UHFFFAOYSA-N -1 1 416.421 4.371 20 0 HIADMM O=C([N-]NC(=O)c1ccc(Cl)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000024459572 846826939 /nfs/dbraw/zinc/82/69/39/846826939.db2.gz BWWFYHKJEHCUCG-UHFFFAOYSA-N -1 1 410.238 4.191 20 0 HIADMM CCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1Cl ZINC000025614932 847007418 /nfs/dbraw/zinc/00/74/18/847007418.db2.gz RQHNGPKTDFQYCH-UHFFFAOYSA-N -1 1 424.950 4.412 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1 ZINC000025875455 847050816 /nfs/dbraw/zinc/05/08/16/847050816.db2.gz UMRKIOZSRIHHBQ-UHFFFAOYSA-N -1 1 422.510 4.036 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCC2CC2)cc1 ZINC000026206142 847102849 /nfs/dbraw/zinc/10/28/49/847102849.db2.gz DOPOULVFSHXQIY-UHFFFAOYSA-N -1 1 400.544 4.233 20 0 HIADMM O=C(Nc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1Cl)c1cccs1 ZINC000026254446 847113332 /nfs/dbraw/zinc/11/33/32/847113332.db2.gz CFFXEGNWAFTJBB-UHFFFAOYSA-N -1 1 415.784 4.043 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)cc2C[C@@H]1C ZINC000026545452 847166657 /nfs/dbraw/zinc/16/66/57/847166657.db2.gz MAGITAWWZQTHBS-NSHDSACASA-N -1 1 412.483 4.100 20 0 HIADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000026548203 847167820 /nfs/dbraw/zinc/16/78/20/847167820.db2.gz CTWOTTDFVABPQV-UHFFFAOYSA-N -1 1 418.858 4.371 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccs3)ccc2C)cc1 ZINC000026565878 847169897 /nfs/dbraw/zinc/16/98/97/847169897.db2.gz WZEDRQVBTXJZSD-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc4c[nH]nc43)cc2)cc1C ZINC000026873312 847212171 /nfs/dbraw/zinc/21/21/71/847212171.db2.gz MZAWRIOPIYHWIL-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000026881751 847214734 /nfs/dbraw/zinc/21/47/34/847214734.db2.gz BHUPVHPXUJPKFU-QMMMGPOBSA-N -1 1 413.120 4.258 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)C1 ZINC000027155285 847256905 /nfs/dbraw/zinc/25/69/05/847256905.db2.gz YVCGOKMOJFBLMM-GOSISDBHSA-N -1 1 400.544 4.366 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccccc1 ZINC000027177694 847263856 /nfs/dbraw/zinc/26/38/56/847263856.db2.gz YAZAQLBNHRHPRT-UHFFFAOYSA-N -1 1 402.422 4.042 20 0 HIADMM O=C([N-]NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cc(F)ccc1F ZINC000027749881 847346960 /nfs/dbraw/zinc/34/69/60/847346960.db2.gz LGUIKTVRHBEIRE-UHFFFAOYSA-N -1 1 403.388 4.255 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000028490067 847425473 /nfs/dbraw/zinc/42/54/73/847425473.db2.gz SBLWWIKOPAFCQH-LLVKDONJSA-N -1 1 401.315 4.323 20 0 HIADMM O=C(Cc1ccc(F)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000028492383 847427571 /nfs/dbraw/zinc/42/75/71/847427571.db2.gz FGIOIOWBSLZOTR-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000028494812 847427748 /nfs/dbraw/zinc/42/77/48/847427748.db2.gz QWJFMXWGSPSYOW-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000028494897 847428937 /nfs/dbraw/zinc/42/89/37/847428937.db2.gz JZIAHTXBZGMQNE-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)[N-]C(=O)c1ccccc1 ZINC000028670942 847442854 /nfs/dbraw/zinc/44/28/54/847442854.db2.gz DVQBEKYLGHWNFP-UHFFFAOYSA-N -1 1 416.458 4.077 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1 ZINC000028809250 847464040 /nfs/dbraw/zinc/46/40/40/847464040.db2.gz OJMYXTKKLFBUHQ-UHFFFAOYSA-N -1 1 420.581 4.093 20 0 HIADMM CC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1 ZINC000029021317 847494112 /nfs/dbraw/zinc/49/41/12/847494112.db2.gz WCUHUDGMAASWPL-JOCHJYFZSA-N -1 1 423.538 4.400 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC000029047956 847497294 /nfs/dbraw/zinc/49/72/94/847497294.db2.gz BUHHUZREOLBRNS-UHFFFAOYSA-N -1 1 404.532 4.051 20 0 HIADMM COc1cc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)c(OC)cc1Cl ZINC000029111212 847508061 /nfs/dbraw/zinc/50/80/61/847508061.db2.gz FNMOZOWKMNWJLA-UHFFFAOYSA-N -1 1 418.906 4.225 20 0 HIADMM O=C(NCc1ccc(Cl)s1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000029170441 847519264 /nfs/dbraw/zinc/51/92/64/847519264.db2.gz MHOWMSOKSJYCKT-UHFFFAOYSA-N -1 1 406.916 4.132 20 0 HIADMM Cc1ccsc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000029237098 847528420 /nfs/dbraw/zinc/52/84/20/847528420.db2.gz LKERGNPKPAKBFK-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c[nH]nc4c3)cc2)c1 ZINC000029373188 847553885 /nfs/dbraw/zinc/55/38/85/847553885.db2.gz YPJLGECVNBMEEI-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1nc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)sc1C ZINC000029582043 847583241 /nfs/dbraw/zinc/58/32/41/847583241.db2.gz YQMBNQBDESTMQD-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cn[nH]c2)cc1 ZINC000029692318 847600554 /nfs/dbraw/zinc/60/05/54/847600554.db2.gz BFWVQKBWCIIRKU-UHFFFAOYSA-N -1 1 412.515 4.069 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cn[nH]c3)cc2)c(C)c1C ZINC000029692283 847601212 /nfs/dbraw/zinc/60/12/12/847601212.db2.gz PILIMGXYEDSFPL-UHFFFAOYSA-N -1 1 412.515 4.005 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c(=O)[n-]1 ZINC000029842216 847630786 /nfs/dbraw/zinc/63/07/86/847630786.db2.gz AJHWTKMAQPQSQM-NRFANRHFSA-N -1 1 419.550 4.319 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC3CCCC3)c2)c1 ZINC000029915530 847649152 /nfs/dbraw/zinc/64/91/52/847649152.db2.gz NCIVHLXAGFUNJY-UHFFFAOYSA-N -1 1 406.935 4.369 20 0 HIADMM COc1cc(NC(=O)Cc2coc3ccc4ccccc4c23)ccc1[N-]S(C)(=O)=O ZINC000029966946 847660829 /nfs/dbraw/zinc/66/08/29/847660829.db2.gz IONZVWPSDQZKOH-UHFFFAOYSA-N -1 1 424.478 4.147 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)cc2)cc1 ZINC000029997902 847667761 /nfs/dbraw/zinc/66/77/61/847667761.db2.gz PNIZEBBUMYXDQB-YLJYHZDGSA-N -1 1 400.544 4.447 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)cc2)cc1 ZINC000030001001 847667823 /nfs/dbraw/zinc/66/78/23/847667823.db2.gz ZEPRNJJKHFBONU-VQIMIIECSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc2c(c1)CCCN2C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000030028929 847673867 /nfs/dbraw/zinc/67/38/67/847673867.db2.gz QCQYVAAUWNLVPB-UHFFFAOYSA-N -1 1 406.507 4.389 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)c([O-])c2)c1 ZINC000030035522 847675214 /nfs/dbraw/zinc/67/52/14/847675214.db2.gz NUMABUJEENPRHI-UHFFFAOYSA-N -1 1 410.401 4.053 20 0 HIADMM CCOCc1ccccc1CNC(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000030178830 847686788 /nfs/dbraw/zinc/68/67/88/847686788.db2.gz JYCHLXXCDZUHOC-UHFFFAOYSA-N -1 1 410.543 4.159 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1c(Cl)cc(Cl)cc1Cl ZINC000436474736 861818258 /nfs/dbraw/zinc/81/82/58/861818258.db2.gz FGYIQVIXEXJRJZ-UHFFFAOYSA-N -1 1 421.668 4.372 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(Cc1cccs1)C1CC1 ZINC000030303854 847700009 /nfs/dbraw/zinc/70/00/09/847700009.db2.gz KDNPNKJTFGRQHC-UHFFFAOYSA-N -1 1 412.536 4.354 20 0 HIADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436496019 861824598 /nfs/dbraw/zinc/82/45/98/861824598.db2.gz LLZPOXGZBYTNPU-GFCCVEGCSA-N -1 1 424.394 4.478 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(-n3ccnc3)cc2)cc1 ZINC000030608653 847744544 /nfs/dbraw/zinc/74/45/44/847744544.db2.gz MGZJWIONZPCZNC-UHFFFAOYSA-N -1 1 404.499 4.131 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 ZINC000436502875 861827402 /nfs/dbraw/zinc/82/74/02/861827402.db2.gz DYZDQJXOXFVLCK-UHFFFAOYSA-N -1 1 402.859 4.137 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)c1 ZINC000436509664 861830299 /nfs/dbraw/zinc/83/02/99/861830299.db2.gz SECHIHZBFFTQNA-UHFFFAOYSA-N -1 1 415.858 4.026 20 0 HIADMM O=C(c1cc(F)c([O-])c(F)c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000436533515 861839605 /nfs/dbraw/zinc/83/96/05/861839605.db2.gz IWHBMMJPCKRILK-UHFFFAOYSA-N -1 1 414.374 4.037 20 0 HIADMM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1C ZINC000031335567 847865622 /nfs/dbraw/zinc/86/56/22/847865622.db2.gz MQFYKWZSOJKHTI-UHFFFAOYSA-N -1 1 403.891 4.040 20 0 HIADMM CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1C ZINC000436530732 861838172 /nfs/dbraw/zinc/83/81/72/861838172.db2.gz FOCPOTSBPKSJQE-QFIPXVFZSA-N -1 1 416.477 4.300 20 0 HIADMM CCn1nccc1NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436532280 861838279 /nfs/dbraw/zinc/83/82/79/861838279.db2.gz GXPAKSHTWIVFCX-UHFFFAOYSA-N -1 1 419.268 4.420 20 0 HIADMM COc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1OCc1ccncc1 ZINC000436534166 861839017 /nfs/dbraw/zinc/83/90/17/861839017.db2.gz KCZDFWSXKNNPFZ-UHFFFAOYSA-N -1 1 414.845 4.289 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc2)cc1 ZINC000031407592 847878722 /nfs/dbraw/zinc/87/87/22/847878722.db2.gz DQSOZPBELFADAJ-INIZCTEOSA-N -1 1 418.559 4.393 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC3CCC3)c2)cc1C ZINC000031440777 847885185 /nfs/dbraw/zinc/88/51/85/847885185.db2.gz QUTCPYOGMBJVIX-UHFFFAOYSA-N -1 1 406.935 4.288 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(OCc2ccccn2)c1 ZINC000031454724 847888041 /nfs/dbraw/zinc/88/80/41/847888041.db2.gz ARCVTGLVMKDSNM-UHFFFAOYSA-N -1 1 423.523 4.282 20 0 HIADMM CN(Cc1ccon1)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436540918 861842023 /nfs/dbraw/zinc/84/20/23/861842023.db2.gz YIIZWJXYQCSVRG-UHFFFAOYSA-N -1 1 420.252 4.212 20 0 HIADMM CN(Cc1cccs1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000031519393 847899606 /nfs/dbraw/zinc/89/96/06/847899606.db2.gz OFUJIMKDRCSNAR-UHFFFAOYSA-N -1 1 422.478 4.099 20 0 HIADMM O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1ccc2ccccc2c1[O-] ZINC000436538830 861842360 /nfs/dbraw/zinc/84/23/60/861842360.db2.gz LOQCPYHOKRBMFQ-LJAQVGFWSA-N -1 1 409.507 4.225 20 0 HIADMM O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436539677 861842366 /nfs/dbraw/zinc/84/23/66/861842366.db2.gz LZXOGLSQGXHRLC-UHFFFAOYSA-N -1 1 408.285 4.079 20 0 HIADMM C[C@]1(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCOC1 ZINC000436544326 861844706 /nfs/dbraw/zinc/84/47/06/861844706.db2.gz IXXRVHHGIZMSMW-HXUWFJFHSA-N -1 1 423.296 4.108 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)C1 ZINC000031681362 847928614 /nfs/dbraw/zinc/92/86/14/847928614.db2.gz LRMGVNWJUHWREX-SFHVURJKSA-N -1 1 400.544 4.366 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000031681369 847928806 /nfs/dbraw/zinc/92/88/06/847928806.db2.gz GAAKMEPQVCJCAP-HNNXBMFYSA-N -1 1 406.935 4.403 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)C1 ZINC000031681346 847929015 /nfs/dbraw/zinc/92/90/15/847929015.db2.gz KBNLZMXMNPTLJA-SFHVURJKSA-N -1 1 400.544 4.366 20 0 HIADMM CC[C@H]1COCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436546883 861845386 /nfs/dbraw/zinc/84/53/86/861845386.db2.gz HLTRXYWCLLIGHM-AWEZNQCLSA-N -1 1 423.296 4.202 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(C)(C)C)cc2)cc1 ZINC000031759220 847944216 /nfs/dbraw/zinc/94/42/16/847944216.db2.gz HTFGFDQTOSKZTB-UHFFFAOYSA-N -1 1 404.532 4.052 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)CCO4)cc2)c1C ZINC000032018098 847978489 /nfs/dbraw/zinc/97/84/89/847978489.db2.gz SYYDFASCCVTWMQ-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCC2CCCC2)cc1 ZINC000032005198 847978713 /nfs/dbraw/zinc/97/87/13/847978713.db2.gz HDOQQRLUIGCIMM-UHFFFAOYSA-N -1 1 400.544 4.496 20 0 HIADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436559938 861851451 /nfs/dbraw/zinc/85/14/51/861851451.db2.gz AVNMZUVGZSFGHT-OAHLLOKOSA-N -1 1 409.873 4.085 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000436561586 861852372 /nfs/dbraw/zinc/85/23/72/861852372.db2.gz JYXBRBSVSSNNEQ-UHFFFAOYSA-N -1 1 412.917 4.089 20 0 HIADMM Cc1ccc(NC(=O)CC2CC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000032150532 847989053 /nfs/dbraw/zinc/98/90/53/847989053.db2.gz UHQGDJGTKMSQEV-UHFFFAOYSA-N -1 1 423.332 4.297 20 0 HIADMM CC(C)c1ccc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c([O-])c1 ZINC000436563469 861853634 /nfs/dbraw/zinc/85/36/34/861853634.db2.gz MANRAPZCVDKBHM-OAHLLOKOSA-N -1 1 400.906 4.391 20 0 HIADMM Cc1csc([C@@H](C)NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436565914 861854189 /nfs/dbraw/zinc/85/41/89/861854189.db2.gz SGCWEMYWTXIZJK-LLVKDONJSA-N -1 1 417.437 4.179 20 0 HIADMM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000032332513 848006977 /nfs/dbraw/zinc/00/69/77/848006977.db2.gz BBTWKCCYWZCIEL-UHFFFAOYSA-N -1 1 423.538 4.243 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2CCSC2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436574525 861856767 /nfs/dbraw/zinc/85/67/67/861856767.db2.gz MIORNKCWOCWARA-GFCCVEGCSA-N -1 1 411.310 4.187 20 0 HIADMM CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1ccc2ccccc2c1[O-] ZINC000436574329 861856778 /nfs/dbraw/zinc/85/67/78/861856778.db2.gz KQQOZDQHZKKJKV-OAHLLOKOSA-N -1 1 419.399 4.076 20 0 HIADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)c1 ZINC000032589975 848050680 /nfs/dbraw/zinc/05/06/80/848050680.db2.gz SVFFCEPRDVYPPC-UHFFFAOYSA-N -1 1 413.499 4.179 20 0 HIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000032591615 848050722 /nfs/dbraw/zinc/05/07/22/848050722.db2.gz TWLSAHGZNUVOSJ-UHFFFAOYSA-N -1 1 418.849 4.337 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(COc4cccc(F)c4)c3)cc2o1 ZINC000032596875 848051998 /nfs/dbraw/zinc/05/19/98/848051998.db2.gz NWVSQBAKQZQWFG-UHFFFAOYSA-N -1 1 414.414 4.052 20 0 HIADMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000032631258 848056554 /nfs/dbraw/zinc/05/65/54/848056554.db2.gz MIEKRHKEOILFEW-HXUWFJFHSA-N -1 1 407.451 4.360 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)cc1 ZINC000032631260 848056628 /nfs/dbraw/zinc/05/66/28/848056628.db2.gz IKYMEQZLXZGGGL-JOCHJYFZSA-N -1 1 405.479 4.101 20 0 HIADMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000032631478 848056771 /nfs/dbraw/zinc/05/67/71/848056771.db2.gz NFFJZJXSCZUFKF-FQEVSTJZSA-N -1 1 407.451 4.360 20 0 HIADMM COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436586110 861860455 /nfs/dbraw/zinc/86/04/55/861860455.db2.gz UWUHORLUGANMLH-ZHRRBRCNSA-N -1 1 418.493 4.036 20 0 HIADMM O=C(N[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1)c1ccc2ccccc2c1 ZINC000436587648 861860649 /nfs/dbraw/zinc/86/06/49/861860649.db2.gz PWHWTUAKYDCARC-LJQANCHMSA-N -1 1 408.885 4.233 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])C1CCC1 ZINC000436591348 861861203 /nfs/dbraw/zinc/86/12/03/861861203.db2.gz PVZICAJETAKNSY-UHFFFAOYSA-N -1 1 403.276 4.032 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(CCOc2ccccc2Cl)CC1 ZINC000436596615 861863315 /nfs/dbraw/zinc/86/33/15/861863315.db2.gz QNNUKFLJOQRELX-UHFFFAOYSA-N -1 1 410.901 4.036 20 0 HIADMM O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000436592786 861862363 /nfs/dbraw/zinc/86/23/63/861862363.db2.gz YWDXUCDNNBNTKP-UHFFFAOYSA-N -1 1 411.260 4.329 20 0 HIADMM C[C@H]1CCC[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000033097977 848108424 /nfs/dbraw/zinc/10/84/24/848108424.db2.gz VFOVZJFKSZDYJF-YOEHRIQHSA-N -1 1 422.497 4.416 20 0 HIADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000033098176 848108538 /nfs/dbraw/zinc/10/85/38/848108538.db2.gz TVRRTMBBRUDVNW-BEFAXECRSA-N -1 1 404.507 4.277 20 0 HIADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000033097976 848108610 /nfs/dbraw/zinc/10/86/10/848108610.db2.gz VFOVZJFKSZDYJF-PBHICJAKSA-N -1 1 422.497 4.416 20 0 HIADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000033098228 848109296 /nfs/dbraw/zinc/10/92/96/848109296.db2.gz DOYYDSFEGMDFTB-BEFAXECRSA-N -1 1 404.507 4.277 20 0 HIADMM CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436604308 861867032 /nfs/dbraw/zinc/86/70/32/861867032.db2.gz NVDZMFZEETUMRU-NFBKMPQASA-N -1 1 416.521 4.288 20 0 HIADMM C[C@@H]1CCC[C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000033181504 848120814 /nfs/dbraw/zinc/12/08/14/848120814.db2.gz VURMRDRUPCRJKO-HIFRSBDPSA-N -1 1 408.470 4.074 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)Cc3cccs3)c2)cc1 ZINC000033203715 848124054 /nfs/dbraw/zinc/12/40/54/848124054.db2.gz GYBIOWOSYZCUJP-MRXNPFEDSA-N -1 1 414.552 4.218 20 0 HIADMM C=Cc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436638601 861878653 /nfs/dbraw/zinc/87/86/53/861878653.db2.gz GFSMWHSSGJGXLI-HSZRJFAPSA-N -1 1 414.505 4.152 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)CCc2ccco2)cc1 ZINC000041820038 848254479 /nfs/dbraw/zinc/25/44/79/848254479.db2.gz NHEYNHMOQPMXIG-OAHLLOKOSA-N -1 1 414.531 4.127 20 0 HIADMM O=C(Nc1cc2c(cn1)CCCC2)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436653264 861883248 /nfs/dbraw/zinc/88/32/48/861883248.db2.gz AUVRDZFOTKTWBP-OAQYLSRUSA-N -1 1 415.493 4.063 20 0 HIADMM Cc1ccc2c(c1)CCN(C(=O)[C@H]1CCCN1C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000436662767 861886862 /nfs/dbraw/zinc/88/68/62/861886862.db2.gz HLDMZBYHPKBAED-HSZRJFAPSA-N -1 1 414.505 4.043 20 0 HIADMM C[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1nc2ccccc2n1C(F)F ZINC000436665450 861887751 /nfs/dbraw/zinc/88/77/51/861887751.db2.gz OFCZMRSXYBBPFC-SECBINFHSA-N -1 1 410.218 4.391 20 0 HIADMM Cc1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436673741 861890028 /nfs/dbraw/zinc/89/00/28/861890028.db2.gz LKVDDKRXOMSRRF-FQEVSTJZSA-N -1 1 408.523 4.179 20 0 HIADMM O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)C(=O)c1ccc([O-])cc1 ZINC000436692219 861895399 /nfs/dbraw/zinc/89/53/99/861895399.db2.gz XBNOPMJKYPEPFV-UHFFFAOYSA-N -1 1 413.227 4.163 20 0 HIADMM C[C@@H]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])C2)C1 ZINC000436716504 861903248 /nfs/dbraw/zinc/90/32/48/861903248.db2.gz QAXGZWIAJCPDAA-SAQVGAHLSA-N -1 1 406.526 4.189 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000436719292 861906359 /nfs/dbraw/zinc/90/63/59/861906359.db2.gz ZKEGFHAPCDSPLJ-CYBMUJFWSA-N -1 1 401.825 4.255 20 0 HIADMM Cc1cc(F)ccc1CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436728062 861913238 /nfs/dbraw/zinc/91/32/38/861913238.db2.gz HINWULIPSFAAPK-JOCHJYFZSA-N -1 1 420.484 4.256 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2CC[C@@H](F)C2)c([O-])c1)c1cccc(Br)c1 ZINC000436743010 861926398 /nfs/dbraw/zinc/92/63/98/861926398.db2.gz GJISEQFHWIUPTN-KGLIPLIRSA-N -1 1 421.266 4.027 20 0 HIADMM O=c1[nH]c(-c2ccc(I)c([O-])c2)nc2sc3c(c21)CCCC3 ZINC000436749730 861930239 /nfs/dbraw/zinc/93/02/39/861930239.db2.gz BVMQZXGMEJJTTR-UHFFFAOYSA-N -1 1 424.263 4.253 20 0 HIADMM COc1cc(F)ccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000045442260 848680942 /nfs/dbraw/zinc/68/09/42/848680942.db2.gz UMZFQQRQTUMGFV-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM O=C([N-]NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1cc(F)ccc1F ZINC000045632152 848705929 /nfs/dbraw/zinc/70/59/29/848705929.db2.gz JEOBWMBEVYAPMU-UHFFFAOYSA-N -1 1 416.811 4.272 20 0 HIADMM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436752981 861938753 /nfs/dbraw/zinc/93/87/53/861938753.db2.gz ULDOPARXNMOYOK-UHFFFAOYSA-N -1 1 415.433 4.377 20 0 HIADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])c(OC)c1 ZINC000436755923 861940668 /nfs/dbraw/zinc/94/06/68/861940668.db2.gz OVDLWSLWKVSOHY-MRXNPFEDSA-N -1 1 406.276 4.149 20 0 HIADMM CCn1cc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])cn1 ZINC000436760633 861951238 /nfs/dbraw/zinc/95/12/38/861951238.db2.gz QYUJKLJBVJDSSS-UHFFFAOYSA-N -1 1 419.268 4.420 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000436763686 861954883 /nfs/dbraw/zinc/95/48/83/861954883.db2.gz MCRLVMUZQJROPY-INIZCTEOSA-N -1 1 417.330 4.226 20 0 HIADMM CCOc1ccc(-c2nc(C)c(C(=O)[N-]NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000046864498 848950066 /nfs/dbraw/zinc/95/00/66/848950066.db2.gz YPFRXJZNMMKYGW-UHFFFAOYSA-N -1 1 415.902 4.245 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1 ZINC000047190232 849001924 /nfs/dbraw/zinc/00/19/24/849001924.db2.gz LDNAUOFTJJGDDJ-SJLPKXTDSA-N -1 1 402.564 4.018 20 0 HIADMM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000047281655 849019615 /nfs/dbraw/zinc/01/96/15/849019615.db2.gz MCUXDAMLRKOUBY-KRWDZBQOSA-N -1 1 406.916 4.060 20 0 HIADMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000047671541 849091054 /nfs/dbraw/zinc/09/10/54/849091054.db2.gz UPZUXTASLKDNPU-MRXNPFEDSA-N -1 1 410.423 4.002 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nccn2Cc2ccccc2)cc1 ZINC000047708975 849094819 /nfs/dbraw/zinc/09/48/19/849094819.db2.gz IVIIVRTVZKXHGQ-UHFFFAOYSA-N -1 1 418.526 4.190 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCCO1 ZINC000436786331 861979692 /nfs/dbraw/zinc/97/96/92/861979692.db2.gz XKLZQCJNVOLZJZ-GFCCVEGCSA-N -1 1 423.296 4.202 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Br)ccc2OC(C)C)c1 ZINC000436787486 861980096 /nfs/dbraw/zinc/98/00/96/861980096.db2.gz PGPXEMUYANSRAH-UHFFFAOYSA-N -1 1 407.264 4.153 20 0 HIADMM CCS(=O)(=O)c1ccc2oc(/C=C/c3ccc([O-])c(Br)c3)nc2c1 ZINC000436805011 861993336 /nfs/dbraw/zinc/99/33/36/861993336.db2.gz CMZGEBSOEVFALN-XBXARRHUSA-N -1 1 408.273 4.260 20 0 HIADMM COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436807362 861997319 /nfs/dbraw/zinc/99/73/19/861997319.db2.gz KSQNYMRFILBHMG-UHFFFAOYSA-N -1 1 404.713 4.158 20 0 HIADMM N#C[C@H](C(=O)CSCc1cccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817186 849270783 /nfs/dbraw/zinc/27/07/83/849270783.db2.gz UWDPNANPLAFBJQ-CYBMUJFWSA-N -1 1 415.565 4.035 20 0 HIADMM N#C[C@H](C(=O)CCc1ccc(Cl)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817377 849271793 /nfs/dbraw/zinc/27/17/93/849271793.db2.gz FZSROELLMWWIPR-OAHLLOKOSA-N -1 1 411.914 4.326 20 0 HIADMM Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436822051 862004894 /nfs/dbraw/zinc/00/48/94/862004894.db2.gz ZTRFJVLAFQEZQA-QGZVFWFLSA-N -1 1 413.543 4.278 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)c1 ZINC000050178399 849361147 /nfs/dbraw/zinc/36/11/47/849361147.db2.gz KXXPPJPFJHMTAA-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(ccn4CC(C)C)c3)ccc21 ZINC000050532966 849392061 /nfs/dbraw/zinc/39/20/61/849392061.db2.gz HHVMSBZSKZVAPP-UHFFFAOYSA-N -1 1 411.527 4.007 20 0 HIADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000050900909 849420225 /nfs/dbraw/zinc/42/02/25/849420225.db2.gz NXSNBWYZQJQOPB-WMZOPIPTSA-N -1 1 407.628 4.038 20 0 HIADMM Cn1c(Cc2csc(NC(=O)CCCc3ccc(Cl)cc3)n2)n[n-]c1=S ZINC000052357328 849573615 /nfs/dbraw/zinc/57/36/15/849573615.db2.gz XCCBRRXQCLOUFK-UHFFFAOYSA-N -1 1 407.952 4.140 20 0 HIADMM CCc1nc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000436864798 862043734 /nfs/dbraw/zinc/04/37/34/862043734.db2.gz PFUQBIUMAQKVOJ-AUUYWEPGSA-N -1 1 423.538 4.046 20 0 HIADMM CCc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436869539 862045430 /nfs/dbraw/zinc/04/54/30/862045430.db2.gz BBRPNGPIXCIKEC-QHCPKHFHSA-N -1 1 416.521 4.071 20 0 HIADMM CCOc1cc(-c2noc(Cn3c(C)nc4cc(F)c(F)cc43)n2)cc(Cl)c1[O-] ZINC000436875155 862052785 /nfs/dbraw/zinc/05/27/85/862052785.db2.gz XAAVPKWHTZMQME-UHFFFAOYSA-N -1 1 420.803 4.479 20 0 HIADMM O=C(COc1ccccc1-c1nc(-c2ccc([O-])c(F)c2)no1)Nc1ccccc1F ZINC000436875678 862053105 /nfs/dbraw/zinc/05/31/05/862053105.db2.gz WAALRRFSOSSGPU-UHFFFAOYSA-N -1 1 423.375 4.405 20 0 HIADMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1F ZINC000053819610 849762769 /nfs/dbraw/zinc/76/27/69/849762769.db2.gz HZIXUOOFFNKAEI-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(C3(c4ccccc4Br)CC3)no2)c1 ZINC000436883579 862062449 /nfs/dbraw/zinc/06/24/49/862062449.db2.gz BGXUTCGJSFDBGY-UHFFFAOYSA-N -1 1 414.259 4.243 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3nc4cc(Cl)ccc4s3)no2)c1 ZINC000436886280 862063964 /nfs/dbraw/zinc/06/39/64/862063964.db2.gz GXCPKALHLJFZGO-UHFFFAOYSA-N -1 1 400.847 4.255 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000054402433 849860183 /nfs/dbraw/zinc/86/01/83/849860183.db2.gz UKCFFWJBGPMROK-GFCCVEGCSA-N -1 1 414.918 4.477 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@@H](C)CCc1ccccc1 ZINC000054420294 849863733 /nfs/dbraw/zinc/86/37/33/849863733.db2.gz GKFPQZBKUKVNGJ-HNNXBMFYSA-N -1 1 408.527 4.084 20 0 HIADMM O=C(N[C@H]1CCCOc2ccc(F)cc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000054784039 849922352 /nfs/dbraw/zinc/92/23/52/849922352.db2.gz UUECLKNRMRUXQG-FQEVSTJZSA-N -1 1 412.461 4.050 20 0 HIADMM O=C(Nc1ccc(-c2nc(-c3ccc(O)cc3)no2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436896013 862071179 /nfs/dbraw/zinc/07/11/79/862071179.db2.gz ZRMGFIWTWWBXNJ-UHFFFAOYSA-N -1 1 409.348 4.345 20 0 HIADMM CO[C@H]1CC[C@@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000436896679 862072477 /nfs/dbraw/zinc/07/24/77/862072477.db2.gz TVXBXXZVIOSNDH-OCCSQVGLSA-N -1 1 423.296 4.249 20 0 HIADMM Cc1ccc(-c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)cn1 ZINC000436900335 862075630 /nfs/dbraw/zinc/07/56/30/862075630.db2.gz CCNCKLMLZAELIP-UHFFFAOYSA-N -1 1 408.364 4.343 20 0 HIADMM CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000055217308 849988875 /nfs/dbraw/zinc/98/88/75/849988875.db2.gz DWAALGSKGXIPPF-UHFFFAOYSA-N -1 1 410.420 4.237 20 0 HIADMM CN(C)[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000436902512 862078554 /nfs/dbraw/zinc/07/85/54/862078554.db2.gz QFGFIJIFXRNPLG-OAHLLOKOSA-N -1 1 404.791 4.236 20 0 HIADMM O=S(=O)(c1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cc1)N1CCCC1 ZINC000436911088 862089225 /nfs/dbraw/zinc/08/92/25/862089225.db2.gz SFMIOSDMISUAPN-UHFFFAOYSA-N -1 1 421.478 4.047 20 0 HIADMM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000055579403 850060736 /nfs/dbraw/zinc/06/07/36/850060736.db2.gz RURADBYMIUOCQQ-UHFFFAOYSA-N -1 1 407.948 4.153 20 0 HIADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(C)C)cc1 ZINC000055587427 850064397 /nfs/dbraw/zinc/06/43/97/850064397.db2.gz BGQBWXGMVYMPOD-UHFFFAOYSA-N -1 1 402.560 4.413 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c2ccccc21)C(C)=O ZINC000055587852 850066080 /nfs/dbraw/zinc/06/60/80/850066080.db2.gz OSYUUXOQHLJQOM-UHFFFAOYSA-N -1 1 412.511 4.018 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)c3ccoc3C)c2)c(C)s1 ZINC000055592740 850067789 /nfs/dbraw/zinc/06/77/89/850067789.db2.gz BDLMHSGYFBOGPI-UHFFFAOYSA-N -1 1 408.476 4.459 20 0 HIADMM Cc1cccc(-c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)n1 ZINC000436909869 862087205 /nfs/dbraw/zinc/08/72/05/862087205.db2.gz MGKGRIWDZQUDLU-UHFFFAOYSA-N -1 1 408.364 4.343 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C(F)(F)F)cc1OCC ZINC000055621413 850080484 /nfs/dbraw/zinc/08/04/84/850080484.db2.gz SRCAQMVQDGHFFW-UHFFFAOYSA-N -1 1 419.421 4.312 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)cc1 ZINC000055632171 850083967 /nfs/dbraw/zinc/08/39/67/850083967.db2.gz KYBDRVOJBWCULL-UHFFFAOYSA-N -1 1 419.396 4.107 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000055638648 850087088 /nfs/dbraw/zinc/08/70/88/850087088.db2.gz URMHKHBKHOZIIX-UHFFFAOYSA-N -1 1 402.394 4.125 20 0 HIADMM O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000055646152 850089566 /nfs/dbraw/zinc/08/95/66/850089566.db2.gz NRQNMBFBVPACIH-UHFFFAOYSA-N -1 1 408.885 4.187 20 0 HIADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000055658045 850101698 /nfs/dbraw/zinc/10/16/98/850101698.db2.gz AUPJZCJFHOPWRL-OAQYLSRUSA-N -1 1 410.470 4.044 20 0 HIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)c1C ZINC000055674239 850105726 /nfs/dbraw/zinc/10/57/26/850105726.db2.gz VDPQIPGIARSUQS-UHFFFAOYSA-N -1 1 411.321 4.134 20 0 HIADMM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436917416 862097870 /nfs/dbraw/zinc/09/78/70/862097870.db2.gz ZCDRQVKANKKYAE-SNVBAGLBSA-N -1 1 406.870 4.337 20 0 HIADMM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436917416 862097880 /nfs/dbraw/zinc/09/78/80/862097880.db2.gz ZCDRQVKANKKYAE-SNVBAGLBSA-N -1 1 406.870 4.337 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@H](C3CC3)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436924342 862104854 /nfs/dbraw/zinc/10/48/54/862104854.db2.gz WXACUYNPNSHJPL-AWEZNQCLSA-N -1 1 400.425 4.185 20 0 HIADMM Cc1ncsc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000056061953 850236255 /nfs/dbraw/zinc/23/62/55/850236255.db2.gz UNSDZBZTMOKEDM-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N(CCc1ccccc1)Cc1cccnc1 ZINC000436927555 862108405 /nfs/dbraw/zinc/10/84/05/862108405.db2.gz SDMYKMSGDJFBTE-UHFFFAOYSA-N -1 1 411.299 4.435 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000436931355 862110026 /nfs/dbraw/zinc/11/00/26/862110026.db2.gz BIXUXQVTDYIKLL-UHFFFAOYSA-N -1 1 419.250 4.455 20 0 HIADMM COc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000056285866 850312743 /nfs/dbraw/zinc/31/27/43/850312743.db2.gz KIPINKWLHYBPKK-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CCCCOc1cccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436951485 862127789 /nfs/dbraw/zinc/12/77/89/862127789.db2.gz SEDVIYWIDKFYQV-UHFFFAOYSA-N -1 1 409.442 4.372 20 0 HIADMM CO[C@](C)(c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1)C1CC1 ZINC000436954912 862135911 /nfs/dbraw/zinc/13/59/11/862135911.db2.gz IUVBGLYIHYGZKU-NRFANRHFSA-N -1 1 415.396 4.244 20 0 HIADMM O=C(/C=C/c1ccsc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931612 850518589 /nfs/dbraw/zinc/51/85/89/850518589.db2.gz AOWCRYFBQWSFCJ-BJMVGYQFSA-N -1 1 402.472 4.340 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC000057037313 850537558 /nfs/dbraw/zinc/53/75/58/850537558.db2.gz CQQYOVHWVQYSPV-UHFFFAOYSA-N -1 1 410.543 4.410 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)c2ccccc12 ZINC000057117078 850550319 /nfs/dbraw/zinc/55/03/19/850550319.db2.gz SHVJXNPDACLSSU-UHFFFAOYSA-N -1 1 414.483 4.006 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c2ccccc12 ZINC000057117205 850550496 /nfs/dbraw/zinc/55/04/96/850550496.db2.gz NHAKOTBUNVZZKS-UHFFFAOYSA-N -1 1 410.495 4.388 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000057121341 850552363 /nfs/dbraw/zinc/55/23/63/850552363.db2.gz BNYSPZBEJHKBKJ-GFCCVEGCSA-N -1 1 400.422 4.035 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000057281907 850600188 /nfs/dbraw/zinc/60/01/88/850600188.db2.gz ASTRZBTUCBENSI-AWEZNQCLSA-N -1 1 411.487 4.092 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccncc3)c2)cc1 ZINC000057379216 850620542 /nfs/dbraw/zinc/62/05/42/850620542.db2.gz RDLGIGNUCBOJLT-UHFFFAOYSA-N -1 1 423.538 4.155 20 0 HIADMM Cc1cc(I)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000057432195 850636646 /nfs/dbraw/zinc/63/66/46/850636646.db2.gz NKPFRRSKZAMOCJ-UHFFFAOYSA-N -1 1 407.660 4.054 20 0 HIADMM CCN(C(=O)c1cc(I)ccc1[O-])[C@H](C)Cc1ccsc1 ZINC000436978078 862156509 /nfs/dbraw/zinc/15/65/09/862156509.db2.gz GKFJBMXEMJSSRU-LLVKDONJSA-N -1 1 415.296 4.152 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(OCc2cccnc2)cc1 ZINC000057755570 850707466 /nfs/dbraw/zinc/70/74/66/850707466.db2.gz LHBGMHWGXKQYJN-CYBMUJFWSA-N -1 1 422.428 4.117 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(OCc2cccnc2)cc1 ZINC000057755566 850707982 /nfs/dbraw/zinc/70/79/82/850707982.db2.gz LHBGMHWGXKQYJN-ZDUSSCGKSA-N -1 1 422.428 4.117 20 0 HIADMM COc1cccc(Cn2ccc3ccc(NC(=O)C(=O)c4ccc([O-])cc4)cc32)c1 ZINC000436983126 862162939 /nfs/dbraw/zinc/16/29/39/862162939.db2.gz VQRBYEBGAPCIGV-UHFFFAOYSA-N -1 1 400.434 4.225 20 0 HIADMM CN(Cc1ccc(Br)cc1)Cn1c(=S)[n-]nc1Cc1cccs1 ZINC000058204945 850781206 /nfs/dbraw/zinc/78/12/06/850781206.db2.gz GXXFCXBYUXUHSA-UHFFFAOYSA-N -1 1 409.378 4.445 20 0 HIADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000058204759 850781296 /nfs/dbraw/zinc/78/12/96/850781296.db2.gz KXICKBASWWLMOH-UHFFFAOYSA-N -1 1 405.980 4.026 20 0 HIADMM Cc1ccc(NC(=O)c2c(F)cccc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000058255677 850787810 /nfs/dbraw/zinc/78/78/10/850787810.db2.gz ZCWDLYJXXHIDCG-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000058251606 850788160 /nfs/dbraw/zinc/78/81/60/850788160.db2.gz NQCJOXNOHPGKPZ-QHCPKHFHSA-N -1 1 416.525 4.121 20 0 HIADMM CCOc1c(Cl)cc(-c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cc1OC ZINC000436997726 862171511 /nfs/dbraw/zinc/17/15/11/862171511.db2.gz HNHGORNGSQZIIF-UHFFFAOYSA-N -1 1 403.822 4.128 20 0 HIADMM COc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058488301 850837671 /nfs/dbraw/zinc/83/76/71/850837671.db2.gz NTCRNLPWLVQSGO-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM Cn1c(Cc2csc(NC(=O)c3cc(Cl)ccc3Cl)n2)n[n-]c1=S ZINC000058679032 850887018 /nfs/dbraw/zinc/88/70/18/850887018.db2.gz IPGIDVGQUKDUCK-UHFFFAOYSA-N -1 1 400.316 4.084 20 0 HIADMM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1cn(-c2ccccc2Cl)nn1 ZINC000058706424 850897650 /nfs/dbraw/zinc/89/76/50/850897650.db2.gz QJMVKOVFLWVAHF-UHFFFAOYSA-N -1 1 417.281 4.345 20 0 HIADMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1N(C)C ZINC000058745118 850911171 /nfs/dbraw/zinc/91/11/71/850911171.db2.gz XLFGSPZBFWOOGH-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4ccc(F)cc43)cc2)cc1 ZINC000059006986 850978770 /nfs/dbraw/zinc/97/87/70/850978770.db2.gz LBBLWJIHQNUSLI-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000059259747 850989181 /nfs/dbraw/zinc/98/91/81/850989181.db2.gz FSNXBKCBKFDIDY-UHFFFAOYSA-N -1 1 421.540 4.207 20 0 HIADMM O=C(NCc1ccccc1)C(=Cc1ccc([O-])c(Cl)c1)C(=O)NCc1ccccc1 ZINC000060132506 851044617 /nfs/dbraw/zinc/04/46/17/851044617.db2.gz MHDAPWPQLNUKCG-UHFFFAOYSA-N -1 1 420.896 4.062 20 0 HIADMM COc1cc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)ccc1C ZINC000060412104 851090430 /nfs/dbraw/zinc/09/04/30/851090430.db2.gz CXKAEUHZICXKCY-UHFFFAOYSA-N -1 1 424.522 4.294 20 0 HIADMM CCc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000060426491 851095251 /nfs/dbraw/zinc/09/52/51/851095251.db2.gz XUPUAZCHFYRXBH-UHFFFAOYSA-N -1 1 400.525 4.041 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000060520626 851132476 /nfs/dbraw/zinc/13/24/76/851132476.db2.gz TVTMXDRVJKRURX-CYBMUJFWSA-N -1 1 423.391 4.187 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Cl)c2N(C)C)cc1 ZINC000061404966 851368175 /nfs/dbraw/zinc/36/81/75/851368175.db2.gz SDZARGUMSKIRGA-UHFFFAOYSA-N -1 1 401.923 4.274 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C(=O)NC(C)C)cc2C)cc1 ZINC000061412851 851369097 /nfs/dbraw/zinc/36/90/97/851369097.db2.gz BAXNOEFYYQPURZ-UHFFFAOYSA-N -1 1 423.542 4.001 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2CC(C)(C)C)cc1 ZINC000061634391 851417261 /nfs/dbraw/zinc/41/72/61/851417261.db2.gz LKARRAVSMVHDMH-INIZCTEOSA-N -1 1 402.564 4.434 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(Cl)c2cccnc12 ZINC000062294364 851525708 /nfs/dbraw/zinc/52/57/08/851525708.db2.gz YXIFSWKDYLJVSQ-UHFFFAOYSA-N -1 1 404.875 4.007 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000063172809 851625729 /nfs/dbraw/zinc/62/57/29/851625729.db2.gz WLEPPOZBPAEWJA-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(OCC)c2)c1C ZINC000063181266 851629149 /nfs/dbraw/zinc/62/91/49/851629149.db2.gz HNRLWHCZSPYPML-UHFFFAOYSA-N -1 1 420.531 4.332 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](C)CC3)c2)c1 ZINC000063275321 851648805 /nfs/dbraw/zinc/64/88/05/851648805.db2.gz XOQNVYDEXVQLSY-MRXNPFEDSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1-c1cccs1 ZINC000063474262 851699723 /nfs/dbraw/zinc/69/97/23/851699723.db2.gz OWVKYXSJASZTQG-UHFFFAOYSA-N -1 1 416.506 4.440 20 0 HIADMM CC[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CCS1 ZINC000437076734 862273450 /nfs/dbraw/zinc/27/34/50/862273450.db2.gz MCNVILZIMMHHNV-LJQANCHMSA-N -1 1 418.584 4.072 20 0 HIADMM CCCOc1ccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)cc1OCCC ZINC000063618339 851726062 /nfs/dbraw/zinc/72/60/62/851726062.db2.gz SMLWBPBWPFTHSK-UHFFFAOYSA-N -1 1 420.531 4.196 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H]3C(C)C)c2)c1 ZINC000063815130 851770843 /nfs/dbraw/zinc/77/08/43/851770843.db2.gz IAZDVOXBVMWMQZ-HXUWFJFHSA-N -1 1 400.544 4.365 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CC3CCCC3)cc2)cc1 ZINC000064088969 851825657 /nfs/dbraw/zinc/82/56/57/851825657.db2.gz SHEQXEFOAHIWRA-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000064317209 851869219 /nfs/dbraw/zinc/86/92/19/851869219.db2.gz PDDHOGOLEDYLDG-QFIPXVFZSA-N -1 1 414.509 4.085 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@H]1C(C)C ZINC000064322801 851871214 /nfs/dbraw/zinc/87/12/14/851871214.db2.gz ASCLQFUDKNWBGF-FQEVSTJZSA-N -1 1 404.507 4.196 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1-c1ccccc1 ZINC000064381865 851883808 /nfs/dbraw/zinc/88/38/08/851883808.db2.gz AOBRCWPHHACHRP-UHFFFAOYSA-N -1 1 412.511 4.300 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000064476636 851908031 /nfs/dbraw/zinc/90/80/31/851908031.db2.gz CNESGCPPZVMALC-OAHLLOKOSA-N -1 1 404.557 4.224 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000064476275 851908111 /nfs/dbraw/zinc/90/81/11/851908111.db2.gz KMMAWUKOXFDYGB-UHFFFAOYSA-N -1 1 415.446 4.162 20 0 HIADMM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[N-]NC(=O)c1cccc2cccnc21 ZINC000064501767 851914683 /nfs/dbraw/zinc/91/46/83/851914683.db2.gz RPSMMMVFYNVYPL-UHFFFAOYSA-N -1 1 422.897 4.395 20 0 HIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937890 852026650 /nfs/dbraw/zinc/02/66/50/852026650.db2.gz GXNACJQPLZLCBB-UHFFFAOYSA-N -1 1 404.435 4.366 20 0 HIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1cccc(OC(F)(F)F)c1 ZINC000064938286 852027940 /nfs/dbraw/zinc/02/79/40/852027940.db2.gz ABAUEZYAZPVZQP-UHFFFAOYSA-N -1 1 401.406 4.313 20 0 HIADMM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000065085695 852059007 /nfs/dbraw/zinc/05/90/07/852059007.db2.gz BVIUMEJQBGTNOJ-UHFFFAOYSA-N -1 1 408.512 4.296 20 0 HIADMM Cc1occc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000065689625 852219598 /nfs/dbraw/zinc/21/95/98/852219598.db2.gz HKTJARFCPIRITF-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c(=O)[n-]1 ZINC000065695855 852222175 /nfs/dbraw/zinc/22/21/75/852222175.db2.gz WUBDZMYWMBJUSZ-UHFFFAOYSA-N -1 1 421.950 4.346 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000065753722 852245858 /nfs/dbraw/zinc/24/58/58/852245858.db2.gz HFOCIKNFITTZFH-UHFFFAOYSA-N -1 1 405.679 4.488 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065924554 852317086 /nfs/dbraw/zinc/31/70/86/852317086.db2.gz QUCJNISWUCSQBJ-JOIKAWEESA-N -1 1 410.539 4.138 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc2ccccc2n1Cc1ccccc1F ZINC000071949419 852442724 /nfs/dbraw/zinc/44/27/24/852442724.db2.gz LLIAPBXDIIPIFK-UHFFFAOYSA-N -1 1 403.339 4.218 20 0 HIADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000072022069 852470036 /nfs/dbraw/zinc/47/00/36/852470036.db2.gz HVOMUXXQXBNORI-OAQYLSRUSA-N -1 1 410.470 4.044 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCc4cc(F)ccc43)cc2)cc1 ZINC000072022067 852470074 /nfs/dbraw/zinc/47/00/74/852470074.db2.gz ONOPOOLGCNBTDK-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM COc1cc(NC(=O)C2(c3cccc(F)c3)CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000072028222 852472602 /nfs/dbraw/zinc/47/26/02/852472602.db2.gz DYLBGZCPDFGVKK-UHFFFAOYSA-N -1 1 420.506 4.046 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000078613008 852522273 /nfs/dbraw/zinc/52/22/73/852522273.db2.gz XRCURLCODKSDTJ-UHFFFAOYSA-N -1 1 413.776 4.316 20 0 HIADMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000097548778 852627157 /nfs/dbraw/zinc/62/71/57/852627157.db2.gz VRDNWNNSBNCQHW-UHFFFAOYSA-N -1 1 415.334 4.024 20 0 HIADMM CCn1c([C@H]2CCCN(C(=O)C[C@@H](c3ccccc3)C(F)(F)F)C2)n[n-]c1=S ZINC000097570151 852632390 /nfs/dbraw/zinc/63/23/90/852632390.db2.gz GBBISGYEJVAEHJ-GJZGRUSLSA-N -1 1 412.481 4.403 20 0 HIADMM CCOC(=O)C1=C(NC(=O)c2ccccc2OC(F)F)[N-]c2ccccc2N=C1C ZINC000104697714 852674528 /nfs/dbraw/zinc/67/45/28/852674528.db2.gz PXNPJSWZXGXFHQ-UHFFFAOYSA-N -1 1 415.396 4.011 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CCc2ccccc21 ZINC000105673109 852721354 /nfs/dbraw/zinc/72/13/54/852721354.db2.gz VJPBSNHQACTNRF-QFIPXVFZSA-N -1 1 406.507 4.247 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c[nH]nc1-c1ccccc1 ZINC000107619511 852782186 /nfs/dbraw/zinc/78/21/86/852782186.db2.gz QEVRBODSDYUNPL-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM O=S(=O)([N-]CCCn1cnc2ccccc21)c1c(Cl)cc(Cl)cc1Cl ZINC000108400760 852846166 /nfs/dbraw/zinc/84/61/66/852846166.db2.gz WPQWUBVFFVOUAZ-UHFFFAOYSA-N -1 1 418.733 4.365 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000108601320 852864403 /nfs/dbraw/zinc/86/44/03/852864403.db2.gz LPBPAABTNCMNMR-QHCPKHFHSA-N -1 1 416.525 4.121 20 0 HIADMM CCCCO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000109182836 852932191 /nfs/dbraw/zinc/93/21/91/852932191.db2.gz ALEKCLZUYXSTFC-CQSZACIVSA-N -1 1 410.923 4.285 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1cc(Br)ccc1F ZINC000109818488 853018615 /nfs/dbraw/zinc/01/86/15/853018615.db2.gz LNBLJLVYFDUEEZ-GOSISDBHSA-N -1 1 421.291 4.051 20 0 HIADMM CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110015088 853047035 /nfs/dbraw/zinc/04/70/35/853047035.db2.gz IEELJIQSSGACCD-OAQYLSRUSA-N -1 1 424.447 4.087 20 0 HIADMM COc1ccc([C@H]2CCN(C(=O)CCn3c(=S)[n-]nc3-c3ccc(C)cc3)C2)cc1 ZINC000110072212 853057088 /nfs/dbraw/zinc/05/70/88/853057088.db2.gz YVVNARBGXYZXQV-IBGZPJMESA-N -1 1 422.554 4.331 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000111085565 853199944 /nfs/dbraw/zinc/19/99/44/853199944.db2.gz CGHRYGYGOYHUKL-UHFFFAOYSA-N -1 1 423.542 4.083 20 0 HIADMM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000111194410 853219181 /nfs/dbraw/zinc/21/91/81/853219181.db2.gz DUPTYICNMQBWMN-SFHVURJKSA-N -1 1 423.538 4.323 20 0 HIADMM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000111194408 853219583 /nfs/dbraw/zinc/21/95/83/853219583.db2.gz DUPTYICNMQBWMN-GOSISDBHSA-N -1 1 423.538 4.323 20 0 HIADMM O=C(COc1cc(Cl)ccc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000115495605 853252910 /nfs/dbraw/zinc/25/29/10/853252910.db2.gz IBGZGIHVPUIMJA-UHFFFAOYSA-N -1 1 408.281 4.199 20 0 HIADMM CC(C)c1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n[nH]1 ZINC000115875915 853269585 /nfs/dbraw/zinc/26/95/85/853269585.db2.gz QGDVVHACFVFBCK-UHFFFAOYSA-N -1 1 418.906 4.240 20 0 HIADMM COc1ccc(-c2nc(COC(=O)c3c([O-])cc(F)cc3F)cs2)cc1OC ZINC000116109633 853283535 /nfs/dbraw/zinc/28/35/35/853283535.db2.gz JEBAEKRKCIDVPG-UHFFFAOYSA-N -1 1 407.394 4.168 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000139214530 853405829 /nfs/dbraw/zinc/40/58/29/853405829.db2.gz OTPLIYXUNFMOLQ-UHFFFAOYSA-N -1 1 413.352 4.228 20 0 HIADMM CC(C)(C)Oc1ccc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000139865411 853423921 /nfs/dbraw/zinc/42/39/21/853423921.db2.gz XTILTCZQIWXTTQ-UHFFFAOYSA-N -1 1 410.514 4.374 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2Br)sc1Br ZINC000149454698 853625399 /nfs/dbraw/zinc/62/53/99/853625399.db2.gz NRZZTQGVSPWQMP-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc2ccccc2cc1[O-] ZINC000195586993 853699416 /nfs/dbraw/zinc/69/94/16/853699416.db2.gz DDMWRMIFGBQBGS-UHFFFAOYSA-N -1 1 416.399 4.454 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(O)cc3)ccc2C)c1 ZINC000195673174 853750053 /nfs/dbraw/zinc/75/00/53/853750053.db2.gz XVWAWOJTTMOISH-UHFFFAOYSA-N -1 1 424.522 4.082 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(O)cc2)c1 ZINC000195673184 853750234 /nfs/dbraw/zinc/75/02/34/853750234.db2.gz KMNXVGCECPHBFI-UHFFFAOYSA-N -1 1 424.522 4.082 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)cc1 ZINC000247982900 854171517 /nfs/dbraw/zinc/17/15/17/854171517.db2.gz IBMIZVVNXSQAAY-UHFFFAOYSA-N -1 1 420.534 4.257 20 0 HIADMM COc1ccc(-c2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c3ccccc3n2)cc1 ZINC000248180469 854183743 /nfs/dbraw/zinc/18/37/43/854183743.db2.gz DEAILVVBQBKCAD-UHFFFAOYSA-N -1 1 413.359 4.300 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000253382197 854205390 /nfs/dbraw/zinc/20/53/90/854205390.db2.gz HFWSREJBPGMKND-IRXDYDNUSA-N -1 1 416.543 4.289 20 0 HIADMM O=C(NCc1ccco1)c1cccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000261413346 854253445 /nfs/dbraw/zinc/25/34/45/854253445.db2.gz VPJUJIMSXQISRD-UHFFFAOYSA-N -1 1 409.389 4.016 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1 ZINC000261467544 854272268 /nfs/dbraw/zinc/27/22/68/854272268.db2.gz WGGYRVNAQCZDIY-SSEXGKCCSA-N -1 1 422.506 4.052 20 0 HIADMM Cc1cc(C)cc(-c2nnc(Sc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)o2)c1 ZINC000301326228 854359904 /nfs/dbraw/zinc/35/99/04/854359904.db2.gz AVAAFVIERYVCQN-UHFFFAOYSA-N -1 1 416.466 4.339 20 0 HIADMM Cc1nc(-c2ccc(N(C)CCc3ccc(Br)cc3)nc2)[n-]c(=O)c1C ZINC000301385427 854378565 /nfs/dbraw/zinc/37/85/65/854378565.db2.gz CCDJDTZINJEERC-UHFFFAOYSA-N -1 1 413.319 4.302 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000437303066 862561511 /nfs/dbraw/zinc/56/15/11/862561511.db2.gz ASGKQXBUKWSNAV-UHFFFAOYSA-N -1 1 411.458 4.162 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3(C)CCCCC3)c2)cc1F ZINC000302937356 854687412 /nfs/dbraw/zinc/68/74/12/854687412.db2.gz ARLDXYXAHOTTEI-UHFFFAOYSA-N -1 1 404.507 4.388 20 0 HIADMM CC(C)N(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CCCC1 ZINC000303446286 854945435 /nfs/dbraw/zinc/94/54/35/854945435.db2.gz BSEREBXAOVECLK-UHFFFAOYSA-N -1 1 404.507 4.420 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000303553468 855036617 /nfs/dbraw/zinc/03/66/17/855036617.db2.gz JYKMXZPFQQEZFM-QHCPKHFHSA-N -1 1 410.539 4.450 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccccn2)Cc2ccccc2C)c(=O)[n-]1 ZINC000303562012 855040463 /nfs/dbraw/zinc/04/04/63/855040463.db2.gz XDUGXHZMVMQZAN-UHFFFAOYSA-N -1 1 422.554 4.078 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000303676245 855125560 /nfs/dbraw/zinc/12/55/60/855125560.db2.gz ZXIQWCXGOZMKKW-UHFFFAOYSA-N -1 1 419.503 4.272 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCS[C@@H](C)[C@H]3C)c2)c1 ZINC000303691405 855136468 /nfs/dbraw/zinc/13/64/68/855136468.db2.gz MGGRZTFMZADXIG-SJORKVTESA-N -1 1 418.584 4.070 20 0 HIADMM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1nccs1 ZINC000303727053 855154399 /nfs/dbraw/zinc/15/43/99/855154399.db2.gz CKWDOJLBDJWLJC-GOSISDBHSA-N -1 1 415.540 4.133 20 0 HIADMM CS[C@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000303732717 855158172 /nfs/dbraw/zinc/15/81/72/855158172.db2.gz ZTYKVEBUVQPDMM-MSOLQXFVSA-N -1 1 422.547 4.031 20 0 HIADMM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000303736995 855161967 /nfs/dbraw/zinc/16/19/67/855161967.db2.gz XOMCRRYNVZPIJU-KRWDZBQOSA-N -1 1 401.919 4.337 20 0 HIADMM Cc1ccc([C@@H](C)CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000303751590 855172410 /nfs/dbraw/zinc/17/24/10/855172410.db2.gz LWSAEFWMPIWOHD-SFHVURJKSA-N -1 1 408.523 4.329 20 0 HIADMM Cc1ccc([C@H](C)CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000303751589 855172522 /nfs/dbraw/zinc/17/25/22/855172522.db2.gz LWSAEFWMPIWOHD-GOSISDBHSA-N -1 1 408.523 4.329 20 0 HIADMM O=S(=O)([N-][C@@H]1CCC[C@@H]1Cc1ccccc1)c1sccc1Br ZINC000303752981 855173587 /nfs/dbraw/zinc/17/35/87/855173587.db2.gz CFKXWSGSNFSTJA-UKRRQHHQSA-N -1 1 400.363 4.200 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1c(Cl)cccc1C(F)(F)F ZINC000303766170 855184705 /nfs/dbraw/zinc/18/47/05/855184705.db2.gz DPQXIVYHUYLMCH-UHFFFAOYSA-N -1 1 415.767 4.439 20 0 HIADMM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000303768824 855186764 /nfs/dbraw/zinc/18/67/64/855186764.db2.gz FCGOUFSQSBTERA-UHFFFAOYSA-N -1 1 407.841 4.197 20 0 HIADMM CCCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000303812843 855215330 /nfs/dbraw/zinc/21/53/30/855215330.db2.gz IQQCAPUQFXJZAJ-QZTJIDSGSA-N -1 1 421.607 4.122 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000303849061 855245666 /nfs/dbraw/zinc/24/56/66/855245666.db2.gz FIDDAFIYEPMYID-IRXDYDNUSA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)c1ccncc1 ZINC000303914169 855287277 /nfs/dbraw/zinc/28/72/77/855287277.db2.gz NBVSDFLGHGFVAR-JOCHJYFZSA-N -1 1 423.538 4.380 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c(Br)c1 ZINC000316744015 855380843 /nfs/dbraw/zinc/38/08/43/855380843.db2.gz LDSRLWYNVDLABW-UHFFFAOYSA-N -1 1 418.725 4.216 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1Cl ZINC000318967975 855385491 /nfs/dbraw/zinc/38/54/91/855385491.db2.gz LYXWEYPITXUURX-UHFFFAOYSA-N -1 1 408.676 4.441 20 0 HIADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000320344079 855388418 /nfs/dbraw/zinc/38/84/18/855388418.db2.gz JOIRELNJMBPEMH-UHFFFAOYSA-N -1 1 402.285 4.485 20 0 HIADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000320371268 855388522 /nfs/dbraw/zinc/38/85/22/855388522.db2.gz OSHUTVSPNWLXGL-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1F ZINC000324778202 855400596 /nfs/dbraw/zinc/40/05/96/855400596.db2.gz GWLYQOLQSXRCQL-UHFFFAOYSA-N -1 1 419.291 4.373 20 0 HIADMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)ccc1Cl ZINC000325702657 855405320 /nfs/dbraw/zinc/40/53/20/855405320.db2.gz JRXZRBVOLQNDLK-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(I)ccc2C)c1 ZINC000383619413 855438761 /nfs/dbraw/zinc/43/87/61/855438761.db2.gz UYCSQFZGWAXVAO-UHFFFAOYSA-N -1 1 401.269 4.017 20 0 HIADMM O=S(=O)([N-][C@H]1CCSc2ccccc21)c1cc(Br)cnc1Cl ZINC000386105295 855442942 /nfs/dbraw/zinc/44/29/42/855442942.db2.gz PFTQRVSTGUWDRA-NSHDSACASA-N -1 1 419.753 4.013 20 0 HIADMM [O-]c1cc(-c2nc(-c3ccc4ncccc4c3)no2)ccc1I ZINC000391185537 855459047 /nfs/dbraw/zinc/45/90/47/855459047.db2.gz LNUVMWVFVYFXCG-UHFFFAOYSA-N -1 1 415.190 4.262 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1Br ZINC000391655429 855461096 /nfs/dbraw/zinc/46/10/96/855461096.db2.gz ZFKHAOLVUIOIQO-UHFFFAOYSA-N -1 1 407.289 4.115 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cc(Cl)ccc1Cl ZINC000409824665 855674582 /nfs/dbraw/zinc/67/45/82/855674582.db2.gz MUZANENLQNUGNT-JTQLQIEISA-N -1 1 419.330 4.154 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1OC(F)F)c1c(Cl)cccc1C(F)(F)F ZINC000410179944 855853005 /nfs/dbraw/zinc/85/30/05/855853005.db2.gz WGQVPTYBQOOTFL-GHMZBOCLSA-N -1 1 407.788 4.188 20 0 HIADMM COc1cccc(C2(F)CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)c1 ZINC000410230210 855871641 /nfs/dbraw/zinc/87/16/41/855871641.db2.gz VWQPHHIUQHOKON-UHFFFAOYSA-N -1 1 408.267 4.264 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc4nc(N(C)C)oc4c3)c2)n1 ZINC000410341250 855938182 /nfs/dbraw/zinc/93/81/82/855938182.db2.gz VBIHGXQCWPDGGW-UHFFFAOYSA-N -1 1 414.512 4.127 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c2ccccc12 ZINC000410395229 855972152 /nfs/dbraw/zinc/97/21/52/855972152.db2.gz AFAPCYINXFESGP-UHFFFAOYSA-N -1 1 415.467 4.135 20 0 HIADMM COc1cc(S(=O)(=O)Nc2ccccc2NC(C)(C)C)c(Cl)cc1C(=O)[O-] ZINC000410399011 855973715 /nfs/dbraw/zinc/97/37/15/855973715.db2.gz BVIHFLWBWBBZJV-UHFFFAOYSA-N -1 1 412.895 4.058 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(Br)cc1Cl)c1cccc(F)c1F ZINC000410398537 855973849 /nfs/dbraw/zinc/97/38/49/855973849.db2.gz QPWVYDGRODBIPL-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)ccc1OC(C)C ZINC000410399311 855974543 /nfs/dbraw/zinc/97/45/43/855974543.db2.gz UWBVGMNBAOAJJJ-UHFFFAOYSA-N -1 1 407.488 4.068 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccccc3NC(C)(C)C)cc2F)c1 ZINC000410405248 855979143 /nfs/dbraw/zinc/97/91/43/855979143.db2.gz XLOZIJYKKZKZQO-UHFFFAOYSA-N -1 1 402.495 4.331 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)C(C)(C)C)cc3)cc21 ZINC000426009887 856045148 /nfs/dbraw/zinc/04/51/48/856045148.db2.gz ZMNRFDKQQGIVFQ-UHFFFAOYSA-N -1 1 414.527 4.015 20 0 HIADMM COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(F)c([O-])c(F)c2)c(OC)c1 ZINC000426086632 856098021 /nfs/dbraw/zinc/09/80/21/856098021.db2.gz UUNOCKLTIDQKMH-OAQYLSRUSA-N -1 1 412.392 4.459 20 0 HIADMM CC(C)c1nn(C)cc1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000426258330 856207194 /nfs/dbraw/zinc/20/71/94/856207194.db2.gz YHJMTQVKQCZFSK-UHFFFAOYSA-N -1 1 423.498 4.061 20 0 HIADMM CCSc1cccc(-c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c1 ZINC000426586787 856360899 /nfs/dbraw/zinc/36/08/99/856360899.db2.gz NFPAVDYHBYMARS-UHFFFAOYSA-N -1 1 419.510 4.500 20 0 HIADMM CCc1nc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)ccc1C(=O)[O-] ZINC000426637402 856387213 /nfs/dbraw/zinc/38/72/13/856387213.db2.gz LKQMOLIMDLLEMQ-UHFFFAOYSA-N -1 1 412.493 4.485 20 0 HIADMM CCc1nc(CNCc2ccc(OCc3cccs3)c(OC)c2)ccc1C(=O)[O-] ZINC000426668702 856403654 /nfs/dbraw/zinc/40/36/54/856403654.db2.gz HATQYGDIYCIPMJ-UHFFFAOYSA-N -1 1 412.511 4.281 20 0 HIADMM COc1cc(Br)ccc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426728569 856438167 /nfs/dbraw/zinc/43/81/67/856438167.db2.gz WAARSIFXTSGPEZ-HNNXBMFYSA-N -1 1 402.647 4.166 20 0 HIADMM COc1cc(OC)c(OC)cc1CN[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000426750186 856453995 /nfs/dbraw/zinc/45/39/95/856453995.db2.gz LRNFVGIIHVRCDH-OAHLLOKOSA-N -1 1 414.285 4.325 20 0 HIADMM COc1cc(Cl)c(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1Cl ZINC000426794619 856482192 /nfs/dbraw/zinc/48/21/92/856482192.db2.gz VIYMUQGRFOSBJI-HNNXBMFYSA-N -1 1 414.285 4.325 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C)c(Br)c2)c1OC ZINC000426824348 856499637 /nfs/dbraw/zinc/49/96/37/856499637.db2.gz HPGKPCYKCUACMH-MRXNPFEDSA-N -1 1 408.292 4.080 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000437440951 862810647 /nfs/dbraw/zinc/81/06/47/862810647.db2.gz UNOJFYKWVNUXAR-XGAFWQRZSA-N -1 1 424.497 4.303 20 0 HIADMM Cc1cnc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c([O-])c1 ZINC000426996258 856586716 /nfs/dbraw/zinc/58/67/16/856586716.db2.gz YUWBNJJLECKHPM-UHFFFAOYSA-N -1 1 420.444 4.077 20 0 HIADMM O=C(CCC(=O)Nc1ccc([O-])c(Cl)c1)Nc1nnc(C2CCCCC2)s1 ZINC000427041967 856607913 /nfs/dbraw/zinc/60/79/13/856607913.db2.gz AWQZUURSOPJUBW-UHFFFAOYSA-N -1 1 408.911 4.302 20 0 HIADMM Cc1cnc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)s1 ZINC000427061160 856616024 /nfs/dbraw/zinc/61/60/24/856616024.db2.gz KAATUDXUIMYVSA-OAHLLOKOSA-N -1 1 415.540 4.052 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000427100274 856636114 /nfs/dbraw/zinc/63/61/14/856636114.db2.gz LTXGTQISRAUUKI-FQEVSTJZSA-N -1 1 408.546 4.447 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)NCC(C)C)cc3C)cc2s1 ZINC000427204375 856711826 /nfs/dbraw/zinc/71/18/26/856711826.db2.gz MVRMNQLNPJTWGE-UHFFFAOYSA-N -1 1 417.556 4.100 20 0 HIADMM CC(C)Oc1ccc(-c2ccc([N-]S(=O)(=O)c3cnc4n3CCC4)c(F)c2)cc1 ZINC000427292125 856755613 /nfs/dbraw/zinc/75/56/13/856755613.db2.gz NGYLYOXASXUDEK-UHFFFAOYSA-N -1 1 415.490 4.223 20 0 HIADMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc4nc(C)sc4c3)cc21 ZINC000427323134 856771179 /nfs/dbraw/zinc/77/11/79/856771179.db2.gz HUQQASOIHQZECP-UHFFFAOYSA-N -1 1 401.513 4.007 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ncccc1Cl ZINC000428007960 857039226 /nfs/dbraw/zinc/03/92/26/857039226.db2.gz YHOMQOMMIRIDSP-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(Br)cc2OC)cc(Cl)c1[O-] ZINC000428261679 857132396 /nfs/dbraw/zinc/13/23/96/857132396.db2.gz DIZCYMZJOFTMCH-UHFFFAOYSA-N -1 1 414.683 4.145 20 0 HIADMM CCOC1(C)CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000428757521 857321587 /nfs/dbraw/zinc/32/15/87/857321587.db2.gz JKRJEYMVZJUUEK-UHFFFAOYSA-N -1 1 401.507 4.182 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)c1 ZINC000428883339 857387668 /nfs/dbraw/zinc/38/76/68/857387668.db2.gz CEQHBKHAPFXGML-MRXNPFEDSA-N -1 1 418.877 4.204 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1cnc2ccc(F)cc2c1 ZINC000430072787 858020599 /nfs/dbraw/zinc/02/05/99/858020599.db2.gz UCLMUONGPSBYDU-UHFFFAOYSA-N -1 1 402.838 4.014 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ncc3n2CCCC3)cc1Cl ZINC000430371975 858137675 /nfs/dbraw/zinc/13/76/75/858137675.db2.gz RBEQDNCJSBELSF-UHFFFAOYSA-N -1 1 417.918 4.349 20 0 HIADMM C[C@H]1CC[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000430455527 858173896 /nfs/dbraw/zinc/17/38/96/858173896.db2.gz MDXFVWQUBNSRPX-XJKSGUPXSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)cc2)c1 ZINC000430460819 858177534 /nfs/dbraw/zinc/17/75/34/858177534.db2.gz WTVDZCZDDORXDX-FOIQADDNSA-N -1 1 400.544 4.365 20 0 HIADMM CC(C)(C)c1nc(=NC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)s[n-]1 ZINC000430549828 858214816 /nfs/dbraw/zinc/21/48/16/858214816.db2.gz JMRLQTBDQVDRBE-UHFFFAOYSA-N -1 1 420.494 4.144 20 0 HIADMM O=C(Nc1ccc(F)cc1[O-])c1cnc2c(Cl)cc(Br)cc2c1O ZINC000430596535 858232673 /nfs/dbraw/zinc/23/26/73/858232673.db2.gz WZWGSTPBVWKXAQ-UHFFFAOYSA-N -1 1 411.614 4.041 20 0 HIADMM O=S(=O)([N-]c1ccsc1Cl)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000437676546 863018175 /nfs/dbraw/zinc/01/81/75/863018175.db2.gz UKRFWWVQSFICGO-SNVBAGLBSA-N -1 1 408.328 4.271 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cccc(Cl)c1Br ZINC000431183490 858493340 /nfs/dbraw/zinc/49/33/40/858493340.db2.gz XUNMYOQBQNGKBX-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CCc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1 ZINC000431266558 858539177 /nfs/dbraw/zinc/53/91/77/858539177.db2.gz PGDJNHPREFBBDP-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM CC(C)c1cc(C(=O)Nc2cc([O-])c(Br)cc2Br)n(C)n1 ZINC000431446494 858619856 /nfs/dbraw/zinc/61/98/56/858619856.db2.gz QYTBORKPEMFTKY-UHFFFAOYSA-N -1 1 417.101 4.026 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1cnc2ccccc2n1 ZINC000431450523 858622433 /nfs/dbraw/zinc/62/24/33/858622433.db2.gz FJLTTXMXQFXIEY-UHFFFAOYSA-N -1 1 423.064 4.113 20 0 HIADMM COCc1ccccc1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431452797 858623848 /nfs/dbraw/zinc/62/38/48/858623848.db2.gz PTUFCALXIXEFJH-UHFFFAOYSA-N -1 1 415.081 4.316 20 0 HIADMM CCc1ccccc1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000431465960 858630680 /nfs/dbraw/zinc/63/06/80/858630680.db2.gz QUTNEHKDGZOTTQ-UHFFFAOYSA-N -1 1 408.523 4.322 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](c3ccccc3)C(F)F)s2)cs1 ZINC000431641518 858706578 /nfs/dbraw/zinc/70/65/78/858706578.db2.gz WAFYUQIQDDJVQN-OAHLLOKOSA-N -1 1 400.497 4.465 20 0 HIADMM COc1cccc2c1[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)CC2 ZINC000431672511 858729057 /nfs/dbraw/zinc/72/90/57/858729057.db2.gz HHWWHGZEKXNFKW-FQEVSTJZSA-N -1 1 422.506 4.165 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431889893 858857493 /nfs/dbraw/zinc/85/74/93/858857493.db2.gz ACMSHMYQBWSFCQ-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431893070 858859239 /nfs/dbraw/zinc/85/92/39/858859239.db2.gz ZVXJEACEGXEXPK-QMMMGPOBSA-N -1 1 404.300 4.144 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1noc(Cc2ccccc2)n1 ZINC000431896939 858860095 /nfs/dbraw/zinc/86/00/95/858860095.db2.gz VNLASPMGXXGMIR-NSHDSACASA-N -1 1 412.298 4.007 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cn1 ZINC000431913099 858867648 /nfs/dbraw/zinc/86/76/48/858867648.db2.gz LFFNRBRGOKUTLW-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM COC(=O)c1cc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c(F)cc1F ZINC000432180210 859034244 /nfs/dbraw/zinc/03/42/44/859034244.db2.gz UVPPNINJEQQBHC-UHFFFAOYSA-N -1 1 417.842 4.420 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)C(C)C)cc3)c2)n1 ZINC000432181543 859034473 /nfs/dbraw/zinc/03/44/73/859034473.db2.gz CMFIOOQQWMFGFB-UHFFFAOYSA-N -1 1 413.499 4.247 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(F)c(Br)c1 ZINC000432186425 859037142 /nfs/dbraw/zinc/03/71/42/859037142.db2.gz LNXAMZGFOXHFAK-UHFFFAOYSA-N -1 1 411.252 4.408 20 0 HIADMM Cn1cc(-c2nc(C(=O)[N-]c3nnc([C@H]4CCCc5ccccc54)s3)cs2)cn1 ZINC000432601785 859249567 /nfs/dbraw/zinc/24/95/67/859249567.db2.gz ORLCAZODCIXSBE-HNNXBMFYSA-N -1 1 422.539 4.116 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OCC(C)C)c(OCC)c2)[n-]c1=O ZINC000432709669 859310264 /nfs/dbraw/zinc/31/02/64/859310264.db2.gz QGPGNRCVZNCTSC-GDNBJRDFSA-N -1 1 400.475 4.353 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2Br)c2ccccc12 ZINC000433398721 859677369 /nfs/dbraw/zinc/67/73/69/859677369.db2.gz HCBNQBUHCXBVMZ-UHFFFAOYSA-N -1 1 407.289 4.197 20 0 HIADMM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1 ZINC000433516470 859748599 /nfs/dbraw/zinc/74/85/99/859748599.db2.gz HOIODUNDQFMOIR-UHFFFAOYSA-N -1 1 401.296 4.108 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)Nc1ccc2cc[nH]c2c1 ZINC000433652263 859824912 /nfs/dbraw/zinc/82/49/12/859824912.db2.gz CEYZTRUCYCGZBC-UHFFFAOYSA-N -1 1 420.494 4.290 20 0 HIADMM Cc1cc(F)ccc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000434227717 860213066 /nfs/dbraw/zinc/21/30/66/860213066.db2.gz LEBDPYCONSMMTQ-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CC(C)(c1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1)C(F)(F)F ZINC000434256430 860233888 /nfs/dbraw/zinc/23/38/88/860233888.db2.gz ZPZPNQDZFMAUDS-UHFFFAOYSA-N -1 1 418.412 4.289 20 0 HIADMM CCSCC[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000434284011 860250643 /nfs/dbraw/zinc/25/06/43/860250643.db2.gz VNWGNALSDCARRE-MRXNPFEDSA-N -1 1 406.573 4.091 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000434469101 860363069 /nfs/dbraw/zinc/36/30/69/860363069.db2.gz HDPYCALVYCQKQP-UHFFFAOYSA-N -1 1 401.470 4.379 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000434979126 860584142 /nfs/dbraw/zinc/58/41/42/860584142.db2.gz ZAYIVMMMDDHBRS-OAQYLSRUSA-N -1 1 424.570 4.056 20 0 HIADMM Cn1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cc(F)ccc21 ZINC000435409397 860790116 /nfs/dbraw/zinc/79/01/16/860790116.db2.gz CABUTEHGDZBJAK-UHFFFAOYSA-N -1 1 423.469 4.371 20 0 HIADMM CC[C@](C)(OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000435579024 860895146 /nfs/dbraw/zinc/89/51/46/860895146.db2.gz JHHOKEXAHRJKKQ-SFHVURJKSA-N -1 1 414.886 4.034 20 0 HIADMM CC(C)OCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438053752 863420847 /nfs/dbraw/zinc/42/08/47/863420847.db2.gz VBTPAAGUQIAGJJ-UHFFFAOYSA-N -1 1 414.886 4.034 20 0 HIADMM CCc1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)co1 ZINC000438053738 863420925 /nfs/dbraw/zinc/42/09/25/863420925.db2.gz GRMKAXPQQLDQES-UHFFFAOYSA-N -1 1 423.853 4.083 20 0 HIADMM CC(C)c1nnc2ccc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)cn21 ZINC000438242099 863697190 /nfs/dbraw/zinc/69/71/90/863697190.db2.gz UOTVHWODQWIORJ-UHFFFAOYSA-N -1 1 422.510 4.233 20 0 HIADMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000438771951 864268493 /nfs/dbraw/zinc/26/84/93/864268493.db2.gz OIXKJFITDAIPNA-VWLOTQADSA-N -1 1 408.570 4.132 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1Br ZINC000438795771 864287730 /nfs/dbraw/zinc/28/77/30/864287730.db2.gz LCZPWLBSXFAFEQ-UHFFFAOYSA-N -1 1 410.318 4.077 20 0 HIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1 ZINC000438800240 864290675 /nfs/dbraw/zinc/29/06/75/864290675.db2.gz DYBVFUWRMLHIHP-UHFFFAOYSA-N -1 1 416.543 4.245 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000438802514 864294106 /nfs/dbraw/zinc/29/41/06/864294106.db2.gz BOPARLSRZLJDPA-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(CC(=O)N(C)c2ccccc2)cc1 ZINC000438804254 864295431 /nfs/dbraw/zinc/29/54/31/864295431.db2.gz WIXFNVDQRWPADB-UHFFFAOYSA-N -1 1 412.486 4.140 20 0 HIADMM CC(C)COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000438810705 864302520 /nfs/dbraw/zinc/30/25/20/864302520.db2.gz YCDARSYPASGSLS-UHFFFAOYSA-N -1 1 401.843 4.013 20 0 HIADMM O=S(=O)([N-]Cc1cccc(-c2ccccn2)c1)c1sccc1Br ZINC000438941460 864416653 /nfs/dbraw/zinc/41/66/53/864416653.db2.gz FNGCSAGLKKKZOV-UHFFFAOYSA-N -1 1 409.330 4.051 20 0 HIADMM Cc1ccc(NC(=O)CC[C@@H]2CC[C@H](C)O2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000439010526 864461876 /nfs/dbraw/zinc/46/18/76/864461876.db2.gz ZYYJNTBESBXNRH-WMZOPIPTSA-N -1 1 402.516 4.082 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)C3(C)CC3)c2)cc1F ZINC000439021831 864476019 /nfs/dbraw/zinc/47/60/19/864476019.db2.gz KODIAEAVRJRENO-OAHLLOKOSA-N -1 1 404.507 4.196 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)C3(C)CC3)cc2)cc1 ZINC000439024771 864478973 /nfs/dbraw/zinc/47/89/73/864478973.db2.gz VNIFWQFJNXVENL-MRXNPFEDSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c1 ZINC000439087181 864534322 /nfs/dbraw/zinc/53/43/22/864534322.db2.gz NRUHDFOLSPEYJS-HOCLYGCPSA-N -1 1 404.507 4.196 20 0 HIADMM O=S(=O)([N-]CCCC(F)(F)F)c1ccc(Br)cc1C(F)(F)F ZINC000439234958 864650848 /nfs/dbraw/zinc/65/08/48/864650848.db2.gz JSQJZKCCCANVED-UHFFFAOYSA-N -1 1 414.165 4.089 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2noc(C3CC3)n2)cc1)c1cccc2ccccc21 ZINC000439563618 864888674 /nfs/dbraw/zinc/88/86/74/864888674.db2.gz BPWUTPXQFWNGQC-UHFFFAOYSA-N -1 1 421.478 4.480 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2C(F)(F)F)c1 ZINC000467945867 881815525 /nfs/dbraw/zinc/81/55/25/881815525.db2.gz ODNDNZIWTZTREC-UHFFFAOYSA-N -1 1 403.422 4.001 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2c1CN(CC(F)(F)F)C2 ZINC000440082100 865345786 /nfs/dbraw/zinc/34/57/86/865345786.db2.gz QWJSTIINFIJYMQ-UHFFFAOYSA-N -1 1 404.841 4.327 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000440368318 865653774 /nfs/dbraw/zinc/65/37/74/865653774.db2.gz SCLMQVOVIZNUJF-ISKFKSNPSA-N -1 1 418.518 4.330 20 0 HIADMM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000440405524 865699675 /nfs/dbraw/zinc/69/96/75/865699675.db2.gz NWOSWEJWALTQMO-GJZGRUSLSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)cc2)cc1C ZINC000440414377 865709415 /nfs/dbraw/zinc/70/94/15/865709415.db2.gz OMUHLZJLMWXJAX-YJBOKZPZSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)CC[C@@H]3C)c2)c1 ZINC000440415897 865712028 /nfs/dbraw/zinc/71/20/28/865712028.db2.gz NIWAPKAWURDUEB-WMZOPIPTSA-N -1 1 400.544 4.365 20 0 HIADMM CCOCc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000440445495 865745687 /nfs/dbraw/zinc/74/56/87/865745687.db2.gz PJJSQXWHIHAYRJ-UHFFFAOYSA-N -1 1 410.495 4.276 20 0 HIADMM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(F)ccc1Nc1ccc(F)cc1F ZINC000440823534 865939452 /nfs/dbraw/zinc/93/94/52/865939452.db2.gz DRZDJHHYQGLIPG-CQSZACIVSA-N -1 1 400.422 4.158 20 0 HIADMM CCc1ncsc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000441862226 866927562 /nfs/dbraw/zinc/92/75/62/866927562.db2.gz JZUIKAIQEJGAII-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000442341129 867335665 /nfs/dbraw/zinc/33/56/65/867335665.db2.gz NMPDDOPKJXSZKM-UHFFFAOYSA-N -1 1 409.511 4.241 20 0 HIADMM CC(C)(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000442844277 867695579 /nfs/dbraw/zinc/69/55/79/867695579.db2.gz LFYVRAQMUJCDIY-UHFFFAOYSA-N -1 1 421.462 4.078 20 0 HIADMM CCOCCOc1ccc(Cl)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442964427 867767850 /nfs/dbraw/zinc/76/78/50/867767850.db2.gz ITNHLLPDIANPTN-UHFFFAOYSA-N -1 1 400.258 4.375 20 0 HIADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000443011518 867790871 /nfs/dbraw/zinc/79/08/71/867790871.db2.gz FCLBSTWAXKRIMS-AWEZNQCLSA-N -1 1 421.824 4.099 20 0 HIADMM COc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1Oc1ccc(C)nn1 ZINC000443052494 867804091 /nfs/dbraw/zinc/80/40/91/867804091.db2.gz URQIAIYPALOIBF-UHFFFAOYSA-N -1 1 415.833 4.206 20 0 HIADMM COc1cc(-c2nc(-c3cccc(OCCOC(C)(C)C)n3)no2)cc(Cl)c1[O-] ZINC000443225187 867882449 /nfs/dbraw/zinc/88/24/49/867882449.db2.gz NPYIXONZTTVPDE-UHFFFAOYSA-N -1 1 419.865 4.360 20 0 HIADMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc(I)c([O-])c1 ZINC000443382720 867944402 /nfs/dbraw/zinc/94/44/02/867944402.db2.gz DBNQSYOUEYOMFF-UHFFFAOYSA-N -1 1 420.250 4.140 20 0 HIADMM CC[C@H](C)OCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000443394084 867952358 /nfs/dbraw/zinc/95/23/58/867952358.db2.gz RERXZIVNQOWWKR-AWEZNQCLSA-N -1 1 410.923 4.203 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)ccc1C ZINC000443401983 867960663 /nfs/dbraw/zinc/96/06/63/867960663.db2.gz FJHNKTHUFSIRJK-UHFFFAOYSA-N -1 1 401.513 4.186 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2C)c1 ZINC000443410976 867994390 /nfs/dbraw/zinc/99/43/90/867994390.db2.gz STHGSUBGKMEQKA-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443417166 868002116 /nfs/dbraw/zinc/00/21/16/868002116.db2.gz VQQVQZJSSVHQDZ-UHFFFAOYSA-N -1 1 418.584 4.063 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1F ZINC000443467584 868056414 /nfs/dbraw/zinc/05/64/14/868056414.db2.gz SXRIVKAPRZDVMZ-UHFFFAOYSA-N -1 1 401.740 4.446 20 0 HIADMM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)cc1 ZINC000443527953 868085076 /nfs/dbraw/zinc/08/50/76/868085076.db2.gz HYLBATGFCOMSON-UHFFFAOYSA-N -1 1 406.401 4.024 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@](C)(CC)C3)cc2)cc1 ZINC000468265496 882184107 /nfs/dbraw/zinc/18/41/07/882184107.db2.gz VLZLHRJMFKYIRZ-QFIPXVFZSA-N -1 1 416.543 4.148 20 0 HIADMM O=C(Cc1ccc(Cl)c(F)c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000468267427 882185821 /nfs/dbraw/zinc/18/58/21/882185821.db2.gz CMSSTOXOYFXUOP-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000443966890 868499272 /nfs/dbraw/zinc/49/92/72/868499272.db2.gz OHRJOSPDTLZICC-QFIPXVFZSA-N -1 1 416.525 4.121 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1 ZINC000444055007 868593897 /nfs/dbraw/zinc/59/38/97/868593897.db2.gz ZJXYPZFXOOKPBH-UHFFFAOYSA-N -1 1 409.349 4.282 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccnc2ccncc21 ZINC000444084585 868608564 /nfs/dbraw/zinc/60/85/64/868608564.db2.gz SIENSPNUSZHZON-UHFFFAOYSA-N -1 1 404.495 4.067 20 0 HIADMM Cc1nnc(-c2ccccc2C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)o1 ZINC000444337316 868765257 /nfs/dbraw/zinc/76/52/57/868765257.db2.gz GDTUTECHODMFKC-UHFFFAOYSA-N -1 1 420.469 4.065 20 0 HIADMM COc1ccccc1C1(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CC1 ZINC000444350145 868778497 /nfs/dbraw/zinc/77/84/97/868778497.db2.gz GTNWMHRMMGHHKY-UHFFFAOYSA-N -1 1 408.498 4.134 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cc2c([nH]c1=O)CCCCC2 ZINC000444351760 868779562 /nfs/dbraw/zinc/77/95/62/868779562.db2.gz LEPKXOMSJWBJQM-UHFFFAOYSA-N -1 1 423.513 4.077 20 0 HIADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CCO1 ZINC000444375917 868800400 /nfs/dbraw/zinc/80/04/00/868800400.db2.gz QXGWHYCRTHSRLV-IIBYNOLFSA-N -1 1 402.535 4.235 20 0 HIADMM Cc1nnc(-c2ccc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)cc2)o1 ZINC000444376077 868800446 /nfs/dbraw/zinc/80/04/46/868800446.db2.gz RKSYIOXKQVUZOW-UHFFFAOYSA-N -1 1 420.469 4.065 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccccc1Br ZINC000444388350 868803777 /nfs/dbraw/zinc/80/37/77/868803777.db2.gz YLCLIYCELJQZLA-UHFFFAOYSA-N -1 1 417.303 4.470 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2cccc(O)c2)c1 ZINC000444458807 868835906 /nfs/dbraw/zinc/83/59/06/868835906.db2.gz VRUXQEVPACFSNA-KRWDZBQOSA-N -1 1 424.522 4.301 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](C(C)C)C3)cc2)cc1 ZINC000444518986 868866575 /nfs/dbraw/zinc/86/65/75/868866575.db2.gz KMKHFEKWDNTISK-GOSISDBHSA-N -1 1 416.543 4.004 20 0 HIADMM CC[C@H](C)[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000444545422 868876618 /nfs/dbraw/zinc/87/66/18/868876618.db2.gz LFLUSSNDCDGREW-SUMWQHHRSA-N -1 1 414.449 4.194 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1 ZINC000444582774 868890140 /nfs/dbraw/zinc/89/01/40/868890140.db2.gz ZXFLODCTTCGWNI-FQEVSTJZSA-N -1 1 406.507 4.159 20 0 HIADMM Cc1ccc(C(=O)N2CCCC23CCC3)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000444617440 868908930 /nfs/dbraw/zinc/90/89/30/868908930.db2.gz GZTDLUURPJZUEH-UHFFFAOYSA-N -1 1 402.491 4.094 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3sccc3-c3ccc(C)cc3)CC2)n1 ZINC000444758324 868987897 /nfs/dbraw/zinc/98/78/97/868987897.db2.gz XXFJPGKDYUDZCN-UHFFFAOYSA-N -1 1 424.526 4.038 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccoc1Br ZINC000444858277 869060413 /nfs/dbraw/zinc/06/04/13/869060413.db2.gz MBTHBBBQYFLWHF-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM CC(C)N(CC1CCC1)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000445026843 869174972 /nfs/dbraw/zinc/17/49/72/869174972.db2.gz BYPMGZAOVGJWJM-UHFFFAOYSA-N -1 1 415.559 4.208 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)o1 ZINC000445251570 869306344 /nfs/dbraw/zinc/30/63/44/869306344.db2.gz PXVYHEZOQHVPAN-UHFFFAOYSA-N -1 1 418.858 4.189 20 0 HIADMM COc1cc(NC(=O)c2sc3cc(C)c(C)cc3c2C)ccc1[N-]S(C)(=O)=O ZINC000445267704 869316303 /nfs/dbraw/zinc/31/63/03/869316303.db2.gz ZJRXSTHYAJTVDN-UHFFFAOYSA-N -1 1 418.540 4.459 20 0 HIADMM CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cc1 ZINC000445270823 869317092 /nfs/dbraw/zinc/31/70/92/869317092.db2.gz VLXKFXSPUUHIQG-ZDUSSCGKSA-N -1 1 408.458 4.095 20 0 HIADMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C(C)C)c1C ZINC000468349651 882286915 /nfs/dbraw/zinc/28/69/15/882286915.db2.gz BHIMRLRGVGTOEW-UHFFFAOYSA-N -1 1 410.561 4.071 20 0 HIADMM COc1cc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc(OC)c1C ZINC000445388546 869474624 /nfs/dbraw/zinc/47/46/24/869474624.db2.gz BKJZAJUUBBBEAY-UHFFFAOYSA-N -1 1 421.247 4.206 20 0 HIADMM COc1cc(-c2noc([C@@H](C)Oc3ccc(F)cc3)n2)cc(Br)c1[O-] ZINC000445392867 869478604 /nfs/dbraw/zinc/47/86/04/869478604.db2.gz OYFZVMWOGXTPTO-SECBINFHSA-N -1 1 409.211 4.492 20 0 HIADMM COc1ccc(/C=C\c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1O ZINC000445396180 869481817 /nfs/dbraw/zinc/48/18/17/869481817.db2.gz ZLMOMTDIGYYBHG-XQRVVYSFSA-N -1 1 419.231 4.098 20 0 HIADMM COc1cc(-c2noc(Cn3ccc4ccccc43)n2)cc(Br)c1[O-] ZINC000445397130 869483024 /nfs/dbraw/zinc/48/30/24/869483024.db2.gz DFIQKZJQZZHLNU-UHFFFAOYSA-N -1 1 400.232 4.216 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CCCN(C(=O)[C@@H](C)CC)C3)n2)cc(Cl)c1[O-] ZINC000445406447 869490727 /nfs/dbraw/zinc/49/07/27/869490727.db2.gz JRDUEEHZRKCJMS-QWHCGFSZSA-N -1 1 407.898 4.246 20 0 HIADMM CCOc1cc(-c2noc(CCc3nc(C4CCCC4)no3)n2)cc(Cl)c1[O-] ZINC000445432596 869517889 /nfs/dbraw/zinc/51/78/89/869517889.db2.gz WPJOSNMQCICWFA-UHFFFAOYSA-N -1 1 404.854 4.320 20 0 HIADMM CCOc1cc(-c2noc(-c3csc(-c4cnccn4)n3)n2)cc(Cl)c1[O-] ZINC000445432713 869518025 /nfs/dbraw/zinc/51/80/25/869518025.db2.gz UXUHEXKSJAOLBT-UHFFFAOYSA-N -1 1 401.835 4.075 20 0 HIADMM [O-]c1ccc(-c2noc([C@@H]3CCCN(c4ncnc5sccc54)C3)n2)c(Cl)c1 ZINC000445445653 869527835 /nfs/dbraw/zinc/52/78/35/869527835.db2.gz APWYAYUOALHUDY-LLVKDONJSA-N -1 1 413.890 4.484 20 0 HIADMM O=C(CCc1ccccc1)N1CCC(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000445449753 869530030 /nfs/dbraw/zinc/53/00/30/869530030.db2.gz PGSMVSYPXUPGIT-UHFFFAOYSA-N -1 1 411.889 4.434 20 0 HIADMM [O-]c1ccc(-c2noc([C@H]3CCCN(c4ncccc4C(F)(F)F)C3)n2)c(F)c1 ZINC000445455778 869533823 /nfs/dbraw/zinc/53/38/23/869533823.db2.gz FYJWJHNXWNQJGL-NSHDSACASA-N -1 1 408.355 4.379 20 0 HIADMM O=c1c2ccccc2c(-c2nc(-c3ccc([O-])cc3F)no2)nn1Cc1ccccc1 ZINC000445457432 869535076 /nfs/dbraw/zinc/53/50/76/869535076.db2.gz RYTJTIKQGDRMEN-UHFFFAOYSA-N -1 1 414.396 4.007 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccc(O)cc3F)no2)cc1)c1ccccc1 ZINC000445460516 869537173 /nfs/dbraw/zinc/53/71/73/869537173.db2.gz AZIFKYJYIMFUBJ-UHFFFAOYSA-N -1 1 411.414 4.049 20 0 HIADMM Cn1ccnc1Sc1ncc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1Cl ZINC000445478730 869551871 /nfs/dbraw/zinc/55/18/71/869551871.db2.gz FRGLOTSQHQYJPE-UHFFFAOYSA-N -1 1 403.826 4.181 20 0 HIADMM [O-]c1ccc(-c2noc(-c3cnn(-c4cccc(Br)c4)c3)n2)cc1F ZINC000445483887 869555859 /nfs/dbraw/zinc/55/58/59/869555859.db2.gz XGCDJLZKCCFTMT-UHFFFAOYSA-N -1 1 401.195 4.197 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc([C@@H]3CCCOC3)no2)cc1 ZINC000445526935 869583874 /nfs/dbraw/zinc/58/38/74/869583874.db2.gz CZEHNSFUNZFGGQ-CQSZACIVSA-N -1 1 419.890 4.085 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(C4CCSCC4)no3)cc2)cc1 ZINC000445538978 869595529 /nfs/dbraw/zinc/59/55/29/869595529.db2.gz CQHFTMJQLADSIN-UHFFFAOYSA-N -1 1 415.540 4.456 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc(-c2cncs2)no1 ZINC000445589771 869650906 /nfs/dbraw/zinc/65/09/06/869650906.db2.gz XDMQELVIOGRINK-UHFFFAOYSA-N -1 1 416.459 4.108 20 0 HIADMM CCOc1cc(-c2nc(CC(=O)N[C@@H](CC)c3ccccc3)no2)cc(Cl)c1[O-] ZINC000445707417 869771188 /nfs/dbraw/zinc/77/11/88/869771188.db2.gz OIZYPQFJKAOPFJ-INIZCTEOSA-N -1 1 415.877 4.304 20 0 HIADMM CCSCCCc1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000445740171 869793280 /nfs/dbraw/zinc/79/32/80/869793280.db2.gz DNYBPDOUMPEKLZ-UHFFFAOYSA-N -1 1 403.529 4.223 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(C(C)(C)Cc2ccccc2)no1 ZINC000445783130 869822044 /nfs/dbraw/zinc/82/20/44/869822044.db2.gz HTDFVBQTQZHBMS-UHFFFAOYSA-N -1 1 401.470 4.047 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](C(C)C)C3)cc2)ccc1F ZINC000446522555 870440722 /nfs/dbraw/zinc/44/07/22/870440722.db2.gz QCSMFQFVMFDSHI-KRWDZBQOSA-N -1 1 404.507 4.053 20 0 HIADMM CCC1(CC)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000446693629 870610478 /nfs/dbraw/zinc/61/04/78/870610478.db2.gz OVUFGFOHMIDNSA-UHFFFAOYSA-N -1 1 422.497 4.418 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)c(C(F)(F)F)c1 ZINC000446792506 870709631 /nfs/dbraw/zinc/70/96/31/870709631.db2.gz YVSUXJGNGTXGRQ-UHFFFAOYSA-N -1 1 406.813 4.259 20 0 HIADMM C[C@@H](Oc1cccc(Cl)c1)c1nnc([N-]Cc2nc3c(s2)C[C@@H](C)CC3)o1 ZINC000446881808 870802256 /nfs/dbraw/zinc/80/22/56/870802256.db2.gz VTDNZLLINQIMHA-NWDGAFQWSA-N -1 1 404.923 5.056 20 0 HIADMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1c(F)cc(Br)cc1F ZINC000447228727 871116528 /nfs/dbraw/zinc/11/65/28/871116528.db2.gz XWCMGAVIRUDUHW-UHFFFAOYSA-N -1 1 415.144 4.043 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3noc(C(F)(F)F)n3)c2)ccc1F ZINC000447263571 871144100 /nfs/dbraw/zinc/14/41/00/871144100.db2.gz JUZYTCQOLRYTFN-UHFFFAOYSA-N -1 1 401.341 4.004 20 0 HIADMM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1 ZINC000447271332 871159495 /nfs/dbraw/zinc/15/94/95/871159495.db2.gz NGBXTPWSSVEEPC-UHFFFAOYSA-N -1 1 412.433 4.047 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1C(=O)N(C)C(C)C ZINC000447275713 871166982 /nfs/dbraw/zinc/16/69/82/871166982.db2.gz VHGXXICBVUXDOI-UHFFFAOYSA-N -1 1 416.543 4.115 20 0 HIADMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000468514448 882519984 /nfs/dbraw/zinc/51/99/84/882519984.db2.gz GMGIQIWCQSIFHG-SNVBAGLBSA-N -1 1 408.278 4.347 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1OC ZINC000447778337 871708405 /nfs/dbraw/zinc/70/84/05/871708405.db2.gz PJJVPCIVHMGNHK-UHFFFAOYSA-N -1 1 402.875 4.117 20 0 HIADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447787853 871721523 /nfs/dbraw/zinc/72/15/23/871721523.db2.gz ORDRPMCIRPEEPY-UHFFFAOYSA-N -1 1 407.385 4.061 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Sc3ncccn3)cc2C)c1 ZINC000448053922 871884174 /nfs/dbraw/zinc/88/41/74/871884174.db2.gz KUVMRXLPPGEULX-UHFFFAOYSA-N -1 1 413.524 4.330 20 0 HIADMM O=C(Nc1ccnn1-c1ccc(Br)cn1)Nc1ccc([O-])c(Cl)c1 ZINC000448115154 871971659 /nfs/dbraw/zinc/97/16/59/871971659.db2.gz AZRUKLTUZUECFI-UHFFFAOYSA-N -1 1 408.643 4.033 20 0 HIADMM COc1cc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc(Cl)c1[O-] ZINC000460198743 872774520 /nfs/dbraw/zinc/77/45/20/872774520.db2.gz PHABZFSPBZHOAX-UHFFFAOYSA-N -1 1 411.907 4.020 20 0 HIADMM COc1cc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)cc(Cl)c1[O-] ZINC000460201086 872779214 /nfs/dbraw/zinc/77/92/14/872779214.db2.gz HPYCZAWHOSIQKH-UHFFFAOYSA-N -1 1 410.297 4.186 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)c(Cl)c1Cl ZINC000460415532 873072412 /nfs/dbraw/zinc/07/24/12/873072412.db2.gz ZURGVKIQUZHFCH-UHFFFAOYSA-N -1 1 422.311 4.223 20 0 HIADMM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000460452749 873129347 /nfs/dbraw/zinc/12/93/47/873129347.db2.gz XPQRNDQUWZHNMV-SFHVURJKSA-N -1 1 420.575 4.148 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c(=O)[n-]1 ZINC000460555047 873269530 /nfs/dbraw/zinc/26/95/30/873269530.db2.gz PHIIVHULUZDHCN-SDDDUWNISA-N -1 1 405.951 4.312 20 0 HIADMM Cc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000460720370 873519011 /nfs/dbraw/zinc/51/90/11/873519011.db2.gz PKLIPANNNLIGSS-UHFFFAOYSA-N -1 1 413.499 4.334 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 ZINC000460825943 873711313 /nfs/dbraw/zinc/71/13/13/873711313.db2.gz AAXAKNSJJKFQSI-UHFFFAOYSA-N -1 1 411.483 4.250 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCOCC3)c2)c1 ZINC000460831680 873718993 /nfs/dbraw/zinc/71/89/93/873718993.db2.gz SOPPLYWMBMCKPH-MHZLTWQESA-N -1 1 421.584 4.039 20 0 HIADMM CC(C)c1cnc(-c2ccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)cc2)o1 ZINC000460832236 873719510 /nfs/dbraw/zinc/71/95/10/873719510.db2.gz QGFSNGKTPWLCFW-UHFFFAOYSA-N -1 1 404.463 4.425 20 0 HIADMM CCOC(=O)Cn1ccc2cc([N-]S(=O)(=O)c3cccc(C(C)C)c3)ccc21 ZINC000460835269 873723013 /nfs/dbraw/zinc/72/30/13/873723013.db2.gz ZEICQEBWRILYCG-UHFFFAOYSA-N -1 1 400.500 4.129 20 0 HIADMM C[C@@H](C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000460859609 873762149 /nfs/dbraw/zinc/76/21/49/873762149.db2.gz DXPRRGBHLWCISY-MRXNPFEDSA-N -1 1 412.486 4.046 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H](C)CC(F)(F)F ZINC000468633536 882765505 /nfs/dbraw/zinc/76/55/05/882765505.db2.gz VLMGZSVNQBUNOE-GFCCVEGCSA-N -1 1 418.412 4.006 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)cc2)cc1C ZINC000460983776 873873479 /nfs/dbraw/zinc/87/34/79/873873479.db2.gz UIYOVMVEOFJVSJ-OAQYLSRUSA-N -1 1 412.555 4.365 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000461168595 874134774 /nfs/dbraw/zinc/13/47/74/874134774.db2.gz PCUQSBVJLLJCMK-CQSZACIVSA-N -1 1 424.950 4.074 20 0 HIADMM CC(C)c1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000461275296 874283496 /nfs/dbraw/zinc/28/34/96/874283496.db2.gz RHFWXWOIEMUILQ-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000461282233 874288890 /nfs/dbraw/zinc/28/88/90/874288890.db2.gz MMASJFPTMPTZHB-LJQANCHMSA-N -1 1 422.550 4.465 20 0 HIADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(Br)c(Cl)c3)ccc12 ZINC000461338725 874349639 /nfs/dbraw/zinc/34/96/39/874349639.db2.gz HMRVCMDRSQSNLA-UHFFFAOYSA-N -1 1 414.712 4.098 20 0 HIADMM O=C(Nc1cc(C2CC2)ccn1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000461429539 874470181 /nfs/dbraw/zinc/47/01/81/874470181.db2.gz OUNDBVDKUGMRJZ-UHFFFAOYSA-N -1 1 411.458 4.151 20 0 HIADMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)c2C1 ZINC000461435767 874487972 /nfs/dbraw/zinc/48/79/72/874487972.db2.gz ZRMPFEOPPKGOPI-UHFFFAOYSA-N -1 1 413.312 4.113 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000461501830 874576518 /nfs/dbraw/zinc/57/65/18/874576518.db2.gz FLKMMHGVIGCOKP-VLIAUNLRSA-N -1 1 420.481 4.170 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000461689892 874840568 /nfs/dbraw/zinc/84/05/68/874840568.db2.gz QSIOXDKMXLBWAH-HXUWFJFHSA-N -1 1 420.557 4.199 20 0 HIADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000462098573 875207110 /nfs/dbraw/zinc/20/71/10/875207110.db2.gz CXKZXPIEYCQNRD-UHFFFAOYSA-N -1 1 403.378 4.033 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1nc(C2CCCCC2)no1 ZINC000462108245 875214484 /nfs/dbraw/zinc/21/44/84/875214484.db2.gz LAAIVUWKQBOJQQ-VIFPVBQESA-N -1 1 409.455 4.237 20 0 HIADMM CCC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000462698501 875786682 /nfs/dbraw/zinc/78/66/82/875786682.db2.gz CNDUQAGFLGNLNR-LBPRGKRZSA-N -1 1 423.343 4.056 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000462917884 875945847 /nfs/dbraw/zinc/94/58/47/875945847.db2.gz AUROAXZNLZFJSI-QHCPKHFHSA-N -1 1 410.901 4.051 20 0 HIADMM O=C(Nc1cc2c(cn1)CCCC2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000462977071 875988595 /nfs/dbraw/zinc/98/85/95/875988595.db2.gz NLDFINDHESYAQN-UHFFFAOYSA-N -1 1 407.495 4.014 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C ZINC000463061208 876090009 /nfs/dbraw/zinc/09/00/09/876090009.db2.gz NORLEWFQWAXSGH-XXBNENTESA-N -1 1 416.525 4.171 20 0 HIADMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000463239628 876296659 /nfs/dbraw/zinc/29/66/59/876296659.db2.gz YMKQJYJYQHOFOQ-JTQLQIEISA-N -1 1 406.813 4.278 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1SCCc2ccccc21 ZINC000463385478 876440061 /nfs/dbraw/zinc/44/00/61/876440061.db2.gz BGQGARAJVRCTIK-NRFANRHFSA-N -1 1 424.547 4.457 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)cc1Cl ZINC000463525336 876594726 /nfs/dbraw/zinc/59/47/26/876594726.db2.gz IRVKVXQROYJPPD-UHFFFAOYSA-N -1 1 424.975 4.489 20 0 HIADMM O=C(CCCC1CCCC1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000463561214 876649016 /nfs/dbraw/zinc/64/90/16/876649016.db2.gz ZAUGFAYBMVCAHS-UHFFFAOYSA-N -1 1 400.544 4.464 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)ccc1OC(C)C ZINC000463790417 876909437 /nfs/dbraw/zinc/90/94/37/876909437.db2.gz XMKHHLHOABDJFO-UHFFFAOYSA-N -1 1 418.284 4.185 20 0 HIADMM Cc1cc(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469016712 883084356 /nfs/dbraw/zinc/08/43/56/883084356.db2.gz PECHMRQPRSSZIZ-UHFFFAOYSA-N -1 1 424.363 4.067 20 0 HIADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000463904694 877026267 /nfs/dbraw/zinc/02/62/67/877026267.db2.gz FAYQQPQPKZGHJK-KGLIPLIRSA-N -1 1 410.486 4.320 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1c(F)cccc1Cl ZINC000464195959 877367272 /nfs/dbraw/zinc/36/72/72/877367272.db2.gz RPGCKLZYSLATRG-CABCVRRESA-N -1 1 408.253 4.080 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CC(F)(F)F)cc2)c1 ZINC000464274860 877460993 /nfs/dbraw/zinc/46/09/93/877460993.db2.gz KUYIYTFWNOZNTQ-CQSZACIVSA-N -1 1 414.449 4.175 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CC(F)(F)F)ccc2C)cc1 ZINC000464277847 877463893 /nfs/dbraw/zinc/46/38/93/877463893.db2.gz SBZQMHCHTPFNDE-CQSZACIVSA-N -1 1 414.449 4.175 20 0 HIADMM CN(CCc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000464351204 877543956 /nfs/dbraw/zinc/54/39/56/877543956.db2.gz JVERHALHAXRDEX-UHFFFAOYSA-N -1 1 418.515 4.003 20 0 HIADMM Cc1cc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c2cccnc2c1C ZINC000464457813 877677855 /nfs/dbraw/zinc/67/78/55/877677855.db2.gz XJGQZVJDBIFEHV-UHFFFAOYSA-N -1 1 413.481 4.289 20 0 HIADMM Cc1ccc(C(=O)N2CCC(C)(C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000464535824 877750661 /nfs/dbraw/zinc/75/06/61/877750661.db2.gz QYQPHPBIOSWTKF-UHFFFAOYSA-N -1 1 406.935 4.321 20 0 HIADMM CC1(C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000464538338 877752467 /nfs/dbraw/zinc/75/24/67/877752467.db2.gz NAMNJWTYXOGHJK-UHFFFAOYSA-N -1 1 410.898 4.152 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H]1c1ccccc1 ZINC000464559348 877777312 /nfs/dbraw/zinc/77/73/12/877777312.db2.gz JOIYVCBOTGBXIU-ZHRRBRCNSA-N -1 1 424.497 4.460 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000464602539 877831964 /nfs/dbraw/zinc/83/19/64/877831964.db2.gz RGTMFMBLHMUMCX-NRFANRHFSA-N -1 1 422.497 4.418 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000464700570 877917731 /nfs/dbraw/zinc/91/77/31/877917731.db2.gz QSTDNBLLOOIFDS-HNNXBMFYSA-N -1 1 424.563 4.196 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000464709701 877932324 /nfs/dbraw/zinc/93/23/24/877932324.db2.gz MCSYACHIFNLKSU-QGZVFWFLSA-N -1 1 420.600 4.366 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000464715535 877942994 /nfs/dbraw/zinc/94/29/94/877942994.db2.gz TVRASYFSQPHXTD-HNNXBMFYSA-N -1 1 424.563 4.196 20 0 HIADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000464836852 878098314 /nfs/dbraw/zinc/09/83/14/878098314.db2.gz LBLKZPGQHLBHLH-UHFFFAOYSA-N -1 1 415.433 4.386 20 0 HIADMM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)O1 ZINC000464863426 878144096 /nfs/dbraw/zinc/14/40/96/878144096.db2.gz SGHWDCKWAQBEND-WMZOPIPTSA-N -1 1 408.907 4.037 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCc2c1cccc2Cl ZINC000465033869 878397341 /nfs/dbraw/zinc/39/73/41/878397341.db2.gz OBMYIFOTVPVZTP-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM CCCn1ccc2ccc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)cc21 ZINC000465160906 878542549 /nfs/dbraw/zinc/54/25/49/878542549.db2.gz VOQHHLOZNMFMFZ-UHFFFAOYSA-N -1 1 401.470 4.099 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3C)cc2)cc1 ZINC000465272313 878704162 /nfs/dbraw/zinc/70/41/62/878704162.db2.gz LYMKPYKPYLOEPO-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1c(F)cccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000465272799 878704661 /nfs/dbraw/zinc/70/46/61/878704661.db2.gz CYMGZQSOKUBFCV-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000465296169 878736719 /nfs/dbraw/zinc/73/67/19/878736719.db2.gz ROQGZUOCJBENRJ-OXJNMPFZSA-N -1 1 400.544 4.365 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](CC(C)C)C3)c2)cc1 ZINC000465304304 878749158 /nfs/dbraw/zinc/74/91/58/878749158.db2.gz OCUPXCXHMNEUGK-QGZVFWFLSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](CC(C)C)C3)cc2)cc1 ZINC000465319275 878763133 /nfs/dbraw/zinc/76/31/33/878763133.db2.gz RGCAWWOVFQQBAA-SFHVURJKSA-N -1 1 400.544 4.304 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)s1 ZINC000465397637 878834533 /nfs/dbraw/zinc/83/45/33/878834533.db2.gz SUINTJYUCYHDCG-UHFFFAOYSA-N -1 1 419.503 4.261 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000466287396 880031928 /nfs/dbraw/zinc/03/19/28/880031928.db2.gz JZWBJSLILQVCPH-UHFFFAOYSA-N -1 1 422.462 4.006 20 0 HIADMM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1ccccc1OC(F)F ZINC000466467286 880250405 /nfs/dbraw/zinc/25/04/05/880250405.db2.gz UPIPGBGRVDQKKU-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 ZINC000466475335 880257408 /nfs/dbraw/zinc/25/74/08/880257408.db2.gz SZFUPGDEUSKHNF-UHFFFAOYSA-N -1 1 414.483 4.361 20 0 HIADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000466477556 880260273 /nfs/dbraw/zinc/26/02/73/880260273.db2.gz NSZXNSROXWHNAV-UHFFFAOYSA-N -1 1 404.713 4.092 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1nc(C(F)(F)F)cs1 ZINC000466857094 880625773 /nfs/dbraw/zinc/62/57/73/880625773.db2.gz UJJIKLKKIVMRDF-VIFPVBQESA-N -1 1 404.357 4.009 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000466874103 880642376 /nfs/dbraw/zinc/64/23/76/880642376.db2.gz UYOXDMHZWDTCTK-SECBINFHSA-N -1 1 404.357 4.009 20 0 HIADMM O=C(NCc1cccc2cc[nH]c21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000466882490 880648953 /nfs/dbraw/zinc/64/89/53/880648953.db2.gz BSAZBPJAUPWDDI-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(CSC(C)C)c3C)cc2oc1=O ZINC000466969707 880769717 /nfs/dbraw/zinc/76/97/17/880769717.db2.gz SEIZDNHTQDMTPE-UHFFFAOYSA-N -1 1 420.556 4.365 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1 ZINC000467207032 880936220 /nfs/dbraw/zinc/93/62/20/880936220.db2.gz MRCOGAMFWCXGKQ-UHFFFAOYSA-N -1 1 409.555 4.335 20 0 HIADMM Cc1cccc(-n2cc(C(=O)CSc3nc(-c4ccccc4)c(C)c(=O)[n-]3)nn2)c1 ZINC000467208714 880937688 /nfs/dbraw/zinc/93/76/88/880937688.db2.gz TVAPBJNAZUWQET-UHFFFAOYSA-N -1 1 417.494 4.022 20 0 HIADMM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc(Br)c2cccnc12 ZINC000467287759 881033688 /nfs/dbraw/zinc/03/36/88/881033688.db2.gz DGKWETCPYZVHTK-UHFFFAOYSA-N -1 1 415.316 4.340 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c2c(O)cccc21 ZINC000469252846 883349869 /nfs/dbraw/zinc/34/98/69/883349869.db2.gz HWVWPMKUVCJVRG-MRXNPFEDSA-N -1 1 422.506 4.347 20 0 HIADMM C[C@@H]1CCC[C@H]1CC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000469508355 883760867 /nfs/dbraw/zinc/76/08/67/883760867.db2.gz KDLIMEFYSLVFOB-MJGOQNOKSA-N -1 1 400.544 4.272 20 0 HIADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1)C(F)(F)F ZINC000469907238 884095709 /nfs/dbraw/zinc/09/57/09/884095709.db2.gz MQOSPUYHENENNF-INIZCTEOSA-N -1 1 418.412 4.006 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1Br ZINC000469979019 884192414 /nfs/dbraw/zinc/19/24/14/884192414.db2.gz QEADGPAUCBXIBK-UHFFFAOYSA-N -1 1 422.304 4.039 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1Br ZINC000470443909 884841347 /nfs/dbraw/zinc/84/13/47/884841347.db2.gz BWDYSULMQRTMQX-UHFFFAOYSA-N -1 1 413.318 4.258 20 0 HIADMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)c2)n1 ZINC000470446822 884844043 /nfs/dbraw/zinc/84/40/43/884844043.db2.gz UVBCKFKUHCFYAI-UHFFFAOYSA-N -1 1 411.483 4.034 20 0 HIADMM C[C@H](CCC1CC1)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000470575298 884992364 /nfs/dbraw/zinc/99/23/64/884992364.db2.gz WAUNEJIFSFCSPY-CYBMUJFWSA-N -1 1 408.470 4.074 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000470595858 885019486 /nfs/dbraw/zinc/01/94/86/885019486.db2.gz YZBUSKWYBROYOL-UHFFFAOYSA-N -1 1 401.457 4.386 20 0 HIADMM O=C(c1ncccc1[O-])N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000470662395 885088401 /nfs/dbraw/zinc/08/84/01/885088401.db2.gz JOIBHNINSZWZJY-AWEZNQCLSA-N -1 1 420.309 4.039 20 0 HIADMM COc1ccsc1S(=O)(=O)[N-]c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000471145449 885691389 /nfs/dbraw/zinc/69/13/89/885691389.db2.gz ZLLYJNJVRBIFHN-UHFFFAOYSA-N -1 1 403.460 4.240 20 0 HIADMM Cc1ccc(NC(=O)[C@H](C)COc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000471234305 885809299 /nfs/dbraw/zinc/80/92/99/885809299.db2.gz AEOUTHMZLMYXSM-GOSISDBHSA-N -1 1 424.522 4.449 20 0 HIADMM COc1ccccc1[C@H](CC(C)C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000471467052 886154724 /nfs/dbraw/zinc/15/47/24/886154724.db2.gz HYRSCDRROKLBMP-KRWDZBQOSA-N -1 1 403.548 4.057 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)ccc1F ZINC000471592095 886303700 /nfs/dbraw/zinc/30/37/00/886303700.db2.gz BRWQDFXIPVWTHO-UHFFFAOYSA-N -1 1 422.865 4.263 20 0 HIADMM Cc1nc2c(cccc2C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)o1 ZINC000471751848 886482282 /nfs/dbraw/zinc/48/22/82/886482282.db2.gz UYFMKUDIZOGLSX-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM Cc1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471918410 886706601 /nfs/dbraw/zinc/70/66/01/886706601.db2.gz LAYJMOXAAZOSPH-OAHLLOKOSA-N -1 1 404.507 4.196 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1c[nH]c2cccc(F)c21 ZINC000471953328 886764392 /nfs/dbraw/zinc/76/43/92/886764392.db2.gz JRRGPHGVZWVRQH-UHFFFAOYSA-N -1 1 407.430 4.046 20 0 HIADMM Cc1cc2c(cc1C)[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)CO2 ZINC000472719267 887567220 /nfs/dbraw/zinc/56/72/20/887567220.db2.gz CKMGGMPTMNFKMU-OAQYLSRUSA-N -1 1 422.506 4.219 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473663628 888417256 /nfs/dbraw/zinc/41/72/56/888417256.db2.gz XBZMFRXDTSSCTG-XLIONFOSSA-N -1 1 420.488 4.077 20 0 HIADMM O=C(CCCC(=O)Nc1cc(F)cc(Cl)c1O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474443385 889309021 /nfs/dbraw/zinc/30/90/21/889309021.db2.gz DAPCGTWDFABNMN-UHFFFAOYSA-N -1 1 419.211 4.430 20 0 HIADMM COc1cc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1OCC(C)C ZINC000474489122 889350087 /nfs/dbraw/zinc/35/00/87/889350087.db2.gz AAAQOHGHSQNULI-AWEZNQCLSA-N -1 1 415.534 4.323 20 0 HIADMM C[C@@H]1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000474535104 889409388 /nfs/dbraw/zinc/40/93/88/889409388.db2.gz IIOWXXPLBLQVAM-WBVHZDCISA-N -1 1 404.507 4.069 20 0 HIADMM Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1C ZINC000474545613 889422418 /nfs/dbraw/zinc/42/24/18/889422418.db2.gz FACNZESRCGJIGJ-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1Cl ZINC000474548223 889424588 /nfs/dbraw/zinc/42/45/88/889424588.db2.gz QBUYMSGTGATXFQ-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1 ZINC000474567177 889444104 /nfs/dbraw/zinc/44/41/04/889444104.db2.gz KLXSKYDISLWTIG-UHFFFAOYSA-N -1 1 413.474 4.382 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000474638422 889500584 /nfs/dbraw/zinc/50/05/84/889500584.db2.gz ZBZSFHXOHQIRQI-UHFFFAOYSA-N -1 1 421.522 4.135 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000474653104 889517151 /nfs/dbraw/zinc/51/71/51/889517151.db2.gz ZSSCBMLGZXOKGC-UHFFFAOYSA-N -1 1 403.895 4.212 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCSC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000474663792 889527364 /nfs/dbraw/zinc/52/73/64/889527364.db2.gz YHLPSLZNFCSZCZ-ZDUSSCGKSA-N -1 1 410.948 4.141 20 0 HIADMM Cc1cccc(C)c1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000474874958 889728867 /nfs/dbraw/zinc/72/88/67/889728867.db2.gz GTTKWJOCDTYTBV-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c3ccccc3)c1)O2 ZINC000474896628 889755467 /nfs/dbraw/zinc/75/54/67/889755467.db2.gz LKXXRYBNCLWJDK-JOCHJYFZSA-N -1 1 422.506 4.128 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c(=O)[n-]1 ZINC000475150756 890016638 /nfs/dbraw/zinc/01/66/38/890016638.db2.gz NOAUXZBDINVTAF-MRXNPFEDSA-N -1 1 412.515 4.040 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccoc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000475315800 890231730 /nfs/dbraw/zinc/23/17/30/890231730.db2.gz VLARNNPBVDJYPU-UHFFFAOYSA-N -1 1 404.875 4.223 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000504726763 913463194 /nfs/dbraw/zinc/46/31/94/913463194.db2.gz VAUQMJJBRPLZQS-UHFFFAOYSA-N -1 1 400.504 4.021 20 0 HIADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000475655064 890599825 /nfs/dbraw/zinc/59/98/25/890599825.db2.gz XJGPZVAYOPOFLO-RTBURBONSA-N -1 1 418.584 4.234 20 0 HIADMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1Br ZINC000475744188 890687972 /nfs/dbraw/zinc/68/79/72/890687972.db2.gz ASOFHFIGVBVEDG-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2Br)cc1 ZINC000475791421 890731614 /nfs/dbraw/zinc/73/16/14/890731614.db2.gz POUMIADSVJMTKL-UHFFFAOYSA-N -1 1 400.294 4.047 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(-c4ccc(C)o4)ccc3C)cc21 ZINC000475819697 890752977 /nfs/dbraw/zinc/75/29/77/890752977.db2.gz STHIDKSSUOAZAI-UHFFFAOYSA-N -1 1 410.495 4.273 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(-c4ccc(C)o4)ccc3C)ccc21 ZINC000475824910 890759971 /nfs/dbraw/zinc/75/99/71/890759971.db2.gz KFKAXGNEVJFFCC-UHFFFAOYSA-N -1 1 410.495 4.273 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)ccc1F ZINC000475827328 890761191 /nfs/dbraw/zinc/76/11/91/890761191.db2.gz IQWWTNAGJNIEAM-UHFFFAOYSA-N -1 1 415.311 4.255 20 0 HIADMM Cn1c(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)nc2cccc(Cl)c21 ZINC000476188576 891119785 /nfs/dbraw/zinc/11/97/85/891119785.db2.gz HKUCDJWAVZZUHV-UHFFFAOYSA-N -1 1 410.735 4.074 20 0 HIADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000476386875 891301117 /nfs/dbraw/zinc/30/11/17/891301117.db2.gz GVCURPMVYXDWSN-IFMALSPDSA-N -1 1 400.544 4.128 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C)C(C)=O ZINC000476397280 891312887 /nfs/dbraw/zinc/31/28/87/891312887.db2.gz PEDLITKNBNGXIL-UHFFFAOYSA-N -1 1 414.449 4.183 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1Br ZINC000476425455 891337273 /nfs/dbraw/zinc/33/72/73/891337273.db2.gz VFJCJVCZFZJLPH-UHFFFAOYSA-N -1 1 400.294 4.046 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000476516279 891429766 /nfs/dbraw/zinc/42/97/66/891429766.db2.gz UYWLUBOIQULCPR-AWEZNQCLSA-N -1 1 420.444 4.248 20 0 HIADMM CC1(C)CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000476557340 891474559 /nfs/dbraw/zinc/47/45/59/891474559.db2.gz ZUFJQMGBVOMEKD-UHFFFAOYSA-N -1 1 410.898 4.295 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)c2ccccc12 ZINC000476567017 891486494 /nfs/dbraw/zinc/48/64/94/891486494.db2.gz PIPLGKRIPRXRNI-UHFFFAOYSA-N -1 1 419.300 4.362 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccc(C)c(O)c3)ccc2C)c1 ZINC000476681032 891633039 /nfs/dbraw/zinc/63/30/39/891633039.db2.gz NKKIZKLUGNNVQZ-UHFFFAOYSA-N -1 1 424.522 4.299 20 0 HIADMM CCOCCC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000477337699 892305837 /nfs/dbraw/zinc/30/58/37/892305837.db2.gz QGUUKLXCOMFKJA-UHFFFAOYSA-N -1 1 416.543 4.413 20 0 HIADMM CCOCCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCCC1 ZINC000477508075 892519664 /nfs/dbraw/zinc/51/96/64/892519664.db2.gz MPXMYDALIIBQEC-UHFFFAOYSA-N -1 1 416.543 4.413 20 0 HIADMM Cc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cs1 ZINC000477743501 892839105 /nfs/dbraw/zinc/83/91/05/892839105.db2.gz BDZPXUROWKAXBZ-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cs1 ZINC000477755397 892845899 /nfs/dbraw/zinc/84/58/99/892845899.db2.gz SPJAFAPKPNZCAX-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CC(C)N(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000477774074 892859318 /nfs/dbraw/zinc/85/93/18/892859318.db2.gz AQKKSLTWPOZGIL-UHFFFAOYSA-N -1 1 416.474 4.270 20 0 HIADMM CC(=O)N(c1nc(CN2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cs1)c1ccc(C)cc1 ZINC000477827113 892891050 /nfs/dbraw/zinc/89/10/50/892891050.db2.gz UHGXUQIZDVADGN-VDGAXYAQSA-N -1 1 413.543 4.354 20 0 HIADMM CC(C)c1ccc([C@H](NC(=O)CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)C(C)C)cc1 ZINC000477870305 892930655 /nfs/dbraw/zinc/93/06/55/892930655.db2.gz ZLDIBACKUGPGPF-BESBDSHLSA-N -1 1 400.563 4.341 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CC(C2CCCC2)C1 ZINC000477901262 892972075 /nfs/dbraw/zinc/97/20/75/892972075.db2.gz MYANKJMIGVLBNL-UHFFFAOYSA-N -1 1 420.481 4.028 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000504979048 913721920 /nfs/dbraw/zinc/72/19/20/913721920.db2.gz LBZMPDXMHWRLKU-UHFFFAOYSA-N -1 1 413.948 4.246 20 0 HIADMM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)n2)cc1 ZINC000505009008 913750330 /nfs/dbraw/zinc/75/03/30/913750330.db2.gz MPGOJIJOKYPZNQ-GFCCVEGCSA-N -1 1 411.405 4.103 20 0 HIADMM CN(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCC(C)(C)C1 ZINC000478191386 893354052 /nfs/dbraw/zinc/35/40/52/893354052.db2.gz HUDUKCMLIKNDAF-IBGZPJMESA-N -1 1 418.534 4.206 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478236225 893398841 /nfs/dbraw/zinc/39/88/41/893398841.db2.gz XDGWIAIFMFWKSY-UHFFFAOYSA-N -1 1 412.921 4.044 20 0 HIADMM CCN(CC1CCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000478321842 893552006 /nfs/dbraw/zinc/55/20/06/893552006.db2.gz IOVRKUUTCRGYJL-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CCC1(Cc2ccccc2)CCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000478325465 893558201 /nfs/dbraw/zinc/55/82/01/893558201.db2.gz VQAVAPWUVDJCAM-UHFFFAOYSA-N -1 1 420.557 4.246 20 0 HIADMM CC[C@H](C)n1ncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000478678661 893931111 /nfs/dbraw/zinc/93/11/11/893931111.db2.gz XZIVFAQRBFETJX-HNNXBMFYSA-N -1 1 412.515 4.216 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2cnn(C)c2)ccc1Br ZINC000478683275 893937291 /nfs/dbraw/zinc/93/72/91/893937291.db2.gz CSGBBCVDGOCOMT-UHFFFAOYSA-N -1 1 424.295 4.098 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2cnn(C)c2)cc1Cl ZINC000478715482 893983021 /nfs/dbraw/zinc/98/30/21/893983021.db2.gz ZEGWELKXQJWXAJ-UHFFFAOYSA-N -1 1 411.911 4.402 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2Br)c(=O)[n-]1 ZINC000478943551 894224547 /nfs/dbraw/zinc/22/45/47/894224547.db2.gz NJAZZRNCDMFRAR-UHFFFAOYSA-N -1 1 416.728 4.200 20 0 HIADMM CSCCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000479031812 894295467 /nfs/dbraw/zinc/29/54/67/894295467.db2.gz WKJHDRWSBULFFT-UHFFFAOYSA-N -1 1 424.563 4.198 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cc4c[nH]nc4cc3C)cc2)cc1 ZINC000479133489 894401943 /nfs/dbraw/zinc/40/19/43/894401943.db2.gz BTXZRAUWGREGML-UHFFFAOYSA-N -1 1 409.467 4.473 20 0 HIADMM CCOC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CCCC1 ZINC000505181654 913866803 /nfs/dbraw/zinc/86/68/03/913866803.db2.gz HXADWFPHDMKCQU-UHFFFAOYSA-N -1 1 424.469 4.053 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1Br)c1cnccc1C(F)(F)F ZINC000479138418 894408897 /nfs/dbraw/zinc/40/88/97/894408897.db2.gz WWRSAPYFMAIXST-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM C[C@H](Oc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000479140382 894409955 /nfs/dbraw/zinc/40/99/55/894409955.db2.gz DMJHOWMGOGKEIY-HNNXBMFYSA-N -1 1 414.458 4.033 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)ccc1OC(C)C ZINC000479270082 894545073 /nfs/dbraw/zinc/54/50/73/894545073.db2.gz DKFQHOGAMFNZJZ-UHFFFAOYSA-N -1 1 422.510 4.293 20 0 HIADMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1C ZINC000479287071 894566934 /nfs/dbraw/zinc/56/69/34/894566934.db2.gz SEOSRVSEJYQUFG-UHFFFAOYSA-N -1 1 415.536 4.175 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H](C)C(F)(F)F)c2)c1 ZINC000479375545 894677003 /nfs/dbraw/zinc/67/70/03/894677003.db2.gz JNOXQNHQMDSFHB-CQSZACIVSA-N -1 1 414.449 4.032 20 0 HIADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000479412316 894719506 /nfs/dbraw/zinc/71/95/06/894719506.db2.gz OYVZQXMTQDCKRL-VLIAUNLRSA-N -1 1 404.507 4.196 20 0 HIADMM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479492752 894813380 /nfs/dbraw/zinc/81/33/80/894813380.db2.gz SXWXDUBNOQKBDC-RUZDIDTESA-N -1 1 408.570 4.144 20 0 HIADMM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000479518201 894829429 /nfs/dbraw/zinc/82/94/29/894829429.db2.gz QJQCTBGXYDUBBH-UHFFFAOYSA-N -1 1 408.278 4.349 20 0 HIADMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479531526 894838699 /nfs/dbraw/zinc/83/86/99/894838699.db2.gz YCWGTLQQDIGVHS-UHFFFAOYSA-N -1 1 415.540 4.078 20 0 HIADMM CC(C)n1nccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000479830985 895151992 /nfs/dbraw/zinc/15/19/92/895151992.db2.gz PWFQKHHNEJSBFD-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM CC[C@H](C)n1nc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000479881125 895226244 /nfs/dbraw/zinc/22/62/44/895226244.db2.gz CFTYFWNHWUVUJN-HNNXBMFYSA-N -1 1 412.515 4.216 20 0 HIADMM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000479928108 895275228 /nfs/dbraw/zinc/27/52/28/895275228.db2.gz RQORHVDHBHNYNC-RNCFNFMXSA-N -1 1 424.769 4.219 20 0 HIADMM Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)sn1 ZINC000480090876 895452733 /nfs/dbraw/zinc/45/27/33/895452733.db2.gz VHVVBRMXYMVEIX-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)sn1 ZINC000480096862 895462535 /nfs/dbraw/zinc/46/25/35/895462535.db2.gz WNQIYFXRPDCFDS-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1Cl ZINC000480185241 895580450 /nfs/dbraw/zinc/58/04/50/895580450.db2.gz VRPUUZHPWRFDLX-UHFFFAOYSA-N -1 1 407.797 4.032 20 0 HIADMM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000480205719 895607260 /nfs/dbraw/zinc/60/72/60/895607260.db2.gz XBAILFIHSMDBDG-UHFFFAOYSA-N -1 1 415.433 4.088 20 0 HIADMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccccc1-c1cn[nH]c1 ZINC000480223110 895627742 /nfs/dbraw/zinc/62/77/42/895627742.db2.gz IEQGUWKZNKSOMV-UHFFFAOYSA-N -1 1 410.268 4.088 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1Cl ZINC000480246106 895656206 /nfs/dbraw/zinc/65/62/06/895656206.db2.gz KKBWHBWXQHEOCP-UHFFFAOYSA-N -1 1 423.840 4.271 20 0 HIADMM COc1cc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc(Cl)c1[O-] ZINC000480429761 895824105 /nfs/dbraw/zinc/82/41/05/895824105.db2.gz ZGGJBQWMSWVGPW-ZBFHGGJFSA-N -1 1 416.688 4.091 20 0 HIADMM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1cc(Br)sc1Cl ZINC000480725759 896087181 /nfs/dbraw/zinc/08/71/81/896087181.db2.gz DZMUEUXXZAIERJ-UHFFFAOYSA-N -1 1 417.737 4.191 20 0 HIADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000481006399 896338490 /nfs/dbraw/zinc/33/84/90/896338490.db2.gz BPDQAEIDNGAVOK-RTBURBONSA-N -1 1 422.547 4.031 20 0 HIADMM Cc1nc(-c2ccc(NCCc3cccc(OCC(F)(F)F)c3)nc2)[n-]c(=O)c1C ZINC000481036464 896362247 /nfs/dbraw/zinc/36/22/47/896362247.db2.gz MNUFVQSGDALPLU-UHFFFAOYSA-N -1 1 418.419 4.457 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000481034411 896362559 /nfs/dbraw/zinc/36/25/59/896362559.db2.gz HMONOARYFAQROP-OAHLLOKOSA-N -1 1 422.909 4.152 20 0 HIADMM CC[C@@H](CN(CC)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000481245960 896597506 /nfs/dbraw/zinc/59/75/06/896597506.db2.gz LYEGRWQCILODBG-INIZCTEOSA-N -1 1 419.547 4.114 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1OCC ZINC000481612422 896994947 /nfs/dbraw/zinc/99/49/47/896994947.db2.gz UHQKTGGXACWYLG-UHFFFAOYSA-N -1 1 402.472 4.248 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cc1-c1ncco1 ZINC000481619793 897003075 /nfs/dbraw/zinc/00/30/75/897003075.db2.gz KSZDJNRMVBSCDI-LBPRGKRZSA-N -1 1 404.875 4.428 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)nc1)c1ccccc1 ZINC000481888839 897263455 /nfs/dbraw/zinc/26/34/55/897263455.db2.gz YYGNGKTWQJRLLQ-UHFFFAOYSA-N -1 1 419.865 4.068 20 0 HIADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2SCC(F)F)cc1 ZINC000481944147 897330888 /nfs/dbraw/zinc/33/08/88/897330888.db2.gz GYGXURQGWZRZSC-UHFFFAOYSA-N -1 1 421.874 4.125 20 0 HIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1Cl ZINC000481974964 897367838 /nfs/dbraw/zinc/36/78/38/897367838.db2.gz FHAWYUGVNHHWEZ-UHFFFAOYSA-N -1 1 423.705 4.415 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1Cl ZINC000481981254 897374334 /nfs/dbraw/zinc/37/43/34/897374334.db2.gz ZVTBAYMVBASLKC-UHFFFAOYSA-N -1 1 405.863 4.118 20 0 HIADMM O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000482018272 897420483 /nfs/dbraw/zinc/42/04/83/897420483.db2.gz KYVOUSMNTSBLBB-IBGZPJMESA-N -1 1 416.449 4.224 20 0 HIADMM CSCCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000482250364 897731236 /nfs/dbraw/zinc/73/12/36/897731236.db2.gz ZGUISVJRUCYYOW-UHFFFAOYSA-N -1 1 420.600 4.367 20 0 HIADMM COc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1-c1ccn(C)n1 ZINC000482526358 898113611 /nfs/dbraw/zinc/11/36/11/898113611.db2.gz BTKDNOJUXSCQBN-UHFFFAOYSA-N -1 1 416.275 4.125 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)COc2ccccc2Br)c1 ZINC000482552042 898142236 /nfs/dbraw/zinc/14/22/36/898142236.db2.gz LTMLTEKEQMBVGU-UHFFFAOYSA-N -1 1 415.081 4.243 20 0 HIADMM COC(C)(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000482559051 898150654 /nfs/dbraw/zinc/15/06/54/898150654.db2.gz OMDMBBQXMRBBNJ-UHFFFAOYSA-N -1 1 401.488 4.036 20 0 HIADMM COc1ccc(C(=O)CCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1OC ZINC000482563093 898155963 /nfs/dbraw/zinc/15/59/63/898155963.db2.gz ZRCIKZDQMGTZFT-UHFFFAOYSA-N -1 1 422.275 4.082 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1 ZINC000482579499 898175890 /nfs/dbraw/zinc/17/58/90/898175890.db2.gz RLWYOGXLPIDVKE-UHFFFAOYSA-N -1 1 423.351 4.267 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000482715736 898316571 /nfs/dbraw/zinc/31/65/71/898316571.db2.gz YRJHBYWLTKQVFW-OAHLLOKOSA-N -1 1 406.276 4.273 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccn(C(C)C)n3)ccc2C)c1 ZINC000482812550 898423528 /nfs/dbraw/zinc/42/35/28/898423528.db2.gz XYASWPNBJNHEMY-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCSCC[C@H]3C)ccc2C)c1 ZINC000482942822 898566399 /nfs/dbraw/zinc/56/63/99/898566399.db2.gz CFKSIAXLQMWWCI-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)cc2o1 ZINC000483423094 899053489 /nfs/dbraw/zinc/05/34/89/899053489.db2.gz XOKXRLQNCPBPJZ-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM CCOc1ccc(-c2nc(CSc3nc(C(=O)OC)c[n-]3)cs2)cc1OC ZINC000484573395 900041877 /nfs/dbraw/zinc/04/18/77/900041877.db2.gz JDGJDASEIQJLLT-UHFFFAOYSA-N -1 1 405.501 4.019 20 0 HIADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1CCCC1 ZINC000505737536 914415143 /nfs/dbraw/zinc/41/51/43/914415143.db2.gz YJJUVDQUWNTIHP-CYBMUJFWSA-N -1 1 408.470 4.074 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C(F)F)CC3)ccc2C)cc1 ZINC000484731136 900157868 /nfs/dbraw/zinc/15/78/68/900157868.db2.gz WMGBWDSCQBCNND-UHFFFAOYSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1cccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1Br ZINC000484797484 900202812 /nfs/dbraw/zinc/20/28/12/900202812.db2.gz MZBTZFCQZQUZTA-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000505744612 914422203 /nfs/dbraw/zinc/42/22/03/914422203.db2.gz RROCONCOPMQJPF-LFVRLGFBSA-N -1 1 422.916 4.190 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCc3cc(-c4ccccc4)ccc32)c1 ZINC000484935222 900307137 /nfs/dbraw/zinc/30/71/37/900307137.db2.gz JRVFWEZULGBEHV-UHFFFAOYSA-N -1 1 406.507 4.236 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(Cl)c1Cl ZINC000484989425 900343888 /nfs/dbraw/zinc/34/38/88/900343888.db2.gz SVKMSZPDGMDDRA-UHFFFAOYSA-N -1 1 418.298 4.165 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)cc1 ZINC000485076931 900395277 /nfs/dbraw/zinc/39/52/77/900395277.db2.gz HRFMGXXGDBRVIG-UHFFFAOYSA-N -1 1 401.513 4.217 20 0 HIADMM COc1ccc(C[C@@H](C)C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1OC ZINC000485116069 900421218 /nfs/dbraw/zinc/42/12/18/900421218.db2.gz ZTIGNQZBHHRRKB-CYBMUJFWSA-N -1 1 406.442 4.052 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(Cl)cc2)cc1C(N)=O ZINC000485166756 900466077 /nfs/dbraw/zinc/46/60/77/900466077.db2.gz SNPLNZXFJRDRHK-UHFFFAOYSA-N -1 1 418.877 4.354 20 0 HIADMM COc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C)c(Cl)cc1C(=O)[O-] ZINC000485268593 900549762 /nfs/dbraw/zinc/54/97/62/900549762.db2.gz HFYCWNJKCWTNBQ-UHFFFAOYSA-N -1 1 423.796 4.175 20 0 HIADMM CC(C)Oc1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000485293877 900571700 /nfs/dbraw/zinc/57/17/00/900571700.db2.gz VCOXRGHNMSBJFB-UHFFFAOYSA-N -1 1 421.368 4.131 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc2c1CN(c1nccs1)C2 ZINC000485384958 900680362 /nfs/dbraw/zinc/68/03/62/900680362.db2.gz HKORROODWUNTNE-UHFFFAOYSA-N -1 1 403.504 4.220 20 0 HIADMM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000485549193 900824388 /nfs/dbraw/zinc/82/43/88/900824388.db2.gz KCJLLHIGVYSSNS-QGZVFWFLSA-N -1 1 406.548 4.182 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCCCCC(=O)C1 ZINC000485657831 900908974 /nfs/dbraw/zinc/90/89/74/900908974.db2.gz BUAOETOGQIGIAR-OAHLLOKOSA-N -1 1 418.490 4.105 20 0 HIADMM Cc1cc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc(C)c1F ZINC000485816141 901064798 /nfs/dbraw/zinc/06/47/98/901064798.db2.gz IXZPEVRZAFAJAJ-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(-c2cccs2)c1 ZINC000505860805 914507231 /nfs/dbraw/zinc/50/72/31/914507231.db2.gz PISNHXTXNNIKHW-UHFFFAOYSA-N -1 1 402.479 4.462 20 0 HIADMM O=S(=O)([N-]CCc1c[nH]c2ccc(Cl)cc12)c1sccc1Br ZINC000485877333 901114454 /nfs/dbraw/zinc/11/44/54/901114454.db2.gz RLNCVFBZPLGWKX-UHFFFAOYSA-N -1 1 419.753 4.166 20 0 HIADMM CCc1cc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1O ZINC000486097884 901285387 /nfs/dbraw/zinc/28/53/87/901285387.db2.gz ZSOONSQVOJRNFM-UHFFFAOYSA-N -1 1 424.522 4.028 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1)C1CCC1 ZINC000486111943 901298142 /nfs/dbraw/zinc/29/81/42/901298142.db2.gz WZAOUJWZPPGYJD-UHFFFAOYSA-N -1 1 412.280 4.372 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCCOCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000486372443 901539103 /nfs/dbraw/zinc/53/91/03/901539103.db2.gz HCPWAWKUXUQEBH-HNNXBMFYSA-N -1 1 422.934 4.204 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cn3ccc(C)cc3n2)cc1 ZINC000486719795 901811591 /nfs/dbraw/zinc/81/15/91/901811591.db2.gz DQZHUAROOOWDDP-UHFFFAOYSA-N -1 1 407.495 4.257 20 0 HIADMM CCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)CC1 ZINC000486828871 901879979 /nfs/dbraw/zinc/87/99/79/901879979.db2.gz VQYCQPIYPDZUKB-UHFFFAOYSA-N -1 1 423.332 4.379 20 0 HIADMM CCOC(=O)c1ccn(-c2ccccc2NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000486931603 901974250 /nfs/dbraw/zinc/97/42/50/901974250.db2.gz YQVGUZXQNRLNDG-UHFFFAOYSA-N -1 1 400.822 4.052 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000487578815 902247063 /nfs/dbraw/zinc/24/70/63/902247063.db2.gz UNFYOQOLSLZHQG-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM O=C1CSc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)cc2N1 ZINC000488226000 902705097 /nfs/dbraw/zinc/70/50/97/902705097.db2.gz BSAODIVOPLYLRX-UHFFFAOYSA-N -1 1 422.837 4.204 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)c2ccoc2C)c1 ZINC000488239219 902714090 /nfs/dbraw/zinc/71/40/90/902714090.db2.gz YOZNPDYFOIFYPU-UHFFFAOYSA-N -1 1 402.447 4.343 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000488275743 902740443 /nfs/dbraw/zinc/74/04/43/902740443.db2.gz BEABWJHZQGTFPJ-UHFFFAOYSA-N -1 1 406.507 4.253 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1Br ZINC000488333432 902769916 /nfs/dbraw/zinc/76/99/16/902769916.db2.gz CQCRXVPNHWPSJQ-UHFFFAOYSA-N -1 1 407.289 4.197 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCC(F)(F)C3)ccc2C)cc1 ZINC000488933256 903084129 /nfs/dbraw/zinc/08/41/29/903084129.db2.gz ASBJPMHUFKNELR-GOSISDBHSA-N -1 1 422.497 4.412 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c(Cl)c1 ZINC000489731135 903564849 /nfs/dbraw/zinc/56/48/49/903564849.db2.gz ABNGSQKZVTZSGA-UHFFFAOYSA-N -1 1 422.821 4.165 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)c(Cl)c1 ZINC000489746200 903572574 /nfs/dbraw/zinc/57/25/74/903572574.db2.gz OJFLJUIYALDJIM-UHFFFAOYSA-N -1 1 421.858 4.149 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc([C@@H]4C[C@H]4C)[nH]n3)cc2)c1C ZINC000490258354 903857878 /nfs/dbraw/zinc/85/78/78/903857878.db2.gz LXKUTLPQVYKYQR-RDTXWAMCSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([C@H]4C[C@H]4C)[nH]n3)cc2)cc1C ZINC000490277733 903871390 /nfs/dbraw/zinc/87/13/90/903871390.db2.gz VKWIPLSJIKCRCO-BEFAXECRSA-N -1 1 424.526 4.203 20 0 HIADMM COc1cc(NC(=O)C/C=C\c2ccc(C(C)C)cc2)ccc1[N-]S(C)(=O)=O ZINC000491443628 904598495 /nfs/dbraw/zinc/59/84/95/904598495.db2.gz HKTWYNVMZYSQFP-WAYWQWQTSA-N -1 1 402.516 4.232 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000491582109 904662318 /nfs/dbraw/zinc/66/23/18/904662318.db2.gz UGDZZTYKMBOCRA-IBGZPJMESA-N -1 1 408.527 4.156 20 0 HIADMM COc1ccccc1[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccco1 ZINC000492034309 904768556 /nfs/dbraw/zinc/76/85/56/904768556.db2.gz PXHKOGUVGUSUKZ-SFHVURJKSA-N -1 1 402.244 4.276 20 0 HIADMM COc1cc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)ccc1[N-]S(C)(=O)=O ZINC000492310191 904832906 /nfs/dbraw/zinc/83/29/06/904832906.db2.gz QFOUMHUORDZGDW-UHFFFAOYSA-N -1 1 419.547 4.243 20 0 HIADMM CCOc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1Br ZINC000506265755 914872082 /nfs/dbraw/zinc/87/20/82/914872082.db2.gz YVASZGKBYQCYHC-UHFFFAOYSA-N -1 1 414.259 4.054 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC(C)(C)C3)cc2)cc1 ZINC000494372684 905669360 /nfs/dbraw/zinc/66/93/60/905669360.db2.gz ZZOVAKPCLJHAIJ-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1ncnc2sc(C)c(C)c21)c1nc(C)cs1 ZINC000495319536 906373927 /nfs/dbraw/zinc/37/39/27/906373927.db2.gz PTFKOHOSSSVDLY-AWEZNQCLSA-N -1 1 421.569 4.081 20 0 HIADMM Cc1nc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cs1 ZINC000495466868 906468579 /nfs/dbraw/zinc/46/85/79/906468579.db2.gz VTEOPAONIMQJQI-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1ccc(F)c2ncccc12 ZINC000512569667 921242390 /nfs/dbraw/zinc/24/23/90/921242390.db2.gz UJVXLBZTFGXTMI-UHFFFAOYSA-N -1 1 400.353 4.116 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2C(F)(F)F)cc1C ZINC000512578584 921247147 /nfs/dbraw/zinc/24/71/47/921247147.db2.gz RQGUGJZXRUGNEO-UHFFFAOYSA-N -1 1 416.421 4.090 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1Cl ZINC000512631901 921268674 /nfs/dbraw/zinc/26/86/74/921268674.db2.gz UQROICPNOZBHRG-UHFFFAOYSA-N -1 1 424.950 4.248 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c(C)c1 ZINC000497198373 906819271 /nfs/dbraw/zinc/81/92/71/906819271.db2.gz KNWWGJSXDVKQLH-UHFFFAOYSA-N -1 1 402.472 4.021 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])C(C1CC1)C1CC1 ZINC000512675154 921284214 /nfs/dbraw/zinc/28/42/14/921284214.db2.gz FHBULBHFOTZXEA-UHFFFAOYSA-N -1 1 420.918 4.221 20 0 HIADMM COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2n[nH]c3cc(C(=O)[O-])ccc32)c1 ZINC000497839343 907319649 /nfs/dbraw/zinc/31/96/49/907319649.db2.gz KDXNISAROIJNMH-OAQYLSRUSA-N -1 1 414.421 4.041 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)ccc2C)c1 ZINC000498078193 907587616 /nfs/dbraw/zinc/58/76/16/907587616.db2.gz PSRFCAIBSZQBCP-IAGOWNOFSA-N -1 1 414.527 4.048 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOc4ccccc43)ccc2C)c1 ZINC000512835243 921339097 /nfs/dbraw/zinc/33/90/97/921339097.db2.gz UWPZFVOJOHGUFH-UHFFFAOYSA-N -1 1 422.506 4.143 20 0 HIADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498200343 907732646 /nfs/dbraw/zinc/73/26/46/907732646.db2.gz IOLBLDVUNTYXPF-JXFKEZNVSA-N -1 1 402.516 4.021 20 0 HIADMM Cc1csc([C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)n1 ZINC000498219215 907747901 /nfs/dbraw/zinc/74/79/01/907747901.db2.gz PORKFISIYYVQLL-CQSZACIVSA-N -1 1 416.528 4.135 20 0 HIADMM CCSc1nnc([N-]C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)s1 ZINC000498288282 907820581 /nfs/dbraw/zinc/82/05/81/907820581.db2.gz ZQHNJVIMZPWQAX-UHFFFAOYSA-N -1 1 408.940 4.260 20 0 HIADMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000498397695 907880513 /nfs/dbraw/zinc/88/05/13/907880513.db2.gz ROBQBVMXKNUMLS-UHFFFAOYSA-N -1 1 413.326 4.339 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000498406752 907885382 /nfs/dbraw/zinc/88/53/82/907885382.db2.gz DDAXEACOGJSLCJ-AUUYWEPGSA-N -1 1 404.507 4.243 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)cc1C ZINC000498432394 907899028 /nfs/dbraw/zinc/89/90/28/907899028.db2.gz CMBXTQDMMUNNOD-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1Oc1ccc(C)nn1 ZINC000498480029 907951055 /nfs/dbraw/zinc/95/10/55/907951055.db2.gz FGGWSHJINHDCFM-UHFFFAOYSA-N -1 1 405.863 4.040 20 0 HIADMM Cc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)cs1 ZINC000512886527 921380708 /nfs/dbraw/zinc/38/07/08/921380708.db2.gz IZPMZEUBYNACFP-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM O=C(COc1cccc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)c1)NC1CC1 ZINC000498763682 908186644 /nfs/dbraw/zinc/18/66/44/908186644.db2.gz NGHZSDPZYLIGFT-UHFFFAOYSA-N -1 1 411.461 4.327 20 0 HIADMM C[C@@H]1CC[C@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H](C)C1 ZINC000499138596 908495759 /nfs/dbraw/zinc/49/57/59/908495759.db2.gz GGPPCPNPVPNZLF-ZOCZFRKYSA-N -1 1 418.534 4.110 20 0 HIADMM Cc1ccc(Sc2nsc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)n2)cc1 ZINC000499172129 908523050 /nfs/dbraw/zinc/52/30/50/908523050.db2.gz CJAFBBKVTQREKK-UHFFFAOYSA-N -1 1 421.507 4.204 20 0 HIADMM CCCN(CC(C)C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000499654373 908865854 /nfs/dbraw/zinc/86/58/54/908865854.db2.gz CIIOTNRPYKTMFQ-UHFFFAOYSA-N -1 1 418.559 4.394 20 0 HIADMM CCCc1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)nn1-c1ccccc1Cl ZINC000499723764 908891292 /nfs/dbraw/zinc/89/12/92/908891292.db2.gz QCEGNURPFVPBER-UHFFFAOYSA-N -1 1 404.927 4.275 20 0 HIADMM CC(C)Oc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000499975391 909418988 /nfs/dbraw/zinc/41/89/88/909418988.db2.gz VDQFEFZUHVOSTL-UHFFFAOYSA-N -1 1 424.522 4.456 20 0 HIADMM CC(C)C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000500155544 909636840 /nfs/dbraw/zinc/63/68/40/909636840.db2.gz JWQWGICWTAQFTA-LJQANCHMSA-N -1 1 404.507 4.277 20 0 HIADMM CC(C)C[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000500179795 909672437 /nfs/dbraw/zinc/67/24/37/909672437.db2.gz LNCXRFFJZRNCDF-KRWDZBQOSA-N -1 1 422.497 4.416 20 0 HIADMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000500372002 909820981 /nfs/dbraw/zinc/82/09/81/909820981.db2.gz HQDMTAWMJLPLHF-UHFFFAOYSA-N -1 1 412.433 4.015 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3csc(-c4ccccc4)n3)CCCCCC2)no1 ZINC000500446618 909864238 /nfs/dbraw/zinc/86/42/38/909864238.db2.gz MWVNSWYJQSMUAB-UHFFFAOYSA-N -1 1 418.544 4.030 20 0 HIADMM O=C(NC1CC(c2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000500954082 910204346 /nfs/dbraw/zinc/20/43/46/910204346.db2.gz KEWWAYGURLZRLI-UHFFFAOYSA-N -1 1 424.497 4.303 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000501618771 910718746 /nfs/dbraw/zinc/71/87/46/910718746.db2.gz USHYUQIVIHBDTJ-ZBFHGGJFSA-N -1 1 404.507 4.053 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2C(F)(F)F)c(C)c1 ZINC000501856174 910887197 /nfs/dbraw/zinc/88/71/97/910887197.db2.gz DTKXWDDLSDPPCL-UHFFFAOYSA-N -1 1 416.421 4.172 20 0 HIADMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000501862354 910891838 /nfs/dbraw/zinc/89/18/38/910891838.db2.gz PSDJTHCHRZYNDO-UHFFFAOYSA-N -1 1 415.327 4.074 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](C)C[C@H](C)C3)c2)cc1 ZINC000502218404 911160158 /nfs/dbraw/zinc/16/01/58/911160158.db2.gz HTHHTKICHQLKFA-IRXDYDNUSA-N -1 1 416.543 4.004 20 0 HIADMM CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000502346054 911324639 /nfs/dbraw/zinc/32/46/39/911324639.db2.gz NOPGYLAYVNZVBP-INIZCTEOSA-N -1 1 419.616 4.449 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000502352632 911332853 /nfs/dbraw/zinc/33/28/53/911332853.db2.gz IJRRTPBKUOADSE-DLBZAZTESA-N -1 1 416.543 4.004 20 0 HIADMM O=S(=O)([N-][C@H]1CCCc2occc21)c1c(Cl)cc(F)cc1Br ZINC000502449851 911436641 /nfs/dbraw/zinc/43/66/41/911436641.db2.gz GOXXKIBPTDBQQY-LBPRGKRZSA-N -1 1 408.676 4.191 20 0 HIADMM C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000502780532 911803765 /nfs/dbraw/zinc/80/37/65/911803765.db2.gz FMZNRTJTSAXDDG-HLIPFELVSA-N -1 1 415.559 4.111 20 0 HIADMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cn2ccnc12 ZINC000502827883 911841527 /nfs/dbraw/zinc/84/15/27/911841527.db2.gz FXESBPMAFBKPFA-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM CCC[C@@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000502911942 911899139 /nfs/dbraw/zinc/89/91/39/911899139.db2.gz KSFWYBNNXPWGRS-QFBILLFUSA-N -1 1 402.516 4.021 20 0 HIADMM CCC[C@H]1C[C@H](C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000502927559 911913358 /nfs/dbraw/zinc/91/33/58/911913358.db2.gz CQJSGXXAHRFPIZ-MJGOQNOKSA-N -1 1 416.543 4.330 20 0 HIADMM CCC[C@@H]1C[C@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000502933087 911919721 /nfs/dbraw/zinc/91/97/21/911919721.db2.gz ZJRQSADNBCXLTK-VQIMIIECSA-N -1 1 402.516 4.021 20 0 HIADMM C[C@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@H]1n1ccnc1 ZINC000503074737 912043138 /nfs/dbraw/zinc/04/31/38/912043138.db2.gz RFYUMYJGKHTHPT-KBXCAEBGSA-N -1 1 423.517 4.070 20 0 HIADMM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000503188967 912165627 /nfs/dbraw/zinc/16/56/27/912165627.db2.gz DEZURQYPTHQLBH-UHFFFAOYSA-N -1 1 418.906 4.108 20 0 HIADMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)ccc2o1 ZINC000513368536 921741646 /nfs/dbraw/zinc/74/16/46/921741646.db2.gz WNDHPKBVMSYSLQ-UHFFFAOYSA-N -1 1 417.336 4.178 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCC(OC(F)F)CC1 ZINC000506464904 915063498 /nfs/dbraw/zinc/06/34/98/915063498.db2.gz FFCXMIQPLJFRDL-UHFFFAOYSA-N -1 1 424.469 4.224 20 0 HIADMM CCOC[C@@H]1CCC[N@@H+](Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000506473837 915071522 /nfs/dbraw/zinc/07/15/22/915071522.db2.gz JQNLWSYTDQPCEN-CQSZACIVSA-N -1 1 401.507 4.039 20 0 HIADMM CCOC[C@@H]1CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000506473837 915071542 /nfs/dbraw/zinc/07/15/42/915071542.db2.gz JQNLWSYTDQPCEN-CQSZACIVSA-N -1 1 401.507 4.039 20 0 HIADMM Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506651901 915323105 /nfs/dbraw/zinc/32/31/05/915323105.db2.gz CCDOOMCRBQGYPM-UHFFFAOYSA-N -1 1 415.536 4.007 20 0 HIADMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000506719796 915398410 /nfs/dbraw/zinc/39/84/10/915398410.db2.gz PHFPNSLRZQCDFP-MRXNPFEDSA-N -1 1 410.495 4.128 20 0 HIADMM CNC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1F ZINC000507582018 916336368 /nfs/dbraw/zinc/33/63/68/916336368.db2.gz WANQHNCNPCAKTC-UHFFFAOYSA-N -1 1 405.495 4.426 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c1 ZINC000507598298 916352355 /nfs/dbraw/zinc/35/23/55/916352355.db2.gz HJSOMSKSTLAHPN-UHFFFAOYSA-N -1 1 412.439 4.130 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)C[C@@H]1C=CCC1 ZINC000507668320 916432785 /nfs/dbraw/zinc/43/27/85/916432785.db2.gz HKPLNMHUVZXNSI-CQSZACIVSA-N -1 1 420.918 4.444 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000507862358 916694775 /nfs/dbraw/zinc/69/47/75/916694775.db2.gz VCEDQKMCVWDZHG-UHFFFAOYSA-N -1 1 419.102 4.096 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)c1 ZINC000507910135 916783170 /nfs/dbraw/zinc/78/31/70/916783170.db2.gz VGVLRZUXKWZBII-UHFFFAOYSA-N -1 1 415.433 4.088 20 0 HIADMM Cc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnn1-c1cc(C)ccc1C ZINC000507980100 916826687 /nfs/dbraw/zinc/82/66/87/916826687.db2.gz QZURTXJNSPOCJR-UHFFFAOYSA-N -1 1 402.520 4.025 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1cncc(Br)c1 ZINC000507981544 916827402 /nfs/dbraw/zinc/82/74/02/916827402.db2.gz CAHPYTIYVHUKLA-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccco1 ZINC000508021566 916857059 /nfs/dbraw/zinc/85/70/59/916857059.db2.gz FXMCMQNHHGTYFZ-OAHLLOKOSA-N -1 1 409.401 4.130 20 0 HIADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000508213219 917030266 /nfs/dbraw/zinc/03/02/66/917030266.db2.gz CHFAGARCIROIEY-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)COC4)c2)c1 ZINC000508416945 917204664 /nfs/dbraw/zinc/20/46/64/917204664.db2.gz IYJMUDMBFGMOBU-UHFFFAOYSA-N -1 1 422.506 4.387 20 0 HIADMM CC[C@@H]1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCO1 ZINC000508523507 917307568 /nfs/dbraw/zinc/30/75/68/917307568.db2.gz XHESWSVGJSDWRN-YLJYHZDGSA-N -1 1 416.543 4.248 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000509090742 917832251 /nfs/dbraw/zinc/83/22/51/917832251.db2.gz SLYKTIQJXGUJSF-RUZDIDTESA-N -1 1 405.463 4.002 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000509175130 917888086 /nfs/dbraw/zinc/88/80/86/917888086.db2.gz XJPBRHLNGDRXIG-OAHLLOKOSA-N -1 1 423.694 4.051 20 0 HIADMM O=C(c1oc2ccccc2c1COc1ccccc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509292625 917973553 /nfs/dbraw/zinc/97/35/53/917973553.db2.gz ACYIEDFMTLDAMY-UHFFFAOYSA-N -1 1 419.437 4.120 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000509339303 918006126 /nfs/dbraw/zinc/00/61/26/918006126.db2.gz VLJSAHSIXWDSNW-FGZHOGPDSA-N -1 1 416.525 4.328 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000509339306 918006914 /nfs/dbraw/zinc/00/69/14/918006914.db2.gz VLJSAHSIXWDSNW-YADHBBJMSA-N -1 1 416.525 4.328 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)cc1OC ZINC000509372617 918037775 /nfs/dbraw/zinc/03/77/75/918037775.db2.gz ARFQAGRIISZLQW-UHFFFAOYSA-N -1 1 402.447 4.014 20 0 HIADMM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4ncccc4c3)c2)cn1 ZINC000509397391 918064327 /nfs/dbraw/zinc/06/43/27/918064327.db2.gz SSPFCPGSACGXAI-UHFFFAOYSA-N -1 1 405.479 4.415 20 0 HIADMM CC[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c(C)noc1C ZINC000509418669 918078755 /nfs/dbraw/zinc/07/87/55/918078755.db2.gz SHXRJOLYYCTKKN-IBGZPJMESA-N -1 1 413.499 4.225 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC1(c2ccccc2)CCCC1 ZINC000509512079 918158784 /nfs/dbraw/zinc/15/87/84/918158784.db2.gz ZQZZAZCWJPOIQE-UHFFFAOYSA-N -1 1 416.525 4.113 20 0 HIADMM CCCc1nc(C(=O)[N-]c2nnc(-c3cc(Br)ccc3F)s2)co1 ZINC000509543040 918192952 /nfs/dbraw/zinc/19/29/52/918192952.db2.gz SJTGYWOJVSJJSH-UHFFFAOYSA-N -1 1 411.256 4.300 20 0 HIADMM CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000509567121 918215644 /nfs/dbraw/zinc/21/56/44/918215644.db2.gz IBIILRWSZZBBKB-UHFFFAOYSA-N -1 1 412.458 4.149 20 0 HIADMM CCN(CC)[C@@H](CN=c1nc([C@@H](C)OC)[n-]s1)c1ccc(C(F)(F)F)cc1 ZINC000509642797 918282370 /nfs/dbraw/zinc/28/23/70/918282370.db2.gz ZJSCUFZYOJIZLI-DOMZBBRYSA-N -1 1 402.486 4.181 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1OCC(C)C ZINC000509736105 918357875 /nfs/dbraw/zinc/35/78/75/918357875.db2.gz HZXQEHXWWAUCAV-UHFFFAOYSA-N -1 1 406.486 4.159 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000509985178 918571721 /nfs/dbraw/zinc/57/17/21/918571721.db2.gz VDGLBASCODZYSU-ZDUSSCGKSA-N -1 1 420.339 4.197 20 0 HIADMM Cc1cnc([C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C2CC2)s1 ZINC000510324025 918832063 /nfs/dbraw/zinc/83/20/63/918832063.db2.gz PGEUVHSUPOTGLH-GFCCVEGCSA-N -1 1 421.769 4.297 20 0 HIADMM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000510849500 919336447 /nfs/dbraw/zinc/33/64/47/919336447.db2.gz AFHMNHXWZFPBCK-UHFFFAOYSA-N -1 1 423.469 4.289 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000511005580 919566083 /nfs/dbraw/zinc/56/60/83/919566083.db2.gz RRCFEPURVYWMIR-JOCHJYFZSA-N -1 1 418.522 4.202 20 0 HIADMM CCN(C(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)c1ccccc1 ZINC000511129865 919744036 /nfs/dbraw/zinc/74/40/36/919744036.db2.gz JGWVGXMHJWUSKC-UHFFFAOYSA-N -1 1 412.486 4.222 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)nc2)c2ccccc12 ZINC000511201726 919815183 /nfs/dbraw/zinc/81/51/83/919815183.db2.gz FBRRIGUIJCCJHK-UHFFFAOYSA-N -1 1 422.510 4.237 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccsc3)cc2)cc1C ZINC000511238019 919841769 /nfs/dbraw/zinc/84/17/69/919841769.db2.gz CRVPIRIIRVDJKB-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1Cl ZINC000511244894 919845360 /nfs/dbraw/zinc/84/53/60/919845360.db2.gz WSGHJLKENXZXCF-UHFFFAOYSA-N -1 1 424.950 4.376 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCC2=CCCC2)cc1 ZINC000511245282 919845694 /nfs/dbraw/zinc/84/56/94/919845694.db2.gz BIUCPNRZDIAHNM-UHFFFAOYSA-N -1 1 402.491 4.165 20 0 HIADMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1cc(Br)ccc1Cl ZINC000511386718 919990167 /nfs/dbraw/zinc/99/01/67/919990167.db2.gz VDLBRIIRFAFFIS-UHFFFAOYSA-N -1 1 406.651 4.113 20 0 HIADMM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000511872526 920603027 /nfs/dbraw/zinc/60/30/27/920603027.db2.gz MFLOPNNSVFECQQ-ZETCQYMHSA-N -1 1 402.271 4.079 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)n[nH]1 ZINC000511891210 920627328 /nfs/dbraw/zinc/62/73/28/920627328.db2.gz ZEDALWHKPVTJDR-UHFFFAOYSA-N -1 1 416.812 4.253 20 0 HIADMM CN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000512018984 920793162 /nfs/dbraw/zinc/79/31/62/920793162.db2.gz TZNRWJBGGLZZQF-YOEHRIQHSA-N -1 1 418.419 4.101 20 0 HIADMM CC1(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCCCCC1 ZINC000512029584 920802138 /nfs/dbraw/zinc/80/21/38/920802138.db2.gz WKWBDWHHVQPNPN-UHFFFAOYSA-N -1 1 400.544 4.464 20 0 HIADMM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512086656 920850278 /nfs/dbraw/zinc/85/02/78/920850278.db2.gz CGTAWTQVIFHWHP-AWEZNQCLSA-N -1 1 421.526 4.247 20 0 HIADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000513554116 921890067 /nfs/dbraw/zinc/89/00/67/921890067.db2.gz PPQNTUONLPYCJL-NRFANRHFSA-N -1 1 416.525 4.027 20 0 HIADMM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000513720481 922041264 /nfs/dbraw/zinc/04/12/64/922041264.db2.gz LFVZVRHZJYKOGV-VQIMIIECSA-N -1 1 402.516 4.021 20 0 HIADMM CC[C@@H]1C[C@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513728622 922047925 /nfs/dbraw/zinc/04/79/25/922047925.db2.gz BBNZTWQCXUNKRI-VQIMIIECSA-N -1 1 402.516 4.021 20 0 HIADMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cc(-c2cccnc2)on1 ZINC000514062953 922387452 /nfs/dbraw/zinc/38/74/52/922387452.db2.gz OJHRPQHXPMEVFY-UHFFFAOYSA-N -1 1 407.499 4.308 20 0 HIADMM Cc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000514140394 922474172 /nfs/dbraw/zinc/47/41/72/922474172.db2.gz OQLCPTADQOIVQT-SFHVURJKSA-N -1 1 408.527 4.219 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc(Cl)c1[O-] ZINC000514347531 922602214 /nfs/dbraw/zinc/60/22/14/922602214.db2.gz FJUZZVLHHNCVMU-MRXNPFEDSA-N -1 1 405.878 4.439 20 0 HIADMM CCc1nc2ccccc2n1CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000514752335 922782896 /nfs/dbraw/zinc/78/28/96/922782896.db2.gz QWLIOTBGCZSQNT-UHFFFAOYSA-N -1 1 408.683 4.359 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1C2CCC1CC2 ZINC000514770926 922796024 /nfs/dbraw/zinc/79/60/24/922796024.db2.gz TYLKVZVZBIXFFA-UHFFFAOYSA-N -1 1 408.882 4.047 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)cn2)n1 ZINC000514804713 922806536 /nfs/dbraw/zinc/80/65/36/922806536.db2.gz QYMDENVIVTZTGS-UHFFFAOYSA-N -1 1 416.506 4.256 20 0 HIADMM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000515201608 922989030 /nfs/dbraw/zinc/98/90/30/922989030.db2.gz VIUGMBOIDGOISL-UHFFFAOYSA-N -1 1 421.478 4.225 20 0 HIADMM CCOc1cc(C(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cc(Cl)c1[O-] ZINC000515334359 923057654 /nfs/dbraw/zinc/05/76/54/923057654.db2.gz PMYAPICSWTVMNN-UHFFFAOYSA-N -1 1 415.820 4.327 20 0 HIADMM CCCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000515563771 923181120 /nfs/dbraw/zinc/18/11/20/923181120.db2.gz OWVBMCPCKKANRN-UHFFFAOYSA-N -1 1 424.522 4.206 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)cc1Cl ZINC000515651500 923243771 /nfs/dbraw/zinc/24/37/71/923243771.db2.gz ROJIKQCCIOLDQF-UHFFFAOYSA-N -1 1 406.935 4.465 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1 ZINC000515692978 923276486 /nfs/dbraw/zinc/27/64/86/923276486.db2.gz KSAOXLQACOSCAX-UHFFFAOYSA-N -1 1 422.506 4.193 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc4c3OCO4)ccc2C)c1 ZINC000515765557 923335618 /nfs/dbraw/zinc/33/56/18/923335618.db2.gz FELULQHBWMDEDR-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)c1 ZINC000515847176 923391296 /nfs/dbraw/zinc/39/12/96/923391296.db2.gz DVTRBDXUOMTWRJ-UHFFFAOYSA-N -1 1 414.527 4.095 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC000516194209 923591512 /nfs/dbraw/zinc/59/15/12/923591512.db2.gz VPEQPQSVXHGQSN-LBPRGKRZSA-N -1 1 419.761 4.452 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000517097664 923995630 /nfs/dbraw/zinc/99/56/30/923995630.db2.gz SBIVUHYKSSIEAB-UHFFFAOYSA-N -1 1 408.502 4.082 20 0 HIADMM O=S(=O)([N-]c1ccc(Cn2cnc3ccccc32)cc1)c1cccc2cnccc21 ZINC000517608945 926717127 /nfs/dbraw/zinc/71/71/27/926717127.db2.gz LDWFNIKAHDLTKP-UHFFFAOYSA-N -1 1 414.490 4.434 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3OC)c2)c1C ZINC000517689185 926793373 /nfs/dbraw/zinc/79/33/73/926793373.db2.gz VCVPCWHRHSADOW-UHFFFAOYSA-N -1 1 411.479 4.258 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(CC)CC)c2)cc1 ZINC000517874451 926871152 /nfs/dbraw/zinc/87/11/52/926871152.db2.gz VOUUMLMZYHLSBO-UHFFFAOYSA-N -1 1 404.532 4.052 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)cc1OC ZINC000517896926 926880155 /nfs/dbraw/zinc/88/01/55/926880155.db2.gz GUDQZPFRPCWFAR-UHFFFAOYSA-N -1 1 405.501 4.013 20 0 HIADMM CC[C@@H](NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)(C)C ZINC000517937755 926897034 /nfs/dbraw/zinc/89/70/34/926897034.db2.gz CRBADWDPOIIEBH-HXUWFJFHSA-N -1 1 417.575 4.454 20 0 HIADMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000518421493 927258709 /nfs/dbraw/zinc/25/87/09/927258709.db2.gz DYBRJAQOFSSQBK-UHFFFAOYSA-N -1 1 422.506 4.438 20 0 HIADMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000518564788 927348822 /nfs/dbraw/zinc/34/88/22/927348822.db2.gz OHDLOSVWPJOUIF-UHFFFAOYSA-N -1 1 415.536 4.175 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000518687779 927433587 /nfs/dbraw/zinc/43/35/87/927433587.db2.gz CQZXMMNKJKDGER-UHFFFAOYSA-N -1 1 417.494 4.247 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H]3C(C)C)c2)cc1F ZINC000518772012 927484462 /nfs/dbraw/zinc/48/44/62/927484462.db2.gz HXRQSYIOMLBMFV-FQEVSTJZSA-N -1 1 404.507 4.196 20 0 HIADMM CN(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCCC1 ZINC000518917732 927625775 /nfs/dbraw/zinc/62/57/75/927625775.db2.gz NPQXZGDAAARMOR-UHFFFAOYSA-N -1 1 418.534 4.350 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1 ZINC000519059115 927735705 /nfs/dbraw/zinc/73/57/05/927735705.db2.gz IAUAAWVNBBZBLI-MRXNPFEDSA-N -1 1 416.543 4.067 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(CC)CC)cc2)cc1 ZINC000519116758 927786226 /nfs/dbraw/zinc/78/62/26/927786226.db2.gz ZBRYHYAAWKIMCO-UHFFFAOYSA-N -1 1 404.532 4.052 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1 ZINC000519120718 927787403 /nfs/dbraw/zinc/78/74/03/927787403.db2.gz NKBPWYWLNUUCQA-UHFFFAOYSA-N -1 1 424.238 4.499 20 0 HIADMM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000519123202 927789607 /nfs/dbraw/zinc/78/96/07/927789607.db2.gz HTNRISWLVBCPSP-OAHLLOKOSA-N -1 1 406.935 4.464 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc4c(c3)COC4)n2)cc(Br)c1[O-] ZINC000519726407 928060377 /nfs/dbraw/zinc/06/03/77/928060377.db2.gz SGOIIBLEYNKIOH-UHFFFAOYSA-N -1 1 417.259 4.224 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)CC3)cc2)c1 ZINC000519874767 928108080 /nfs/dbraw/zinc/10/80/80/928108080.db2.gz DVVKVRKQDXLVKE-MRXNPFEDSA-N -1 1 400.544 4.366 20 0 HIADMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000519976830 928202134 /nfs/dbraw/zinc/20/21/34/928202134.db2.gz IUXPUPBQAOWNQM-MRXNPFEDSA-N -1 1 412.486 4.444 20 0 HIADMM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000519994624 928221776 /nfs/dbraw/zinc/22/17/76/928221776.db2.gz HSSPRXIEFIKXLH-UHFFFAOYSA-N -1 1 424.522 4.205 20 0 HIADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000519993922 928221808 /nfs/dbraw/zinc/22/18/08/928221808.db2.gz BFGRFQUYFDNWQZ-UHFFFAOYSA-N -1 1 411.479 4.161 20 0 HIADMM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000520017819 928242582 /nfs/dbraw/zinc/24/25/82/928242582.db2.gz RITYZPPHTPNGCH-KRWDZBQOSA-N -1 1 412.555 4.299 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc4nc(C5CC5)sc4c3)ccc2N1 ZINC000520078263 928298248 /nfs/dbraw/zinc/29/82/48/928298248.db2.gz MPGXPLRQMYMCIK-UHFFFAOYSA-N -1 1 413.524 4.249 20 0 HIADMM CC[C@@H]1c2ccsc2CCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000520132896 928329557 /nfs/dbraw/zinc/32/95/57/928329557.db2.gz OGSVSEHZQHADRZ-GOSISDBHSA-N -1 1 408.527 4.083 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](C)CC2)c1 ZINC000520138403 928334894 /nfs/dbraw/zinc/33/48/94/928334894.db2.gz HRMFFWRQAKXULN-INIZCTEOSA-N -1 1 400.544 4.366 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCCc2cc(F)ccc21 ZINC000520174755 928365789 /nfs/dbraw/zinc/36/57/89/928365789.db2.gz YPRMLNAVZLHLTI-UHFFFAOYSA-N -1 1 410.470 4.220 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)c(Cl)c1 ZINC000520256940 928420956 /nfs/dbraw/zinc/42/09/56/928420956.db2.gz LKJIFOGSUHDXNZ-UHFFFAOYSA-N -1 1 416.886 4.340 20 0 HIADMM COC(=O)c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000520280718 928444111 /nfs/dbraw/zinc/44/41/11/928444111.db2.gz XFTISQDBZWYWOY-UHFFFAOYSA-N -1 1 410.495 4.027 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)Cc2ccccc2)cc1 ZINC000520286688 928447857 /nfs/dbraw/zinc/44/78/57/928447857.db2.gz SKIZQWYMPZCEOK-UHFFFAOYSA-N -1 1 423.538 4.472 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c(=O)[n-]1 ZINC000520342589 928504951 /nfs/dbraw/zinc/50/49/51/928504951.db2.gz CEQMYFYBOMYHFZ-UHFFFAOYSA-N -1 1 416.547 4.077 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000520363007 928520723 /nfs/dbraw/zinc/52/07/23/928520723.db2.gz WFWYPUYFIQVDIK-UHFFFAOYSA-N -1 1 401.488 4.355 20 0 HIADMM O=C([N-]c1cc(Cl)ccc1SCC(F)(F)F)c1cc(Cn2cccn2)on1 ZINC000520436899 928566150 /nfs/dbraw/zinc/56/61/50/928566150.db2.gz JGAGXUJGNSPGGS-UHFFFAOYSA-N -1 1 416.812 4.480 20 0 HIADMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1nc(C)cs1 ZINC000520528633 928620896 /nfs/dbraw/zinc/62/08/96/928620896.db2.gz CTYKCTXEADBDDP-GOSISDBHSA-N -1 1 415.540 4.133 20 0 HIADMM O=C(c1nc[n-]c1-c1nc(-c2cc(OC(F)F)ccc2F)no1)c1ccccc1 ZINC000520622728 928681086 /nfs/dbraw/zinc/68/10/86/928681086.db2.gz YVSVGBVHPYFCMZ-UHFFFAOYSA-N -1 1 400.316 4.098 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(CCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000520655368 928703213 /nfs/dbraw/zinc/70/32/13/928703213.db2.gz BBBQSPMSATWPOV-UHFFFAOYSA-N -1 1 407.539 4.421 20 0 HIADMM O=S(=O)([N-][C@H](c1cccs1)c1ccc(F)cc1)c1cc(F)c(F)cc1F ZINC000520663693 928709076 /nfs/dbraw/zinc/70/90/76/928709076.db2.gz NYHJJJIVTQVNPP-KRWDZBQOSA-N -1 1 401.406 4.372 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(C(C)C)cc2)o1 ZINC000520775129 928811813 /nfs/dbraw/zinc/81/18/13/928811813.db2.gz LHJXFVYJHZNJLN-IBGZPJMESA-N -1 1 419.524 4.319 20 0 HIADMM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000521156818 929030391 /nfs/dbraw/zinc/03/03/91/929030391.db2.gz CRRYBYOOXUYFMT-KSFYIVLOSA-N -1 1 406.507 4.151 20 0 HIADMM CC(C)[C@@H](C)N(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000521182044 929048763 /nfs/dbraw/zinc/04/87/63/929048763.db2.gz XNHMKIZSLLGHKQ-OAHLLOKOSA-N -1 1 404.507 4.276 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H]1C(C)C ZINC000521247892 929080575 /nfs/dbraw/zinc/08/05/75/929080575.db2.gz ASCLQFUDKNWBGF-HXUWFJFHSA-N -1 1 404.507 4.196 20 0 HIADMM CO[C@](C)(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000521250414 929083166 /nfs/dbraw/zinc/08/31/66/929083166.db2.gz XTEIBBMAABXTME-QHCPKHFHSA-N -1 1 424.522 4.296 20 0 HIADMM O=C(Cc1ccccc1)N1CCc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc21 ZINC000521299228 929109996 /nfs/dbraw/zinc/10/99/96/929109996.db2.gz BDYNVPUCUJABGK-UHFFFAOYSA-N -1 1 408.404 4.055 20 0 HIADMM CCc1ncc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)s1 ZINC000521298071 929110225 /nfs/dbraw/zinc/11/02/25/929110225.db2.gz NUTNKBFFBDMIIT-UHFFFAOYSA-N -1 1 423.466 4.037 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(Cc4ccccc4)no3)cc2)cc1 ZINC000521355571 929175964 /nfs/dbraw/zinc/17/59/64/929175964.db2.gz VKJONLSMPMZBKE-UHFFFAOYSA-N -1 1 405.479 4.437 20 0 HIADMM COc1cc(Cl)ccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000521474615 929238736 /nfs/dbraw/zinc/23/87/36/929238736.db2.gz QYJNTIYUJHLJPF-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1 ZINC000521497525 929254042 /nfs/dbraw/zinc/25/40/42/929254042.db2.gz JLASDCJWMQZONC-UHFFFAOYSA-N -1 1 408.523 4.170 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3cccnc3)cc2)cc1 ZINC000521564473 929300371 /nfs/dbraw/zinc/30/03/71/929300371.db2.gz DEVOSJIDOROICK-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000521627779 929334500 /nfs/dbraw/zinc/33/45/00/929334500.db2.gz QBNGURUEXPRYTH-UHFFFAOYSA-N -1 1 423.473 4.105 20 0 HIADMM Cc1ccc(Oc2ccccc2CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000521649958 929345270 /nfs/dbraw/zinc/34/52/70/929345270.db2.gz UQWWZKMZQYYSGU-UHFFFAOYSA-N -1 1 416.481 4.011 20 0 HIADMM C[C@@H]1CCC[C@H](OCc2cccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)c2)C1 ZINC000521728585 929393068 /nfs/dbraw/zinc/39/30/68/929393068.db2.gz HTLZMUFEFBAQBB-CJNGLKHVSA-N -1 1 409.529 4.342 20 0 HIADMM COc1cc(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)ccc1[N-]S(C)(=O)=O ZINC000521952442 929587845 /nfs/dbraw/zinc/58/78/45/929587845.db2.gz QQVQUJARHPRALT-ZDUSSCGKSA-N -1 1 417.487 4.038 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H]3CCc4ccccc43)cc2)cc1 ZINC000521984199 929611217 /nfs/dbraw/zinc/61/12/17/929611217.db2.gz SZIMNBWAPHFIMS-HXUWFJFHSA-N -1 1 420.534 4.256 20 0 HIADMM CCC(CC)[C@@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)c1ccccc1 ZINC000524623709 929732099 /nfs/dbraw/zinc/73/20/99/929732099.db2.gz NEXSNPCQOIDPTH-HXUWFJFHSA-N -1 1 419.547 4.366 20 0 HIADMM CN(Cc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000524633526 929743621 /nfs/dbraw/zinc/74/36/21/929743621.db2.gz PTWXVWLSDCERFX-UHFFFAOYSA-N -1 1 424.522 4.285 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3C)cc2)c1 ZINC000524654607 929766602 /nfs/dbraw/zinc/76/66/02/929766602.db2.gz ACSCGHAGEFQFBB-AEFFLSMTSA-N -1 1 400.544 4.365 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000524654193 929767434 /nfs/dbraw/zinc/76/74/34/929767434.db2.gz TVPXNHQYQZBDRS-FQEVSTJZSA-N -1 1 420.534 4.192 20 0 HIADMM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1csc(-c2cnccn2)n1 ZINC000524691937 929801530 /nfs/dbraw/zinc/80/15/30/929801530.db2.gz FDJIHUOSKHCLGY-UHFFFAOYSA-N -1 1 416.418 4.423 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)c1 ZINC000525008007 929969986 /nfs/dbraw/zinc/96/99/86/929969986.db2.gz WYHBBEVOXFVFDP-UHFFFAOYSA-N -1 1 420.874 4.199 20 0 HIADMM CC(C)n1cc(S(=O)(=O)[N-]c2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cn1 ZINC000525011705 929972342 /nfs/dbraw/zinc/97/23/42/929972342.db2.gz ATQHQKRQZDDAHV-UHFFFAOYSA-N -1 1 417.441 4.086 20 0 HIADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525069015 930016117 /nfs/dbraw/zinc/01/61/17/930016117.db2.gz OMLWKMRLHTXCJO-INIZCTEOSA-N -1 1 412.486 4.444 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1coc(-c2ccccc2)n1 ZINC000525072170 930018176 /nfs/dbraw/zinc/01/81/76/930018176.db2.gz OQRHDUGYMTUQTB-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000525086033 930026238 /nfs/dbraw/zinc/02/62/38/930026238.db2.gz VIAUJPHGMDSRDB-IFMALSPDSA-N -1 1 412.555 4.494 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)[C@H]3C)ccc2C)cc1 ZINC000525107742 930040586 /nfs/dbraw/zinc/04/05/86/930040586.db2.gz LRFXJEFVFXCOAO-FUHWJXTLSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000525203928 930085825 /nfs/dbraw/zinc/08/58/25/930085825.db2.gz VGYHDJCTEJTNHX-CALCHBBNSA-N -1 1 418.584 4.070 20 0 HIADMM CCSc1ccc([C@@H](C)NC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000525413334 930226316 /nfs/dbraw/zinc/22/63/16/930226316.db2.gz GUSKBSHQZHCOAQ-CYBMUJFWSA-N -1 1 423.560 4.061 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cc4n[nH]cc4cc3C)cc2)cc1 ZINC000525481756 930270805 /nfs/dbraw/zinc/27/08/05/930270805.db2.gz JJSPSEAXBASVOX-UHFFFAOYSA-N -1 1 409.467 4.473 20 0 HIADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1Cl ZINC000525524918 930301520 /nfs/dbraw/zinc/30/15/20/930301520.db2.gz QDIHYKOOTRSQQR-UHFFFAOYSA-N -1 1 417.918 4.075 20 0 HIADMM CCC(CC)c1cc(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)on1 ZINC000525539842 930312156 /nfs/dbraw/zinc/31/21/56/930312156.db2.gz UDPXZNREDXTZEN-UHFFFAOYSA-N -1 1 418.295 4.233 20 0 HIADMM CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c(C)noc1C ZINC000525583793 930345879 /nfs/dbraw/zinc/34/58/79/930345879.db2.gz UKCNALMSHKZHDK-LJQANCHMSA-N -1 1 413.499 4.225 20 0 HIADMM C[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1cccs1 ZINC000525601241 930356265 /nfs/dbraw/zinc/35/62/65/930356265.db2.gz WVVVVQIXKQDDIA-MRXNPFEDSA-N -1 1 414.552 4.158 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C)cc1 ZINC000525604386 930357679 /nfs/dbraw/zinc/35/76/79/930357679.db2.gz NMJUZUDUZGLJCJ-SFHVURJKSA-N -1 1 420.534 4.383 20 0 HIADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000525714933 930413636 /nfs/dbraw/zinc/41/36/36/930413636.db2.gz NOVATRZGIXOPRV-IBGZPJMESA-N -1 1 422.497 4.416 20 0 HIADMM COc1cc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cc(Cl)c1[O-] ZINC000525961744 930496293 /nfs/dbraw/zinc/49/62/93/930496293.db2.gz IYLZEILYHXNJIL-UHFFFAOYSA-N -1 1 400.784 4.083 20 0 HIADMM COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc(Cl)c1[O-] ZINC000526954473 930556668 /nfs/dbraw/zinc/55/66/68/930556668.db2.gz JSRJNJDHHIPIRY-FQEVSTJZSA-N -1 1 407.857 4.450 20 0 HIADMM COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc(Cl)c1[O-] ZINC000526954473 930556674 /nfs/dbraw/zinc/55/66/74/930556674.db2.gz JSRJNJDHHIPIRY-FQEVSTJZSA-N -1 1 407.857 4.450 20 0 HIADMM Cc1nc(-c2ccc(CCNC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)s2)cs1 ZINC000530613571 930772392 /nfs/dbraw/zinc/77/23/92/930772392.db2.gz MHLSNJQGAZLUDW-UHFFFAOYSA-N -1 1 416.572 4.254 20 0 HIADMM COc1ccc(NC(=O)N[C@H](c2ccccc2)C2CCCC2)cc1[N-]S(C)(=O)=O ZINC000530624338 930776270 /nfs/dbraw/zinc/77/62/70/930776270.db2.gz LAABHUADAFIZAO-HXUWFJFHSA-N -1 1 417.531 4.120 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(F)ccc3O)cc2)ccc1F ZINC000530656760 930788922 /nfs/dbraw/zinc/78/89/22/930788922.db2.gz FOXFHARKKKSTCR-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])[C@H]1CC12CCCC2 ZINC000530875404 930845715 /nfs/dbraw/zinc/84/57/15/930845715.db2.gz OVSCBJOTOZTQRY-CQSZACIVSA-N -1 1 420.918 4.365 20 0 HIADMM Cc1cscc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000530919269 930858538 /nfs/dbraw/zinc/85/85/38/930858538.db2.gz FQZVCTVMZMLZKV-UHFFFAOYSA-N -1 1 422.915 4.469 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)c2cccnc12 ZINC000531562856 931103621 /nfs/dbraw/zinc/10/36/21/931103621.db2.gz CFXZEMBLHILBPS-UHFFFAOYSA-N -1 1 408.483 4.188 20 0 HIADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2C)c1 ZINC000531854015 931221719 /nfs/dbraw/zinc/22/17/19/931221719.db2.gz BSLRCNPUKOLCKF-UHFFFAOYSA-N -1 1 415.536 4.256 20 0 HIADMM Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000532077688 931303692 /nfs/dbraw/zinc/30/36/92/931303692.db2.gz WDWKJIIYOBGCFS-JTQLQIEISA-N -1 1 418.316 4.473 20 0 HIADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000532267067 931376584 /nfs/dbraw/zinc/37/65/84/931376584.db2.gz BECPFFOFYKJSHC-LBPRGKRZSA-N -1 1 411.260 4.329 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCCF)cc2)c(C)c1C ZINC000532268517 931377629 /nfs/dbraw/zinc/37/76/29/931377629.db2.gz LOWHYKKLBKGXCZ-UHFFFAOYSA-N -1 1 406.523 4.119 20 0 HIADMM O=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000533113680 931773754 /nfs/dbraw/zinc/77/37/54/931773754.db2.gz FFKJHMYIKRPKEA-KRWDZBQOSA-N -1 1 416.510 4.010 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)c1 ZINC000533648281 931944551 /nfs/dbraw/zinc/94/45/51/931944551.db2.gz HABGURGMPVHICX-UHFFFAOYSA-N -1 1 414.512 4.222 20 0 HIADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000533690062 931971128 /nfs/dbraw/zinc/97/11/28/931971128.db2.gz SOTOZHFOECDDMS-UHFFFAOYSA-N -1 1 401.415 4.000 20 0 HIADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc2nc1C1CC1 ZINC000534057785 932235483 /nfs/dbraw/zinc/23/54/83/932235483.db2.gz UITHXZNSYZZRMG-UHFFFAOYSA-N -1 1 413.396 4.409 20 0 HIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)c(F)c1 ZINC000534065946 932242856 /nfs/dbraw/zinc/24/28/56/932242856.db2.gz SORKLBNYWJQGQV-UHFFFAOYSA-N -1 1 402.378 4.272 20 0 HIADMM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cnc([C@H]2CCCO2)s1 ZINC000534088694 932267655 /nfs/dbraw/zinc/26/76/55/932267655.db2.gz HJRPCPRLFMBXLP-GFCCVEGCSA-N -1 1 406.920 4.343 20 0 HIADMM Cc1ccc(NC(=O)CSCC(F)(F)F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000534167293 932312481 /nfs/dbraw/zinc/31/24/81/932312481.db2.gz FSICWVGPLQDVOJ-UHFFFAOYSA-N -1 1 418.462 4.030 20 0 HIADMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000534400950 932425736 /nfs/dbraw/zinc/42/57/36/932425736.db2.gz FBIOKVJIJDIJFQ-UHFFFAOYSA-N -1 1 401.509 4.296 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC3CCCCC3)cc2C)co1 ZINC000534481506 932518394 /nfs/dbraw/zinc/51/83/94/932518394.db2.gz QKWRCGQSSSZKSU-UHFFFAOYSA-N -1 1 408.545 4.173 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCC4)cc2)cc1CC ZINC000534498147 932533755 /nfs/dbraw/zinc/53/37/55/932533755.db2.gz POJVLFOXPLILTK-UHFFFAOYSA-N -1 1 410.543 4.207 20 0 HIADMM COc1ccc(C[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000534650282 932622543 /nfs/dbraw/zinc/62/25/43/932622543.db2.gz PERNVPZKOQPCKO-QGZVFWFLSA-N -1 1 424.522 4.313 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(Cc4ccccc4F)nc3c2)cc1 ZINC000534682988 932653788 /nfs/dbraw/zinc/65/37/88/932653788.db2.gz UIKJIBLLINKSAJ-UHFFFAOYSA-N -1 1 423.469 4.296 20 0 HIADMM CCc1onc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000534781849 932762796 /nfs/dbraw/zinc/76/27/96/932762796.db2.gz ZCAOPMGJJBYKNE-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM CC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000534865080 932813878 /nfs/dbraw/zinc/81/38/78/932813878.db2.gz FMUADCHPDJPUES-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)co1 ZINC000535153694 932971344 /nfs/dbraw/zinc/97/13/44/932971344.db2.gz NWOHECMUUMHPMG-CQSZACIVSA-N -1 1 416.524 4.293 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(CC(F)F)C(C)C)c1 ZINC000535226124 933028400 /nfs/dbraw/zinc/02/84/00/933028400.db2.gz QLZSSSOQGDKEEE-UHFFFAOYSA-N -1 1 414.449 4.051 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1c(C)noc1C ZINC000535245883 933034660 /nfs/dbraw/zinc/03/46/60/933034660.db2.gz HMBQSPCIXGZPCX-MRVPVSSYSA-N -1 1 413.746 4.198 20 0 HIADMM O=S(=O)([N-][C@H](CO)c1ccc(C(F)(F)F)cc1)c1c(Cl)cccc1Cl ZINC000535358485 933091124 /nfs/dbraw/zinc/09/11/24/933091124.db2.gz ZDGGOFKDQDXKDQ-CYBMUJFWSA-N -1 1 414.232 4.024 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000535646600 933287863 /nfs/dbraw/zinc/28/78/63/933287863.db2.gz IKRNNZUMGMONRX-UHFFFAOYSA-N -1 1 409.511 4.461 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000535830751 933421052 /nfs/dbraw/zinc/42/10/52/933421052.db2.gz RJRWIJCLLRGGJR-KRWDZBQOSA-N -1 1 416.525 4.067 20 0 HIADMM Cc1cc(C)cc(C2=CCN(C(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)CC2)c1 ZINC000535832808 933422042 /nfs/dbraw/zinc/42/20/42/933422042.db2.gz PMAOKTJJYPLLKQ-UHFFFAOYSA-N -1 1 414.509 4.028 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(CC)cc(=O)c3c2)c2ccccc12 ZINC000537396685 933757256 /nfs/dbraw/zinc/75/72/56/933757256.db2.gz KAWNLSIODGWAFV-UHFFFAOYSA-N -1 1 422.506 4.443 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000537492425 933795334 /nfs/dbraw/zinc/79/53/34/933795334.db2.gz OQDFWDFLOKOZGY-UHFFFAOYSA-N -1 1 403.442 4.244 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000537610922 938332720 /nfs/dbraw/zinc/33/27/20/938332720.db2.gz UPLAQNCXRHZQQS-UHFFFAOYSA-N -1 1 413.948 4.166 20 0 HIADMM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000537870953 938395464 /nfs/dbraw/zinc/39/54/64/938395464.db2.gz QWGHYLZXOQTFOP-LKFCYVNXSA-N -1 1 410.344 4.118 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3[C@@H](C)CC[C@@H]3CC)c2)cc1 ZINC000537920056 938413792 /nfs/dbraw/zinc/41/37/92/938413792.db2.gz GMIUCIIVUVXQMK-LPHOPBHVSA-N -1 1 416.543 4.289 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n[nH]c1-c1ccccc1 ZINC000538007556 938459375 /nfs/dbraw/zinc/45/93/75/938459375.db2.gz QVFZCNYGPBBBCD-UHFFFAOYSA-N -1 1 412.515 4.171 20 0 HIADMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000538011147 938461144 /nfs/dbraw/zinc/46/11/44/938461144.db2.gz FMAFWYVSYDFWIV-UHFFFAOYSA-N -1 1 416.543 4.255 20 0 HIADMM Cc1ccc(NC(=O)CCCC(F)(F)F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000538862046 938727437 /nfs/dbraw/zinc/72/74/37/938727437.db2.gz NRHGGOWFQNRYOR-UHFFFAOYSA-N -1 1 400.422 4.467 20 0 HIADMM C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC12CCC2 ZINC000538922797 938738286 /nfs/dbraw/zinc/73/82/86/938738286.db2.gz HWOCVLXSYXTZFS-INIZCTEOSA-N -1 1 416.518 4.279 20 0 HIADMM O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539326076 938841949 /nfs/dbraw/zinc/84/19/49/938841949.db2.gz NFUQYWOLCZBJID-CYBMUJFWSA-N -1 1 419.382 4.044 20 0 HIADMM O=C([O-])c1cccc(CC(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1 ZINC000539682639 938899934 /nfs/dbraw/zinc/89/99/34/938899934.db2.gz VMUUTVIJXQPTRR-UHFFFAOYSA-N -1 1 403.413 4.172 20 0 HIADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000539956529 938981343 /nfs/dbraw/zinc/98/13/43/938981343.db2.gz PJYCCCZDCCAKIA-UHFFFAOYSA-N -1 1 420.441 4.017 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3[C@H](C)CC[C@H]3CC)cc2)cc1 ZINC000540116456 939078463 /nfs/dbraw/zinc/07/84/63/939078463.db2.gz JLOUHOLFAHTGTO-VQIMIIECSA-N -1 1 416.543 4.289 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000540227985 939148124 /nfs/dbraw/zinc/14/81/24/939148124.db2.gz GWDVSDUCRWEDSO-UHFFFAOYSA-N -1 1 415.515 4.433 20 0 HIADMM C[C@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccccc1C(F)(F)F ZINC000540252024 939168897 /nfs/dbraw/zinc/16/88/97/939168897.db2.gz OTVWWXDULFSTER-LLVKDONJSA-N -1 1 418.412 4.348 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(Cl)sc1Cl ZINC000540482911 939269788 /nfs/dbraw/zinc/26/97/88/939269788.db2.gz CBEDFZMKHKYUJE-ZWNOBZJWSA-N -1 1 414.282 4.142 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc(OC)c1Br ZINC000540498042 939277638 /nfs/dbraw/zinc/27/76/38/939277638.db2.gz NEYOUTLSIXHLTE-UHFFFAOYSA-N -1 1 420.712 4.229 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3F)c2)cc1 ZINC000540662068 939333589 /nfs/dbraw/zinc/33/35/89/939333589.db2.gz OLSIRUYGGZRJND-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1 ZINC000540696632 939342454 /nfs/dbraw/zinc/34/24/54/939342454.db2.gz RIIMPPYLUBUCGR-UHFFFAOYSA-N -1 1 422.466 4.039 20 0 HIADMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1nccnc1Sc1ccccc1 ZINC000541284470 939489266 /nfs/dbraw/zinc/48/92/66/939489266.db2.gz IRDWCRIBPRTEMN-UHFFFAOYSA-N -1 1 423.498 4.462 20 0 HIADMM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cc(F)c(F)cc1Cl ZINC000541304572 939490209 /nfs/dbraw/zinc/49/02/09/939490209.db2.gz DDHVQWGEXRLWMA-UHFFFAOYSA-N -1 1 402.781 4.354 20 0 HIADMM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cccc(Br)c1 ZINC000541304741 939490232 /nfs/dbraw/zinc/49/02/32/939490232.db2.gz LZVJEJTZMKCZFQ-UHFFFAOYSA-N -1 1 411.252 4.185 20 0 HIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)c2)n1 ZINC000541307296 939490433 /nfs/dbraw/zinc/49/04/33/939490433.db2.gz LHHJSZOBDXPNSU-UHFFFAOYSA-N -1 1 413.430 4.386 20 0 HIADMM Cc1ccc(NC(=O)c2cccnc2C2CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000541399415 939505724 /nfs/dbraw/zinc/50/57/24/939505724.db2.gz ZMNIIDYSRGHTCI-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000541807290 939639277 /nfs/dbraw/zinc/63/92/77/939639277.db2.gz KAKLPCZWMRMJLL-UHFFFAOYSA-N -1 1 405.516 4.288 20 0 HIADMM CC(=O)N[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccc(Br)cc1 ZINC000541888032 939649417 /nfs/dbraw/zinc/64/94/17/939649417.db2.gz ZXLCROFJGQKMBB-OAHLLOKOSA-N -1 1 411.683 4.014 20 0 HIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000542218497 939761925 /nfs/dbraw/zinc/76/19/25/939761925.db2.gz RYUDAAOOMQXDRL-UHFFFAOYSA-N -1 1 401.536 4.101 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c(Cl)c1Cl ZINC000542232735 939767029 /nfs/dbraw/zinc/76/70/29/939767029.db2.gz OSEFVTWFNXYAAN-SNVBAGLBSA-N -1 1 418.298 4.381 20 0 HIADMM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)cc2)n1 ZINC000542235024 939769521 /nfs/dbraw/zinc/76/95/21/939769521.db2.gz PYMVCNDBGCYCJT-UHFFFAOYSA-N -1 1 423.441 4.305 20 0 HIADMM C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000542753726 939859216 /nfs/dbraw/zinc/85/92/16/939859216.db2.gz ZLNAMZUMFKSZTH-ZIFCJYIRSA-N -1 1 415.559 4.111 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3CCCCS3)cc2)cc1C ZINC000543330050 940033232 /nfs/dbraw/zinc/03/32/32/940033232.db2.gz XJJXGFIKYJZEQI-LJQANCHMSA-N -1 1 418.584 4.120 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000543353031 940039539 /nfs/dbraw/zinc/03/95/39/940039539.db2.gz BIKGJUDUJIEMPS-UHFFFAOYSA-N -1 1 404.536 4.101 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C[C@H]3CC=CCC3)c2)cc1F ZINC000543355375 940040014 /nfs/dbraw/zinc/04/00/14/940040014.db2.gz WPVRGAUDWBNXDR-KRWDZBQOSA-N -1 1 416.518 4.363 20 0 HIADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000543389721 940049375 /nfs/dbraw/zinc/04/93/75/940049375.db2.gz RWZKPAFCQIADCJ-INIZCTEOSA-N -1 1 402.491 4.055 20 0 HIADMM CCc1nc2cc(S(=O)(=O)[N-]c3ccc(-c4cn5c(n4)CCCC5)cc3)ccc2o1 ZINC000543857884 940212308 /nfs/dbraw/zinc/21/23/08/940212308.db2.gz QJFMXGXHTIFBFS-UHFFFAOYSA-N -1 1 422.510 4.391 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1Cl ZINC000544098235 940326341 /nfs/dbraw/zinc/32/63/41/940326341.db2.gz BZCZZBNYWWTCJO-JTQLQIEISA-N -1 1 418.298 4.381 20 0 HIADMM CCN(CCC1CC1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000544885438 940521610 /nfs/dbraw/zinc/52/16/10/940521610.db2.gz WSGNRFJVWQQPKO-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM C[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544888536 940521976 /nfs/dbraw/zinc/52/19/76/940521976.db2.gz NGIWAZNPOREZQH-INIZCTEOSA-N -1 1 410.499 4.107 20 0 HIADMM CC1(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)Cc2ccccc2C1 ZINC000544889844 940522064 /nfs/dbraw/zinc/52/20/64/940522064.db2.gz HQDOGDMUPBVTMA-UHFFFAOYSA-N -1 1 421.522 4.166 20 0 HIADMM Cc1ccsc1CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544889363 940522149 /nfs/dbraw/zinc/52/21/49/940522149.db2.gz CWJBHCMSLHFJFX-UHFFFAOYSA-N -1 1 401.513 4.179 20 0 HIADMM CSCC[C@@H](C)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544890930 940522285 /nfs/dbraw/zinc/52/22/85/940522285.db2.gz YWQRJSPKOLDRCI-OAHLLOKOSA-N -1 1 407.561 4.093 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(Cc4ccccn4)no3)c2)c1 ZINC000544924894 940525842 /nfs/dbraw/zinc/52/58/42/940525842.db2.gz SUHUOJZUEQWUPD-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM CCc1cnccc1-c1noc(-c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000545014413 940533729 /nfs/dbraw/zinc/53/37/29/940533729.db2.gz UWGQHETWLRZRLK-UHFFFAOYSA-N -1 1 420.494 4.470 20 0 HIADMM Cc1csc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)n1 ZINC000545088992 940541474 /nfs/dbraw/zinc/54/14/74/940541474.db2.gz COYHOGNOCSYWPJ-UHFFFAOYSA-N -1 1 416.459 4.108 20 0 HIADMM CCOc1cc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc(Cl)c1[O-] ZINC000545148504 940551053 /nfs/dbraw/zinc/55/10/53/940551053.db2.gz OLDLAYHOIWIFKT-UHFFFAOYSA-N -1 1 408.241 4.078 20 0 HIADMM CCOc1cc(C(=O)NCCc2cc(Br)ccc2F)cc(Cl)c1[O-] ZINC000545168645 940553595 /nfs/dbraw/zinc/55/35/95/940553595.db2.gz IBYWLGKONVYIAI-UHFFFAOYSA-N -1 1 416.674 4.318 20 0 HIADMM CCOc1cc(C(=O)NCCc2ccc(-c3nc(CC)no3)cc2)cc(Cl)c1[O-] ZINC000545169248 940553795 /nfs/dbraw/zinc/55/37/95/940553795.db2.gz DOODLFNSFIVHBX-UHFFFAOYSA-N -1 1 415.877 4.029 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cc(Cl)c1[O-] ZINC000545169294 940553801 /nfs/dbraw/zinc/55/38/01/940553801.db2.gz HSLUWJDGIPSJRZ-UHFFFAOYSA-N -1 1 411.845 4.344 20 0 HIADMM CCOc1cc(C(=O)N2CCC(Oc3ccc(OC)cc3)CC2)cc(Cl)c1[O-] ZINC000545169330 940553874 /nfs/dbraw/zinc/55/38/74/940553874.db2.gz JRYCBUGYFNMDEQ-UHFFFAOYSA-N -1 1 405.878 4.137 20 0 HIADMM CCOc1cc(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc(Cl)c1[O-] ZINC000545170219 940553981 /nfs/dbraw/zinc/55/39/81/940553981.db2.gz UACHMWJMIKUZGL-AWEZNQCLSA-N -1 1 406.885 4.102 20 0 HIADMM CCOc1cc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1[O-] ZINC000545170145 940554004 /nfs/dbraw/zinc/55/40/04/940554004.db2.gz QYELJYBUCNSYFQ-ZIAGYGMSSA-N -1 1 404.894 4.310 20 0 HIADMM COc1cc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc(Cl)c1[O-] ZINC000545179267 940554604 /nfs/dbraw/zinc/55/46/04/940554604.db2.gz UYTSPBIYRVJAMQ-UHFFFAOYSA-N -1 1 409.313 4.056 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2c(-c3ccccc3)nc3ccccn32)c(=O)[n-]1 ZINC000545287632 940560175 /nfs/dbraw/zinc/56/01/75/940560175.db2.gz MTPNYCDNOZDGRF-UHFFFAOYSA-N -1 1 419.510 4.099 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](C)C(C)(C)C3)c2)cc1 ZINC000545429646 940569442 /nfs/dbraw/zinc/56/94/42/940569442.db2.gz GLMFNIZGARVPHF-INIZCTEOSA-N -1 1 416.543 4.004 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](C)C(C)(C)C3)c2)cc1 ZINC000545429647 940569473 /nfs/dbraw/zinc/56/94/73/940569473.db2.gz GLMFNIZGARVPHF-MRXNPFEDSA-N -1 1 416.543 4.004 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000545463456 940571039 /nfs/dbraw/zinc/57/10/39/940571039.db2.gz NTXQHSYUOITRQU-UHFFFAOYSA-N -1 1 423.225 4.065 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(Cc4ccccn4)no3)cc2)c1 ZINC000545544881 940574172 /nfs/dbraw/zinc/57/41/72/940574172.db2.gz ZPABRQWQNYRJJU-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)n2)cn1 ZINC000545569992 940575181 /nfs/dbraw/zinc/57/51/81/940575181.db2.gz GQMAXFXVCZSMOW-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc([C@H]4CCO[C@@H](C)C4)no3)c2)cc1 ZINC000545798846 940600599 /nfs/dbraw/zinc/60/05/99/940600599.db2.gz NIURRPKDQWDFOM-HOTGVXAUSA-N -1 1 413.499 4.128 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc([C@@H](C)c3ccncc3)no2)cc1 ZINC000545800224 940601222 /nfs/dbraw/zinc/60/12/22/940601222.db2.gz QGFHZRLUZBQXAB-INIZCTEOSA-N -1 1 420.494 4.393 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)c(C)c1C(=O)[O-] ZINC000545829085 940618830 /nfs/dbraw/zinc/61/88/30/940618830.db2.gz JJLUWANGJHVWES-UHFFFAOYSA-N -1 1 405.806 4.057 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)cc1Cl ZINC000545829846 940619840 /nfs/dbraw/zinc/61/98/40/940619840.db2.gz OZJDRABBLYLRNB-UHFFFAOYSA-N -1 1 412.197 4.094 20 0 HIADMM Cc1ccccc1[C@H](C)c1noc(CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000545835344 940622989 /nfs/dbraw/zinc/62/29/89/940622989.db2.gz QXAAGTAHSONXJM-HNNXBMFYSA-N -1 1 401.470 4.181 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)cc(Cl)c1[O-] ZINC000545854111 940637642 /nfs/dbraw/zinc/63/76/42/940637642.db2.gz OIZVOABTNXRAMR-AWEZNQCLSA-N -1 1 404.894 4.090 20 0 HIADMM CCOc1cc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cc(Cl)c1[O-] ZINC000545856857 940639396 /nfs/dbraw/zinc/63/93/96/940639396.db2.gz WPSHUFZZYPCKOQ-UHFFFAOYSA-N -1 1 422.268 4.120 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(OC)c(Br)c2)cc(Cl)c1[O-] ZINC000545877020 940647889 /nfs/dbraw/zinc/64/78/89/940647889.db2.gz XEFRVEAYRXYHSA-UHFFFAOYSA-N -1 1 414.683 4.145 20 0 HIADMM COc1cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000545886389 940652997 /nfs/dbraw/zinc/65/29/97/940652997.db2.gz DMNYAGXOARQDKQ-UHFFFAOYSA-N -1 1 403.784 4.063 20 0 HIADMM Cc1ccc(NC(=O)CCc2ccc(O)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000546158578 940717080 /nfs/dbraw/zinc/71/70/80/940717080.db2.gz QSXWSQYNCZULEP-UHFFFAOYSA-N -1 1 410.495 4.073 20 0 HIADMM Cc1ncc(-c2ccc(NC(=O)c3ccc(I)c([O-])c3)cc2)o1 ZINC000546173032 940721302 /nfs/dbraw/zinc/72/13/02/940721302.db2.gz WAMQZKVEMJOQJF-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(CC(F)(F)F)no3)ccc2C)cc1 ZINC000546271778 940755716 /nfs/dbraw/zinc/75/57/16/940755716.db2.gz FXAXPOCEZWIBLZ-UHFFFAOYSA-N -1 1 411.405 4.259 20 0 HIADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000546317062 940780510 /nfs/dbraw/zinc/78/05/10/940780510.db2.gz VLXURZHOIMLQOY-UHFFFAOYSA-N -1 1 409.389 4.434 20 0 HIADMM CSCc1cccc(-c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c1 ZINC000546397167 940810225 /nfs/dbraw/zinc/81/02/25/940810225.db2.gz BHOFBMVCPZTBAT-UHFFFAOYSA-N -1 1 419.510 4.251 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccccc3C[S@](C)=O)cc2)c1 ZINC000546536987 940847071 /nfs/dbraw/zinc/84/70/71/940847071.db2.gz HCYOCBNGVQTOAR-MHZLTWQESA-N -1 1 415.536 4.467 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)cc(Cl)c1[O-] ZINC000546552940 940850661 /nfs/dbraw/zinc/85/06/61/940850661.db2.gz DLCMDZQAHHEFFH-MRXNPFEDSA-N -1 1 413.905 4.407 20 0 HIADMM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(N4CCCC[C@@H]4C)cc3C)cc12 ZINC000546567190 940855217 /nfs/dbraw/zinc/85/52/17/940855217.db2.gz WCEBAJVWLUDKKM-HNNXBMFYSA-N -1 1 414.531 4.273 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1 ZINC000546860482 940896783 /nfs/dbraw/zinc/89/67/83/940896783.db2.gz VVMMADSDTTZPDT-UHFFFAOYSA-N -1 1 424.320 4.189 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000546876733 940899454 /nfs/dbraw/zinc/89/94/54/940899454.db2.gz JVKNAJHRDOSXHC-OAHLLOKOSA-N -1 1 411.214 4.113 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1OC(C)C ZINC000546885449 940900422 /nfs/dbraw/zinc/90/04/22/940900422.db2.gz GORZVBJWVIJNBJ-UHFFFAOYSA-N -1 1 400.294 4.046 20 0 HIADMM Cc1cnc([C@H](C)NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000546928355 940916021 /nfs/dbraw/zinc/91/60/21/940916021.db2.gz XUQAICPTLZDKCR-AWEZNQCLSA-N -1 1 416.528 4.135 20 0 HIADMM COCCCCc1noc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC000547099646 940995506 /nfs/dbraw/zinc/99/55/06/940995506.db2.gz UMQQILKLVRDTRM-UHFFFAOYSA-N -1 1 415.515 4.123 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000547259534 941046179 /nfs/dbraw/zinc/04/61/79/941046179.db2.gz OZQWZTAXYWYCHV-QAPCUYQASA-N -1 1 414.260 4.497 20 0 HIADMM CCOc1cc(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc(Cl)c1[O-] ZINC000547267482 941048717 /nfs/dbraw/zinc/04/87/17/941048717.db2.gz AMMNKHLJSPDQCO-UHFFFAOYSA-N -1 1 403.891 4.447 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)cs2)cc(Cl)c1[O-] ZINC000547268875 941049282 /nfs/dbraw/zinc/04/92/82/941049282.db2.gz WJAPXXQPXLRTMV-NSHDSACASA-N -1 1 403.891 4.454 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc(Cl)c1[O-] ZINC000547269024 941049365 /nfs/dbraw/zinc/04/93/65/941049365.db2.gz YEMXCUCEBUJSGV-UHFFFAOYSA-N -1 1 411.845 4.344 20 0 HIADMM CCOc1cc(C(=O)NCCc2ccccc2OC(F)(F)F)cc(Cl)c1[O-] ZINC000547270854 941049771 /nfs/dbraw/zinc/04/97/71/941049771.db2.gz PMHHZLFZRYFEIO-UHFFFAOYSA-N -1 1 403.784 4.315 20 0 HIADMM CCOc1cc(C(=O)NCc2cccc(NC(=O)[C@@H](C)CC)c2)cc(Cl)c1[O-] ZINC000547289515 941052817 /nfs/dbraw/zinc/05/28/17/941052817.db2.gz RBIXAYTUIIXRBC-ZDUSSCGKSA-N -1 1 404.894 4.359 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(OCc3ccccn3)cc2)cc(Cl)c1[O-] ZINC000547290363 941053131 /nfs/dbraw/zinc/05/31/31/941053131.db2.gz XELZVLJEVNWXGF-UHFFFAOYSA-N -1 1 412.873 4.348 20 0 HIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C ZINC000547631413 941069594 /nfs/dbraw/zinc/06/95/94/941069594.db2.gz JIWLWOJWHBVFRH-UHFFFAOYSA-N -1 1 413.568 4.206 20 0 HIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000547955223 941080420 /nfs/dbraw/zinc/08/04/20/941080420.db2.gz NGOHEJUJKZCCLZ-GOSISDBHSA-N -1 1 408.483 4.072 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H](C)Sc2ccccc2Cl)n[n-]1 ZINC000548394768 941099224 /nfs/dbraw/zinc/09/92/24/941099224.db2.gz CHTYATVZLVQMAS-JSGCOSHPSA-N -1 1 424.954 4.019 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H](C)Sc2ccccc2Cl)[n-]1 ZINC000548394768 941099227 /nfs/dbraw/zinc/09/92/27/941099227.db2.gz CHTYATVZLVQMAS-JSGCOSHPSA-N -1 1 424.954 4.019 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H](C)Sc2ccccc2Cl)n1 ZINC000548394768 941099230 /nfs/dbraw/zinc/09/92/30/941099230.db2.gz CHTYATVZLVQMAS-JSGCOSHPSA-N -1 1 424.954 4.019 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC(C)=O)c(C)c1 ZINC000548607721 941114566 /nfs/dbraw/zinc/11/45/66/941114566.db2.gz ICTBBYRHXZLBEI-UHFFFAOYSA-N -1 1 416.421 4.090 20 0 HIADMM COc1ccc(-c2nsc([N-]C(=O)c3cc4c(C(F)F)nn(C)c4s3)n2)cc1 ZINC000548753886 941122859 /nfs/dbraw/zinc/12/28/59/941122859.db2.gz BIBIRIITEDTLRE-UHFFFAOYSA-N -1 1 421.454 4.352 20 0 HIADMM CCC[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccn1 ZINC000549756880 941206602 /nfs/dbraw/zinc/20/66/02/941206602.db2.gz NBNUOYIJPLBYQX-FQEVSTJZSA-N -1 1 409.511 4.405 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc1C ZINC000550112577 941285988 /nfs/dbraw/zinc/28/59/88/941285988.db2.gz ROAAITVQRCRJDV-UHFFFAOYSA-N -1 1 409.414 4.100 20 0 HIADMM O=C(CCCc1nccs1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000550143790 941289277 /nfs/dbraw/zinc/28/92/77/941289277.db2.gz LCQTULSPQYWWFS-UHFFFAOYSA-N -1 1 419.503 4.044 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccn(-c2ccc(F)cc2)n1 ZINC000552208251 941602395 /nfs/dbraw/zinc/60/23/95/941602395.db2.gz ICJYTTDNTSGPTH-UHFFFAOYSA-N -1 1 410.630 4.385 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000552988549 941812589 /nfs/dbraw/zinc/81/25/89/941812589.db2.gz ZLHLVSMSLMOCJA-CQSZACIVSA-N -1 1 413.642 4.237 20 0 HIADMM CCOc1cc(C(=O)NCc2c(OC)cccc2OC(F)(F)F)cc(Cl)c1[O-] ZINC000553240389 941855207 /nfs/dbraw/zinc/85/52/07/941855207.db2.gz FUWKXAFLHAEYPX-UHFFFAOYSA-N -1 1 419.783 4.282 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc4ccccn4n3)cc2)c1 ZINC000553321841 941867216 /nfs/dbraw/zinc/86/72/16/941867216.db2.gz LYBPLNXNMRYHGG-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM CC(C)CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000553464858 941889505 /nfs/dbraw/zinc/88/95/05/941889505.db2.gz OCJQSKPFFKRJKL-UHFFFAOYSA-N -1 1 416.877 4.081 20 0 HIADMM C[C@H](c1ccccc1)N(C(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000553478277 941892080 /nfs/dbraw/zinc/89/20/80/941892080.db2.gz LCQJTYMRFWNYFV-GFCCVEGCSA-N -1 1 407.251 4.363 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCC3)cc1)c1ccc2ccccc2c1 ZINC000553607458 941919141 /nfs/dbraw/zinc/91/91/41/941919141.db2.gz ADAVXHQDLPVXDS-UHFFFAOYSA-N -1 1 404.495 4.235 20 0 HIADMM CCCOC1(c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)CCCCC1 ZINC000554837398 942274760 /nfs/dbraw/zinc/27/47/60/942274760.db2.gz DSJYVOAPPPKRPX-UHFFFAOYSA-N -1 1 409.490 4.112 20 0 HIADMM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccccc1)c1c(Cl)cc(Cl)cc1Cl ZINC000554919558 942319919 /nfs/dbraw/zinc/31/99/19/942319919.db2.gz KBTWSJVLFFLONL-SUMWQHHRSA-N -1 1 420.745 4.091 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000555981404 942783476 /nfs/dbraw/zinc/78/34/76/942783476.db2.gz NENDRSABWUYHAA-UHFFFAOYSA-N -1 1 413.465 4.215 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000556846014 942938414 /nfs/dbraw/zinc/93/84/14/942938414.db2.gz VQMKKYNQTIHHHU-NEPJUHHUSA-N -1 1 424.678 4.322 20 0 HIADMM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000556850331 942939640 /nfs/dbraw/zinc/93/96/40/942939640.db2.gz CWELFMFIDDUJRH-JTQLQIEISA-N -1 1 412.667 4.417 20 0 HIADMM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000557339566 943077620 /nfs/dbraw/zinc/07/76/20/943077620.db2.gz GKHNCFGCNVKTEY-SNVBAGLBSA-N -1 1 419.305 4.321 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000558150495 943397305 /nfs/dbraw/zinc/39/73/05/943397305.db2.gz CWSDKYXIDJDTTB-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(F)(F)[C@@H](C)C3)cc2)c1 ZINC000558584131 943609410 /nfs/dbraw/zinc/60/94/10/943609410.db2.gz WFCJAJGJQYXVBO-INIZCTEOSA-N -1 1 422.497 4.222 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3ccsc32)cc1C(F)(F)F ZINC000559150288 943854494 /nfs/dbraw/zinc/85/44/94/943854494.db2.gz WALWHMSNMRLRLL-UHFFFAOYSA-N -1 1 401.387 4.419 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)nc3)cc(Cl)c2O1 ZINC000559937152 944092233 /nfs/dbraw/zinc/09/22/33/944092233.db2.gz ASUSZAZTBAOOFO-LBPRGKRZSA-N -1 1 417.874 4.047 20 0 HIADMM CCCc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 ZINC000559960536 944099511 /nfs/dbraw/zinc/09/95/11/944099511.db2.gz CLROYKDPXXWVTR-MRXNPFEDSA-N -1 1 423.888 4.225 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cncc(Br)c1 ZINC000560503450 944238254 /nfs/dbraw/zinc/23/82/54/944238254.db2.gz WMHPIFLTHIDGII-UHFFFAOYSA-N -1 1 406.461 4.218 20 0 HIADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000560503982 944238802 /nfs/dbraw/zinc/23/88/02/944238802.db2.gz VNVOXMHAPXGVIZ-ZETCQYMHSA-N -1 1 406.610 4.492 20 0 HIADMM CC(=O)Nc1ccc(F)c(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000560505268 944238836 /nfs/dbraw/zinc/23/88/36/944238836.db2.gz JOSOTRKDMIHGBS-UHFFFAOYSA-N -1 1 401.619 4.158 20 0 HIADMM O=C(Nc1cccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1)NC1CC1 ZINC000560504397 944239406 /nfs/dbraw/zinc/23/94/06/944239406.db2.gz CDOVAJWBANHVOO-UHFFFAOYSA-N -1 1 424.682 4.344 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000560616205 944275286 /nfs/dbraw/zinc/27/52/86/944275286.db2.gz UOISHWWSQKNWBN-GMAHTHKFSA-N -1 1 420.534 4.390 20 0 HIADMM O=C(Nc1c(O)cccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000560821720 944345600 /nfs/dbraw/zinc/34/56/00/944345600.db2.gz OOTYELCQBFCRKZ-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000560956136 944376055 /nfs/dbraw/zinc/37/60/55/944376055.db2.gz MMGQRRQAHNNMMX-INIZCTEOSA-N -1 1 422.497 4.433 20 0 HIADMM CCc1ccc(-n2nc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c3c2CCC3)cc1 ZINC000561095556 944447179 /nfs/dbraw/zinc/44/71/79/944447179.db2.gz UCNSBWYKMHGJOJ-UHFFFAOYSA-N -1 1 413.481 4.271 20 0 HIADMM Cc1nc(-c2ccc(NCC(C)(C)Oc3cc(F)cc(F)c3)nc2)[n-]c(=O)c1C ZINC000561339864 944555834 /nfs/dbraw/zinc/55/58/34/944555834.db2.gz DZAKGHMUNGDUJB-UHFFFAOYSA-N -1 1 400.429 4.409 20 0 HIADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000562042947 944907944 /nfs/dbraw/zinc/90/79/44/944907944.db2.gz DQMGXNYWGWLFRK-JTQLQIEISA-N -1 1 414.503 4.423 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000562229081 945031887 /nfs/dbraw/zinc/03/18/87/945031887.db2.gz CZNQEYOGGCSPQK-UHFFFAOYSA-N -1 1 408.676 4.189 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)c1 ZINC000562227653 945032217 /nfs/dbraw/zinc/03/22/17/945032217.db2.gz HCQZPEKGYVGQOI-UHFFFAOYSA-N -1 1 422.703 4.497 20 0 HIADMM COc1cc(C)c(NC(=O)c2ccc(I)c([O-])c2)c(C)c1C ZINC000565381003 945820422 /nfs/dbraw/zinc/82/04/22/945820422.db2.gz JXRXZTHURIFWRH-UHFFFAOYSA-N -1 1 411.239 4.183 20 0 HIADMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000565394591 945824741 /nfs/dbraw/zinc/82/47/41/945824741.db2.gz KNNMVMMYHLDGKL-UHFFFAOYSA-N -1 1 412.433 4.015 20 0 HIADMM CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)cc1 ZINC000565728147 945872009 /nfs/dbraw/zinc/87/20/09/945872009.db2.gz NWAVAADPKYPTMA-UHFFFAOYSA-N -1 1 418.902 4.169 20 0 HIADMM Cc1cccc([C@H](c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)C(C)C)c1 ZINC000569154776 946826501 /nfs/dbraw/zinc/82/65/01/946826501.db2.gz OZGPEQPNGNMKPW-RHSMWYFYSA-N -1 1 405.545 4.267 20 0 HIADMM O=S(=O)(Cc1cc(Cl)c2c(c1)OCCCO2)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000569186981 946835026 /nfs/dbraw/zinc/83/50/26/946835026.db2.gz NVWBVDFCWZJXMW-UHFFFAOYSA-N -1 1 422.865 4.004 20 0 HIADMM O=S(=O)(Cc1cc(Cl)c2c(c1)OCCCO2)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000569186981 946835030 /nfs/dbraw/zinc/83/50/30/946835030.db2.gz NVWBVDFCWZJXMW-UHFFFAOYSA-N -1 1 422.865 4.004 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc(OCC(F)F)nc1 ZINC000570230817 947153246 /nfs/dbraw/zinc/15/32/46/947153246.db2.gz VMVFCNXLIDQJCS-UHFFFAOYSA-N -1 1 407.598 4.099 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)n1 ZINC000570490676 947266976 /nfs/dbraw/zinc/26/69/76/947266976.db2.gz VBLPERUMYJAVNP-FQEVSTJZSA-N -1 1 419.478 4.257 20 0 HIADMM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)C1 ZINC000571588627 947717927 /nfs/dbraw/zinc/71/79/27/947717927.db2.gz OQPGODPQVKKRJE-MNOVXSKESA-N -1 1 417.731 4.031 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC000571715077 947758871 /nfs/dbraw/zinc/75/88/71/947758871.db2.gz FZFSCBCQIBHPSJ-UHFFFAOYSA-N -1 1 415.515 4.018 20 0 HIADMM CCN(CCOC)c1cccc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000573047113 948070151 /nfs/dbraw/zinc/07/01/51/948070151.db2.gz AFDUWHFJRSLVPZ-UHFFFAOYSA-N -1 1 410.543 4.318 20 0 HIADMM COc1cc(NC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000573907905 948324796 /nfs/dbraw/zinc/32/47/96/948324796.db2.gz AXLRHXZQBUSALH-DNVCBOLYSA-N -1 1 417.531 4.072 20 0 HIADMM CCc1csc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000574107427 948365884 /nfs/dbraw/zinc/36/58/84/948365884.db2.gz MAJMEYKGUHAQJC-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC)c2C)c2ccccc12 ZINC000575962433 948803679 /nfs/dbraw/zinc/80/36/79/948803679.db2.gz DOJFSVPKBFUFSU-UHFFFAOYSA-N -1 1 417.458 4.273 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H]3CCC(F)(F)C3)c2)c1 ZINC000435954072 861217237 /nfs/dbraw/zinc/21/72/37/861217237.db2.gz BTIJTWKANQXLBP-MRXNPFEDSA-N -1 1 422.497 4.269 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCC(F)(F)C3)ccc2C)c1 ZINC000435962875 861223603 /nfs/dbraw/zinc/22/36/03/861223603.db2.gz YLKZUSCSWJTNSS-MRXNPFEDSA-N -1 1 422.497 4.269 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CCC(F)(F)C3)c2)c1 ZINC000435963317 861224729 /nfs/dbraw/zinc/22/47/29/861224729.db2.gz ZFBMNJFKIVAFNM-MRXNPFEDSA-N -1 1 422.497 4.269 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1Br ZINC000436003902 861290089 /nfs/dbraw/zinc/29/00/89/861290089.db2.gz NFQYRXMMHWJKSS-UHFFFAOYSA-N -1 1 423.332 4.087 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(NC(=O)c2ccncc2)c1 ZINC000436004577 861291795 /nfs/dbraw/zinc/29/17/95/861291795.db2.gz PDYGZZRHRICJHP-UHFFFAOYSA-N -1 1 413.524 4.165 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c1 ZINC000436027613 861322256 /nfs/dbraw/zinc/32/22/56/861322256.db2.gz RNJMRNLPWCXKNC-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM CC(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccnc1 ZINC000436077424 861356966 /nfs/dbraw/zinc/35/69/66/861356966.db2.gz UXTUPQMBGNQMSQ-OAQYLSRUSA-N -1 1 409.511 4.261 20 0 HIADMM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1(C)C ZINC000436094885 861377421 /nfs/dbraw/zinc/37/74/21/861377421.db2.gz XPUAKYSYIFDOHL-DNVCBOLYSA-N -1 1 414.527 4.067 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000436114910 861399896 /nfs/dbraw/zinc/39/98/96/861399896.db2.gz MLNIWUQLLPFOSS-UHFFFAOYSA-N -1 1 419.485 4.060 20 0 HIADMM COc1ccc2c(c1)CN(C(=O)c1nc3ccccc3c(=O)[n-]1)[C@H](C1CCCCC1)C2 ZINC000436118268 861402968 /nfs/dbraw/zinc/40/29/68/861402968.db2.gz MPBSIOXRKFWONY-QFIPXVFZSA-N -1 1 417.509 4.079 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C[C@@H]1C ZINC000436181291 861483728 /nfs/dbraw/zinc/48/37/28/861483728.db2.gz NSZOXJASWMDXLL-STQMWFEESA-N -1 1 410.898 4.008 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1nc(C2CCCCC2)no1 ZINC000436185824 861486505 /nfs/dbraw/zinc/48/65/05/861486505.db2.gz WUNRWYOMUUBKFP-LLVKDONJSA-N -1 1 419.425 4.055 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)n1 ZINC000436208108 861509035 /nfs/dbraw/zinc/50/90/35/861509035.db2.gz JDSFBLFAPHMASU-UWVGGRQHSA-N -1 1 402.545 4.433 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)cc1 ZINC000003517638 845033001 /nfs/dbraw/zinc/03/30/01/845033001.db2.gz SSWRWPISKZKYNF-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000005134958 845083828 /nfs/dbraw/zinc/08/38/28/845083828.db2.gz XUTLQCXRYDGBEB-UHFFFAOYSA-N -1 1 410.495 4.311 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(F)cc3)cc2)cc1 ZINC000006177613 845180664 /nfs/dbraw/zinc/18/06/64/845180664.db2.gz PJCGPWRYZIDWIX-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CCCCCC3)c2)cc1 ZINC000006178067 845182239 /nfs/dbraw/zinc/18/22/39/845182239.db2.gz KKBMNKXZYGVKNI-UHFFFAOYSA-N -1 1 416.543 4.339 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1NC(C)=O ZINC000007057548 845244154 /nfs/dbraw/zinc/24/41/54/845244154.db2.gz BGROLJPPRDXZOA-UHFFFAOYSA-N -1 1 410.495 4.045 20 0 HIADMM Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000007109182 845255188 /nfs/dbraw/zinc/25/51/88/845255188.db2.gz HWVAXISSGLKGLK-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM O=C(CSc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1ccc([O-])cc1 ZINC000007190024 845277344 /nfs/dbraw/zinc/27/73/44/845277344.db2.gz CIRZCVSZEPVRJS-UHFFFAOYSA-N -1 1 414.918 4.202 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)n1 ZINC000436246638 861556869 /nfs/dbraw/zinc/55/68/69/861556869.db2.gz ZZAOYNSFZDYEGG-UHFFFAOYSA-N -1 1 407.539 4.108 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1F ZINC000008033366 845463923 /nfs/dbraw/zinc/46/39/23/845463923.db2.gz YFLZBCYJNKKWST-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCCC[C@@H]3C)c2)cc1F ZINC000008033563 845466273 /nfs/dbraw/zinc/46/62/73/845466273.db2.gz QVMAKQUEXRDXHP-MGPUTAFESA-N -1 1 404.507 4.243 20 0 HIADMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)ccn1 ZINC000010165142 845626064 /nfs/dbraw/zinc/62/60/64/845626064.db2.gz QTGJWPIRTPYNLW-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1cccc(Br)c1 ZINC000010516397 845669837 /nfs/dbraw/zinc/66/98/37/845669837.db2.gz PIEISTRNCFKQSI-UHFFFAOYSA-N -1 1 410.211 4.191 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(F)c(C)c2)cc1 ZINC000010552152 845672954 /nfs/dbraw/zinc/67/29/54/845672954.db2.gz HOZKGQGZUFQXDP-UHFFFAOYSA-N -1 1 414.506 4.160 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCCOc1ccc2ccccc2c1 ZINC000010997154 845739870 /nfs/dbraw/zinc/73/98/70/845739870.db2.gz QAAPVEANGGKICZ-UHFFFAOYSA-N -1 1 410.524 4.018 20 0 HIADMM O=C(CSc1ccc(Br)cc1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000011341083 845782808 /nfs/dbraw/zinc/78/28/08/845782808.db2.gz TYUSAYTZNDGWQP-UHFFFAOYSA-N -1 1 416.243 4.099 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000011761516 845831025 /nfs/dbraw/zinc/83/10/25/845831025.db2.gz WVUFUJHKOAHNRK-UHFFFAOYSA-N -1 1 416.890 4.061 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)NCC2(c3ccccc3)CCCC2)cc1 ZINC000012101394 845854270 /nfs/dbraw/zinc/85/42/70/845854270.db2.gz DBOMAHTYAZTQBW-UHFFFAOYSA-N -1 1 422.554 4.244 20 0 HIADMM O=C([N-]c1nnc(C(F)F)s1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000436309588 861614108 /nfs/dbraw/zinc/61/41/08/861614108.db2.gz FZDQVGDMTKQMMH-UHFFFAOYSA-N -1 1 405.304 4.887 20 0 HIADMM Cc1ccc(SCC(=O)N[N-]C(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC000012672449 845882421 /nfs/dbraw/zinc/88/24/21/845882421.db2.gz RFAPQAGSDDEJEJ-UHFFFAOYSA-N -1 1 410.520 4.169 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1Cl ZINC000014097677 845924878 /nfs/dbraw/zinc/92/48/78/845924878.db2.gz WORSUCRYBCLCDK-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM Cc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000015272557 846026816 /nfs/dbraw/zinc/02/68/16/846026816.db2.gz DOKAXNMPLSGDFG-UHFFFAOYSA-N -1 1 406.935 4.465 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000015413886 846045441 /nfs/dbraw/zinc/04/54/41/846045441.db2.gz NRAJWTADJREBGF-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000015434029 846048423 /nfs/dbraw/zinc/04/84/23/846048423.db2.gz RDIYAFCJHSFXRH-GJZGRUSLSA-N -1 1 406.935 4.259 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000015434191 846048499 /nfs/dbraw/zinc/04/84/99/846048499.db2.gz BVROMMRCQWEDPP-HUUCEWRRSA-N -1 1 404.507 4.053 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3F)c2)cc1 ZINC000015539244 846059450 /nfs/dbraw/zinc/05/94/50/846059450.db2.gz NCYUIGBTGYSGLQ-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1ccc(F)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000015542475 846061324 /nfs/dbraw/zinc/06/13/24/846061324.db2.gz ZNPANWXDFHGRIL-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)cc3F)cc2)cc1 ZINC000015542083 846061453 /nfs/dbraw/zinc/06/14/53/846061453.db2.gz AYTUFAWOEOPJAC-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1C ZINC000015563612 846063271 /nfs/dbraw/zinc/06/32/71/846063271.db2.gz XVXBQMHIAGRZSW-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM CCC(CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000015615459 846073976 /nfs/dbraw/zinc/07/39/76/846073976.db2.gz XBJUJOOSXSYLEG-UHFFFAOYSA-N -1 1 414.449 4.425 20 0 HIADMM COc1ccccc1CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000015739545 846087810 /nfs/dbraw/zinc/08/78/10/846087810.db2.gz VYPPPBSXIJQXNT-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000015739452 846087951 /nfs/dbraw/zinc/08/79/51/846087951.db2.gz SLFVLMDARKPNHG-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(Cl)nc1 ZINC000015744162 846088920 /nfs/dbraw/zinc/08/89/20/846088920.db2.gz FIKIGOPBFPIRRG-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000015797325 846091778 /nfs/dbraw/zinc/09/17/78/846091778.db2.gz HJHDOMASZDASLY-KUHUBIRLSA-N -1 1 404.507 4.243 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2c(c1)CCC2 ZINC000015922715 846103012 /nfs/dbraw/zinc/10/30/12/846103012.db2.gz YPSGJSWCRRYCJP-UHFFFAOYSA-N -1 1 424.497 4.296 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccnc3Cl)ccc2C)c1 ZINC000015950426 846103681 /nfs/dbraw/zinc/10/36/81/846103681.db2.gz WCZOITCKFBRVHL-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM O=C([N-]NC(=S)Nc1ccc(SC(F)F)cc1)c1cc(-c2ccccc2)[nH]n1 ZINC000016187289 846135412 /nfs/dbraw/zinc/13/54/12/846135412.db2.gz PVAOAFWSFDKEHY-UHFFFAOYSA-N -1 1 419.482 4.023 20 0 HIADMM O=C(CCCc1ccc(Br)s1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000016257243 846142697 /nfs/dbraw/zinc/14/26/97/846142697.db2.gz PIXLNVSXKQDXCX-UHFFFAOYSA-N -1 1 423.284 4.389 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(F)cc(F)c3)c2)cc1 ZINC000016305156 846150970 /nfs/dbraw/zinc/15/09/70/846150970.db2.gz TTZZEKDEEHMYLJ-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1onc(-c2ccccc2)c1C(=O)[N-]NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000016496208 846178807 /nfs/dbraw/zinc/17/88/07/846178807.db2.gz URAHFWJIEIWRPJ-MRXNPFEDSA-N -1 1 415.449 4.032 20 0 HIADMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000016598306 846188285 /nfs/dbraw/zinc/18/82/85/846188285.db2.gz VZBYVTPHKKBWCN-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000016597328 846188393 /nfs/dbraw/zinc/18/83/93/846188393.db2.gz SPBQFXSYQSLSKK-UHFFFAOYSA-N -1 1 411.531 4.101 20 0 HIADMM CCN(CC)c1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000016598726 846188590 /nfs/dbraw/zinc/18/85/90/846188590.db2.gz ZKNASRHJCGKINK-UHFFFAOYSA-N -1 1 411.531 4.101 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)c(O)c1 ZINC000017410724 846252670 /nfs/dbraw/zinc/25/26/70/846252670.db2.gz VDQCKMLQQDQEGV-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3cccs3)ccc2C)cc1 ZINC000017909774 846275954 /nfs/dbraw/zinc/27/59/54/846275954.db2.gz TVUMOYFRLAITKC-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 ZINC000018015419 846283251 /nfs/dbraw/zinc/28/32/51/846283251.db2.gz ITGHBTGRAGJUHX-GFCCVEGCSA-N -1 1 418.469 4.162 20 0 HIADMM CCc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000018076913 846291555 /nfs/dbraw/zinc/29/15/55/846291555.db2.gz GKSGNQMXKDRMDP-UHFFFAOYSA-N -1 1 408.523 4.322 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1 ZINC000018083270 846292679 /nfs/dbraw/zinc/29/26/79/846292679.db2.gz QYVKCNHZZDNYNX-CALCHBBNSA-N -1 1 416.543 4.004 20 0 HIADMM O=C(N[C@H]1CCSc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000018134530 846301093 /nfs/dbraw/zinc/30/10/93/846301093.db2.gz VLRPMQZQZUWZNJ-FQEVSTJZSA-N -1 1 424.547 4.454 20 0 HIADMM O=C(N[C@@H]1CCSc2ccccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000018134377 846301313 /nfs/dbraw/zinc/30/13/13/846301313.db2.gz JOVARGAWAZMOKT-HXUWFJFHSA-N -1 1 424.547 4.454 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000018203902 846308336 /nfs/dbraw/zinc/30/83/36/846308336.db2.gz DEOGCUVAOBNNAE-ZDUSSCGKSA-N -1 1 408.483 4.240 20 0 HIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1C(=O)c1cccs1 ZINC000021479831 846452307 /nfs/dbraw/zinc/45/23/07/846452307.db2.gz DIWNPBOSOOOTGT-UHFFFAOYSA-N -1 1 406.415 4.148 20 0 HIADMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000021859397 846503664 /nfs/dbraw/zinc/50/36/64/846503664.db2.gz IGDRGNCFPUVNGW-ZDUSSCGKSA-N -1 1 419.856 4.171 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCCC(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000022081683 846528709 /nfs/dbraw/zinc/52/87/09/846528709.db2.gz NUVRKYCVIWZHBB-UHFFFAOYSA-N -1 1 421.566 4.484 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)cc1 ZINC000022287131 846554435 /nfs/dbraw/zinc/55/44/35/846554435.db2.gz KNVOZCLQGJFVJB-AWEZNQCLSA-N -1 1 402.545 4.281 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)CC[C@@H]3C)c2)cc1 ZINC000436362663 861694618 /nfs/dbraw/zinc/69/46/18/861694618.db2.gz IRECHWNSHAYQEF-SJORKVTESA-N -1 1 416.543 4.147 20 0 HIADMM CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1Cl ZINC000022623965 846596060 /nfs/dbraw/zinc/59/60/60/846596060.db2.gz OWTVKZLCJFBPEB-AWEZNQCLSA-N -1 1 424.950 4.458 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc(F)ccc1F ZINC000022648460 846597598 /nfs/dbraw/zinc/59/75/98/846597598.db2.gz MHIAGFXNEDQDNX-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)ccc2o1 ZINC000023015375 846647865 /nfs/dbraw/zinc/64/78/65/846647865.db2.gz KYFNWNKMRHNSRB-UHFFFAOYSA-N -1 1 403.765 4.266 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)o1 ZINC000023496703 846709761 /nfs/dbraw/zinc/70/97/61/846709761.db2.gz FMMUJABVCHNQJC-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000436371929 861712570 /nfs/dbraw/zinc/71/25/70/861712570.db2.gz ULBHXMQMEOGHER-ZIAGYGMSSA-N -1 1 408.470 4.026 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(Cl)s2)cc1 ZINC000025523287 846992439 /nfs/dbraw/zinc/99/24/39/846992439.db2.gz BMULPMUEOFZAFC-UHFFFAOYSA-N -1 1 408.936 4.038 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000025741377 847029156 /nfs/dbraw/zinc/02/91/56/847029156.db2.gz AZKPFAPVCZYQNE-UHFFFAOYSA-N -1 1 400.422 4.491 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3ccc(CSC)cc3)n2)n[n-]c1=S ZINC000026043652 847076319 /nfs/dbraw/zinc/07/63/19/847076319.db2.gz YYPRLYCKOPMZDJ-UHFFFAOYSA-N -1 1 417.585 4.289 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1OC ZINC000026535597 847165037 /nfs/dbraw/zinc/16/50/37/847165037.db2.gz LEKGGVQFZUDNAS-UHFFFAOYSA-N -1 1 404.513 4.245 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)C1 ZINC000027150664 847256570 /nfs/dbraw/zinc/25/65/70/847256570.db2.gz ZIUFZIOEVWSALW-SFHVURJKSA-N -1 1 400.544 4.366 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)C1 ZINC000027155288 847257168 /nfs/dbraw/zinc/25/71/68/847257168.db2.gz YVCGOKMOJFBLMM-SFHVURJKSA-N -1 1 400.544 4.366 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000027155218 847257315 /nfs/dbraw/zinc/25/73/15/847257315.db2.gz OWWXQWYCZYNNEL-CQSZACIVSA-N -1 1 408.470 4.028 20 0 HIADMM COc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)c1 ZINC000027293901 847280583 /nfs/dbraw/zinc/28/05/83/847280583.db2.gz IZFUWGHWUAQTNU-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(Nc1ccc(F)cc1F)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000027464717 847307530 /nfs/dbraw/zinc/30/75/30/847307530.db2.gz LYVBKUBWVCOBPC-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM Cc1cccnc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000027651725 847332736 /nfs/dbraw/zinc/33/27/36/847332736.db2.gz ZDYNGOVBBIFXEE-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000027697461 847339884 /nfs/dbraw/zinc/33/98/84/847339884.db2.gz YEPKGVREKRCSBF-YWZLYKJASA-N -1 1 404.507 4.325 20 0 HIADMM Cc1cc(C=C(C#N)C(=O)OCC(=O)c2ccc([O-])cc2O)c(C)n1C1CCCCC1 ZINC000028076370 847383493 /nfs/dbraw/zinc/38/34/93/847383493.db2.gz VFRHFTCTYFCWOW-WOJGMQOQSA-N -1 1 422.481 4.354 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3CC)cc2)cc1 ZINC000028490868 847426699 /nfs/dbraw/zinc/42/66/99/847426699.db2.gz OKIDSTGPLCVISM-IBGZPJMESA-N -1 1 416.543 4.291 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000028493169 847427595 /nfs/dbraw/zinc/42/75/95/847427595.db2.gz GBJFYEOFOYUHBP-GASCZTMLSA-N -1 1 404.507 4.053 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(CCOc2ccccc2Cl)CC1 ZINC000028636591 847439107 /nfs/dbraw/zinc/43/91/07/847439107.db2.gz GOCGNANJOPLJOQ-UHFFFAOYSA-N -1 1 410.901 4.036 20 0 HIADMM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000029352676 847549713 /nfs/dbraw/zinc/54/97/13/847549713.db2.gz UWFMGRIJBBNKAI-UHFFFAOYSA-N -1 1 424.507 4.191 20 0 HIADMM COc1ccc(C(=O)N[N-]C(=O)c2cc3sc4ccccc4c3s2)cc1OC ZINC000029634816 847592678 /nfs/dbraw/zinc/59/26/78/847592678.db2.gz PITUUJSMCPHWOJ-UHFFFAOYSA-N -1 1 412.492 4.208 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1ccc(F)cc1 ZINC000029697087 847601961 /nfs/dbraw/zinc/60/19/61/847601961.db2.gz GMQXTLWKBOIUDH-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3oc(C)nc3c2)cc1 ZINC000029796179 847621487 /nfs/dbraw/zinc/62/14/87/847621487.db2.gz CWEDUZOMPPKWBT-UHFFFAOYSA-N -1 1 409.471 4.095 20 0 HIADMM COc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1[N-]S(C)(=O)=O ZINC000029817210 847626122 /nfs/dbraw/zinc/62/61/22/847626122.db2.gz AFEJYWOGPWZXAL-UHFFFAOYSA-N -1 1 408.545 4.040 20 0 HIADMM Cn1ccnc1[C@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000029955954 847658625 /nfs/dbraw/zinc/65/86/25/847658625.db2.gz QUQASZAVRKHKFH-OAHLLOKOSA-N -1 1 421.335 4.457 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cc1 ZINC000030012832 847670587 /nfs/dbraw/zinc/67/05/87/847670587.db2.gz XFSJIMDSXBCEJF-MRXNPFEDSA-N -1 1 422.506 4.087 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCn4cccc4[C@H]3C)cc2)cc1C ZINC000030265860 847694200 /nfs/dbraw/zinc/69/42/00/847694200.db2.gz XALXZBFEZAAZPR-GOSISDBHSA-N -1 1 423.538 4.123 20 0 HIADMM O=S(=O)(Nc1ccccc1NCC(F)(F)F)c1cc(C(F)(F)F)ccc1[O-] ZINC000436478716 861818942 /nfs/dbraw/zinc/81/89/42/861818942.db2.gz RNOZLMBMYNLPBK-UHFFFAOYSA-N -1 1 414.327 4.186 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N(Cc1cccs1)C1CC1 ZINC000030303369 847699789 /nfs/dbraw/zinc/69/97/89/847699789.db2.gz MHGMOWNBDULPTD-UHFFFAOYSA-N -1 1 412.536 4.354 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)CCO4)ccc2C)cc1 ZINC000030372931 847708619 /nfs/dbraw/zinc/70/86/19/847708619.db2.gz VUNGXXCJRIAYNI-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000030381644 847708838 /nfs/dbraw/zinc/70/88/38/847708838.db2.gz BDYHQVISQOWRQJ-QRWLVFNGSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCCC[C@H]3C)c2)cc1 ZINC000030381972 847710039 /nfs/dbraw/zinc/71/00/39/847710039.db2.gz PIUKRQKIAZYEKP-UTKZUKDTSA-N -1 1 400.544 4.447 20 0 HIADMM C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])[C@H]1CCOC1 ZINC000436487600 861820769 /nfs/dbraw/zinc/82/07/69/861820769.db2.gz JZFAXAQLRBUZSL-YPMHNXCESA-N -1 1 423.296 4.106 20 0 HIADMM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000030534964 847731548 /nfs/dbraw/zinc/73/15/48/847731548.db2.gz HEIRNGFJBHEBHK-OAHLLOKOSA-N -1 1 412.536 4.308 20 0 HIADMM CC[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCO1 ZINC000030596741 847742329 /nfs/dbraw/zinc/74/23/29/847742329.db2.gz AXIMIYTWMNUVFM-CQSZACIVSA-N -1 1 423.296 4.202 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000436497995 861825809 /nfs/dbraw/zinc/82/58/09/861825809.db2.gz NTVGZXKYLKZSEN-LLVKDONJSA-N -1 1 419.250 4.455 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(OC(F)(F)F)c1 ZINC000031033427 847812462 /nfs/dbraw/zinc/81/24/62/847812462.db2.gz XEUNBPVOKKZUNP-UHFFFAOYSA-N -1 1 400.407 4.206 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000031069493 847817586 /nfs/dbraw/zinc/81/75/86/847817586.db2.gz KTGNTZPBYCVHJT-UHFFFAOYSA-N -1 1 408.527 4.198 20 0 HIADMM Cc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC000031107427 847824836 /nfs/dbraw/zinc/82/48/36/847824836.db2.gz JFKZXKBZTZFPHT-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM CCOc1cc(-c2noc(-c3ccnc(NC(=O)C(C)C)c3)n2)cc(Cl)c1[O-] ZINC000436523078 861833945 /nfs/dbraw/zinc/83/39/45/861833945.db2.gz ZJFFIVYKJBYFKA-UHFFFAOYSA-N -1 1 402.838 4.151 20 0 HIADMM O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2ccccc2c1[O-] ZINC000436525267 861834930 /nfs/dbraw/zinc/83/49/30/861834930.db2.gz FTLDNYQKBZMPAJ-UHFFFAOYSA-N -1 1 415.415 4.358 20 0 HIADMM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000031212523 847844799 /nfs/dbraw/zinc/84/47/99/847844799.db2.gz CFZPVAMRQPNMCW-ZDUSSCGKSA-N -1 1 423.738 4.327 20 0 HIADMM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000031212518 847844906 /nfs/dbraw/zinc/84/49/06/847844906.db2.gz CFZPVAMRQPNMCW-CYBMUJFWSA-N -1 1 423.738 4.327 20 0 HIADMM C[C@@H](N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(C)(C)C ZINC000031408039 847878444 /nfs/dbraw/zinc/87/84/44/847878444.db2.gz VKDXUCKZSKOITP-OAHLLOKOSA-N -1 1 406.523 4.062 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000031435223 847884240 /nfs/dbraw/zinc/88/42/40/847884240.db2.gz XGAAAVWBVAOGOW-HNNXBMFYSA-N -1 1 421.526 4.146 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000436535831 861840538 /nfs/dbraw/zinc/84/05/38/861840538.db2.gz OXTJJXFTSJORJU-CYBMUJFWSA-N -1 1 401.825 4.255 20 0 HIADMM CCC(CC)NC(=O)[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])c2ccccc2O1 ZINC000436543578 861843409 /nfs/dbraw/zinc/84/34/09/861843409.db2.gz MFWCXUUMBLPCIZ-JOCHJYFZSA-N -1 1 418.493 4.258 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000031681449 847928883 /nfs/dbraw/zinc/92/88/83/847928883.db2.gz DRCNFFQSUIRUEA-INIZCTEOSA-N -1 1 404.507 4.197 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(OC(C)C)c(Cl)c3)cc2C[C@@H]1C ZINC000031721491 847938095 /nfs/dbraw/zinc/93/80/95/847938095.db2.gz KSWYBGBOHBTYIB-ZDUSSCGKSA-N -1 1 422.934 4.226 20 0 HIADMM CCOc1cc(-c2nc3cc(Br)c(F)cc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000436567629 861855184 /nfs/dbraw/zinc/85/51/84/861855184.db2.gz ZGVCLXDJELJOFC-UHFFFAOYSA-N -1 1 413.630 4.249 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1 ZINC000031940848 847967965 /nfs/dbraw/zinc/96/79/65/847967965.db2.gz DTGQBBNGHZQYNY-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1 ZINC000032097343 847987162 /nfs/dbraw/zinc/98/71/62/847987162.db2.gz JIJWSBGEGFXINS-UHFFFAOYSA-N -1 1 413.499 4.491 20 0 HIADMM CCN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])C(C)C ZINC000436561999 861852411 /nfs/dbraw/zinc/85/24/11/861852411.db2.gz IARWUCMASYTXDN-UHFFFAOYSA-N -1 1 405.292 4.278 20 0 HIADMM Cc1ccc(NC(=O)CC[C@H]2CCCO2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000032146516 847987994 /nfs/dbraw/zinc/98/79/94/847987994.db2.gz YBLGOCPVRRXGGH-GOSISDBHSA-N -1 1 422.934 4.347 20 0 HIADMM CN(C)C(=O)C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])c2ccc(Cl)cc21 ZINC000436564495 861853055 /nfs/dbraw/zinc/85/30/55/861853055.db2.gz PAJBLBLHESPPPN-INIZCTEOSA-N -1 1 408.885 4.421 20 0 HIADMM COc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1[N-]S(C)(=O)=O ZINC000032347921 848010315 /nfs/dbraw/zinc/01/03/15/848010315.db2.gz QJQQKVWKOWIKMB-UHFFFAOYSA-N -1 1 412.467 4.111 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000436570297 861855837 /nfs/dbraw/zinc/85/58/37/861855837.db2.gz OOGABHHSTDHMOB-FQEVSTJZSA-N -1 1 406.507 4.316 20 0 HIADMM CN(C[C@H]1CCOC1)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436570797 861856085 /nfs/dbraw/zinc/85/60/85/861856085.db2.gz BDUKOMATBNBVAX-GFCCVEGCSA-N -1 1 423.296 4.060 20 0 HIADMM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436574304 861857081 /nfs/dbraw/zinc/85/70/81/861857081.db2.gz KJWQNJPPEDROKI-INIZCTEOSA-N -1 1 422.447 4.199 20 0 HIADMM O=C(Nc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436577681 861857956 /nfs/dbraw/zinc/85/79/56/861857956.db2.gz OXYGXAMXWSOMNS-OKILXGFUSA-N -1 1 400.425 4.185 20 0 HIADMM CC(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032586061 848049894 /nfs/dbraw/zinc/04/98/94/848049894.db2.gz GOCVRBGDWCXDTL-UHFFFAOYSA-N -1 1 404.307 4.133 20 0 HIADMM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000032592167 848051034 /nfs/dbraw/zinc/05/10/34/848051034.db2.gz CCMWOVAETLCALH-UHFFFAOYSA-N -1 1 407.706 4.149 20 0 HIADMM C[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1)n1cccn1 ZINC000032600356 848052085 /nfs/dbraw/zinc/05/20/85/848052085.db2.gz LLHAEUNDUOULFB-INIZCTEOSA-N -1 1 420.494 4.037 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000032631015 848057036 /nfs/dbraw/zinc/05/70/36/848057036.db2.gz IZPHKTAAVWBELZ-UHFFFAOYSA-N -1 1 409.813 4.185 20 0 HIADMM CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436585485 861860224 /nfs/dbraw/zinc/86/02/24/861860224.db2.gz SGKAHEHHAFHQQN-HNNXBMFYSA-N -1 1 412.511 4.016 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]4CCC[C@H]43)c([O-])c2)c1 ZINC000436585899 861860408 /nfs/dbraw/zinc/86/04/08/861860408.db2.gz ABIBRMQRHYYNCD-YCRPNKLZSA-N -1 1 424.497 4.066 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000436588075 861861106 /nfs/dbraw/zinc/86/11/06/861861106.db2.gz RVYSJCIHMBXXQH-QGZVFWFLSA-N -1 1 404.304 4.019 20 0 HIADMM O=C(NCc1cccs1)c1cc(NC(=O)c2cc(F)ccc2[O-])ccc1Cl ZINC000436588221 861861574 /nfs/dbraw/zinc/86/15/74/861861574.db2.gz ZDGYAHKWEYPACE-UHFFFAOYSA-N -1 1 404.850 4.429 20 0 HIADMM CS[C@H]1CCCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436593598 861862128 /nfs/dbraw/zinc/86/21/28/861862128.db2.gz FNCCBHIHCCDKJQ-KRWDZBQOSA-N -1 1 420.481 4.280 20 0 HIADMM CCc1onc(C)c1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436600780 861864932 /nfs/dbraw/zinc/86/49/32/861864932.db2.gz IJDXTUWXTFPKPF-UHFFFAOYSA-N -1 1 401.369 4.034 20 0 HIADMM CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436604317 861866738 /nfs/dbraw/zinc/86/67/38/861866738.db2.gz NVDZMFZEETUMRU-REWPJTCUSA-N -1 1 416.521 4.288 20 0 HIADMM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000033098229 848109638 /nfs/dbraw/zinc/10/96/38/848109638.db2.gz DOYYDSFEGMDFTB-KXBFYZLASA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCC[C@@H](C)C2)c1 ZINC000033184314 848121724 /nfs/dbraw/zinc/12/17/24/848121724.db2.gz HHFBZBUWDBRZGS-QAPCUYQASA-N -1 1 400.544 4.413 20 0 HIADMM Cc1cc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c(C)o1 ZINC000436609877 861868578 /nfs/dbraw/zinc/86/85/78/861868578.db2.gz IQFJXFNCWSXKHV-YCRPNKLZSA-N -1 1 406.482 4.237 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)c3ccccc23)cc1 ZINC000033870250 848140281 /nfs/dbraw/zinc/14/02/81/848140281.db2.gz BANKZFALLZYGSL-UHFFFAOYSA-N -1 1 419.300 4.362 20 0 HIADMM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000436618494 861872114 /nfs/dbraw/zinc/87/21/14/861872114.db2.gz RPRDNERIDDXISO-ZHRRBRCNSA-N -1 1 420.484 4.209 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1cccc(Br)c1 ZINC000036760485 848160787 /nfs/dbraw/zinc/16/07/87/848160787.db2.gz JCWAMYNAWPEEOP-UHFFFAOYSA-N -1 1 419.300 4.224 20 0 HIADMM Cc1sc2nc(SCC(=O)c3ccc([O-])cc3O)n(C(C)C)c(=O)c2c1C ZINC000036812591 848165498 /nfs/dbraw/zinc/16/54/98/848165498.db2.gz AFPLGEDOJRVWIC-UHFFFAOYSA-N -1 1 404.513 4.042 20 0 HIADMM COc1cccc(NC(=S)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000036845548 848168378 /nfs/dbraw/zinc/16/83/78/848168378.db2.gz FIYBSSZSPZZEDE-UHFFFAOYSA-N -1 1 413.524 4.305 20 0 HIADMM O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436630499 861874869 /nfs/dbraw/zinc/87/48/69/861874869.db2.gz ODIPIWNLOJLJQR-UHFFFAOYSA-N -1 1 417.181 4.298 20 0 HIADMM Cc1cc(Br)ccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000039549278 848188920 /nfs/dbraw/zinc/18/89/20/848188920.db2.gz TTWNCONFAORKHB-UHFFFAOYSA-N -1 1 409.334 4.379 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c(=O)[n-]1 ZINC000041895732 848262857 /nfs/dbraw/zinc/26/28/57/848262857.db2.gz XTDTUWDUPXXXBJ-SJCJKPOMSA-N -1 1 401.532 4.053 20 0 HIADMM O=C(NCc1ccc(C(F)F)cc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436661879 861885622 /nfs/dbraw/zinc/88/56/22/861885622.db2.gz XLEAAFWBQCBCLA-HXUWFJFHSA-N -1 1 424.447 4.404 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1NC(=O)OC(C)(C)C ZINC000042092562 848284765 /nfs/dbraw/zinc/28/47/65/848284765.db2.gz VKHCXJYHOSHYJZ-UHFFFAOYSA-N -1 1 414.430 4.121 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(F)ccc2OC(C)C)c1 ZINC000436668254 861888078 /nfs/dbraw/zinc/88/80/78/861888078.db2.gz BHXYBTVUNFKBEA-UHFFFAOYSA-N -1 1 413.405 4.120 20 0 HIADMM CC(C)CSCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436670244 861889346 /nfs/dbraw/zinc/88/93/46/861889346.db2.gz DBRPDAWYEUVGOU-FQEVSTJZSA-N -1 1 414.571 4.046 20 0 HIADMM C[C@@]12CCN(C(=O)c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])C[C@@H]1C2(F)F ZINC000436673721 861889712 /nfs/dbraw/zinc/88/97/12/861889712.db2.gz GGZVOSDIIGJNCD-FXAWDEMLSA-N -1 1 422.378 4.040 20 0 HIADMM O=C(NCCOC1CCCCC1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436683193 861893536 /nfs/dbraw/zinc/89/35/36/861893536.db2.gz TXGFXORQCCGNLP-UHFFFAOYSA-N -1 1 418.440 4.002 20 0 HIADMM O=C(Nc1ccccc1Br)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043133353 848387691 /nfs/dbraw/zinc/38/76/91/848387691.db2.gz POENTEGKUVUDGD-UHFFFAOYSA-N -1 1 403.276 4.282 20 0 HIADMM O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000436702614 861897936 /nfs/dbraw/zinc/89/79/36/861897936.db2.gz FVTCNTRRWIHETD-NRFANRHFSA-N -1 1 409.869 4.303 20 0 HIADMM CC(=O)c1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000436712476 861899559 /nfs/dbraw/zinc/89/95/59/861899559.db2.gz NTUQNEFBCTWTLN-OAQYLSRUSA-N -1 1 420.440 4.130 20 0 HIADMM COc1ccc(NC(=O)c2oc3c(cccc3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000044035747 848505603 /nfs/dbraw/zinc/50/56/03/848505603.db2.gz NCQZWUHEQYZPFR-UHFFFAOYSA-N -1 1 408.863 4.027 20 0 HIADMM CCOCc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436726711 861912344 /nfs/dbraw/zinc/91/23/44/861912344.db2.gz VVGODHFCVKLGFQ-JOCHJYFZSA-N -1 1 418.493 4.325 20 0 HIADMM COc1c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc(Cl)cc1C(=O)N(C)C ZINC000436731085 861917330 /nfs/dbraw/zinc/91/73/30/861917330.db2.gz NNFJBFVZANZNNP-UHFFFAOYSA-N -1 1 416.783 4.027 20 0 HIADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(I)ccc1[O-] ZINC000436735362 861919083 /nfs/dbraw/zinc/91/90/83/861919083.db2.gz FBHXKJMSSHJHOJ-OCCSQVGLSA-N -1 1 407.251 4.015 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c(=O)[n-]1 ZINC000044684845 848591616 /nfs/dbraw/zinc/59/16/16/848591616.db2.gz RPDXEDZPKLDLCD-IBGZPJMESA-N -1 1 403.523 4.332 20 0 HIADMM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801518 848605860 /nfs/dbraw/zinc/60/58/60/848605860.db2.gz FRPJNNAGHOLHIO-HUUCEWRRSA-N -1 1 419.547 4.019 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc4nsnc4c3)n2)cc(Br)c1[O-] ZINC000436752065 861934727 /nfs/dbraw/zinc/93/47/27/861934727.db2.gz WVCRTOBXJLTBGN-UHFFFAOYSA-N -1 1 419.260 4.275 20 0 HIADMM COCCCN(CCc1ccc(OC)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753441 861939018 /nfs/dbraw/zinc/93/90/18/861939018.db2.gz UPIVFSRFFWFBEF-UHFFFAOYSA-N -1 1 411.420 4.141 20 0 HIADMM CCOc1cc(-c2noc(CCc3cccc(OC)c3)n2)cc(Br)c1[O-] ZINC000436755011 861940841 /nfs/dbraw/zinc/94/08/41/861940841.db2.gz KPARHGCBCDODSF-UHFFFAOYSA-N -1 1 419.275 4.397 20 0 HIADMM COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436757746 861943970 /nfs/dbraw/zinc/94/39/70/861943970.db2.gz WRRRXAHLYFKOKI-UHFFFAOYSA-N -1 1 412.392 4.492 20 0 HIADMM C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436760047 861948421 /nfs/dbraw/zinc/94/84/21/861948421.db2.gz LBIKDDAXDQSUEH-NEPJUHHUSA-N -1 1 423.296 4.201 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(COC)cc3)n2)cc(Br)c1[O-] ZINC000436766979 861956620 /nfs/dbraw/zinc/95/66/20/861956620.db2.gz FGVVYDNGALQYCO-UHFFFAOYSA-N -1 1 405.248 4.417 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000046462585 848855011 /nfs/dbraw/zinc/85/50/11/848855011.db2.gz QKYXGAQAMAFNCA-UHFFFAOYSA-N -1 1 406.507 4.389 20 0 HIADMM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588398 848880742 /nfs/dbraw/zinc/88/07/42/848880742.db2.gz XZVSXDHQWDCYBC-OAHLLOKOSA-N -1 1 414.458 4.033 20 0 HIADMM CCCc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000046588681 848880927 /nfs/dbraw/zinc/88/09/27/848880927.db2.gz KROBKWSAGQTQIX-UHFFFAOYSA-N -1 1 415.540 4.457 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(C(=O)OC)cc3)n2)cc(Br)c1[O-] ZINC000436772052 861963737 /nfs/dbraw/zinc/96/37/37/861963737.db2.gz ZKKJUEXLEROXNN-UHFFFAOYSA-N -1 1 419.231 4.057 20 0 HIADMM CCCOC(=O)c1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000048019664 849150990 /nfs/dbraw/zinc/15/09/90/849150990.db2.gz GNNHGWBYPJSABE-UHFFFAOYSA-N -1 1 410.470 4.086 20 0 HIADMM O=C(NCc1ccncc1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000048080698 849161236 /nfs/dbraw/zinc/16/12/36/849161236.db2.gz FJCQUQFYTHSJEL-UHFFFAOYSA-N -1 1 416.264 4.276 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1 ZINC000048296107 849204244 /nfs/dbraw/zinc/20/42/44/849204244.db2.gz RQGNRDAAALOJGK-UHFFFAOYSA-N -1 1 401.923 4.274 20 0 HIADMM COCCN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436804161 861993543 /nfs/dbraw/zinc/99/35/43/861993543.db2.gz AXSYHHLAWKAALW-UHFFFAOYSA-N -1 1 404.713 4.158 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(I)cc2C)c(C)s1 ZINC000048558179 849242065 /nfs/dbraw/zinc/24/20/65/849242065.db2.gz FILNUZWEYXWADS-UHFFFAOYSA-N -1 1 407.298 4.079 20 0 HIADMM COCCN(Cc1ccc(Br)s1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436808372 861995896 /nfs/dbraw/zinc/99/58/96/861995896.db2.gz OSACIQIUTBZKOD-UHFFFAOYSA-N -1 1 404.713 4.158 20 0 HIADMM CC(C)Cc1ccc(CC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000048817343 849271319 /nfs/dbraw/zinc/27/13/19/849271319.db2.gz CPDRTXHROWPNBM-SFHVURJKSA-N -1 1 419.550 4.481 20 0 HIADMM Cc1cn2cc(NC(=O)c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])ccc2n1 ZINC000436813481 861999097 /nfs/dbraw/zinc/99/90/97/861999097.db2.gz PAORRCJVIUSZQZ-UHFFFAOYSA-N -1 1 422.391 4.131 20 0 HIADMM C[C@H](CCCC(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436822178 862006216 /nfs/dbraw/zinc/00/62/16/862006216.db2.gz NSOZOXYPOROGTM-KDOFPFPSSA-N -1 1 422.447 4.387 20 0 HIADMM O=C1CCCCN1Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000050534313 849392312 /nfs/dbraw/zinc/39/23/12/849392312.db2.gz ZSMYSEYJFCADJQ-UHFFFAOYSA-N -1 1 412.433 4.019 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C(C2CC2)C2CC2)cc1 ZINC000050682234 849403156 /nfs/dbraw/zinc/40/31/56/849403156.db2.gz JTCKNZCRIDOZQE-UHFFFAOYSA-N -1 1 416.518 4.196 20 0 HIADMM O=C(NC[C@@H]1CCCCO1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436852640 862029413 /nfs/dbraw/zinc/02/94/13/862029413.db2.gz AWSMXKBKMUUNEX-AWEZNQCLSA-N -1 1 423.296 4.250 20 0 HIADMM O=C(c1cc(I)ccc1[O-])N1CCC[C@@H](c2ccccc2)C1 ZINC000436852199 862030545 /nfs/dbraw/zinc/03/05/45/862030545.db2.gz OGADEEFEJDWQKZ-CQSZACIVSA-N -1 1 407.251 4.017 20 0 HIADMM CC(C)Sc1ccc(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)cc1 ZINC000052357373 849573569 /nfs/dbraw/zinc/57/35/69/849573569.db2.gz WOEVUECZBKFINL-UHFFFAOYSA-N -1 1 405.574 4.278 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])[C@@H]1CCCOC1 ZINC000436856187 862034507 /nfs/dbraw/zinc/03/45/07/862034507.db2.gz LDSRJEQSDITUNH-CQSZACIVSA-N -1 1 423.296 4.202 20 0 HIADMM CSC[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436858216 862038186 /nfs/dbraw/zinc/03/81/86/862038186.db2.gz ZSVZZYXFYSRDIY-CYBMUJFWSA-N -1 1 420.481 4.138 20 0 HIADMM CCOc1ccccc1C(=O)N1CCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436869411 862045855 /nfs/dbraw/zinc/04/58/55/862045855.db2.gz DDOUOUSUPRIWJD-KRWDZBQOSA-N -1 1 413.861 4.472 20 0 HIADMM CCCOc1cccnc1-c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436873362 862050439 /nfs/dbraw/zinc/05/04/39/862050439.db2.gz PGBVDAYVBTZGTB-UHFFFAOYSA-N -1 1 420.263 4.454 20 0 HIADMM CC(C)OCc1c2ccccc2oc1C(=O)[N-]NC(=O)c1cc(-c2ccccc2)on1 ZINC000053674026 849743631 /nfs/dbraw/zinc/74/36/31/849743631.db2.gz AJEBMFPVTIWROD-UHFFFAOYSA-N -1 1 419.437 4.088 20 0 HIADMM CCC(=O)Nc1ccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1 ZINC000053663868 849744030 /nfs/dbraw/zinc/74/40/30/849744030.db2.gz LFYFBBMNNVOBAP-UHFFFAOYSA-N -1 1 409.515 4.293 20 0 HIADMM CCOc1cc(-c2noc(C3(C4CC4)CCOCC3)n2)cc(Br)c1[O-] ZINC000436874734 862052247 /nfs/dbraw/zinc/05/22/47/862052247.db2.gz VEXTWENETZGBTN-UHFFFAOYSA-N -1 1 409.280 4.062 20 0 HIADMM CCOc1cc(-c2noc([C@@H](C)n3ccc4ccccc4c3=O)n2)cc(Cl)c1[O-] ZINC000436875114 862052565 /nfs/dbraw/zinc/05/25/65/862052565.db2.gz WHGUAQIKRAVRCG-GFCCVEGCSA-N -1 1 411.845 4.419 20 0 HIADMM [O-]c1ccc(-c2noc([C@H]3CCO[C@@H]3c3ccnn3Cc3ccccc3)n2)cc1F ZINC000436877014 862053780 /nfs/dbraw/zinc/05/37/80/862053780.db2.gz CRPWUUPIEWEALP-JXFKEZNVSA-N -1 1 406.417 4.071 20 0 HIADMM COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436876695 862054146 /nfs/dbraw/zinc/05/41/46/862054146.db2.gz ATDHGAJNXBXOPX-HNNXBMFYSA-N -1 1 417.824 4.221 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000436881806 862059899 /nfs/dbraw/zinc/05/98/99/862059899.db2.gz OZCREWOTPUZDCF-QGZVFWFLSA-N -1 1 404.304 4.019 20 0 HIADMM COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436880532 862060306 /nfs/dbraw/zinc/06/03/06/862060306.db2.gz ROHKMPNLICYNRS-MRXNPFEDSA-N -1 1 417.824 4.221 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@H](C)c1ccccc1Cl ZINC000054402429 849860371 /nfs/dbraw/zinc/86/03/71/849860371.db2.gz DYCVDRWUZBTGLV-GFCCVEGCSA-N -1 1 414.918 4.477 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000054420428 849863797 /nfs/dbraw/zinc/86/37/97/849863797.db2.gz SAEDHRXLIHFHLE-SFHVURJKSA-N -1 1 406.511 4.214 20 0 HIADMM CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000436887994 862066772 /nfs/dbraw/zinc/06/67/72/862066772.db2.gz SDMHOJXCRANYGY-FQEVSTJZSA-N -1 1 401.850 4.159 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c1 ZINC000436888137 862066965 /nfs/dbraw/zinc/06/69/65/862066965.db2.gz QJEACRWIHPDDLV-UHFFFAOYSA-N -1 1 406.373 4.394 20 0 HIADMM CCOc1ccccc1CN(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000054586207 849891736 /nfs/dbraw/zinc/89/17/36/849891736.db2.gz AGZWSAJJHVIUMN-UHFFFAOYSA-N -1 1 410.543 4.364 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3csc(-c4ccc(C)cc4)n3)no2)c1 ZINC000436891758 862068634 /nfs/dbraw/zinc/06/86/34/862068634.db2.gz HHPHZSJQCPIACR-UHFFFAOYSA-N -1 1 406.467 4.423 20 0 HIADMM O=C1c2ccccc2N[C@H](c2cccc(Br)c2[O-])N1CC(F)(F)F ZINC000054681631 849907151 /nfs/dbraw/zinc/90/71/51/849907151.db2.gz ZFHPMVOSYQVPPY-AWEZNQCLSA-N -1 1 401.182 4.284 20 0 HIADMM Cc1ccnc(-c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)c1 ZINC000436895082 862070325 /nfs/dbraw/zinc/07/03/25/862070325.db2.gz HTXFVPORFYJCJS-UHFFFAOYSA-N -1 1 408.364 4.343 20 0 HIADMM Cc1cccc([C@H](C)CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436904614 862079987 /nfs/dbraw/zinc/07/99/87/862079987.db2.gz YXVUZLJYODCFTJ-WZONZLPQSA-N -1 1 416.521 4.378 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H]2CCC[C@H](C)C2)cc1 ZINC000055485710 850037472 /nfs/dbraw/zinc/03/74/72/850037472.db2.gz HSGWUTGEZGLUGG-HOTGVXAUSA-N -1 1 402.564 4.339 20 0 HIADMM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436912188 862089077 /nfs/dbraw/zinc/08/90/77/862089077.db2.gz GTPFIOCEWMPKRX-UHFFFAOYSA-N -1 1 405.845 4.453 20 0 HIADMM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436912188 862089086 /nfs/dbraw/zinc/08/90/86/862089086.db2.gz GTPFIOCEWMPKRX-UHFFFAOYSA-N -1 1 405.845 4.453 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC2CCC(C)CC2)cc1 ZINC000055491455 850038990 /nfs/dbraw/zinc/03/89/90/850038990.db2.gz CZSVAWLYCIGDGS-UHFFFAOYSA-N -1 1 402.564 4.339 20 0 HIADMM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc1 ZINC000055561405 850054159 /nfs/dbraw/zinc/05/41/59/850054159.db2.gz QDYANTHONIOJMF-UHFFFAOYSA-N -1 1 409.511 4.241 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1)C(C)=O ZINC000055587820 850065437 /nfs/dbraw/zinc/06/54/37/850065437.db2.gz SFKZDNKGVUOCQY-UHFFFAOYSA-N -1 1 418.559 4.281 20 0 HIADMM O=C1CCCN1c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000055588359 850066018 /nfs/dbraw/zinc/06/60/18/850066018.db2.gz MBOQCVDTJROBEJ-UHFFFAOYSA-N -1 1 403.262 4.060 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3)ccc2C)c1 ZINC000055601734 850075330 /nfs/dbraw/zinc/07/53/30/850075330.db2.gz SLUUSXZRQONINT-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@H](C)c1cc2ccccc2o1 ZINC000055605918 850076679 /nfs/dbraw/zinc/07/66/79/850076679.db2.gz XXRZADQPDAHFEO-CQSZACIVSA-N -1 1 418.515 4.326 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H](C)c1cc2ccccc2o1 ZINC000055605917 850076953 /nfs/dbraw/zinc/07/69/53/850076953.db2.gz XXRZADQPDAHFEO-AWEZNQCLSA-N -1 1 418.515 4.326 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)Cc3ccccc3)c2)c(C)s1 ZINC000055633934 850084870 /nfs/dbraw/zinc/08/48/70/850084870.db2.gz JETKWFOWGBVNQI-UHFFFAOYSA-N -1 1 418.515 4.486 20 0 HIADMM O=C(NC1CC1)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1Cl ZINC000055639470 850086755 /nfs/dbraw/zinc/08/67/55/850086755.db2.gz FISDHOKDMXDJLO-UHFFFAOYSA-N -1 1 400.887 4.186 20 0 HIADMM O=C(COc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1)Nc1ccccc1 ZINC000055644125 850087841 /nfs/dbraw/zinc/08/78/41/850087841.db2.gz IHBGMZHLMMMMMF-UHFFFAOYSA-N -1 1 416.886 4.158 20 0 HIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000055648192 850093631 /nfs/dbraw/zinc/09/36/31/850093631.db2.gz ZYDYKNGFQCSWCQ-UHFFFAOYSA-N -1 1 410.923 4.068 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(F)c3)c2)cc1 ZINC000055663080 850103174 /nfs/dbraw/zinc/10/31/74/850103174.db2.gz CQTNDSCQUDYUOC-UHFFFAOYSA-N -1 1 414.458 4.164 20 0 HIADMM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc(Br)ccc1[O-] ZINC000436921750 862103666 /nfs/dbraw/zinc/10/36/66/862103666.db2.gz UQHICIGDBAJSIE-CYBMUJFWSA-N -1 1 409.255 4.137 20 0 HIADMM COc1ccccc1[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)N1CCCCC1 ZINC000436924960 862105580 /nfs/dbraw/zinc/10/55/80/862105580.db2.gz YIIAUNDHCXGCHM-GOSISDBHSA-N -1 1 406.885 4.150 20 0 HIADMM CS[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000056061909 850236048 /nfs/dbraw/zinc/23/60/48/850236048.db2.gz NAVGMNJACWMCBM-NSHDSACASA-N -1 1 418.462 4.196 20 0 HIADMM O=C(N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)C(=O)c1ccc([O-])cc1 ZINC000436932249 862110924 /nfs/dbraw/zinc/11/09/24/862110924.db2.gz MUXUPOHVUCFCKD-QGZVFWFLSA-N -1 1 413.271 4.013 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000436940639 862117437 /nfs/dbraw/zinc/11/74/37/862117437.db2.gz XCSDLWZCUMCWOQ-UHFFFAOYSA-N -1 1 419.250 4.455 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2cccc3ccccc32)c(=O)[n-]1 ZINC000056363767 850336037 /nfs/dbraw/zinc/33/60/37/850336037.db2.gz QXGAPCWYTDFJIK-HXUWFJFHSA-N -1 1 407.539 4.250 20 0 HIADMM COc1ccccc1-c1noc(C2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)n1 ZINC000436948919 862125588 /nfs/dbraw/zinc/12/55/88/862125588.db2.gz KVEPOFHLFPQNMY-UHFFFAOYSA-N -1 1 413.861 4.124 20 0 HIADMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000056805247 850489965 /nfs/dbraw/zinc/48/99/65/850489965.db2.gz POQJLQDBOAANRI-LJQANCHMSA-N -1 1 414.889 4.174 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(OCC(C)C)c2)c1 ZINC000436959187 862138322 /nfs/dbraw/zinc/13/83/22/862138322.db2.gz LVEXCDKSDRGOKO-UHFFFAOYSA-N -1 1 409.442 4.228 20 0 HIADMM CC(C)c1csc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000436957694 862138345 /nfs/dbraw/zinc/13/83/45/862138345.db2.gz ZYIRTAKWRHXJSR-LJQANCHMSA-N -1 1 423.538 4.046 20 0 HIADMM COc1cc(-c2noc(-c3ccoc3C(F)(F)F)n2)cc(Br)c1[O-] ZINC000436957485 862139228 /nfs/dbraw/zinc/13/92/28/862139228.db2.gz VPRNRGDPRPWFKG-UHFFFAOYSA-N -1 1 405.126 4.492 20 0 HIADMM CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436959217 862140512 /nfs/dbraw/zinc/14/05/12/862140512.db2.gz MCKLGUGNPQRKFB-UHFFFAOYSA-N -1 1 410.445 4.240 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)c(C)c2)c1 ZINC000436970215 862148051 /nfs/dbraw/zinc/14/80/51/862148051.db2.gz KXYFXFUJQGPKTQ-UHFFFAOYSA-N -1 1 409.442 4.289 20 0 HIADMM COC(=O)Nc1cccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)c1 ZINC000057364488 850616617 /nfs/dbraw/zinc/61/66/17/850616617.db2.gz GSCHBKYHGMHDOT-UHFFFAOYSA-N -1 1 411.487 4.123 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1)N1CCCC1 ZINC000057470572 850646346 /nfs/dbraw/zinc/64/63/46/850646346.db2.gz KBDUFFZZKMHEPH-UHFFFAOYSA-N -1 1 406.507 4.390 20 0 HIADMM O=C(Nc1ccc(F)cc1Br)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000057756793 850710113 /nfs/dbraw/zinc/71/01/13/850710113.db2.gz QYUWKFAYPUIUFT-UHFFFAOYSA-N -1 1 421.266 4.421 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)cc2OC(C)C)c1 ZINC000436985058 862164038 /nfs/dbraw/zinc/16/40/38/862164038.db2.gz BWEKHOKFHMCRLU-UHFFFAOYSA-N -1 1 413.405 4.120 20 0 HIADMM CCOC(=O)C1=C(NC(=O)c2ccc(-c3cnco3)cc2)[N-]c2ccccc2N=C1C ZINC000058035978 850755817 /nfs/dbraw/zinc/75/58/17/850755817.db2.gz JYXPYSICRSVLCS-UHFFFAOYSA-N -1 1 416.437 4.064 20 0 HIADMM CCCCS[C@@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000058107913 850768304 /nfs/dbraw/zinc/76/83/04/850768304.db2.gz ACYQCCQPPHFILI-AWEZNQCLSA-N -1 1 410.536 4.487 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000058137405 850772167 /nfs/dbraw/zinc/77/21/67/850772167.db2.gz HOTQVDFJFOMICD-UHFFFAOYSA-N -1 1 410.433 4.221 20 0 HIADMM Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000058142610 850773070 /nfs/dbraw/zinc/77/30/70/850773070.db2.gz DLTCXTCDTXHDHS-KRWDZBQOSA-N -1 1 410.495 4.202 20 0 HIADMM COc1cc2c(cc1OC)CN(Cn1c(CCC3CCCC3)n[n-]c1=S)CC2 ZINC000058204813 850781357 /nfs/dbraw/zinc/78/13/57/850781357.db2.gz JEOPOLYDJHAOAC-UHFFFAOYSA-N -1 1 402.564 4.096 20 0 HIADMM CCCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000058272168 850790380 /nfs/dbraw/zinc/79/03/80/850790380.db2.gz BDNXMICOAHECGD-UHFFFAOYSA-N -1 1 414.449 4.210 20 0 HIADMM CCC(CC)N(CCOC)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000058458884 850830579 /nfs/dbraw/zinc/83/05/79/850830579.db2.gz QFAPFSRUENGQHJ-UHFFFAOYSA-N -1 1 418.559 4.073 20 0 HIADMM COc1cccc(C=C2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)c1 ZINC000437001834 862174822 /nfs/dbraw/zinc/17/48/22/862174822.db2.gz PGBXAGTXFPUYMG-UHFFFAOYSA-N -1 1 402.288 4.483 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4ccc(F)cc43)c2)cc1 ZINC000059006916 850979008 /nfs/dbraw/zinc/97/90/08/850979008.db2.gz UGZWNPUUXRULMB-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000059849721 851017580 /nfs/dbraw/zinc/01/75/80/851017580.db2.gz QHOWGBASABYGNA-UHFFFAOYSA-N -1 1 420.538 4.356 20 0 HIADMM O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cc(Cl)ccc1[O-] ZINC000060238169 851054602 /nfs/dbraw/zinc/05/46/02/851054602.db2.gz KFCOIFFZPZPHQQ-UHFFFAOYSA-N -1 1 404.857 4.223 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000060274798 851058572 /nfs/dbraw/zinc/05/85/72/851058572.db2.gz OCIYYRYIBAJPFX-UHFFFAOYSA-N -1 1 415.515 4.098 20 0 HIADMM O=C(NCc1ccc(F)c(Cl)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000060355622 851075130 /nfs/dbraw/zinc/07/51/30/851075130.db2.gz MKLLOMYSBTYXOF-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000060376642 851083352 /nfs/dbraw/zinc/08/33/52/851083352.db2.gz IMWBGBBEMVQDLB-UHFFFAOYSA-N -1 1 411.435 4.181 20 0 HIADMM Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412026 851090718 /nfs/dbraw/zinc/09/07/18/851090718.db2.gz BLKOSGKOTUZDOL-UHFFFAOYSA-N -1 1 420.490 4.210 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1 ZINC000060488620 851117458 /nfs/dbraw/zinc/11/74/58/851117458.db2.gz YXYHFSQUSACGMW-UHFFFAOYSA-N -1 1 420.534 4.215 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1nc2ccccc2c(C)c1Cl ZINC000060528652 851135015 /nfs/dbraw/zinc/13/50/15/851135015.db2.gz XZPMLNMWERHHMQ-UHFFFAOYSA-N -1 1 424.888 4.238 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000063091507 851615233 /nfs/dbraw/zinc/61/52/33/851615233.db2.gz CGSBHFXCXNXXKA-UHFFFAOYSA-N -1 1 410.417 4.134 20 0 HIADMM CCCCC1CCC(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(OC)cc2)CC1 ZINC000063109980 851617547 /nfs/dbraw/zinc/61/75/47/851617547.db2.gz BSBNVXDDOJYSHD-UHFFFAOYSA-N -1 1 402.564 4.481 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](C)CC3)c2)cc1 ZINC000063273933 851647723 /nfs/dbraw/zinc/64/77/23/851647723.db2.gz ZPHORJAXNBSRQV-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)c2ccccc12 ZINC000063443835 851691331 /nfs/dbraw/zinc/69/13/31/851691331.db2.gz RBTQFVIKESZDNN-UHFFFAOYSA-N -1 1 404.875 4.261 20 0 HIADMM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)[N-]NC(=O)Cc1c[nH]c2ccccc12 ZINC000063636288 851730727 /nfs/dbraw/zinc/73/07/27/851730727.db2.gz CNBOYSKJZCVCOD-UHFFFAOYSA-N -1 1 418.522 4.220 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1OC ZINC000063879331 851783844 /nfs/dbraw/zinc/78/38/44/851783844.db2.gz FDCKZPPEBDKEDL-UHFFFAOYSA-N -1 1 404.513 4.300 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2)n1 ZINC000063911910 851791122 /nfs/dbraw/zinc/79/11/22/851791122.db2.gz HIBDHYAJRKQHCR-UHFFFAOYSA-N -1 1 411.380 4.411 20 0 HIADMM CCCCNC(=O)N[N-]C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000064882170 852013402 /nfs/dbraw/zinc/01/34/02/852013402.db2.gz WEJHAUTWFFCBPG-UHFFFAOYSA-N -1 1 422.894 4.144 20 0 HIADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c(C)c1 ZINC000064938011 852026445 /nfs/dbraw/zinc/02/64/45/852026445.db2.gz ZNTLOJQLVBYYPF-UHFFFAOYSA-N -1 1 418.462 4.157 20 0 HIADMM Cc1[nH]c2ccc(CNC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cc2c1C ZINC000065018531 852041514 /nfs/dbraw/zinc/04/15/14/852041514.db2.gz BCJYEUWXBDRQAJ-UHFFFAOYSA-N -1 1 405.498 4.295 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C(C3CC3)C3CC3)cc2)cc1C ZINC000065143007 852077321 /nfs/dbraw/zinc/07/73/21/852077321.db2.gz WOMJVSZPUDFVET-UHFFFAOYSA-N -1 1 412.555 4.365 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(F)cc1 ZINC000065160446 852081188 /nfs/dbraw/zinc/08/11/88/852081188.db2.gz OHKLYRFWPHQJNU-UHFFFAOYSA-N -1 1 420.412 4.181 20 0 HIADMM CC(=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccc(F)cc1 ZINC000065647822 852208722 /nfs/dbraw/zinc/20/87/22/852208722.db2.gz KBESJHBKYPORGE-UILAEWCASA-N -1 1 407.470 4.282 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(SC)cc2)cc1 ZINC000065758736 852247014 /nfs/dbraw/zinc/24/70/14/852247014.db2.gz ANSJIADSEXXERZ-UHFFFAOYSA-N -1 1 414.556 4.045 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(F)c(F)cc1F ZINC000437147016 862340661 /nfs/dbraw/zinc/34/06/61/862340661.db2.gz LKQKXIMYSCTFBU-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CCCOc1ccc(C(=O)N[N-]C(=O)c2oc3c(c2C)c(C)ccc3C)cc1OC ZINC000065891080 852305814 /nfs/dbraw/zinc/30/58/14/852305814.db2.gz BWPYSHFDACXLOY-UHFFFAOYSA-N -1 1 410.470 4.230 20 0 HIADMM COc1cc(C(=O)N[N-]C(=O)c2oc3c(c2C)c(C)ccc3C)ccc1OC(C)C ZINC000065891074 852306105 /nfs/dbraw/zinc/30/61/05/852306105.db2.gz WWYWOMIYUOIYHT-UHFFFAOYSA-N -1 1 410.470 4.229 20 0 HIADMM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1Cl ZINC000069604297 852398520 /nfs/dbraw/zinc/39/85/20/852398520.db2.gz PIRIWAWAPGOMNR-NSHDSACASA-N -1 1 413.779 4.290 20 0 HIADMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000071928924 852433465 /nfs/dbraw/zinc/43/34/65/852433465.db2.gz PZDSUTROPNCRGU-GFCCVEGCSA-N -1 1 405.292 4.069 20 0 HIADMM CCc1nc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)sc1C ZINC000071961102 852447540 /nfs/dbraw/zinc/44/75/40/852447540.db2.gz XOPWQZVXFNGVHR-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000071976052 852452367 /nfs/dbraw/zinc/45/23/67/852452367.db2.gz BWRDJHPXYIREBA-UHFFFAOYSA-N -1 1 411.257 4.462 20 0 HIADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000097552594 852630128 /nfs/dbraw/zinc/63/01/28/852630128.db2.gz NEKXWVVVLMREJP-UHFFFAOYSA-N -1 1 404.967 4.349 20 0 HIADMM CC(C)n1c(CCNC(=O)c2cc(-c3cccnc3)nc3ccccc32)n[n-]c1=S ZINC000097552803 852630437 /nfs/dbraw/zinc/63/04/37/852630437.db2.gz QWXBSDVKUFWIIE-UHFFFAOYSA-N -1 1 418.526 4.104 20 0 HIADMM O=C(Nc1cccc(O)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000098066601 852652296 /nfs/dbraw/zinc/65/22/96/852652296.db2.gz NLYTWYOKWGBOHB-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3c3ccccn3)c2)c1 ZINC000108893184 852890439 /nfs/dbraw/zinc/89/04/39/852890439.db2.gz DHYIKENUKYUUGR-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(Br)cc1[O-] ZINC000109364999 852959163 /nfs/dbraw/zinc/95/91/63/852959163.db2.gz BWEUAIOEQVJVOU-UHFFFAOYSA-N -1 1 404.182 4.326 20 0 HIADMM Cn1c2ccc(Cl)cc2nc1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000109432088 852969625 /nfs/dbraw/zinc/96/96/25/852969625.db2.gz GMSHPJFEEYLLKX-UHFFFAOYSA-N -1 1 418.935 4.238 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC3CCCC3)c2)cc1F ZINC000109432737 852970069 /nfs/dbraw/zinc/97/00/69/852970069.db2.gz OQHCONKMPRMECL-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CN(Cc1ccccc1Cl)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110015065 853046742 /nfs/dbraw/zinc/04/67/42/853046742.db2.gz ZMXXXYYYRPFNBR-OAQYLSRUSA-N -1 1 422.912 4.462 20 0 HIADMM CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000110015056 853047173 /nfs/dbraw/zinc/04/71/73/853047173.db2.gz UHKBBMCEQSSVEK-NRFANRHFSA-N -1 1 404.466 4.187 20 0 HIADMM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1Cl ZINC000110016165 853048386 /nfs/dbraw/zinc/04/83/86/853048386.db2.gz MPZHAEZDXDBIJQ-IBGZPJMESA-N -1 1 424.884 4.451 20 0 HIADMM CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110076111 853056640 /nfs/dbraw/zinc/05/66/40/853056640.db2.gz MNQAEBCNZXSKSH-OAQYLSRUSA-N -1 1 422.912 4.462 20 0 HIADMM CCCC[C@H]1CCC[C@@H]1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000110776676 853152051 /nfs/dbraw/zinc/15/20/51/853152051.db2.gz FAZXHWPHOCCQEH-YJBOKZPZSA-N -1 1 402.564 4.481 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2nnc(-c3ccsc3)s2)cc1 ZINC000110886065 853162421 /nfs/dbraw/zinc/16/24/21/853162421.db2.gz WKFDKNIVIHQJES-UHFFFAOYSA-N -1 1 414.541 4.135 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 ZINC000111069647 853196796 /nfs/dbraw/zinc/19/67/96/853196796.db2.gz HCOSYMACGQFRJD-UHFFFAOYSA-N -1 1 423.542 4.083 20 0 HIADMM COc1ccc(C[C@H](C)N(C)C(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000116404345 853300841 /nfs/dbraw/zinc/30/08/41/853300841.db2.gz WZYNPJKOXBUCEY-AWEZNQCLSA-N -1 1 416.572 4.157 20 0 HIADMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000116405344 853302159 /nfs/dbraw/zinc/30/21/59/853302159.db2.gz VPNVHVORWORMMS-IUCAKERBSA-N -1 1 418.223 4.400 20 0 HIADMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2s1 ZINC000117334066 853353934 /nfs/dbraw/zinc/35/39/34/853353934.db2.gz OXPGZWKLCCXIDQ-UHFFFAOYSA-N -1 1 403.529 4.453 20 0 HIADMM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000126199061 853370934 /nfs/dbraw/zinc/37/09/34/853370934.db2.gz KWPCRRUIWBDHLI-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM CSCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000134858366 853374364 /nfs/dbraw/zinc/37/43/64/853374364.db2.gz KSUHLBSIIXQISM-SSDOTTSWSA-N -1 1 407.182 4.176 20 0 HIADMM CSc1nc(C)c(CCC(=O)O[C@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000138234243 853380935 /nfs/dbraw/zinc/38/09/35/853380935.db2.gz VNOMUOTUBBFFCZ-SNVBAGLBSA-N -1 1 401.315 4.344 20 0 HIADMM CCOc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1OCC ZINC000139950880 853427970 /nfs/dbraw/zinc/42/79/70/853427970.db2.gz ZAGMMNITZFJIAO-UHFFFAOYSA-N -1 1 418.544 4.495 20 0 HIADMM C[C@@H]1CN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)C[C@@H](c2ccccc2)O1 ZINC000143475254 853516209 /nfs/dbraw/zinc/51/62/09/853516209.db2.gz BCTVXTBVWDVWAR-ZBFHGGJFSA-N -1 1 414.556 4.048 20 0 HIADMM CCCCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1[C@H](CC)N(C)C ZINC000195538576 853672209 /nfs/dbraw/zinc/67/22/09/853672209.db2.gz LLAIHFYFRXAAMH-KRWDZBQOSA-N -1 1 416.547 4.195 20 0 HIADMM Cc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000207814617 853804891 /nfs/dbraw/zinc/80/48/91/853804891.db2.gz GNYQRKRKPMBQMU-WHIOSMTNSA-N -1 1 412.445 4.076 20 0 HIADMM COc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c([O-])c1 ZINC000219147195 853867980 /nfs/dbraw/zinc/86/79/80/853867980.db2.gz ABGFZJRXSSKDHL-UHFFFAOYSA-N -1 1 422.506 4.222 20 0 HIADMM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)CC3 ZINC000238123695 854145355 /nfs/dbraw/zinc/14/53/55/854145355.db2.gz FZIBXXBYLAVHHG-UHFFFAOYSA-N -1 1 420.856 4.108 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccnn3[C@@H](C)C3CC3)c2)cc1 ZINC000247988119 854171843 /nfs/dbraw/zinc/17/18/43/854171843.db2.gz LENFJHDNEWRZMB-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000261389423 854244877 /nfs/dbraw/zinc/24/48/77/854244877.db2.gz GKVAKIVJBUGKFI-UHFFFAOYSA-N -1 1 404.297 4.442 20 0 HIADMM Cc1sc2[nH]c([C@H](C)Sc3nc(C(F)(F)F)cc(=O)[n-]3)nc(=O)c2c1C ZINC000261395003 854246482 /nfs/dbraw/zinc/24/64/82/854246482.db2.gz IWWIPIDWOSFXFX-ZETCQYMHSA-N -1 1 402.423 4.381 20 0 HIADMM C[C@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1cccc2ccccc21 ZINC000261404146 854250179 /nfs/dbraw/zinc/25/01/79/854250179.db2.gz NXZVBPTUGDHIPN-NSHDSACASA-N -1 1 407.417 4.324 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccnc(OCc4ccccc4)c3)nc2)[n-]c(=O)c1C ZINC000301380631 854376808 /nfs/dbraw/zinc/37/68/08/854376808.db2.gz UCVNQFXSLNYQLU-UHFFFAOYSA-N -1 1 413.481 4.447 20 0 HIADMM Cc1nc(-c2ccc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc2)[n-]c(=O)c1C ZINC000301403609 854384536 /nfs/dbraw/zinc/38/45/36/854384536.db2.gz RZUGXVBZEHVNFV-UHFFFAOYSA-N -1 1 413.522 4.109 20 0 HIADMM Cc1csc([C@@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)n1 ZINC000301564911 854421010 /nfs/dbraw/zinc/42/10/10/854421010.db2.gz KEOUDFDWDQJNJA-LLVKDONJSA-N -1 1 410.471 4.099 20 0 HIADMM Cc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c(OC[C@H]2CCOC2)c1 ZINC000301576541 854423438 /nfs/dbraw/zinc/42/34/38/854423438.db2.gz QWSZMEOEMCCYGS-SFHVURJKSA-N -1 1 420.513 4.197 20 0 HIADMM Cc1cnc([C@@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)s1 ZINC000301600556 854427359 /nfs/dbraw/zinc/42/73/59/854427359.db2.gz YZTCTXPSUCYAGF-LLVKDONJSA-N -1 1 410.471 4.099 20 0 HIADMM CC(C)(C)n1ncc2c1ncnc2Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000301891176 854486409 /nfs/dbraw/zinc/48/64/09/854486409.db2.gz ODCRJAQTIHKMQK-UHFFFAOYSA-N -1 1 423.498 4.174 20 0 HIADMM Cc1nc(-c2ccc(NC[C@@H](C)c3nc(-c4ccccc4)no3)nc2)[n-]c(=O)c1C ZINC000301894119 854487410 /nfs/dbraw/zinc/48/74/10/854487410.db2.gz WTUFULAZNCYFJT-CYBMUJFWSA-N -1 1 402.458 4.127 20 0 HIADMM Cc1nc(-c2ccc(N3CCC(c4c[nH]c5ncccc45)CC3)nc2)[n-]c(=O)c1C ZINC000301978504 854507794 /nfs/dbraw/zinc/50/77/94/854507794.db2.gz GSJFAUFWSMOECI-UHFFFAOYSA-N -1 1 400.486 4.121 20 0 HIADMM Cc1nc(-c2ccc(N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)nc2)[n-]c(=O)c1C ZINC000302024334 854518213 /nfs/dbraw/zinc/51/82/13/854518213.db2.gz HBNGVYSTRRPMHV-HNNXBMFYSA-N -1 1 413.884 4.344 20 0 HIADMM COc1cccc(CC2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)CC2)c1 ZINC000302190063 854546292 /nfs/dbraw/zinc/54/62/92/854546292.db2.gz VIOVQDOFSIRZFM-UHFFFAOYSA-N -1 1 404.514 4.329 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1oc2ccccc2c1COc1ccccc1 ZINC000302219468 854552909 /nfs/dbraw/zinc/55/29/09/854552909.db2.gz ABULIEINQDPLJA-UHFFFAOYSA-N -1 1 402.332 4.401 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N[C@H](c1ccccc1)c1ccncc1 ZINC000302764055 854626191 /nfs/dbraw/zinc/62/61/91/854626191.db2.gz HFOPXQKMYNJTLJ-LJQANCHMSA-N -1 1 421.551 4.360 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccnn3C(C)C)ccc2C)c1 ZINC000302833591 854648530 /nfs/dbraw/zinc/64/85/30/854648530.db2.gz PLVPVKYUHDZPGL-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccc[nH]1 ZINC000302835733 854649770 /nfs/dbraw/zinc/64/97/70/854649770.db2.gz BBTOZKNKNSUUBL-UHFFFAOYSA-N -1 1 409.389 4.087 20 0 HIADMM COCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)o1 ZINC000302874065 854662578 /nfs/dbraw/zinc/66/25/78/854662578.db2.gz BLVKUYKWISIDGP-UHFFFAOYSA-N -1 1 414.483 4.096 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C(F)(F)F)ccc2O)c1 ZINC000302991317 854712712 /nfs/dbraw/zinc/71/27/12/854712712.db2.gz WGQXQXKQADCUAZ-UHFFFAOYSA-N -1 1 408.405 4.279 20 0 HIADMM CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccn1 ZINC000303113474 854766915 /nfs/dbraw/zinc/76/69/15/854766915.db2.gz LJTGXDXVQTUELD-OAQYLSRUSA-N -1 1 410.495 4.437 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H]3C3CCC3)c2)cc1F ZINC000303122919 854772115 /nfs/dbraw/zinc/77/21/15/854772115.db2.gz AMZKMWCMGACXHQ-OAQYLSRUSA-N -1 1 416.518 4.340 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303680637 855128781 /nfs/dbraw/zinc/12/87/81/855128781.db2.gz MHLVBOVOSLSVBR-UHFFFAOYSA-N -1 1 406.120 4.112 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000303794730 855201763 /nfs/dbraw/zinc/20/17/63/855201763.db2.gz IONYIFVFAVKFFO-IBGZPJMESA-N -1 1 424.526 4.113 20 0 HIADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)c1ccncc1 ZINC000303923420 855293497 /nfs/dbraw/zinc/29/34/97/855293497.db2.gz OOTYBBKHAPZVSY-NRFANRHFSA-N -1 1 409.511 4.072 20 0 HIADMM CCCN(C(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000303928939 855298201 /nfs/dbraw/zinc/29/82/01/855298201.db2.gz WVBMJXLMPLLQOX-ZWKOTPCHSA-N -1 1 416.591 4.358 20 0 HIADMM O=S(=O)([N-]c1cc(Br)ccc1Cl)c1c(Cl)nc2ccccn21 ZINC000315343986 855378223 /nfs/dbraw/zinc/37/82/23/855378223.db2.gz KQNJQJZIFKIJFY-UHFFFAOYSA-N -1 1 421.103 4.204 20 0 HIADMM O=S(=O)([N-]c1cccnc1Br)c1cc(C(F)(F)F)ccc1Cl ZINC000318446045 855383317 /nfs/dbraw/zinc/38/33/17/855383317.db2.gz TXHNTQWVOYNBJX-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM O=C([O-])C[C@@H](NCc1cc(Br)ccc1OC(F)F)c1cccs1 ZINC000319891258 855387361 /nfs/dbraw/zinc/38/73/61/855387361.db2.gz YDLWUPCSSWGWLT-LLVKDONJSA-N -1 1 406.248 4.418 20 0 HIADMM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1c(Cl)cc(Cl)cc1Cl ZINC000381526721 855431437 /nfs/dbraw/zinc/43/14/37/855431437.db2.gz ZDNTZZJKKIDKDC-UHFFFAOYSA-N -1 1 405.734 4.483 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000392127372 855463173 /nfs/dbraw/zinc/46/31/73/855463173.db2.gz IYBGUTPWHBASNQ-UHFFFAOYSA-N -1 1 422.222 4.471 20 0 HIADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1Br ZINC000409452489 855485524 /nfs/dbraw/zinc/48/55/24/855485524.db2.gz MURJCNBPKFPKNW-UHFFFAOYSA-N -1 1 400.276 4.461 20 0 HIADMM Cc1cc(C)c(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000409776963 855648712 /nfs/dbraw/zinc/64/87/12/855648712.db2.gz XGOQZJCCVREYPZ-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM O=C([N-]c1nnc(-c2cc(Br)ccc2F)s1)c1ccc(Cl)o1 ZINC000410027523 855785173 /nfs/dbraw/zinc/78/51/73/855785173.db2.gz CPLBTMNZFCRQLR-UHFFFAOYSA-N -1 1 402.632 4.605 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cc2ccccc2s1 ZINC000410286154 855903704 /nfs/dbraw/zinc/90/37/04/855903704.db2.gz GYGBUAPIOGWGNR-GFCCVEGCSA-N -1 1 406.529 4.062 20 0 HIADMM Cc1cccc2oc(CC[N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)nc21 ZINC000410323042 855928624 /nfs/dbraw/zinc/92/86/24/855928624.db2.gz LAHOOVNUGCOLLL-UHFFFAOYSA-N -1 1 403.262 4.103 20 0 HIADMM CN(c1ccccc1[N-]S(=O)(=O)c1ccccc1Cn1ccnc1)C1CCCC1 ZINC000410332782 855934087 /nfs/dbraw/zinc/93/40/87/855934087.db2.gz MVKZDIIPEKOTKI-UHFFFAOYSA-N -1 1 410.543 4.111 20 0 HIADMM CC(C)Oc1c(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC000410400051 855975156 /nfs/dbraw/zinc/97/51/56/855975156.db2.gz YDADXOOWEIQJCA-UHFFFAOYSA-N -1 1 421.368 4.131 20 0 HIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000410417959 855986937 /nfs/dbraw/zinc/98/69/37/855986937.db2.gz MWTDYJVFXIYOJX-UHFFFAOYSA-N -1 1 420.332 4.267 20 0 HIADMM Cc1nc(CCCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cs1 ZINC000426178098 856157422 /nfs/dbraw/zinc/15/74/22/856157422.db2.gz JSPMHUCKLJIBGY-UHFFFAOYSA-N -1 1 415.540 4.214 20 0 HIADMM COc1ccc(C(=O)Nc2cccc(CN[C@@H](CC(=O)[O-])c3ccsc3)c2)cc1 ZINC000426691424 856415247 /nfs/dbraw/zinc/41/52/47/856415247.db2.gz HUZKTTMRMYVPHA-FQEVSTJZSA-N -1 1 410.495 4.315 20 0 HIADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1Br ZINC000426727061 856436708 /nfs/dbraw/zinc/43/67/08/856436708.db2.gz MJMQLUSFKRFCOG-IBGZPJMESA-N -1 1 414.303 4.249 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1cc2c(cc(C)cc2C)[nH]1)C(=O)[O-] ZINC000426741967 856446727 /nfs/dbraw/zinc/44/67/27/856446727.db2.gz NUKMLEPYXICWHS-IBGZPJMESA-N -1 1 417.303 4.471 20 0 HIADMM COc1cc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc2c1OCCO2 ZINC000426751321 856455006 /nfs/dbraw/zinc/45/50/06/856455006.db2.gz UZQUCNXVLXKLOA-OAHLLOKOSA-N -1 1 412.269 4.079 20 0 HIADMM COc1cc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000426752692 856455972 /nfs/dbraw/zinc/45/59/72/856455972.db2.gz BCVFLOUBIIDMCB-OAHLLOKOSA-N -1 1 414.285 4.325 20 0 HIADMM Cc1cc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)sc1Br ZINC000426755700 856458989 /nfs/dbraw/zinc/45/89/89/856458989.db2.gz FFMFUNOKYKSTPO-INIZCTEOSA-N -1 1 420.332 4.310 20 0 HIADMM O=C([O-])[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(Cl)c(F)c1 ZINC000426757547 856460125 /nfs/dbraw/zinc/46/01/25/856460125.db2.gz DDMOQEJORAAMMS-INIZCTEOSA-N -1 1 400.233 4.209 20 0 HIADMM O=C([O-])C[C@H](NCc1cccc(OC2CCCC2)c1)c1cnn(-c2ccccc2)c1 ZINC000426760253 856462222 /nfs/dbraw/zinc/46/22/22/856462222.db2.gz ZITRUUJFYBIUFA-QHCPKHFHSA-N -1 1 405.498 4.499 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc(Br)c(Cl)s2)c1 ZINC000426789493 856479028 /nfs/dbraw/zinc/47/90/28/856479028.db2.gz VIDWPOBJRISRLG-ZDUSSCGKSA-N -1 1 404.713 4.478 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(-c3cccs3)s2)c1OC ZINC000426819365 856496029 /nfs/dbraw/zinc/49/60/29/856496029.db2.gz HYZSXMBFQPQUHT-AWEZNQCLSA-N -1 1 404.513 4.194 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccsc3)s2)c1OC ZINC000426820630 856497194 /nfs/dbraw/zinc/49/71/94/856497194.db2.gz LYWFBAVVDOGMCZ-OAHLLOKOSA-N -1 1 404.513 4.194 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000437455534 862820123 /nfs/dbraw/zinc/82/01/23/862820123.db2.gz UFNNPFDMRHAUSL-UAPYVXQJSA-N -1 1 424.497 4.303 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Sc4nncs4)cc3)cc2s1 ZINC000427141060 856664726 /nfs/dbraw/zinc/66/47/26/856664726.db2.gz YBWLQLRYKWBIIM-UHFFFAOYSA-N -1 1 420.566 4.408 20 0 HIADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000427183300 856697121 /nfs/dbraw/zinc/69/71/21/856697121.db2.gz CPZWISYOWVIOMF-VQTJNVASSA-N -1 1 418.584 4.282 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Oc4nccc(C)n4)cc3)cc2s1 ZINC000427261492 856741481 /nfs/dbraw/zinc/74/14/81/856741481.db2.gz YBIJOVZKGWSQAQ-UHFFFAOYSA-N -1 1 412.496 4.296 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(cc(C)c(=O)n3C)c2)cc1Cl ZINC000427307961 856763504 /nfs/dbraw/zinc/76/35/04/856763504.db2.gz KTPFOHWTNVAYCG-UHFFFAOYSA-N -1 1 408.932 4.023 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H]4CCCC[C@@H]4C3)c2)c1 ZINC000427333973 856778660 /nfs/dbraw/zinc/77/86/60/856778660.db2.gz DYVQOFZBMJZABM-BGYRXZFFSA-N -1 1 412.555 4.366 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1 ZINC000428211438 857112537 /nfs/dbraw/zinc/11/25/37/857112537.db2.gz UIJMGCWCIXSHTN-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000428522689 857239821 /nfs/dbraw/zinc/23/98/21/857239821.db2.gz NXNUPHDNHPPCKT-LIRRHRJNSA-N -1 1 404.919 4.155 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000428706040 857303528 /nfs/dbraw/zinc/30/35/28/857303528.db2.gz HPAOLMPDVCLUJB-NXEZZACHSA-N -1 1 400.331 4.409 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000428876429 857383773 /nfs/dbraw/zinc/38/37/73/857383773.db2.gz LTNKOYAUPUUFGI-UHFFFAOYSA-N -1 1 417.922 4.136 20 0 HIADMM C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc(O)c1 ZINC000429613829 857794353 /nfs/dbraw/zinc/79/43/53/857794353.db2.gz WMSFWSWDBVUNRS-OAHLLOKOSA-N -1 1 411.483 4.076 20 0 HIADMM Cc1ccc(NC(=O)Cc2cncs2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000437639812 862968766 /nfs/dbraw/zinc/96/87/66/862968766.db2.gz DQPKEBOQQDXGID-UHFFFAOYSA-N -1 1 421.931 4.087 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)c1 ZINC000430358322 858132990 /nfs/dbraw/zinc/13/29/90/858132990.db2.gz UHNTXOWEHDKLLZ-UHFFFAOYSA-N -1 1 414.449 4.459 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3-c3ncc4n3CCCC4)ccc2O1 ZINC000430375626 858139538 /nfs/dbraw/zinc/13/95/38/858139538.db2.gz YOLSBGDWCKLNDF-HNNXBMFYSA-N -1 1 409.511 4.011 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H]3CC[C@H](C)C3)cc2)cc1 ZINC000430457421 858174350 /nfs/dbraw/zinc/17/43/50/858174350.db2.gz QOOSBMNBYYKSAW-LPHOPBHVSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@H]1CC[C@@H](C)C1 ZINC000430457969 858175629 /nfs/dbraw/zinc/17/56/29/858175629.db2.gz MFDMCYDMGNOACH-KDOFPFPSSA-N -1 1 404.507 4.196 20 0 HIADMM CCc1csc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)n1 ZINC000430556057 858217146 /nfs/dbraw/zinc/21/71/46/858217146.db2.gz TVSBBRREPBVPJW-UHFFFAOYSA-N -1 1 412.696 4.215 20 0 HIADMM COc1ccccc1CSc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000431177257 858488614 /nfs/dbraw/zinc/48/86/14/858488614.db2.gz GVXVIIJITAYDLC-QGZVFWFLSA-N -1 1 407.557 4.298 20 0 HIADMM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1nc(C2CCCCC2)no1 ZINC000431304037 858555249 /nfs/dbraw/zinc/55/52/49/858555249.db2.gz CWDOZMODPWGHOO-NSHDSACASA-N -1 1 401.891 4.090 20 0 HIADMM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000431313566 858559544 /nfs/dbraw/zinc/55/95/44/858559544.db2.gz PLEQPDBHUGPUOK-DGCLKSJQSA-N -1 1 422.761 4.480 20 0 HIADMM Cc1ccccc1[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)(C)C ZINC000431419724 858605595 /nfs/dbraw/zinc/60/55/95/858605595.db2.gz HUUONBLONJSXCU-OAQYLSRUSA-N -1 1 404.514 4.307 20 0 HIADMM C[C@@H](C(=O)Nc1cc([O-])c(Br)cc1Br)N1[C@H](C)CC[C@@H]1C ZINC000431442581 858617894 /nfs/dbraw/zinc/61/78/94/858617894.db2.gz DFCYBAPTPLZSOL-AEJSXWLSSA-N -1 1 420.145 4.117 20 0 HIADMM Cc1cccc(OCC(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC000431446371 858619835 /nfs/dbraw/zinc/61/98/35/858619835.db2.gz QRLYXCRWEQPRLP-UHFFFAOYSA-N -1 1 415.081 4.243 20 0 HIADMM CCCOc1cccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000431623084 858695133 /nfs/dbraw/zinc/69/51/33/858695133.db2.gz HXYBJXGFGLNKHO-UHFFFAOYSA-N -1 1 424.522 4.457 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cc1OC ZINC000432053043 858951701 /nfs/dbraw/zinc/95/17/01/858951701.db2.gz CYWSIAKSRTUVOQ-UHFFFAOYSA-N -1 1 403.422 4.345 20 0 HIADMM CO[C@@H]1CCC[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000432055175 858954653 /nfs/dbraw/zinc/95/46/53/858954653.db2.gz YMESTONGLKUBOB-FXAWDEMLSA-N -1 1 416.543 4.248 20 0 HIADMM CO[C@@H]1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000432059361 858957377 /nfs/dbraw/zinc/95/73/77/858957377.db2.gz BFMSORUOSJRZSV-KBXCAEBGSA-N -1 1 422.934 4.285 20 0 HIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000432073042 858969201 /nfs/dbraw/zinc/96/92/01/858969201.db2.gz VQFXTMUMJXXLAP-UHFFFAOYSA-N -1 1 406.660 4.245 20 0 HIADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000432186588 859037767 /nfs/dbraw/zinc/03/77/67/859037767.db2.gz PPTZSTHUGARMSB-UHFFFAOYSA-N -1 1 421.849 4.158 20 0 HIADMM Cc1ccc2c(c1)CN(C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)C2 ZINC000432422014 859157737 /nfs/dbraw/zinc/15/77/37/859157737.db2.gz CBZHFPMUDBMQQO-UHFFFAOYSA-N -1 1 407.495 4.344 20 0 HIADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)n1 ZINC000432588835 859242831 /nfs/dbraw/zinc/24/28/31/859242831.db2.gz QRXXYRZCVCQXMB-CQSZACIVSA-N -1 1 413.934 4.825 20 0 HIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1csc(-c2cnccn2)n1 ZINC000432620338 859258345 /nfs/dbraw/zinc/25/83/45/859258345.db2.gz UEPQVIMEHIGEBD-AWEZNQCLSA-N -1 1 420.523 4.172 20 0 HIADMM COC(=O)c1c[n-]c(SCc2csc(-c3ccc(Br)cc3)n2)n1 ZINC000432653039 859275195 /nfs/dbraw/zinc/27/51/95/859275195.db2.gz DXBSKYNYPGXKHP-UHFFFAOYSA-N -1 1 410.318 4.375 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(-c4cscn4)no3)c2)c1 ZINC000432690396 859296368 /nfs/dbraw/zinc/29/63/68/859296368.db2.gz PZWDAOUWJZRLAF-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nccc(C)n3)c2)cc1Cl ZINC000432780115 859357278 /nfs/dbraw/zinc/35/72/78/859357278.db2.gz MRNZVZGKWWQWGF-UHFFFAOYSA-N -1 1 403.891 4.223 20 0 HIADMM CCC(CC)n1nccc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000432784202 859358383 /nfs/dbraw/zinc/35/83/83/859358383.db2.gz NNMJIDILPXDFRG-UHFFFAOYSA-N -1 1 412.515 4.297 20 0 HIADMM COc1ccc(NC(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)cc1[N-]S(C)(=O)=O ZINC000433013496 859478635 /nfs/dbraw/zinc/47/86/35/859478635.db2.gz OKQMLRHCZPRKHY-IBGZPJMESA-N -1 1 423.510 4.067 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000433529931 859759817 /nfs/dbraw/zinc/75/98/17/859759817.db2.gz VSEFBPFHWWBHTD-UHFFFAOYSA-N -1 1 401.532 4.458 20 0 HIADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1cccnc1 ZINC000433757630 859878850 /nfs/dbraw/zinc/87/88/50/859878850.db2.gz OQNOUUFPUIWLES-CYBMUJFWSA-N -1 1 406.857 4.472 20 0 HIADMM CCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000433805491 859902797 /nfs/dbraw/zinc/90/27/97/859902797.db2.gz NOSPEELBAKEKNH-UHFFFAOYSA-N -1 1 404.713 4.474 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC1(Cc2ccccc2)CCC1 ZINC000467702088 881497191 /nfs/dbraw/zinc/49/71/91/881497191.db2.gz CIKLWKXDOQLIRQ-UHFFFAOYSA-N -1 1 416.525 4.014 20 0 HIADMM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1occc1Br ZINC000434069483 860078682 /nfs/dbraw/zinc/07/86/82/860078682.db2.gz CRRMZKHBESVJOZ-UHFFFAOYSA-N -1 1 401.142 4.098 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(C)cc1OCCCC(C)C ZINC000467703354 881499232 /nfs/dbraw/zinc/49/92/32/881499232.db2.gz UQECNWMAGKGPRL-UHFFFAOYSA-N -1 1 403.548 4.266 20 0 HIADMM Cc1ccc(NC(=O)CC[C@H]2CCOC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000434230595 860215699 /nfs/dbraw/zinc/21/56/99/860215699.db2.gz XBDFBMQQUFRUSQ-HNNXBMFYSA-N -1 1 422.934 4.204 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000434314741 860276305 /nfs/dbraw/zinc/27/63/05/860276305.db2.gz HFPKBIXPYSDRTG-CQSZACIVSA-N -1 1 409.511 4.283 20 0 HIADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000434318738 860279662 /nfs/dbraw/zinc/27/96/62/860279662.db2.gz YTHDQIBUYGVTCQ-MRXNPFEDSA-N -1 1 406.573 4.091 20 0 HIADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000434634708 860441553 /nfs/dbraw/zinc/44/15/53/860441553.db2.gz SXIUXGMTXDPRER-UHFFFAOYSA-N -1 1 406.248 4.154 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(-c3cc(C)c(C)cc3C)n[nH]2)ccc1C ZINC000434966149 860578733 /nfs/dbraw/zinc/57/87/33/860578733.db2.gz ASAMTNZGZMDYPA-UHFFFAOYSA-N -1 1 412.515 4.070 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC000435190935 860688001 /nfs/dbraw/zinc/68/80/01/860688001.db2.gz AXHRSWNVYVZXTG-UHFFFAOYSA-N -1 1 411.527 4.402 20 0 HIADMM COc1ccc(CCC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1OC ZINC000435433000 860797321 /nfs/dbraw/zinc/79/73/21/860797321.db2.gz LNZKOVMYLGODST-UHFFFAOYSA-N -1 1 422.305 4.061 20 0 HIADMM O=S(=O)([N-]Cc1cccc(OC(F)F)c1)c1c(Cl)cc(F)cc1Cl ZINC000435447287 860801383 /nfs/dbraw/zinc/80/13/83/860801383.db2.gz ONXVRJMAFSRXOG-UHFFFAOYSA-N -1 1 400.205 4.212 20 0 HIADMM CC(C)(CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(F)(F)F ZINC000435533304 860848410 /nfs/dbraw/zinc/84/84/10/860848410.db2.gz IFSLWOBSGCGOKY-UHFFFAOYSA-N -1 1 400.422 4.405 20 0 HIADMM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1c(Cl)cccc1C(F)(F)F ZINC000467793984 881616296 /nfs/dbraw/zinc/61/62/96/881616296.db2.gz CSEXGRXOQUJBEN-KBPBESRZSA-N -1 1 407.845 4.018 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1c(Cl)cccc1C(F)(F)F ZINC000467793985 881617200 /nfs/dbraw/zinc/61/72/00/881617200.db2.gz CSEXGRXOQUJBEN-KGLIPLIRSA-N -1 1 407.845 4.018 20 0 HIADMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)n1 ZINC000438044933 863406872 /nfs/dbraw/zinc/40/68/72/863406872.db2.gz PGZUAIFKZIWIET-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CC[C@H](SC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438065624 863443572 /nfs/dbraw/zinc/44/35/72/863443572.db2.gz NHYGTKXWFGDECJ-INIZCTEOSA-N -1 1 416.927 4.360 20 0 HIADMM COc1cc(NC(=O)N2CCCC3(C2)CCCCCC3)ccc1[N-]S(C)(=O)=O ZINC000438071952 863457845 /nfs/dbraw/zinc/45/78/45/863457845.db2.gz IZOYKYOXWKWOAT-UHFFFAOYSA-N -1 1 409.552 4.035 20 0 HIADMM CCc1ncsc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000438238259 863683527 /nfs/dbraw/zinc/68/35/27/863683527.db2.gz MSAULBKNSZIOPL-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCCC(C)(C)C3)cc2)cc1 ZINC000438504498 863925044 /nfs/dbraw/zinc/92/50/44/863925044.db2.gz JTTQIFYQDXESET-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)c(=O)[n-]1 ZINC000467869258 881726423 /nfs/dbraw/zinc/72/64/23/881726423.db2.gz SHMCURYWWJTCAT-UHFFFAOYSA-N -1 1 409.914 4.000 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Br)c3)c3cccc1c23 ZINC000438731262 864216713 /nfs/dbraw/zinc/21/67/13/864216713.db2.gz ZFEKYCGLMSAFAP-UHFFFAOYSA-N -1 1 421.247 4.108 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1 ZINC000438756240 864249575 /nfs/dbraw/zinc/24/95/75/864249575.db2.gz OZJAFZCHSLNXCS-UHFFFAOYSA-N -1 1 414.449 4.297 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c(F)c1 ZINC000438775129 864269053 /nfs/dbraw/zinc/26/90/53/864269053.db2.gz LHJDCLYHKJASGS-UHFFFAOYSA-N -1 1 422.821 4.165 20 0 HIADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000438774955 864270007 /nfs/dbraw/zinc/27/00/07/864270007.db2.gz PGOURWCYFXGUCL-UHFFFAOYSA-N -1 1 417.556 4.096 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)c1 ZINC000438778277 864272925 /nfs/dbraw/zinc/27/29/25/864272925.db2.gz QXYIARWMKFKCHG-UHFFFAOYSA-N -1 1 404.875 4.475 20 0 HIADMM Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cn2)cc1 ZINC000438782802 864276880 /nfs/dbraw/zinc/27/68/80/864276880.db2.gz AYFSVLOLAMTSRC-UHFFFAOYSA-N -1 1 418.858 4.335 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1Br ZINC000438786667 864279985 /nfs/dbraw/zinc/27/99/85/864279985.db2.gz QOHLZUAIPYAFEF-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1Br ZINC000438801949 864292227 /nfs/dbraw/zinc/29/22/27/864292227.db2.gz OKKPSVBFNLXBFZ-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(F)c(Br)c1 ZINC000438812354 864304030 /nfs/dbraw/zinc/30/40/30/864304030.db2.gz TYDVJFNOEQIDAW-UHFFFAOYSA-N -1 1 409.074 4.152 20 0 HIADMM CCOC(=O)c1ccc(C(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000438883120 864369044 /nfs/dbraw/zinc/36/90/44/864369044.db2.gz LMCRVUNNNUSEGC-UHFFFAOYSA-N -1 1 408.479 4.309 20 0 HIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000438889767 864373322 /nfs/dbraw/zinc/37/33/22/864373322.db2.gz XWBRQAVWVGCNJB-UHFFFAOYSA-N -1 1 412.230 4.117 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)c1nc(Cc2ccccc2)no1 ZINC000438960417 864430012 /nfs/dbraw/zinc/43/00/12/864430012.db2.gz HIUHCWBOEMFQGS-CYBMUJFWSA-N -1 1 405.545 4.059 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000438996573 864453051 /nfs/dbraw/zinc/45/30/51/864453051.db2.gz HOMZBIPTPHPCRO-UPVQGACJSA-N -1 1 418.518 4.330 20 0 HIADMM Cc1cscc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000439172940 864601172 /nfs/dbraw/zinc/60/11/72/864601172.db2.gz WFWCSLMQSLGQDW-UHFFFAOYSA-N -1 1 408.451 4.388 20 0 HIADMM COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(Br)cc3[O-])C2)cc1 ZINC000439946761 865241119 /nfs/dbraw/zinc/24/11/19/865241119.db2.gz CKKGRKUMWYZEIE-OAHLLOKOSA-N -1 1 404.304 4.258 20 0 HIADMM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])Cc1cccs1 ZINC000439988253 865298134 /nfs/dbraw/zinc/29/81/34/865298134.db2.gz IPDSCUSTKWURRZ-KKSFZXQISA-N -1 1 422.550 4.207 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCC2(C1)CCCCC2 ZINC000440187829 865412966 /nfs/dbraw/zinc/41/29/66/865412966.db2.gz FJOCDGTWTMNFJO-NRFANRHFSA-N -1 1 406.526 4.333 20 0 HIADMM Cc1ccc(Sc2nsc([N-]C(=O)c3cn(-c4cccc(C)c4)nn3)n2)cc1 ZINC000440318950 865589271 /nfs/dbraw/zinc/58/92/71/865589271.db2.gz WEWVBUHESDXRSI-UHFFFAOYSA-N -1 1 408.512 4.139 20 0 HIADMM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)O1 ZINC000440366728 865649333 /nfs/dbraw/zinc/64/93/33/865649333.db2.gz MCGVWPYWBMVIMM-KBXCAEBGSA-N -1 1 422.934 4.427 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)c1nc(C2CC2)no1 ZINC000440382051 865672132 /nfs/dbraw/zinc/67/21/32/865672132.db2.gz RRWNJWVUZUYVNB-MRXNPFEDSA-N -1 1 405.907 4.429 20 0 HIADMM Cc1noc(C2CCC([N-]S(=O)(=O)c3c(Cl)cccc3C(F)(F)F)CC2)n1 ZINC000440395156 865688224 /nfs/dbraw/zinc/68/82/24/865688224.db2.gz AWCUJEMJOZKPKW-UHFFFAOYSA-N -1 1 423.844 4.055 20 0 HIADMM CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000440825723 865940652 /nfs/dbraw/zinc/94/06/52/865940652.db2.gz RNBVZCRCEVCBKX-UHFFFAOYSA-N -1 1 417.405 4.166 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCCC(F)(F)F)c1 ZINC000440880841 865977118 /nfs/dbraw/zinc/97/71/18/865977118.db2.gz APACGQBHMMXVTI-UHFFFAOYSA-N -1 1 418.412 4.007 20 0 HIADMM CC(C)(C)c1nc(=NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)s[n-]1 ZINC000441220989 866296053 /nfs/dbraw/zinc/29/60/53/866296053.db2.gz FLUHUEDHBSFHKS-ZDUSSCGKSA-N -1 1 404.927 4.156 20 0 HIADMM CCc1ncsc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000442031021 867075269 /nfs/dbraw/zinc/07/52/69/867075269.db2.gz NUWORMDEANCIGV-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000442103587 867130007 /nfs/dbraw/zinc/13/00/07/867130007.db2.gz APSDNHGKBBAFHZ-UHFFFAOYSA-N -1 1 409.813 4.185 20 0 HIADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cc1 ZINC000442234379 867270087 /nfs/dbraw/zinc/27/00/87/867270087.db2.gz OTDJPNVWRCVYHW-UHFFFAOYSA-N -1 1 414.449 4.029 20 0 HIADMM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(Cl)c([O-])c(OC)c4)CC3)c2c1 ZINC000442853862 867698298 /nfs/dbraw/zinc/69/82/98/867698298.db2.gz MWZLLCPATIMPHJ-UHFFFAOYSA-N -1 1 412.873 4.474 20 0 HIADMM CCOc1ccc(Br)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442967527 867768893 /nfs/dbraw/zinc/76/88/93/867768893.db2.gz UOLQXGODLRUXIP-UHFFFAOYSA-N -1 1 400.656 4.468 20 0 HIADMM COc1cc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc(Cl)c1[O-] ZINC000443057731 867805662 /nfs/dbraw/zinc/80/56/62/867805662.db2.gz KYZTXZRHSLLDQH-GFCCVEGCSA-N -1 1 406.935 4.409 20 0 HIADMM COc1cc(C(=O)Nc2cc(OC)c(Br)c(OC)c2)cc(Cl)c1[O-] ZINC000443117075 867827546 /nfs/dbraw/zinc/82/75/46/867827546.db2.gz DUIVUWOBACISAC-UHFFFAOYSA-N -1 1 416.655 4.086 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)c(OC)c1 ZINC000443151590 867845678 /nfs/dbraw/zinc/84/56/78/867845678.db2.gz IPHAKEMGSHLERO-UHFFFAOYSA-N -1 1 424.689 4.243 20 0 HIADMM COc1cc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000443220185 867880543 /nfs/dbraw/zinc/88/05/43/867880543.db2.gz ICOOCTHSUNAAIX-RCBQFDQVSA-N -1 1 409.910 4.169 20 0 HIADMM COc1cc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc(Cl)c1[O-] ZINC000443321527 867904327 /nfs/dbraw/zinc/90/43/27/867904327.db2.gz NRUMYOXQAWHNBN-INIZCTEOSA-N -1 1 415.795 4.287 20 0 HIADMM CC[C@@H](C)OCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000443381422 867942806 /nfs/dbraw/zinc/94/28/06/867942806.db2.gz COACHTZLOSDLKM-CQSZACIVSA-N -1 1 410.923 4.203 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)ccc1F ZINC000443397951 867957530 /nfs/dbraw/zinc/95/75/30/867957530.db2.gz GVFNXSUYVHQYMV-UHFFFAOYSA-N -1 1 405.476 4.017 20 0 HIADMM CCOc1cc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)ccc1OC ZINC000443403647 867967971 /nfs/dbraw/zinc/96/79/71/867967971.db2.gz BPKADAWILITZCP-UHFFFAOYSA-N -1 1 404.513 4.327 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1 ZINC000443407237 867988249 /nfs/dbraw/zinc/98/82/49/867988249.db2.gz HQOVMGOYFFILAS-MRXNPFEDSA-N -1 1 416.543 4.067 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)ccc1F ZINC000443417619 868001798 /nfs/dbraw/zinc/00/17/98/868001798.db2.gz QECBMHSJVOXBGZ-UHFFFAOYSA-N -1 1 413.776 4.230 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)cc1 ZINC000443422605 868006171 /nfs/dbraw/zinc/00/61/71/868006171.db2.gz LYFKFXGNKCYCNC-UHFFFAOYSA-N -1 1 419.396 4.406 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)ccc1C ZINC000443462606 868051714 /nfs/dbraw/zinc/05/17/14/868051714.db2.gz HOTXJGZMTVCIPH-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000443528013 868084813 /nfs/dbraw/zinc/08/48/13/868084813.db2.gz IEAJJNNLMJWAPE-QGZVFWFLSA-N -1 1 423.538 4.362 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000444353481 868782966 /nfs/dbraw/zinc/78/29/66/868782966.db2.gz QQGBMZMODVPSBC-UHFFFAOYSA-N -1 1 423.444 4.100 20 0 HIADMM COc1cc(C)c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cc1OC ZINC000444373486 868797826 /nfs/dbraw/zinc/79/78/26/868797826.db2.gz LDYRVTGOLAYQGI-UHFFFAOYSA-N -1 1 412.486 4.033 20 0 HIADMM CC(C)Cn1ncc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1C1CC1 ZINC000444380639 868801582 /nfs/dbraw/zinc/80/15/82/868801582.db2.gz NTCOPIUVOUBXCL-UHFFFAOYSA-N -1 1 424.545 4.437 20 0 HIADMM Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cnn1-c1ccccc1 ZINC000444389512 868804829 /nfs/dbraw/zinc/80/48/29/868804829.db2.gz BRZZSGXMZUTKPW-UHFFFAOYSA-N -1 1 418.497 4.201 20 0 HIADMM CN(C(=O)c1nc[n-]c1C(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000444465273 868839899 /nfs/dbraw/zinc/83/98/99/868839899.db2.gz HCYGXLQKZZQHOX-UHFFFAOYSA-N -1 1 411.461 4.496 20 0 HIADMM Cc1noc(C2CC2)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000468309482 882236234 /nfs/dbraw/zinc/23/62/34/882236234.db2.gz RPJUXSQWOUBVIQ-UHFFFAOYSA-N -1 1 411.483 4.222 20 0 HIADMM CC[C@@H](C)[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(F)(F)F ZINC000444541581 868875209 /nfs/dbraw/zinc/87/52/09/868875209.db2.gz HWJXHCFIQXRMBG-CXAGYDPISA-N -1 1 414.449 4.194 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000444573079 868887044 /nfs/dbraw/zinc/88/70/44/868887044.db2.gz FJIPACFUIOTKTB-JOCHJYFZSA-N -1 1 422.488 4.274 20 0 HIADMM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000444623631 868915153 /nfs/dbraw/zinc/91/51/53/868915153.db2.gz JWPSRADXVMXALL-KRWDZBQOSA-N -1 1 420.435 4.103 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC34CCC4)c2)cc1F ZINC000444630072 868919944 /nfs/dbraw/zinc/91/99/44/868919944.db2.gz MSHJTUDSKXKMLN-UHFFFAOYSA-N -1 1 402.491 4.094 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C[C@H](C)c3ccc(C(C)C)cc3)CC2)n1 ZINC000444759823 868989785 /nfs/dbraw/zinc/98/97/85/868989785.db2.gz IPUILPFONPVPCJ-INIZCTEOSA-N -1 1 412.534 4.005 20 0 HIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000468350498 882288050 /nfs/dbraw/zinc/28/80/50/882288050.db2.gz DWVBSMONKVWMNW-UHFFFAOYSA-N -1 1 417.922 4.117 20 0 HIADMM COc1cc(-c2noc(COC/C=C/c3ccccc3)n2)cc(Br)c1[O-] ZINC000445391166 869477510 /nfs/dbraw/zinc/47/75/10/869477510.db2.gz JKNHXQLMQUZFLE-VMPITWQZSA-N -1 1 417.259 4.443 20 0 HIADMM COc1cc(-c2noc(-c3occc3Br)n2)cc(Br)c1[O-] ZINC000445397874 869482845 /nfs/dbraw/zinc/48/28/45/869482845.db2.gz NDGNUZFLALAMKI-UHFFFAOYSA-N -1 1 416.025 4.236 20 0 HIADMM COc1cc(-c2noc(C3(c4ccc(F)cc4)CC3)n2)cc(Br)c1[O-] ZINC000445401317 869487008 /nfs/dbraw/zinc/48/70/08/869487008.db2.gz HJZLPRAXVXXTGF-UHFFFAOYSA-N -1 1 405.223 4.432 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(CC)c(S(C)(=O)=O)c3)n2)cc(Cl)c1[O-] ZINC000445411136 869494634 /nfs/dbraw/zinc/49/46/34/869494634.db2.gz IOBSOAIBKSNQPY-UHFFFAOYSA-N -1 1 422.890 4.127 20 0 HIADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)[nH]n1 ZINC000468365718 882306649 /nfs/dbraw/zinc/30/66/49/882306649.db2.gz YQHCUNKWDVXGRX-CHWSQXEVSA-N -1 1 415.943 4.181 20 0 HIADMM CCOc1cc(-c2noc(CN3c4ccccc4CCCC3=O)n2)cc(Cl)c1[O-] ZINC000445423645 869507316 /nfs/dbraw/zinc/50/73/16/869507316.db2.gz YNRXBEKSABRKBT-UHFFFAOYSA-N -1 1 413.861 4.364 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CCCN(C(=O)NCC(C)C)C3)n2)cc(Cl)c1[O-] ZINC000445432978 869518132 /nfs/dbraw/zinc/51/81/32/869518132.db2.gz VUZAMBCKJOHKPC-ZDUSSCGKSA-N -1 1 422.913 4.039 20 0 HIADMM O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000445446298 869527599 /nfs/dbraw/zinc/52/75/99/869527599.db2.gz DCSOCZQESZBVKV-CYBMUJFWSA-N -1 1 401.825 4.255 20 0 HIADMM CSc1ccc(N2C[C@H](c3nc(-c4ccc([O-])cc4Cl)no3)CC2=O)cc1 ZINC000445449779 869529728 /nfs/dbraw/zinc/52/97/28/869529728.db2.gz PKMLBXIBLFSRFJ-LLVKDONJSA-N -1 1 401.875 4.338 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccoc4)no3)cc2)cc1 ZINC000445467188 869541956 /nfs/dbraw/zinc/54/19/56/869541956.db2.gz LUHQKILOZJSPCN-UHFFFAOYSA-N -1 1 411.439 4.196 20 0 HIADMM O=S(=O)(Cc1ccccc1)c1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445476831 869550024 /nfs/dbraw/zinc/55/00/24/869550024.db2.gz ISSXERPYDOSIRD-UHFFFAOYSA-N -1 1 410.426 4.222 20 0 HIADMM COc1ccc(Br)cc1C(=O)CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483029 869554281 /nfs/dbraw/zinc/55/42/81/869554281.db2.gz URQQDZLXFHIOOA-UHFFFAOYSA-N -1 1 421.222 4.168 20 0 HIADMM CCC1(CC)Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(NC(C)=O)c3)cc2O1 ZINC000468371379 882313895 /nfs/dbraw/zinc/31/38/95/882313895.db2.gz JGKFSVQIXIRIDD-UHFFFAOYSA-N -1 1 404.488 4.042 20 0 HIADMM C[C@H](NC(=O)Cc1noc(-c2cc(F)ccc2[O-])n1)c1ccc(Cl)cc1Cl ZINC000445764568 869808936 /nfs/dbraw/zinc/80/89/36/869808936.db2.gz JOWYLOHVWXRLQC-VIFPVBQESA-N -1 1 410.232 4.308 20 0 HIADMM CC(C)C[C@H](C)OCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000445829684 869849288 /nfs/dbraw/zinc/84/92/88/869849288.db2.gz KIHRUBPRNDDTDY-INIZCTEOSA-N -1 1 422.522 4.406 20 0 HIADMM CC(C)C[C@@H](C)OCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000445829875 869849822 /nfs/dbraw/zinc/84/98/22/869849822.db2.gz MPWUMXDAFKJTJS-QGZVFWFLSA-N -1 1 404.532 4.267 20 0 HIADMM Cc1ccc(NC(=O)Cc2c(F)cccc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000445842981 869855953 /nfs/dbraw/zinc/85/59/53/869855953.db2.gz NWGNWWCEVPDGTL-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000445851221 869858602 /nfs/dbraw/zinc/85/86/02/869858602.db2.gz BHNCXHFVGQBBEH-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM C[C@H](CN(C)C(=O)c1c(F)cccc1Sc1ccc(Cl)cc1)c1nn[n-]n1 ZINC000446415475 870323772 /nfs/dbraw/zinc/32/37/72/870323772.db2.gz DNKVPRHVRVKCBA-LLVKDONJSA-N -1 1 405.886 4.019 20 0 HIADMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncco2)cc1 ZINC000446611951 870515613 /nfs/dbraw/zinc/51/56/13/870515613.db2.gz AUMWLBVBSSKIAV-UHFFFAOYSA-N -1 1 406.485 4.200 20 0 HIADMM CCSCc1ccnc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000446757087 870667777 /nfs/dbraw/zinc/66/77/77/870667777.db2.gz QIQSOQAYMSHQPY-UHFFFAOYSA-N -1 1 401.351 4.039 20 0 HIADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)Cc2ccc(Br)cc2)n[nH]1 ZINC000446787710 870706318 /nfs/dbraw/zinc/70/63/18/870706318.db2.gz UVBJSCDCUDRJGM-UHFFFAOYSA-N -1 1 406.305 4.090 20 0 HIADMM Cc1ccc(NC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)n1 ZINC000447180866 871073449 /nfs/dbraw/zinc/07/34/49/871073449.db2.gz KOCYWQSQOQRDHJ-UHFFFAOYSA-N -1 1 424.526 4.163 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1C(=O)N1CCCCC1 ZINC000447255759 871132488 /nfs/dbraw/zinc/13/24/88/871132488.db2.gz HXIMPWQNPATDAU-UHFFFAOYSA-N -1 1 415.540 4.032 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000447260492 871138865 /nfs/dbraw/zinc/13/88/65/871138865.db2.gz LEFUANBPLMOSBA-UHFFFAOYSA-N -1 1 401.341 4.004 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C(F)(F)F)n3)c2)cc1F ZINC000447261755 871141160 /nfs/dbraw/zinc/14/11/60/871141160.db2.gz APQXAMPWUQYEJA-UHFFFAOYSA-N -1 1 401.341 4.004 20 0 HIADMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000447261338 871141976 /nfs/dbraw/zinc/14/19/76/871141976.db2.gz VZVDWMZFVKCNEM-UHFFFAOYSA-N -1 1 402.303 4.244 20 0 HIADMM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cn1 ZINC000447275000 871165028 /nfs/dbraw/zinc/16/50/28/871165028.db2.gz RIAQPSLMSQVWNF-UHFFFAOYSA-N -1 1 413.430 4.081 20 0 HIADMM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1c(Cl)ccc2ccccc21 ZINC000447275970 871168111 /nfs/dbraw/zinc/16/81/11/871168111.db2.gz YXFUTUCTRAUSLP-UHFFFAOYSA-N -1 1 402.838 4.218 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)cc1OC ZINC000447276557 871168347 /nfs/dbraw/zinc/16/83/47/871168347.db2.gz BORJUGYPKMYGNE-UHFFFAOYSA-N -1 1 418.446 4.139 20 0 HIADMM CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)ccc1Cl ZINC000447340772 871237797 /nfs/dbraw/zinc/23/77/97/871237797.db2.gz BKUACIHPGLEPMC-UHFFFAOYSA-N -1 1 409.294 4.307 20 0 HIADMM O=S(=O)(Cc1csc(Cc2ccccc2)n1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447493612 871372656 /nfs/dbraw/zinc/37/26/56/871372656.db2.gz ZVZBIOBGVQXYAZ-UHFFFAOYSA-N -1 1 413.499 4.237 20 0 HIADMM O=S(=O)(Cc1csc(Cc2ccccc2)n1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447493612 871372669 /nfs/dbraw/zinc/37/26/69/871372669.db2.gz ZVZBIOBGVQXYAZ-UHFFFAOYSA-N -1 1 413.499 4.237 20 0 HIADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000468514447 882519606 /nfs/dbraw/zinc/51/96/06/882519606.db2.gz GMGIQIWCQSIFHG-JTQLQIEISA-N -1 1 408.278 4.347 20 0 HIADMM O=C(Nc1ccc2cc[nH]c2c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000447648921 871572762 /nfs/dbraw/zinc/57/27/62/871572762.db2.gz RIOZIYNFAQRKPO-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)c2C1 ZINC000447774647 871703127 /nfs/dbraw/zinc/70/31/27/871703127.db2.gz CSHORHCMOLYWSH-UHFFFAOYSA-N -1 1 414.449 4.344 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1OCC(F)F ZINC000447782831 871715539 /nfs/dbraw/zinc/71/55/39/871715539.db2.gz JRTDGQUTOXMMFZ-UHFFFAOYSA-N -1 1 411.348 4.180 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)ccc1C(F)(F)F ZINC000447786385 871720017 /nfs/dbraw/zinc/72/00/17/871720017.db2.gz JHOQIWQKAAAOKI-UHFFFAOYSA-N -1 1 413.421 4.445 20 0 HIADMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)c2)n1C ZINC000448124855 871996902 /nfs/dbraw/zinc/99/69/02/871996902.db2.gz BZVKOGZAZCHPRG-UHFFFAOYSA-N -1 1 404.495 4.258 20 0 HIADMM CC(C)c1ncc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000448362075 872311242 /nfs/dbraw/zinc/31/12/42/872311242.db2.gz ZMSSRFXLSWLFPF-UHFFFAOYSA-N -1 1 419.503 4.459 20 0 HIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC000460436944 873102950 /nfs/dbraw/zinc/10/29/50/873102950.db2.gz LTUUZKLZQQDILY-UHFFFAOYSA-N -1 1 405.422 4.487 20 0 HIADMM Cc1ccnc(Oc2cc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)ccc2C)c1 ZINC000460496169 873181512 /nfs/dbraw/zinc/18/15/12/873181512.db2.gz KZIONAOZAXSERU-UHFFFAOYSA-N -1 1 417.469 4.037 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cn4)no3)ccc2C)cc1 ZINC000460644412 873384630 /nfs/dbraw/zinc/38/46/30/873384630.db2.gz DJVOJVPAJKJADQ-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)cc2)n[nH]1 ZINC000468611529 882721390 /nfs/dbraw/zinc/72/13/90/882721390.db2.gz WGSXRRIIXSSKJM-UHFFFAOYSA-N -1 1 413.377 4.210 20 0 HIADMM Cc1cccc(C)c1NCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000460693104 873456206 /nfs/dbraw/zinc/45/62/06/873456206.db2.gz MPJKWKYLOFBSJJ-UHFFFAOYSA-N -1 1 409.511 4.155 20 0 HIADMM CCC1(CC)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCS1 ZINC000468620196 882737864 /nfs/dbraw/zinc/73/78/64/882737864.db2.gz NODPZXBOSWIGGI-UHFFFAOYSA-N -1 1 418.584 4.235 20 0 HIADMM COC1(c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)CCCC1 ZINC000460791204 873654873 /nfs/dbraw/zinc/65/48/73/873654873.db2.gz GNIRQTZTFOGJHB-UHFFFAOYSA-N -1 1 417.462 4.092 20 0 HIADMM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc2C)c1 ZINC000460822107 873705080 /nfs/dbraw/zinc/70/50/80/873705080.db2.gz DCGLAEDONBBVCT-UHFFFAOYSA-N -1 1 411.439 4.138 20 0 HIADMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(-c3ncc(C(C)C)o3)cc2)cc1 ZINC000460833684 873721092 /nfs/dbraw/zinc/72/10/92/873721092.db2.gz UVBJSLUHUZUERW-UHFFFAOYSA-N -1 1 416.499 4.294 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)CC(F)(F)F)c1 ZINC000468631634 882762519 /nfs/dbraw/zinc/76/25/19/882762519.db2.gz MNZXHUDWOYXWQY-AWEZNQCLSA-N -1 1 414.449 4.175 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)cc2)c1 ZINC000460976914 873870826 /nfs/dbraw/zinc/87/08/26/873870826.db2.gz DXSYMUCBRXMCRH-NRFANRHFSA-N -1 1 412.555 4.365 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)cc2)cc1C ZINC000460983774 873873652 /nfs/dbraw/zinc/87/36/52/873873652.db2.gz UIYOVMVEOFJVSJ-NRFANRHFSA-N -1 1 412.555 4.365 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CC(C)(C)[C@H]2C2CC2)c1 ZINC000460986051 873874383 /nfs/dbraw/zinc/87/43/83/873874383.db2.gz ZEJINNXOBHQZOF-HXUWFJFHSA-N -1 1 416.518 4.196 20 0 HIADMM CC(=O)c1cc(F)c([N-]C(=O)c2nnn(-c3ccccc3Cl)c2C)c(F)c1F ZINC000461080681 873986980 /nfs/dbraw/zinc/98/69/80/873986980.db2.gz KFMBSXSMZYNYMM-UHFFFAOYSA-N -1 1 408.767 4.101 20 0 HIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000461115976 874040481 /nfs/dbraw/zinc/04/04/81/874040481.db2.gz IKZCIHUUJCLELN-UHFFFAOYSA-N -1 1 402.281 4.250 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC2(C1)CCCCC2 ZINC000461139058 874079644 /nfs/dbraw/zinc/07/96/44/874079644.db2.gz HAZBZEIQIUJZQU-UHFFFAOYSA-N -1 1 416.518 4.423 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000461182025 874168831 /nfs/dbraw/zinc/16/88/31/874168831.db2.gz RAPDAOWXLPWYCO-CQSZACIVSA-N -1 1 424.950 4.074 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000461198038 874197245 /nfs/dbraw/zinc/19/72/45/874197245.db2.gz QYMHXUWGTMCKKQ-OAQYLSRUSA-N -1 1 410.539 4.201 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000461200676 874201665 /nfs/dbraw/zinc/20/16/65/874201665.db2.gz GSOWDPARTMJYLU-KRWDZBQOSA-N -1 1 418.559 4.038 20 0 HIADMM Cc1ccc(CC[C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000461394512 874403093 /nfs/dbraw/zinc/40/30/93/874403093.db2.gz LFTUAWCWUDKZBC-MRXNPFEDSA-N -1 1 412.511 4.140 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)cc1C(=O)N(C)C ZINC000461426910 874460986 /nfs/dbraw/zinc/46/09/86/874460986.db2.gz JYBRHFSBJMTNKH-UHFFFAOYSA-N -1 1 418.559 4.445 20 0 HIADMM Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2)cs1 ZINC000462067675 875178050 /nfs/dbraw/zinc/17/80/50/875178050.db2.gz ZREQQDZQULEJSP-UHFFFAOYSA-N -1 1 408.888 4.271 20 0 HIADMM COc1ccc(-c2nnc([N-]C(=O)c3sc(C(F)(F)F)nc3C)s2)cc1 ZINC000462264909 875391295 /nfs/dbraw/zinc/39/12/95/875391295.db2.gz DDHKYZGOFQSLAO-UHFFFAOYSA-N -1 1 400.407 4.250 20 0 HIADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000462302155 875423340 /nfs/dbraw/zinc/42/33/40/875423340.db2.gz WAEQIAKLMINYNP-HUUCEWRRSA-N -1 1 424.950 4.306 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000462667869 875767394 /nfs/dbraw/zinc/76/73/94/875767394.db2.gz UJRJHMFLYVVNNN-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CC(C)(C)C)cc2)cc1 ZINC000463014802 876032055 /nfs/dbraw/zinc/03/20/55/876032055.db2.gz SPSZGRJYKNUUPT-UHFFFAOYSA-N -1 1 418.559 4.394 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3ncsc3Cl)no2)c1)c1ccccc1 ZINC000463170112 876226241 /nfs/dbraw/zinc/22/62/41/876226241.db2.gz FSPAHZSWSJJJMA-UHFFFAOYSA-N -1 1 418.887 4.314 20 0 HIADMM Cc1cncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000463235909 876291858 /nfs/dbraw/zinc/29/18/58/876291858.db2.gz FVKJQISUDWNJFY-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c3ccccc3)c1)C2 ZINC000463374193 876429629 /nfs/dbraw/zinc/42/96/29/876429629.db2.gz CRDIHPZYKOLHHN-JOCHJYFZSA-N -1 1 422.506 4.046 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)ccc1OC(C)C ZINC000463791314 876910939 /nfs/dbraw/zinc/91/09/39/876910939.db2.gz WTJGNSOLXYSFLJ-UHFFFAOYSA-N -1 1 402.472 4.247 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)ccc1OC(C)C ZINC000463799539 876918018 /nfs/dbraw/zinc/91/80/18/876918018.db2.gz NFYMHOFVNFENCF-UHFFFAOYSA-N -1 1 418.284 4.185 20 0 HIADMM CC[C@@H](C)C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000463914401 877035528 /nfs/dbraw/zinc/03/55/28/877035528.db2.gz GJXGJMPXYZZIHD-CVEARBPZSA-N -1 1 404.532 4.051 20 0 HIADMM CC(C)(C)c1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000464104512 877260967 /nfs/dbraw/zinc/26/09/67/877260967.db2.gz MVLAAKIDPBDGSS-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000464184140 877355768 /nfs/dbraw/zinc/35/57/68/877355768.db2.gz FVYXKQVWKPLZKL-SECBINFHSA-N -1 1 402.822 4.384 20 0 HIADMM O=C(NCCC1CC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000464205922 877375567 /nfs/dbraw/zinc/37/55/67/877375567.db2.gz LYOPMOXWWFPWLN-UHFFFAOYSA-N -1 1 412.433 4.036 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C)CC(F)(F)F)cc1 ZINC000464276030 877463007 /nfs/dbraw/zinc/46/30/07/877463007.db2.gz OJKCLTMBPZZYRU-GFCCVEGCSA-N -1 1 418.412 4.006 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000464417555 877624537 /nfs/dbraw/zinc/62/45/37/877624537.db2.gz HLOMWGGGDUEJNA-UHFFFAOYSA-N -1 1 416.403 4.229 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000464694687 877909978 /nfs/dbraw/zinc/90/99/78/877909978.db2.gz XAJJVTMYYKQQPU-KRWDZBQOSA-N -1 1 420.600 4.366 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000464701515 877920365 /nfs/dbraw/zinc/92/03/65/877920365.db2.gz UQKZPNWTDWEROZ-QGZVFWFLSA-N -1 1 420.600 4.366 20 0 HIADMM CCCC(O)(CCC)CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000464789955 878036913 /nfs/dbraw/zinc/03/69/13/878036913.db2.gz CHUBQNXZVMZWHR-UHFFFAOYSA-N -1 1 418.559 4.456 20 0 HIADMM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)O1 ZINC000464863425 878144416 /nfs/dbraw/zinc/14/44/16/878144416.db2.gz SGHWDCKWAQBEND-SJLPKXTDSA-N -1 1 408.907 4.037 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc2cnccc21 ZINC000465037566 878399121 /nfs/dbraw/zinc/39/91/21/878399121.db2.gz OYHDRCHJTZOVGA-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)s1 ZINC000465387057 878827578 /nfs/dbraw/zinc/82/75/78/878827578.db2.gz FGVKTFAXAXOZIZ-UHFFFAOYSA-N -1 1 423.466 4.091 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)s1 ZINC000465386876 878827650 /nfs/dbraw/zinc/82/76/50/878827650.db2.gz DHYGLLRWRIBWDA-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM CCC(C)(C)C1CCC(NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000503428174 912426277 /nfs/dbraw/zinc/42/62/77/912426277.db2.gz GBFQJNKLUFHIOL-UHFFFAOYSA-N -1 1 411.568 4.183 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000466291131 880036778 /nfs/dbraw/zinc/03/67/78/880036778.db2.gz WTKFFABDUUKIOO-UHFFFAOYSA-N -1 1 408.479 4.366 20 0 HIADMM O=C(N[C@@H]1CCCc2sccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466502294 880276441 /nfs/dbraw/zinc/27/64/41/880276441.db2.gz IBDXTZRVMWMAHJ-LJQANCHMSA-N -1 1 412.536 4.356 20 0 HIADMM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1c(Cl)cc(F)cc1Br ZINC000466728316 880514286 /nfs/dbraw/zinc/51/42/86/880514286.db2.gz NULNBBYQPXRRGK-UHFFFAOYSA-N -1 1 417.687 4.201 20 0 HIADMM O=S(=O)([N-]c1cccc2ccccc21)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466954657 880734885 /nfs/dbraw/zinc/73/48/85/880734885.db2.gz KMMZZFNYROUKCC-HNNXBMFYSA-N -1 1 401.459 4.195 20 0 HIADMM CSc1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1C ZINC000466970734 880769522 /nfs/dbraw/zinc/76/95/22/880769522.db2.gz HQVRGKPPTUZRIS-AWEZNQCLSA-N -1 1 411.520 4.072 20 0 HIADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000466973147 880776085 /nfs/dbraw/zinc/77/60/85/880776085.db2.gz LNRUDFNKSAGZGV-CVEARBPZSA-N -1 1 423.506 4.219 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C ZINC000467079695 880853043 /nfs/dbraw/zinc/85/30/43/880853043.db2.gz PYCKAWBAMNSYQM-UHFFFAOYSA-N -1 1 417.449 4.368 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)cc1 ZINC000467085470 880854563 /nfs/dbraw/zinc/85/45/63/880854563.db2.gz MTGIKGLZETURCB-UHFFFAOYSA-N -1 1 416.572 4.455 20 0 HIADMM Cc1ccccc1CCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467204235 880934601 /nfs/dbraw/zinc/93/46/01/880934601.db2.gz XULIJBPBOUGOIQ-KRWDZBQOSA-N -1 1 407.539 4.306 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)Nc2ccc(OC(F)F)cc2)nc1-c1ccccc1 ZINC000467209228 880937337 /nfs/dbraw/zinc/93/73/37/880937337.db2.gz YYCUPOKDRKNIIM-UHFFFAOYSA-N -1 1 417.437 4.490 20 0 HIADMM Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n(C(C)(C)C)n1 ZINC000467211477 880940861 /nfs/dbraw/zinc/94/08/61/880940861.db2.gz LRORVMIHTUVDBT-UHFFFAOYSA-N -1 1 411.531 4.148 20 0 HIADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000469457231 883665656 /nfs/dbraw/zinc/66/56/56/883665656.db2.gz PHAHHODIYRZREI-OAQYLSRUSA-N -1 1 418.541 4.355 20 0 HIADMM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000469881405 884071647 /nfs/dbraw/zinc/07/16/47/884071647.db2.gz MIKLMFZDDLYIJW-UHFFFAOYSA-N -1 1 412.475 4.127 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)c2)c1 ZINC000469913766 884104668 /nfs/dbraw/zinc/10/46/68/884104668.db2.gz BZVXLOSCUDVYPW-KRWDZBQOSA-N -1 1 414.449 4.113 20 0 HIADMM Cn1cc(Nc2cccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2)cn1 ZINC000469949788 884149687 /nfs/dbraw/zinc/14/96/87/884149687.db2.gz YSOANNWKYCHAHD-UHFFFAOYSA-N -1 1 414.384 4.122 20 0 HIADMM C[C@H]1CC[C@H](C)N(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000470845371 885340262 /nfs/dbraw/zinc/34/02/62/885340262.db2.gz PNJFYPQEPNZZGF-KBPBESRZSA-N -1 1 408.470 4.026 20 0 HIADMM CC(C)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000471127338 885664615 /nfs/dbraw/zinc/66/46/15/885664615.db2.gz LSFQRLJRYCKVIZ-UHFFFAOYSA-N -1 1 407.513 4.035 20 0 HIADMM Cc1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1F ZINC000471231241 885805234 /nfs/dbraw/zinc/80/52/34/885805234.db2.gz DZJBOSJCAHICSR-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM C[C@@H](COc1ccccc1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000471233939 885808346 /nfs/dbraw/zinc/80/83/46/885808346.db2.gz GOLJOHBFSIBOLE-KRWDZBQOSA-N -1 1 410.495 4.141 20 0 HIADMM CCC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000471261504 885840995 /nfs/dbraw/zinc/84/09/95/885840995.db2.gz SAHZNPHQLQXFNO-MRXNPFEDSA-N -1 1 404.532 4.118 20 0 HIADMM CC(C)CCc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n[nH]1 ZINC000471416827 886071231 /nfs/dbraw/zinc/07/12/31/886071231.db2.gz AKNHJAAGCSCTIY-UHFFFAOYSA-N -1 1 412.515 4.051 20 0 HIADMM Cc1nc2c(cccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)o1 ZINC000471643972 886359640 /nfs/dbraw/zinc/35/96/40/886359640.db2.gz TVLWLKQWYVDAQS-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM Cn1ccc2cccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)c21 ZINC000471695479 886404377 /nfs/dbraw/zinc/40/43/77/886404377.db2.gz CUQITCKKOTUCIQ-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM COc1ccc(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000471833813 886590340 /nfs/dbraw/zinc/59/03/40/886590340.db2.gz RIQHMNOEWLQKCE-SNVBAGLBSA-N -1 1 417.314 4.116 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)nc1 ZINC000471952622 886758702 /nfs/dbraw/zinc/75/87/02/886758702.db2.gz NPKHEYRHBBSJGL-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC000471996551 886822233 /nfs/dbraw/zinc/82/22/33/886822233.db2.gz ZOZULDYJFLVHGT-UHFFFAOYSA-N -1 1 402.516 4.491 20 0 HIADMM CCc1cnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)s1 ZINC000472029484 886850939 /nfs/dbraw/zinc/85/09/39/886850939.db2.gz MLNJMEORMUWWHR-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472060885 886869425 /nfs/dbraw/zinc/86/94/25/886869425.db2.gz YXRGXGYNYRFLKQ-NYHFZMIOSA-N -1 1 420.488 4.234 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H]3Cc3ccccc3)c2)cc1 ZINC000472169289 886969386 /nfs/dbraw/zinc/96/93/86/886969386.db2.gz FCTWWVZAKHERHZ-QFIPXVFZSA-N -1 1 420.534 4.253 20 0 HIADMM COc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000504230542 913102889 /nfs/dbraw/zinc/10/28/89/913102889.db2.gz TYAUPNOHOUKLLD-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM O=S(=O)([N-]Cc1ncoc1-c1ccccc1)c1c(Cl)cccc1C(F)(F)F ZINC000472303845 887125817 /nfs/dbraw/zinc/12/58/17/887125817.db2.gz FWDZGCGDDNSCHZ-UHFFFAOYSA-N -1 1 416.808 4.492 20 0 HIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)c1OC ZINC000472533949 887408017 /nfs/dbraw/zinc/40/80/17/887408017.db2.gz AZPXVUXOBDLSGQ-UHFFFAOYSA-N -1 1 407.854 4.191 20 0 HIADMM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472575400 887459465 /nfs/dbraw/zinc/45/94/65/887459465.db2.gz WWVFJOJMPQFJSZ-SECBINFHSA-N -1 1 424.147 4.060 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3cncs3)cc2)c1 ZINC000473184313 887963083 /nfs/dbraw/zinc/96/30/83/887963083.db2.gz DOIXTWSKOAZJFU-HNNXBMFYSA-N -1 1 415.540 4.052 20 0 HIADMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cc(F)c(OC)cc3C)cc2c1C ZINC000473480326 888204486 /nfs/dbraw/zinc/20/44/86/888204486.db2.gz NERODLZFHSYANM-UHFFFAOYSA-N -1 1 421.446 4.175 20 0 HIADMM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)sc1Cl ZINC000473856188 888708075 /nfs/dbraw/zinc/70/80/75/888708075.db2.gz CRYPKCJGQZRQCE-SNVBAGLBSA-N -1 1 415.899 4.247 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000473935227 888813127 /nfs/dbraw/zinc/81/31/27/888813127.db2.gz ARSDWXJZFNIADD-PXAZEXFGSA-N -1 1 404.290 4.189 20 0 HIADMM O=C([O-])CCOc1ccc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)cc1 ZINC000504506674 913296737 /nfs/dbraw/zinc/29/67/37/913296737.db2.gz CVJFHEBWLWMBPZ-UHFFFAOYSA-N -1 1 405.859 4.148 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(N(C)C)o3)cc2)cc1 ZINC000504508401 913298891 /nfs/dbraw/zinc/29/88/91/913298891.db2.gz UMZNRPQYOHRDJC-CQSZACIVSA-N -1 1 400.504 4.117 20 0 HIADMM COCCOc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])c(Cl)c1 ZINC000474194793 889032329 /nfs/dbraw/zinc/03/23/29/889032329.db2.gz FTQNOKJLWSWSOU-UHFFFAOYSA-N -1 1 414.683 4.394 20 0 HIADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000504536556 913315568 /nfs/dbraw/zinc/31/55/68/913315568.db2.gz PLJCIVQERPOEAC-UHFFFAOYSA-N -1 1 401.415 4.000 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000474307155 889172772 /nfs/dbraw/zinc/17/27/72/889172772.db2.gz JGJGQWFXMQJQGT-NDEPHWFRSA-N -1 1 403.548 4.088 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000474558740 889434092 /nfs/dbraw/zinc/43/40/92/889434092.db2.gz PPMYRLUGTWDCOT-UHFFFAOYSA-N -1 1 417.509 4.320 20 0 HIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1coc(C2CCOCC2)n1 ZINC000474742039 889597998 /nfs/dbraw/zinc/59/79/98/889597998.db2.gz HZAZGTXGUYFYKS-UHFFFAOYSA-N -1 1 408.530 4.026 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc2[nH]ccc2s1 ZINC000474777812 889635587 /nfs/dbraw/zinc/63/55/87/889635587.db2.gz UJQBJWCEMJKTTH-UHFFFAOYSA-N -1 1 415.471 4.422 20 0 HIADMM COc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)cc1[N-]S(C)(=O)=O ZINC000475392938 890319216 /nfs/dbraw/zinc/31/92/16/890319216.db2.gz PIBYSZDNCZNQJR-QGZVFWFLSA-N -1 1 421.519 4.117 20 0 HIADMM CCCn1ccc2cc(NC(=O)Nc3ccc(OC)c([N-]S(C)(=O)=O)c3)ccc21 ZINC000475394493 890321132 /nfs/dbraw/zinc/32/11/32/890321132.db2.gz RQAHLZAHLISKNW-UHFFFAOYSA-N -1 1 416.503 4.075 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1[N-]S(C)(=O)=O ZINC000475397641 890325976 /nfs/dbraw/zinc/32/59/76/890325976.db2.gz XDUIOUOLZUEYLV-KRWDZBQOSA-N -1 1 423.922 4.089 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(C)CCC(C)CC2)cc1 ZINC000504718300 913454030 /nfs/dbraw/zinc/45/40/30/913454030.db2.gz ZSDHOESFHGILSU-UHFFFAOYSA-N -1 1 400.544 4.494 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CNc3ccccc3)c2)c1 ZINC000475564061 890494059 /nfs/dbraw/zinc/49/40/59/890494059.db2.gz SPLPZAHTOVPEPQ-SFHVURJKSA-N -1 1 423.538 4.026 20 0 HIADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)cc1F ZINC000475738148 890680561 /nfs/dbraw/zinc/68/05/61/890680561.db2.gz IJIFNKIFNXPZEI-JTQLQIEISA-N -1 1 401.385 4.058 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c(Br)c1 ZINC000475822641 890756319 /nfs/dbraw/zinc/75/63/19/890756319.db2.gz WFPVXIPYSVVGDJ-UHFFFAOYSA-N -1 1 407.289 4.254 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3ccc(C)o3)ccc2C)ccc1[O-] ZINC000475837311 890769431 /nfs/dbraw/zinc/76/94/31/890769431.db2.gz VQHNJXALNAWPRD-UHFFFAOYSA-N -1 1 400.456 4.028 20 0 HIADMM Cc1nc(C(=O)[N-]c2nnc(-c3ccco3)s2)nn1-c1c(Cl)cccc1Cl ZINC000476154715 891079011 /nfs/dbraw/zinc/07/90/11/891079011.db2.gz KUOUGTPGLDOPNU-UHFFFAOYSA-N -1 1 421.269 4.246 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1 ZINC000476286579 891204104 /nfs/dbraw/zinc/20/41/04/891204104.db2.gz VMDNAQPYEVABOZ-UHFFFAOYSA-N -1 1 412.433 4.051 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(COC(C)(C)C)c3C)cc21 ZINC000476384158 891298283 /nfs/dbraw/zinc/29/82/83/891298283.db2.gz BNIKYWNKCWSNCC-UHFFFAOYSA-N -1 1 416.543 4.020 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)c(C)c1 ZINC000476384715 891300064 /nfs/dbraw/zinc/30/00/64/891300064.db2.gz DDILFFPCIMTKSX-UHFFFAOYSA-N -1 1 405.516 4.206 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C[S@](=O)Cc3ccccc3)c2)c1 ZINC000476408643 891322651 /nfs/dbraw/zinc/32/26/51/891322651.db2.gz KLVYRYJYIXAXIG-HHHXNRCGSA-N -1 1 417.527 4.384 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000504829528 913549149 /nfs/dbraw/zinc/54/91/49/913549149.db2.gz YNVYHZJVPPHLBA-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c2ccccc12 ZINC000476458450 891371446 /nfs/dbraw/zinc/37/14/46/891371446.db2.gz MJQWVOJLJADBPZ-UHFFFAOYSA-N -1 1 424.400 4.498 20 0 HIADMM CC1(C)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@H]1c1ccncc1 ZINC000476463730 891376907 /nfs/dbraw/zinc/37/69/07/891376907.db2.gz VDYWZHOVPUQZJQ-NRFANRHFSA-N -1 1 421.522 4.106 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@@H](C)[C@H]3C)c2)cc1 ZINC000476571627 891491810 /nfs/dbraw/zinc/49/18/10/891491810.db2.gz KKYGKMZSLPIBJY-BRWVUGGUSA-N -1 1 416.543 4.003 20 0 HIADMM COc1ccc(-c2csc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)n2)cc1 ZINC000476574270 891494607 /nfs/dbraw/zinc/49/46/07/891494607.db2.gz YKOXUNVLXQRGKH-UHFFFAOYSA-N -1 1 404.451 4.025 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC[C@H](C)C3)c2)cc1F ZINC000476827428 891809671 /nfs/dbraw/zinc/80/96/71/891809671.db2.gz LRXWXABDCYDKLE-HNNXBMFYSA-N -1 1 404.507 4.197 20 0 HIADMM O=C(NC1(c2nn[n-]n2)CC1)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC000477027175 891952476 /nfs/dbraw/zinc/95/24/76/891952476.db2.gz UJOCAULFENBYTM-UHFFFAOYSA-N -1 1 420.325 4.218 20 0 HIADMM O=C(Nc1scnc1C1CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000477059619 891990708 /nfs/dbraw/zinc/99/07/08/891990708.db2.gz SLVBCLSAXANRKD-UHFFFAOYSA-N -1 1 417.487 4.213 20 0 HIADMM C[C@H](C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000477355398 892320148 /nfs/dbraw/zinc/32/01/48/892320148.db2.gz QCZLYBNYKDLZJB-INIZCTEOSA-N -1 1 412.486 4.046 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2CC)cc1 ZINC000477422873 892376452 /nfs/dbraw/zinc/37/64/52/892376452.db2.gz FRLVYGWKXFVWGJ-UHFFFAOYSA-N -1 1 411.321 4.161 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000504942588 913684101 /nfs/dbraw/zinc/68/41/01/913684101.db2.gz MCVLMEVXMNJDGK-KGLIPLIRSA-N -1 1 412.433 4.405 20 0 HIADMM COc1cc(NC(=O)N[C@@H](CC2CCC2)c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000477584353 892650697 /nfs/dbraw/zinc/65/06/97/892650697.db2.gz CFQYDQXLARRBRO-IBGZPJMESA-N -1 1 417.531 4.120 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000477624615 892738128 /nfs/dbraw/zinc/73/81/28/892738128.db2.gz HCGKBPIYMJJMAX-UHFFFAOYSA-N -1 1 422.488 4.324 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C4CCCC4)C3)cc2)c1 ZINC000477906895 892979328 /nfs/dbraw/zinc/97/93/28/892979328.db2.gz MVJFNSXSTIOSQG-UHFFFAOYSA-N -1 1 412.555 4.366 20 0 HIADMM CC[C@H]1CCc2c(sc3nc(-c4ccc(S(=O)(=O)CC)cc4)[n-]c(=O)c32)C1 ZINC000478221479 893382436 /nfs/dbraw/zinc/38/24/36/893382436.db2.gz BZXGDNAKERFDAY-LBPRGKRZSA-N -1 1 402.541 4.372 20 0 HIADMM COC1(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCC1 ZINC000478225643 893386320 /nfs/dbraw/zinc/38/63/20/893386320.db2.gz AOMVCESOPHWUSO-UHFFFAOYSA-N -1 1 422.934 4.347 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478228456 893390157 /nfs/dbraw/zinc/39/01/57/893390157.db2.gz NEOXCKFBGHMTTL-XLIONFOSSA-N -1 1 420.488 4.077 20 0 HIADMM CC(C)(C)[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000478455260 893774884 /nfs/dbraw/zinc/77/48/84/893774884.db2.gz AKZHDJXPPSTPGN-SFHVURJKSA-N -1 1 400.544 4.386 20 0 HIADMM COc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)cc1C ZINC000478557604 893848733 /nfs/dbraw/zinc/84/87/33/893848733.db2.gz ZRYBFRLCUQEZHE-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C)cc1C ZINC000478574244 893855227 /nfs/dbraw/zinc/85/52/27/893855227.db2.gz FRWDZPHPPQKXGY-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM C[C@H](CN(C)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nn[n-]n1 ZINC000478575932 893856177 /nfs/dbraw/zinc/85/61/77/893856177.db2.gz MQJHSLWDWWWDBN-CYBMUJFWSA-N -1 1 401.923 4.021 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N(CC1CC1)C1CCC1 ZINC000478592044 893864305 /nfs/dbraw/zinc/86/43/05/893864305.db2.gz JHJUGYJUNIENGC-UHFFFAOYSA-N -1 1 402.491 4.031 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nc(C2CCCCC2)no1 ZINC000505095786 913814505 /nfs/dbraw/zinc/81/45/05/913814505.db2.gz ZGSCYBBMRWZOKY-JTQLQIEISA-N -1 1 404.319 4.464 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000478704658 893967137 /nfs/dbraw/zinc/96/71/37/893967137.db2.gz UXOOMYMQOYLPQD-UHFFFAOYSA-N -1 1 422.794 4.406 20 0 HIADMM Cc1ccccc1C1(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CCCCC1 ZINC000505104858 913819853 /nfs/dbraw/zinc/81/98/53/913819853.db2.gz OZWHAVJFODPHIX-UHFFFAOYSA-N -1 1 420.557 4.311 20 0 HIADMM Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000505104968 913820006 /nfs/dbraw/zinc/82/00/06/913820006.db2.gz QDMVXGBUNWBEET-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cn1cc(-c2ncc(C(=O)[N-]c3nnc(-c4c(F)cccc4Cl)s3)s2)cn1 ZINC000478778635 894054640 /nfs/dbraw/zinc/05/46/40/894054640.db2.gz FQPWNKXZIYWMQA-UHFFFAOYSA-N -1 1 420.882 4.107 20 0 HIADMM CSCCCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000478880762 894159424 /nfs/dbraw/zinc/15/94/24/894159424.db2.gz GLYJRQHBFCPSLM-UHFFFAOYSA-N -1 1 404.754 4.053 20 0 HIADMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cnccc3C(F)(F)F)cc2s1 ZINC000479268664 894540595 /nfs/dbraw/zinc/54/05/95/894540595.db2.gz HFNUFGFHXZOCSY-UHFFFAOYSA-N -1 1 407.826 4.473 20 0 HIADMM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCO1 ZINC000479376762 894679313 /nfs/dbraw/zinc/67/93/13/894679313.db2.gz NCLNATIAWGEEOB-WCBMZHEXSA-N -1 1 416.790 4.036 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cc(Cl)c1[O-] ZINC000479381943 894682402 /nfs/dbraw/zinc/68/24/02/894682402.db2.gz TUFKLXTYYJSHAY-UHFFFAOYSA-N -1 1 414.889 4.386 20 0 HIADMM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000479396725 894699413 /nfs/dbraw/zinc/69/94/13/894699413.db2.gz QLVWKSWCNJALML-NSHDSACASA-N -1 1 420.840 4.069 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)c(=O)[n-]1 ZINC000479400412 894705091 /nfs/dbraw/zinc/70/50/91/894705091.db2.gz QZDSUDBCKDFSNT-SFHVURJKSA-N -1 1 414.575 4.102 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](C)[C@H]3CC)c2)cc1 ZINC000479401887 894706587 /nfs/dbraw/zinc/70/65/87/894706587.db2.gz IYOWKNUZYAZCMT-IIBYNOLFSA-N -1 1 416.543 4.147 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)cc1OC ZINC000479508398 894823028 /nfs/dbraw/zinc/82/30/28/894823028.db2.gz ZIAJQRRNAUBPFX-UHFFFAOYSA-N -1 1 422.300 4.420 20 0 HIADMM CCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000479586310 894873203 /nfs/dbraw/zinc/87/32/03/894873203.db2.gz SIPONKXOMSIGSS-ZDUSSCGKSA-N -1 1 403.404 4.035 20 0 HIADMM CCc1cc(=O)[n-]c(SCc2ccc(I)cc2Cl)n1 ZINC000479720143 895016977 /nfs/dbraw/zinc/01/69/77/895016977.db2.gz WCITUAJQWOVCCX-UHFFFAOYSA-N -1 1 406.676 4.295 20 0 HIADMM CC(C)(CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(F)(F)F ZINC000479729537 895028307 /nfs/dbraw/zinc/02/83/07/895028307.db2.gz LLSJVMNBUASHHW-UHFFFAOYSA-N -1 1 400.422 4.405 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000479784956 895087553 /nfs/dbraw/zinc/08/75/53/895087553.db2.gz YCMDKVHZKXDSRK-SFHVURJKSA-N -1 1 406.530 4.001 20 0 HIADMM CC(C)OC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000480078520 895432459 /nfs/dbraw/zinc/43/24/59/895432459.db2.gz XATOOOZLSZPFTE-UHFFFAOYSA-N -1 1 402.299 4.288 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1OC(C)C ZINC000480197416 895595287 /nfs/dbraw/zinc/59/52/87/895595287.db2.gz RNBDOZWBJFYXQQ-UHFFFAOYSA-N -1 1 403.422 4.388 20 0 HIADMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000480196848 895596083 /nfs/dbraw/zinc/59/60/83/895596083.db2.gz MOGUIEYVAPJDFI-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480214238 895617907 /nfs/dbraw/zinc/61/79/07/895617907.db2.gz NJSSZNZLQCHVSZ-UHFFFAOYSA-N -1 1 414.449 4.074 20 0 HIADMM Cc1ccc(NC(=O)COC(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000480230156 895634391 /nfs/dbraw/zinc/63/43/91/895634391.db2.gz KZGIGINDTUEFTM-UHFFFAOYSA-N -1 1 410.923 4.203 20 0 HIADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480245364 895656971 /nfs/dbraw/zinc/65/69/71/895656971.db2.gz IKJLAAQCYAHHLM-UHFFFAOYSA-N -1 1 403.422 4.008 20 0 HIADMM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000480594761 895957506 /nfs/dbraw/zinc/95/75/06/895957506.db2.gz WZIAAMQKXNTSCN-ZDUSSCGKSA-N -1 1 408.372 4.371 20 0 HIADMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000480780395 896146073 /nfs/dbraw/zinc/14/60/73/896146073.db2.gz RTGHZGSKXGCELK-UHFFFAOYSA-N -1 1 415.497 4.027 20 0 HIADMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000480780395 896146086 /nfs/dbraw/zinc/14/60/86/896146086.db2.gz RTGHZGSKXGCELK-UHFFFAOYSA-N -1 1 415.497 4.027 20 0 HIADMM Cc1nc(-c2ccc(N[C@H](C)c3ccc(Br)cn3)nc2)[n-]c(=O)c1C ZINC000480822712 896195475 /nfs/dbraw/zinc/19/54/75/896195475.db2.gz CYCURTSVYOHWGH-GFCCVEGCSA-N -1 1 400.280 4.192 20 0 HIADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000480992462 896324678 /nfs/dbraw/zinc/32/46/78/896324678.db2.gz OZFJVQBYNCRIEV-WOJBJXKFSA-N -1 1 418.584 4.200 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)cc1Cl ZINC000481084288 896404708 /nfs/dbraw/zinc/40/47/08/896404708.db2.gz BPCRGQBRLKQWGB-UHFFFAOYSA-N -1 1 410.923 4.442 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc4c[nH]nc4cc3C)c2)c1 ZINC000481294633 896639972 /nfs/dbraw/zinc/63/99/72/896639972.db2.gz LNPDOQVRPXDPFY-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc4c[nH]nc4cc3C)c2)cc1 ZINC000481318194 896669639 /nfs/dbraw/zinc/66/96/39/896669639.db2.gz GBLRDPGVOJHZRL-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3C(F)F)cc2)cc1C ZINC000505436999 914101964 /nfs/dbraw/zinc/10/19/64/914101964.db2.gz UCOAOCRDOFHCNT-LJQANCHMSA-N -1 1 422.497 4.364 20 0 HIADMM O=C(NCc1ccc(C2CC2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000481625727 897009304 /nfs/dbraw/zinc/00/93/04/897009304.db2.gz PSTFUEHWBYVNFQ-UHFFFAOYSA-N -1 1 406.507 4.295 20 0 HIADMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cc4c[nH]nc4cc3C)ccc2s1 ZINC000481845821 897213037 /nfs/dbraw/zinc/21/30/37/897213037.db2.gz IGNQZEGTYWFSGH-UHFFFAOYSA-N -1 1 415.496 4.064 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1Cl ZINC000481971559 897362967 /nfs/dbraw/zinc/36/29/67/897362967.db2.gz GWGMPHAKVGZZAZ-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CC(C3CCCC3)C2)c1 ZINC000481971428 897363391 /nfs/dbraw/zinc/36/33/91/897363391.db2.gz SMMYIFFCELKEJS-UHFFFAOYSA-N -1 1 416.518 4.197 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1 ZINC000481975239 897367455 /nfs/dbraw/zinc/36/74/55/897367455.db2.gz UUPJEWNBSFBBCV-UHFFFAOYSA-N -1 1 420.506 4.040 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)c(Cl)c1 ZINC000481975771 897368700 /nfs/dbraw/zinc/36/87/00/897368700.db2.gz SWVLCCYJSSBXFS-UHFFFAOYSA-N -1 1 416.886 4.340 20 0 HIADMM O=C(N[C@H](c1ccccc1)C(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000482018275 897422614 /nfs/dbraw/zinc/42/26/14/897422614.db2.gz KYVOUSMNTSBLBB-LJQANCHMSA-N -1 1 416.449 4.224 20 0 HIADMM O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000482108898 897558978 /nfs/dbraw/zinc/55/89/78/897558978.db2.gz ZUWCDHDYZSRXJJ-IBGZPJMESA-N -1 1 416.449 4.224 20 0 HIADMM CC[C@@H](CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000482273576 897761486 /nfs/dbraw/zinc/76/14/86/897761486.db2.gz YPBFMXXPGVIEAA-INIZCTEOSA-N -1 1 406.548 4.012 20 0 HIADMM COC(C)(C)c1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000482552209 898143912 /nfs/dbraw/zinc/14/39/12/898143912.db2.gz CLPRMBTVVXFCRG-UHFFFAOYSA-N -1 1 401.488 4.036 20 0 HIADMM COCCn1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])c2ccccc21 ZINC000482691439 898290608 /nfs/dbraw/zinc/29/06/08/898290608.db2.gz IZWOCJLSUWKPFA-UHFFFAOYSA-N -1 1 403.276 4.317 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000482696103 898294788 /nfs/dbraw/zinc/29/47/88/898294788.db2.gz RBEOPMVMEMBMEJ-MRXNPFEDSA-N -1 1 417.225 4.295 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(C)=C(C)C3)c2)cc1 ZINC000482896789 898514975 /nfs/dbraw/zinc/51/49/75/898514975.db2.gz UXOSKVRTHUCELU-UHFFFAOYSA-N -1 1 414.527 4.068 20 0 HIADMM CCOc1cc(CNC(=O)c2ccc(Br)c([O-])c2)ccc1OC(F)F ZINC000483130570 898813165 /nfs/dbraw/zinc/81/31/65/898813165.db2.gz OZBKYRFXLYRFGI-UHFFFAOYSA-N -1 1 416.218 4.085 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccc3C)c2)cc1 ZINC000483135433 898816180 /nfs/dbraw/zinc/81/61/80/898816180.db2.gz ADQYRJLHMMZITB-UHFFFAOYSA-N -1 1 410.495 4.333 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000483719785 899378420 /nfs/dbraw/zinc/37/84/20/899378420.db2.gz AMVVVZALYJUQRV-FQEVSTJZSA-N -1 1 408.477 4.138 20 0 HIADMM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2csc3ccccc23)cc1 ZINC000484089385 899720685 /nfs/dbraw/zinc/72/06/85/899720685.db2.gz PYALPMOCFQAAPO-UHFFFAOYSA-N -1 1 424.569 4.244 20 0 HIADMM COc1cc(NC(=O)N[C@H](C)c2oc3ccccc3c2C)ccc1[N-]S(C)(=O)=O ZINC000484135895 899756980 /nfs/dbraw/zinc/75/69/80/899756980.db2.gz DJBVWXDHWYUAIR-CYBMUJFWSA-N -1 1 417.487 4.004 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3Nc3ccc(F)cc3F)cc2[nH]1 ZINC000484139249 899759715 /nfs/dbraw/zinc/75/97/15/899759715.db2.gz JNBXVLRCKNPHBG-UHFFFAOYSA-N -1 1 416.409 4.091 20 0 HIADMM Cn1c2ccc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)cc2nc1C(C)(C)C ZINC000484184151 899800204 /nfs/dbraw/zinc/80/02/04/899800204.db2.gz CBVVUUJUZREHBQ-UHFFFAOYSA-N -1 1 401.470 4.077 20 0 HIADMM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000484244510 899831266 /nfs/dbraw/zinc/83/12/66/899831266.db2.gz MLWMZQJKDPTTJU-UHFFFAOYSA-N -1 1 410.405 4.295 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c(=O)[n-]1 ZINC000484472259 899965107 /nfs/dbraw/zinc/96/51/07/899965107.db2.gz YAAIPTWJBOGOBU-OAHLLOKOSA-N -1 1 403.523 4.081 20 0 HIADMM Cc1ccc(C(=O)N2CCS[C@H](C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000505740128 914418719 /nfs/dbraw/zinc/41/87/19/914418719.db2.gz ORFIPXXREDCBHQ-CQSZACIVSA-N -1 1 424.975 4.027 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Br)s1 ZINC000484788680 900196254 /nfs/dbraw/zinc/19/62/54/900196254.db2.gz RSJIHCPRSUDCCN-BDAKNGLRSA-N -1 1 406.289 4.158 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000484794913 900200141 /nfs/dbraw/zinc/20/01/41/900200141.db2.gz JNFAMDRSESPMJO-ZJUUUORDSA-N -1 1 420.316 4.466 20 0 HIADMM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3c(Cl)ccc4ccccc43)ccc12 ZINC000484803988 900208669 /nfs/dbraw/zinc/20/86/69/900208669.db2.gz CAJBQSBKKNIMLQ-UHFFFAOYSA-N -1 1 400.843 4.474 20 0 HIADMM CCSc1cccc(Br)c1[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000484873419 900261005 /nfs/dbraw/zinc/26/10/05/900261005.db2.gz UKFGCDLFCAUBPZ-UHFFFAOYSA-N -1 1 420.375 4.278 20 0 HIADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1C(F)(F)F ZINC000484945859 900314634 /nfs/dbraw/zinc/31/46/34/900314634.db2.gz DFSMWJFDDHTXLW-UHFFFAOYSA-N -1 1 413.295 4.223 20 0 HIADMM Cc1cccc(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])c1Cl ZINC000484954012 900320862 /nfs/dbraw/zinc/32/08/62/900320862.db2.gz ZMFYPVZIWWUEBR-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM COc1c(Br)c(C)sc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000484957917 900322407 /nfs/dbraw/zinc/32/24/07/900322407.db2.gz ASSCHRJWFGBUJG-UHFFFAOYSA-N -1 1 416.244 4.036 20 0 HIADMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000484990861 900345578 /nfs/dbraw/zinc/34/55/78/900345578.db2.gz ZTMZLZMWKAYOJP-UHFFFAOYSA-N -1 1 411.479 4.180 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc(-c2nc3sc(C(C)(C)C)cc3c(=O)[n-]2)cc1 ZINC000485164999 900464376 /nfs/dbraw/zinc/46/43/76/900464376.db2.gz DPFYKEPLLCSWOY-UHFFFAOYSA-N -1 1 419.572 4.392 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c(F)c1 ZINC000485166295 900464661 /nfs/dbraw/zinc/46/46/61/900464661.db2.gz RPKGZGHMWXDNOS-UHFFFAOYSA-N -1 1 424.238 4.454 20 0 HIADMM COc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(C)c2)c(Cl)cc1C(=O)[O-] ZINC000485273678 900553711 /nfs/dbraw/zinc/55/37/11/900553711.db2.gz PUOSSTZUOJUZKB-UHFFFAOYSA-N -1 1 423.796 4.175 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1OCC ZINC000486107259 901293151 /nfs/dbraw/zinc/29/31/51/901293151.db2.gz FKDBYGYYHOSUAO-UHFFFAOYSA-N -1 1 403.500 4.268 20 0 HIADMM O=c1cc(/C=C/c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)nc2nc[n-]n21 ZINC000486128178 901315093 /nfs/dbraw/zinc/31/50/93/901315093.db2.gz SRJQIJQMHWAJAD-MDZDMXLPSA-N -1 1 414.856 4.094 20 0 HIADMM O=C(Nc1ccc2scnc2c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000505887814 914530373 /nfs/dbraw/zinc/53/03/73/914530373.db2.gz GZHCLYYZJAYLFC-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM Cc1ccsc1S(=O)(=O)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000486664134 901783294 /nfs/dbraw/zinc/78/32/94/901783294.db2.gz ZJGUQWAEEDKJBY-NSHDSACASA-N -1 1 401.378 4.240 20 0 HIADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000487008787 902013085 /nfs/dbraw/zinc/01/30/85/902013085.db2.gz ULBSJRYKMMNHPY-UHFFFAOYSA-N -1 1 417.874 4.298 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000487149733 902077314 /nfs/dbraw/zinc/07/73/14/902077314.db2.gz BPCKTXYUKHKOJX-LLVKDONJSA-N -1 1 423.266 4.423 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc(Br)cnc1-n1cccn1 ZINC000487222178 902106387 /nfs/dbraw/zinc/10/63/87/902106387.db2.gz QZPJVMWIXZNJJA-UHFFFAOYSA-N -1 1 408.643 4.033 20 0 HIADMM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000487284878 902137296 /nfs/dbraw/zinc/13/72/96/902137296.db2.gz GCGFHZUWZATRFE-UHFFFAOYSA-N -1 1 418.298 4.126 20 0 HIADMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1F ZINC000487918391 902451424 /nfs/dbraw/zinc/45/14/24/902451424.db2.gz RSMKBDIYUPZVAA-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)ccc21 ZINC000488263111 902734184 /nfs/dbraw/zinc/73/41/84/902734184.db2.gz MNWJYCOGPYIVKF-UHFFFAOYSA-N -1 1 418.824 4.069 20 0 HIADMM CCc1cccnc1NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000505991418 914660357 /nfs/dbraw/zinc/66/03/57/914660357.db2.gz SHUPWKQWTCLFIB-UHFFFAOYSA-N -1 1 413.474 4.145 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c(Cl)c1 ZINC000489753350 903579531 /nfs/dbraw/zinc/57/95/31/903579531.db2.gz MQKHGLCTRQFOMC-UHFFFAOYSA-N -1 1 418.858 4.371 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc([C@H]4C[C@H]4C)[nH]n3)cc2)cc1C ZINC000490258332 903857807 /nfs/dbraw/zinc/85/78/07/903857807.db2.gz LUMYOQWVOACLQT-BEFAXECRSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc([C@@H]4C[C@@H]4C)[nH]n3)cc2)c1C ZINC000490258347 903857834 /nfs/dbraw/zinc/85/78/34/903857834.db2.gz LXKUTLPQVYKYQR-KBXCAEBGSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([C@H]4C[C@@H]4C)[nH]n3)ccc2C)cc1 ZINC000490262104 903860607 /nfs/dbraw/zinc/86/06/07/903860607.db2.gz SSSROVYARDLUOV-YJBOKZPZSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([C@@H]4C[C@@H]4C)[nH]n3)cc2)cc1C ZINC000490277735 903871682 /nfs/dbraw/zinc/87/16/82/903871682.db2.gz VKWIPLSJIKCRCO-HNAYVOBHSA-N -1 1 424.526 4.203 20 0 HIADMM O=C(Nc1ccc(C(=O)C2CCC2)cc1)c1ccc(I)c([O-])c1 ZINC000490294503 903882921 /nfs/dbraw/zinc/88/29/21/903882921.db2.gz SNLXDLYNAHXWCF-UHFFFAOYSA-N -1 1 421.234 4.232 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000490296854 903884218 /nfs/dbraw/zinc/88/42/18/903884218.db2.gz GUQCWLDWVJCWGF-UHFFFAOYSA-N -1 1 416.481 4.107 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(-c3nc(C)cs3)cc2)c(=O)[n-]1 ZINC000506082929 914787455 /nfs/dbraw/zinc/78/74/55/914787455.db2.gz HWOGXMQPHRPDDT-UHFFFAOYSA-N -1 1 400.529 4.216 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 ZINC000493148556 905034467 /nfs/dbraw/zinc/03/44/67/905034467.db2.gz DXLLFYXUPZGKFT-UHFFFAOYSA-N -1 1 420.494 4.379 20 0 HIADMM Cc1nc(-c2ccc(N3CCn4c(cc5cc(Cl)ccc54)C3)nc2)[n-]c(=O)c1C ZINC000493602616 905170689 /nfs/dbraw/zinc/17/06/89/905170689.db2.gz HIFDCXHDXFDZSF-UHFFFAOYSA-N -1 1 405.889 4.489 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000494597830 905856271 /nfs/dbraw/zinc/85/62/71/905856271.db2.gz CNESGCPPZVMALC-HNNXBMFYSA-N -1 1 404.557 4.224 20 0 HIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)cc2)o1 ZINC000494647849 905881065 /nfs/dbraw/zinc/88/10/65/905881065.db2.gz LJQBFPAGENRFAA-UHFFFAOYSA-N -1 1 412.389 4.392 20 0 HIADMM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cc(N2CC[NH+]=C2[O-])ccc1F ZINC000496916084 906781122 /nfs/dbraw/zinc/78/11/22/906781122.db2.gz XDIFGEQOVLNMGG-UHFFFAOYSA-N -1 1 418.639 4.273 20 0 HIADMM C[C@@H](C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])C(C)(F)F ZINC000497091893 906803290 /nfs/dbraw/zinc/80/32/90/906803290.db2.gz DWMJVSVJJMFYPZ-JTQLQIEISA-N -1 1 418.849 4.076 20 0 HIADMM Clc1ccc(-c2cc(-c3nnc(SCc4nn[n-]n4)o3)c3ccccc3n2)cc1 ZINC000497168059 906815530 /nfs/dbraw/zinc/81/55/30/906815530.db2.gz ZZVBHBCRHSECTM-UHFFFAOYSA-N -1 1 421.873 4.411 20 0 HIADMM COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2n[nH]c3cc(C(=O)[O-])ccc32)c1 ZINC000497839342 907320441 /nfs/dbraw/zinc/32/04/41/907320441.db2.gz KDXNISAROIJNMH-NRFANRHFSA-N -1 1 414.421 4.041 20 0 HIADMM O=C(Nc1ccc2[nH]ccc2c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000497865990 907344144 /nfs/dbraw/zinc/34/41/44/907344144.db2.gz CDSFVKRTHSVDAD-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM CC(C)n1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1 ZINC000498034268 907538958 /nfs/dbraw/zinc/53/89/58/907538958.db2.gz XPWRNESHWSQNEL-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000498321102 907838525 /nfs/dbraw/zinc/83/85/25/907838525.db2.gz YNTCAKWFISUYLB-MRXNPFEDSA-N -1 1 412.486 4.460 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N(Cc1cccc(F)c1)C1CC1 ZINC000498355429 907854749 /nfs/dbraw/zinc/85/47/49/907854749.db2.gz PYXXICUHUPVHOO-UHFFFAOYSA-N -1 1 424.497 4.431 20 0 HIADMM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000498395971 907878623 /nfs/dbraw/zinc/87/86/23/907878623.db2.gz JLTQJJGKJXKSMX-CQSZACIVSA-N -1 1 413.586 4.090 20 0 HIADMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000498397142 907879583 /nfs/dbraw/zinc/87/95/83/907879583.db2.gz PJOXEAPCZALGNV-UHFFFAOYSA-N -1 1 412.433 4.051 20 0 HIADMM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000498877734 908275428 /nfs/dbraw/zinc/27/54/28/908275428.db2.gz LOXYWGXXCAKMRS-GFCCVEGCSA-N -1 1 400.276 4.362 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1 ZINC000499138912 908494621 /nfs/dbraw/zinc/49/46/21/908494621.db2.gz KKIZVEVTGMZSIF-WRWLIDTKSA-N -1 1 400.544 4.350 20 0 HIADMM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000499327417 908700921 /nfs/dbraw/zinc/70/09/21/908700921.db2.gz IKGCVYWUNGAMBP-UHFFFAOYSA-N -1 1 411.266 4.304 20 0 HIADMM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1O ZINC000499616217 908856496 /nfs/dbraw/zinc/85/64/96/908856496.db2.gz ZALGZBUFAYUFRB-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM O=C(COc1ccsc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000499941310 909048331 /nfs/dbraw/zinc/04/83/31/909048331.db2.gz VAIHWYXSRQYHRI-UHFFFAOYSA-N -1 1 422.915 4.220 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)ccc1Cl ZINC000500295148 909763759 /nfs/dbraw/zinc/76/37/59/909763759.db2.gz HBVACHGJRDCDFE-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cccc1C(=O)N1CCCC1 ZINC000500321717 909782570 /nfs/dbraw/zinc/78/25/70/909782570.db2.gz GXNWYMDCBZJISK-UHFFFAOYSA-N -1 1 400.544 4.329 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cccc1C(=O)N1CCCC1 ZINC000500331377 909791775 /nfs/dbraw/zinc/79/17/75/909791775.db2.gz OYWAQTAKQGYAON-UHFFFAOYSA-N -1 1 412.433 4.051 20 0 HIADMM Cc1ccc(F)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1F ZINC000500721088 910039755 /nfs/dbraw/zinc/03/97/55/910039755.db2.gz PBYRHYPCBDUFRO-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000500825276 910105434 /nfs/dbraw/zinc/10/54/34/910105434.db2.gz WQSWKYXTIVSAOS-QGZVFWFLSA-N -1 1 422.497 4.271 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000501126064 910308698 /nfs/dbraw/zinc/30/86/98/910308698.db2.gz UOPYUCMQUXNYHU-UHFFFAOYSA-N -1 1 423.519 4.027 20 0 HIADMM Cc1ccccc1C1=CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000501586485 910694628 /nfs/dbraw/zinc/69/46/28/910694628.db2.gz UHOCNURYNKVIRB-UHFFFAOYSA-N -1 1 418.518 4.335 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1C ZINC000501733354 910795933 /nfs/dbraw/zinc/79/59/33/910795933.db2.gz FVALDIKGJMLLFZ-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)ccc21 ZINC000501798708 910850751 /nfs/dbraw/zinc/85/07/51/910850751.db2.gz QFEUTMDLIJBHIA-UHFFFAOYSA-N -1 1 406.507 4.454 20 0 HIADMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1Cl ZINC000501858784 910889053 /nfs/dbraw/zinc/88/90/53/910889053.db2.gz JKJYMANZKVFNGZ-UHFFFAOYSA-N -1 1 415.327 4.074 20 0 HIADMM COc1ccc(NC(=O)Cc2csc3ccc(Cl)cc23)cc1[N-]S(C)(=O)=O ZINC000502314853 911285883 /nfs/dbraw/zinc/28/58/83/911285883.db2.gz GYFWNIVZRDBYOU-UHFFFAOYSA-N -1 1 424.931 4.116 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)c1ccncc1 ZINC000502394813 911378439 /nfs/dbraw/zinc/37/84/39/911378439.db2.gz ULCGZLRBRLDBFD-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](COc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000502407046 911389648 /nfs/dbraw/zinc/38/96/48/911389648.db2.gz QKFHKCOBOYHORD-FQEVSTJZSA-N -1 1 423.538 4.082 20 0 HIADMM O=S(=O)([N-][C@@H]1CCc2ccccc21)c1c(Cl)cc(F)cc1Br ZINC000502441896 911425002 /nfs/dbraw/zinc/42/50/02/911425002.db2.gz GGNBUHUNDZOQFA-CQSZACIVSA-N -1 1 404.688 4.207 20 0 HIADMM CC[C@H]1C[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCO1 ZINC000502957072 911938938 /nfs/dbraw/zinc/93/89/38/911938938.db2.gz FAARLFHMAMTGNW-KDOFPFPSSA-N -1 1 422.934 4.285 20 0 HIADMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)cc2N1 ZINC000506687513 915364849 /nfs/dbraw/zinc/36/48/49/915364849.db2.gz BNDQZRYHXRZCCA-UHFFFAOYSA-N -1 1 422.787 4.183 20 0 HIADMM O=C(NCc1ccc(F)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000506996244 915808835 /nfs/dbraw/zinc/80/88/35/915808835.db2.gz BKFWNXNNJWCRPX-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM CSc1cc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)ccn1 ZINC000507070037 915851850 /nfs/dbraw/zinc/85/18/50/915851850.db2.gz HRVCFXMGEGBGBA-UHFFFAOYSA-N -1 1 413.524 4.165 20 0 HIADMM COc1ccc(NC(=O)NC2(c3ccccc3)CCCCC2)cc1[N-]S(C)(=O)=O ZINC000507321363 916083488 /nfs/dbraw/zinc/08/34/88/916083488.db2.gz CWXSSAOSBVUARN-UHFFFAOYSA-N -1 1 417.531 4.048 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccc(F)cc3)c2)cc1 ZINC000507552703 916309617 /nfs/dbraw/zinc/30/96/17/916309617.db2.gz QETZUFRERBBBJY-UHFFFAOYSA-N -1 1 415.486 4.394 20 0 HIADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000507602870 916357955 /nfs/dbraw/zinc/35/79/55/916357955.db2.gz HXTAEJUJRMSWIH-UHFFFAOYSA-N -1 1 402.419 4.194 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1OC ZINC000507621876 916381018 /nfs/dbraw/zinc/38/10/18/916381018.db2.gz POAQNPDZWIRZFO-UHFFFAOYSA-N -1 1 414.455 4.360 20 0 HIADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)ccc1C ZINC000507950337 916812404 /nfs/dbraw/zinc/81/24/04/916812404.db2.gz QRTIVIVJVVYGRJ-UHFFFAOYSA-N -1 1 414.483 4.244 20 0 HIADMM CCCc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnn1-c1ccc(C)cc1 ZINC000507977339 916826132 /nfs/dbraw/zinc/82/61/32/916826132.db2.gz ADHANKNGQCIFPH-UHFFFAOYSA-N -1 1 416.547 4.361 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccn2)c1 ZINC000508035140 916866609 /nfs/dbraw/zinc/86/66/09/916866609.db2.gz MSGAXDGANVDRBS-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c(F)c1 ZINC000508096477 916913155 /nfs/dbraw/zinc/91/31/55/916913155.db2.gz NMLGGFLFILSPCS-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C)c1 ZINC000508130014 916950885 /nfs/dbraw/zinc/95/08/85/916950885.db2.gz DPMNOOCHLMHAAN-UHFFFAOYSA-N -1 1 418.559 4.331 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)COC4)c2)cc1 ZINC000508388616 917184227 /nfs/dbraw/zinc/18/42/27/917184227.db2.gz UCVLFPBVCKIBOS-UHFFFAOYSA-N -1 1 408.479 4.078 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)COC4)ccc2C)c1 ZINC000508390968 917186439 /nfs/dbraw/zinc/18/64/39/917186439.db2.gz IBSUYVJBFYKVPE-UHFFFAOYSA-N -1 1 422.506 4.387 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1 ZINC000509090180 917831933 /nfs/dbraw/zinc/83/19/33/917831933.db2.gz QXZPZDDNUJUOIX-UHFFFAOYSA-N -1 1 412.433 4.051 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1 ZINC000509091186 917833513 /nfs/dbraw/zinc/83/35/13/917833513.db2.gz ZDPGNAPAJOWZIQ-UHFFFAOYSA-N -1 1 412.433 4.051 20 0 HIADMM COc1ccc(F)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000509248392 917942520 /nfs/dbraw/zinc/94/25/20/917942520.db2.gz SQAVDUQOAUYGFC-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(-n4cccc4)c3)c3cccc(c23)C1=O ZINC000509392580 918057671 /nfs/dbraw/zinc/05/76/71/918057671.db2.gz RDGCWFVKLWGYHJ-UHFFFAOYSA-N -1 1 403.463 4.021 20 0 HIADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000509480963 918126499 /nfs/dbraw/zinc/12/64/99/918126499.db2.gz RTCFXOPPNPYGIR-UHFFFAOYSA-N -1 1 408.792 4.058 20 0 HIADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)c(Cl)c3)cc12 ZINC000509565628 918216089 /nfs/dbraw/zinc/21/60/89/918216089.db2.gz ASEBXFOJBKVNEP-UHFFFAOYSA-N -1 1 420.922 4.052 20 0 HIADMM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000509614908 918263442 /nfs/dbraw/zinc/26/34/42/918263442.db2.gz BQVXXHXCAWYPQO-UHFFFAOYSA-N -1 1 406.438 4.406 20 0 HIADMM CCN(Cc1ccc(Cl)cc1)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509675579 918306418 /nfs/dbraw/zinc/30/64/18/918306418.db2.gz NMHXGOFOHKDACR-UHFFFAOYSA-N -1 1 410.905 4.187 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ccc(Cl)cn1 ZINC000509743154 918362189 /nfs/dbraw/zinc/36/21/89/918362189.db2.gz CSXQCEURUIGNDE-ZCFIWIBFSA-N -1 1 416.149 4.252 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCc2sccc21 ZINC000509985174 918572159 /nfs/dbraw/zinc/57/21/59/918572159.db2.gz VDGLBASCODZYSU-CYBMUJFWSA-N -1 1 420.339 4.197 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)c1cccc(F)c1F ZINC000510051925 918623006 /nfs/dbraw/zinc/62/30/06/918623006.db2.gz YCWAVQUUQRUGBZ-MRVPVSSYSA-N -1 1 424.252 4.098 20 0 HIADMM Cc1cc2occ(CC(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)c2cc1C(C)C ZINC000510955689 919488683 /nfs/dbraw/zinc/48/86/83/919488683.db2.gz NRZIBNVSNQXLDP-UHFFFAOYSA-N -1 1 406.486 4.089 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000511206142 919818348 /nfs/dbraw/zinc/81/83/48/919818348.db2.gz ZJOAKZVKFJYMHR-MRXNPFEDSA-N -1 1 404.532 4.051 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1Cl ZINC000511278948 919874203 /nfs/dbraw/zinc/87/42/03/919874203.db2.gz GUEZMUXADXUJMJ-UHFFFAOYSA-N -1 1 408.951 4.479 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4[nH]cnc4c3)cc2)ccc1F ZINC000511321148 919912404 /nfs/dbraw/zinc/91/24/04/919912404.db2.gz KFJJLLWNTAZXOY-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(Cl)c2)cc1 ZINC000511694561 920359440 /nfs/dbraw/zinc/35/94/40/920359440.db2.gz CGYURVKZHCQRMK-UHFFFAOYSA-N -1 1 424.950 4.268 20 0 HIADMM CN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000512018982 920792121 /nfs/dbraw/zinc/79/21/21/920792121.db2.gz TZNRWJBGGLZZQF-RHSMWYFYSA-N -1 1 418.419 4.101 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)[C@@H](C)CC)c2)cc1 ZINC000512146305 920888231 /nfs/dbraw/zinc/88/82/31/920888231.db2.gz OWWDJOOCIUPPOS-JKSUJKDBSA-N -1 1 404.532 4.051 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000512319986 921069547 /nfs/dbraw/zinc/06/95/47/921069547.db2.gz OKBZPORRXGTSPP-JSGCOSHPSA-N -1 1 411.449 4.297 20 0 HIADMM CC(C)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000513679823 922000130 /nfs/dbraw/zinc/00/01/30/922000130.db2.gz HTLMIZUUEUNVBX-SFHVURJKSA-N -1 1 400.544 4.386 20 0 HIADMM Cc1cc(C)cc(OCc2noc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)n2)c1 ZINC000513815666 922139886 /nfs/dbraw/zinc/13/98/86/922139886.db2.gz YRZDTLZRIMYVQM-UHFFFAOYSA-N -1 1 412.393 4.072 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000514396116 922612262 /nfs/dbraw/zinc/61/22/62/922612262.db2.gz VYQPAIYMPCMWLS-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)C(C)=O ZINC000515062308 922892543 /nfs/dbraw/zinc/89/25/43/922892543.db2.gz ZCUKETORXWBLDF-UHFFFAOYSA-N -1 1 420.534 4.427 20 0 HIADMM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1 ZINC000515694609 923278270 /nfs/dbraw/zinc/27/82/70/923278270.db2.gz ZBKWLBUQOHJMOI-UHFFFAOYSA-N -1 1 417.508 4.158 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000515695763 923278834 /nfs/dbraw/zinc/27/88/34/923278834.db2.gz UVSSIDJPKJJSTB-HNNXBMFYSA-N -1 1 406.935 4.464 20 0 HIADMM Cc1ccc(NC(=O)c2cncs2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000515765340 923335875 /nfs/dbraw/zinc/33/58/75/923335875.db2.gz ITWKNSWEALEUQE-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CCOc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000515930532 923445449 /nfs/dbraw/zinc/44/54/49/923445449.db2.gz BPBMFYWPQDJHBA-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccsc2)cc1 ZINC000515981732 923476884 /nfs/dbraw/zinc/47/68/84/923476884.db2.gz NRKUAUAMMOTDBD-INIZCTEOSA-N -1 1 414.552 4.218 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)c(F)c1 ZINC000516210476 923602551 /nfs/dbraw/zinc/60/25/51/923602551.db2.gz XIVHFDXHQJHXHZ-UHFFFAOYSA-N -1 1 420.412 4.181 20 0 HIADMM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000516536837 923786143 /nfs/dbraw/zinc/78/61/43/923786143.db2.gz XBKUCVOPAPFEQH-GFCCVEGCSA-N -1 1 414.874 4.315 20 0 HIADMM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000516536837 923786160 /nfs/dbraw/zinc/78/61/60/923786160.db2.gz XBKUCVOPAPFEQH-GFCCVEGCSA-N -1 1 414.874 4.315 20 0 HIADMM CCO[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000516751906 923875781 /nfs/dbraw/zinc/87/57/81/923875781.db2.gz YKNZUAZFXIWNMI-OAQYLSRUSA-N -1 1 410.495 4.204 20 0 HIADMM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)OC)c2)c(C)c1 ZINC000517062261 923983509 /nfs/dbraw/zinc/98/35/09/923983509.db2.gz NHIAVYKEODFGEV-HNNXBMFYSA-N -1 1 407.557 4.402 20 0 HIADMM CC[C@@H](c1nnc([N-]C(=O)c2csc(-c3cnn(C)c3)n2)s1)c1ccccc1 ZINC000517361363 924133982 /nfs/dbraw/zinc/13/39/82/924133982.db2.gz OFABTPBNJPYTDO-CQSZACIVSA-N -1 1 410.528 4.189 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000517524773 924245955 /nfs/dbraw/zinc/24/59/55/924245955.db2.gz KAACSWIJWLMZIF-UHFFFAOYSA-N -1 1 420.435 4.050 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000517912540 926888194 /nfs/dbraw/zinc/88/81/94/926888194.db2.gz SJZYBUISPNCPJC-UHFFFAOYSA-N -1 1 414.531 4.254 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H]3C(C)C)c2)cc1 ZINC000518044364 926982193 /nfs/dbraw/zinc/98/21/93/926982193.db2.gz CRMOQWSWRUDFLP-NRFANRHFSA-N -1 1 416.543 4.147 20 0 HIADMM COc1cc(NC(=O)N[C@@H](C)c2cc3ccccc3s2)ccc1[N-]S(C)(=O)=O ZINC000518265223 927123212 /nfs/dbraw/zinc/12/32/12/927123212.db2.gz MUUIISFPWRYQES-LBPRGKRZSA-N -1 1 419.528 4.164 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000518332133 927197723 /nfs/dbraw/zinc/19/77/23/927197723.db2.gz FRGPKHNSSDYYDR-CALCHBBNSA-N -1 1 402.560 4.335 20 0 HIADMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccccc2CCC(C)C)c1 ZINC000518562648 927348001 /nfs/dbraw/zinc/34/80/01/927348001.db2.gz HLUSUCXTVUBBBP-UHFFFAOYSA-N -1 1 409.573 4.096 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CS(=O)(=O)c2ccccc2)cc1C ZINC000518649574 927403284 /nfs/dbraw/zinc/40/32/84/927403284.db2.gz BENMNJHSRSZXAW-UHFFFAOYSA-N -1 1 415.536 4.078 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)c1C ZINC000518699193 927441314 /nfs/dbraw/zinc/44/13/14/927441314.db2.gz UDAGUIDNQYRFDT-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000519061063 927738360 /nfs/dbraw/zinc/73/83/60/927738360.db2.gz BRXMDNZQIPZANK-UHFFFAOYSA-N -1 1 405.479 4.457 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000519217412 927832090 /nfs/dbraw/zinc/83/20/90/927832090.db2.gz GKWODEWGDXOULU-UHFFFAOYSA-N -1 1 421.471 4.274 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2c3ccccc3O[C@H]2C)cc1 ZINC000519220288 927833345 /nfs/dbraw/zinc/83/33/45/927833345.db2.gz BEGSSIGVRVWULW-KSFYIVLOSA-N -1 1 422.506 4.048 20 0 HIADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1 ZINC000520018038 928242064 /nfs/dbraw/zinc/24/20/64/928242064.db2.gz YAAOQMGGXHANFA-UHFFFAOYSA-N -1 1 415.311 4.327 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000520273201 928437572 /nfs/dbraw/zinc/43/75/72/928437572.db2.gz BRJDNGIWAUMPKO-QMMMGPOBSA-N -1 1 404.300 4.144 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)cc1F ZINC000520274110 928439237 /nfs/dbraw/zinc/43/92/37/928439237.db2.gz WLYJIEGSSUQYLS-UHFFFAOYSA-N -1 1 411.458 4.033 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccc2c(c1)CCO2 ZINC000520333190 928498670 /nfs/dbraw/zinc/49/86/70/928498670.db2.gz KGPJPQGXRIAADN-UHFFFAOYSA-N -1 1 410.426 4.370 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000520373247 928527788 /nfs/dbraw/zinc/52/77/88/928527788.db2.gz KCSPILTVCMMEHC-SFHVURJKSA-N -1 1 422.916 4.155 20 0 HIADMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000520739495 928789726 /nfs/dbraw/zinc/78/97/26/928789726.db2.gz RWVPSHYEDFZEOR-SNVBAGLBSA-N -1 1 411.936 4.416 20 0 HIADMM Cc1cccc(N(Cc2ccccc2)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000520933342 928880556 /nfs/dbraw/zinc/88/05/56/928880556.db2.gz YNPGSKNBAJIUDI-UHFFFAOYSA-N -1 1 400.482 4.136 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1 ZINC000521028781 928946184 /nfs/dbraw/zinc/94/61/84/928946184.db2.gz CJPRSKIIBBSRKN-UHFFFAOYSA-N -1 1 418.559 4.283 20 0 HIADMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000521143382 929022602 /nfs/dbraw/zinc/02/26/02/929022602.db2.gz BMMNYPROUBYFKY-UHFFFAOYSA-N -1 1 411.479 4.324 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)c1C ZINC000521279356 929096864 /nfs/dbraw/zinc/09/68/64/929096864.db2.gz BHOBJSQVSGTVPQ-UHFFFAOYSA-N -1 1 417.512 4.091 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1C ZINC000521280542 929096892 /nfs/dbraw/zinc/09/68/92/929096892.db2.gz WKYNDOWFDNGPIP-UHFFFAOYSA-N -1 1 402.497 4.070 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3cccnc3)cc2)cc1 ZINC000521564474 929300441 /nfs/dbraw/zinc/30/04/41/929300441.db2.gz DEVOSJIDOROICK-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3[nH]cnc3c2)cc1 ZINC000521580383 929308611 /nfs/dbraw/zinc/30/86/11/929308611.db2.gz MTAAIFIBPPFVIS-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)c(C)c1 ZINC000521676169 929360595 /nfs/dbraw/zinc/36/05/95/929360595.db2.gz CVDOOZFZIFNUFX-KRWDZBQOSA-N -1 1 414.527 4.489 20 0 HIADMM CCCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H](C)c1ccccc1OC ZINC000521759571 929420615 /nfs/dbraw/zinc/42/06/15/929420615.db2.gz SXZVRIYMDGHRSM-KRWDZBQOSA-N -1 1 420.513 4.104 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)c1C ZINC000521759874 929420831 /nfs/dbraw/zinc/42/08/31/929420831.db2.gz DBOMMCVHRIQBHL-UHFFFAOYSA-N -1 1 412.467 4.115 20 0 HIADMM Cc1ccc(-c2csc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)s1 ZINC000524574066 929695293 /nfs/dbraw/zinc/69/52/93/929695293.db2.gz CYEJDMAUEHDXBI-UHFFFAOYSA-N -1 1 423.523 4.227 20 0 HIADMM Cc1ccc(-n2nc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c3c2CCC3)c(C)c1 ZINC000524606449 929717169 /nfs/dbraw/zinc/71/71/69/929717169.db2.gz LBIXILOSKOJGKF-UHFFFAOYSA-N -1 1 413.481 4.326 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H](C)[C@@H]3C)c2)c1 ZINC000524653667 929766395 /nfs/dbraw/zinc/76/63/95/929766395.db2.gz GIEYYJCETUTICT-WMZOPIPTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](C)[C@H]3C)c2)c1 ZINC000524653666 929767380 /nfs/dbraw/zinc/76/73/80/929767380.db2.gz GIEYYJCETUTICT-SJLPKXTDSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H](C)[C@H]3C)c2)c1 ZINC000524653665 929767650 /nfs/dbraw/zinc/76/76/50/929767650.db2.gz GIEYYJCETUTICT-FUHWJXTLSA-N -1 1 400.544 4.365 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@@H](C)CC)c2)cc1 ZINC000524692593 929801659 /nfs/dbraw/zinc/80/16/59/929801659.db2.gz NOVBFIGLCNJEER-INIZCTEOSA-N -1 1 404.532 4.004 20 0 HIADMM CC[C@H]1CCCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000524749432 929817875 /nfs/dbraw/zinc/81/78/75/929817875.db2.gz GFAYHRJYLCHYNF-IBGZPJMESA-N -1 1 404.507 4.421 20 0 HIADMM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1Cl)c1sccc1Br ZINC000524870475 929866803 /nfs/dbraw/zinc/86/68/03/929866803.db2.gz HNYIKLGAXWZHAO-HQJQHLMTSA-N -1 1 410.717 4.138 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1C ZINC000525020355 929980413 /nfs/dbraw/zinc/98/04/13/929980413.db2.gz AGHCPALTFCGZTC-UHFFFAOYSA-N -1 1 412.467 4.078 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000525108886 930041643 /nfs/dbraw/zinc/04/16/43/930041643.db2.gz YULPSICLOWYQMV-UHFFFAOYSA-N -1 1 416.403 4.229 20 0 HIADMM CC(C)(C)[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000525171999 930075563 /nfs/dbraw/zinc/07/55/63/930075563.db2.gz NYDIGQCDZUEVBM-KRWDZBQOSA-N -1 1 414.449 4.194 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(C)c2)c2ccccc12 ZINC000525369094 930200329 /nfs/dbraw/zinc/20/03/29/930200329.db2.gz JSZKINATVLFCIK-UHFFFAOYSA-N -1 1 412.511 4.050 20 0 HIADMM COc1cc(NC(=O)N2CCCCC[C@H]2c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000525418631 930230070 /nfs/dbraw/zinc/23/00/70/930230070.db2.gz IDNPWZLGSCDLQV-IBGZPJMESA-N -1 1 417.531 4.216 20 0 HIADMM CCC[C@@H](CCc1ccccc1)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000525571768 930337424 /nfs/dbraw/zinc/33/74/24/930337424.db2.gz ARRHCLNISMTIQJ-FQEVSTJZSA-N -1 1 404.514 4.013 20 0 HIADMM CCCc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000525584153 930345889 /nfs/dbraw/zinc/34/58/89/930345889.db2.gz QFZYPPHJICSRSZ-UHFFFAOYSA-N -1 1 415.540 4.457 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(C3CC3)C3CC3)c2)cc1F ZINC000525731820 930418632 /nfs/dbraw/zinc/41/86/32/930418632.db2.gz DAAVUXUJBUYARG-UHFFFAOYSA-N -1 1 416.518 4.101 20 0 HIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)c(Br)c3)c2)n1 ZINC000525749834 930428480 /nfs/dbraw/zinc/42/84/80/930428480.db2.gz QGIFSRPLKNILLJ-UHFFFAOYSA-N -1 1 422.304 4.225 20 0 HIADMM C[C@H]1C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000525940469 930489399 /nfs/dbraw/zinc/48/93/99/930489399.db2.gz UTRMUCORAZOJBS-STQMWFEESA-N -1 1 412.433 4.129 20 0 HIADMM Cn1ccc2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc21 ZINC000525957674 930495261 /nfs/dbraw/zinc/49/52/61/930495261.db2.gz NYJBVWWFKCXPNL-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM CCc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000526986794 930562331 /nfs/dbraw/zinc/56/23/31/930562331.db2.gz XUVNTMDCRGUOKU-UHFFFAOYSA-N -1 1 407.861 4.450 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c(Br)c1 ZINC000526997529 930563785 /nfs/dbraw/zinc/56/37/85/930563785.db2.gz ZCBPMWYDFLFRQY-UHFFFAOYSA-N -1 1 414.321 4.354 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C1=CCCCC1 ZINC000527362254 930647585 /nfs/dbraw/zinc/64/75/85/930647585.db2.gz FRGJCKSRRYUBMQ-UHFFFAOYSA-N -1 1 406.891 4.285 20 0 HIADMM O=S(=O)([N-]c1cccc(Cn2cncn2)c1)c1ccc2oc3ccccc3c2c1 ZINC000530665659 930792549 /nfs/dbraw/zinc/79/25/49/930792549.db2.gz DCNNDRBCOUNNQZ-UHFFFAOYSA-N -1 1 404.451 4.027 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1cccc2[nH]ccc21 ZINC000530861599 930842846 /nfs/dbraw/zinc/84/28/46/930842846.db2.gz OIFGEFCKDCDOTN-UHFFFAOYSA-N -1 1 419.506 4.241 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nncn2C(C)C)cc1C ZINC000530998832 930879876 /nfs/dbraw/zinc/87/98/76/930879876.db2.gz VMPXXBGZWPXREC-UHFFFAOYSA-N -1 1 400.504 4.034 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)ccc2o1 ZINC000531237816 930977314 /nfs/dbraw/zinc/97/73/14/930977314.db2.gz LDUNQFCYFFNUCK-UHFFFAOYSA-N -1 1 420.490 4.389 20 0 HIADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)[nH]n1 ZINC000531257862 930984993 /nfs/dbraw/zinc/98/49/93/930984993.db2.gz WSNYWVWAQDPSHJ-UHFFFAOYSA-N -1 1 412.515 4.171 20 0 HIADMM CCC[C@@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1nn[n-]n1 ZINC000531571152 931106126 /nfs/dbraw/zinc/10/61/26/931106126.db2.gz UCSPEFJDIGPNOJ-SECBINFHSA-N -1 1 403.817 4.358 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cc2ccccc2[nH]1 ZINC000531898094 931239025 /nfs/dbraw/zinc/23/90/25/931239025.db2.gz XJHNENSBVZCDIM-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1C(=O)N(C)C ZINC000532038281 931293805 /nfs/dbraw/zinc/29/38/05/931293805.db2.gz RLQVXUHGSYPMJL-UHFFFAOYSA-N -1 1 402.903 4.304 20 0 HIADMM O=C(Nc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1)c1ccc(Br)o1 ZINC000532267350 931377454 /nfs/dbraw/zinc/37/74/54/931377454.db2.gz IKZKPFBBMVBBGY-UHFFFAOYSA-N -1 1 419.206 4.391 20 0 HIADMM Cc1ccc(NC(=O)Cc2cccnc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000533214349 931811552 /nfs/dbraw/zinc/81/15/52/931811552.db2.gz UBEZNDYXBBZMJT-UHFFFAOYSA-N -1 1 415.902 4.025 20 0 HIADMM CCc1noc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000533716820 931987689 /nfs/dbraw/zinc/98/76/89/931987689.db2.gz PVXQJMVNBWYITL-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)c1 ZINC000534357442 932390989 /nfs/dbraw/zinc/39/09/89/932390989.db2.gz BMCRQUYTHHFGNQ-UHFFFAOYSA-N -1 1 418.375 4.116 20 0 HIADMM CC(C)(c1nnc([N-]C(=O)c2csc([C@H]3CCCO3)n2)s1)c1ccccc1 ZINC000534418303 932436915 /nfs/dbraw/zinc/43/69/15/932436915.db2.gz BWWKVHIXGHHZJC-CQSZACIVSA-N -1 1 400.529 4.424 20 0 HIADMM COc1cc(F)c(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)cc1OC ZINC000534997358 932881781 /nfs/dbraw/zinc/88/17/81/932881781.db2.gz GPUZXDWGWQLILY-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)ccc1OC(C)C ZINC000535234610 933032208 /nfs/dbraw/zinc/03/22/08/933032208.db2.gz QJMIJZOSDUBXGH-UHFFFAOYSA-N -1 1 423.538 4.498 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000535311274 933065972 /nfs/dbraw/zinc/06/59/72/933065972.db2.gz BPFGWRNEPYTCQV-CYBMUJFWSA-N -1 1 421.522 4.133 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](c3cccnc3)C3CC3)c2)cc1 ZINC000535558606 933242589 /nfs/dbraw/zinc/24/25/89/933242589.db2.gz BQNYFQGXZCQPLS-JOCHJYFZSA-N -1 1 421.522 4.072 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)c(=O)[n-]1 ZINC000535611224 933266866 /nfs/dbraw/zinc/26/68/66/933266866.db2.gz RMACOIHMSPBXKK-UHFFFAOYSA-N -1 1 417.531 4.048 20 0 HIADMM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(Br)c([O-])c1 ZINC000535719629 933367145 /nfs/dbraw/zinc/36/71/45/933367145.db2.gz LDYPVESUBBTLKW-OCCSQVGLSA-N -1 1 411.093 4.203 20 0 HIADMM CCCc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)s1 ZINC000537377055 933744807 /nfs/dbraw/zinc/74/48/07/933744807.db2.gz BHEVWONSZUGNRH-UHFFFAOYSA-N -1 1 415.540 4.457 20 0 HIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)c(F)c1 ZINC000537441581 933776350 /nfs/dbraw/zinc/77/63/50/933776350.db2.gz VKVGQIOHRRLYNQ-UHFFFAOYSA-N -1 1 410.302 4.019 20 0 HIADMM Cc1nc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)n2)co1 ZINC000562900223 945145758 /nfs/dbraw/zinc/14/57/58/945145758.db2.gz OOXGOXPLXMUIKP-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000537760794 938371389 /nfs/dbraw/zinc/37/13/89/938371389.db2.gz SZGPTUYDEAXTQA-UHFFFAOYSA-N -1 1 418.409 4.212 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC12CCC2 ZINC000537830436 938385789 /nfs/dbraw/zinc/38/57/89/938385789.db2.gz KIZRGYHINZSDAQ-INIZCTEOSA-N -1 1 416.518 4.279 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000537837215 938386269 /nfs/dbraw/zinc/38/62/69/938386269.db2.gz OCGGNLUHDHPEPS-UHFFFAOYSA-N -1 1 416.543 4.075 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1ccccc1 ZINC000537837923 938386454 /nfs/dbraw/zinc/38/64/54/938386454.db2.gz WRCCFELPUGZUKQ-UHFFFAOYSA-N -1 1 408.479 4.065 20 0 HIADMM COc1ccccc1N(C(C)=O)c1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1 ZINC000538516745 938639273 /nfs/dbraw/zinc/63/92/73/938639273.db2.gz PEEFWVCTQDZFOW-UHFFFAOYSA-N -1 1 416.528 4.241 20 0 HIADMM Cc1nc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(Cl)cc1Cl ZINC000538700393 938686598 /nfs/dbraw/zinc/68/65/98/938686598.db2.gz JQPVIGXHJHOTOZ-UHFFFAOYSA-N -1 1 416.330 4.482 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000538828477 938721168 /nfs/dbraw/zinc/72/11/68/938721168.db2.gz IIMABFDBBLXIFV-UHFFFAOYSA-N -1 1 420.469 4.184 20 0 HIADMM Cn1ncc2c1nc(Oc1cccc(OCc3cccc(C(F)(F)F)c3)c1)[n-]c2=O ZINC000538931681 938740730 /nfs/dbraw/zinc/74/07/30/938740730.db2.gz KJEDYFRHMJZKOC-UHFFFAOYSA-N -1 1 416.359 4.459 20 0 HIADMM CCOc1ccccc1-c1cccc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000538997163 938764306 /nfs/dbraw/zinc/76/43/06/938764306.db2.gz IEYDRUVEBPJTRB-UHFFFAOYSA-N -1 1 416.481 4.047 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(OC2CCC2)cc1Cl ZINC000539151799 938812007 /nfs/dbraw/zinc/81/20/07/938812007.db2.gz JLSOEHYAWJJSMK-UHFFFAOYSA-N -1 1 412.870 4.034 20 0 HIADMM CC(C)[C@@H]1CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000539456910 938863563 /nfs/dbraw/zinc/86/35/63/938863563.db2.gz WZCJJWHRIZKFEY-SFHVURJKSA-N -1 1 410.898 4.150 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000539631967 938890838 /nfs/dbraw/zinc/89/08/38/938890838.db2.gz APZQAWINOBOOIU-UHFFFAOYSA-N -1 1 411.531 4.169 20 0 HIADMM O=C(Nc1nc2c(s1)CCC2)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000539852148 938958212 /nfs/dbraw/zinc/95/82/12/938958212.db2.gz FMFYNERIOFQFBC-UHFFFAOYSA-N -1 1 415.421 4.120 20 0 HIADMM O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000540038760 939045959 /nfs/dbraw/zinc/04/59/59/939045959.db2.gz NETADPZHIKXDPO-UHFFFAOYSA-N -1 1 423.494 4.456 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3[C@H](C)CC[C@@H]3CC)cc2)cc1 ZINC000540116450 939078693 /nfs/dbraw/zinc/07/86/93/939078693.db2.gz JLOUHOLFAHTGTO-APWZRJJASA-N -1 1 416.543 4.289 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1 ZINC000540214156 939131551 /nfs/dbraw/zinc/13/15/51/939131551.db2.gz YSLMOEHQEQIEES-INIZCTEOSA-N -1 1 404.532 4.111 20 0 HIADMM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)cs2)c(C)c1 ZINC000540249205 939167141 /nfs/dbraw/zinc/16/71/41/939167141.db2.gz UDGCZNZMFGPYEX-UHFFFAOYSA-N -1 1 419.503 4.190 20 0 HIADMM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)cc4[N-]S(C)(=O)=O)cc3c2C1 ZINC000540251402 939169411 /nfs/dbraw/zinc/16/94/11/939169411.db2.gz BIOXGHARSRHKEV-GFCCVEGCSA-N -1 1 415.490 4.056 20 0 HIADMM COc1ccsc1S(=O)(=O)[N-]c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000540330324 939197089 /nfs/dbraw/zinc/19/70/89/939197089.db2.gz AJGJQSBCRKWLHL-UHFFFAOYSA-N -1 1 404.300 4.254 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)cc1 ZINC000540337893 939199560 /nfs/dbraw/zinc/19/95/60/939199560.db2.gz GVQBFHFZISPFHI-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540646504 939329840 /nfs/dbraw/zinc/32/98/40/939329840.db2.gz OWSGVOOOMWXAQC-QAPCUYQASA-N -1 1 415.415 4.350 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Oc3nncc4ccccc43)cc2)c1 ZINC000541241269 939487196 /nfs/dbraw/zinc/48/71/96/939487196.db2.gz GMSAMSHOTAHTAL-UHFFFAOYSA-N -1 1 414.421 4.338 20 0 HIADMM CC(C)OCCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000541364894 939497427 /nfs/dbraw/zinc/49/74/27/939497427.db2.gz LQXSFLSFDVOXCO-UHFFFAOYSA-N -1 1 410.923 4.285 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](C(C)(C)C)C3)c2)cc1 ZINC000541489250 939534270 /nfs/dbraw/zinc/53/42/70/939534270.db2.gz RIYAMRLNKXDPCR-KRWDZBQOSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(C)(C)C)cc2)c1 ZINC000541730021 939615699 /nfs/dbraw/zinc/61/56/99/939615699.db2.gz FUVHXVUFNABEMJ-UHFFFAOYSA-N -1 1 409.442 4.371 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1Cl ZINC000542093080 939708249 /nfs/dbraw/zinc/70/82/49/939708249.db2.gz GRDVYSJEKYUXTA-UHFFFAOYSA-N -1 1 402.697 4.414 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c(C)c1F ZINC000542093376 939709322 /nfs/dbraw/zinc/70/93/22/939709322.db2.gz INQUOJVKRYNUOC-UHFFFAOYSA-N -1 1 405.447 4.253 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccnc(C2CC2)c1 ZINC000542177544 939745095 /nfs/dbraw/zinc/74/50/95/939745095.db2.gz YCJKNTKNDUEHQQ-UHFFFAOYSA-N -1 1 411.458 4.151 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCCOC(C)C)cc2)cc1C ZINC000542182077 939747798 /nfs/dbraw/zinc/74/77/98/939747798.db2.gz DLKVNLKCOFGQJP-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM CCC[C@H]1CCCCN1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000542752098 939858922 /nfs/dbraw/zinc/85/89/22/939858922.db2.gz DFQZVAQKKGUQRU-IBGZPJMESA-N -1 1 415.559 4.352 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)cc1 ZINC000542864085 939863953 /nfs/dbraw/zinc/86/39/53/939863953.db2.gz FCMAFBDAWNUUSV-UHFFFAOYSA-N -1 1 423.538 4.437 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(OC(C)(C)C)c(F)c2)cc1OC ZINC000542982014 939891260 /nfs/dbraw/zinc/89/12/60/939891260.db2.gz FSBLBZHUJIZXLX-UHFFFAOYSA-N -1 1 415.458 4.269 20 0 HIADMM Cn1cnc(-c2cccc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)c2)n1 ZINC000543022770 939897148 /nfs/dbraw/zinc/89/71/48/939897148.db2.gz HJEMFYNAZRTPLV-UHFFFAOYSA-N -1 1 404.451 4.182 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1Cl ZINC000543023636 939897267 /nfs/dbraw/zinc/89/72/67/939897267.db2.gz YVSUCMPFQWUQMG-UHFFFAOYSA-N -1 1 407.797 4.285 20 0 HIADMM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000543609871 940129971 /nfs/dbraw/zinc/12/99/71/940129971.db2.gz VVFBTNOSWZJNOR-JTSKRJEESA-N -1 1 421.522 4.106 20 0 HIADMM CCn1c(SCC(=O)Nc2ccc([O-])c(Cl)c2)nnc1-c1cccc(C)c1 ZINC000543746167 940174663 /nfs/dbraw/zinc/17/46/63/940174663.db2.gz RBKKQAYBNRHLRK-UHFFFAOYSA-N -1 1 402.907 4.363 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])c(Cl)c1Cl ZINC000543788640 940187206 /nfs/dbraw/zinc/18/72/06/940187206.db2.gz VDEWEZVSSMDQNJ-UHFFFAOYSA-N -1 1 418.298 4.210 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)cc1C ZINC000543793090 940188208 /nfs/dbraw/zinc/18/82/08/940188208.db2.gz XHDKBVFSIDQLIW-UHFFFAOYSA-N -1 1 409.511 4.028 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCCOC(C)C)ccc2C)c1 ZINC000544038115 940306970 /nfs/dbraw/zinc/30/69/70/940306970.db2.gz JSJQKIANEBXEOZ-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1nccnc1Sc1ccccc1 ZINC000544074078 940318418 /nfs/dbraw/zinc/31/84/18/940318418.db2.gz WYONSUSRLCMMPS-UHFFFAOYSA-N -1 1 423.498 4.462 20 0 HIADMM Cc1ccc([C@H](C)c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)cc1 ZINC000544526253 940471789 /nfs/dbraw/zinc/47/17/89/940471789.db2.gz HSWFGJOOVNKONW-HNNXBMFYSA-N -1 1 401.470 4.181 20 0 HIADMM Cc1[nH]nc([N-]S(=O)(=O)Cc2cccc(F)c2)c1-c1cccc(Br)c1 ZINC000544667624 940500598 /nfs/dbraw/zinc/50/05/98/940500598.db2.gz NQWADEYRPQPCJC-UHFFFAOYSA-N -1 1 424.295 4.229 20 0 HIADMM O=S(=O)([N-][C@H]1CCSc2ccc(Cl)cc21)c1ccc(Br)o1 ZINC000544746101 940510271 /nfs/dbraw/zinc/51/02/71/940510271.db2.gz OMZYRUJBPIZJQG-JTQLQIEISA-N -1 1 408.726 4.211 20 0 HIADMM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000544884401 940521526 /nfs/dbraw/zinc/52/15/26/940521526.db2.gz MKCMKWUTVWMAFP-HNNXBMFYSA-N -1 1 414.449 4.257 20 0 HIADMM Cc1cccc(CN(C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000544889333 940522004 /nfs/dbraw/zinc/52/20/04/940522004.db2.gz BJRPXNSKBQGLLP-UHFFFAOYSA-N -1 1 409.511 4.460 20 0 HIADMM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)CO2 ZINC000544889894 940522140 /nfs/dbraw/zinc/52/21/40/940522140.db2.gz JHSYRTXSZDBLSM-FQEVSTJZSA-N -1 1 423.494 4.051 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(-c2nc([C@@H]3Cc4ccccc43)no2)c1 ZINC000544977624 940530268 /nfs/dbraw/zinc/53/02/68/940530268.db2.gz JTRKVWBWDRPFKL-HXUWFJFHSA-N -1 1 421.453 4.365 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(Cc3cccc4ccccc43)no2)o1 ZINC000545021004 940534242 /nfs/dbraw/zinc/53/42/42/940534242.db2.gz JYACYQVNEURSTP-UHFFFAOYSA-N -1 1 411.483 4.150 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ncccc4C)no3)c2)cc1F ZINC000545025128 940534643 /nfs/dbraw/zinc/53/46/43/940534643.db2.gz YYLGPMUHBDYOHF-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)cc(Cl)c1[O-] ZINC000545136585 940547515 /nfs/dbraw/zinc/54/75/15/940547515.db2.gz CZMSUMQAESJURR-UHFFFAOYSA-N -1 1 415.881 4.104 20 0 HIADMM CCOc1cc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc(Cl)c1[O-] ZINC000545169237 940553870 /nfs/dbraw/zinc/55/38/70/940553870.db2.gz DCYDBBUQQKGUKY-UHFFFAOYSA-N -1 1 423.340 4.446 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c(=O)[n-]1 ZINC000545255700 940558899 /nfs/dbraw/zinc/55/88/99/940558899.db2.gz WOMWVFIDNQAHBI-UHFFFAOYSA-N -1 1 412.342 4.257 20 0 HIADMM CCCOc1ccc(NC(=O)c2ccc(I)c([O-])c2)c(C)c1 ZINC000545493739 940572023 /nfs/dbraw/zinc/57/20/23/940572023.db2.gz DDZQSBOFLHKCHS-UHFFFAOYSA-N -1 1 411.239 4.346 20 0 HIADMM CCS[C@H]1CCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545515905 940572777 /nfs/dbraw/zinc/57/27/77/940572777.db2.gz KEZKQZRHJFNBRE-MOPGFXCFSA-N -1 1 419.572 4.283 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4cc(C)ccn4)no3)c2)c1 ZINC000545584102 940575901 /nfs/dbraw/zinc/57/59/01/940575901.db2.gz UHZINIOTGDQVDZ-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1cncc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)c(C)c4)cc3)n2)c1 ZINC000545610095 940577132 /nfs/dbraw/zinc/57/71/32/940577132.db2.gz HQPBIQJCKVILQI-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)cc(Cl)c1[O-] ZINC000545857839 940639337 /nfs/dbraw/zinc/63/93/37/940639337.db2.gz URWGAMALZAMOBD-CQSZACIVSA-N -1 1 424.875 4.117 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)cc(Cl)c1[O-] ZINC000545856524 940639800 /nfs/dbraw/zinc/63/98/00/940639800.db2.gz AEFGKSVVNWELQG-ZBEGNZNMSA-N -1 1 418.877 4.045 20 0 HIADMM CCOc1cc(C(=O)N(Cc2cccc(OC)c2)C[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000545876587 940648137 /nfs/dbraw/zinc/64/81/37/940648137.db2.gz CAGKKSYSILMQTA-GOSISDBHSA-N -1 1 419.905 4.274 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc(Cl)c1[O-] ZINC000545877267 940649231 /nfs/dbraw/zinc/64/92/31/940649231.db2.gz HNNNPIZLOBHOFD-UHFFFAOYSA-N -1 1 402.878 4.369 20 0 HIADMM CCOc1cc(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc(Cl)c1[O-] ZINC000545878510 940649740 /nfs/dbraw/zinc/64/97/40/940649740.db2.gz ROZINHRMOCVYAS-UHFFFAOYSA-N -1 1 411.285 4.165 20 0 HIADMM COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc(Cl)c1[O-] ZINC000545882665 940652124 /nfs/dbraw/zinc/65/21/24/940652124.db2.gz DOUQGTMRVRNNKM-UHFFFAOYSA-N -1 1 402.859 4.365 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1(C)C ZINC000546139481 940710826 /nfs/dbraw/zinc/71/08/26/940710826.db2.gz HPXLZAFOAWMEOU-HNNXBMFYSA-N -1 1 404.507 4.135 20 0 HIADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000546192943 940725811 /nfs/dbraw/zinc/72/58/11/940725811.db2.gz RXRZAYWEJAODEV-IUODEOHRSA-N -1 1 407.251 4.015 20 0 HIADMM O=C(Nc1ccccc1OCC1CC1)c1ccc(I)c([O-])c1 ZINC000546210574 940730603 /nfs/dbraw/zinc/73/06/03/940730603.db2.gz SOKGOMZMBMDCHJ-UHFFFAOYSA-N -1 1 409.223 4.038 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H]1CCc2c1cccc2O ZINC000546216606 940732279 /nfs/dbraw/zinc/73/22/79/940732279.db2.gz FYCZYPDYSFLTJZ-FQEVSTJZSA-N -1 1 423.494 4.002 20 0 HIADMM O=C(NC/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546221627 940733791 /nfs/dbraw/zinc/73/37/91/940733791.db2.gz GFGDUFMZFAXZRF-DHZHZOJOSA-N -1 1 407.495 4.322 20 0 HIADMM C[C@@H](CCc1ccco1)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546224080 940735023 /nfs/dbraw/zinc/73/50/23/940735023.db2.gz YHCXMDXHIQNFBG-INIZCTEOSA-N -1 1 413.499 4.223 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc(COCC3CC3)no2)cc1 ZINC000546453451 940824149 /nfs/dbraw/zinc/82/41/49/940824149.db2.gz YSJSUZCIUPADEZ-UHFFFAOYSA-N -1 1 419.890 4.117 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc([C@H]3CCCO3)no2)c1 ZINC000546480161 940831685 /nfs/dbraw/zinc/83/16/85/940831685.db2.gz SUVLIPLVYJOGCV-MRXNPFEDSA-N -1 1 405.863 4.042 20 0 HIADMM CCOc1cc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)cc(Cl)c1[O-] ZINC000546558364 940852616 /nfs/dbraw/zinc/85/26/16/940852616.db2.gz HUIPANKDCKZDJI-UHFFFAOYSA-N -1 1 403.906 4.392 20 0 HIADMM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(N4CCCC[C@H]4C)cc3C)cc12 ZINC000546567191 940855066 /nfs/dbraw/zinc/85/50/66/940855066.db2.gz WCEBAJVWLUDKKM-OAHLLOKOSA-N -1 1 414.531 4.273 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4oc5ccccc5c4c3)cc2oc1=O ZINC000546639698 940864006 /nfs/dbraw/zinc/86/40/06/940864006.db2.gz YIZJHMULTLDQTA-UHFFFAOYSA-N -1 1 408.435 4.315 20 0 HIADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000546869041 940898543 /nfs/dbraw/zinc/89/85/43/940898543.db2.gz ZIWOHKXZNJKLDL-SECBINFHSA-N -1 1 417.193 4.108 20 0 HIADMM Cc1cnc([C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000546928356 940916099 /nfs/dbraw/zinc/91/60/99/940916099.db2.gz XUQAICPTLZDKCR-CQSZACIVSA-N -1 1 416.528 4.135 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccc(C)nc4)no3)c2)cc1 ZINC000546977291 940933882 /nfs/dbraw/zinc/93/38/82/940933882.db2.gz MTNINIYVAIBYTN-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C)c(Br)cc1F ZINC000564062197 945367648 /nfs/dbraw/zinc/36/76/48/945367648.db2.gz UQOFRLCJQQXADM-UHFFFAOYSA-N -1 1 418.332 4.167 20 0 HIADMM C[C@H](c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1)c1ccncc1 ZINC000547220684 941036069 /nfs/dbraw/zinc/03/60/69/941036069.db2.gz YRJIQKPDDSSHHC-AWEZNQCLSA-N -1 1 424.457 4.223 20 0 HIADMM C[C@@H](c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1)c1ccncc1 ZINC000547220685 941036246 /nfs/dbraw/zinc/03/62/46/941036246.db2.gz YRJIQKPDDSSHHC-CQSZACIVSA-N -1 1 424.457 4.223 20 0 HIADMM CCOc1cc(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc(Cl)c1[O-] ZINC000547255708 941045256 /nfs/dbraw/zinc/04/52/56/941045256.db2.gz ZWVALOTXCGXOTO-UHFFFAOYSA-N -1 1 418.704 4.386 20 0 HIADMM CCOc1cc(C(=O)NCc2ccnc(N3CCCCCC3)c2)cc(Cl)c1[O-] ZINC000547257831 941045760 /nfs/dbraw/zinc/04/57/60/941045760.db2.gz XMINSEFMAITGCV-UHFFFAOYSA-N -1 1 403.910 4.150 20 0 HIADMM COc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1[O-] ZINC000547299840 941055090 /nfs/dbraw/zinc/05/50/90/941055090.db2.gz PQLZVKGWOZVMJW-UHFFFAOYSA-N -1 1 417.676 4.072 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC(C)=O)cc1C ZINC000548279424 941093254 /nfs/dbraw/zinc/09/32/54/941093254.db2.gz SENFDQJTWBUIDN-UHFFFAOYSA-N -1 1 416.421 4.172 20 0 HIADMM CC(C)n1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cn1 ZINC000550572067 941340826 /nfs/dbraw/zinc/34/08/26/941340826.db2.gz IIQZAINHHSPNMS-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM O=C(Cc1coc2ccccc12)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000551923177 941561772 /nfs/dbraw/zinc/56/17/72/941561772.db2.gz CVDVETFHGMKONB-UHFFFAOYSA-N -1 1 406.463 4.415 20 0 HIADMM CC(=O)N[C@H](CC(=O)Nc1c([O-])cc(Br)cc1Cl)c1ccccc1 ZINC000552027013 941570035 /nfs/dbraw/zinc/57/00/35/941570035.db2.gz QOQGWFQIMHVBMR-CQSZACIVSA-N -1 1 411.683 4.014 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H](C)n3cccc3)ccc2C)c1 ZINC000552105830 941586244 /nfs/dbraw/zinc/58/62/44/941586244.db2.gz JYAVUKVAOKHXNB-GOSISDBHSA-N -1 1 411.527 4.496 20 0 HIADMM CCc1csc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)n1 ZINC000552183141 941597382 /nfs/dbraw/zinc/59/73/82/941597382.db2.gz ZLHQMEIMXLUQNM-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000553000042 941813911 /nfs/dbraw/zinc/81/39/11/941813911.db2.gz LJHJIWGJCHLCMH-INIZCTEOSA-N -1 1 422.497 4.433 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000553206152 941849067 /nfs/dbraw/zinc/84/90/67/941849067.db2.gz RSKLSKQGACZGOI-KBPBESRZSA-N -1 1 411.449 4.297 20 0 HIADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000554116143 942040166 /nfs/dbraw/zinc/04/01/66/942040166.db2.gz NEPCURGWQSCMGL-HSZRJFAPSA-N -1 1 420.534 4.411 20 0 HIADMM CCc1oc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1C(=O)[O-] ZINC000555426562 942526700 /nfs/dbraw/zinc/52/67/00/942526700.db2.gz YSSXCNJEPYVYJX-UHFFFAOYSA-N -1 1 402.410 4.245 20 0 HIADMM O=S(=O)([N-]c1nc2ccc(C(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1F ZINC000556185228 942816018 /nfs/dbraw/zinc/81/60/18/942816018.db2.gz DEEQTXXPWKDOMH-UHFFFAOYSA-N -1 1 411.739 4.314 20 0 HIADMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)no1 ZINC000556397925 942856680 /nfs/dbraw/zinc/85/66/80/942856680.db2.gz FYDCXMXAQOFRBR-UHFFFAOYSA-N -1 1 405.907 4.300 20 0 HIADMM CC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1F ZINC000557087064 943017111 /nfs/dbraw/zinc/01/71/11/943017111.db2.gz IQAARFQCVCEDRA-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@H]1c1cccnc1 ZINC000557379550 943093695 /nfs/dbraw/zinc/09/36/95/943093695.db2.gz JLZAQGULGKIBOE-NRFANRHFSA-N -1 1 421.522 4.106 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)cc1 ZINC000557423670 943116425 /nfs/dbraw/zinc/11/64/25/943116425.db2.gz OAXWLUWMFQSIIH-UHFFFAOYSA-N -1 1 407.495 4.188 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)cc1 ZINC000557423519 943116780 /nfs/dbraw/zinc/11/67/80/943116780.db2.gz DMVCLQOUQFSVBS-UHFFFAOYSA-N -1 1 404.875 4.475 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC2(Cc3ccc(Cl)cc3)CCC2)c(=O)[n-]1 ZINC000557436515 943124742 /nfs/dbraw/zinc/12/47/42/943124742.db2.gz QGTNYSLKBYOTRB-UHFFFAOYSA-N -1 1 405.951 4.080 20 0 HIADMM O=C(NC[C@H]1CCCSC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000557984936 943346322 /nfs/dbraw/zinc/34/63/22/943346322.db2.gz FDLZNXLLLHJUCG-CQSZACIVSA-N -1 1 424.975 4.014 20 0 HIADMM O=C(Nc1ccccn1)c1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000558026141 943359450 /nfs/dbraw/zinc/35/94/50/943359450.db2.gz QZAAKUAMHNUNFX-UHFFFAOYSA-N -1 1 403.410 4.072 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(Cl)c1 ZINC000558044986 943364837 /nfs/dbraw/zinc/36/48/37/943364837.db2.gz XAQAMQPRGILIRX-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM CC(C)c1scnc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000558055272 943367813 /nfs/dbraw/zinc/36/78/13/943367813.db2.gz CSRDSDXSCLJLQN-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM Cc1nc(SCc2ccnc(-c3ccc(Br)cc3)n2)[n-]c(=O)c1C ZINC000558068504 943372030 /nfs/dbraw/zinc/37/20/30/943372030.db2.gz WFXONCSJEKQFTH-UHFFFAOYSA-N -1 1 403.305 4.311 20 0 HIADMM COc1cccc2c1OCC(C(=O)Nc1c([O-])cc(Br)cc1Cl)=C2 ZINC000558409731 943552051 /nfs/dbraw/zinc/55/20/51/943552051.db2.gz TZJUKYJBUVVJBY-UHFFFAOYSA-N -1 1 410.651 4.231 20 0 HIADMM CC(C)(C)[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(F)(F)F ZINC000558638779 943623315 /nfs/dbraw/zinc/62/33/15/943623315.db2.gz DBAXRJHIAGIMOT-KRWDZBQOSA-N -1 1 414.449 4.194 20 0 HIADMM C[C@]1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C[C@H]2C[C@H]2C1 ZINC000558859914 943703815 /nfs/dbraw/zinc/70/38/15/943703815.db2.gz KTCHQIZQFSMMLL-PPTBJCHFSA-N -1 1 406.454 4.140 20 0 HIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1n[nH]nc1-c1ccccc1 ZINC000559045413 943814262 /nfs/dbraw/zinc/81/42/62/943814262.db2.gz IVMAOKGYUJZSLQ-MRXNPFEDSA-N -1 1 402.483 4.044 20 0 HIADMM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c(OC)c1OC ZINC000559981369 944109034 /nfs/dbraw/zinc/10/90/34/944109034.db2.gz LIVRCAOLQFKXAK-OAHLLOKOSA-N -1 1 413.392 4.037 20 0 HIADMM CC(C)C(C)(C)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000560165539 944184418 /nfs/dbraw/zinc/18/44/18/944184418.db2.gz CMRMRWCKEFYFKT-UHFFFAOYSA-N -1 1 417.138 4.064 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cc(OCC(F)F)ccn1 ZINC000560503854 944237555 /nfs/dbraw/zinc/23/75/55/944237555.db2.gz ZGXKLTQOKYJTSS-UHFFFAOYSA-N -1 1 407.598 4.099 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000560615650 944275626 /nfs/dbraw/zinc/27/56/26/944275626.db2.gz OHQFNYQORFWBLT-VXKWHMMOSA-N -1 1 424.497 4.221 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(Cc3ccc(C)c(C)c3)CC2)c(=O)[n-]1 ZINC000560931517 944371076 /nfs/dbraw/zinc/37/10/76/944371076.db2.gz PVIYTGFXHDHWTJ-UHFFFAOYSA-N -1 1 413.587 4.243 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(C)C)sc3c2)c1 ZINC000561687530 944746528 /nfs/dbraw/zinc/74/65/28/944746528.db2.gz WFTYGJIUEVDNCT-UHFFFAOYSA-N -1 1 417.556 4.312 20 0 HIADMM CCCc1nc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)co1 ZINC000561942562 944869176 /nfs/dbraw/zinc/86/91/76/944869176.db2.gz YUBKYMICOYQMMH-UHFFFAOYSA-N -1 1 410.455 4.145 20 0 HIADMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)cc1 ZINC000564751906 945747237 /nfs/dbraw/zinc/74/72/37/945747237.db2.gz AXHZIOCAURSJKV-UHFFFAOYSA-N -1 1 419.977 4.046 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(-c4ccccc4)c3)cc2C[C@@H]1C ZINC000565084064 945770807 /nfs/dbraw/zinc/77/08/07/945770807.db2.gz YIVAXQYXLUSXJP-INIZCTEOSA-N -1 1 406.507 4.452 20 0 HIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C)c(Br)cc1F ZINC000565324506 945809980 /nfs/dbraw/zinc/80/99/80/945809980.db2.gz FOXABTKQOAFAGG-UHFFFAOYSA-N -1 1 404.305 4.092 20 0 HIADMM COc1c(F)cc([N-]S(=O)(=O)c2cc(C)c(Br)cc2C)cc1F ZINC000565737836 945875954 /nfs/dbraw/zinc/87/59/54/945875954.db2.gz OTTIVBHRXSWCKS-UHFFFAOYSA-N -1 1 406.248 4.154 20 0 HIADMM Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000565973494 945952694 /nfs/dbraw/zinc/95/26/94/945952694.db2.gz PXEKWGXWDVDNNH-UHFFFAOYSA-N -1 1 401.631 4.235 20 0 HIADMM C[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@H](c2ccc(F)cc2)O1 ZINC000566377921 946013739 /nfs/dbraw/zinc/01/37/39/946013739.db2.gz TYTUMKNCQUPQBT-HXPMCKFVSA-N -1 1 400.837 4.335 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c1 ZINC000566534580 946036002 /nfs/dbraw/zinc/03/60/02/946036002.db2.gz LTGOQBNNXJNPNH-SFHVURJKSA-N -1 1 421.906 4.015 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3[C@H](CC)CC[C@@H]3C)c2)cc1 ZINC000567098527 946243065 /nfs/dbraw/zinc/24/30/65/946243065.db2.gz NVKHHTMTIKYKMG-QFBILLFUSA-N -1 1 416.543 4.289 20 0 HIADMM CC[C@H]1CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000568101972 946463239 /nfs/dbraw/zinc/46/32/39/946463239.db2.gz HQUNBCUYZFUZNM-INIZCTEOSA-N -1 1 412.433 4.131 20 0 HIADMM Cc1cc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)ccc1O ZINC000568249750 946488547 /nfs/dbraw/zinc/48/85/47/946488547.db2.gz BEYNIEZJHJOTKW-UHFFFAOYSA-N -1 1 407.451 4.218 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CC[C@H](CC2CC2)C1 ZINC000568313786 946501268 /nfs/dbraw/zinc/50/12/68/946501268.db2.gz CFSNPSZMMDFLHZ-OAHLLOKOSA-N -1 1 420.481 4.028 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000569511421 946883110 /nfs/dbraw/zinc/88/31/10/946883110.db2.gz FYVKIJDGKWDHQY-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000570746618 947343600 /nfs/dbraw/zinc/34/36/00/947343600.db2.gz JZCDNKYDSKAJAW-UHFFFAOYSA-N -1 1 411.760 4.305 20 0 HIADMM O=S(=O)([N-]c1cccc(O)c1F)c1cc(Br)c(Cl)cc1Cl ZINC000571375056 947629787 /nfs/dbraw/zinc/62/97/87/947629787.db2.gz ZYODSAAEDLGADO-UHFFFAOYSA-N -1 1 415.067 4.401 20 0 HIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2)n1 ZINC000571475965 947664849 /nfs/dbraw/zinc/66/48/49/947664849.db2.gz YVQRWOIETAGUGC-UHFFFAOYSA-N -1 1 424.526 4.237 20 0 HIADMM C[C@H]1CC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000571786047 947783034 /nfs/dbraw/zinc/78/30/34/947783034.db2.gz UBLRVXNSMAWBOU-YVEFUNNKSA-N -1 1 412.433 4.035 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(-c4ccccc4)c3)cc2)CC1 ZINC000572276233 947873878 /nfs/dbraw/zinc/87/38/78/947873878.db2.gz FAXYDNIZLBMZQU-UHFFFAOYSA-N -1 1 407.491 4.359 20 0 HIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1ccc(OCc2ccccc2)cc1 ZINC000572565498 947949061 /nfs/dbraw/zinc/94/90/61/947949061.db2.gz ZDNSASPLMVSFFL-UHFFFAOYSA-N -1 1 417.437 4.430 20 0 HIADMM Cc1cccnc1-c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000572655565 947969084 /nfs/dbraw/zinc/96/90/84/947969084.db2.gz IGZXFDWOLOIESV-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000573142384 948087373 /nfs/dbraw/zinc/08/73/73/948087373.db2.gz SLZRVDSHWGUXAQ-MRVPVSSYSA-N -1 1 403.838 4.210 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000573737067 948285112 /nfs/dbraw/zinc/28/51/12/948285112.db2.gz HQSAFVKAQBXJOO-UHFFFAOYSA-N -1 1 410.923 4.272 20 0 HIADMM Cc1nc(-c2noc(-c3cc(S(=O)(=O)[N-]c4cccc(C)c4)ccc3C)n2)co1 ZINC000573762005 948291612 /nfs/dbraw/zinc/29/16/12/948291612.db2.gz ALBPWZZGMYGSIF-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM COc1ccc(-c2ocnc2C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cc1 ZINC000575355019 948652147 /nfs/dbraw/zinc/65/21/47/948652147.db2.gz NTLLEIWIMKTFBJ-UHFFFAOYSA-N -1 1 412.858 4.774 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H]3CCC(F)(F)C3)cc2)c1C ZINC000435954850 861217174 /nfs/dbraw/zinc/21/71/74/861217174.db2.gz DMECJBJTKNUMIC-MRXNPFEDSA-N -1 1 422.497 4.269 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CCC(F)(F)C2)c1 ZINC000435963519 861223917 /nfs/dbraw/zinc/22/39/17/861223917.db2.gz VELJHMIURYTTEW-MRXNPFEDSA-N -1 1 422.497 4.269 20 0 HIADMM O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000003517640 845032376 /nfs/dbraw/zinc/03/23/76/845032376.db2.gz QATNUUYEHWSQKH-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CCOc1ccccc1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005263176 845095630 /nfs/dbraw/zinc/09/56/30/845095630.db2.gz VKUUNDYQUMJPSS-UHFFFAOYSA-N -1 1 406.463 4.407 20 0 HIADMM O=C(Nc1ccccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000005969075 845154361 /nfs/dbraw/zinc/15/43/61/845154361.db2.gz KKFVSCUJMKMERE-UHFFFAOYSA-N -1 1 415.401 4.108 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3C)c2)cc1 ZINC000006178417 845181618 /nfs/dbraw/zinc/18/16/18/845181618.db2.gz FGDFXEAMBIKUNK-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000007051633 845242322 /nfs/dbraw/zinc/24/23/22/845242322.db2.gz KNWZOMKEFKWBQZ-UHFFFAOYSA-N -1 1 410.543 4.425 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1 ZINC000007055566 845242403 /nfs/dbraw/zinc/24/24/03/845242403.db2.gz LVSFJPUPEJPTBW-INIZCTEOSA-N -1 1 424.588 4.030 20 0 HIADMM COc1ccc2cc(/C=C/C(=O)OCc3cc(=O)oc4cc([O-])ccc34)ccc2c1 ZINC000007421375 845328001 /nfs/dbraw/zinc/32/80/01/845328001.db2.gz NOHAPNZPWQHXNQ-YCRREMRBSA-N -1 1 402.402 4.417 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1OCC ZINC000007940251 845451248 /nfs/dbraw/zinc/45/12/48/845451248.db2.gz QCZILVNGSYKMEW-UHFFFAOYSA-N -1 1 414.321 4.356 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccsc3)cc2)c1 ZINC000008172588 845484325 /nfs/dbraw/zinc/48/43/25/845484325.db2.gz XHIWTDLLZRTMFK-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM CCOc1ccc(C(=O)CCC(=O)OCc2cc(=O)oc3cc([O-])c(CC)cc23)cc1 ZINC000009386074 845568072 /nfs/dbraw/zinc/56/80/72/845568072.db2.gz FIDYWAJXUVFUDT-UHFFFAOYSA-N -1 1 424.449 4.166 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(OC(F)F)c1 ZINC000009903448 845602119 /nfs/dbraw/zinc/60/21/19/845602119.db2.gz OQVQPXCWAGRNII-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCCC3)cc2)ccc1F ZINC000009903137 845602232 /nfs/dbraw/zinc/60/22/32/845602232.db2.gz FMSKYXPNQQWFOM-UHFFFAOYSA-N -1 1 404.507 4.341 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCCCC3)c2)cc1F ZINC000009903151 845602278 /nfs/dbraw/zinc/60/22/78/845602278.db2.gz HSJZNYYDJUEXPF-UHFFFAOYSA-N -1 1 404.507 4.341 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCCC2)cc1 ZINC000009903138 845602348 /nfs/dbraw/zinc/60/23/48/845602348.db2.gz HHEJZGYJKJEAMJ-UHFFFAOYSA-N -1 1 404.507 4.341 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)cc1 ZINC000010323057 845646946 /nfs/dbraw/zinc/64/69/46/845646946.db2.gz HPKDOKYDZSSIJB-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)s1 ZINC000010556633 845674018 /nfs/dbraw/zinc/67/40/18/845674018.db2.gz IBFGKXVUUKKCTJ-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n1 ZINC000010555200 845674147 /nfs/dbraw/zinc/67/41/47/845674147.db2.gz RRIXXKRYMOKANZ-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCn1c2ccccc2nc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000010651954 845686763 /nfs/dbraw/zinc/68/67/63/845686763.db2.gz HDOOMFURMPYNLW-UHFFFAOYSA-N -1 1 420.494 4.109 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC000010896433 845724415 /nfs/dbraw/zinc/72/44/15/845724415.db2.gz LEJPBLFIGZGMNB-UHFFFAOYSA-N -1 1 422.514 4.220 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000010997144 845739699 /nfs/dbraw/zinc/73/96/99/845739699.db2.gz RPWZACWSLIZHLH-UHFFFAOYSA-N -1 1 418.522 4.265 20 0 HIADMM CCCc1nnc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)s1 ZINC000011190843 845764679 /nfs/dbraw/zinc/76/46/79/845764679.db2.gz VRRZFXZGRRHLMG-UHFFFAOYSA-N -1 1 414.491 4.191 20 0 HIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)n1 ZINC000011241509 845771036 /nfs/dbraw/zinc/77/10/36/845771036.db2.gz WEBSYNPCCVJBNM-ZDUSSCGKSA-N -1 1 406.577 4.438 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCOC2CCCCC2)cc1 ZINC000011356107 845783707 /nfs/dbraw/zinc/78/37/07/845783707.db2.gz BFTLTSDFMCKDSI-UHFFFAOYSA-N -1 1 402.564 4.162 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000011574150 845814527 /nfs/dbraw/zinc/81/45/27/845814527.db2.gz KZTMDAIKMKHMAL-UHFFFAOYSA-N -1 1 407.543 4.463 20 0 HIADMM CCOc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1OCC ZINC000011656223 845822140 /nfs/dbraw/zinc/82/21/40/845822140.db2.gz KCMQMQJRNDNHMU-UHFFFAOYSA-N -1 1 404.517 4.105 20 0 HIADMM Cc1cccc(OCCCNC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)c1 ZINC000012397762 845869483 /nfs/dbraw/zinc/86/94/83/845869483.db2.gz YKTWPZPPCFGIJP-UHFFFAOYSA-N -1 1 410.543 4.200 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1Cl ZINC000012970352 845900902 /nfs/dbraw/zinc/90/09/02/845900902.db2.gz HMYSLEZLDHEJBJ-UHFFFAOYSA-N -1 1 400.887 4.421 20 0 HIADMM O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2ccc3ccccc3c2)c1 ZINC000013264841 845911482 /nfs/dbraw/zinc/91/14/82/845911482.db2.gz ILXHSTNKWKDHIV-UHFFFAOYSA-N -1 1 406.257 4.101 20 0 HIADMM CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013362558 845915163 /nfs/dbraw/zinc/91/51/63/845915163.db2.gz RHBFRCHXYYUYIG-UHFFFAOYSA-N -1 1 421.368 4.132 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1F ZINC000015343907 846037212 /nfs/dbraw/zinc/03/72/12/846037212.db2.gz RLDJMNFGZMLSGK-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)/C=C/c1nc2ccccc2s1 ZINC000015469220 846051775 /nfs/dbraw/zinc/05/17/75/846051775.db2.gz FIDSPIVMRRDPRM-VAWYXSNFSA-N -1 1 420.519 4.203 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC(C)C)c2)cc1 ZINC000015499832 846054049 /nfs/dbraw/zinc/05/40/49/846054049.db2.gz DJSKCYDEKOVCRY-UHFFFAOYSA-N -1 1 424.950 4.315 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c(F)c1 ZINC000015542474 846060989 /nfs/dbraw/zinc/06/09/89/846060989.db2.gz PDWKBDWSJQSWMX-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCCC3)cc2)ccc1F ZINC000015617708 846074121 /nfs/dbraw/zinc/07/41/21/846074121.db2.gz WNQCBEOZGJQCTO-UHFFFAOYSA-N -1 1 404.507 4.388 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1F ZINC000015615840 846074259 /nfs/dbraw/zinc/07/42/59/846074259.db2.gz MHTQQLIJRCVAFR-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(F)cc1F ZINC000015744197 846088847 /nfs/dbraw/zinc/08/88/47/846088847.db2.gz RJLTUAJFQPOWJU-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM O=C(Nc1ccc(OC(F)F)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000015797648 846093276 /nfs/dbraw/zinc/09/32/76/846093276.db2.gz UMHLYKONARZBMV-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015976789 846106222 /nfs/dbraw/zinc/10/62/22/846106222.db2.gz JYIPTWQEPNJSKM-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM Cc1c2ccccc2oc1C(=O)[N-]NC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C ZINC000016063513 846118962 /nfs/dbraw/zinc/11/89/62/846118962.db2.gz VDVKULGKYFQYIH-CQSZACIVSA-N -1 1 400.862 4.240 20 0 HIADMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOc1ccc(F)cc1 ZINC000016406730 846167053 /nfs/dbraw/zinc/16/70/53/846167053.db2.gz WYJSPGGHFZNOHJ-PDGQHHTCSA-N -1 1 419.499 4.171 20 0 HIADMM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)nc1 ZINC000016494394 846178624 /nfs/dbraw/zinc/17/86/24/846178624.db2.gz USFIWFMVIHCSJJ-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)C1 ZINC000016642322 846194151 /nfs/dbraw/zinc/19/41/51/846194151.db2.gz AHBWFSCZYNBNHC-ZDUSSCGKSA-N -1 1 410.898 4.152 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1C ZINC000017167336 846235240 /nfs/dbraw/zinc/23/52/40/846235240.db2.gz CVYJRWONQDZDSV-HOTGVXAUSA-N -1 1 400.544 4.222 20 0 HIADMM Cc1sc2ncn([N-]C(=O)c3cc4c(s3)-c3ccccc3CC4)c(=O)c2c1C ZINC000017159598 846235263 /nfs/dbraw/zinc/23/52/63/846235263.db2.gz QFGYNNWJKOQTKZ-UHFFFAOYSA-N -1 1 407.520 4.286 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)cc1C ZINC000017304562 846243027 /nfs/dbraw/zinc/24/30/27/846243027.db2.gz APMDFVWBSPQMNW-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3cccs3)c2)c1 ZINC000017909684 846276014 /nfs/dbraw/zinc/27/60/14/846276014.db2.gz FFKOGUXTGCWMGO-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3cccs3)ccc2C)c1 ZINC000017909777 846276273 /nfs/dbraw/zinc/27/62/73/846276273.db2.gz XIIVURKKBOSGJL-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCCc1ccc(C(F)(F)F)cc1 ZINC000017918960 846277196 /nfs/dbraw/zinc/27/71/96/846277196.db2.gz CJXUJGUNORABMM-UHFFFAOYSA-N -1 1 412.462 4.047 20 0 HIADMM O=C(NCCc1cccc(Cl)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000018106258 846296239 /nfs/dbraw/zinc/29/62/39/846296239.db2.gz LBGHANNFZQHJLI-UHFFFAOYSA-N -1 1 414.914 4.113 20 0 HIADMM O=C(N[C@@H]1CCSc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000018134529 846301010 /nfs/dbraw/zinc/30/10/10/846301010.db2.gz VLRPMQZQZUWZNJ-HXUWFJFHSA-N -1 1 424.547 4.454 20 0 HIADMM Cc1ccc(NC(=O)c2ccccc2N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000019675441 846371215 /nfs/dbraw/zinc/37/12/15/846371215.db2.gz MTRWVGCLOPRQQW-UHFFFAOYSA-N -1 1 415.902 4.284 20 0 HIADMM CCc1noc(C)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000020895635 846393343 /nfs/dbraw/zinc/39/33/43/846393343.db2.gz OXTARQIKVUSHPE-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3ccccc3C(F)(F)F)s2)cc1 ZINC000021864122 846504849 /nfs/dbraw/zinc/50/48/49/846504849.db2.gz KAWIKOIKQOPWIP-HNNXBMFYSA-N -1 1 423.416 4.153 20 0 HIADMM Cc1ccc(O[C@H](C)C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000022035977 846523730 /nfs/dbraw/zinc/52/37/30/846523730.db2.gz HLQFIZDEJFCLLY-OAHLLOKOSA-N -1 1 420.490 4.471 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000022192267 846543933 /nfs/dbraw/zinc/54/39/33/846543933.db2.gz HXHVDIOHEFOZNS-UHFFFAOYSA-N -1 1 400.331 4.111 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccnn3C(C)C)c2)c1 ZINC000022289981 846554602 /nfs/dbraw/zinc/55/46/02/846554602.db2.gz RUZFSLGDIFNNBN-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccsc1 ZINC000022628373 846596015 /nfs/dbraw/zinc/59/60/15/846596015.db2.gz DDFUJEBKFIFRNT-UHFFFAOYSA-N -1 1 422.915 4.463 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC3CC3)c2)cc1Cl ZINC000022971939 846641034 /nfs/dbraw/zinc/64/10/34/846641034.db2.gz SBTBLRRGBJLUAX-UHFFFAOYSA-N -1 1 413.326 4.242 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@H](C)C#N)c2)cc1 ZINC000023416924 846698736 /nfs/dbraw/zinc/69/87/36/846698736.db2.gz HCPAYTLEHORHNJ-MRXNPFEDSA-N -1 1 400.500 4.207 20 0 HIADMM CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000023623313 846731929 /nfs/dbraw/zinc/73/19/29/846731929.db2.gz JVOKWMYUAPSOJX-UHFFFAOYSA-N -1 1 410.495 4.311 20 0 HIADMM CC[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000023748707 846745652 /nfs/dbraw/zinc/74/56/52/846745652.db2.gz MWBKFHIOGCWEKU-SFHVURJKSA-N -1 1 408.523 4.411 20 0 HIADMM Cc1ccc(-c2nnc3n2CCCCC3)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000024434151 846822970 /nfs/dbraw/zinc/82/29/70/846822970.db2.gz JUUJVQWYVJHHPP-UHFFFAOYSA-N -1 1 422.554 4.269 20 0 HIADMM O=C(NCc1ccc(Cl)s1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000025524464 846992321 /nfs/dbraw/zinc/99/23/21/846992321.db2.gz YBXDDDPOVYVBIN-UHFFFAOYSA-N -1 1 406.916 4.132 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nc(C4CC4)cs3)c2)cc1 ZINC000025562105 847002547 /nfs/dbraw/zinc/00/25/47/847002547.db2.gz BGIFSVVYNWTFBQ-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000026318509 847124711 /nfs/dbraw/zinc/12/47/11/847124711.db2.gz FDQPTJAMWPATHV-UHFFFAOYSA-N -1 1 414.321 4.138 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc4c[nH]nc43)cc2)ccc1F ZINC000026871279 847211970 /nfs/dbraw/zinc/21/19/70/847211970.db2.gz IWYMCUPARFBMJE-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OCC(F)(F)F)c2)c1 ZINC000027075936 847244734 /nfs/dbraw/zinc/24/47/34/847244734.db2.gz OAQDTGRMBGOZIB-UHFFFAOYSA-N -1 1 422.432 4.496 20 0 HIADMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1OC ZINC000027128267 847252189 /nfs/dbraw/zinc/25/21/89/847252189.db2.gz ZRVYBMKDGYSZLE-OAQYLSRUSA-N -1 1 424.522 4.377 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)C(C)C)cc2)cc1 ZINC000027232323 847269757 /nfs/dbraw/zinc/26/97/57/847269757.db2.gz IOAQWUFZYMTFNE-INIZCTEOSA-N -1 1 404.532 4.003 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c(Br)c1 ZINC000028246943 847398552 /nfs/dbraw/zinc/39/85/52/847398552.db2.gz RLBLBLISGQCQFG-UHFFFAOYSA-N -1 1 409.349 4.467 20 0 HIADMM CC[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000028490690 847426675 /nfs/dbraw/zinc/42/66/75/847426675.db2.gz JNUFYZRHYKVWSL-GOSISDBHSA-N -1 1 404.507 4.340 20 0 HIADMM CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1 ZINC000028493684 847427959 /nfs/dbraw/zinc/42/79/59/847427959.db2.gz XGHQLUHSENIKMN-UHFFFAOYSA-N -1 1 424.522 4.206 20 0 HIADMM CCCN(CC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000028641100 847439217 /nfs/dbraw/zinc/43/92/17/847439217.db2.gz QEZBJZDAFNZYEE-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cn1c(=O)c2cc(-c3ccccc3)sc2nc1SCC(=O)c1ccc([O-])cc1O ZINC000028628878 847439314 /nfs/dbraw/zinc/43/93/14/847439314.db2.gz ZWJZOKCBLZHEHU-UHFFFAOYSA-N -1 1 424.503 4.048 20 0 HIADMM CCC(CC)c1nnc([N-]C(=O)c2occc2CS(=O)(=O)c2ccccc2)s1 ZINC000028695296 847449205 /nfs/dbraw/zinc/44/92/05/847449205.db2.gz IYYXNKOUAFLCSQ-UHFFFAOYSA-N -1 1 419.528 4.261 20 0 HIADMM Cc1ccc(C(=O)Nc2ccccc2O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000028814192 847464966 /nfs/dbraw/zinc/46/49/66/847464966.db2.gz XZFDHEOPPOLMRS-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000028976712 847486732 /nfs/dbraw/zinc/48/67/32/847486732.db2.gz FZKKKEHDIKODGA-HOTGVXAUSA-N -1 1 400.544 4.222 20 0 HIADMM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000029287606 847539752 /nfs/dbraw/zinc/53/97/52/847539752.db2.gz COUMALAJRRHHQH-UXHICEINSA-N -1 1 415.559 4.217 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCC1CCCC1 ZINC000029343897 847548923 /nfs/dbraw/zinc/54/89/23/847548923.db2.gz RANKILGVBYGVKB-UHFFFAOYSA-N -1 1 404.507 4.245 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCC[C@H](C)C3)cc2)cc1 ZINC000030001004 847667201 /nfs/dbraw/zinc/66/72/01/847667201.db2.gz ZEPRNJJKHFBONU-LPHOPBHVSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000030000999 847667352 /nfs/dbraw/zinc/66/73/52/847667352.db2.gz WUGMFCIFKJKDIW-APWZRJJASA-N -1 1 400.544 4.447 20 0 HIADMM C[C@H]1CCC[C@H](N(C)C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000030001010 847667469 /nfs/dbraw/zinc/66/74/69/847667469.db2.gz HBZFDEKHRBVZJA-JXFKEZNVSA-N -1 1 418.534 4.206 20 0 HIADMM C[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030011812 847670198 /nfs/dbraw/zinc/67/01/98/847670198.db2.gz FKEIACLQRZZKHL-HNNXBMFYSA-N -1 1 410.470 4.218 20 0 HIADMM CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000030012881 847670245 /nfs/dbraw/zinc/67/02/45/847670245.db2.gz QNMXRSHGEBLJEI-UHFFFAOYSA-N -1 1 408.523 4.458 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc2)c1C ZINC000030016597 847671332 /nfs/dbraw/zinc/67/13/32/847671332.db2.gz NDBPDOFDGXEISO-HNAYVOBHSA-N -1 1 400.544 4.413 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000030038858 847676335 /nfs/dbraw/zinc/67/63/35/847676335.db2.gz MOJDRIPXNBRTRY-UHFFFAOYSA-N -1 1 410.401 4.053 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)c1C ZINC000436474878 861818086 /nfs/dbraw/zinc/81/80/86/861818086.db2.gz FENPIBFTWUFQNX-UHFFFAOYSA-N -1 1 416.421 4.259 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCn4cccc4[C@@H]3C)cc2)cc1C ZINC000030266301 847693632 /nfs/dbraw/zinc/69/36/32/847693632.db2.gz ZHMMAKRFLYITPQ-SFHVURJKSA-N -1 1 423.538 4.123 20 0 HIADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3O)cc2)n[nH]1 ZINC000436479738 861819066 /nfs/dbraw/zinc/81/90/66/861819066.db2.gz XMDKAPLOJJGAJA-UHFFFAOYSA-N -1 1 413.377 4.036 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000436484092 861820192 /nfs/dbraw/zinc/82/01/92/861820192.db2.gz DMOQUFGLEMHIID-UHFFFAOYSA-N -1 1 400.276 4.051 20 0 HIADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000030381940 847710023 /nfs/dbraw/zinc/71/00/23/847710023.db2.gz UHAIENYRXHARIO-VBKZILBWSA-N -1 1 422.497 4.416 20 0 HIADMM C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])[C@H]1CCOC1 ZINC000436487586 861821216 /nfs/dbraw/zinc/82/12/16/861821216.db2.gz JZFAXAQLRBUZSL-AAEUAGOBSA-N -1 1 423.296 4.106 20 0 HIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000030530898 847729400 /nfs/dbraw/zinc/72/94/00/847729400.db2.gz COXVAEMSIHIUOB-UHFFFAOYSA-N -1 1 400.544 4.312 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c1 ZINC000436513939 861831277 /nfs/dbraw/zinc/83/12/77/861831277.db2.gz NWUGWTTXLXLMLD-UHFFFAOYSA-N -1 1 416.886 4.061 20 0 HIADMM Cc1ccc(C(=O)NC(C2CC2)C2CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000030651419 847752281 /nfs/dbraw/zinc/75/22/81/847752281.db2.gz DCKFBPYWXLSAMM-UHFFFAOYSA-N -1 1 418.946 4.368 20 0 HIADMM CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1[O-] ZINC000436508907 861830221 /nfs/dbraw/zinc/83/02/21/861830221.db2.gz BJNBQAKIMHAERX-UHFFFAOYSA-N -1 1 415.704 4.131 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)c1 ZINC000436513080 861831133 /nfs/dbraw/zinc/83/11/33/861831133.db2.gz ZQCZYIDVZYTZIN-HUUCEWRRSA-N -1 1 408.479 4.477 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC)CC(C)C)c2)cc1 ZINC000031377096 847871045 /nfs/dbraw/zinc/87/10/45/847871045.db2.gz KCDMTDRUGYIMMA-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436535645 861840297 /nfs/dbraw/zinc/84/02/97/861840297.db2.gz AXZDFIPKHZXPRF-ZDUSSCGKSA-N -1 1 411.408 4.151 20 0 HIADMM CCCNC(=O)c1ccc(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1Cl ZINC000436537763 861841465 /nfs/dbraw/zinc/84/14/65/861841465.db2.gz UFEFDYFEICSIGD-UHFFFAOYSA-N -1 1 411.285 4.490 20 0 HIADMM CC[C@H](C(=O)N1CCC(NC(=O)c2cc3ccccc3cc2[O-])CC1)c1ccccc1 ZINC000436537101 861841554 /nfs/dbraw/zinc/84/15/54/861841554.db2.gz FPPJKMWSAANPSO-QFIPXVFZSA-N -1 1 416.521 4.460 20 0 HIADMM O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(Br)cc1[O-] ZINC000436540756 861842255 /nfs/dbraw/zinc/84/22/55/861842255.db2.gz QOBOESCABQOGLC-INIZCTEOSA-N -1 1 402.248 4.135 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(-n3cc[nH]c3=S)c2)c1 ZINC000031564422 847909041 /nfs/dbraw/zinc/90/90/41/847909041.db2.gz XAXJNOOCFTUIKZ-UHFFFAOYSA-N -1 1 422.539 4.403 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)C(C)C)cc2)cc1 ZINC000031716342 847937151 /nfs/dbraw/zinc/93/71/51/847937151.db2.gz IUYNYQGKZBLIHP-MRXNPFEDSA-N -1 1 404.532 4.003 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000031722414 847937966 /nfs/dbraw/zinc/93/79/66/847937966.db2.gz LGZONNIMTYSCTF-UHFFFAOYSA-N -1 1 401.797 4.345 20 0 HIADMM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(Cl)cn1 ZINC000436549663 861846366 /nfs/dbraw/zinc/84/63/66/861846366.db2.gz UYYGPSUYRDZZLT-VLIAUNLRSA-N -1 1 423.900 4.076 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2)cc1 ZINC000031939527 847967739 /nfs/dbraw/zinc/96/77/39/847967739.db2.gz ZTNRUDQWRNLFLJ-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc(C(C)C)cc2[O-])cc1OC ZINC000436562390 861852123 /nfs/dbraw/zinc/85/21/23/861852123.db2.gz AGOUAFAGSWJGCC-UHFFFAOYSA-N -1 1 409.486 4.338 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3N3CCc4ccccc43)cc2o1 ZINC000032086554 847986902 /nfs/dbraw/zinc/98/69/02/847986902.db2.gz AGTFBDMPQPHBIT-UHFFFAOYSA-N -1 1 407.451 4.028 20 0 HIADMM CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cc2ccccc2cc1[O-] ZINC000436563229 861853492 /nfs/dbraw/zinc/85/34/92/861853492.db2.gz OQCVQACOACJPAI-UHFFFAOYSA-N -1 1 401.365 4.148 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3C3CCC3)c([O-])c2)c1 ZINC000436570516 861855959 /nfs/dbraw/zinc/85/59/59/861855959.db2.gz REHQRTYEXPBFBT-OAQYLSRUSA-N -1 1 424.497 4.066 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3C[C@H]3C)c2)cc1C ZINC000032394055 848017857 /nfs/dbraw/zinc/01/78/57/848017857.db2.gz LYUXYBPSHDKCFU-HUUCEWRRSA-N -1 1 406.935 4.143 20 0 HIADMM C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c2ccccc21 ZINC000436573491 861857026 /nfs/dbraw/zinc/85/70/26/861857026.db2.gz IFMABKGTIYUSPB-KSFYIVLOSA-N -1 1 400.478 4.300 20 0 HIADMM CCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c1C ZINC000436583373 861859361 /nfs/dbraw/zinc/85/93/61/861859361.db2.gz JQJJIXONGNSBIC-UHFFFAOYSA-N -1 1 414.412 4.008 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)cc1OC ZINC000032586152 848050139 /nfs/dbraw/zinc/05/01/39/848050139.db2.gz CKSYQJBNYKRIGF-UHFFFAOYSA-N -1 1 401.484 4.445 20 0 HIADMM CCc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436584289 861859562 /nfs/dbraw/zinc/85/95/62/861859562.db2.gz LOKUAQYPJKLLHU-HSZRJFAPSA-N -1 1 416.521 4.371 20 0 HIADMM Cc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436583597 861859760 /nfs/dbraw/zinc/85/97/60/861859760.db2.gz OGZGUAUGUVGXPS-JOCHJYFZSA-N -1 1 402.494 4.117 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)N3CCCC3)c2)cc1 ZINC000032628698 848055598 /nfs/dbraw/zinc/05/55/98/848055598.db2.gz QZKCGPPXINAYDK-KRWDZBQOSA-N -1 1 416.543 4.002 20 0 HIADMM Cc1cc(C)c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000436584905 861860691 /nfs/dbraw/zinc/86/06/91/861860691.db2.gz QYWHOVSXKBXWLF-QHCPKHFHSA-N -1 1 416.521 4.392 20 0 HIADMM O=C(N[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1)c1ccc2ccccc2c1 ZINC000436587646 861860788 /nfs/dbraw/zinc/86/07/88/861860788.db2.gz PWHWTUAKYDCARC-IBGZPJMESA-N -1 1 408.885 4.233 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c(C)c1O ZINC000436590121 861861418 /nfs/dbraw/zinc/86/14/18/861861418.db2.gz RHKHPQDVIOAHAK-UHFFFAOYSA-N -1 1 412.392 4.497 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCCCCC2)c([O-])c1)c1cccc(Br)c1 ZINC000032743832 848070733 /nfs/dbraw/zinc/07/07/33/848070733.db2.gz YRPWYLFLGBSESX-UHFFFAOYSA-N -1 1 417.303 4.423 20 0 HIADMM CCOc1cc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCCO5)cc3[n-]2)ccc1O ZINC000436596708 861863425 /nfs/dbraw/zinc/86/34/25/861863425.db2.gz QYLMUYASXHSJBM-UHFFFAOYSA-N -1 1 422.462 4.194 20 0 HIADMM O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436600356 861864091 /nfs/dbraw/zinc/86/40/91/861864091.db2.gz GYOOQKAQGRLBBH-SFHVURJKSA-N -1 1 407.495 4.123 20 0 HIADMM CCc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436602276 861865783 /nfs/dbraw/zinc/86/57/83/861865783.db2.gz KZLAIBVKPZWQBB-FQEVSTJZSA-N -1 1 408.523 4.090 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N(CCO)Cc1ccc(Br)s1 ZINC000436603807 861866043 /nfs/dbraw/zinc/86/60/43/861866043.db2.gz IFYNKRWPJWQHOQ-UHFFFAOYSA-N -1 1 406.301 4.004 20 0 HIADMM CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436604313 861866496 /nfs/dbraw/zinc/86/64/96/861866496.db2.gz NVDZMFZEETUMRU-OFNKIYASSA-N -1 1 416.521 4.288 20 0 HIADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000033098035 848108866 /nfs/dbraw/zinc/10/88/66/848108866.db2.gz OKVOJWJTIQPWPN-WMLDXEAASA-N -1 1 422.497 4.416 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cc2ccccc2)o1 ZINC000033148971 848114312 /nfs/dbraw/zinc/11/43/12/848114312.db2.gz MHIHDMCIYZBXHP-UHFFFAOYSA-N -1 1 412.511 4.200 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)c(Cl)c1 ZINC000033156891 848115456 /nfs/dbraw/zinc/11/54/56/848115456.db2.gz UKKQQMRDKOFGEA-SNVBAGLBSA-N -1 1 419.330 4.154 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[C@H](C)C3)cc2)cc1 ZINC000033181927 848120643 /nfs/dbraw/zinc/12/06/43/848120643.db2.gz WRSJVIMWTAEGAC-LPHOPBHVSA-N -1 1 416.543 4.195 20 0 HIADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033233339 848130527 /nfs/dbraw/zinc/13/05/27/848130527.db2.gz DRRARJYNSWRFPL-MRXNPFEDSA-N -1 1 412.486 4.460 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc(OC)c1OC ZINC000035064568 848142603 /nfs/dbraw/zinc/14/26/03/848142603.db2.gz OEKJFVOWOIPLBV-UHFFFAOYSA-N -1 1 413.451 4.413 20 0 HIADMM Cc1ccccc1C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436618460 861871952 /nfs/dbraw/zinc/87/19/52/861871952.db2.gz NYPPQPJPENBBSW-MBSDFSHPSA-N -1 1 416.521 4.206 20 0 HIADMM CC(C)COCCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000040419793 848198225 /nfs/dbraw/zinc/19/82/25/848198225.db2.gz LQSNGQMHCDQTAA-UHFFFAOYSA-N -1 1 419.168 4.097 20 0 HIADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436662997 861886416 /nfs/dbraw/zinc/88/64/16/861886416.db2.gz HTGXWSHPYDLGMC-UHFFFAOYSA-N -1 1 422.338 4.144 20 0 HIADMM O=C(NCc1coc2ccccc12)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436677571 861891539 /nfs/dbraw/zinc/89/15/39/861891539.db2.gz XTJBLIKQHTULSZ-OAQYLSRUSA-N -1 1 414.461 4.213 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CC=C(c2ccccc2)C1 ZINC000436680339 861892461 /nfs/dbraw/zinc/89/24/61/861892461.db2.gz NGEXCNZFNZFKTB-QHCPKHFHSA-N -1 1 412.489 4.076 20 0 HIADMM Cc1cc(=O)[nH]c2cc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)ccc12 ZINC000436704666 861897469 /nfs/dbraw/zinc/89/74/69/861897469.db2.gz HWJKYWITKRKBCT-UHFFFAOYSA-N -1 1 419.481 4.269 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCC=C(c2ccco2)C1 ZINC000436714794 861903278 /nfs/dbraw/zinc/90/32/78/861903278.db2.gz VEXZITOFCOZULR-NRFANRHFSA-N -1 1 416.477 4.059 20 0 HIADMM CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1c(C)noc1C ZINC000436722138 861908660 /nfs/dbraw/zinc/90/86/60/861908660.db2.gz JTIUIYVKSMCUAR-VQTJNVASSA-N -1 1 421.497 4.022 20 0 HIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1csc(COc2ccc(F)cc2)n1 ZINC000044022633 848502710 /nfs/dbraw/zinc/50/27/10/848502710.db2.gz QSHCKTMKYLFSQQ-UHFFFAOYSA-N -1 1 402.432 4.225 20 0 HIADMM Cc1cc(F)ccc1CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436728063 861914512 /nfs/dbraw/zinc/91/45/12/861914512.db2.gz HINWULIPSFAAPK-QFIPXVFZSA-N -1 1 420.484 4.256 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3cc(C)c(CC)s3)n2)n[n-]c1=S ZINC000044543548 848568412 /nfs/dbraw/zinc/56/84/12/848568412.db2.gz MDSKAOURYOUPEL-UHFFFAOYSA-N -1 1 405.574 4.359 20 0 HIADMM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801520 848605879 /nfs/dbraw/zinc/60/58/79/848605879.db2.gz FRPJNNAGHOLHIO-LSDHHAIUSA-N -1 1 419.547 4.019 20 0 HIADMM O=C(COC1CCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000044842511 848609787 /nfs/dbraw/zinc/60/97/87/848609787.db2.gz DMOATQFXILLCDQ-UHFFFAOYSA-N -1 1 408.907 4.039 20 0 HIADMM CCN(Cc1ccc(OC)cc1)C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000045398493 848674430 /nfs/dbraw/zinc/67/44/30/848674430.db2.gz LLJDEEZCBCGYLU-UHFFFAOYSA-N -1 1 416.934 4.318 20 0 HIADMM CCCN(Cc1ccc(C#N)cc1)C(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000045404388 848676085 /nfs/dbraw/zinc/67/60/85/848676085.db2.gz MZWRFRQXXITAQS-UHFFFAOYSA-N -1 1 411.556 4.370 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000045521405 848688626 /nfs/dbraw/zinc/68/86/26/848688626.db2.gz HLQMHKJXFGEEOM-UHFFFAOYSA-N -1 1 418.404 4.244 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1 ZINC000045788045 848728883 /nfs/dbraw/zinc/72/88/83/848728883.db2.gz FCSVUYCBONWVLV-JOCHJYFZSA-N -1 1 406.507 4.383 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC[C@@H]1c1ccccc1 ZINC000045853123 848740605 /nfs/dbraw/zinc/74/06/05/848740605.db2.gz BJHPIYDAROUXRM-OAQYLSRUSA-N -1 1 410.470 4.214 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1c[nH]cc1-c1ccccc1 ZINC000045876671 848745481 /nfs/dbraw/zinc/74/54/81/848745481.db2.gz IXQAWTHOFCRISA-UHFFFAOYSA-N -1 1 402.479 4.188 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000436757168 861944601 /nfs/dbraw/zinc/94/46/01/861944601.db2.gz HDHTYLNZPRYJGV-MRXNPFEDSA-N -1 1 402.372 4.253 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2ccccc2n1 ZINC000046587954 848880014 /nfs/dbraw/zinc/88/00/14/848880014.db2.gz GTUHLJIJAWBFCC-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM O=C(CSc1ccc(F)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588388 848880548 /nfs/dbraw/zinc/88/05/48/848880548.db2.gz MYFRHVLOEGSNAC-UHFFFAOYSA-N -1 1 416.499 4.357 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(OC(F)F)cc1 ZINC000046588292 848880822 /nfs/dbraw/zinc/88/08/22/848880822.db2.gz IVZWZCYPLSJULD-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM N#Cc1ccccc1/C=C/C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588566 848880904 /nfs/dbraw/zinc/88/09/04/848880904.db2.gz MKKFPDMUXBSUHQ-BUHFOSPRSA-N -1 1 403.463 4.011 20 0 HIADMM CCc1cccc(OCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000046611763 848886251 /nfs/dbraw/zinc/88/62/51/848886251.db2.gz AJZGDMVUVQYYSL-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436764554 861955078 /nfs/dbraw/zinc/95/50/78/861955078.db2.gz SATADBRAMOXFAO-HNNXBMFYSA-N -1 1 403.404 4.374 20 0 HIADMM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436764530 861955196 /nfs/dbraw/zinc/95/51/96/861955196.db2.gz RQPUPXSEOKFYRK-QGZVFWFLSA-N -1 1 409.404 4.241 20 0 HIADMM CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCC4)cc(Br)c1[O-] ZINC000046702722 848914213 /nfs/dbraw/zinc/91/42/13/848914213.db2.gz KYSWQWYEQINYMC-UHFFFAOYSA-N -1 1 407.289 4.007 20 0 HIADMM N#C[C@@H](C(=O)CCc1ccccc1Cl)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707288 848914915 /nfs/dbraw/zinc/91/49/15/848914915.db2.gz FOPIAIIJCKCDDK-AWEZNQCLSA-N -1 1 411.914 4.326 20 0 HIADMM CCOc1cc(-c2noc(Cc3csc(CC)n3)n2)cc(Br)c1[O-] ZINC000436769497 861959350 /nfs/dbraw/zinc/95/93/50/861959350.db2.gz LYKLJNLBLACRBE-UHFFFAOYSA-N -1 1 410.293 4.213 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2CCCOCC2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436768331 861960449 /nfs/dbraw/zinc/96/04/49/861960449.db2.gz IVUPIVVKTWQRRJ-CYBMUJFWSA-N -1 1 423.296 4.250 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccc(O)cc4)no3)c2)cc1 ZINC000436771169 861964284 /nfs/dbraw/zinc/96/42/84/861964284.db2.gz YATNVFYVBIJDEU-UHFFFAOYSA-N -1 1 407.451 4.218 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccc(O)cc3)no2)cc1)c1ccc(F)cc1 ZINC000436771225 861964388 /nfs/dbraw/zinc/96/43/88/861964388.db2.gz YPIICVRGHMBEKP-UHFFFAOYSA-N -1 1 411.414 4.049 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000047074012 848981454 /nfs/dbraw/zinc/98/14/54/848981454.db2.gz WEWRYXCSYJHKPL-UHFFFAOYSA-N -1 1 406.251 4.029 20 0 HIADMM C[C@@H](Cc1ccccc1Cl)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047116703 848986329 /nfs/dbraw/zinc/98/63/29/848986329.db2.gz UGUBNISSXGPNOS-HNNXBMFYSA-N -1 1 400.906 4.281 20 0 HIADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000047292570 849021042 /nfs/dbraw/zinc/02/10/42/849021042.db2.gz HRAOZLXIUUWJNT-INIZCTEOSA-N -1 1 409.873 4.085 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000047327535 849027086 /nfs/dbraw/zinc/02/70/86/849027086.db2.gz CBZZBKPKNZJOCS-UHFFFAOYSA-N -1 1 412.449 4.114 20 0 HIADMM N#C[C@H](C(=O)CCn1ccc2ccccc21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047361992 849032399 /nfs/dbraw/zinc/03/23/99/849032399.db2.gz YWPLRUWMWZUMKG-MRXNPFEDSA-N -1 1 416.506 4.085 20 0 HIADMM CCc1nc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)sc1C ZINC000047424893 849045442 /nfs/dbraw/zinc/04/54/42/849045442.db2.gz BTAJRGOKEDWFPX-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C)c1 ZINC000436787094 861979894 /nfs/dbraw/zinc/97/98/94/861979894.db2.gz ZYVSLXWCINGEJK-GASCZTMLSA-N -1 1 423.513 4.029 20 0 HIADMM COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000436787326 861980129 /nfs/dbraw/zinc/98/01/29/861980129.db2.gz VEPFIRDCMWKNKE-UHFFFAOYSA-N -1 1 414.845 4.180 20 0 HIADMM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])c2)n1 ZINC000436788989 861982698 /nfs/dbraw/zinc/98/26/98/861982698.db2.gz AQXVGNWXTWLMMG-UHFFFAOYSA-N -1 1 403.360 4.388 20 0 HIADMM O=C(NCc1cccnc1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000048080985 849161523 /nfs/dbraw/zinc/16/15/23/849161523.db2.gz ZQMBDJWTYLONAN-UHFFFAOYSA-N -1 1 416.264 4.276 20 0 HIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436793477 861987598 /nfs/dbraw/zinc/98/75/98/861987598.db2.gz RLHGZYHBDHVYOG-UHFFFAOYSA-N -1 1 420.309 4.264 20 0 HIADMM Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3[O-])c12 ZINC000436815194 861999007 /nfs/dbraw/zinc/99/90/07/861999007.db2.gz VECCCVJKTIKWGQ-UHFFFAOYSA-N -1 1 403.417 4.098 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c(OC(C)C)c2)c1 ZINC000436815313 861999351 /nfs/dbraw/zinc/99/93/51/861999351.db2.gz KYOOUFDIOFMWEP-UHFFFAOYSA-N -1 1 409.442 4.289 20 0 HIADMM CN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)cc1[O-] ZINC000049446564 849310106 /nfs/dbraw/zinc/31/01/06/849310106.db2.gz MIBQMETYVKDLRF-UHFFFAOYSA-N -1 1 405.111 4.251 20 0 HIADMM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436830212 862009190 /nfs/dbraw/zinc/00/91/90/862009190.db2.gz QCOFPCCZMQFJRR-UHFFFAOYSA-N -1 1 418.209 4.368 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc2ccccc2c1 ZINC000050380487 849377231 /nfs/dbraw/zinc/37/72/31/849377231.db2.gz JSODTSQBJJKVQC-UHFFFAOYSA-N -1 1 400.500 4.176 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1 ZINC000050534286 849392136 /nfs/dbraw/zinc/39/21/36/849392136.db2.gz LWZNOWMHWHPVSK-UHFFFAOYSA-N -1 1 400.544 4.297 20 0 HIADMM CCN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])[C@@H]1CCOC1 ZINC000436835027 862014553 /nfs/dbraw/zinc/01/45/53/862014553.db2.gz SJNFSJVSEHRIQW-CQSZACIVSA-N -1 1 423.296 4.202 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C)C[C@@H]3CC=CCC3)c([O-])c2)c1 ZINC000436839528 862016818 /nfs/dbraw/zinc/01/68/18/862016818.db2.gz PXONZNILRNAMCN-MRXNPFEDSA-N -1 1 424.497 4.090 20 0 HIADMM CCc1cc2c(CNc3cccc(CN4CCCCC4=O)c3)cc(=O)oc2cc1[O-] ZINC000051165077 849439023 /nfs/dbraw/zinc/43/90/23/849439023.db2.gz GLMLWCZPTUEYKM-UHFFFAOYSA-N -1 1 406.482 4.186 20 0 HIADMM O=C(Nc1nc2ccsc2s1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436854297 862033480 /nfs/dbraw/zinc/03/34/80/862033480.db2.gz GOZKYDMMYWYGRT-MRXNPFEDSA-N -1 1 423.519 4.460 20 0 HIADMM CCOc1cc(-c2noc(-c3nnn(CC4CCCC4)c3C)n2)cc(Cl)c1[O-] ZINC000436871245 862048083 /nfs/dbraw/zinc/04/80/83/862048083.db2.gz JMQMUULGYJGOKS-UHFFFAOYSA-N -1 1 403.870 4.251 20 0 HIADMM [O-]c1ccc(-c2noc([C@H]3CCO[C@@H]3c3cnn(-c4ccccc4F)c3)n2)cc1F ZINC000436873972 862050038 /nfs/dbraw/zinc/05/00/38/862050038.db2.gz OTZVHBIUIYUYTJ-IFXJQAMLSA-N -1 1 410.380 4.151 20 0 HIADMM COc1cc(-c2noc(-c3ccc4nc(C)n(C)c4c3)n2)cc(Br)c1[O-] ZINC000436874452 862050572 /nfs/dbraw/zinc/05/05/72/862050572.db2.gz QOXPILZTCPHCSF-UHFFFAOYSA-N -1 1 415.247 4.075 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)C1CCCC1 ZINC000053643564 849741987 /nfs/dbraw/zinc/74/19/87/849741987.db2.gz LFHAEBGACDKLTA-UHFFFAOYSA-N -1 1 410.898 4.295 20 0 HIADMM CCOc1cc(-c2noc(-c3ncoc3[C@H]3CCCO3)n2)cc(Br)c1[O-] ZINC000436874812 862052057 /nfs/dbraw/zinc/05/20/57/862052057.db2.gz VWHZBDDIVLSXNR-LLVKDONJSA-N -1 1 422.235 4.110 20 0 HIADMM CCOc1cc(-c2noc(C3CCC(NC(=O)C4CC4)CC3)n2)cc(Cl)c1[O-] ZINC000436875833 862052173 /nfs/dbraw/zinc/05/21/73/862052173.db2.gz FRFMQNRKZSCCPU-UHFFFAOYSA-N -1 1 405.882 4.047 20 0 HIADMM CCCOc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(OCCCOC)c1 ZINC000436880174 862058844 /nfs/dbraw/zinc/05/88/44/862058844.db2.gz PSVFYLKWTOIHHP-UHFFFAOYSA-N -1 1 402.422 4.452 20 0 HIADMM CCOc1cc(-c2noc(-c3ncoc3[C@@H]3CCCO3)n2)cc(Br)c1[O-] ZINC000436874814 862053137 /nfs/dbraw/zinc/05/31/37/862053137.db2.gz VWHZBDDIVLSXNR-NSHDSACASA-N -1 1 422.235 4.110 20 0 HIADMM COc1cc(-c2noc(-c3ccc4oc(C)nc4c3)n2)cc(Br)c1[O-] ZINC000436878153 862054576 /nfs/dbraw/zinc/05/45/76/862054576.db2.gz IRWCUDWWLQAIRL-UHFFFAOYSA-N -1 1 402.204 4.330 20 0 HIADMM COc1ccc2[nH]c(-c3nc(-c4cc(Br)c([O-])c(OC)c4)no3)cc2c1 ZINC000436879337 862056484 /nfs/dbraw/zinc/05/64/84/862056484.db2.gz MEMSSPKFYLOPPK-UHFFFAOYSA-N -1 1 416.231 4.370 20 0 HIADMM CC(C)Oc1ccc(N(C)C(=O)c2cc(I)ccc2[O-])cc1 ZINC000436878368 862056972 /nfs/dbraw/zinc/05/69/72/862056972.db2.gz BVXYRUVMZQILHT-UHFFFAOYSA-N -1 1 411.239 4.061 20 0 HIADMM COc1cc(-c2noc(CCc3ncc(C(C)(C)C)o3)n2)cc(Br)c1[O-] ZINC000436880253 862059586 /nfs/dbraw/zinc/05/95/86/862059586.db2.gz QLIYDZXONOKSJC-UHFFFAOYSA-N -1 1 422.279 4.284 20 0 HIADMM CCOc1cc(-c2nc([C@@H](CC)NC(=O)c3ccccc3)no2)cc(Cl)c1[O-] ZINC000436880337 862059842 /nfs/dbraw/zinc/05/98/42/862059842.db2.gz JCRQXQPSXMQJHQ-OAHLLOKOSA-N -1 1 401.850 4.375 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(F)c(OC)c3)n2)cc(Br)c1[O-] ZINC000436884409 862061853 /nfs/dbraw/zinc/06/18/53/862061853.db2.gz BYOOGZVLOPZGDY-UHFFFAOYSA-N -1 1 409.211 4.418 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1 ZINC000054293511 849840999 /nfs/dbraw/zinc/84/09/99/849840999.db2.gz JPRGOQXWAAUZMO-UHFFFAOYSA-N -1 1 415.311 4.413 20 0 HIADMM COc1ccc(-c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)cn1 ZINC000436890529 862067714 /nfs/dbraw/zinc/06/77/14/862067714.db2.gz ULQLSIDOGUXMRX-UHFFFAOYSA-N -1 1 424.363 4.043 20 0 HIADMM Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C)cc(Br)c3[O-])c12 ZINC000436892220 862068431 /nfs/dbraw/zinc/06/84/31/862068431.db2.gz IXVTWCSAGXCQNP-UHFFFAOYSA-N -1 1 402.248 4.437 20 0 HIADMM Cc1cccc([C@@H](C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436904611 862081037 /nfs/dbraw/zinc/08/10/37/862081037.db2.gz YXVUZLJYODCFTJ-MBSDFSHPSA-N -1 1 416.521 4.378 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCc3ccccc3C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000055093015 849968444 /nfs/dbraw/zinc/96/84/44/849968444.db2.gz FVPIJCGRZPEPKL-UHFFFAOYSA-N -1 1 408.404 4.121 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c1 ZINC000055230702 849990427 /nfs/dbraw/zinc/99/04/27/849990427.db2.gz CNPCCBIOHQSAOO-UHFFFAOYSA-N -1 1 411.845 4.230 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000055287619 849996113 /nfs/dbraw/zinc/99/61/13/849996113.db2.gz UGYBBBVZLVGXIH-UHFFFAOYSA-N -1 1 414.355 4.020 20 0 HIADMM COc1ccc(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000055315976 849999109 /nfs/dbraw/zinc/99/91/09/849999109.db2.gz BHKHQVAAVRCQOI-UHFFFAOYSA-N -1 1 401.890 4.108 20 0 HIADMM Cc1cccc([C@@H](C)CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436904603 862080145 /nfs/dbraw/zinc/08/01/45/862080145.db2.gz YXVUZLJYODCFTJ-FDDCHVKYSA-N -1 1 416.521 4.378 20 0 HIADMM Cc1occc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000055460989 850030194 /nfs/dbraw/zinc/03/01/94/850030194.db2.gz PFYLNMKLDWZRNO-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM CCC(=O)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436909450 862087002 /nfs/dbraw/zinc/08/70/02/862087002.db2.gz LTIJTHKTIALOMQ-NRFANRHFSA-N -1 1 416.477 4.381 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000055592174 850067811 /nfs/dbraw/zinc/06/78/11/850067811.db2.gz YWZDVAQIZOOAIZ-UHFFFAOYSA-N -1 1 416.421 4.289 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000055594960 850072108 /nfs/dbraw/zinc/07/21/08/850072108.db2.gz GRYXHCSVJXQRIO-UHFFFAOYSA-N -1 1 402.394 4.043 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)cc1 ZINC000055621315 850080675 /nfs/dbraw/zinc/08/06/75/850080675.db2.gz QPCGPSCEGVGYLD-UHFFFAOYSA-N -1 1 417.531 4.150 20 0 HIADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000055637813 850086693 /nfs/dbraw/zinc/08/66/93/850086693.db2.gz DOXICRDNTFVDGP-UHFFFAOYSA-N -1 1 408.785 4.338 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)cc1 ZINC000055639259 850087105 /nfs/dbraw/zinc/08/71/05/850087105.db2.gz MCUFDHXNVNBOJX-UHFFFAOYSA-N -1 1 414.527 4.061 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1)N1CCCCC1 ZINC000055650855 850096262 /nfs/dbraw/zinc/09/62/62/850096262.db2.gz QLSWGAMLISRIQZ-UHFFFAOYSA-N -1 1 412.433 4.132 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)c1 ZINC000055663255 850102953 /nfs/dbraw/zinc/10/29/53/850102953.db2.gz PTRMCSJOONUHJG-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)cc1 ZINC000055663248 850103387 /nfs/dbraw/zinc/10/33/87/850103387.db2.gz SWEKTGYIHZIAOU-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000055974607 850219881 /nfs/dbraw/zinc/21/98/81/850219881.db2.gz GCTQFEIVBURZAE-INIZCTEOSA-N -1 1 410.326 4.103 20 0 HIADMM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccccc1)c1ccc(Br)s1 ZINC000056128005 850248103 /nfs/dbraw/zinc/24/81/03/850248103.db2.gz LSXXYKWHWHIFER-SNVBAGLBSA-N -1 1 414.268 4.483 20 0 HIADMM CCN(C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H](C)c1cc2ccccc2o1 ZINC000056278185 850308958 /nfs/dbraw/zinc/30/89/58/850308958.db2.gz MDDRQLATQBLJPH-INIZCTEOSA-N -1 1 416.481 4.039 20 0 HIADMM Cc1ccc(-c2ncco2)cc1NC(=O)c1cc(I)ccc1[O-] ZINC000436935574 862114856 /nfs/dbraw/zinc/11/48/56/862114856.db2.gz KNHMLBASZXITCN-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc([O-])cc1F ZINC000436947698 862124884 /nfs/dbraw/zinc/12/48/84/862124884.db2.gz ZSIJVVODPNHAGH-HNNXBMFYSA-N -1 1 410.283 4.062 20 0 HIADMM COCc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000056931624 850518924 /nfs/dbraw/zinc/51/89/24/850518924.db2.gz QYGJPOLELHYAIK-UHFFFAOYSA-N -1 1 414.458 4.025 20 0 HIADMM COc1ccc(Cl)cc1CN1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436958360 862138494 /nfs/dbraw/zinc/13/84/94/862138494.db2.gz HDLDBXMMGLSVPP-UHFFFAOYSA-N -1 1 410.901 4.165 20 0 HIADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000057117880 850550712 /nfs/dbraw/zinc/55/07/12/850550712.db2.gz MBJXHUVUXPFXRN-UHFFFAOYSA-N -1 1 405.516 4.370 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1)c1ccc(F)cc1 ZINC000057116718 850550989 /nfs/dbraw/zinc/55/09/89/850550989.db2.gz VMTIBQFMEDTQJX-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000057121342 850552145 /nfs/dbraw/zinc/55/21/45/850552145.db2.gz BNYSPZBEJHKBKJ-LBPRGKRZSA-N -1 1 400.422 4.035 20 0 HIADMM CCCOc1cc(C)ccc1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436960970 862140881 /nfs/dbraw/zinc/14/08/81/862140881.db2.gz SSWOGLQBMXZUSN-UHFFFAOYSA-N -1 1 409.442 4.290 20 0 HIADMM O=C(Nc1ncc(Cc2cccc(Br)c2)s1)C(=O)c1ccc([O-])cc1 ZINC000436969331 862148431 /nfs/dbraw/zinc/14/84/31/862148431.db2.gz ZGYJMBHMRPBREJ-UHFFFAOYSA-N -1 1 417.284 4.023 20 0 HIADMM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1cccc(F)c1F ZINC000436968837 862149335 /nfs/dbraw/zinc/14/93/35/862149335.db2.gz XIIITKFSFSICTI-VLIAUNLRSA-N -1 1 424.447 4.306 20 0 HIADMM CC[C@@H](COC)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436979388 862156124 /nfs/dbraw/zinc/15/61/24/862156124.db2.gz KRVKOYXBTKIOBS-LBPRGKRZSA-N -1 1 411.285 4.106 20 0 HIADMM CCOC(=O)C1=C(NC(=O)c2cc(-c3ccccc3)on2)[N-]c2ccccc2N=C1C ZINC000057650794 850689339 /nfs/dbraw/zinc/68/93/39/850689339.db2.gz HOTLUAPQSJBJSY-UHFFFAOYSA-N -1 1 416.437 4.064 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000436977938 862156579 /nfs/dbraw/zinc/15/65/79/862156579.db2.gz FTMDWDHRWUSYAA-NRFANRHFSA-N -1 1 406.526 4.333 20 0 HIADMM CN1CC[C@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436978925 862156975 /nfs/dbraw/zinc/15/69/75/862156975.db2.gz IOCQKGMCJLNZMX-PIGZYNQJSA-N -1 1 415.267 4.400 20 0 HIADMM CCOc1cc(-c2noc(/C=C/c3cccc(O)c3)n2)cc(Br)c1[O-] ZINC000437001780 862174540 /nfs/dbraw/zinc/17/45/40/862174540.db2.gz WYTPXHQLILQHBN-VOTSOKGWSA-N -1 1 403.232 4.479 20 0 HIADMM O=C(NCc1sccc1Br)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000058587019 850862140 /nfs/dbraw/zinc/86/21/40/850862140.db2.gz AVCBXLUIJPUUJR-UHFFFAOYSA-N -1 1 423.332 4.021 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4ccc(F)cc43)c2)c1 ZINC000059006870 850977941 /nfs/dbraw/zinc/97/79/41/850977941.db2.gz DZBMHDLOFDFXLS-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM Cn1cnc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c1Cl ZINC000059588974 851008122 /nfs/dbraw/zinc/00/81/22/851008122.db2.gz GWDHHNWQRQIRDS-UHFFFAOYSA-N -1 1 422.297 4.071 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000060192741 851050375 /nfs/dbraw/zinc/05/03/75/851050375.db2.gz UIMRGENRAGMJAB-UHFFFAOYSA-N -1 1 424.504 4.302 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCc2cc(C(C)C)ccc21 ZINC000060193374 851050865 /nfs/dbraw/zinc/05/08/65/851050865.db2.gz JLLHRHGUZDMSTE-UHFFFAOYSA-N -1 1 416.525 4.176 20 0 HIADMM Cc1ccccc1OCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401416 851088066 /nfs/dbraw/zinc/08/80/66/851088066.db2.gz KSCAUWFCBCVJLF-UHFFFAOYSA-N -1 1 410.495 4.203 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1nc(Cl)ccc1Cl ZINC000060401370 851088417 /nfs/dbraw/zinc/08/84/17/851088417.db2.gz RZUDJGMEHKEUQV-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412141 851090459 /nfs/dbraw/zinc/09/04/59/851090459.db2.gz VKPDKAVBRVHRHL-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000060414681 851092344 /nfs/dbraw/zinc/09/23/44/851092344.db2.gz CSVJYKKYIBXYGT-UHFFFAOYSA-N -1 1 423.450 4.296 20 0 HIADMM CCc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)s1 ZINC000060426577 851095911 /nfs/dbraw/zinc/09/59/11/851095911.db2.gz BPDMWLQORIOLJJ-UHFFFAOYSA-N -1 1 414.552 4.350 20 0 HIADMM CCc1cc2c(COC(=O)CCc3ccc4ccccc4n3)cc(=O)oc2cc1[O-] ZINC000060583220 851156000 /nfs/dbraw/zinc/15/60/00/851156000.db2.gz VJAHMUVWEFAQFS-UHFFFAOYSA-N -1 1 403.434 4.285 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000060645131 851176915 /nfs/dbraw/zinc/17/69/15/851176915.db2.gz DCMKFGSUXDEKDT-UHFFFAOYSA-N -1 1 420.534 4.466 20 0 HIADMM Cc1cc(C(=O)N[N-]C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(C)s1 ZINC000060944440 851254343 /nfs/dbraw/zinc/25/43/43/851254343.db2.gz CNCSXTCBRCMYGJ-UHFFFAOYSA-N -1 1 410.524 4.149 20 0 HIADMM CCc1cc2c(COC(=O)COc3cccc(C(F)(F)F)c3)cc(=O)oc2cc1[O-] ZINC000061184548 851311377 /nfs/dbraw/zinc/31/13/77/851311377.db2.gz PBHOWAFEZGSQNI-UHFFFAOYSA-N -1 1 422.355 4.202 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000062300322 851527286 /nfs/dbraw/zinc/52/72/86/851527286.db2.gz OHQFNYQORFWBLT-YADHBBJMSA-N -1 1 424.497 4.221 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)c1C ZINC000062300269 851527474 /nfs/dbraw/zinc/52/74/74/851527474.db2.gz HVEPJSNXTIFOHR-GGAORHGYSA-N -1 1 420.534 4.390 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000062482310 851561218 /nfs/dbraw/zinc/56/12/18/851561218.db2.gz ZPJRFZLXYKSVSE-UHFFFAOYSA-N -1 1 414.483 4.159 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC)c2)cc1 ZINC000063175282 851626977 /nfs/dbraw/zinc/62/69/77/851626977.db2.gz IRVYABRJUCRZIP-UHFFFAOYSA-N -1 1 404.532 4.196 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC)cc2)cc1 ZINC000063179324 851628818 /nfs/dbraw/zinc/62/88/18/851628818.db2.gz LSGHYZMXLSVAGJ-UHFFFAOYSA-N -1 1 404.532 4.196 20 0 HIADMM CC[C@H](C)Oc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(OC)cc2)c1 ZINC000063806038 851769481 /nfs/dbraw/zinc/76/94/81/851769481.db2.gz MOADHRGGSLBINZ-AWEZNQCLSA-N -1 1 412.515 4.432 20 0 HIADMM CCCN(CC(F)(F)F)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000063851188 851778695 /nfs/dbraw/zinc/77/86/95/851778695.db2.gz AVRCFKYWSLXFFI-UHFFFAOYSA-N -1 1 418.412 4.041 20 0 HIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1)C(C)=O ZINC000063911960 851791243 /nfs/dbraw/zinc/79/12/43/851791243.db2.gz SNRVFCYVFGYXLD-UHFFFAOYSA-N -1 1 418.412 4.014 20 0 HIADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063912382 851792740 /nfs/dbraw/zinc/79/27/40/851792740.db2.gz GADNBOWSQIDGID-UHFFFAOYSA-N -1 1 418.412 4.031 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000064300693 851866947 /nfs/dbraw/zinc/86/69/47/851866947.db2.gz PHVWGDYQHBTZSA-UHFFFAOYSA-N -1 1 407.511 4.074 20 0 HIADMM O=C([N-]c1nncs1)c1cc2cc(Br)cc(Br)c2o1 ZINC000064386165 851884683 /nfs/dbraw/zinc/88/46/83/851884683.db2.gz RIQPAPNNVVKDFO-UHFFFAOYSA-N -1 1 403.055 4.062 20 0 HIADMM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C[C@H](C)O1 ZINC000064478298 851909216 /nfs/dbraw/zinc/90/92/16/851909216.db2.gz XMMPTCOFVDOGBA-STQMWFEESA-N -1 1 415.342 4.408 20 0 HIADMM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)[N-]NC(=O)c1cccc2cccnc21 ZINC000064500751 851914625 /nfs/dbraw/zinc/91/46/25/851914625.db2.gz BGNDZEQRGQDSHH-UHFFFAOYSA-N -1 1 416.506 4.358 20 0 HIADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1Cl ZINC000064938031 852026202 /nfs/dbraw/zinc/02/62/02/852026202.db2.gz VRYHCROVDXBYKY-UHFFFAOYSA-N -1 1 424.853 4.112 20 0 HIADMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064938065 852026528 /nfs/dbraw/zinc/02/65/28/852026528.db2.gz SDADWIYYEXOJAW-UHFFFAOYSA-N -1 1 420.434 4.302 20 0 HIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(C(=O)N(CC)CC)cc3)ccc21 ZINC000065069811 852054185 /nfs/dbraw/zinc/05/41/85/852054185.db2.gz BDBFWVJNZWZNCD-UHFFFAOYSA-N -1 1 413.543 4.334 20 0 HIADMM Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)s1 ZINC000065142651 852077724 /nfs/dbraw/zinc/07/77/24/852077724.db2.gz XVWJWXCBXJXDOZ-CQSZACIVSA-N -1 1 418.515 4.487 20 0 HIADMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000065223915 852091182 /nfs/dbraw/zinc/09/11/82/852091182.db2.gz KRAWIINBVBULEW-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM CCCC1CCC(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(OC)cc2)CC1 ZINC000065680645 852217621 /nfs/dbraw/zinc/21/76/21/852217621.db2.gz DDSYTRMENKCCFY-UHFFFAOYSA-N -1 1 402.564 4.481 20 0 HIADMM Cc1occc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000065689655 852219377 /nfs/dbraw/zinc/21/93/77/852219377.db2.gz GYYRGOPUBCTZJI-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000065833379 852275891 /nfs/dbraw/zinc/27/58/91/852275891.db2.gz VHVFCAKPJFMECU-UHFFFAOYSA-N -1 1 406.813 4.142 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000065872456 852294734 /nfs/dbraw/zinc/29/47/34/852294734.db2.gz LAYVXAMEVXVMKR-UHFFFAOYSA-N -1 1 414.483 4.010 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000066043071 852364087 /nfs/dbraw/zinc/36/40/87/852364087.db2.gz FKZNGUOQUCMLLC-UHFFFAOYSA-N -1 1 400.276 4.051 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)c3ccncc3)cc2)cc1C ZINC000071939451 852438756 /nfs/dbraw/zinc/43/87/56/852438756.db2.gz CXEUEUDEBPXYPM-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCc4cc(F)ccc43)cc2)cc1 ZINC000072022068 852470131 /nfs/dbraw/zinc/47/01/31/852470131.db2.gz ONOPOOLGCNBTDK-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc(C(F)(F)F)cc1 ZINC000072035776 852477994 /nfs/dbraw/zinc/47/79/94/852477994.db2.gz ODVMWWNGKNFLDQ-MRXNPFEDSA-N -1 1 411.405 4.234 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccc2)cc1 ZINC000072079414 852499110 /nfs/dbraw/zinc/49/91/10/852499110.db2.gz CJTRHAWDQKXMLM-UHFFFAOYSA-N -1 1 423.416 4.255 20 0 HIADMM CC(C)(CC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000072082001 852500284 /nfs/dbraw/zinc/50/02/84/852500284.db2.gz LSFIWPLMMPPRFZ-UHFFFAOYSA-N -1 1 422.550 4.472 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1(c2ccccc2)CCC1 ZINC000072081983 852500436 /nfs/dbraw/zinc/50/04/36/852500436.db2.gz NBFIRHDBSURTEF-UHFFFAOYSA-N -1 1 420.534 4.226 20 0 HIADMM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000078510661 852517724 /nfs/dbraw/zinc/51/77/24/852517724.db2.gz XILWHHFHRGXWBY-QGZVFWFLSA-N -1 1 406.507 4.326 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cc(F)ccc3F)c2)c1 ZINC000078512288 852517895 /nfs/dbraw/zinc/51/78/95/852517895.db2.gz PSVCWBXISGUIGE-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1COCc1ccccc1)c1cc(F)c(F)cc1F ZINC000078555341 852518649 /nfs/dbraw/zinc/51/86/49/852518649.db2.gz YRDAOCMVKBNFBC-UHFFFAOYSA-N -1 1 421.440 4.299 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccnn3C(C)C)c2)c1 ZINC000096971280 852565821 /nfs/dbraw/zinc/56/58/21/852565821.db2.gz IYWGGKQQVBYQEI-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C)cc2F)cc1 ZINC000097039773 852576044 /nfs/dbraw/zinc/57/60/44/852576044.db2.gz GLHYSGWDINWWPR-UHFFFAOYSA-N -1 1 400.479 4.483 20 0 HIADMM O=C(c1ccc(Oc2cccnc2)cc1)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000097550952 852629345 /nfs/dbraw/zinc/62/93/45/852629345.db2.gz UMBFYTQHCPEGSE-UHFFFAOYSA-N -1 1 421.526 4.483 20 0 HIADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000097552616 852630404 /nfs/dbraw/zinc/63/04/04/852630404.db2.gz HVCQUPLIXVGGJI-UHFFFAOYSA-N -1 1 419.963 4.274 20 0 HIADMM CCCCN1C(=O)CC[C@H](C(=O)[N-]OCc2ccccc2)[C@H]1c1ccccc1OC ZINC000105181873 852693658 /nfs/dbraw/zinc/69/36/58/852693658.db2.gz XJKUVAGDSRURRP-NZQKXSOJSA-N -1 1 410.514 4.023 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCS[C@@H](C(C)C)C3)c2)c1 ZINC000437198164 862389201 /nfs/dbraw/zinc/38/92/01/862389201.db2.gz JGFRIPRIEYXCPR-HXUWFJFHSA-N -1 1 418.584 4.009 20 0 HIADMM CCOC(=O)C1=C(NC(=O)c2cc(Cl)c(Cl)n2C)[N-]c2ccccc2N=C1C ZINC000106195436 852761814 /nfs/dbraw/zinc/76/18/14/852761814.db2.gz LWFSRDGATJDGPZ-UHFFFAOYSA-N -1 1 421.284 4.055 20 0 HIADMM COc1cc(CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)ccc1C ZINC000107542057 852774934 /nfs/dbraw/zinc/77/49/34/852774934.db2.gz XWZMGTNTHKKQDT-UHFFFAOYSA-N -1 1 424.522 4.294 20 0 HIADMM O=C(CCC(=O)c1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000107540723 852775036 /nfs/dbraw/zinc/77/50/36/852775036.db2.gz BUHLLTYYLOIGTB-UHFFFAOYSA-N -1 1 408.479 4.089 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCS[C@H](C(C)C)C2)cc1 ZINC000437207643 862398113 /nfs/dbraw/zinc/39/81/13/862398113.db2.gz IXCYKPWLCHQCQE-FQEVSTJZSA-N -1 1 418.584 4.009 20 0 HIADMM COc1ccc(CC[C@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000109311557 852951193 /nfs/dbraw/zinc/95/11/93/852951193.db2.gz QFBJYMSKVRSNGR-KRWDZBQOSA-N -1 1 424.570 4.452 20 0 HIADMM CCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000110229677 853075898 /nfs/dbraw/zinc/07/58/98/853075898.db2.gz IOCLAKZHVOWOMG-NRFANRHFSA-N -1 1 404.466 4.187 20 0 HIADMM O=C(NCc1cc2ccccc2o1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110222671 853075932 /nfs/dbraw/zinc/07/59/32/853075932.db2.gz FMCMWBDVFGSSIX-OAQYLSRUSA-N -1 1 414.461 4.213 20 0 HIADMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000110902278 853166382 /nfs/dbraw/zinc/16/63/82/853166382.db2.gz KZQBMEHNMOFLEC-UHFFFAOYSA-N -1 1 420.434 4.160 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(Cl)c[nH]3)ccc2C)c1 ZINC000115306134 853248920 /nfs/dbraw/zinc/24/89/20/853248920.db2.gz MEZVTKKQIGMCHQ-UHFFFAOYSA-N -1 1 403.891 4.338 20 0 HIADMM Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)s1 ZINC000115724903 853261934 /nfs/dbraw/zinc/26/19/34/853261934.db2.gz WCACOHJVTVIMTJ-AWEZNQCLSA-N -1 1 418.515 4.487 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3C(C)C)cc2)cc1 ZINC000115906600 853271551 /nfs/dbraw/zinc/27/15/51/853271551.db2.gz CYSUBSGETMYQTO-NRFANRHFSA-N -1 1 416.543 4.147 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000115915961 853272679 /nfs/dbraw/zinc/27/26/79/853272679.db2.gz KNLXSROCOTZDJL-UHFFFAOYSA-N -1 1 413.499 4.362 20 0 HIADMM C[C@H](Cc1ccccc1F)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000116612601 853319507 /nfs/dbraw/zinc/31/95/07/853319507.db2.gz MPBCEPBIXFLKRJ-OPAMFIHVSA-N -1 1 420.484 4.037 20 0 HIADMM CN(CCCOc1cccc(Cl)c1)C(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000117688621 853365911 /nfs/dbraw/zinc/36/59/11/853365911.db2.gz DFKDBDYJVJNNDU-UHFFFAOYSA-N -1 1 422.963 4.250 20 0 HIADMM CCCCCCOCc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000140074325 853433628 /nfs/dbraw/zinc/43/36/28/853433628.db2.gz VUXZTZGQIJFHRP-UHFFFAOYSA-N -1 1 418.559 4.286 20 0 HIADMM C[C@H]1CN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)C[C@H](c2ccccc2)O1 ZINC000143475056 853516010 /nfs/dbraw/zinc/51/60/10/853516010.db2.gz BCTVXTBVWDVWAR-GOEBONIOSA-N -1 1 414.556 4.048 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)sc1Br ZINC000149466005 853625462 /nfs/dbraw/zinc/62/54/62/853625462.db2.gz MZXHPZCZDHGOEC-UHFFFAOYSA-N -1 1 410.698 4.002 20 0 HIADMM CCCCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1[C@@H](CC)N(C)C ZINC000195538574 853672587 /nfs/dbraw/zinc/67/25/87/853672587.db2.gz LLAIHFYFRXAAMH-QGZVFWFLSA-N -1 1 416.547 4.195 20 0 HIADMM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc(Br)ccc1[O-] ZINC000195645673 853736245 /nfs/dbraw/zinc/73/62/45/853736245.db2.gz JDBNTKGRCIXQAN-CQSZACIVSA-N -1 1 406.276 4.355 20 0 HIADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000195667267 853747733 /nfs/dbraw/zinc/74/77/33/853747733.db2.gz PCHHXSLZZQMFBE-DOTOQJQBSA-N -1 1 404.507 4.183 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000195700163 853766391 /nfs/dbraw/zinc/76/63/91/853766391.db2.gz XNVVXFGJINXBMZ-ZIAGYGMSSA-N -1 1 414.449 4.120 20 0 HIADMM CCn1ncc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc21 ZINC000195730985 853782953 /nfs/dbraw/zinc/78/29/53/853782953.db2.gz GTZYPQAIKKCPEF-UHFFFAOYSA-N -1 1 420.494 4.109 20 0 HIADMM Cc1cccc2c1CCN2C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000195735278 853785839 /nfs/dbraw/zinc/78/58/39/853785839.db2.gz KZVUNHVJHUZTAI-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM CCOc1cc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc(Cl)c1[O-] ZINC000216150745 853845317 /nfs/dbraw/zinc/84/53/17/853845317.db2.gz SVAIILQVUYHFQR-UHFFFAOYSA-N -1 1 413.905 4.236 20 0 HIADMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000231657793 853897034 /nfs/dbraw/zinc/89/70/34/853897034.db2.gz OIUGIAAKLXASED-UHFFFAOYSA-N -1 1 423.101 4.460 20 0 HIADMM COc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)cc1 ZINC000247902651 854166701 /nfs/dbraw/zinc/16/67/01/854166701.db2.gz RLEYOLWCARQMLO-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261369486 854236326 /nfs/dbraw/zinc/23/63/26/854236326.db2.gz ZVYJUZXXSSJQCB-JKSUJKDBSA-N -1 1 414.933 4.206 20 0 HIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)Nc1ccc(Br)cc1 ZINC000261416458 854254449 /nfs/dbraw/zinc/25/44/49/854254449.db2.gz XSFCYEBYZRPUGZ-ZETCQYMHSA-N -1 1 422.226 4.083 20 0 HIADMM CCN(CC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000261479995 854276770 /nfs/dbraw/zinc/27/67/70/854276770.db2.gz UFOPJYULBLUMJD-UHFFFAOYSA-N -1 1 410.898 4.152 20 0 HIADMM Cc1nc(-c2ccc(NC[C@H](O)c3ccc(Cl)cc3Cl)nc2)[n-]c(=O)c1C ZINC000301391764 854380533 /nfs/dbraw/zinc/38/05/33/854380533.db2.gz HPKKQOCNBZLKOY-INIZCTEOSA-N -1 1 405.285 4.313 20 0 HIADMM Cc1nc(-c2ccc(NC[C@@H](O)c3c(Cl)cccc3Cl)nc2)[n-]c(=O)c1C ZINC000301390983 854380672 /nfs/dbraw/zinc/38/06/72/854380672.db2.gz GTRFYQBZMJDIIB-OAHLLOKOSA-N -1 1 405.285 4.313 20 0 HIADMM Cc1nc(-c2ccc(NCCOc3ccccc3C(F)(F)F)nc2)[n-]c(=O)c1C ZINC000301398717 854382432 /nfs/dbraw/zinc/38/24/32/854382432.db2.gz OPUPAGMIRNOOFH-UHFFFAOYSA-N -1 1 404.392 4.371 20 0 HIADMM CC(C)c1noc([N-][C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)n1 ZINC000301474424 854403537 /nfs/dbraw/zinc/40/35/37/854403537.db2.gz ROVRKZMHYTZPDJ-QGZVFWFLSA-N -1 1 407.442 4.076 20 0 HIADMM Cc1cccc2ncnc(NCc3ccccc3[N-]S(=O)(=O)c3ccccc3)c12 ZINC000301551649 854419207 /nfs/dbraw/zinc/41/92/07/854419207.db2.gz RAJSIJSOQJGTQE-UHFFFAOYSA-N -1 1 404.495 4.351 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccc(COC4CCOCC4)cc3)nc2)[n-]c(=O)c1C ZINC000301801175 854467614 /nfs/dbraw/zinc/46/76/14/854467614.db2.gz SLYKWCHSWSMWFN-UHFFFAOYSA-N -1 1 420.513 4.169 20 0 HIADMM O=c1[n-]c(Oc2ccc(F)c(Br)c2)nc2c1cnn2-c1ccccc1 ZINC000301993078 854510971 /nfs/dbraw/zinc/51/09/71/854510971.db2.gz GQHWPBWFOUTYER-UHFFFAOYSA-N -1 1 401.195 4.215 20 0 HIADMM Cc1cn2cc([N-]S(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)ccc2n1 ZINC000437323547 862590666 /nfs/dbraw/zinc/59/06/66/862590666.db2.gz NBDJPWZZHBAJHY-UHFFFAOYSA-N -1 1 400.529 4.351 20 0 HIADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000437324190 862592536 /nfs/dbraw/zinc/59/25/36/862592536.db2.gz OJVJVGBKUYMJNW-UHFFFAOYSA-N -1 1 406.454 4.351 20 0 HIADMM COc1ccccc1C[C@@H]1CCCN1C(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000302938036 854687750 /nfs/dbraw/zinc/68/77/50/854687750.db2.gz AGLRJRSZCGRRQA-IBGZPJMESA-N -1 1 422.554 4.158 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N(CC(F)F)C1CC1 ZINC000303256368 854838672 /nfs/dbraw/zinc/83/86/72/854838672.db2.gz CBWJZIJZAJNMKS-UHFFFAOYSA-N -1 1 414.861 4.011 20 0 HIADMM Cc1ccc(-c2nnc3n2CCCCC3)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000303314680 854867627 /nfs/dbraw/zinc/86/76/27/854867627.db2.gz TVCOOBQPEVURRO-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM CCCN(CCc1cccc(F)c1)C(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000303572440 855048142 /nfs/dbraw/zinc/04/81/42/855048142.db2.gz LMANHDUHYCLTRL-UHFFFAOYSA-N -1 1 404.536 4.290 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000303596854 855068106 /nfs/dbraw/zinc/06/81/06/855068106.db2.gz UGZMAYJCMXZTJP-QFIPXVFZSA-N -1 1 412.559 4.355 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCS[C@@H](C)[C@@H]3C)c2)c1 ZINC000303691402 855136433 /nfs/dbraw/zinc/13/64/33/855136433.db2.gz MGGRZTFMZADXIG-IRXDYDNUSA-N -1 1 418.584 4.070 20 0 HIADMM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000303691221 855136551 /nfs/dbraw/zinc/13/65/51/855136551.db2.gz PRNHKBDRMQZXLO-QZTJIDSGSA-N -1 1 422.547 4.031 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCS[C@H](C)[C@H]3C)c2)c1 ZINC000303691400 855136682 /nfs/dbraw/zinc/13/66/82/855136682.db2.gz MGGRZTFMZADXIG-IAGOWNOFSA-N -1 1 418.584 4.070 20 0 HIADMM O=S(=O)([N-][C@H]1CCC[C@H]1Cc1ccccc1)c1sccc1Br ZINC000303752982 855173677 /nfs/dbraw/zinc/17/36/77/855173677.db2.gz CFKXWSGSNFSTJA-ZFWWWQNUSA-N -1 1 400.363 4.200 20 0 HIADMM COC(=O)CCCc1nnc([N-]C(=O)c2csc(-c3cccc(Cl)c3)n2)s1 ZINC000303757063 855177808 /nfs/dbraw/zinc/17/78/08/855177808.db2.gz DFGLMODTJYXSQX-UHFFFAOYSA-N -1 1 422.919 4.063 20 0 HIADMM CCCC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000303796204 855202816 /nfs/dbraw/zinc/20/28/16/855202816.db2.gz RMHWKZJRQXONLR-SFHVURJKSA-N -1 1 418.559 4.039 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCCc1cc2ccccc2o1 ZINC000303839859 855237443 /nfs/dbraw/zinc/23/74/43/855237443.db2.gz QCUMCJWAXZAIPH-UHFFFAOYSA-N -1 1 412.902 4.366 20 0 HIADMM CC[C@@](C)(NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1)c1nc(C)cs1 ZINC000303956980 855319737 /nfs/dbraw/zinc/31/97/37/855319737.db2.gz VGTSQISQNCCPIG-LJQANCHMSA-N -1 1 401.561 4.123 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cc(Br)cnc2Cl)c(Cl)cc1F ZINC000314427604 855375821 /nfs/dbraw/zinc/37/58/21/855375821.db2.gz ZUBRPYVCWMKUDC-UHFFFAOYSA-N -1 1 414.083 4.399 20 0 HIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc(Br)c(F)c1 ZINC000325977052 855406518 /nfs/dbraw/zinc/40/65/18/855406518.db2.gz ZCCFJQGNQIPCRA-UHFFFAOYSA-N -1 1 413.312 4.379 20 0 HIADMM CCc1cc(Br)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000391045424 855458335 /nfs/dbraw/zinc/45/83/35/855458335.db2.gz DPIYPMWVOZIPRB-UHFFFAOYSA-N -1 1 418.696 4.164 20 0 HIADMM O=S(=O)([N-]Cc1csc(Br)c1)c1ccc(Cl)c(F)c1Cl ZINC000397981374 855473960 /nfs/dbraw/zinc/47/39/60/855473960.db2.gz MRVLTMNSXCYPJW-UHFFFAOYSA-N -1 1 419.124 4.435 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(OCc3cn4ccccc4n3)c2)c1 ZINC000410341175 855938138 /nfs/dbraw/zinc/93/81/38/855938138.db2.gz ULULVPBQEMRJAG-UHFFFAOYSA-N -1 1 423.494 4.113 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1cnn(-c2ccccc2F)c1 ZINC000410423527 855991468 /nfs/dbraw/zinc/99/14/68/855991468.db2.gz YLSXCMPGJXOYOP-UHFFFAOYSA-N -1 1 404.225 4.258 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)c1C ZINC000425980454 856029776 /nfs/dbraw/zinc/02/97/76/856029776.db2.gz NQUPTMXILOXZAB-UHFFFAOYSA-N -1 1 405.516 4.288 20 0 HIADMM O=C([O-])[C@@H](CNCc1csc(COc2ccccc2)n1)Cc1cccc(Cl)c1 ZINC000426702003 856420482 /nfs/dbraw/zinc/42/04/82/856420482.db2.gz COSALBQTZMNEJV-MRXNPFEDSA-N -1 1 416.930 4.409 20 0 HIADMM O=C([O-])C[C@H](NCc1cnc(-c2ccccc2)s1)c1cnn(-c2ccccc2)c1 ZINC000426718713 856431936 /nfs/dbraw/zinc/43/19/36/856431936.db2.gz BYYQIADGOPGVKU-FQEVSTJZSA-N -1 1 404.495 4.301 20 0 HIADMM O=C([O-])C[C@H](NCc1cnc(-c2ccsc2)s1)c1cnn(-c2ccccc2)c1 ZINC000426721941 856434423 /nfs/dbraw/zinc/43/44/23/856434423.db2.gz FEWOZOFVDUBPAS-SFHVURJKSA-N -1 1 410.524 4.363 20 0 HIADMM CCSc1cccc(CN[C@H](C(=O)[O-])c2cc(Br)ccc2OC)c1 ZINC000426744634 856447913 /nfs/dbraw/zinc/44/79/13/856447913.db2.gz XLLFEDXLXYJOEA-KRWDZBQOSA-N -1 1 410.333 4.485 20 0 HIADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(Br)c2)o1 ZINC000426774058 856470225 /nfs/dbraw/zinc/47/02/25/856470225.db2.gz MGFVIEZDNRYZQO-GFCCVEGCSA-N -1 1 404.207 4.258 20 0 HIADMM COc1cc(OC)cc(Oc2ccc(CN[C@@H](C(=O)[O-])c3ccccc3OC)cc2)c1 ZINC000426781759 856475952 /nfs/dbraw/zinc/47/59/52/856475952.db2.gz DMFLWBKSZYUPIM-HSZRJFAPSA-N -1 1 423.465 4.420 20 0 HIADMM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1OCc1cccs1 ZINC000426793535 856482127 /nfs/dbraw/zinc/48/21/27/856482127.db2.gz QSRVKMLERWVUNW-FQEVSTJZSA-N -1 1 401.459 4.390 20 0 HIADMM COc1cc(C(=O)N2CCC(c3noc4cc(F)ccc43)CC2)cc(Cl)c1[O-] ZINC000426794520 856482642 /nfs/dbraw/zinc/48/26/42/856482642.db2.gz UVJMPGXEFOOXKX-UHFFFAOYSA-N -1 1 404.825 4.354 20 0 HIADMM CCc1ccc(-c2ccc(CN[C@@H](Cc3cc(OC)cc(OC)c3)C(=O)[O-])o2)cc1 ZINC000426803215 856486670 /nfs/dbraw/zinc/48/66/70/856486670.db2.gz LDHCKLNSXPRXGM-QFIPXVFZSA-N -1 1 409.482 4.312 20 0 HIADMM COc1ccc([C@H](CC(=O)[O-])NCc2cnc(-c3cccs3)s2)cc1OC ZINC000426800796 856487122 /nfs/dbraw/zinc/48/71/22/856487122.db2.gz OZGORMDYRNJZOX-AWEZNQCLSA-N -1 1 404.513 4.194 20 0 HIADMM O=C([O-])[C@H](NCc1csc(Br)c1)c1ccc(Br)cc1 ZINC000426813398 856493537 /nfs/dbraw/zinc/49/35/37/856493537.db2.gz WYWGIKHDDYZCNN-GFCCVEGCSA-N -1 1 405.111 4.189 20 0 HIADMM O=C([O-])C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1cccc(Br)c1 ZINC000426821454 856497379 /nfs/dbraw/zinc/49/73/79/856497379.db2.gz STZDRJNYOGVHKG-QGZVFWFLSA-N -1 1 400.276 4.145 20 0 HIADMM COc1ccc([C@H](NCc2ccc(Br)cc2Cl)C(=O)[O-])cc1F ZINC000426838101 856507380 /nfs/dbraw/zinc/50/73/80/856507380.db2.gz ZCZPHMZHDKHLGG-HNNXBMFYSA-N -1 1 402.647 4.166 20 0 HIADMM Cc1cnc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000427041167 856607793 /nfs/dbraw/zinc/60/77/93/856607793.db2.gz PQCFVGYAXDLOAA-HNNXBMFYSA-N -1 1 415.540 4.052 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)cc1Cl ZINC000427112527 856644831 /nfs/dbraw/zinc/64/48/31/856644831.db2.gz CRZLGUOQPUGTFN-UHFFFAOYSA-N -1 1 412.920 4.084 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(OCc4cccnc4)c3)cc2s1 ZINC000427112068 856645117 /nfs/dbraw/zinc/64/51/17/856645117.db2.gz YPVOJKCHUFNKDN-UHFFFAOYSA-N -1 1 411.508 4.380 20 0 HIADMM Cc1cnc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c([O-])c1 ZINC000427122896 856652159 /nfs/dbraw/zinc/65/21/59/856652159.db2.gz UGCWEVAYCHODBF-HNNXBMFYSA-N -1 1 408.285 4.036 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(COCCOC(C)C)c3)cc2s1 ZINC000427194195 856704717 /nfs/dbraw/zinc/70/47/17/856704717.db2.gz YIGHWKMTMNXTSG-UHFFFAOYSA-N -1 1 420.556 4.347 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4[nH]c([C@H]5CCCO5)nc4c3)cc2s1 ZINC000427202725 856710693 /nfs/dbraw/zinc/71/06/93/856710693.db2.gz DFXLRUMDXOLYAN-QGZVFWFLSA-N -1 1 414.512 4.133 20 0 HIADMM Cc1cc(C)nc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c1 ZINC000437467773 862829981 /nfs/dbraw/zinc/82/99/81/862829981.db2.gz BSSHVPSVESDXLL-UHFFFAOYSA-N -1 1 417.437 4.030 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(O[C@H]4CCCC[C@H]4O)cc3)cc2s1 ZINC000427250001 856735317 /nfs/dbraw/zinc/73/53/17/856735317.db2.gz MYJARFJPORQTJR-MOPGFXCFSA-N -1 1 418.540 4.088 20 0 HIADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(I)c([O-])c1 ZINC000427594590 856881121 /nfs/dbraw/zinc/88/11/21/856881121.db2.gz YSEGHRJKFXSSCB-RAXLEYEMSA-N -1 1 407.251 4.172 20 0 HIADMM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(Cl)c3Br)[nH]c2c1 ZINC000427649162 856896986 /nfs/dbraw/zinc/89/69/86/856896986.db2.gz VTYQPUJWXSEHCE-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1ccc2nc([N-]S(=O)(=O)c3c(Cl)cccc3Br)[nH]c2c1 ZINC000427659757 856899599 /nfs/dbraw/zinc/89/95/99/856899599.db2.gz LPFXXTYWQOHWLF-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM CN1Cc2cccc([N-]S(=O)(=O)c3ccc(OCC(F)F)c4ccccc43)c2C1 ZINC000427787594 856954139 /nfs/dbraw/zinc/95/41/39/856954139.db2.gz WDTDLTMLOJTOHQ-UHFFFAOYSA-N -1 1 418.465 4.230 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCS[C@H](C)CC3)cc2)cc1C ZINC000427912072 857003577 /nfs/dbraw/zinc/00/35/77/857003577.db2.gz KRIKMWKCFOZGQM-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1nc(C(C)C)oc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000428178073 857098320 /nfs/dbraw/zinc/09/83/20/857098320.db2.gz SKKKIPXENZUILJ-UHFFFAOYSA-N -1 1 413.499 4.468 20 0 HIADMM O=C(NCc1nc(-c2ccccc2F)cs1)c1ccc(Br)c([O-])c1 ZINC000428540383 857251494 /nfs/dbraw/zinc/25/14/94/857251494.db2.gz ALKYWEPPXFBCQC-UHFFFAOYSA-N -1 1 407.264 4.347 20 0 HIADMM CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]c1c(F)cc(C(C)=O)c(F)c1F ZINC000428803735 857351014 /nfs/dbraw/zinc/35/10/14/857351014.db2.gz RRKKAYVYDQRXRR-UHFFFAOYSA-N -1 1 406.282 4.371 20 0 HIADMM COc1cc(NC(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000428885216 857389578 /nfs/dbraw/zinc/38/95/78/857389578.db2.gz UDYSWKPNIRHNLF-IBGZPJMESA-N -1 1 419.547 4.284 20 0 HIADMM CSC[C@@H]1CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000429269066 857583671 /nfs/dbraw/zinc/58/36/71/857583671.db2.gz CAIWETHNZJVGMV-CYBMUJFWSA-N -1 1 403.548 4.366 20 0 HIADMM CSC[C@H]1CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000429269068 857583778 /nfs/dbraw/zinc/58/37/78/857583778.db2.gz CAIWETHNZJVGMV-ZDUSSCGKSA-N -1 1 403.548 4.366 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1ccc(Br)cc1C(F)(F)F ZINC000429907161 857938686 /nfs/dbraw/zinc/93/86/86/857938686.db2.gz BPVXWOQWQNNDIY-QMMMGPOBSA-N -1 1 422.213 4.182 20 0 HIADMM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3cnccc3C(F)(F)F)c2O1 ZINC000430378735 858140109 /nfs/dbraw/zinc/14/01/09/858140109.db2.gz SQUHXDWGYDVDHB-UHFFFAOYSA-N -1 1 406.813 4.268 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)cc2)cc1 ZINC000430455493 858173580 /nfs/dbraw/zinc/17/35/80/858173580.db2.gz OICMTMFKCQAFAO-QFBILLFUSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@@H]1CC[C@@H](C)C1 ZINC000430457972 858175437 /nfs/dbraw/zinc/17/54/37/858175437.db2.gz MFDMCYDMGNOACH-RDTXWAMCSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)cc2)cc1C ZINC000430459102 858176383 /nfs/dbraw/zinc/17/63/83/858176383.db2.gz PEVHSMLMIIVGMB-FOIQADDNSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)c2)cc1F ZINC000430488361 858195529 /nfs/dbraw/zinc/19/55/29/858195529.db2.gz ZSFYSPABEDKSHX-KDOFPFPSSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cncc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c1 ZINC000430734508 858280908 /nfs/dbraw/zinc/28/09/08/858280908.db2.gz MVTNAODXDPUPSW-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cc(Br)cc2cccnc21 ZINC000431145217 858469643 /nfs/dbraw/zinc/46/96/43/858469643.db2.gz GEMYUVSSEUHFSL-UHFFFAOYSA-N -1 1 417.206 4.215 20 0 HIADMM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1c(Cl)cc(Cl)cc1Cl ZINC000431267835 858540479 /nfs/dbraw/zinc/54/04/79/858540479.db2.gz ZKTVOGBRKDSRIJ-UHFFFAOYSA-N -1 1 408.738 4.437 20 0 HIADMM C[C@@H](C(=O)Nc1cc([O-])c(Br)cc1Br)N1[C@H](C)CC[C@H]1C ZINC000431442582 858617780 /nfs/dbraw/zinc/61/77/80/858617780.db2.gz DFCYBAPTPLZSOL-BBBLOLIVSA-N -1 1 420.145 4.117 20 0 HIADMM COc1cccc(CC(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC000431451879 858623691 /nfs/dbraw/zinc/62/36/91/858623691.db2.gz UVIKCDUWOXHOGA-UHFFFAOYSA-N -1 1 415.081 4.107 20 0 HIADMM CC(C)c1cc(C(=O)Nc2cc([O-])c(Br)cc2Br)nn1C ZINC000431455525 858625692 /nfs/dbraw/zinc/62/56/92/858625692.db2.gz IPVYJSLCPORTSM-UHFFFAOYSA-N -1 1 417.101 4.026 20 0 HIADMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431642617 858706882 /nfs/dbraw/zinc/70/68/82/858706882.db2.gz GCPCGKVKWJOANT-SJKOYZFVSA-N -1 1 419.877 4.038 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1noc(Cc2ccccc2)n1 ZINC000431889788 858857618 /nfs/dbraw/zinc/85/76/18/858857618.db2.gz NRUPHORGKSVMMS-NSHDSACASA-N -1 1 412.298 4.007 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3cncs3)ccc2C)c1 ZINC000432054655 858953124 /nfs/dbraw/zinc/95/31/24/858953124.db2.gz WDUNNCIHCYUQPF-UHFFFAOYSA-N -1 1 415.540 4.132 20 0 HIADMM CO[C@H]1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000432059362 858957208 /nfs/dbraw/zinc/95/72/08/858957208.db2.gz BFMSORUOSJRZSV-KDOFPFPSSA-N -1 1 422.934 4.285 20 0 HIADMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc(Br)s3)cc21 ZINC000432077820 858972470 /nfs/dbraw/zinc/97/24/70/858972470.db2.gz KIGCWMVXSDMLJT-UHFFFAOYSA-N -1 1 406.710 4.094 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(Br)c3)c2)n1 ZINC000432183755 859036722 /nfs/dbraw/zinc/03/67/22/859036722.db2.gz BNJFDOQUKDBWAT-UHFFFAOYSA-N -1 1 422.304 4.171 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1OCCC(C)C ZINC000432191703 859038404 /nfs/dbraw/zinc/03/84/04/859038404.db2.gz KOJSKYBJBNZBBU-UHFFFAOYSA-N -1 1 400.500 4.062 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc2o1 ZINC000432379594 859132345 /nfs/dbraw/zinc/13/23/45/859132345.db2.gz DOUZYCSXVFUDHU-UHFFFAOYSA-N -1 1 420.796 4.447 20 0 HIADMM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3F)cccc21 ZINC000432456534 859172089 /nfs/dbraw/zinc/17/20/89/859172089.db2.gz WVVUKWBQIJOZFT-HNNXBMFYSA-N -1 1 418.412 4.031 20 0 HIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c1Cl ZINC000432465919 859176228 /nfs/dbraw/zinc/17/62/28/859176228.db2.gz RFINWYGUDJTJRX-OAHLLOKOSA-N -1 1 415.342 4.488 20 0 HIADMM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3cccc(Cl)c3Cl)cccc21 ZINC000432473666 859181144 /nfs/dbraw/zinc/18/11/44/859181144.db2.gz AHCDPKZYUMBEIH-AWEZNQCLSA-N -1 1 401.315 4.179 20 0 HIADMM Cc1c(Br)ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1F ZINC000432617576 859257391 /nfs/dbraw/zinc/25/73/91/859257391.db2.gz MULKBRWQQFKKPV-UHFFFAOYSA-N -1 1 401.232 4.318 20 0 HIADMM Cc1c(Br)ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1F ZINC000432642435 859268586 /nfs/dbraw/zinc/26/85/86/859268586.db2.gz HNMFZCAAERJRNF-UHFFFAOYSA-N -1 1 413.190 4.111 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1C ZINC000432647883 859271777 /nfs/dbraw/zinc/27/17/77/859271777.db2.gz WJZYSKRFKPWZQN-UHFFFAOYSA-N -1 1 415.437 4.042 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[n-]c1=O ZINC000432701362 859304396 /nfs/dbraw/zinc/30/43/96/859304396.db2.gz YNDNDFNGKCRVDY-ZRDIBKRKSA-N -1 1 418.375 4.124 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)cc1Cl ZINC000432763219 859342542 /nfs/dbraw/zinc/34/25/42/859342542.db2.gz NOIRCYQPZPQSAL-UHFFFAOYSA-N -1 1 422.934 4.130 20 0 HIADMM Cc1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c(C)n1 ZINC000432787343 859359881 /nfs/dbraw/zinc/35/98/81/859359881.db2.gz GGCAWKAEPPCYHJ-UHFFFAOYSA-N -1 1 400.070 4.181 20 0 HIADMM CC(C)c1cc(C(=O)Nc2cc([O-])c(Br)cc2Br)no1 ZINC000432792916 859361881 /nfs/dbraw/zinc/36/18/81/859361881.db2.gz NHWLEOZVWCAICW-UHFFFAOYSA-N -1 1 404.058 4.281 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3ccccc3C(C)C)c2)n1 ZINC000432899416 859417602 /nfs/dbraw/zinc/41/76/02/859417602.db2.gz VYRNUNZPIBASAG-UHFFFAOYSA-N -1 1 407.474 4.094 20 0 HIADMM CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Br)sc1Cl)c1cccnc1 ZINC000433435306 859700840 /nfs/dbraw/zinc/70/08/40/859700840.db2.gz RYXZSJRBDANTEB-NSHDSACASA-N -1 1 423.785 4.277 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)c1 ZINC000433529742 859758346 /nfs/dbraw/zinc/75/83/46/859758346.db2.gz UTKSUVFHFKBVLL-UHFFFAOYSA-N -1 1 406.507 4.253 20 0 HIADMM CC1(C)COc2c1cccc2C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000433528857 859758410 /nfs/dbraw/zinc/75/84/10/859758410.db2.gz FXGRAPOXLQHNNV-UHFFFAOYSA-N -1 1 422.506 4.410 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCOc2ccccc21)c1cc(Br)sc1Cl ZINC000433663021 859829358 /nfs/dbraw/zinc/82/93/58/859829358.db2.gz GJRZUDAFTLNTJX-SECBINFHSA-N -1 1 422.753 4.009 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000434226039 860210310 /nfs/dbraw/zinc/21/03/10/860210310.db2.gz OCKBJYOEWIGPAG-IRXDYDNUSA-N -1 1 420.918 4.134 20 0 HIADMM Cc1cc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000434334524 860295975 /nfs/dbraw/zinc/29/59/75/860295975.db2.gz RBSXDAPTDQPBQC-ZHRRBRCNSA-N -1 1 420.484 4.475 20 0 HIADMM CSCC[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000434381519 860323765 /nfs/dbraw/zinc/32/37/65/860323765.db2.gz BDENWWWEQXPGFK-OAHLLOKOSA-N -1 1 424.563 4.149 20 0 HIADMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C)c(NC(C)=O)c3)[nH]n2)cc1 ZINC000434966261 860578711 /nfs/dbraw/zinc/57/87/11/860578711.db2.gz JXEWVBZONDEGHJ-UHFFFAOYSA-N -1 1 412.515 4.097 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000434975342 860582887 /nfs/dbraw/zinc/58/28/87/860582887.db2.gz BEZOBAWHIIHEKT-OAQYLSRUSA-N -1 1 424.570 4.056 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000467751954 881560340 /nfs/dbraw/zinc/56/03/40/881560340.db2.gz IXOFEAOXPNUWRA-UHFFFAOYSA-N -1 1 421.858 4.319 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1 ZINC000435146097 860664644 /nfs/dbraw/zinc/66/46/44/860664644.db2.gz IYBIYQIHJYZWMH-UHFFFAOYSA-N -1 1 400.525 4.223 20 0 HIADMM CS[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1 ZINC000435389670 860781092 /nfs/dbraw/zinc/78/10/92/860781092.db2.gz NVMOLGOKNPTJRI-IBGZPJMESA-N -1 1 418.584 4.154 20 0 HIADMM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1OC ZINC000435426599 860796662 /nfs/dbraw/zinc/79/66/62/860796662.db2.gz IWSRQOJMGDQQER-JTQLQIEISA-N -1 1 422.305 4.059 20 0 HIADMM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1c(Cl)cc(F)cc1Cl ZINC000435432529 860797299 /nfs/dbraw/zinc/79/72/99/860797299.db2.gz JCOWWWLDJKLTMV-UHFFFAOYSA-N -1 1 400.262 4.001 20 0 HIADMM CCc1occc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000435469174 860809366 /nfs/dbraw/zinc/80/93/66/860809366.db2.gz TXFGQDXEVZJNNW-UHFFFAOYSA-N -1 1 406.410 4.173 20 0 HIADMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000435482738 860815064 /nfs/dbraw/zinc/81/50/64/860815064.db2.gz ICMUDUMGRNNRHH-UHFFFAOYSA-N -1 1 402.303 4.196 20 0 HIADMM Cc1ccc(NC(=O)C(C)(C)C2CCOCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000435524582 860841225 /nfs/dbraw/zinc/84/12/25/860841225.db2.gz AFDOTOQCTQSDLW-UHFFFAOYSA-N -1 1 416.543 4.187 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)c(C(F)(F)F)c2)cc1 ZINC000435718795 861003307 /nfs/dbraw/zinc/00/33/07/861003307.db2.gz GNLFMTNTECRUKW-UHFFFAOYSA-N -1 1 423.359 4.353 20 0 HIADMM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000435814132 861077982 /nfs/dbraw/zinc/07/79/82/861077982.db2.gz QKBFVNIUWMZNAN-SNVBAGLBSA-N -1 1 423.304 4.161 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)[C@@H]1CCCS1 ZINC000438064348 863439479 /nfs/dbraw/zinc/43/94/79/863439479.db2.gz JRASYAAIWSUIPH-INIZCTEOSA-N -1 1 414.911 4.114 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(Oc4ccccn4)c3)c3cccc1c23 ZINC000438712882 864193032 /nfs/dbraw/zinc/19/30/32/864193032.db2.gz BYBSBPSJPIREOL-UHFFFAOYSA-N -1 1 417.446 4.394 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)cc2)o1 ZINC000438727884 864211155 /nfs/dbraw/zinc/21/11/55/864211155.db2.gz SODCQUGGBYOINK-UHFFFAOYSA-N -1 1 411.405 4.427 20 0 HIADMM CCOc1cc(-c2noc(CCCOc3cccnc3)n2)cc(Br)c1[O-] ZINC000438745549 864233618 /nfs/dbraw/zinc/23/36/18/864233618.db2.gz MUSTXFRZKIJJOS-UHFFFAOYSA-N -1 1 420.263 4.010 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1 ZINC000438752292 864244035 /nfs/dbraw/zinc/24/40/35/864244035.db2.gz FRJIHKHQQPSXCU-UHFFFAOYSA-N -1 1 400.269 4.228 20 0 HIADMM Cc1ccc(-c2nnc3n2CCCCC3)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438790059 864283547 /nfs/dbraw/zinc/28/35/47/864283547.db2.gz HLISAJFYEFUMIG-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(OCC(F)(F)F)c1 ZINC000438798035 864289705 /nfs/dbraw/zinc/28/97/05/864289705.db2.gz WBDXTIDXCMFSHW-UHFFFAOYSA-N -1 1 423.796 4.089 20 0 HIADMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438808056 864299286 /nfs/dbraw/zinc/29/92/86/864299286.db2.gz IMJXOPWWHXHRJT-UHFFFAOYSA-N -1 1 411.483 4.217 20 0 HIADMM CCN(Cc1ccccn1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000439013538 864465158 /nfs/dbraw/zinc/46/51/58/864465158.db2.gz XDGQAMVRRBDHON-UHFFFAOYSA-N -1 1 423.538 4.162 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)C3(C)CC3)cc2)cc1 ZINC000439024768 864479056 /nfs/dbraw/zinc/47/90/56/864479056.db2.gz VNIFWQFJNXVENL-INIZCTEOSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000439025120 864479455 /nfs/dbraw/zinc/47/94/55/864479455.db2.gz HNOIDYAKKRVANH-HNNXBMFYSA-N -1 1 404.507 4.196 20 0 HIADMM C[C@@H](N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1(C)CC1 ZINC000439025505 864481416 /nfs/dbraw/zinc/48/14/16/864481416.db2.gz IYDGNJAVBVJOKV-CYBMUJFWSA-N -1 1 408.470 4.026 20 0 HIADMM COC(=O)c1cc(Br)cc([N-]S(=O)(=O)c2ccc(C)s2)c1Cl ZINC000439053241 864504352 /nfs/dbraw/zinc/50/43/52/864504352.db2.gz BRBSDCVXAKGPGA-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM O=C(NCc1cccc(NC(=O)c2ccc(O)cc2[O-])c1)Nc1ccccc1Cl ZINC000439055080 864506931 /nfs/dbraw/zinc/50/69/31/864506931.db2.gz HPHVLBUHYVOTML-UHFFFAOYSA-N -1 1 411.845 4.325 20 0 HIADMM CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000439066357 864519260 /nfs/dbraw/zinc/51/92/60/864519260.db2.gz DTNVXDUEAWPUPB-UHFFFAOYSA-N -1 1 406.486 4.153 20 0 HIADMM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000439563102 864887619 /nfs/dbraw/zinc/88/76/19/864887619.db2.gz OBPHRKKBRJAFFD-UHFFFAOYSA-N -1 1 401.509 4.047 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2C(F)(F)F)cc1 ZINC000467947537 881815541 /nfs/dbraw/zinc/81/55/41/881815541.db2.gz GAPWXSRGYQOFCF-UHFFFAOYSA-N -1 1 417.449 4.076 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)c(=O)[n-]1 ZINC000439996028 865302511 /nfs/dbraw/zinc/30/25/11/865302511.db2.gz DNWYNWICBDOAQO-QHCPKHFHSA-N -1 1 411.571 4.042 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)cc1 ZINC000440067665 865336969 /nfs/dbraw/zinc/33/69/69/865336969.db2.gz APYZWOHSBNNRFG-UHFFFAOYSA-N -1 1 402.463 4.087 20 0 HIADMM CC(C)c1cnc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000440212000 865448094 /nfs/dbraw/zinc/44/80/94/865448094.db2.gz CUWHQHCDIJEKPV-QGZVFWFLSA-N -1 1 409.511 4.369 20 0 HIADMM Cc1cc(Sc2ccccc2)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000468043889 881872558 /nfs/dbraw/zinc/87/25/58/881872558.db2.gz CAIOTXMQXSAUDX-UHFFFAOYSA-N -1 1 418.478 4.456 20 0 HIADMM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000440273489 865522244 /nfs/dbraw/zinc/52/22/44/865522244.db2.gz RUEZNPSTZIYWHH-ZDUSSCGKSA-N -1 1 423.738 4.327 20 0 HIADMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3c(Cl)ccc4ccccc43)cc2N1 ZINC000440293515 865546198 /nfs/dbraw/zinc/54/61/98/865546198.db2.gz FISVACRLSYCFAF-UHFFFAOYSA-N -1 1 404.850 4.318 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)CC[C@H]3C)ccc2C)c1 ZINC000440408058 865702912 /nfs/dbraw/zinc/70/29/12/865702912.db2.gz JZSVRZYZOQEALF-FUHWJXTLSA-N -1 1 400.544 4.365 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1Cl ZINC000440831689 865946283 /nfs/dbraw/zinc/94/62/83/865946283.db2.gz JXWNUCYXIDLOHF-UHFFFAOYSA-N -1 1 421.824 4.422 20 0 HIADMM COc1ccc(-c2cc3[n-]c(CN4CCCC[C@H](SC)C4)nc(=O)c3s2)cc1 ZINC000441127275 866221036 /nfs/dbraw/zinc/22/10/36/866221036.db2.gz ZOGRQCMPOAVIGE-INIZCTEOSA-N -1 1 415.584 4.378 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2OCCc3ccccc32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000442033925 867077409 /nfs/dbraw/zinc/07/74/09/867077409.db2.gz STZGNIPYXLGPHH-JOCHJYFZSA-N -1 1 422.506 4.048 20 0 HIADMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)ccc21 ZINC000442348192 867339472 /nfs/dbraw/zinc/33/94/72/867339472.db2.gz WESCZDKXHCVNLM-UHFFFAOYSA-N -1 1 421.522 4.317 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000442853492 867698967 /nfs/dbraw/zinc/69/89/67/867698967.db2.gz ZXHNRWQQVQSSEO-UHFFFAOYSA-N -1 1 401.937 4.021 20 0 HIADMM COc1cc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc(Cl)c1[O-] ZINC000442878015 867712008 /nfs/dbraw/zinc/71/20/08/867712008.db2.gz YELJQRBKWFSLGK-IBGZPJMESA-N -1 1 410.857 4.164 20 0 HIADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1)O[C@H](C)C2 ZINC000442969342 867769598 /nfs/dbraw/zinc/76/95/98/867769598.db2.gz ROEFPPZZGPYCJC-WHCBVINPSA-N -1 1 417.889 4.062 20 0 HIADMM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1cc(Br)sc1Cl ZINC000443095830 867818206 /nfs/dbraw/zinc/81/82/06/867818206.db2.gz RWLXQSDZMGAMIG-UHFFFAOYSA-N -1 1 419.753 4.166 20 0 HIADMM CCOc1cc(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)cc(Cl)c1[O-] ZINC000443105432 867820602 /nfs/dbraw/zinc/82/06/02/867820602.db2.gz WOSCSUKUFZQNHV-SFHVURJKSA-N -1 1 415.877 4.068 20 0 HIADMM COc1ccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c(OC2CCCC2)c1 ZINC000443287527 867891461 /nfs/dbraw/zinc/89/14/61/867891461.db2.gz KAWAEBTTWQANOX-UHFFFAOYSA-N -1 1 405.878 4.314 20 0 HIADMM CC[C@H](C)OCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000443381417 867943091 /nfs/dbraw/zinc/94/30/91/867943091.db2.gz COACHTZLOSDLKM-AWEZNQCLSA-N -1 1 410.923 4.203 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1 ZINC000443396117 867954469 /nfs/dbraw/zinc/95/44/69/867954469.db2.gz ANNGLIGCYDDMGX-QGZVFWFLSA-N -1 1 416.543 4.209 20 0 HIADMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000443399271 867957297 /nfs/dbraw/zinc/95/72/97/867957297.db2.gz MCVNDUWICVUPRA-UHFFFAOYSA-N -1 1 415.540 4.059 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)c1 ZINC000443400856 867959486 /nfs/dbraw/zinc/95/94/86/867959486.db2.gz AVIDYQNSIGLVDO-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM CC[C@@]1(C)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)C1 ZINC000468252957 882161658 /nfs/dbraw/zinc/16/16/58/882161658.db2.gz VBMWNZKDNDIBFS-QFIPXVFZSA-N -1 1 400.544 4.366 20 0 HIADMM O=S(=O)([N-]CCc1c[nH]c2ncccc12)c1c(Cl)cc(Cl)cc1Cl ZINC000443788603 868333277 /nfs/dbraw/zinc/33/32/77/868333277.db2.gz ZLFJGAWBQQOSJE-UHFFFAOYSA-N -1 1 404.706 4.044 20 0 HIADMM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1c(Cl)cccc1C(F)(F)F ZINC000443927996 868465892 /nfs/dbraw/zinc/46/58/92/868465892.db2.gz NXGVYLRHGNLADE-UHFFFAOYSA-N -1 1 404.841 4.111 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)n1 ZINC000443974161 868503512 /nfs/dbraw/zinc/50/35/12/868503512.db2.gz SEBJINISQPOGNH-UHFFFAOYSA-N -1 1 419.485 4.119 20 0 HIADMM COc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)ccc1F ZINC000444329616 868756465 /nfs/dbraw/zinc/75/64/65/868756465.db2.gz PKNDSTDECSZARI-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000444415083 868818891 /nfs/dbraw/zinc/81/88/91/868818891.db2.gz WXQHRZDOXWNQHG-GTNSWQLSSA-N -1 1 410.695 4.410 20 0 HIADMM CC[C@@H](C)[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(F)(F)F ZINC000444541586 868875091 /nfs/dbraw/zinc/87/50/91/868875091.db2.gz HWJXHCFIQXRMBG-DYVFJYSZSA-N -1 1 414.449 4.194 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444573083 868887124 /nfs/dbraw/zinc/88/71/24/868887124.db2.gz FJIPACFUIOTKTB-QFIPXVFZSA-N -1 1 422.488 4.274 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)n1 ZINC000444823102 869032184 /nfs/dbraw/zinc/03/21/84/869032184.db2.gz OHCQNODVDJPFMX-UHFFFAOYSA-N -1 1 419.485 4.060 20 0 HIADMM COc1cc(NC(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)ccc1[N-]S(C)(=O)=O ZINC000444855374 869058209 /nfs/dbraw/zinc/05/82/09/869058209.db2.gz GCMQDRAWXGGYFG-HUUCEWRRSA-N -1 1 411.568 4.183 20 0 HIADMM Cc1noc(C2CC2)c1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000444922896 869107268 /nfs/dbraw/zinc/10/72/68/869107268.db2.gz KHAXYWVWOZUKEB-UHFFFAOYSA-N -1 1 412.471 4.305 20 0 HIADMM COc1cc(-c2noc(-c3cccc([C@@H]4CCOC4)c3)n2)cc(Br)c1[O-] ZINC000445393871 869480007 /nfs/dbraw/zinc/48/00/07/869480007.db2.gz PYNYZOXSVJIPQH-CYBMUJFWSA-N -1 1 417.259 4.384 20 0 HIADMM O=C1c2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2C(=O)N1Cc1ccco1 ZINC000445446116 869527499 /nfs/dbraw/zinc/52/74/99/869527499.db2.gz COOQGGLLDBPZMH-UHFFFAOYSA-N -1 1 421.796 4.152 20 0 HIADMM [O-]c1ccc(-c2noc([C@H]3CCCN(c4ncnc5sccc54)C3)n2)c(Cl)c1 ZINC000445445661 869527819 /nfs/dbraw/zinc/52/78/19/869527819.db2.gz APWYAYUOALHUDY-NSHDSACASA-N -1 1 413.890 4.484 20 0 HIADMM O=C1[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000445454503 869532333 /nfs/dbraw/zinc/53/23/33/869532333.db2.gz GJEAIOCNDFACRJ-GFCCVEGCSA-N -1 1 408.216 4.409 20 0 HIADMM O=C(c1ccc(Cl)s1)N1CCC(c2nc(-c3ccc([O-])cc3F)no2)CC1 ZINC000445463596 869539448 /nfs/dbraw/zinc/53/94/48/869539448.db2.gz PLUGPIYUCQCLQT-UHFFFAOYSA-N -1 1 407.854 4.316 20 0 HIADMM O=C(Nc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1)[C@@H]1Cc2ccccc2O1 ZINC000445476770 869550343 /nfs/dbraw/zinc/55/03/43/869550343.db2.gz HWPQWVBFZMYEDG-FQEVSTJZSA-N -1 1 417.396 4.191 20 0 HIADMM [O-]c1ccc(-c2noc(-c3nn(-c4ccc(F)cc4)cc3Br)n2)cc1F ZINC000445479890 869551825 /nfs/dbraw/zinc/55/18/25/869551825.db2.gz HNEFOUACKYIEJG-UHFFFAOYSA-N -1 1 419.185 4.336 20 0 HIADMM O=C1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CN1c1cc(Cl)cc(Cl)c1 ZINC000445478486 869551978 /nfs/dbraw/zinc/55/19/78/869551978.db2.gz REIQWKGPFJWGQM-SNVBAGLBSA-N -1 1 408.216 4.409 20 0 HIADMM CCn1c(SCc2nc(-c3ccc([O-])c(F)c3)no2)nnc1-c1cccc(C)c1 ZINC000445481412 869552970 /nfs/dbraw/zinc/55/29/70/869552970.db2.gz ORQWUTHALGMWTN-UHFFFAOYSA-N -1 1 411.462 4.460 20 0 HIADMM [O-]c1ccc(-c2noc(-c3cnn(-c4ccc(Br)cc4)c3)n2)cc1F ZINC000445482200 869554615 /nfs/dbraw/zinc/55/46/15/869554615.db2.gz RPPDCAHDJLFUAS-UHFFFAOYSA-N -1 1 401.195 4.197 20 0 HIADMM Cc1c2ccccc2oc1-c1noc(CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000445503916 869568093 /nfs/dbraw/zinc/56/80/93/869568093.db2.gz LVMQJCVTUDYPEF-UHFFFAOYSA-N -1 1 413.437 4.442 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc([C@H]3CCCOC3)no2)cc1 ZINC000445526932 869583973 /nfs/dbraw/zinc/58/39/73/869583973.db2.gz CZEHNSFUNZFGGQ-AWEZNQCLSA-N -1 1 419.890 4.085 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3ccc4cc[nH]c4n3)no2)c1)c1ccccc1 ZINC000445577829 869638632 /nfs/dbraw/zinc/63/86/32/869638632.db2.gz XQROVPBCEVFKHC-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM CSc1cccnc1-c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000445621283 869685034 /nfs/dbraw/zinc/68/50/34/869685034.db2.gz PAIJICIRMURTKO-UHFFFAOYSA-N -1 1 424.507 4.321 20 0 HIADMM O=C(C[C@H]1CCCCO1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000445644234 869715735 /nfs/dbraw/zinc/71/57/35/869715735.db2.gz QEOKCIBSKPQFRT-QGZVFWFLSA-N -1 1 408.907 4.039 20 0 HIADMM COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(Cl)cc3Cl)no2)c([O-])c1 ZINC000445744087 869795381 /nfs/dbraw/zinc/79/53/81/869795381.db2.gz UARUUUIJVFIDEL-SNVBAGLBSA-N -1 1 422.268 4.178 20 0 HIADMM Cc1ocnc1-c1noc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n1 ZINC000445808420 869833368 /nfs/dbraw/zinc/83/33/68/869833368.db2.gz BEDAMKXUCAWCQN-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM CCc1noc(C)c1-c1noc(-c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000445816013 869838288 /nfs/dbraw/zinc/83/82/88/869838288.db2.gz RISRIWSYUHRMNS-UHFFFAOYSA-N -1 1 424.482 4.372 20 0 HIADMM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)n2)c(C)o1 ZINC000445831704 869850614 /nfs/dbraw/zinc/85/06/14/869850614.db2.gz CNHKHVCGGWCVMK-JTQLQIEISA-N -1 1 415.393 4.005 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(C3CC3)cn2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000445841624 869855053 /nfs/dbraw/zinc/85/50/53/869855053.db2.gz GSCIKARFSGSLDN-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM Cc1ccc(NC(=O)Cc2cccc(F)c2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000445843666 869855719 /nfs/dbraw/zinc/85/57/19/869855719.db2.gz STCGVUQJAYPJSY-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM CC(C)C[C@H](C)OCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000445849493 869857826 /nfs/dbraw/zinc/85/78/26/869857826.db2.gz LXKYREZPGZMDBD-KRWDZBQOSA-N -1 1 404.532 4.267 20 0 HIADMM C[C@@]1(c2ccccc2)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000446692277 870608213 /nfs/dbraw/zinc/60/82/13/870608213.db2.gz GYUOGCMGKUWCTQ-XMMPIXPASA-N -1 1 420.534 4.291 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)cc1 ZINC000446960222 870863209 /nfs/dbraw/zinc/86/32/09/870863209.db2.gz XPBPPOAWSFQSID-UHFFFAOYSA-N -1 1 424.526 4.036 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2noc(C(F)(F)F)n2)c1)c1cccc(Cl)c1 ZINC000447256570 871136300 /nfs/dbraw/zinc/13/63/00/871136300.db2.gz LENSJMWZWATLMR-UHFFFAOYSA-N -1 1 403.769 4.210 20 0 HIADMM Cc1nc([C@H](C)S(=O)(=O)c2nc(C(C)(C)C)n[n-]2)oc1-c1ccc(Cl)cc1 ZINC000447495540 871375522 /nfs/dbraw/zinc/37/55/22/871375522.db2.gz LMHKAIIPVOFJGG-NSHDSACASA-N -1 1 408.911 4.254 20 0 HIADMM Cc1nc([C@H](C)S(=O)(=O)c2n[n-]c(C(C)(C)C)n2)oc1-c1ccc(Cl)cc1 ZINC000447495540 871375541 /nfs/dbraw/zinc/37/55/41/871375541.db2.gz LMHKAIIPVOFJGG-NSHDSACASA-N -1 1 408.911 4.254 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccccc3SC(C)C)c2)n1 ZINC000447672263 871603763 /nfs/dbraw/zinc/60/37/63/871603763.db2.gz PGZSRQHPVPESGX-UHFFFAOYSA-N -1 1 424.526 4.079 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](CC(C)C)c3ccccc3)c2)n1 ZINC000447676756 871608659 /nfs/dbraw/zinc/60/86/59/871608659.db2.gz GFBFXCZWZSQLGK-HXUWFJFHSA-N -1 1 420.513 4.095 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@H](C)c3ccc(CC)cc3)c2)n1 ZINC000447682384 871613973 /nfs/dbraw/zinc/61/39/73/871613973.db2.gz YCHULIBPVIHDEW-INIZCTEOSA-N -1 1 420.513 4.021 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(OC(F)F)c(F)c1 ZINC000447898652 871808015 /nfs/dbraw/zinc/80/80/15/871808015.db2.gz XRJDWBPFYMKLHL-UHFFFAOYSA-N -1 1 407.320 4.042 20 0 HIADMM COc1cc(NC(=O)N[C@@H]2C[C@H](C(C)C)c3ccccc32)ccc1[N-]S(C)(=O)=O ZINC000447984239 871834451 /nfs/dbraw/zinc/83/44/51/871834451.db2.gz XGICQRNMGVOPEA-IEBWSBKVSA-N -1 1 417.531 4.073 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 ZINC000448041240 871874134 /nfs/dbraw/zinc/87/41/34/871874134.db2.gz CTTXVNLDVRBRID-INIZCTEOSA-N -1 1 414.527 4.095 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000448046618 871878294 /nfs/dbraw/zinc/87/82/94/871878294.db2.gz ZQDJUCFUZFVWBP-UHFFFAOYSA-N -1 1 414.508 4.394 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 ZINC000448512099 872495662 /nfs/dbraw/zinc/49/56/62/872495662.db2.gz KORRXJPHHMAPAS-UHFFFAOYSA-N -1 1 413.890 4.010 20 0 HIADMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1 ZINC000448549789 872556688 /nfs/dbraw/zinc/55/66/88/872556688.db2.gz ICBLZDADUFTFNU-UHFFFAOYSA-N -1 1 423.796 4.057 20 0 HIADMM CCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000448550870 872560220 /nfs/dbraw/zinc/56/02/20/872560220.db2.gz ZZPVOTAZPFIPLZ-UHFFFAOYSA-N -1 1 423.796 4.300 20 0 HIADMM COc1cc(C(=O)NCC2(c3ccccc3Br)CC2)cc(Cl)c1[O-] ZINC000460200908 872777302 /nfs/dbraw/zinc/77/73/02/872777302.db2.gz GTFCCFVLMMZLAI-UHFFFAOYSA-N -1 1 410.695 4.278 20 0 HIADMM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc(OCC(F)F)c2ccccc21 ZINC000460425221 873086889 /nfs/dbraw/zinc/08/68/89/873086889.db2.gz HOMVEDPNVCOUQM-UHFFFAOYSA-N -1 1 403.410 4.161 20 0 HIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)nc1-c1ccccc1 ZINC000460436431 873102773 /nfs/dbraw/zinc/10/27/73/873102773.db2.gz LJAQCWDESPXNAL-QAPCUYQASA-N -1 1 421.522 4.278 20 0 HIADMM CC(=O)N(c1nc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cs1)C1CC1 ZINC000460462035 873143735 /nfs/dbraw/zinc/14/37/35/873143735.db2.gz UOXNJTJNELLVQE-UHFFFAOYSA-N -1 1 412.540 4.422 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccc(F)cn4)no3)c2)cc1 ZINC000460648636 873388866 /nfs/dbraw/zinc/38/88/66/873388866.db2.gz LZNCLTBTGKMCSU-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(C)c1 ZINC000460710472 873494809 /nfs/dbraw/zinc/49/48/09/873494809.db2.gz SNKVHOJSDDZUKT-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@H]1Cc2ccccc21 ZINC000460710835 873498812 /nfs/dbraw/zinc/49/88/12/873498812.db2.gz UTQPMRUGEGXHKB-SFHVURJKSA-N -1 1 414.433 4.044 20 0 HIADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc(CSC(C)C)c1C ZINC000460819676 873702716 /nfs/dbraw/zinc/70/27/16/873702716.db2.gz JBSJEBZMHCKQQV-UHFFFAOYSA-N -1 1 423.556 4.073 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1OC ZINC000460823595 873707103 /nfs/dbraw/zinc/70/71/03/873707103.db2.gz JXXLFCYOCXUBQT-UHFFFAOYSA-N -1 1 409.479 4.274 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)ccc1F ZINC000460825506 873710454 /nfs/dbraw/zinc/71/04/54/873710454.db2.gz XSBAATGYPTVXJC-UHFFFAOYSA-N -1 1 410.442 4.045 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCCC(C)C)c2)cc1 ZINC000460826017 873710479 /nfs/dbraw/zinc/71/04/79/873710479.db2.gz BBCXYVPDQCXNCJ-UHFFFAOYSA-N -1 1 404.532 4.203 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cnn1-c1ccc(Cl)cc1 ZINC000460829393 873715110 /nfs/dbraw/zinc/71/51/10/873715110.db2.gz LWWFEINXCGTLMB-UHFFFAOYSA-N -1 1 401.797 4.052 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)cc1 ZINC000460828325 873715506 /nfs/dbraw/zinc/71/55/06/873715506.db2.gz NOXHXKKINCKBQW-UHFFFAOYSA-N -1 1 424.522 4.092 20 0 HIADMM Cc1ccc(C(=O)N2CCSCC2)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460834011 873720883 /nfs/dbraw/zinc/72/08/83/873720883.db2.gz SLIJWKFIWJRAKA-UHFFFAOYSA-N -1 1 418.584 4.108 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc(C)c1F ZINC000460842216 873731693 /nfs/dbraw/zinc/73/16/93/873731693.db2.gz JTRLRCMSVXQINH-INIZCTEOSA-N -1 1 404.507 4.258 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000461127333 874059068 /nfs/dbraw/zinc/05/90/68/874059068.db2.gz NPQIHBWQZVJROM-UHFFFAOYSA-N -1 1 406.935 4.175 20 0 HIADMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000461130157 874064777 /nfs/dbraw/zinc/06/47/77/874064777.db2.gz RSQHEJDDAYRDLL-UHFFFAOYSA-N -1 1 414.980 4.216 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000461151909 874099503 /nfs/dbraw/zinc/09/95/03/874099503.db2.gz IGCKMMZDZDSZKZ-KRWDZBQOSA-N -1 1 418.559 4.038 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000461266202 874274613 /nfs/dbraw/zinc/27/46/13/874274613.db2.gz RWCAUZTYQCJCLG-GUYCJALGSA-N -1 1 417.292 4.095 20 0 HIADMM O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)c1 ZINC000461331526 874341454 /nfs/dbraw/zinc/34/14/54/874341454.db2.gz HHVONKGJHGUVRV-UHFFFAOYSA-N -1 1 412.433 4.047 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C1CCC1 ZINC000461403464 874414228 /nfs/dbraw/zinc/41/42/28/874414228.db2.gz OZXJGXYIIKHQNO-UHFFFAOYSA-N -1 1 413.326 4.419 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000461418281 874438490 /nfs/dbraw/zinc/43/84/90/874438490.db2.gz JLGNZFMRNLFTIZ-UHFFFAOYSA-N -1 1 409.349 4.282 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000461435702 874487516 /nfs/dbraw/zinc/48/75/16/874487516.db2.gz KDCMREMLKWWOBB-LZHZSBQWSA-N -1 1 422.916 4.262 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000468738524 882836781 /nfs/dbraw/zinc/83/67/81/882836781.db2.gz MCLUBJLAWNJGTH-TZIWHRDSSA-N -1 1 402.498 4.096 20 0 HIADMM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1ccc(Br)c([O-])c1 ZINC000468744651 882838928 /nfs/dbraw/zinc/83/89/28/882838928.db2.gz RWVULHOJACDQNI-UHFFFAOYSA-N -1 1 424.092 4.329 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000461486514 874548211 /nfs/dbraw/zinc/54/82/11/874548211.db2.gz KSAZPSHCIMKUJD-MGPUTAFESA-N -1 1 402.491 4.031 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000461488670 874552694 /nfs/dbraw/zinc/55/26/94/874552694.db2.gz LOUVKXXKNJAGHT-OXJNMPFZSA-N -1 1 416.518 4.340 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000461501828 874576138 /nfs/dbraw/zinc/57/61/38/874576138.db2.gz FLKMMHGVIGCOKP-JLTOFOAXSA-N -1 1 420.481 4.170 20 0 HIADMM Cc1cccc(F)c1NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000461908544 875052383 /nfs/dbraw/zinc/05/23/83/875052383.db2.gz GDABGTXZVZQGFM-UHFFFAOYSA-N -1 1 413.474 4.257 20 0 HIADMM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1c(Cl)cccc1C(F)(F)F ZINC000462300394 875421377 /nfs/dbraw/zinc/42/13/77/875421377.db2.gz VIDOOBQMYCUUBY-UHFFFAOYSA-N -1 1 416.808 4.492 20 0 HIADMM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1 ZINC000462379800 875491346 /nfs/dbraw/zinc/49/13/46/875491346.db2.gz YMDUECHWISJFKW-UHFFFAOYSA-N -1 1 402.560 4.137 20 0 HIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000468902213 882955177 /nfs/dbraw/zinc/95/51/77/882955177.db2.gz HUTNUVPBAQQFTF-QGZVFWFLSA-N -1 1 401.388 4.309 20 0 HIADMM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000462599363 875714668 /nfs/dbraw/zinc/71/46/68/875714668.db2.gz QOEXZCVHMKWEQW-JTQLQIEISA-N -1 1 424.733 4.401 20 0 HIADMM CSc1cccc([C@@H]([N-]S(=O)(=O)c2c(C)noc2C)c2ccc(F)c(F)c2)c1 ZINC000462618426 875731716 /nfs/dbraw/zinc/73/17/16/875731716.db2.gz ROUZWSVGWJJZHJ-GOSISDBHSA-N -1 1 424.494 4.359 20 0 HIADMM O=C(Nc1ccc(F)c(F)c1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000468912701 882970849 /nfs/dbraw/zinc/97/08/49/882970849.db2.gz KMRWZPDWSAUYOM-UHFFFAOYSA-N -1 1 413.605 4.475 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(c4ccccc4F)C3)cc2)cc1 ZINC000462995004 876009249 /nfs/dbraw/zinc/00/92/49/876009249.db2.gz WEYJWFVOINOCRB-UHFFFAOYSA-N -1 1 424.497 4.175 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C ZINC000463049123 876077445 /nfs/dbraw/zinc/07/74/45/876077445.db2.gz QDNYCAKGIIVVNQ-HJPURHCSSA-N -1 1 416.525 4.315 20 0 HIADMM O=C(CCC1CCOCC1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000463239435 876294839 /nfs/dbraw/zinc/29/48/39/876294839.db2.gz WMYTXLLCXXCWKA-UHFFFAOYSA-N -1 1 422.934 4.286 20 0 HIADMM CCOc1c(F)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000463361960 876416338 /nfs/dbraw/zinc/41/63/38/876416338.db2.gz PDSDIRGTJRBMRN-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC000464045555 877186228 /nfs/dbraw/zinc/18/62/28/877186228.db2.gz IJJMBILOWNZBLF-MSOLQXFVSA-N -1 1 418.559 4.073 20 0 HIADMM CC(C)(C)c1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000464091231 877244813 /nfs/dbraw/zinc/24/48/13/877244813.db2.gz HVQKMHYKVFJOGM-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000464184141 877355315 /nfs/dbraw/zinc/35/53/15/877355315.db2.gz FVYXKQVWKPLZKL-VIFPVBQESA-N -1 1 402.822 4.384 20 0 HIADMM O=S(=O)([N-][C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cccc(F)c1F ZINC000503245669 912228312 /nfs/dbraw/zinc/22/83/12/912228312.db2.gz VKOWIFHOFLSUCN-QGZVFWFLSA-N -1 1 408.857 4.276 20 0 HIADMM O=C(NCCC1CC1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000464222784 877395636 /nfs/dbraw/zinc/39/56/36/877395636.db2.gz IDQLXBBSJRWGGA-UHFFFAOYSA-N -1 1 412.433 4.036 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCc3cccs3)cc2)cc1 ZINC000464350928 877544027 /nfs/dbraw/zinc/54/40/27/877544027.db2.gz IQCVZKJQEPZDRO-UHFFFAOYSA-N -1 1 414.552 4.172 20 0 HIADMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl ZINC000464536135 877751025 /nfs/dbraw/zinc/75/10/25/877751025.db2.gz GZRLJZVKEVDYRK-UHFFFAOYSA-N -1 1 403.287 4.151 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@H]1c1ccccc1 ZINC000464561207 877778596 /nfs/dbraw/zinc/77/85/96/877778596.db2.gz OWAUSURNYNBEAW-KSFYIVLOSA-N -1 1 424.497 4.460 20 0 HIADMM CCC(CC)(CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000464690501 877904924 /nfs/dbraw/zinc/90/49/24/877904924.db2.gz WDOGOSNAOOBBQN-UHFFFAOYSA-N -1 1 418.541 4.359 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000464697756 877912521 /nfs/dbraw/zinc/91/25/21/877912521.db2.gz BKNKYCFOLRWLKN-KRWDZBQOSA-N -1 1 420.600 4.366 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000464697319 877913581 /nfs/dbraw/zinc/91/35/81/877913581.db2.gz VGESUTWXIJHTLU-QGZVFWFLSA-N -1 1 420.600 4.366 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000464833547 878093153 /nfs/dbraw/zinc/09/31/53/878093153.db2.gz QWYFBKZVKZBSNK-UHFFFAOYSA-N -1 1 421.824 4.422 20 0 HIADMM Cc1ccc(NC(=O)c2ccncc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000465037562 878399612 /nfs/dbraw/zinc/39/96/12/878399612.db2.gz OWQFMFDMBIOXMY-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1C[C@@H]2CCC[C@H]2C1 ZINC000465084871 878448383 /nfs/dbraw/zinc/44/83/83/878448383.db2.gz NKYLQJKPILMQKV-HOTGVXAUSA-N -1 1 404.919 4.013 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000465090706 878455178 /nfs/dbraw/zinc/45/51/78/878455178.db2.gz NJXMAHCRUVZLGR-IRXDYDNUSA-N -1 1 418.946 4.321 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000503381122 912363580 /nfs/dbraw/zinc/36/35/80/912363580.db2.gz BDOJFZKUZBJWRR-SFHVURJKSA-N -1 1 419.547 4.366 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000465293991 878732721 /nfs/dbraw/zinc/73/27/21/878732721.db2.gz DZSMGSFNOQNGAP-KBXCAEBGSA-N -1 1 406.935 4.401 20 0 HIADMM CC(C)C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000465313662 878759534 /nfs/dbraw/zinc/75/95/34/878759534.db2.gz FXXZZASZHRKFTE-MRXNPFEDSA-N -1 1 404.507 4.135 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000465335761 878774557 /nfs/dbraw/zinc/77/45/57/878774557.db2.gz YFHIHAAARXJPIA-UHFFFAOYSA-N -1 1 406.486 4.159 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(F)F)cc2)c(C)c1C ZINC000465392275 878831829 /nfs/dbraw/zinc/83/18/29/878831829.db2.gz OUXJPRFLBOVSSL-UHFFFAOYSA-N -1 1 410.486 4.024 20 0 HIADMM CC[C@H](C)C[C@@H](C)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466170530 879871917 /nfs/dbraw/zinc/87/19/17/879871917.db2.gz SNQKUXOFVZDUNG-ZWKOTPCHSA-N -1 1 417.575 4.454 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)c3nccn3C)cc2)cc1 ZINC000467082561 880853813 /nfs/dbraw/zinc/85/38/13/880853813.db2.gz CHBXDCWNLSZTKS-UHFFFAOYSA-N -1 1 411.527 4.140 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCC12CCC2 ZINC000467305792 881055164 /nfs/dbraw/zinc/05/51/64/881055164.db2.gz DWTTWJIXHZPWNV-UHFFFAOYSA-N -1 1 408.882 4.049 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@]3(C)CCCS3)cc2)c1C ZINC000467320921 881067925 /nfs/dbraw/zinc/06/79/25/881067925.db2.gz HWQOMVYIQHJFJY-OAQYLSRUSA-N -1 1 418.584 4.120 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@]2(C)CCCS2)c1 ZINC000467319950 881068787 /nfs/dbraw/zinc/06/87/87/881068787.db2.gz QPVHTPYVJGWVFF-NRFANRHFSA-N -1 1 418.584 4.120 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccccc2C(C)C)c1-c1ccc2c(c1)OCCO2 ZINC000469084950 883171811 /nfs/dbraw/zinc/17/18/11/883171811.db2.gz WDURLGWMFVRXPL-UHFFFAOYSA-N -1 1 413.499 4.081 20 0 HIADMM Cc1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(C)s1 ZINC000469154763 883253009 /nfs/dbraw/zinc/25/30/09/883253009.db2.gz YKUHXYUPSANMGL-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000469502232 883748396 /nfs/dbraw/zinc/74/83/96/883748396.db2.gz VOYNPYUZLQTUFR-DOTOQJQBSA-N -1 1 404.507 4.069 20 0 HIADMM O=C(Nc1ccc2n[nH]cc2c1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469517235 883780373 /nfs/dbraw/zinc/78/03/73/883780373.db2.gz MYQQQSMVRGPEAG-UHFFFAOYSA-N -1 1 417.650 4.073 20 0 HIADMM COCc1ccccc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469522036 883791834 /nfs/dbraw/zinc/79/18/34/883791834.db2.gz MTNRUVRDHKCXGH-UHFFFAOYSA-N -1 1 421.678 4.343 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)cc1NC(C)C ZINC000469695861 883876729 /nfs/dbraw/zinc/87/67/29/883876729.db2.gz YUDRIQLIOQGJPK-UHFFFAOYSA-N -1 1 409.465 4.083 20 0 HIADMM Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000469816024 883993718 /nfs/dbraw/zinc/99/37/18/883993718.db2.gz KPYVMGKVIMVSSQ-UHFFFAOYSA-N -1 1 422.229 4.488 20 0 HIADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1)C(F)(F)F ZINC000469909863 884097488 /nfs/dbraw/zinc/09/74/88/884097488.db2.gz NWMNCNZLQAZTEM-KRWDZBQOSA-N -1 1 414.449 4.175 20 0 HIADMM O=C(Nc1cccc(OCCF)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000470240049 884567563 /nfs/dbraw/zinc/56/75/63/884567563.db2.gz YRYYZGMSLJGDFP-UHFFFAOYSA-N -1 1 414.458 4.088 20 0 HIADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)c1 ZINC000470457583 884852360 /nfs/dbraw/zinc/85/23/60/884852360.db2.gz FYRINRXSKYSNFO-UHFFFAOYSA-N -1 1 414.483 4.163 20 0 HIADMM Cc1coc(-c2ccc(C)c(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)c2)n1 ZINC000470777625 885247044 /nfs/dbraw/zinc/24/70/44/885247044.db2.gz YITLLDJTIXDCGM-UHFFFAOYSA-N -1 1 415.453 4.006 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000470807740 885297922 /nfs/dbraw/zinc/29/79/22/885297922.db2.gz HHWGKHBWFPGMIP-UHFFFAOYSA-N -1 1 407.518 4.027 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)C1=CCCC1 ZINC000471167341 885724206 /nfs/dbraw/zinc/72/42/06/885724206.db2.gz CWYZCXZNGXBCIW-UHFFFAOYSA-N -1 1 421.316 4.299 20 0 HIADMM Cc1ccc(NC(=O)C2(C)CC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000471173202 885731961 /nfs/dbraw/zinc/73/19/61/885731961.db2.gz NIVCGERKHDCZDQ-UHFFFAOYSA-N -1 1 423.332 4.297 20 0 HIADMM CCO[C@@H](CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000471234843 885809701 /nfs/dbraw/zinc/80/97/01/885809701.db2.gz CTHSRZFPJBPXCO-FQEVSTJZSA-N -1 1 404.532 4.186 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CC3(C)C)cc2)c1C ZINC000471713538 886424091 /nfs/dbraw/zinc/42/40/91/886424091.db2.gz GUQNPMXPSXYADD-OAHLLOKOSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(F)cc3Cl)n2)cc1F ZINC000471869585 886646430 /nfs/dbraw/zinc/64/64/30/886646430.db2.gz KQZZLYFEEBQQHQ-SNVBAGLBSA-N -1 1 413.833 4.016 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000471948328 886752571 /nfs/dbraw/zinc/75/25/71/886752571.db2.gz KWQYKAZNQVTPSP-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472060887 886870296 /nfs/dbraw/zinc/87/02/96/886870296.db2.gz YXRGXGYNYRFLKQ-QRQCRPRQSA-N -1 1 420.488 4.234 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]3Cc3ccccc3)c2)cc1 ZINC000472169282 886968483 /nfs/dbraw/zinc/96/84/83/886968483.db2.gz FCTWWVZAKHERHZ-JOCHJYFZSA-N -1 1 420.534 4.253 20 0 HIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c1OC ZINC000472490530 887356854 /nfs/dbraw/zinc/35/68/54/887356854.db2.gz YGNLBEQMLAKVRH-UHFFFAOYSA-N -1 1 411.817 4.406 20 0 HIADMM CCCCn1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)n1 ZINC000472723726 887571069 /nfs/dbraw/zinc/57/10/69/887571069.db2.gz MJEFLABLWPKKRY-UHFFFAOYSA-N -1 1 412.515 4.045 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cncs1 ZINC000473191087 887970223 /nfs/dbraw/zinc/97/02/23/887970223.db2.gz WLYIRCQKWWFRLV-LBPRGKRZSA-N -1 1 421.931 4.088 20 0 HIADMM CCc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000473378125 888094130 /nfs/dbraw/zinc/09/41/30/888094130.db2.gz VURWKQSWRFHNPY-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc4oc(C)nc4c3)cc2c1C ZINC000473494224 888216767 /nfs/dbraw/zinc/21/67/67/888216767.db2.gz YCFXDRQCYMJQLM-UHFFFAOYSA-N -1 1 414.439 4.168 20 0 HIADMM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1ccc(Cl)c(F)c1Cl ZINC000473859981 888712114 /nfs/dbraw/zinc/71/21/14/888712114.db2.gz QHJMDBQHPPCWAO-UHFFFAOYSA-N -1 1 401.246 4.266 20 0 HIADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)sc1Cl ZINC000473863009 888717838 /nfs/dbraw/zinc/71/78/38/888717838.db2.gz NNQYVOLSNULLNF-JTQLQIEISA-N -1 1 415.899 4.247 20 0 HIADMM COC(=O)Cc1ccc(Oc2ccnc(-c3nc4scc(C)c4c(=O)[n-]3)c2)cc1 ZINC000504489849 913280083 /nfs/dbraw/zinc/28/00/83/913280083.db2.gz SKBXFEFWUPYDRA-UHFFFAOYSA-N -1 1 407.451 4.275 20 0 HIADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000473933582 888811971 /nfs/dbraw/zinc/81/19/71/888811971.db2.gz SSYISCSKVGRJPH-INIZCTEOSA-N -1 1 410.495 4.026 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000474292300 889157779 /nfs/dbraw/zinc/15/77/79/889157779.db2.gz VEIDHFDATIMDFX-UHFFFAOYSA-N -1 1 400.331 4.227 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000474307153 889172277 /nfs/dbraw/zinc/17/22/77/889172277.db2.gz JGJGQWFXMQJQGT-MUUNZHRXSA-N -1 1 403.548 4.088 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)cc1 ZINC000474438944 889303838 /nfs/dbraw/zinc/30/38/38/889303838.db2.gz YJJIOHUBDKNGRY-UHFFFAOYSA-N -1 1 418.563 4.130 20 0 HIADMM C[C@H]1CC[C@@H](CC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000474548574 889424638 /nfs/dbraw/zinc/42/46/38/889424638.db2.gz RVGDAIQOMPGEHZ-DOTOQJQBSA-N -1 1 404.507 4.069 20 0 HIADMM CC(C)c1cc([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)[nH]n1 ZINC000474594933 889463366 /nfs/dbraw/zinc/46/33/66/889463366.db2.gz NYWLPWGHRRQWGY-UHFFFAOYSA-N -1 1 413.124 4.403 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474877459 889731725 /nfs/dbraw/zinc/73/17/25/889731725.db2.gz ZGLUUVRTLVVILP-OAHLLOKOSA-N -1 1 423.435 4.021 20 0 HIADMM C[C@@H](Sc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000504658328 913400121 /nfs/dbraw/zinc/40/01/21/913400121.db2.gz RXACWOAYKLOCRD-SNVBAGLBSA-N -1 1 405.419 4.071 20 0 HIADMM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC000504702648 913437005 /nfs/dbraw/zinc/43/70/05/913437005.db2.gz IEVQVBZCHCHZKX-CQSZACIVSA-N -1 1 424.588 4.348 20 0 HIADMM CCCCN(C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@@H](C)c1ccccc1 ZINC000475384867 890312882 /nfs/dbraw/zinc/31/28/82/890312882.db2.gz AOJFABYNKMEJLB-INIZCTEOSA-N -1 1 419.547 4.462 20 0 HIADMM COc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000475390025 890315806 /nfs/dbraw/zinc/31/58/06/890315806.db2.gz MSBHWRVPZZDGJG-LJQANCHMSA-N -1 1 417.531 4.134 20 0 HIADMM CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000475536619 890462464 /nfs/dbraw/zinc/46/24/64/890462464.db2.gz JFEPTMRWPXZYMU-XLIONFOSSA-N -1 1 400.544 4.320 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1nc(C(F)(F)F)cs1 ZINC000475759503 890707096 /nfs/dbraw/zinc/70/70/96/890707096.db2.gz QTDIMNRNUIIFQP-JTQLQIEISA-N -1 1 400.394 4.178 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)c(C)c1C ZINC000475818870 890753344 /nfs/dbraw/zinc/75/33/44/890753344.db2.gz CWFVSCFYYNCKLA-UHFFFAOYSA-N -1 1 406.401 4.226 20 0 HIADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1Cl ZINC000475820538 890754871 /nfs/dbraw/zinc/75/48/71/890754871.db2.gz VZZALOQSLLERST-UHFFFAOYSA-N -1 1 408.888 4.051 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)cc1 ZINC000475831960 890765376 /nfs/dbraw/zinc/76/53/76/890765376.db2.gz ONJDFKPLQVJTMB-UHFFFAOYSA-N -1 1 411.348 4.254 20 0 HIADMM CC[C@@H](CSc1ccccc1)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000504769253 913502265 /nfs/dbraw/zinc/50/22/65/913502265.db2.gz FHWPHAUBIISVPV-SFHVURJKSA-N -1 1 422.554 4.172 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CC(=O)c3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000476054074 890983533 /nfs/dbraw/zinc/98/35/33/890983533.db2.gz YSPFRJSCXURXQF-FQEVSTJZSA-N -1 1 420.490 4.105 20 0 HIADMM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000476127643 891050149 /nfs/dbraw/zinc/05/01/49/891050149.db2.gz BBJHWRHZOBFCGT-IFMALSPDSA-N -1 1 416.525 4.280 20 0 HIADMM Cc1cccc(F)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000476210587 891140430 /nfs/dbraw/zinc/14/04/30/891140430.db2.gz NDHNKDHTNTVUHN-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000476251449 891175560 /nfs/dbraw/zinc/17/55/60/891175560.db2.gz KYBUJDPVEGNWGO-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cc(Br)ccc1F ZINC000476374241 891289122 /nfs/dbraw/zinc/28/91/22/891289122.db2.gz FYVFJVAJXAAYQX-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3n[nH]c4ccc(F)cc43)c2)cc1 ZINC000476400406 891316596 /nfs/dbraw/zinc/31/65/96/891316596.db2.gz CGAGIOGAUNWCEC-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)c1 ZINC000476411951 891325147 /nfs/dbraw/zinc/32/51/47/891325147.db2.gz PYIKNDZQUVGRFR-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2C)cc1 ZINC000476413817 891328191 /nfs/dbraw/zinc/32/81/91/891328191.db2.gz VXEHRCCBKQDTCU-UHFFFAOYSA-N -1 1 410.495 4.333 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)c1 ZINC000476427491 891340517 /nfs/dbraw/zinc/34/05/17/891340517.db2.gz ZLJXFRRPUWMQNN-HZPDHXFCSA-N -1 1 418.534 4.361 20 0 HIADMM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)cc1O ZINC000476436532 891346984 /nfs/dbraw/zinc/34/69/84/891346984.db2.gz OAMIPNLXWGQSAG-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM COc1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)ccc1F ZINC000477323012 892288375 /nfs/dbraw/zinc/28/83/75/892288375.db2.gz PZACOIXCIGEGFW-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccn(C2CCCC2)n1 ZINC000477329056 892298780 /nfs/dbraw/zinc/29/87/80/892298780.db2.gz GHJSCVWVSHMQDQ-UHFFFAOYSA-N -1 1 410.499 4.051 20 0 HIADMM C[C@@H](CC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000477353502 892319297 /nfs/dbraw/zinc/31/92/97/892319297.db2.gz NLAPKUGXVWDEOP-HNNXBMFYSA-N -1 1 406.523 4.315 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC=C(c3cccc(Cl)c3)CC2)c(=O)[n-]1 ZINC000477385509 892345110 /nfs/dbraw/zinc/34/51/10/892345110.db2.gz VBSZVRYRWGPHPU-UHFFFAOYSA-N -1 1 403.935 4.114 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c(C(F)(F)F)c1 ZINC000477498147 892501641 /nfs/dbraw/zinc/50/16/41/892501641.db2.gz IIZCWXYJQXAUQU-UHFFFAOYSA-N -1 1 424.803 4.398 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)o1 ZINC000477800326 892874576 /nfs/dbraw/zinc/87/45/76/892874576.db2.gz XVQIKKDXWYHTDZ-UHFFFAOYSA-N -1 1 424.950 4.030 20 0 HIADMM CC(C)c1ccc([C@H](NC(=O)CN2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C(C)C)cc1 ZINC000477870308 892930972 /nfs/dbraw/zinc/93/09/72/892930972.db2.gz ZLDIBACKUGPGPF-VVSUKSJXSA-N -1 1 400.563 4.341 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC(C2CCCC2)C1 ZINC000477920397 893005407 /nfs/dbraw/zinc/00/54/07/893005407.db2.gz YHFNZPFHDBAORW-UHFFFAOYSA-N -1 1 416.518 4.197 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccc(Br)cc2)n1)c1ccc([O-])cc1 ZINC000478020655 893137878 /nfs/dbraw/zinc/13/78/78/893137878.db2.gz OGMCFULDCAZFNU-UHFFFAOYSA-N -1 1 410.314 4.252 20 0 HIADMM CC[C@@H]1CCc2c(sc3nc(-c4ccc(S(=O)(=O)CC)cc4)[n-]c(=O)c32)C1 ZINC000478221476 893383544 /nfs/dbraw/zinc/38/35/44/893383544.db2.gz BZXGDNAKERFDAY-GFCCVEGCSA-N -1 1 402.541 4.372 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCC(C)(C)C3)cc2)cc1 ZINC000478241812 893408168 /nfs/dbraw/zinc/40/81/68/893408168.db2.gz WWNXIVHIILHSQU-SFHVURJKSA-N -1 1 416.543 4.147 20 0 HIADMM CCN(CC1CCC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000478274338 893471642 /nfs/dbraw/zinc/47/16/42/893471642.db2.gz CHRSKFXOYHHAIA-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC3CCC3)cc2)cc1 ZINC000478308248 893530451 /nfs/dbraw/zinc/53/04/51/893530451.db2.gz FYCSVVDAUAHCRT-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(Br)o1 ZINC000478446833 893758594 /nfs/dbraw/zinc/75/85/94/893758594.db2.gz GEQKIBSBVUCUSE-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM CO[C@@H](C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000478529053 893832889 /nfs/dbraw/zinc/83/28/89/893832889.db2.gz LRNAEVRUUBINHJ-OAQYLSRUSA-N -1 1 410.495 4.122 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N(CC1CC1)C1CCC1 ZINC000478625626 893883044 /nfs/dbraw/zinc/88/30/44/893883044.db2.gz VJSATCDFMSXJDM-UHFFFAOYSA-N -1 1 420.481 4.170 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cnc(C(C)C)nc2)c1 ZINC000478651514 893896056 /nfs/dbraw/zinc/89/60/56/893896056.db2.gz KOXCQJOJMTUATA-UHFFFAOYSA-N -1 1 424.526 4.270 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(F)cc1-c1cnn(C)c1 ZINC000478670784 893921003 /nfs/dbraw/zinc/92/10/03/893921003.db2.gz BVXIUCMQXRDGGQ-UHFFFAOYSA-N -1 1 424.295 4.098 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2c(OC)ccc(Cl)c2C(=O)[O-])c2ccccc12 ZINC000505124697 913829749 /nfs/dbraw/zinc/82/97/49/913829749.db2.gz NOTRJPHQPITTSJ-UHFFFAOYSA-N -1 1 421.858 4.009 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]3c3ccccc3)cc2)cc1 ZINC000478824216 894098479 /nfs/dbraw/zinc/09/84/79/894098479.db2.gz ABQOYTQSCFAFLB-JOCHJYFZSA-N -1 1 406.507 4.383 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000505142661 913839318 /nfs/dbraw/zinc/83/93/18/913839318.db2.gz NCDFHRSGDKLQBM-HNNXBMFYSA-N -1 1 422.554 4.473 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC[C@@H](C)C2)c1 ZINC000479260420 894529196 /nfs/dbraw/zinc/52/91/96/894529196.db2.gz RXILBEQCRFRGCY-MRXNPFEDSA-N -1 1 400.544 4.366 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CC2CCC2)c2ccccc2)o1 ZINC000479376626 894678910 /nfs/dbraw/zinc/67/89/10/894678910.db2.gz OINYYDAZFOMODQ-QGZVFWFLSA-N -1 1 404.532 4.018 20 0 HIADMM O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479499077 894816775 /nfs/dbraw/zinc/81/67/75/894816775.db2.gz RXLCZGYMOHUXBB-UHFFFAOYSA-N -1 1 423.519 4.027 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4ncsc4c3)c2)n1 ZINC000479517166 894828586 /nfs/dbraw/zinc/82/85/86/894828586.db2.gz WDWQNQLBHOYAPH-UHFFFAOYSA-N -1 1 400.485 4.018 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1NC(=O)c1ccncc1 ZINC000479526817 894834853 /nfs/dbraw/zinc/83/48/53/894834853.db2.gz XKELGEXHMDDSLS-UHFFFAOYSA-N -1 1 424.507 4.053 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc3ncsc3c2)cccc1OCC(F)(F)F ZINC000479526425 894835096 /nfs/dbraw/zinc/83/50/96/894835096.db2.gz MJJSCIIIOXIMDE-UHFFFAOYSA-N -1 1 402.419 4.347 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccco2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000479822218 895137598 /nfs/dbraw/zinc/13/75/98/895137598.db2.gz JPIYCJZZICUKTQ-UHFFFAOYSA-N -1 1 404.875 4.223 20 0 HIADMM O=C(Cc1ccco1)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000479848647 895179530 /nfs/dbraw/zinc/17/95/30/895179530.db2.gz KXIJTVUZTSUKFC-UHFFFAOYSA-N -1 1 424.400 4.280 20 0 HIADMM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1nc2nc(C)c(Br)cc2[n-]1 ZINC000480003085 895355856 /nfs/dbraw/zinc/35/58/56/895355856.db2.gz FCCFGSFQSJAQFS-AWEZNQCLSA-N -1 1 412.284 4.093 20 0 HIADMM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1nc2cc(Br)c(C)[n-]c-2n1 ZINC000480003085 895355888 /nfs/dbraw/zinc/35/58/88/895355888.db2.gz FCCFGSFQSJAQFS-AWEZNQCLSA-N -1 1 412.284 4.093 20 0 HIADMM COCCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000480155219 895540555 /nfs/dbraw/zinc/54/05/55/895540555.db2.gz UUNRIPGOABIQJX-CQSZACIVSA-N -1 1 410.923 4.142 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c(=O)[n-]1 ZINC000480196327 895592805 /nfs/dbraw/zinc/59/28/05/895592805.db2.gz IPRWCYDMQVJWMJ-LBPRGKRZSA-N -1 1 420.604 4.391 20 0 HIADMM CC(C)c1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cnn1-c1ccccc1Cl ZINC000480217614 895620845 /nfs/dbraw/zinc/62/08/45/895620845.db2.gz AYGQRMAWPWMUAM-UHFFFAOYSA-N -1 1 419.890 4.148 20 0 HIADMM O=S(=O)([N-]c1cccc(OC[C@H]2CCCO2)c1)c1ccc(CC(F)(F)F)cc1 ZINC000480221891 895626597 /nfs/dbraw/zinc/62/65/97/895626597.db2.gz ICLSOTWCKIGWFT-QGZVFWFLSA-N -1 1 415.433 4.150 20 0 HIADMM CC(C)[C@@H]1N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1(C)C ZINC000480321833 895723173 /nfs/dbraw/zinc/72/31/73/895723173.db2.gz WTBZUCUXOQNFMU-IBGZPJMESA-N -1 1 404.507 4.133 20 0 HIADMM CCS[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000480365224 895772364 /nfs/dbraw/zinc/77/23/64/895772364.db2.gz JXXVGGKULISIIP-IBGZPJMESA-N -1 1 418.584 4.235 20 0 HIADMM CC[C@H](C)n1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000480378544 895785394 /nfs/dbraw/zinc/78/53/94/895785394.db2.gz SXHSRKCCZHNITJ-HNNXBMFYSA-N -1 1 412.515 4.216 20 0 HIADMM COC1CCC(C)(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000480425878 895820665 /nfs/dbraw/zinc/82/06/65/895820665.db2.gz HEJBDDDWKMZTOG-UHFFFAOYSA-N -1 1 416.790 4.038 20 0 HIADMM COc1cc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc(Cl)c1[O-] ZINC000480429752 895824311 /nfs/dbraw/zinc/82/43/11/895824311.db2.gz ZGGJBQWMSWVGPW-GDBMZVCRSA-N -1 1 416.688 4.091 20 0 HIADMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000480510572 895878919 /nfs/dbraw/zinc/87/89/19/895878919.db2.gz IFNPMULBPDEERX-UHFFFAOYSA-N -1 1 409.496 4.441 20 0 HIADMM CCn1c(C)cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000480569397 895929399 /nfs/dbraw/zinc/92/93/99/895929399.db2.gz YBEBIQZBWSVWBO-UHFFFAOYSA-N -1 1 411.527 4.486 20 0 HIADMM COc1ccc(F)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000480595538 895957851 /nfs/dbraw/zinc/95/78/51/895957851.db2.gz PYLGANLTZYBTGD-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000481006398 896336867 /nfs/dbraw/zinc/33/68/67/896336867.db2.gz BPDQAEIDNGAVOK-RBUKOAKNSA-N -1 1 422.547 4.031 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C(F)F)cc2)cc1C ZINC000505430919 914095328 /nfs/dbraw/zinc/09/53/28/914095328.db2.gz KTNVNHZGJXHPMR-LJQANCHMSA-N -1 1 422.497 4.364 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(F)F)cc1 ZINC000505436887 914099784 /nfs/dbraw/zinc/09/97/84/914099784.db2.gz RMXKRHVCPJWYQF-SFHVURJKSA-N -1 1 408.470 4.056 20 0 HIADMM CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc([O-])c(NC(C)=O)c3)ccc21 ZINC000481469179 896859763 /nfs/dbraw/zinc/85/97/63/896859763.db2.gz ZDKVPXSXCPTWGS-UHFFFAOYSA-N -1 1 423.494 4.279 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3)cc2)ccc1[O-] ZINC000481592457 896972090 /nfs/dbraw/zinc/97/20/90/896972090.db2.gz CPSDNJQGOSAJSF-UHFFFAOYSA-N -1 1 416.430 4.083 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)cc1Cl ZINC000481955575 897344307 /nfs/dbraw/zinc/34/43/07/897344307.db2.gz HJFXIWFVTXVHJU-UHFFFAOYSA-N -1 1 418.849 4.052 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1Cl ZINC000481959443 897349076 /nfs/dbraw/zinc/34/90/76/897349076.db2.gz AIJBQPQERIHCIB-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C)cc1Cl ZINC000481966215 897356966 /nfs/dbraw/zinc/35/69/66/897356966.db2.gz GUGSKPCRFLIHCB-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM COc1ccc2c(c1NC(=O)c1cccc([N-]S(=O)(=O)c3ccccc3)c1)CCC2 ZINC000482031466 897441745 /nfs/dbraw/zinc/44/17/45/897441745.db2.gz GCSFQPGUZHKXHD-UHFFFAOYSA-N -1 1 422.506 4.237 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCO[C@H]1c1ccccc1)c1c(Cl)cc(F)cc1Cl ZINC000482246799 897728256 /nfs/dbraw/zinc/72/82/56/897728256.db2.gz RGPNXOWVFQEUAW-LRDDRELGSA-N -1 1 404.290 4.189 20 0 HIADMM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000482256763 897738630 /nfs/dbraw/zinc/73/86/30/897738630.db2.gz CBVHGXZEYOGROP-OALUTQOASA-N -1 1 418.584 4.282 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)c1 ZINC000482539262 898126749 /nfs/dbraw/zinc/12/67/49/898126749.db2.gz VWJMLWOOPMEFHA-HXUWFJFHSA-N -1 1 417.303 4.097 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CSCc2cn3cc(C)ccc3n2)c1 ZINC000482573619 898169104 /nfs/dbraw/zinc/16/91/04/898169104.db2.gz FRMLXQZSVRHGJR-UHFFFAOYSA-N -1 1 420.332 4.291 20 0 HIADMM COc1ccc(C(=O)CCCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482658742 898262085 /nfs/dbraw/zinc/26/20/85/898262085.db2.gz NQDNZMQNESMVRM-UHFFFAOYSA-N -1 1 406.276 4.463 20 0 HIADMM Cc1ccc(NC(=O)CSCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482674639 898277090 /nfs/dbraw/zinc/27/70/90/898277090.db2.gz OZQFUCFTVXRIOP-UHFFFAOYSA-N -1 1 423.332 4.082 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c1 ZINC000482736745 898338134 /nfs/dbraw/zinc/33/81/34/898338134.db2.gz PHQHPLNCOJBHSR-SFHVURJKSA-N -1 1 419.300 4.031 20 0 HIADMM C[C@@H]1CCSCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000482940478 898563302 /nfs/dbraw/zinc/56/33/02/898563302.db2.gz DETHKIYWSRKFCQ-CQSZACIVSA-N -1 1 424.975 4.108 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCSCC[C@@H]3C)c2)c1 ZINC000482948450 898574297 /nfs/dbraw/zinc/57/42/97/898574297.db2.gz OPJYGVKFLMLOQL-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cc(Cl)c([O-])c(OCC)c2)n1 ZINC000482952212 898580978 /nfs/dbraw/zinc/58/09/78/898580978.db2.gz XKZYADBVLLQHKD-CQSZACIVSA-N -1 1 424.906 4.055 20 0 HIADMM Cc1ccccc1COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000483141866 898821919 /nfs/dbraw/zinc/82/19/19/898821919.db2.gz UVUIJDCVJRMQKE-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2o1 ZINC000483422158 899052111 /nfs/dbraw/zinc/05/21/11/899052111.db2.gz VXUGVCQUDJBHPW-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM O=C(Nc1cccc(COCc2ccco2)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000483704859 899359591 /nfs/dbraw/zinc/35/95/91/899359591.db2.gz GWNOHBQDTCTPHE-UHFFFAOYSA-N -1 1 401.422 4.203 20 0 HIADMM CCN(CC1CC1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000484114929 899739254 /nfs/dbraw/zinc/73/92/54/899739254.db2.gz XKBURSDPIHZXOU-UHFFFAOYSA-N -1 1 406.935 4.321 20 0 HIADMM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000484257822 899838187 /nfs/dbraw/zinc/83/81/87/899838187.db2.gz NNRHZIKSZHJFRE-UHFFFAOYSA-N -1 1 411.465 4.093 20 0 HIADMM Cc1ccc2c(c1)CCN(C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)C2 ZINC000484354145 899903431 /nfs/dbraw/zinc/90/34/31/899903431.db2.gz VBMDKMUGQXVBJK-UHFFFAOYSA-N -1 1 421.522 4.386 20 0 HIADMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)[n-]1 ZINC000484589839 900053515 /nfs/dbraw/zinc/05/35/15/900053515.db2.gz ZXZGGDQTLPJLRN-CYBMUJFWSA-N -1 1 413.524 4.467 20 0 HIADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1 ZINC000484589839 900053519 /nfs/dbraw/zinc/05/35/19/900053519.db2.gz ZXZGGDQTLPJLRN-CYBMUJFWSA-N -1 1 413.524 4.467 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000484713816 900145918 /nfs/dbraw/zinc/14/59/18/900145918.db2.gz NQEUYCUIEREOOM-UHFFFAOYSA-N -1 1 403.895 4.212 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(C(F)F)CC3)cc2)c1C ZINC000484723874 900153555 /nfs/dbraw/zinc/15/35/55/900153555.db2.gz FXDDRWAAFMTZIU-UHFFFAOYSA-N -1 1 422.497 4.222 20 0 HIADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000484726780 900155081 /nfs/dbraw/zinc/15/50/81/900155081.db2.gz KFABYMIWQJVGLV-UHFFFAOYSA-N -1 1 411.874 4.305 20 0 HIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cnc(-c2ncccn2)s1 ZINC000484762002 900177863 /nfs/dbraw/zinc/17/78/63/900177863.db2.gz CJQIQBNKEBVWIE-UHFFFAOYSA-N -1 1 400.876 4.024 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C(F)F)CC3)cc2)c1 ZINC000484782400 900191959 /nfs/dbraw/zinc/19/19/59/900191959.db2.gz XSZKGRMJVIBPNF-UHFFFAOYSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000484794911 900200646 /nfs/dbraw/zinc/20/06/46/900200646.db2.gz JNFAMDRSESPMJO-VHSXEESVSA-N -1 1 420.316 4.466 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000505744611 914422031 /nfs/dbraw/zinc/42/20/31/914422031.db2.gz RROCONCOPMQJPF-FATZIPQQSA-N -1 1 422.916 4.190 20 0 HIADMM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000484935277 900307258 /nfs/dbraw/zinc/30/72/58/900307258.db2.gz JYWXOPVFENEWEK-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc(-c2nc3scc(C(C)C)c3c(=O)[n-]2)cc1 ZINC000485140080 900439989 /nfs/dbraw/zinc/43/99/89/900439989.db2.gz RBVGYKDOVOGDDA-UHFFFAOYSA-N -1 1 405.545 4.218 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3-c3ccc(Cl)cc3)ccc2N1 ZINC000485163718 900463164 /nfs/dbraw/zinc/46/31/64/900463164.db2.gz IBERRQHAVXWIAU-UHFFFAOYSA-N -1 1 416.861 4.442 20 0 HIADMM CCCn1ccc2ccc(NS(=O)(=O)c3cc(OC)c(C(=O)[O-])cc3Cl)cc21 ZINC000485249165 900533176 /nfs/dbraw/zinc/53/31/76/900533176.db2.gz AAOHMINXEAMBLD-UHFFFAOYSA-N -1 1 422.890 4.212 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1OC ZINC000485396305 900693788 /nfs/dbraw/zinc/69/37/88/900693788.db2.gz UUIURVGOEXKXNJ-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c(C(F)(F)F)c1 ZINC000485398033 900696352 /nfs/dbraw/zinc/69/63/52/900696352.db2.gz FKEDUSGTUPOYPP-UHFFFAOYSA-N -1 1 404.385 4.221 20 0 HIADMM Cc1nc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)ccc1Br ZINC000485435161 900730311 /nfs/dbraw/zinc/73/03/11/900730311.db2.gz IJRDLFLVMCTDPA-UHFFFAOYSA-N -1 1 409.227 4.113 20 0 HIADMM CC(C)c1scnc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000485610014 900868618 /nfs/dbraw/zinc/86/86/18/900868618.db2.gz AMXSFGHFPORHEL-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM O=C([O-])c1ccoc1CSc1ccccc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000485751714 901006587 /nfs/dbraw/zinc/00/65/87/901006587.db2.gz LUDKIZNEENINQL-UHFFFAOYSA-N -1 1 420.450 4.308 20 0 HIADMM CC(C)c1scnc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000485829337 901076155 /nfs/dbraw/zinc/07/61/55/901076155.db2.gz JXFSDRSMIMCPEY-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000485893063 901125812 /nfs/dbraw/zinc/12/58/12/901125812.db2.gz OLHOTROXVCTETA-INIZCTEOSA-N -1 1 414.658 4.161 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1Br ZINC000486084448 901274625 /nfs/dbraw/zinc/27/46/25/901274625.db2.gz WGGOTGDBHVTQMK-UHFFFAOYSA-N -1 1 424.316 4.241 20 0 HIADMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486099816 901287331 /nfs/dbraw/zinc/28/73/31/901287331.db2.gz KZKVUJBAXRPOGQ-UHFFFAOYSA-N -1 1 409.769 4.046 20 0 HIADMM Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/c2cc(=O)n3[n-]cnc3n2)c(C)c1 ZINC000486171812 901357300 /nfs/dbraw/zinc/35/73/00/901357300.db2.gz ORALLMWJJLKKOX-MDZDMXLPSA-N -1 1 408.465 4.058 20 0 HIADMM Cc1ccc(C(C)(C)C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000486181089 901366817 /nfs/dbraw/zinc/36/68/17/901366817.db2.gz WECBEDNPZCXMJT-UHFFFAOYSA-N -1 1 422.550 4.390 20 0 HIADMM CC1CCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc2)CC1 ZINC000486186805 901371852 /nfs/dbraw/zinc/37/18/52/901371852.db2.gz VOXBUJRMHPVSAY-UHFFFAOYSA-N -1 1 423.922 4.110 20 0 HIADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)c1 ZINC000486493891 901645701 /nfs/dbraw/zinc/64/57/01/901645701.db2.gz MFRPLWJHJSDYDF-UHFFFAOYSA-N -1 1 400.456 4.000 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(Br)c(C)cc2C)c(=O)[n-]1 ZINC000486613533 901748604 /nfs/dbraw/zinc/74/86/04/901748604.db2.gz ZTLQDPFQAJBVSC-UHFFFAOYSA-N -1 1 410.337 4.163 20 0 HIADMM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486696135 901800198 /nfs/dbraw/zinc/80/01/98/901800198.db2.gz BZYMIXDQGXKMEV-GFCCVEGCSA-N -1 1 415.287 4.112 20 0 HIADMM CCOc1ccccc1N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486818917 901872801 /nfs/dbraw/zinc/87/28/01/901872801.db2.gz CPGFSWOHMBCTAA-UHFFFAOYSA-N -1 1 401.260 4.378 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1 ZINC000487275702 902133227 /nfs/dbraw/zinc/13/32/27/902133227.db2.gz XUJISWFLYIZZTD-UHFFFAOYSA-N -1 1 423.600 4.399 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)ccc1C(=O)N(C)C ZINC000488239314 902714075 /nfs/dbraw/zinc/71/40/75/902714075.db2.gz XAHXXPDDQHNYEB-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000488244755 902720092 /nfs/dbraw/zinc/72/00/92/902720092.db2.gz PWBVZRYPXYNWKW-DEOSSOPVSA-N -1 1 411.854 4.038 20 0 HIADMM CCOc1cc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc(Cl)c1[O-] ZINC000489028875 903135197 /nfs/dbraw/zinc/13/51/97/903135197.db2.gz XFRHICSMLWROLM-HUUCEWRRSA-N -1 1 421.881 4.046 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)c(Cl)c1 ZINC000489746748 903574802 /nfs/dbraw/zinc/57/48/02/903574802.db2.gz QEQAFXPXNZBWOB-UHFFFAOYSA-N -1 1 408.888 4.326 20 0 HIADMM O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(Br)c([O-])c1 ZINC000490144885 903791330 /nfs/dbraw/zinc/79/13/30/903791330.db2.gz ZMQYRTVCAZDWEZ-UHFFFAOYSA-N -1 1 403.301 4.251 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000490196013 903820762 /nfs/dbraw/zinc/82/07/62/903820762.db2.gz XEZWLLXMMXQKOK-TZIWHRDSSA-N -1 1 416.525 4.328 20 0 HIADMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000490562685 904102108 /nfs/dbraw/zinc/10/21/08/904102108.db2.gz FNWARBWZOMWURG-UHFFFAOYSA-N -1 1 404.182 4.326 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCc4cccc(O)c43)c2)cc1 ZINC000490888708 904304300 /nfs/dbraw/zinc/30/43/00/904304300.db2.gz MPKALOBHRMJONW-UHFFFAOYSA-N -1 1 422.506 4.094 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4cccc(F)c43)cc2)cc1 ZINC000491015904 904369774 /nfs/dbraw/zinc/36/97/74/904369774.db2.gz AKPXMUSDUHRUSJ-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4cccc(F)c43)c2)c1 ZINC000491019987 904370987 /nfs/dbraw/zinc/37/09/87/904370987.db2.gz PUZWTTZEKYSBTB-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)c1ccc(C)o1 ZINC000491770698 904696849 /nfs/dbraw/zinc/69/68/49/904696849.db2.gz YXVGNDOPXDXEFU-MRXNPFEDSA-N -1 1 413.923 4.086 20 0 HIADMM CC1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CCCCC1 ZINC000492709287 904892112 /nfs/dbraw/zinc/89/21/12/904892112.db2.gz JYJLMZVARKXWDB-UHFFFAOYSA-N -1 1 408.470 4.218 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1CCCN1c1ccccc1 ZINC000494315321 905629304 /nfs/dbraw/zinc/62/93/04/905629304.db2.gz SVOVKQGHGRGWAH-QFIPXVFZSA-N -1 1 421.522 4.095 20 0 HIADMM CCn1nc(C)c(S(=O)(=O)[N-][C@H](c2cccc3ccccc32)C(F)(F)F)c1C ZINC000512441708 921163148 /nfs/dbraw/zinc/16/31/48/921163148.db2.gz QYHWXHHRDQNISU-GOSISDBHSA-N -1 1 411.449 4.255 20 0 HIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000494668520 905891887 /nfs/dbraw/zinc/89/18/87/905891887.db2.gz XZPWEXWRLKJLOO-UHFFFAOYSA-N -1 1 416.421 4.023 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1ncnc2sc(C)c(C)c21)c1nc(C)cs1 ZINC000495319537 906374510 /nfs/dbraw/zinc/37/45/10/906374510.db2.gz PTFKOHOSSSVDLY-CQSZACIVSA-N -1 1 421.569 4.081 20 0 HIADMM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000512550200 921230284 /nfs/dbraw/zinc/23/02/84/921230284.db2.gz ZXHJOXDWCVRCTB-UHFFFAOYSA-N -1 1 403.826 4.157 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1ccc(Br)cc1)c1nc(C)cs1 ZINC000495383952 906417930 /nfs/dbraw/zinc/41/79/30/906417930.db2.gz BHGJQOUNSZLLTE-CQSZACIVSA-N -1 1 414.346 4.222 20 0 HIADMM O=c1nc(COc2nc(Cc3ccc(F)cc3)no2)[n-]c2scc(-c3ccco3)c21 ZINC000495829438 906557363 /nfs/dbraw/zinc/55/73/63/906557363.db2.gz MBCYRIFRIQTFJN-UHFFFAOYSA-N -1 1 424.413 4.349 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c(F)cccc1F ZINC000497373939 906862469 /nfs/dbraw/zinc/86/24/69/906862469.db2.gz DKFHPUNOBGEHRB-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000497451337 906925319 /nfs/dbraw/zinc/92/53/19/906925319.db2.gz ONOMPYRDTHGENT-QFIPXVFZSA-N -1 1 404.514 4.341 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000512670959 921282907 /nfs/dbraw/zinc/28/29/07/921282907.db2.gz SVCBXPYCVFFOMO-UHFFFAOYSA-N -1 1 416.525 4.066 20 0 HIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)c2)n1 ZINC000512746647 921300583 /nfs/dbraw/zinc/30/05/83/921300583.db2.gz LSFLZRGHKOBHFP-UHFFFAOYSA-N -1 1 419.462 4.194 20 0 HIADMM O=C(CCCOCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000497677826 907181427 /nfs/dbraw/zinc/18/14/27/907181427.db2.gz AZLIANJIWUOVPC-UHFFFAOYSA-N -1 1 424.522 4.423 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(OCC4CC4)cc3)c3cccc(c23)C1=O ZINC000512785360 921311005 /nfs/dbraw/zinc/31/10/05/921311005.db2.gz HWEOUMCEFAUVFB-UHFFFAOYSA-N -1 1 408.479 4.019 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000498007656 907497576 /nfs/dbraw/zinc/49/75/76/907497576.db2.gz CDHSDQPZMNZPEC-UHFFFAOYSA-N -1 1 423.853 4.137 20 0 HIADMM C[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000512828314 921333149 /nfs/dbraw/zinc/33/31/49/921333149.db2.gz OHQMYALVSANVEJ-INIZCTEOSA-N -1 1 412.486 4.160 20 0 HIADMM CC[C@@H](OC1CCCC1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498199908 907732774 /nfs/dbraw/zinc/73/27/74/907732774.db2.gz GNZPEPCJZVXOBL-HXUWFJFHSA-N -1 1 402.516 4.164 20 0 HIADMM CCCCc1nnc([N-]C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)s1 ZINC000498313384 907834409 /nfs/dbraw/zinc/83/44/09/907834409.db2.gz XIEOPROMBVBBHZ-UHFFFAOYSA-N -1 1 404.927 4.491 20 0 HIADMM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(C)c1 ZINC000498397248 907879690 /nfs/dbraw/zinc/87/96/90/907879690.db2.gz PUTKBAWOGXSOND-AWEZNQCLSA-N -1 1 404.557 4.205 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)c(C)c1 ZINC000498408841 907886994 /nfs/dbraw/zinc/88/69/94/907886994.db2.gz LNNASSWYFXWEJF-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c(C)c1 ZINC000498435973 907902019 /nfs/dbraw/zinc/90/20/19/907902019.db2.gz YSIGKFCKXIYJQF-HNNXBMFYSA-N -1 1 406.573 4.388 20 0 HIADMM CCCN(CC(F)F)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000498723932 908150437 /nfs/dbraw/zinc/15/04/37/908150437.db2.gz BDTGMWUSIGUATK-UHFFFAOYSA-N -1 1 414.449 4.052 20 0 HIADMM CCCN(CC(F)F)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000498740058 908168670 /nfs/dbraw/zinc/16/86/70/908168670.db2.gz LWIRQSBVTAIMCP-UHFFFAOYSA-N -1 1 414.449 4.052 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1c[nH]c2ncccc12 ZINC000512942892 921428596 /nfs/dbraw/zinc/42/85/96/921428596.db2.gz IWMRNNIMMFCMKW-UHFFFAOYSA-N -1 1 407.430 4.046 20 0 HIADMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000499724812 908892242 /nfs/dbraw/zinc/89/22/42/908892242.db2.gz UFWWCUMVYFGKNF-UHFFFAOYSA-N -1 1 404.182 4.326 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000499778755 908916680 /nfs/dbraw/zinc/91/66/80/908916680.db2.gz HQXWMMZEMXHFMQ-UHFFFAOYSA-N -1 1 400.276 4.051 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000499908438 909025222 /nfs/dbraw/zinc/02/52/22/909025222.db2.gz GTFRLUQPTNCCQY-VWLOTQADSA-N -1 1 416.525 4.066 20 0 HIADMM C[C@@H](c1ccco1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000500056827 909519834 /nfs/dbraw/zinc/51/98/34/909519834.db2.gz SCFOQZADGNMONC-ZDUSSCGKSA-N -1 1 420.437 4.192 20 0 HIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000500088008 909567828 /nfs/dbraw/zinc/56/78/28/909567828.db2.gz IRNAISIRKXSKJE-UHFFFAOYSA-N -1 1 419.378 4.043 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3CC(C)C)c2)c1 ZINC000500153315 909630221 /nfs/dbraw/zinc/63/02/21/909630221.db2.gz YTDXZYFIJRDYRS-FQEVSTJZSA-N -1 1 400.544 4.447 20 0 HIADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)cc21 ZINC000500287889 909760062 /nfs/dbraw/zinc/76/00/62/909760062.db2.gz HCNULFMMODZRNE-UHFFFAOYSA-N -1 1 407.495 4.436 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1Cl ZINC000500327151 909786697 /nfs/dbraw/zinc/78/66/97/909786697.db2.gz JPCIRRLJAYXWIY-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cccc1C(=O)N1CCCC1 ZINC000500333369 909794668 /nfs/dbraw/zinc/79/46/68/909794668.db2.gz TZGONDILKXYONU-UHFFFAOYSA-N -1 1 413.326 4.339 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1C(F)(F)F ZINC000500358056 909811239 /nfs/dbraw/zinc/81/12/39/909811239.db2.gz IVMAGUBGWAEAMT-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1ccc(Cl)cc1Br ZINC000500459221 909870544 /nfs/dbraw/zinc/87/05/44/909870544.db2.gz FYTKPISBIUBIRU-UHFFFAOYSA-N -1 1 404.717 4.284 20 0 HIADMM Cc1ncc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)s1 ZINC000500880225 910154354 /nfs/dbraw/zinc/15/43/54/910154354.db2.gz JCZAKPDYIJCCKJ-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM O=C(NC1CC(c2ccccc2)C1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000500949104 910202112 /nfs/dbraw/zinc/20/21/12/910202112.db2.gz UNOJFYKWVNUXAR-UHFFFAOYSA-N -1 1 424.497 4.303 20 0 HIADMM CC(C)CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1CC1 ZINC000513130279 921574080 /nfs/dbraw/zinc/57/40/80/921574080.db2.gz SHWDKWXPBNSTPZ-UHFFFAOYSA-N -1 1 408.470 4.026 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](C)[C@H](C)C3)cc2)cc1 ZINC000501646725 910734645 /nfs/dbraw/zinc/73/46/45/910734645.db2.gz QRGTXQMRSILCNL-IAGOWNOFSA-N -1 1 416.543 4.004 20 0 HIADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)c1 ZINC000501797304 910849214 /nfs/dbraw/zinc/84/92/14/910849214.db2.gz OWVMMJIDCIPKTD-UHFFFAOYSA-N -1 1 402.497 4.096 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)CC)cc2)c(C)c1 ZINC000501805384 910856571 /nfs/dbraw/zinc/85/65/71/910856571.db2.gz XAZBIHRCDUBRGM-UHFFFAOYSA-N -1 1 404.532 4.113 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@H](c2ccccc2F)C1 ZINC000502105943 911042754 /nfs/dbraw/zinc/04/27/54/911042754.db2.gz BXRMKZVYCSYQOY-GFCCVEGCSA-N -1 1 415.262 4.472 20 0 HIADMM C[C@@H](NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000502213699 911157019 /nfs/dbraw/zinc/15/70/19/911157019.db2.gz KVJGBNMPHASAAX-GOSISDBHSA-N -1 1 423.538 4.390 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000502398107 911382899 /nfs/dbraw/zinc/38/28/99/911382899.db2.gz CFYQQBLCSGGRMQ-NRFANRHFSA-N -1 1 420.557 4.388 20 0 HIADMM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)n1 ZINC000502423398 911401252 /nfs/dbraw/zinc/40/12/52/911401252.db2.gz REXVOARJEFGAMS-SSDOTTSWSA-N -1 1 413.721 4.046 20 0 HIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502473770 911466844 /nfs/dbraw/zinc/46/68/44/911466844.db2.gz QDZLZKXKMAIPOK-UHFFFAOYSA-N -1 1 418.622 4.012 20 0 HIADMM C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000502780533 911803390 /nfs/dbraw/zinc/80/33/90/911803390.db2.gz FMZNRTJTSAXDDG-MBOZVWFJSA-N -1 1 415.559 4.111 20 0 HIADMM CCCN(CC(C)C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000502843576 911854714 /nfs/dbraw/zinc/85/47/14/911854714.db2.gz VMLKFSWAALXYAH-UHFFFAOYSA-N -1 1 406.523 4.443 20 0 HIADMM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000502928700 911916197 /nfs/dbraw/zinc/91/61/97/911916197.db2.gz JREFNTIRYDAUJG-YLJYHZDGSA-N -1 1 416.543 4.330 20 0 HIADMM O=C(NCC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000503088317 912059062 /nfs/dbraw/zinc/05/90/62/912059062.db2.gz UXBAHYWQCQICTR-UHFFFAOYSA-N -1 1 410.898 4.200 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cccc(F)c3C2)cc1 ZINC000503144998 912109630 /nfs/dbraw/zinc/10/96/30/912109630.db2.gz WPXYZJRCKJRIOB-UHFFFAOYSA-N -1 1 424.497 4.133 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1 ZINC000506643975 915312256 /nfs/dbraw/zinc/31/22/56/915312256.db2.gz XHBJJYZZINKORB-UHFFFAOYSA-N -1 1 400.328 4.073 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cn1 ZINC000506660767 915335252 /nfs/dbraw/zinc/33/52/52/915335252.db2.gz KXTVPUGEJFPSAU-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM CCC(C)(C)c1ccc(CNC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000506668116 915343766 /nfs/dbraw/zinc/34/37/66/915343766.db2.gz GAOLZBATXQYGNO-UHFFFAOYSA-N -1 1 419.547 4.076 20 0 HIADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(C)C)c1 ZINC000506676884 915353068 /nfs/dbraw/zinc/35/30/68/915353068.db2.gz XGADOGSQUOAAHZ-UHFFFAOYSA-N -1 1 418.559 4.110 20 0 HIADMM CC[C@H](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000506707087 915382967 /nfs/dbraw/zinc/38/29/67/915382967.db2.gz VFQNLVVTOAAMHP-STQMWFEESA-N -1 1 410.923 4.467 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1 ZINC000506710285 915387410 /nfs/dbraw/zinc/38/74/10/915387410.db2.gz FGBJSHCSYDFDMS-UHFFFAOYSA-N -1 1 421.563 4.176 20 0 HIADMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)c1 ZINC000506848867 915629513 /nfs/dbraw/zinc/62/95/13/915629513.db2.gz NXGLLPYUWZCFDD-QGZVFWFLSA-N -1 1 418.559 4.330 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000513427840 921798659 /nfs/dbraw/zinc/79/86/59/921798659.db2.gz XTXRPVFRBXYYBD-UHFFFAOYSA-N -1 1 423.853 4.137 20 0 HIADMM COc1cc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)ccc1C ZINC000507488531 916254053 /nfs/dbraw/zinc/25/40/53/916254053.db2.gz VGMCGYIVOFEYDD-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)ccc1F ZINC000507570962 916326174 /nfs/dbraw/zinc/32/61/74/916326174.db2.gz UVZQLKBPLQECFV-UHFFFAOYSA-N -1 1 415.418 4.132 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc(Cl)c3)cc2C)cn1 ZINC000507908168 916782115 /nfs/dbraw/zinc/78/21/15/916782115.db2.gz JQPYIEZFRRYZQL-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)ccc2C)c1 ZINC000507971069 916823146 /nfs/dbraw/zinc/82/31/46/916823146.db2.gz QVXRRJVJSLZQKA-UHFFFAOYSA-N -1 1 413.495 4.470 20 0 HIADMM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000508084142 916902267 /nfs/dbraw/zinc/90/22/67/916902267.db2.gz XQAXYLCNXRBEEY-ZDUSSCGKSA-N -1 1 410.136 4.466 20 0 HIADMM O=S(=O)([N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1ccccc1OC(F)F ZINC000508112425 916929195 /nfs/dbraw/zinc/92/91/95/916929195.db2.gz ZZFWAEQMZMHEFN-OAHLLOKOSA-N -1 1 420.359 4.351 20 0 HIADMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(Br)s2)c(Cl)c1 ZINC000508114406 916931194 /nfs/dbraw/zinc/93/11/94/916931194.db2.gz ZAFGPMWKMMFRPY-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)COC3)cc1 ZINC000508386297 917182807 /nfs/dbraw/zinc/18/28/07/917182807.db2.gz LNFGPBQPVGKKGE-UHFFFAOYSA-N -1 1 408.479 4.078 20 0 HIADMM CN(CCC(F)(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000508742211 917500480 /nfs/dbraw/zinc/50/04/80/917500480.db2.gz AQYCZQUZRPJYOZ-UHFFFAOYSA-N -1 1 420.840 4.165 20 0 HIADMM CCOc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000508974921 917728756 /nfs/dbraw/zinc/72/87/56/917728756.db2.gz CXSXSXYNRQULFP-UHFFFAOYSA-N -1 1 424.522 4.457 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)c1 ZINC000509075284 917819710 /nfs/dbraw/zinc/81/97/10/917819710.db2.gz PMUMKXJEXIFAQF-UHFFFAOYSA-N -1 1 404.557 4.190 20 0 HIADMM COc1ccc2[nH]cc(C3CCN(C(=O)c4cnc5nc(C)ccc5c4[O-])CC3)c2c1 ZINC000509094460 917835637 /nfs/dbraw/zinc/83/56/37/917835637.db2.gz LLOPXDLXKGJEJX-UHFFFAOYSA-N -1 1 416.481 4.154 20 0 HIADMM COc1ccc2[nH]cc(C3CCN(C(=O)c4c[n-]c5nc(C)ccc5c4=O)CC3)c2c1 ZINC000509094460 917835639 /nfs/dbraw/zinc/83/56/39/917835639.db2.gz LLOPXDLXKGJEJX-UHFFFAOYSA-N -1 1 416.481 4.154 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000509161987 917878148 /nfs/dbraw/zinc/87/81/48/917878148.db2.gz ANDJAGCCPTXUKK-UHFFFAOYSA-N -1 1 400.719 4.037 20 0 HIADMM NC(=O)c1ccc(CSc2ncccc2C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000509187080 917895003 /nfs/dbraw/zinc/89/50/03/917895003.db2.gz VSOZYCFFJJBUCI-UHFFFAOYSA-N -1 1 413.886 4.084 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)c1 ZINC000509223527 917921903 /nfs/dbraw/zinc/92/19/03/917921903.db2.gz KKNRMWGWTOSMEX-UHFFFAOYSA-N -1 1 403.554 4.186 20 0 HIADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509251141 917945418 /nfs/dbraw/zinc/94/54/18/917945418.db2.gz YPQKYMCRKOCMKE-JTQLQIEISA-N -1 1 408.667 4.358 20 0 HIADMM O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509295606 917975454 /nfs/dbraw/zinc/97/54/54/917975454.db2.gz HEATVWMKQOJUQX-UHFFFAOYSA-N -1 1 412.496 4.133 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000509385949 918051976 /nfs/dbraw/zinc/05/19/76/918051976.db2.gz KNWOSFFOYFAARR-UHFFFAOYSA-N -1 1 404.435 4.100 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000509388246 918054423 /nfs/dbraw/zinc/05/44/23/918054423.db2.gz PQRWCKSJTVFTAR-UHFFFAOYSA-N -1 1 406.813 4.340 20 0 HIADMM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(F)c(OC)c3)c2)cn1 ZINC000509392239 918057585 /nfs/dbraw/zinc/05/75/85/918057585.db2.gz OTFKXLPIRJAFPE-UHFFFAOYSA-N -1 1 402.447 4.014 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)Cc1csc2ccccc12 ZINC000509395087 918061885 /nfs/dbraw/zinc/06/18/85/918061885.db2.gz UVKQUQFAQSOJEG-UHFFFAOYSA-N -1 1 418.522 4.359 20 0 HIADMM CC[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c(C)noc1C ZINC000509418670 918078959 /nfs/dbraw/zinc/07/89/59/918078959.db2.gz SHXRJOLYYCTKKN-LJQANCHMSA-N -1 1 413.499 4.225 20 0 HIADMM C[C@H]1CCc2nc(C[NH+]3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)sc2C1 ZINC000509519719 918168433 /nfs/dbraw/zinc/16/84/33/918168433.db2.gz LJOATJJGCLEEEJ-ZDUSSCGKSA-N -1 1 419.978 4.478 20 0 HIADMM Cc1cc(C(=O)N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000509559374 918208963 /nfs/dbraw/zinc/20/89/63/918208963.db2.gz UMOLLZRQBHQIJP-UHFFFAOYSA-N -1 1 418.584 4.108 20 0 HIADMM Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4c[nH]c(C(=O)[O-])c4)cc3)sc2c1 ZINC000509657508 918292456 /nfs/dbraw/zinc/29/24/56/918292456.db2.gz KQJYQJUPLKTRGI-UHFFFAOYSA-N -1 1 413.480 4.099 20 0 HIADMM Cc1ccc([C@H](C)N(C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c(C)c1 ZINC000509682470 918313003 /nfs/dbraw/zinc/31/30/03/918313003.db2.gz SDZBVIOUPKVXQV-SFHVURJKSA-N -1 1 404.514 4.322 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)cc1O ZINC000510049386 918620775 /nfs/dbraw/zinc/62/07/75/918620775.db2.gz QHSJZXFSFSQCGZ-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1O ZINC000510064268 918634364 /nfs/dbraw/zinc/63/43/64/918634364.db2.gz VXZXQJPBYRIIEM-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1c(F)cccc1Cl ZINC000510538476 918983730 /nfs/dbraw/zinc/98/37/30/918983730.db2.gz MSLUVVOJPIAUTM-AWEZNQCLSA-N -1 1 412.697 4.188 20 0 HIADMM CC(C)c1[nH]ccc1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000510828984 919309124 /nfs/dbraw/zinc/30/91/24/919309124.db2.gz IMUCMMNOMJHLAS-UHFFFAOYSA-N -1 1 411.527 4.211 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc(C2CC2)on1 ZINC000511042591 919629147 /nfs/dbraw/zinc/62/91/47/919629147.db2.gz DHRFVYUPGBHFFX-UHFFFAOYSA-N -1 1 417.874 4.259 20 0 HIADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000511710611 920374742 /nfs/dbraw/zinc/37/47/42/920374742.db2.gz UNZQGHFTVODKIU-UHFFFAOYSA-N -1 1 407.706 4.149 20 0 HIADMM C[C@@H]1CCCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000511805022 920500978 /nfs/dbraw/zinc/50/09/78/920500978.db2.gz DREXBDKSCHTEGB-CQSZACIVSA-N -1 1 408.470 4.170 20 0 HIADMM CN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000512173992 920910829 /nfs/dbraw/zinc/91/08/29/920910829.db2.gz DIZPUNLHNDMUHZ-LJQANCHMSA-N -1 1 424.863 4.328 20 0 HIADMM CCC(CC)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)on1 ZINC000512282009 921037077 /nfs/dbraw/zinc/03/70/77/921037077.db2.gz SEUFWRJEYWSZPH-UHFFFAOYSA-N -1 1 404.268 4.378 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000512319985 921069310 /nfs/dbraw/zinc/06/93/10/921069310.db2.gz OKBZPORRXGTSPP-GXTWGEPZSA-N -1 1 411.449 4.297 20 0 HIADMM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513719353 922039274 /nfs/dbraw/zinc/03/92/74/922039274.db2.gz BNPSDAHJBRWGML-PKOBYXMFSA-N -1 1 416.543 4.330 20 0 HIADMM CC[C@H]1C[C@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513728616 922048533 /nfs/dbraw/zinc/04/85/33/922048533.db2.gz BBNZTWQCXUNKRI-APWZRJJASA-N -1 1 402.516 4.021 20 0 HIADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513730056 922049572 /nfs/dbraw/zinc/04/95/72/922049572.db2.gz IPAMQEMDSJZGHC-UWJYYQICSA-N -1 1 416.543 4.267 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1Br ZINC000513817217 922140309 /nfs/dbraw/zinc/14/03/09/922140309.db2.gz DBMYLHPLHWNMRX-UHFFFAOYSA-N -1 1 423.288 4.304 20 0 HIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000514485557 922640394 /nfs/dbraw/zinc/64/03/94/922640394.db2.gz AZPIIKAIMDRURP-UHFFFAOYSA-N -1 1 400.422 4.376 20 0 HIADMM O=C(NCc1c(F)cccc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000514532076 922678871 /nfs/dbraw/zinc/67/88/71/922678871.db2.gz IVDTYEAMTFWEMQ-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000514628501 922732120 /nfs/dbraw/zinc/73/21/20/922732120.db2.gz GRJJUTBPCCHPIV-XLKFXECMSA-N -1 1 420.687 4.042 20 0 HIADMM Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000514712506 922770940 /nfs/dbraw/zinc/77/09/40/922770940.db2.gz ZDCAOINEBXRVJR-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000514955455 922852549 /nfs/dbraw/zinc/85/25/49/922852549.db2.gz CDZNIDZBQJXQEV-UHFFFAOYSA-N -1 1 424.478 4.031 20 0 HIADMM Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)s1 ZINC000515574262 923189907 /nfs/dbraw/zinc/18/99/07/923189907.db2.gz MPRMXHYGYZJUDD-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)cc1F ZINC000515630111 923230277 /nfs/dbraw/zinc/23/02/77/923230277.db2.gz QJOXRLQRSVYSGM-HUUCEWRRSA-N -1 1 418.534 4.361 20 0 HIADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000515635006 923233965 /nfs/dbraw/zinc/23/39/65/923233965.db2.gz WXUWTJRTDPPOBS-UHFFFAOYSA-N -1 1 423.332 4.142 20 0 HIADMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000516022138 923505972 /nfs/dbraw/zinc/50/59/72/923505972.db2.gz IUZFABOGIWJBTO-UHFFFAOYSA-N -1 1 401.315 4.241 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)OCC(C)C)ccc2C)c1 ZINC000516146303 923574305 /nfs/dbraw/zinc/57/43/05/923574305.db2.gz IDPMQPRQOPSVSB-QGZVFWFLSA-N -1 1 404.532 4.104 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(NC3CC3)nc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000516253682 923628008 /nfs/dbraw/zinc/62/80/08/923628008.db2.gz ROZVZRXQPPRECW-UHFFFAOYSA-N -1 1 422.510 4.017 20 0 HIADMM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000516333012 923670382 /nfs/dbraw/zinc/67/03/82/923670382.db2.gz YFLFAIOGCXHHLW-UHFFFAOYSA-N -1 1 414.327 4.360 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000516940428 923942756 /nfs/dbraw/zinc/94/27/56/923942756.db2.gz WMHAABUMRKHGPW-NRFANRHFSA-N -1 1 415.515 4.426 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ncc3n2CCCC3)cc1)c1cccc2cnccc21 ZINC000517489943 924226303 /nfs/dbraw/zinc/22/63/03/924226303.db2.gz YDVAGQISSOOWNO-UHFFFAOYSA-N -1 1 404.495 4.235 20 0 HIADMM Cc1cccc(-n2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccco3)nn2)c1 ZINC000517656748 926763965 /nfs/dbraw/zinc/76/39/65/926763965.db2.gz VAAAXHRGCMUOLZ-UHFFFAOYSA-N -1 1 412.405 4.398 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](CC)C(C)(C)C)c2)cc1 ZINC000517960440 926904677 /nfs/dbraw/zinc/90/46/77/926904677.db2.gz CPTVIBRCVWIPBR-HXUWFJFHSA-N -1 1 418.559 4.441 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3N3CCSCC3)ccc2O1 ZINC000517977706 926924631 /nfs/dbraw/zinc/92/46/31/926924631.db2.gz GHWJIQIAPYWFJP-CYBMUJFWSA-N -1 1 424.975 4.017 20 0 HIADMM Cc1nc(-c2cccc(NC(=O)c3cc(C)ccc3[N-]S(C)(=O)=O)c2)cs1 ZINC000518017351 926956866 /nfs/dbraw/zinc/95/68/66/926956866.db2.gz HXPGWJFKOCMPJE-UHFFFAOYSA-N -1 1 401.513 4.051 20 0 HIADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000518043138 926981981 /nfs/dbraw/zinc/98/19/81/926981981.db2.gz JMVYFNQGLBWPJR-NRFANRHFSA-N -1 1 410.470 4.044 20 0 HIADMM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)nc1 ZINC000518260723 927118801 /nfs/dbraw/zinc/11/88/01/927118801.db2.gz RXJYCNGKVUHQLM-UHFFFAOYSA-N -1 1 401.532 4.145 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4cccs4)no3)c2)cc1 ZINC000518324829 927189657 /nfs/dbraw/zinc/18/96/57/927189657.db2.gz XZTWTFYFYFSFBO-UHFFFAOYSA-N -1 1 413.480 4.275 20 0 HIADMM O=S(=O)(Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000518389259 927235219 /nfs/dbraw/zinc/23/52/19/927235219.db2.gz LYTVNUOFMUJKKX-UHFFFAOYSA-N -1 1 421.927 4.115 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1cc(Br)ccc1F ZINC000518532475 927331243 /nfs/dbraw/zinc/33/12/43/927331243.db2.gz UXKBTEAKELHVCU-SFHVURJKSA-N -1 1 421.291 4.051 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000518821976 927518725 /nfs/dbraw/zinc/51/87/25/927518725.db2.gz PVTQOXBMSCUALH-MRXNPFEDSA-N -1 1 420.513 4.150 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(Cc4cccs4)no3)c2)cc1 ZINC000518860143 927566361 /nfs/dbraw/zinc/56/63/61/927566361.db2.gz NEDYRNCKJMTBMA-UHFFFAOYSA-N -1 1 411.508 4.498 20 0 HIADMM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000519059798 927738137 /nfs/dbraw/zinc/73/81/37/927738137.db2.gz UOORPJFMNQLELS-UHFFFAOYSA-N -1 1 422.506 4.193 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(COC4CCCCC4)c3)cc2o1 ZINC000519119830 927788337 /nfs/dbraw/zinc/78/83/37/927788337.db2.gz MWMRIDJAJZOPMK-UHFFFAOYSA-N -1 1 402.472 4.184 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)c1ccccc1OC ZINC000519887471 928118572 /nfs/dbraw/zinc/11/85/72/928118572.db2.gz QBGXJQDYTDXQCC-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)c3ccccn3)cc2)c1 ZINC000520087902 928301827 /nfs/dbraw/zinc/30/18/27/928301827.db2.gz JPZYDPVGCGWWIL-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4nc[nH]c4c3)ccc2C)cc1 ZINC000520107590 928315397 /nfs/dbraw/zinc/31/53/97/928315397.db2.gz IQUUGWBTQNSBDW-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4[nH]cnc4c3)ccc2C)cc1 ZINC000520107590 928315412 /nfs/dbraw/zinc/31/54/12/928315412.db2.gz IQUUGWBTQNSBDW-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000520139004 928333951 /nfs/dbraw/zinc/33/39/51/928333951.db2.gz AUYZEHQTJRMTOM-OAHLLOKOSA-N -1 1 406.935 4.403 20 0 HIADMM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1sccc1Br ZINC000520268856 928435007 /nfs/dbraw/zinc/43/50/07/928435007.db2.gz JCZUUFZEAAJCOJ-UHFFFAOYSA-N -1 1 404.376 4.114 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nc(-c3ccsc3)no2)cc1 ZINC000520276970 928440746 /nfs/dbraw/zinc/44/07/46/928440746.db2.gz JJBBWERELCTJPQ-UHFFFAOYSA-N -1 1 401.444 4.405 20 0 HIADMM COc1ccccc1-c1cccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000520346055 928508079 /nfs/dbraw/zinc/50/80/79/928508079.db2.gz DNWXPRDWNYZZAU-UHFFFAOYSA-N -1 1 409.511 4.459 20 0 HIADMM CC(C)c1nc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)cc2s1 ZINC000520678971 928725757 /nfs/dbraw/zinc/72/57/57/928725757.db2.gz XYJHUGPSSDJWFH-UHFFFAOYSA-N -1 1 421.544 4.342 20 0 HIADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Br)cc1OCC(C)C ZINC000520696419 928743448 /nfs/dbraw/zinc/74/34/48/928743448.db2.gz DWSKGYUQVYFNQW-IBGZPJMESA-N -1 1 422.319 4.408 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(OCC(F)(F)F)c3)c3cccc1c23 ZINC000520701557 928749030 /nfs/dbraw/zinc/74/90/30/928749030.db2.gz HBMPVTNYVQCOCH-UHFFFAOYSA-N -1 1 422.384 4.147 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1ccc(F)cc1C(F)(F)F ZINC000520880758 928857789 /nfs/dbraw/zinc/85/77/89/928857789.db2.gz MJTIIFZLXXENID-UHFFFAOYSA-N -1 1 419.787 4.484 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000521037109 928951691 /nfs/dbraw/zinc/95/16/91/928951691.db2.gz DTYNOZNSUFZZRF-UHFFFAOYSA-N -1 1 424.570 4.206 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1 ZINC000521041126 928955391 /nfs/dbraw/zinc/95/53/91/928955391.db2.gz JRUHAVIZBCFGMQ-UHFFFAOYSA-N -1 1 411.845 4.230 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cnc2onc(-c3ccccc3)c2c1 ZINC000521129252 929011897 /nfs/dbraw/zinc/01/18/97/929011897.db2.gz JUDNDLMCJCYCFE-UHFFFAOYSA-N -1 1 405.357 4.108 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(c1ccccc1)[C@H](C)c1ccccc1 ZINC000521332871 929148962 /nfs/dbraw/zinc/14/89/62/929148962.db2.gz RFWQKBBUJONONS-QGZVFWFLSA-N -1 1 400.482 4.389 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000521448281 929226160 /nfs/dbraw/zinc/22/61/60/929226160.db2.gz IARSYDZXCWKTGL-UHFFFAOYSA-N -1 1 413.890 4.010 20 0 HIADMM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000521642021 929338921 /nfs/dbraw/zinc/33/89/21/929338921.db2.gz LWOMRJWRAUUPQN-UHFFFAOYSA-N -1 1 422.539 4.338 20 0 HIADMM Cc1ncccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000521711719 929381235 /nfs/dbraw/zinc/38/12/35/929381235.db2.gz CPUBHYYMRXXYIR-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H]1C1CCC1 ZINC000524497143 929644422 /nfs/dbraw/zinc/64/44/22/929644422.db2.gz FGSJVRAXBKAKTE-OAQYLSRUSA-N -1 1 416.518 4.340 20 0 HIADMM CCc1nc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)nn1-c1ccccc1 ZINC000524553509 929682777 /nfs/dbraw/zinc/68/27/77/929682777.db2.gz OZDNWIDPZAVCOZ-UHFFFAOYSA-N -1 1 422.539 4.226 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3C(C)(C)C)c2)cc1 ZINC000524697609 929803400 /nfs/dbraw/zinc/80/34/00/929803400.db2.gz NCVMXFQUFYVDDJ-FQEVSTJZSA-N -1 1 400.544 4.447 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2c(F)cccc2F)C2CCCC2)c(=O)[n-]1 ZINC000524711990 929807919 /nfs/dbraw/zinc/80/79/19/929807919.db2.gz VIXRNFADYBWHGI-UHFFFAOYSA-N -1 1 421.513 4.395 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2oc(SC[C@@H]3CCOC3)nc2c1 ZINC000525004211 929967595 /nfs/dbraw/zinc/96/75/95/929967595.db2.gz DOKZKDJQPRYTQZ-GFCCVEGCSA-N -1 1 424.931 4.411 20 0 HIADMM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000525013330 929974064 /nfs/dbraw/zinc/97/40/64/929974064.db2.gz UPXIOMRDDRSUMK-AREMUKBSSA-N -1 1 402.541 4.083 20 0 HIADMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1C ZINC000525021311 929981662 /nfs/dbraw/zinc/98/16/62/929981662.db2.gz YIKUFNDZSGPRQI-UHFFFAOYSA-N -1 1 413.478 4.003 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@@H]3Cc3ccccc3)c2)cc1 ZINC000525101047 930035665 /nfs/dbraw/zinc/03/56/65/930035665.db2.gz UMWLJXWDJHDCET-REWPJTCUSA-N -1 1 420.534 4.157 20 0 HIADMM CSc1nsc([N-]C(=O)c2csc(-c3cc(Br)cs3)n2)n1 ZINC000525334168 930171122 /nfs/dbraw/zinc/17/11/22/930171122.db2.gz IBKJUSAWMXPBNJ-UHFFFAOYSA-N -1 1 419.376 4.460 20 0 HIADMM COc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000525416502 930228548 /nfs/dbraw/zinc/22/85/48/930228548.db2.gz OJCMVUWIEUTQGE-GOSISDBHSA-N -1 1 423.510 4.115 20 0 HIADMM Cc1cc(C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000525522553 930299811 /nfs/dbraw/zinc/29/98/11/930299811.db2.gz NSMWDEYAZJXHNQ-UHFFFAOYSA-N -1 1 423.538 4.407 20 0 HIADMM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000525523391 930300914 /nfs/dbraw/zinc/30/09/14/930300914.db2.gz BSDWXMTWRFWEMK-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CC(C)Oc1cccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000525584689 930346565 /nfs/dbraw/zinc/34/65/65/930346565.db2.gz TWWOGRYVCUAVHM-UHFFFAOYSA-N -1 1 424.522 4.456 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc2cc(F)ccc2[nH]1 ZINC000525587102 930348357 /nfs/dbraw/zinc/34/83/57/930348357.db2.gz YNFNSOMBPPTPMD-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525603712 930357780 /nfs/dbraw/zinc/35/77/80/930357780.db2.gz BDQNOMHKGNWCAI-QGZVFWFLSA-N -1 1 406.507 4.074 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C(C)(C)C)c2)c1 ZINC000525715770 930413488 /nfs/dbraw/zinc/41/34/88/930413488.db2.gz OXJIVEDLEPGBHK-HXUWFJFHSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)S[C@@H](C)C3)cc2)c1C ZINC000525719046 930414507 /nfs/dbraw/zinc/41/45/07/930414507.db2.gz RHZUFYNZYAIHMR-IYBDPMFKSA-N -1 1 418.584 4.070 20 0 HIADMM Cc1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)C[C@H](C)O2 ZINC000530636961 930782319 /nfs/dbraw/zinc/78/23/19/930782319.db2.gz KKIQCEFFRSGHGQ-KRWDZBQOSA-N -1 1 422.506 4.224 20 0 HIADMM O=C(NC1(c2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000530748036 930815649 /nfs/dbraw/zinc/81/56/49/930815649.db2.gz VVIWRUQPGXRRON-UHFFFAOYSA-N -1 1 410.470 4.046 20 0 HIADMM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CCOCC1)c1cc2ccccc2o1 ZINC000530770513 930820019 /nfs/dbraw/zinc/82/00/19/930820019.db2.gz BXZPXJNAEBBTFP-UHFFFAOYSA-N -1 1 405.903 4.113 20 0 HIADMM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000531485780 931074004 /nfs/dbraw/zinc/07/40/04/931074004.db2.gz SONZALCVKPFJFR-OAQYLSRUSA-N -1 1 406.463 4.091 20 0 HIADMM O=C(NCCCF)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000531758230 931184959 /nfs/dbraw/zinc/18/49/59/931184959.db2.gz RROPTYQESHFAQT-UHFFFAOYSA-N -1 1 412.486 4.244 20 0 HIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)c2C)o1 ZINC000532768931 931627572 /nfs/dbraw/zinc/62/75/72/931627572.db2.gz UFUURQNQBDXRBD-UHFFFAOYSA-N -1 1 415.393 4.028 20 0 HIADMM CC(C)(C)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000532845137 931655781 /nfs/dbraw/zinc/65/57/81/931655781.db2.gz MALZZGJQEZJCLS-UHFFFAOYSA-N -1 1 417.405 4.382 20 0 HIADMM Cc1ccc(C(=O)N(CC(F)F)C(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000532863203 931670949 /nfs/dbraw/zinc/67/09/49/931670949.db2.gz VLCPTEOETPURBC-UHFFFAOYSA-N -1 1 414.449 4.051 20 0 HIADMM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000532907883 931687604 /nfs/dbraw/zinc/68/76/04/931687604.db2.gz XMWWTOSRFQRPQS-ZETCQYMHSA-N -1 1 400.772 4.135 20 0 HIADMM O=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000533113681 931773990 /nfs/dbraw/zinc/77/39/90/931773990.db2.gz FFKJHMYIKRPKEA-QGZVFWFLSA-N -1 1 416.510 4.010 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000533179950 931803078 /nfs/dbraw/zinc/80/30/78/931803078.db2.gz OUFARUGIKLWUNL-PWSUYJOCSA-N -1 1 405.825 4.202 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC000533256841 931821054 /nfs/dbraw/zinc/82/10/54/931821054.db2.gz TWFMSOCOPZAQFX-UHFFFAOYSA-N -1 1 410.493 4.095 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000533330837 931840426 /nfs/dbraw/zinc/84/04/26/931840426.db2.gz VXPWZQZIQLOPCR-OPAMFIHVSA-N -1 1 415.511 4.037 20 0 HIADMM Cc1cccc(COc2cccc(C=C([O-])Nc3nc(-c4cccnc4)ns3)c2)c1 ZINC000533723577 931990460 /nfs/dbraw/zinc/99/04/60/931990460.db2.gz IGLAISPIBGWLEM-UHFFFAOYSA-N -1 1 416.506 4.091 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(c1ccccn1)C2)c1ccc2c(c1)CCCC2 ZINC000533784012 932030870 /nfs/dbraw/zinc/03/08/70/932030870.db2.gz YCHISNCTLQLWRH-UHFFFAOYSA-N -1 1 405.523 4.281 20 0 HIADMM O=S(=O)([N-][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cc(Cl)sc1Cl ZINC000533907971 932094052 /nfs/dbraw/zinc/09/40/52/932094052.db2.gz QMSCEDJOJFDOQI-VIFPVBQESA-N -1 1 420.261 4.086 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cccs4)nc3c2)cc1 ZINC000533937762 932112354 /nfs/dbraw/zinc/11/23/54/932112354.db2.gz FZIYOGQWLOOGLX-UHFFFAOYSA-N -1 1 413.524 4.281 20 0 HIADMM CSc1ccc(-c2nsc([N-]C(=O)c3cnc([C@H]4CCCO4)s3)n2)cc1 ZINC000534082906 932263192 /nfs/dbraw/zinc/26/31/92/932263192.db2.gz ZMGGOPPKMRETOT-GFCCVEGCSA-N -1 1 404.542 4.487 20 0 HIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1csc([C@H]2CCCO2)n1 ZINC000534469591 932493880 /nfs/dbraw/zinc/49/38/80/932493880.db2.gz PPHMRKQVQJLQDN-LLVKDONJSA-N -1 1 410.571 4.452 20 0 HIADMM COc1ccc(Sc2nsc([N-]C(=O)c3cnc([C@H]4CCCO4)s3)n2)cc1 ZINC000534800571 932777624 /nfs/dbraw/zinc/77/76/24/932777624.db2.gz PIVYORCWUYSNQC-GFCCVEGCSA-N -1 1 420.541 4.258 20 0 HIADMM Cc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc1)CC2 ZINC000534993578 932880163 /nfs/dbraw/zinc/88/01/63/932880163.db2.gz IXEZOLLUQAKFIU-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(Br)c([O-])c1 ZINC000535008391 932883876 /nfs/dbraw/zinc/88/38/76/932883876.db2.gz XJHZXIXNXRUNBR-UHFFFAOYSA-N -1 1 416.271 4.395 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)cc1Cl ZINC000535228707 933029713 /nfs/dbraw/zinc/02/97/13/933029713.db2.gz DGHPQLAETDYFCZ-UHFFFAOYSA-N -1 1 415.902 4.065 20 0 HIADMM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000535333879 933078002 /nfs/dbraw/zinc/07/80/02/933078002.db2.gz XTTHHWIUQQREKA-VIFPVBQESA-N -1 1 422.753 4.104 20 0 HIADMM CC(C)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000535506783 933198714 /nfs/dbraw/zinc/19/87/14/933198714.db2.gz HWXMEKLNUITREL-UHFFFAOYSA-N -1 1 412.305 4.145 20 0 HIADMM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1cnc([C@@H]2CCCO2)s1 ZINC000535529929 933220890 /nfs/dbraw/zinc/22/08/90/933220890.db2.gz RPOVQZGLKQVQEL-NSHDSACASA-N -1 1 409.393 4.051 20 0 HIADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000535653793 933295867 /nfs/dbraw/zinc/29/58/67/933295867.db2.gz BYMQKEODPRBKTR-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM CN1CC[C@H](CNC(=O)CC2(CC(=O)[O-])CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535691873 933346907 /nfs/dbraw/zinc/34/69/07/933346907.db2.gz OWXGKIQFOWDJAL-IIBYNOLFSA-N -1 1 424.944 4.403 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC=C(C(F)(F)F)CC3)c2)cc1 ZINC000536030795 933580776 /nfs/dbraw/zinc/58/07/76/933580776.db2.gz KZANJLLSBMGZGW-UHFFFAOYSA-N -1 1 424.444 4.130 20 0 HIADMM Cc1n[nH]c2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4cccc(C)c4)c3)ccc12 ZINC000537706961 938360478 /nfs/dbraw/zinc/36/04/78/938360478.db2.gz YWXVQCIUPMZALE-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000537751050 938368997 /nfs/dbraw/zinc/36/89/97/938368997.db2.gz ATQREZFRFNLJRJ-UHFFFAOYSA-N -1 1 420.718 4.279 20 0 HIADMM Cc1cc(C)c(Nc2nnc(Sc3nc4c(cnn4C)c(=O)[n-]3)s2)c(Cl)c1 ZINC000537790847 938376560 /nfs/dbraw/zinc/37/65/60/938376560.db2.gz MQFKNPYTTWEZTQ-UHFFFAOYSA-N -1 1 419.923 4.085 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3[C@H](CC)CC[C@@H]3C)c2)cc1 ZINC000537920057 938413945 /nfs/dbraw/zinc/41/39/45/938413945.db2.gz GMIUCIIVUVXQMK-QFBILLFUSA-N -1 1 416.543 4.289 20 0 HIADMM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)C1 ZINC000538049099 938482475 /nfs/dbraw/zinc/48/24/75/938482475.db2.gz IREZPKSUQNFDQB-DOTOQJQBSA-N -1 1 414.543 4.291 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000538052077 938484743 /nfs/dbraw/zinc/48/47/43/938484743.db2.gz PQEDPPRIMHYEHL-KBPBESRZSA-N -1 1 417.289 4.246 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(COCCc3ccccc3)c2)cc1 ZINC000538137960 938516734 /nfs/dbraw/zinc/51/67/34/938516734.db2.gz LCGCWARMYBGSCL-UHFFFAOYSA-N -1 1 411.523 4.393 20 0 HIADMM CC(=O)c1cc(F)c([N-]C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)c(F)c1 ZINC000538542158 938644950 /nfs/dbraw/zinc/64/49/50/938644950.db2.gz RYVOKHCVFOHYOV-UHFFFAOYSA-N -1 1 416.405 4.314 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000539154777 938813074 /nfs/dbraw/zinc/81/30/74/938813074.db2.gz WPHKWAKIFMTUEB-UHFFFAOYSA-N -1 1 416.261 4.238 20 0 HIADMM O=C(c1cc(Cl)ccc1Oc1cccc(Cl)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539325095 938841605 /nfs/dbraw/zinc/84/16/05/938841605.db2.gz DJIIAWCEPOBJQF-GFCCVEGCSA-N -1 1 418.284 4.319 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2sc3c(c2C)CCCC3)c1 ZINC000539934865 938979143 /nfs/dbraw/zinc/97/91/43/938979143.db2.gz CHTWOXZRWHFABC-UHFFFAOYSA-N -1 1 411.483 4.442 20 0 HIADMM O=C(Cc1cccs1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000539978246 939029090 /nfs/dbraw/zinc/02/90/90/939029090.db2.gz DDUQOLXXPJAIBK-UHFFFAOYSA-N -1 1 422.915 4.089 20 0 HIADMM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000563607632 945225188 /nfs/dbraw/zinc/22/51/88/945225188.db2.gz ADNPTFOHEZDJSO-RTBURBONSA-N -1 1 422.934 4.285 20 0 HIADMM CCc1c([N-]S(=O)(=O)c2ccc(C)o2)n[nH]c1-c1ccc(Br)cc1 ZINC000540211582 939129795 /nfs/dbraw/zinc/12/97/95/939129795.db2.gz VNKJOFFFYCXRJZ-UHFFFAOYSA-N -1 1 410.293 4.104 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000540212293 939130865 /nfs/dbraw/zinc/13/08/65/939130865.db2.gz WGJHVRVRGNNRST-QGZVFWFLSA-N -1 1 416.543 4.289 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC/C=C\c2ccccc2)cc1 ZINC000540885351 939409619 /nfs/dbraw/zinc/40/96/19/939409619.db2.gz DNXFVXKLXRSMTG-XFFZJAGNSA-N -1 1 406.507 4.239 20 0 HIADMM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1F ZINC000541125783 939469981 /nfs/dbraw/zinc/46/99/81/939469981.db2.gz GHSKZTXWLOJDAK-UHFFFAOYSA-N -1 1 424.469 4.070 20 0 HIADMM COc1ccc(-c2nnc([N-]C(=O)c3nccnc3Sc3ccccc3)s2)cc1 ZINC000541299065 939490014 /nfs/dbraw/zinc/49/00/14/939490014.db2.gz SJGYJVHZGXMXQF-UHFFFAOYSA-N -1 1 421.507 4.407 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H]3CCCCS3)cc2)c1C ZINC000541471153 939529404 /nfs/dbraw/zinc/52/94/04/939529404.db2.gz MGUWHQWZSGCTHT-SFHVURJKSA-N -1 1 418.584 4.120 20 0 HIADMM CC(C)(C)[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000541488191 939533850 /nfs/dbraw/zinc/53/38/50/939533850.db2.gz AXJIXIZTJTZADE-HNNXBMFYSA-N -1 1 422.497 4.274 20 0 HIADMM CCC(C)(C)OCc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000541631632 939577343 /nfs/dbraw/zinc/57/73/43/939577343.db2.gz XEJXRNLIADFJNC-UHFFFAOYSA-N -1 1 422.547 4.314 20 0 HIADMM CC(=O)N[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccc(Br)cc1 ZINC000541888031 939649343 /nfs/dbraw/zinc/64/93/43/939649343.db2.gz ZXLCROFJGQKMBB-HNNXBMFYSA-N -1 1 411.683 4.014 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)c(C(F)(F)F)c1 ZINC000542094452 939710184 /nfs/dbraw/zinc/71/01/84/939710184.db2.gz VLQVWWHAKGKJIL-UHFFFAOYSA-N -1 1 407.385 4.361 20 0 HIADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000542456470 939825941 /nfs/dbraw/zinc/82/59/41/939825941.db2.gz IOFAZOOSQJISDW-INIZCTEOSA-N -1 1 404.507 4.135 20 0 HIADMM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000542735118 939858040 /nfs/dbraw/zinc/85/80/40/939858040.db2.gz RSMBTRVXNGPVGH-UHFFFAOYSA-N -1 1 416.568 4.213 20 0 HIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000542755734 939859236 /nfs/dbraw/zinc/85/92/36/939859236.db2.gz QKFUWDBAPVRGFU-HNNXBMFYSA-N -1 1 409.861 4.316 20 0 HIADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000542788097 939860709 /nfs/dbraw/zinc/86/07/09/939860709.db2.gz PWSFZMJIIUOUHN-UHFFFAOYSA-N -1 1 422.261 4.119 20 0 HIADMM CC(C)(C)[C@@H]1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000544293211 940381796 /nfs/dbraw/zinc/38/17/96/940381796.db2.gz JUFPLPWEVUCQLP-QGZVFWFLSA-N -1 1 418.534 4.064 20 0 HIADMM Cc1ccc([C@@H](C)c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)cc1 ZINC000544526254 940471850 /nfs/dbraw/zinc/47/18/50/940471850.db2.gz HSWFGJOOVNKONW-OAHLLOKOSA-N -1 1 401.470 4.181 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(F)c2)c1-c1cccc(Br)c1 ZINC000544668016 940500553 /nfs/dbraw/zinc/50/05/53/940500553.db2.gz VYHQVOPFCSKJAB-UHFFFAOYSA-N -1 1 410.268 4.088 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)C(C)(C)C2)cc1 ZINC000544797179 940514937 /nfs/dbraw/zinc/51/49/37/940514937.db2.gz SQGGGZAYXRDCGU-QGZVFWFLSA-N -1 1 400.544 4.304 20 0 HIADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000544831381 940518166 /nfs/dbraw/zinc/51/81/66/940518166.db2.gz AETSWZNUHDNXQW-VIFPVBQESA-N -1 1 417.193 4.108 20 0 HIADMM CSCC[C@H](C)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544890929 940522299 /nfs/dbraw/zinc/52/22/99/940522299.db2.gz YWQRJSPKOLDRCI-HNNXBMFYSA-N -1 1 407.561 4.093 20 0 HIADMM CN(CCc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544890770 940522314 /nfs/dbraw/zinc/52/23/14/940522314.db2.gz WSYRLIXGNYAYTI-UHFFFAOYSA-N -1 1 409.511 4.194 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(Cc4ccncc4)no3)cc2)c1C ZINC000545007912 940533077 /nfs/dbraw/zinc/53/30/77/940533077.db2.gz YJSUKHNUIGFEDN-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM C[C@@H](c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1)c1ccncc1 ZINC000545093085 940541969 /nfs/dbraw/zinc/54/19/69/940541969.db2.gz XTXJJMVTXAGVCQ-CQSZACIVSA-N -1 1 424.457 4.223 20 0 HIADMM COC1(c2noc(-c3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)cc3)n2)CCC1 ZINC000545106152 940543225 /nfs/dbraw/zinc/54/32/25/940543225.db2.gz OQTRSDYBGFEHBB-UHFFFAOYSA-N -1 1 413.499 4.180 20 0 HIADMM CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)cc1C(=O)[O-] ZINC000545120905 940544515 /nfs/dbraw/zinc/54/45/15/940544515.db2.gz HVXYVJAQTKYPBW-UHFFFAOYSA-N -1 1 405.806 4.003 20 0 HIADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000545120424 940544610 /nfs/dbraw/zinc/54/46/10/940544610.db2.gz FRMSMQTZSKBCED-XMMPIXPASA-N -1 1 411.854 4.038 20 0 HIADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000545122778 940544989 /nfs/dbraw/zinc/54/49/89/940544989.db2.gz FKYIYQMYLZDYGJ-AREMUKBSSA-N -1 1 422.597 4.273 20 0 HIADMM CCOC(=O)c1sc2ncc(S(=O)(=O)[N-]c3c(C)cccc3F)cc2c1C ZINC000545184920 940554844 /nfs/dbraw/zinc/55/48/44/940554844.db2.gz ZRBRWZLVUUHDHC-UHFFFAOYSA-N -1 1 408.476 4.030 20 0 HIADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000545494726 940572002 /nfs/dbraw/zinc/57/20/02/940572002.db2.gz YCZKBIUEVJVWLB-ZFWWWQNUSA-N -1 1 421.278 4.090 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000545509272 940572401 /nfs/dbraw/zinc/57/24/01/940572401.db2.gz IWDQEXLMPAHKIC-YHWKNFMLSA-N -1 1 419.262 4.315 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccccn4)no3)cc2)ccc1F ZINC000545550459 940574433 /nfs/dbraw/zinc/57/44/33/940574433.db2.gz QHYKELSSFIYTQP-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM CCOc1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)OC)s2)cc(Cl)c1[O-] ZINC000545855206 940638876 /nfs/dbraw/zinc/63/88/76/940638876.db2.gz DJEMAPIVDCVUMP-UHFFFAOYSA-N -1 1 412.895 4.237 20 0 HIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(Br)cc3C)c2)n1 ZINC000546020544 940676310 /nfs/dbraw/zinc/67/63/10/940676310.db2.gz HGICACNKOUZLNP-UHFFFAOYSA-N -1 1 422.304 4.225 20 0 HIADMM O=S(=O)([N-]Cc1nc2ccccc2n1C1CC1)c1cc(Cl)sc1Cl ZINC000546072169 940691454 /nfs/dbraw/zinc/69/14/54/940691454.db2.gz MAAXTUWIQYHLBV-UHFFFAOYSA-N -1 1 402.328 4.218 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@@H]1CCc2c1cccc2O ZINC000546216607 940732135 /nfs/dbraw/zinc/73/21/35/940732135.db2.gz FYCZYPDYSFLTJZ-HXUWFJFHSA-N -1 1 423.494 4.002 20 0 HIADMM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000546219424 940732698 /nfs/dbraw/zinc/73/26/98/940732698.db2.gz FDPKCSBLUDIPKY-AWEZNQCLSA-N -1 1 418.412 4.087 20 0 HIADMM CC(C)OCCCc1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000546469481 940828487 /nfs/dbraw/zinc/82/84/87/940828487.db2.gz OVBDBZCGBBWVNB-UHFFFAOYSA-N -1 1 419.478 4.034 20 0 HIADMM COC1(c2noc(-c3cc(S(=O)(=O)[N-]c4cccc(C)c4)ccc3C)n2)CCC1 ZINC000546521324 940842360 /nfs/dbraw/zinc/84/23/60/940842360.db2.gz ZDHDGEPARJFKMQ-UHFFFAOYSA-N -1 1 413.499 4.180 20 0 HIADMM O=C(c1cncc([O-])c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000546720833 940872882 /nfs/dbraw/zinc/87/28/82/940872882.db2.gz BEAAVWAPFSRUAK-OAHLLOKOSA-N -1 1 420.309 4.039 20 0 HIADMM C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000546924091 940914523 /nfs/dbraw/zinc/91/45/23/940914523.db2.gz GPKOMCWLZIGXCY-KRWDZBQOSA-N -1 1 409.511 4.413 20 0 HIADMM CN(C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1Cc2ccccc2C1 ZINC000546927615 940915811 /nfs/dbraw/zinc/91/58/11/940915811.db2.gz RFNCMNAYZBKVQS-UHFFFAOYSA-N -1 1 421.522 4.119 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(CSc2ccc(F)cc2)no1 ZINC000546937187 940919145 /nfs/dbraw/zinc/91/91/45/940919145.db2.gz WCJOIIOGVURWLV-UHFFFAOYSA-N -1 1 423.473 4.152 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)o1 ZINC000546995030 940947705 /nfs/dbraw/zinc/94/77/05/940947705.db2.gz DSDYBCLBXLJHOS-UHFFFAOYSA-N -1 1 415.393 4.092 20 0 HIADMM Cc1cc(C)nc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)n2)c1 ZINC000547147955 941011510 /nfs/dbraw/zinc/01/15/10/941011510.db2.gz PLXDELLWPMAPGO-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CC[C@@H](C)Oc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000547164106 941017627 /nfs/dbraw/zinc/01/76/27/941017627.db2.gz VEFZMENDXKQSFN-CHWSQXEVSA-N -1 1 407.517 4.015 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc(Cl)c1[O-] ZINC000547291486 941053101 /nfs/dbraw/zinc/05/31/01/941053101.db2.gz DZNPMWYYKLXOEO-LJQANCHMSA-N -1 1 403.862 4.097 20 0 HIADMM CCOc1cc(C(=O)NCCc2ccc(F)c(Br)c2)cc(Cl)c1[O-] ZINC000547290475 941053365 /nfs/dbraw/zinc/05/33/65/941053365.db2.gz ZQHZSMUKWCXJAF-UHFFFAOYSA-N -1 1 416.674 4.318 20 0 HIADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)Cc2ccc(-c3ccccc3)cc2)n[n-]1 ZINC000548068054 941085390 /nfs/dbraw/zinc/08/53/90/941085390.db2.gz USAIWLAYTZRGJC-HXUWFJFHSA-N -1 1 420.513 4.095 20 0 HIADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)Cc2ccc(-c3ccccc3)cc2)[n-]1 ZINC000548068054 941085391 /nfs/dbraw/zinc/08/53/91/941085391.db2.gz USAIWLAYTZRGJC-HXUWFJFHSA-N -1 1 420.513 4.095 20 0 HIADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000548068054 941085393 /nfs/dbraw/zinc/08/53/93/941085393.db2.gz USAIWLAYTZRGJC-HXUWFJFHSA-N -1 1 420.513 4.095 20 0 HIADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000548201962 941092198 /nfs/dbraw/zinc/09/21/98/941092198.db2.gz BQQBEMLSVLEQDV-UHFFFAOYSA-N -1 1 407.797 4.475 20 0 HIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC000548230025 941092285 /nfs/dbraw/zinc/09/22/85/941092285.db2.gz SWQPRQVUTWVXMN-UHFFFAOYSA-N -1 1 401.774 4.172 20 0 HIADMM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)ccc21 ZINC000548611673 941115021 /nfs/dbraw/zinc/11/50/21/941115021.db2.gz ZTLBCMFWUCFKRL-UHFFFAOYSA-N -1 1 418.824 4.069 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)C(F)(F)F)c2)cc1 ZINC000548908959 941128846 /nfs/dbraw/zinc/12/88/46/941128846.db2.gz XFUCRWINLRBIIU-UHFFFAOYSA-N -1 1 414.449 4.114 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)c2cccnc12 ZINC000548976093 941137371 /nfs/dbraw/zinc/13/73/71/941137371.db2.gz RDVAVJVTEHHGGZ-UHFFFAOYSA-N -1 1 419.506 4.338 20 0 HIADMM O=C(NCC1CC(c2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000549154889 941166442 /nfs/dbraw/zinc/16/64/42/941166442.db2.gz MSGWHQXRWYKOPT-UHFFFAOYSA-N -1 1 420.534 4.411 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC(C)(C)CC2)c1 ZINC000549761771 941206727 /nfs/dbraw/zinc/20/67/27/941206727.db2.gz QUSAHYHWPYUHCB-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cnn(C(C)C)c3)c2)c1 ZINC000550962226 941386998 /nfs/dbraw/zinc/38/69/98/941386998.db2.gz LCZZWGLFCONAEQ-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CCc1csc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000552182497 941597707 /nfs/dbraw/zinc/59/77/07/941597707.db2.gz XSRVUNHWQFCXDK-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000552442498 941672627 /nfs/dbraw/zinc/67/26/27/941672627.db2.gz ZGTZWCJEYBXKEU-QGZVFWFLSA-N -1 1 400.194 4.144 20 0 HIADMM COCCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1Cl ZINC000552616521 941724595 /nfs/dbraw/zinc/72/45/95/941724595.db2.gz DZEOURILANEGFD-UHFFFAOYSA-N -1 1 408.278 4.267 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1n[nH]c(-c2ccccc2)c1Br ZINC000552686905 941738022 /nfs/dbraw/zinc/73/80/22/941738022.db2.gz LUMCEWQKKNOJLT-UHFFFAOYSA-N -1 1 424.258 4.187 20 0 HIADMM CC1(C)CN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@@H]1c1cccnc1 ZINC000553088724 941830815 /nfs/dbraw/zinc/83/08/15/941830815.db2.gz IXEPURFVNDHJLM-GOSISDBHSA-N -1 1 412.287 4.321 20 0 HIADMM COCCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccccc1 ZINC000553546286 941906170 /nfs/dbraw/zinc/90/61/70/941906170.db2.gz WJTQLYJWAXKSDJ-MRXNPFEDSA-N -1 1 403.878 4.455 20 0 HIADMM CCCCN(C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H](C)c1ccccc1 ZINC000553730615 941954105 /nfs/dbraw/zinc/95/41/05/941954105.db2.gz XQOBFMDOMHXUCM-GOSISDBHSA-N -1 1 404.514 4.073 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000554686355 942198730 /nfs/dbraw/zinc/19/87/30/942198730.db2.gz FXNRPWCEAASDGB-UHFFFAOYSA-N -1 1 420.840 4.252 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000555799263 942737275 /nfs/dbraw/zinc/73/72/75/942737275.db2.gz AEMUXPPYHLWURK-OAQYLSRUSA-N -1 1 420.490 4.186 20 0 HIADMM COc1ccc(O[C@H](C)C(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000556851081 942939978 /nfs/dbraw/zinc/93/99/78/942939978.db2.gz MDQUUZLATFXAGO-SECBINFHSA-N -1 1 400.656 4.223 20 0 HIADMM COCCC[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccc(Cl)cc1 ZINC000557342621 943079666 /nfs/dbraw/zinc/07/96/66/943079666.db2.gz OVYWOEVUGQUOHU-INIZCTEOSA-N -1 1 419.953 4.382 20 0 HIADMM O=c1[n-]c(C2CCN(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)n[nH]1 ZINC000558162848 943403208 /nfs/dbraw/zinc/40/32/08/943403208.db2.gz FXGLRFXBNKPYDB-UHFFFAOYSA-N -1 1 409.437 4.032 20 0 HIADMM COc1ccc(NC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000558382285 943536909 /nfs/dbraw/zinc/53/69/09/943536909.db2.gz QXMIUTAIMJVMRZ-BEFAXECRSA-N -1 1 417.531 4.072 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@H]1CC2CCC1CC2 ZINC000559509526 943989578 /nfs/dbraw/zinc/98/95/78/943989578.db2.gz YBKMAUYXTJFRGQ-FQVRHNBASA-N -1 1 412.555 4.272 20 0 HIADMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000559584330 944011685 /nfs/dbraw/zinc/01/16/85/944011685.db2.gz CHGRFHWDBRUFIJ-MLGOLLRUSA-N -1 1 406.433 4.388 20 0 HIADMM CC(C)n1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cn1 ZINC000559712476 944034027 /nfs/dbraw/zinc/03/40/27/944034027.db2.gz RNKNFCXBQCNQOE-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)nc3)cc(Cl)c2O1 ZINC000559937151 944092183 /nfs/dbraw/zinc/09/21/83/944092183.db2.gz ASUSZAZTBAOOFO-GFCCVEGCSA-N -1 1 417.874 4.047 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccco4)no3)cc2)cc1 ZINC000559971205 944104849 /nfs/dbraw/zinc/10/48/49/944104849.db2.gz WGIIRBDURKSJLH-UHFFFAOYSA-N -1 1 411.439 4.196 20 0 HIADMM O=C([O-])C[C@@H](NCc1cnn(-c2ccc(F)cc2)c1)c1cccc(C(F)(F)F)c1 ZINC000559981024 944109130 /nfs/dbraw/zinc/10/91/30/944109130.db2.gz FCJNPAZFORUXGA-GOSISDBHSA-N -1 1 407.367 4.336 20 0 HIADMM O=S(=O)([N-][C@H](c1cncc(Br)c1)C1CC1)c1cc(Cl)ccc1F ZINC000560016636 944131158 /nfs/dbraw/zinc/13/11/58/944131158.db2.gz UJKVOEHWFHZDMS-HNNXBMFYSA-N -1 1 419.703 4.066 20 0 HIADMM Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2[nH]1 ZINC000560792094 944333651 /nfs/dbraw/zinc/33/36/51/944333651.db2.gz IDMLGYKQAURMRP-UHFFFAOYSA-N -1 1 419.506 4.207 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000560971760 944380932 /nfs/dbraw/zinc/38/09/32/944380932.db2.gz VKIRINYXKSYIMZ-UHFFFAOYSA-N -1 1 415.490 4.200 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CC(C2CCC2)C1 ZINC000561095506 944446669 /nfs/dbraw/zinc/44/66/69/944446669.db2.gz UGEDJZPPJOHFOW-UHFFFAOYSA-N -1 1 404.919 4.013 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc4ccccn4n3)cc2)cc1C ZINC000561154423 944484962 /nfs/dbraw/zinc/48/49/62/944484962.db2.gz TWPIWASSGQTYRX-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)c1 ZINC000564261316 945479017 /nfs/dbraw/zinc/47/90/17/945479017.db2.gz NLIDLDPIZNBWTK-UHFFFAOYSA-N -1 1 418.902 4.261 20 0 HIADMM COc1ccc(NC(=O)C2(Cc3cccs3)CCCCC2)cc1[N-]S(C)(=O)=O ZINC000564399297 945554174 /nfs/dbraw/zinc/55/41/74/945554174.db2.gz COLCAODGDONGPO-UHFFFAOYSA-N -1 1 422.572 4.260 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000564538262 945660757 /nfs/dbraw/zinc/66/07/57/945660757.db2.gz PIURDZNEILYSHR-CQSZACIVSA-N -1 1 406.280 4.173 20 0 HIADMM COc1cnc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(Br)c1 ZINC000564555956 945675893 /nfs/dbraw/zinc/67/58/93/945675893.db2.gz ALXLJAGMJJUPNN-UHFFFAOYSA-N -1 1 419.300 4.321 20 0 HIADMM CC(C)c1scnc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000565567049 945850687 /nfs/dbraw/zinc/85/06/87/945850687.db2.gz OTKSOWCSXPCLJD-UHFFFAOYSA-N -1 1 419.503 4.459 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccc(Br)cc1 ZINC000566524535 946031339 /nfs/dbraw/zinc/03/13/39/946031339.db2.gz RJHSPGWTRCINFW-UHFFFAOYSA-N -1 1 405.273 4.437 20 0 HIADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000566789821 946099614 /nfs/dbraw/zinc/09/96/14/946099614.db2.gz KSOHJESLBTVGOW-HNNXBMFYSA-N -1 1 404.507 4.325 20 0 HIADMM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cn1 ZINC000566819948 946114281 /nfs/dbraw/zinc/11/42/81/946114281.db2.gz IHEBLEUIZQKJEP-UHFFFAOYSA-N -1 1 413.833 4.273 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(C(C)(C)c2ccc(Cl)cc2)no1 ZINC000567279545 946288391 /nfs/dbraw/zinc/28/83/91/946288391.db2.gz OZUKBDUYAQTXLT-NSHDSACASA-N -1 1 411.936 4.150 20 0 HIADMM O=C(CCSc1nc(C(F)F)cc(=O)[n-]1)Nc1cccc(Br)c1 ZINC000568450702 946554368 /nfs/dbraw/zinc/55/43/68/946554368.db2.gz MYLCIEFFZQQOAT-UHFFFAOYSA-N -1 1 404.236 4.003 20 0 HIADMM COCCCOc1cc(C)ccc1-c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000570192310 947131747 /nfs/dbraw/zinc/13/17/47/947131747.db2.gz PBVGWHOFRCUMMA-UHFFFAOYSA-N -1 1 418.453 4.081 20 0 HIADMM COc1ccc(C(C)(C)c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)cc1OC ZINC000570200625 947139996 /nfs/dbraw/zinc/13/99/96/947139996.db2.gz OJDXHYSQCPCLNY-UHFFFAOYSA-N -1 1 418.453 4.034 20 0 HIADMM Cc1ccc(C2(c3noc(-c4[n-]cnc4C(=O)c4ccccc4)n3)CCOCC2)cc1 ZINC000570856116 947371399 /nfs/dbraw/zinc/37/13/99/947371399.db2.gz VREJULYDXPUYBR-UHFFFAOYSA-N -1 1 414.465 4.096 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)o1 ZINC000571084328 947479881 /nfs/dbraw/zinc/47/98/81/947479881.db2.gz MIKCHNMLDZYZPY-UHFFFAOYSA-N -1 1 424.828 4.281 20 0 HIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)OC ZINC000571100511 947497139 /nfs/dbraw/zinc/49/71/39/947497139.db2.gz BOZRNFPBYHGYFF-UHFFFAOYSA-N -1 1 420.487 4.073 20 0 HIADMM COc1ccc(-c2nsc([N-]C(=O)c3sc(C(C)(C)OC)nc3C)n2)cc1 ZINC000571334552 947600799 /nfs/dbraw/zinc/60/07/99/947600799.db2.gz SRYDNEZDTBCKME-UHFFFAOYSA-N -1 1 404.517 4.112 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000572747166 948000333 /nfs/dbraw/zinc/00/03/33/948000333.db2.gz AWVOWGOUAHZNGK-UHFFFAOYSA-N -1 1 413.405 4.483 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000573143213 948087307 /nfs/dbraw/zinc/08/73/07/948087307.db2.gz QBSHFMCXPGKTIU-QHCPKHFHSA-N -1 1 424.497 4.198 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c2cccnc12 ZINC000573195551 948109108 /nfs/dbraw/zinc/10/91/08/948109108.db2.gz AWOUEOUERWXFOP-UHFFFAOYSA-N -1 1 405.479 4.415 20 0 HIADMM COc1cc2c(cc1OC)CN(Cc1c(C(=O)[O-])sc3cccc(F)c31)CC2 ZINC000573890199 948323064 /nfs/dbraw/zinc/32/30/64/948323064.db2.gz XQFMUUMANRZUFN-UHFFFAOYSA-N -1 1 401.459 4.314 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)[C@H]1COc2ccccc21 ZINC000574020384 948350130 /nfs/dbraw/zinc/35/01/30/948350130.db2.gz SKJXFCGDRMYLES-VIFPVBQESA-N -1 1 413.065 4.032 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3Nc3ccccc3F)ccc2N1 ZINC000574072307 948357460 /nfs/dbraw/zinc/35/74/60/948357460.db2.gz RPWDRFBULFKZEO-UHFFFAOYSA-N -1 1 415.421 4.004 20 0 HIADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccccc2-c2c(F)cccc2F)c1 ZINC000574329914 948414575 /nfs/dbraw/zinc/41/45/75/948414575.db2.gz JMGBIQAKFIYEAN-UHFFFAOYSA-N -1 1 417.433 4.148 20 0 HIADMM C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)C2)C1 ZINC000574356895 948421614 /nfs/dbraw/zinc/42/16/14/948421614.db2.gz CNVNTHMBIKWVQL-AOMKIAJQSA-N -1 1 416.518 4.279 20 0 HIADMM O=C(NCCOc1ccc2cc(Br)ccc2c1)c1c(F)ccc([O-])c1F ZINC000574676967 948503505 /nfs/dbraw/zinc/50/35/05/948503505.db2.gz UAOGHLSCEUSOLT-UHFFFAOYSA-N -1 1 422.225 4.395 20 0 HIADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1nccnc1-c1nc2ccccc2s1 ZINC000574892670 948549895 /nfs/dbraw/zinc/54/98/95/948549895.db2.gz HAPLRPKMFQDHBE-UHFFFAOYSA-N -1 1 405.487 4.102 20 0 HIADMM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c2ccccc12 ZINC000575018409 948573631 /nfs/dbraw/zinc/57/36/31/948573631.db2.gz AAETZVJBBUHFJP-UHFFFAOYSA-N -1 1 421.421 4.130 20 0 HIADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000575840484 948737173 /nfs/dbraw/zinc/73/71/73/948737173.db2.gz WNRGPRPRKUAEMP-QFIPXVFZSA-N -1 1 423.538 4.496 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3CCC(F)(F)C3)cc2)cc1C ZINC000435954220 861217318 /nfs/dbraw/zinc/21/73/18/861217318.db2.gz BCMNRKAMTPCLOC-INIZCTEOSA-N -1 1 422.497 4.269 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H]3CCC(F)(F)C3)cc2)cc1C ZINC000435959245 861220493 /nfs/dbraw/zinc/22/04/93/861220493.db2.gz NNRNYPLYNQGRQE-MRXNPFEDSA-N -1 1 422.497 4.269 20 0 HIADMM CC(C)[C@H]1CCCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000435971986 861235018 /nfs/dbraw/zinc/23/50/18/861235018.db2.gz KILQOSQBYFFKDE-IBGZPJMESA-N -1 1 415.559 4.065 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000436014269 861307363 /nfs/dbraw/zinc/30/73/63/861307363.db2.gz DUJLCXABVFRFRI-UHFFFAOYSA-N -1 1 402.497 4.363 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2)ccc1F ZINC000436041566 861331111 /nfs/dbraw/zinc/33/11/11/861331111.db2.gz UVWVWMCOBXMCFT-RBBKRZOGSA-N -1 1 424.497 4.221 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000436047987 861335785 /nfs/dbraw/zinc/33/57/85/861335785.db2.gz UOISHWWSQKNWBN-JTHBVZDNSA-N -1 1 420.534 4.390 20 0 HIADMM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1(C)C ZINC000436094884 861377144 /nfs/dbraw/zinc/37/71/44/861377144.db2.gz XPUAKYSYIFDOHL-BEFAXECRSA-N -1 1 414.527 4.067 20 0 HIADMM CCOC(=O)[C@H](Sc1nc(CC)cc(=O)[n-]1)c1ccc(Br)cc1F ZINC000436200577 861501003 /nfs/dbraw/zinc/50/10/03/861501003.db2.gz XMZSMNPIVWAGCA-CQSZACIVSA-N -1 1 415.284 4.043 20 0 HIADMM C[C@@H](Oc1ccccc1)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005172195 845086118 /nfs/dbraw/zinc/08/61/18/845086118.db2.gz GPGLMOXZWPVIMU-CQSZACIVSA-N -1 1 406.463 4.162 20 0 HIADMM CN(C)c1cccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1 ZINC000005171832 845086685 /nfs/dbraw/zinc/08/66/85/845086685.db2.gz OOPNACQSLAJYKT-UHFFFAOYSA-N -1 1 405.479 4.075 20 0 HIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)C1c2ccccc2Oc2ccccc21 ZINC000006612054 845213831 /nfs/dbraw/zinc/21/38/31/845213831.db2.gz MGVRVGDKVUVSOK-UHFFFAOYSA-N -1 1 400.386 4.480 20 0 HIADMM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000006650182 845217205 /nfs/dbraw/zinc/21/72/05/845217205.db2.gz JQFMEKXBHHGOQZ-UHFFFAOYSA-N -1 1 410.211 4.066 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1I ZINC000007051272 845242686 /nfs/dbraw/zinc/24/26/86/845242686.db2.gz OROUQCKZQUDBBT-UHFFFAOYSA-N -1 1 407.660 4.054 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000436242273 861550055 /nfs/dbraw/zinc/55/00/55/861550055.db2.gz DYZMUPOCXBOXII-OAQYLSRUSA-N -1 1 423.563 4.388 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3F)c2)c1 ZINC000007227459 845288890 /nfs/dbraw/zinc/28/88/90/845288890.db2.gz VCZSJFBXAVYBTP-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1ccccc1NC(=O)Cc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000436247218 861556537 /nfs/dbraw/zinc/55/65/37/861556537.db2.gz SYCGZMSFJBFJKI-UHFFFAOYSA-N -1 1 412.540 4.298 20 0 HIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)cs1 ZINC000007726378 845398749 /nfs/dbraw/zinc/39/87/49/845398749.db2.gz QWEBYSQGPHNPOM-UHFFFAOYSA-N -1 1 413.524 4.046 20 0 HIADMM O=C(NCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000007918410 845446483 /nfs/dbraw/zinc/44/64/83/845446483.db2.gz AMQIGOYBBJPQHJ-UHFFFAOYSA-N -1 1 400.887 4.071 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCCC[C@H]3C)c2)cc1 ZINC000008033562 845465552 /nfs/dbraw/zinc/46/55/52/845465552.db2.gz PMDOCZPXOBJYEW-IERDGZPVSA-N -1 1 416.543 4.195 20 0 HIADMM O=C(Nc1ccc2c(c1)CCC2)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008033662 845465737 /nfs/dbraw/zinc/46/57/37/845465737.db2.gz GSXZHTXUHYZCTI-UHFFFAOYSA-N -1 1 410.470 4.368 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3C)c2)c1 ZINC000008240738 845496745 /nfs/dbraw/zinc/49/67/45/845496745.db2.gz WQLAESNJSBPUBC-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM CN(Cc1ccccc1F)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008244505 845497160 /nfs/dbraw/zinc/49/71/60/845497160.db2.gz NLHOWLMLXQWRCI-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM CC(Nc1cccc(Nc2ccccc2)c1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000009875511 845599645 /nfs/dbraw/zinc/59/96/45/845599645.db2.gz HMZXPMGJZUFOEN-CYVLTUHYSA-N -1 1 408.527 4.015 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCCC3)cc2)cc1 ZINC000009903201 845602131 /nfs/dbraw/zinc/60/21/31/845602131.db2.gz QQVODRFASPSLJM-UHFFFAOYSA-N -1 1 414.527 4.096 20 0 HIADMM O=C(NCC1(c2ccccc2)CC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000009943418 845607210 /nfs/dbraw/zinc/60/72/10/845607210.db2.gz OWQYSHMSUZHJNU-UHFFFAOYSA-N -1 1 424.497 4.088 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCc1csc(-c2ccccc2)n1 ZINC000010894009 845723174 /nfs/dbraw/zinc/72/31/74/845723174.db2.gz UAQHHRUSWDYDLS-UHFFFAOYSA-N -1 1 413.553 4.109 20 0 HIADMM O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000011373249 845786124 /nfs/dbraw/zinc/78/61/24/845786124.db2.gz KIFSLMYHJPBFND-ACCUITESSA-N -1 1 409.438 4.067 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCCOc2ccccc2F)c1 ZINC000012392226 845869448 /nfs/dbraw/zinc/86/94/48/845869448.db2.gz RGTWCWDQVPVOIN-UHFFFAOYSA-N -1 1 414.506 4.031 20 0 HIADMM Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000013349949 845915151 /nfs/dbraw/zinc/91/51/51/845915151.db2.gz IEWYECPIQUQKQW-UHFFFAOYSA-N -1 1 424.478 4.055 20 0 HIADMM CN(Cc1nc2ccccc2s1)C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000014701539 845971328 /nfs/dbraw/zinc/97/13/28/845971328.db2.gz HQQLASOTURLZQV-UHFFFAOYSA-N -1 1 415.569 4.328 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N[C@@H]1CCSc2ccccc21 ZINC000014701289 845971461 /nfs/dbraw/zinc/97/14/61/845971461.db2.gz BOFPFNFMBZQBOH-CYBMUJFWSA-N -1 1 402.570 4.413 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000015268642 846026952 /nfs/dbraw/zinc/02/69/52/846026952.db2.gz CSVSEIUJLJZEBH-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000015351651 846037915 /nfs/dbraw/zinc/03/79/15/846037915.db2.gz PHXLKRKBLVMYAA-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000015433689 846048644 /nfs/dbraw/zinc/04/86/44/846048644.db2.gz JPUGPTICGBGBEP-UHFFFAOYSA-N -1 1 400.422 4.036 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)c1C ZINC000015563549 846062943 /nfs/dbraw/zinc/06/29/43/846062943.db2.gz VVLAIWMRAQGCBR-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccc(F)cc1F ZINC000015564157 846063337 /nfs/dbraw/zinc/06/33/37/846063337.db2.gz FRMBYFARBSLXTF-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1ccccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015744166 846089169 /nfs/dbraw/zinc/08/91/69/846089169.db2.gz YMXZXWWTVJUCMY-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)c1ccc([O-])cc1 ZINC000015814476 846095299 /nfs/dbraw/zinc/09/52/99/846095299.db2.gz IMJIGHMREFQZKP-UHFFFAOYSA-N -1 1 406.438 4.205 20 0 HIADMM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC000015924078 846104100 /nfs/dbraw/zinc/10/41/00/846104100.db2.gz MENYEPGHAFRGGF-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CCOc1ccc(O[C@@H](C)C(=O)N[N-]C(=O)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000016056962 846117269 /nfs/dbraw/zinc/11/72/69/846117269.db2.gz KNHWGLRLPMUYEO-ZDUSSCGKSA-N -1 1 416.861 4.022 20 0 HIADMM O=C([N-]NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)[nH]n1 ZINC000016187252 846135467 /nfs/dbraw/zinc/13/54/67/846135467.db2.gz JWTMJEHKJRPMPA-UHFFFAOYSA-N -1 1 406.298 4.015 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)c1 ZINC000017304129 846242509 /nfs/dbraw/zinc/24/25/09/846242509.db2.gz KYEZSPSQLYJSRJ-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)c1C ZINC000017334524 846246801 /nfs/dbraw/zinc/24/68/01/846246801.db2.gz JIIPKRHKSNXTEK-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccncc3)c2)cc1 ZINC000017585827 846259600 /nfs/dbraw/zinc/25/96/00/846259600.db2.gz SSIMPHZCTZVCNC-UHFFFAOYSA-N -1 1 409.511 4.477 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)c(F)c1 ZINC000018016576 846284261 /nfs/dbraw/zinc/28/42/61/846284261.db2.gz MRPJLBCQGNWUTE-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCCSc2ccc(F)cc2)cc1 ZINC000018022734 846286371 /nfs/dbraw/zinc/28/63/71/846286371.db2.gz SGRRSMBQNZYAHV-UHFFFAOYSA-N -1 1 416.547 4.354 20 0 HIADMM CCOc1ccc(CN(C)C(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)cc1 ZINC000018074164 846291197 /nfs/dbraw/zinc/29/11/97/846291197.db2.gz HVVPMEIOMBDMMO-UHFFFAOYSA-N -1 1 410.543 4.364 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1C ZINC000018081701 846292872 /nfs/dbraw/zinc/29/28/72/846292872.db2.gz HUTACINZSFAMTJ-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC000018124860 846299485 /nfs/dbraw/zinc/29/94/85/846299485.db2.gz AAHSUUJXLADNLK-KRWDZBQOSA-N -1 1 424.522 4.329 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N(C)Cc2ccc3ccccc3c2)cc1 ZINC000018123847 846300071 /nfs/dbraw/zinc/30/00/71/846300071.db2.gz GZCHWIFTBXYLGC-UHFFFAOYSA-N -1 1 418.522 4.428 20 0 HIADMM COc1ccc2cc(CN(C)C(=O)Cn3c(=S)[n-]nc3-c3cccs3)ccc2c1 ZINC000018213107 846309840 /nfs/dbraw/zinc/30/98/40/846309840.db2.gz BBQNVBIMLLKUED-UHFFFAOYSA-N -1 1 424.551 4.490 20 0 HIADMM O=C(Nc1cccc2cnccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000021219276 846418655 /nfs/dbraw/zinc/41/86/55/846418655.db2.gz VOEOIBFDDMCJCL-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCc3ccccc32)c1 ZINC000021278829 846423693 /nfs/dbraw/zinc/42/36/93/846423693.db2.gz METSOGIYEKOHEJ-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3cccc4ccccc43)s2)cc1 ZINC000021863950 846504174 /nfs/dbraw/zinc/50/41/74/846504174.db2.gz IRGIFTIVUWNJJF-LJQANCHMSA-N -1 1 405.479 4.287 20 0 HIADMM O=C(NCCc1cccc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021925076 846512118 /nfs/dbraw/zinc/51/21/18/846512118.db2.gz JKPITAGEHPAXBC-UHFFFAOYSA-N -1 1 414.914 4.113 20 0 HIADMM Cc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1[N+](=O)[O-] ZINC000022044576 846524465 /nfs/dbraw/zinc/52/44/65/846524465.db2.gz IISQOHMTANGCSF-UHFFFAOYSA-N -1 1 421.434 4.225 20 0 HIADMM COc1ccc(C(=O)[N-]C(=O)CSc2nc(C)c(C)n2C2CCCCC2)cc1 ZINC000022216157 846546004 /nfs/dbraw/zinc/54/60/04/846546004.db2.gz LWJIHNPRAWSOJK-UHFFFAOYSA-N -1 1 401.532 4.062 20 0 HIADMM O=C([O-])c1ccccc1OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022443906 846571400 /nfs/dbraw/zinc/57/14/00/846571400.db2.gz RJARNGMHUURAIC-UHFFFAOYSA-N -1 1 416.521 4.171 20 0 HIADMM COc1ccc(C(=O)[N-]C(=O)CSc2nccn2-c2ccccc2C(C)C)cc1 ZINC000022492024 846578234 /nfs/dbraw/zinc/57/82/34/846578234.db2.gz HOHHZIPUQWWAMP-UHFFFAOYSA-N -1 1 409.511 4.053 20 0 HIADMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000022958804 846640066 /nfs/dbraw/zinc/64/00/66/846640066.db2.gz KFUNRQVWEWNEGN-UHFFFAOYSA-N -1 1 410.211 4.457 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1cccs1 ZINC000022993236 846646660 /nfs/dbraw/zinc/64/66/60/846646660.db2.gz XBKBPGOGUPFIRC-UHFFFAOYSA-N -1 1 408.888 4.160 20 0 HIADMM C[C@H]1CC[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000436371926 861711358 /nfs/dbraw/zinc/71/13/58/861711358.db2.gz ULBHXMQMEOGHER-KBPBESRZSA-N -1 1 408.470 4.026 20 0 HIADMM CN(Cc1ccsc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000023957853 846762887 /nfs/dbraw/zinc/76/28/87/846762887.db2.gz ORWBCJBARRLPCT-UHFFFAOYSA-N -1 1 420.943 4.475 20 0 HIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000024432544 846822875 /nfs/dbraw/zinc/82/28/75/846822875.db2.gz SGHRBKDKUMILHX-UHFFFAOYSA-N -1 1 400.422 4.491 20 0 HIADMM CCCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000025343445 846963765 /nfs/dbraw/zinc/96/37/65/846963765.db2.gz FBHAQTIPWAGZER-UHFFFAOYSA-N -1 1 404.532 4.196 20 0 HIADMM COc1ccccc1OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000025514513 846990099 /nfs/dbraw/zinc/99/00/99/846990099.db2.gz FASSUWXSCRHGCZ-UHFFFAOYSA-N -1 1 415.442 4.163 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000025549336 846998654 /nfs/dbraw/zinc/99/86/54/846998654.db2.gz SKDMBUNTAHHIIW-UHFFFAOYSA-N -1 1 405.679 4.488 20 0 HIADMM CC(C)CC(=O)Nc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000026388431 847138434 /nfs/dbraw/zinc/13/84/34/847138434.db2.gz MWMBOSBNTADOAM-UHFFFAOYSA-N -1 1 415.544 4.292 20 0 HIADMM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1OC ZINC000026532277 847165174 /nfs/dbraw/zinc/16/51/74/847165174.db2.gz GDLZPWRDOCIERH-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM CCCc1sc(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)cc1CC ZINC000026948469 847225674 /nfs/dbraw/zinc/22/56/74/847225674.db2.gz FLFTXKRQBVDRHF-UHFFFAOYSA-N -1 1 401.557 4.297 20 0 HIADMM CC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000026998413 847232730 /nfs/dbraw/zinc/23/27/30/847232730.db2.gz GZVJGYULYNRXCZ-GOSISDBHSA-N -1 1 404.507 4.340 20 0 HIADMM CC(C)[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000027181349 847263562 /nfs/dbraw/zinc/26/35/62/847263562.db2.gz SCZKBKASCJFZTR-ZDUSSCGKSA-N -1 1 412.914 4.396 20 0 HIADMM O=C(Nc1ccccn1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000027654158 847332930 /nfs/dbraw/zinc/33/29/30/847332930.db2.gz KNUSYZSARKFPHB-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000028199790 847395857 /nfs/dbraw/zinc/39/58/57/847395857.db2.gz SZMLXKXKQZJYDC-GJZGRUSLSA-N -1 1 404.507 4.053 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c(Br)c1 ZINC000028240435 847398092 /nfs/dbraw/zinc/39/80/92/847398092.db2.gz RFZIDZZWJHKZAR-UHFFFAOYSA-N -1 1 410.120 4.447 20 0 HIADMM Cc1ccc(C(=O)N2CCCC[C@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000028494275 847427859 /nfs/dbraw/zinc/42/78/59/847427859.db2.gz DNGDJPXSODSSPG-OAHLLOKOSA-N -1 1 406.935 4.464 20 0 HIADMM Cc1ccc(C(=O)N2CCCC[C@@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000028494278 847427887 /nfs/dbraw/zinc/42/78/87/847427887.db2.gz DNGDJPXSODSSPG-HNNXBMFYSA-N -1 1 406.935 4.464 20 0 HIADMM O=C(NCC1CCCCC1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000028734315 847453243 /nfs/dbraw/zinc/45/32/43/847453243.db2.gz YLKCAKZSBCYKOK-UHFFFAOYSA-N -1 1 408.470 4.076 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000029047220 847497731 /nfs/dbraw/zinc/49/77/31/847497731.db2.gz XDYGPGHJOJAQLO-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000029048235 847497815 /nfs/dbraw/zinc/49/78/15/847497815.db2.gz GRVDHJLFDHWAOV-FQEVSTJZSA-N -1 1 405.516 4.080 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)ns1 ZINC000436441706 861803743 /nfs/dbraw/zinc/80/37/43/861803743.db2.gz ICFLXIZBMLIOQU-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM Cc1nc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)sc1C ZINC000029579685 847583131 /nfs/dbraw/zinc/58/31/31/847583131.db2.gz HXXBRPPWUVBIFD-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[C@H](C)C3)cc2)cc1 ZINC000029997904 847667457 /nfs/dbraw/zinc/66/74/57/847667457.db2.gz PNIZEBBUMYXDQB-FXAWDEMLSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCC[C@H](C)C3)cc2)cc1 ZINC000029997908 847667751 /nfs/dbraw/zinc/66/77/51/847667751.db2.gz PNIZEBBUMYXDQB-PXNSSMCTSA-N -1 1 400.544 4.447 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3)c([O-])c2)c1 ZINC000030016915 847671420 /nfs/dbraw/zinc/67/14/20/847671420.db2.gz LZMDIQRWPLMYJA-OAHLLOKOSA-N -1 1 420.465 4.153 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)Nc3ccc(F)cc3)c2)c1 ZINC000030035524 847675579 /nfs/dbraw/zinc/67/55/79/847675579.db2.gz UHLJRSVZPYHHRE-UHFFFAOYSA-N -1 1 410.401 4.053 20 0 HIADMM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1c(Cl)cc(Cl)cc1Cl ZINC000436480664 861820318 /nfs/dbraw/zinc/82/03/18/861820318.db2.gz ZGULPTHGCWDHPE-UHFFFAOYSA-N -1 1 421.668 4.372 20 0 HIADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000030381838 847709551 /nfs/dbraw/zinc/70/95/51/847709551.db2.gz RRFVORIRJJXEQI-MGPUTAFESA-N -1 1 404.507 4.277 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)C(C)(C)C)c2)cc1 ZINC000030424723 847714621 /nfs/dbraw/zinc/71/46/21/847714621.db2.gz FNPYUOGHTMAKJM-OAHLLOKOSA-N -1 1 404.532 4.003 20 0 HIADMM C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])[C@@H]1CCOC1 ZINC000436487592 861821166 /nfs/dbraw/zinc/82/11/66/861821166.db2.gz JZFAXAQLRBUZSL-DGCLKSJQSA-N -1 1 423.296 4.106 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OCC(C)C)c(Cl)c3)ccc21 ZINC000030532207 847730765 /nfs/dbraw/zinc/73/07/65/847730765.db2.gz YNSMBRYEOMHBFA-UHFFFAOYSA-N -1 1 422.934 4.085 20 0 HIADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436498208 861825653 /nfs/dbraw/zinc/82/56/53/861825653.db2.gz VMCWEAJIZPQCTJ-AWEZNQCLSA-N -1 1 404.894 4.324 20 0 HIADMM O=C(NCC1CCC(F)(F)CC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436514790 861831407 /nfs/dbraw/zinc/83/14/07/861831407.db2.gz PSTYDMCAKWYHCH-IBGZPJMESA-N -1 1 416.468 4.092 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 ZINC000030685055 847758183 /nfs/dbraw/zinc/75/81/83/847758183.db2.gz RVLDEEVRJWVBQV-UHFFFAOYSA-N -1 1 410.543 4.398 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)c1 ZINC000436515729 861831887 /nfs/dbraw/zinc/83/18/87/861831887.db2.gz STGUJUIDTGVZFP-UHFFFAOYSA-N -1 1 406.438 4.022 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c1 ZINC000436513074 861831018 /nfs/dbraw/zinc/83/10/18/861831018.db2.gz ZQCZYIDVZYTZIN-CABCVRRESA-N -1 1 408.479 4.477 20 0 HIADMM O=C(Nc1ccc(C(=O)NCc2ccoc2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436515585 861832014 /nfs/dbraw/zinc/83/20/14/861832014.db2.gz SHUDTEKPWQFHAU-UHFFFAOYSA-N -1 1 405.237 4.474 20 0 HIADMM Cc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000031057945 847816169 /nfs/dbraw/zinc/81/61/69/847816169.db2.gz QRBGPVBOKSZQRF-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2(C(F)F)CC2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436519125 861832860 /nfs/dbraw/zinc/83/28/60/861832860.db2.gz VENLVHDRJPCYNN-UHFFFAOYSA-N -1 1 415.223 4.479 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCC2CCCC2)cc1 ZINC000031146078 847829923 /nfs/dbraw/zinc/82/99/23/847829923.db2.gz ODYMYWJMKZBXOG-UHFFFAOYSA-N -1 1 402.564 4.483 20 0 HIADMM CCOCCCn1c(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)nc2ccccc21 ZINC000436529275 861837373 /nfs/dbraw/zinc/83/73/73/861837373.db2.gz BAFUYYAAXJKLKY-UHFFFAOYSA-N -1 1 417.893 4.473 20 0 HIADMM CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1C ZINC000436530731 861837966 /nfs/dbraw/zinc/83/79/66/861837966.db2.gz FOCPOTSBPKSJQE-JOCHJYFZSA-N -1 1 416.477 4.300 20 0 HIADMM COCc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436531707 861838023 /nfs/dbraw/zinc/83/80/23/861838023.db2.gz WGFPUSVWDMXILH-UHFFFAOYSA-N -1 1 412.392 4.321 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCCC[C@@H]3C)c2)c1 ZINC000031382832 847873134 /nfs/dbraw/zinc/87/31/34/847873134.db2.gz CXBWEAMUWUVHSI-UWJYYQICSA-N -1 1 400.544 4.447 20 0 HIADMM C[C@H](c1ccncc1)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436537166 861841313 /nfs/dbraw/zinc/84/13/13/861841313.db2.gz GIUQOBQADPJDRR-CYBMUJFWSA-N -1 1 411.408 4.151 20 0 HIADMM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(Br)cc3[O-])nc2c1 ZINC000436538694 861842472 /nfs/dbraw/zinc/84/24/72/861842472.db2.gz IYRQBJQACJAALZ-MRXNPFEDSA-N -1 1 400.276 4.317 20 0 HIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(Br)cc3[O-])[nH]c2c1 ZINC000436538694 861842475 /nfs/dbraw/zinc/84/24/75/861842475.db2.gz IYRQBJQACJAALZ-MRXNPFEDSA-N -1 1 400.276 4.317 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)C1 ZINC000031680320 847927412 /nfs/dbraw/zinc/92/74/12/847927412.db2.gz YQRHHIICBBMLRR-INIZCTEOSA-N -1 1 404.507 4.197 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](CC)C3)cc2)cc1 ZINC000031681350 847928586 /nfs/dbraw/zinc/92/85/86/847928586.db2.gz ISBDTTSOZZUUDJ-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](CC)C3)cc2)cc1 ZINC000031681354 847928637 /nfs/dbraw/zinc/92/86/37/847928637.db2.gz ISBDTTSOZZUUDJ-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)C1 ZINC000031681358 847928968 /nfs/dbraw/zinc/92/89/68/847928968.db2.gz LRMGVNWJUHWREX-GOSISDBHSA-N -1 1 400.544 4.366 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)C(C)C)cc2)cc1 ZINC000031716339 847936812 /nfs/dbraw/zinc/93/68/12/847936812.db2.gz IUYNYQGKZBLIHP-INIZCTEOSA-N -1 1 404.532 4.003 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3c3cccnc3)c2)cc1 ZINC000031940815 847967533 /nfs/dbraw/zinc/96/75/33/847967533.db2.gz ODUVXYJJTOUMBJ-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)CCO4)ccc2C)c1 ZINC000032018109 847978762 /nfs/dbraw/zinc/97/87/62/847978762.db2.gz FDSIOWSWKUZUEU-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM O=C(NC[C@H]1CCCOC1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436559535 861851653 /nfs/dbraw/zinc/85/16/53/861851653.db2.gz XFRSVLDUCMCYJI-GFCCVEGCSA-N -1 1 423.296 4.108 20 0 HIADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436565795 861854080 /nfs/dbraw/zinc/85/40/80/861854080.db2.gz WHZAJLQTZXZGKH-QWHCGFSZSA-N -1 1 417.303 4.278 20 0 HIADMM Cc1ccc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(O)c1C ZINC000436565455 861854378 /nfs/dbraw/zinc/85/43/78/861854378.db2.gz MQZNNGVJZBEDBM-UHFFFAOYSA-N -1 1 424.522 4.082 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 ZINC000032369790 848014241 /nfs/dbraw/zinc/01/42/41/848014241.db2.gz OLGPOIVKAOZFAS-UHFFFAOYSA-N -1 1 409.515 4.149 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2CCSC2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436574526 861856553 /nfs/dbraw/zinc/85/65/53/861856553.db2.gz MIORNKCWOCWARA-LBPRGKRZSA-N -1 1 411.310 4.187 20 0 HIADMM O=C(Nc1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436577679 861857506 /nfs/dbraw/zinc/85/75/06/861857506.db2.gz OXYGXAMXWSOMNS-KBPBESRZSA-N -1 1 400.425 4.185 20 0 HIADMM COc1cccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436583179 861859397 /nfs/dbraw/zinc/85/93/97/861859397.db2.gz NJTWMHOAFPVIGC-OPAMFIHVSA-N -1 1 418.493 4.036 20 0 HIADMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)ccc1Cl ZINC000032586472 848050085 /nfs/dbraw/zinc/05/00/85/848050085.db2.gz OUEVSEWKXPFJAA-UHFFFAOYSA-N -1 1 413.185 4.304 20 0 HIADMM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)cnc21 ZINC000032595259 848051461 /nfs/dbraw/zinc/05/14/61/848051461.db2.gz UNXQBYFHHFRLIX-UHFFFAOYSA-N -1 1 416.837 4.068 20 0 HIADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1cccc(Br)c1 ZINC000032600075 848052402 /nfs/dbraw/zinc/05/24/02/848052402.db2.gz PSJCVKUMGXUCNB-UHFFFAOYSA-N -1 1 410.211 4.191 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1Cl ZINC000032627675 848055358 /nfs/dbraw/zinc/05/53/58/848055358.db2.gz BUXOPIJQWNMRLV-UHFFFAOYSA-N -1 1 401.315 4.276 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1Cl ZINC000032628053 848055440 /nfs/dbraw/zinc/05/54/40/848055440.db2.gz DPDYWXUVMXMMND-UHFFFAOYSA-N -1 1 424.950 4.248 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)c1 ZINC000032631543 848056372 /nfs/dbraw/zinc/05/63/72/848056372.db2.gz NEFTTXXZGDZMOY-OAQYLSRUSA-N -1 1 420.490 4.238 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]4CCC[C@@H]43)c([O-])c2)c1 ZINC000436585887 861860516 /nfs/dbraw/zinc/86/05/16/861860516.db2.gz ABIBRMQRHYYNCD-BTYIYWSLSA-N -1 1 424.497 4.066 20 0 HIADMM CCCCN(C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000032743970 848070771 /nfs/dbraw/zinc/07/07/71/848070771.db2.gz OMBXFVCEXLZTCH-UHFFFAOYSA-N -1 1 405.292 4.279 20 0 HIADMM COC(=O)c1cccc(NC2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)c1 ZINC000436599208 861864416 /nfs/dbraw/zinc/86/44/16/861864416.db2.gz DDMOQBIUARHFIN-UHFFFAOYSA-N -1 1 404.466 4.049 20 0 HIADMM Cc1ccccc1CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436601305 861864962 /nfs/dbraw/zinc/86/49/62/861864962.db2.gz JRJSJOZSEWWDJB-JOCHJYFZSA-N -1 1 402.494 4.117 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2cc(F)ccc2O)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436603112 861865532 /nfs/dbraw/zinc/86/55/32/861865532.db2.gz LHZWSIKXDMYVJQ-UHFFFAOYSA-N -1 1 402.328 4.020 20 0 HIADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436603370 861866120 /nfs/dbraw/zinc/86/61/20/861866120.db2.gz AWQVWDFLSOSZRX-DHIUTWEWSA-N -1 1 414.505 4.262 20 0 HIADMM COc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1[N-]S(C)(=O)=O ZINC000033069847 848104890 /nfs/dbraw/zinc/10/48/90/848104890.db2.gz HRGMQLRFKRBISZ-UHFFFAOYSA-N -1 1 420.487 4.187 20 0 HIADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000033097975 848108730 /nfs/dbraw/zinc/10/87/30/848108730.db2.gz VFOVZJFKSZDYJF-WMLDXEAASA-N -1 1 422.497 4.416 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000033181634 848121098 /nfs/dbraw/zinc/12/10/98/848121098.db2.gz FEMWYCPXEAYNFQ-RDTXWAMCSA-N -1 1 404.507 4.243 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436610746 861869453 /nfs/dbraw/zinc/86/94/53/861869453.db2.gz XQMVHTZKCYZZSE-HNNXBMFYSA-N -1 1 410.367 4.230 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccc(O)c3ccccc23)no1 ZINC000436612786 861869923 /nfs/dbraw/zinc/86/99/23/861869923.db2.gz NZZQVUXSANKWGM-UHFFFAOYSA-N -1 1 411.421 4.052 20 0 HIADMM Cc1ccccc1C[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436618459 861871486 /nfs/dbraw/zinc/87/14/86/861871486.db2.gz NYPPQPJPENBBSW-JPYJTQIMSA-N -1 1 416.521 4.206 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)o1 ZINC000041815038 848253647 /nfs/dbraw/zinc/25/36/47/848253647.db2.gz ZRCHQAWGKDIYMA-GOSISDBHSA-N -1 1 416.543 4.039 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1Br)c1sccc1Br ZINC000042350553 848320877 /nfs/dbraw/zinc/32/08/77/848320877.db2.gz CWEGMEBJRGLKRF-UHFFFAOYSA-N -1 1 415.103 4.213 20 0 HIADMM O=C(NCc1ccc(C2CC2)cc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436676410 861891743 /nfs/dbraw/zinc/89/17/43/861891743.db2.gz ZYBXKNJDGREMRQ-HSZRJFAPSA-N -1 1 414.505 4.344 20 0 HIADMM O=C(Nc1ccc(-c2nc(-c3ncc[nH]3)no2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436680920 861892483 /nfs/dbraw/zinc/89/24/83/861892483.db2.gz LVIYLZYKRZTNFE-UHFFFAOYSA-N -1 1 416.224 4.391 20 0 HIADMM Cc1cc(NC(=O)C(=O)c2ccc([O-])cc2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000436689883 861894360 /nfs/dbraw/zinc/89/43/60/861894360.db2.gz SKLVUNOGQTWZMC-UHFFFAOYSA-N -1 1 423.778 4.380 20 0 HIADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000042776602 848353794 /nfs/dbraw/zinc/35/37/94/848353794.db2.gz YIJSRXDADXFLDE-UHFFFAOYSA-N -1 1 412.492 4.015 20 0 HIADMM O=C(Nc1ccccc1OC(F)(F)F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043879269 848485650 /nfs/dbraw/zinc/48/56/50/848485650.db2.gz VFUJDYWKZIXLDU-UHFFFAOYSA-N -1 1 408.376 4.418 20 0 HIADMM O=S(=O)([N-]c1cccc(NC(=S)NCc2cccs2)c1)c1ccccc1 ZINC000044081140 848511833 /nfs/dbraw/zinc/51/18/33/848511833.db2.gz IXTLHSQBIIFGDW-UHFFFAOYSA-N -1 1 403.554 4.036 20 0 HIADMM CO[C@@H](C)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436723768 861912229 /nfs/dbraw/zinc/91/22/29/861912229.db2.gz MFIDILAITKKTOY-NSHDSACASA-N -1 1 411.285 4.106 20 0 HIADMM CCOC(=O)c1cc(COC)cc(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000436729515 861914807 /nfs/dbraw/zinc/91/48/07/861914807.db2.gz RSSFHDWZIXEMPS-UHFFFAOYSA-N -1 1 407.850 4.020 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CC1 ZINC000044545181 848568278 /nfs/dbraw/zinc/56/82/78/848568278.db2.gz DQWWHKXMDLEQRK-UHFFFAOYSA-N -1 1 412.433 4.131 20 0 HIADMM COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436737219 861922223 /nfs/dbraw/zinc/92/22/23/861922223.db2.gz IVQFRGAZVRBTPG-UHFFFAOYSA-N -1 1 419.783 4.351 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CCc1ccc(Cl)s1 ZINC000044977633 848617867 /nfs/dbraw/zinc/61/78/67/848617867.db2.gz NKVXAXOMUGZVGY-UHFFFAOYSA-N -1 1 405.932 4.227 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000045059967 848629212 /nfs/dbraw/zinc/62/92/12/848629212.db2.gz LEKGHMHRYHFDAB-UHFFFAOYSA-N -1 1 416.477 4.101 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000045097323 848632857 /nfs/dbraw/zinc/63/28/57/848632857.db2.gz JTUUZWLKTCKNQH-UHFFFAOYSA-N -1 1 404.499 4.335 20 0 HIADMM CCOc1cc(-c2noc(C[C@H]3C[C@@H](C(C)=O)C3(C)C)n2)cc(Br)c1[O-] ZINC000436740908 861924513 /nfs/dbraw/zinc/92/45/13/861924513.db2.gz AVRDAVYOCCHLCS-OLZOCXBDSA-N -1 1 423.307 4.397 20 0 HIADMM C[C@H]1COCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000436742529 861925407 /nfs/dbraw/zinc/92/54/07/861925407.db2.gz VUHKTDILKMLDDN-GFCCVEGCSA-N -1 1 423.296 4.060 20 0 HIADMM COc1ccc([C@@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C(C)C)cc1 ZINC000045148819 848638841 /nfs/dbraw/zinc/63/88/41/848638841.db2.gz YFZFEEOZUVRMIS-QFIPXVFZSA-N -1 1 410.514 4.402 20 0 HIADMM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436743129 861927455 /nfs/dbraw/zinc/92/74/55/861927455.db2.gz XTYZRNCLZMOIER-UHFFFAOYSA-N -1 1 410.301 4.232 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1ccc(O)cc1[O-] ZINC000436745001 861927653 /nfs/dbraw/zinc/92/76/53/861927653.db2.gz RTSMMHIWLLATJX-NRFANRHFSA-N -1 1 402.450 4.327 20 0 HIADMM CC(C)(C)OC1CC(CC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)C1 ZINC000436744520 861929279 /nfs/dbraw/zinc/92/92/79/861929279.db2.gz MZFIAIFCRGLOPT-UHFFFAOYSA-N -1 1 402.535 4.377 20 0 HIADMM COc1cc(NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cc(OC)c1 ZINC000436751966 861935281 /nfs/dbraw/zinc/93/52/81/861935281.db2.gz PEWMZLYOZCNALC-UHFFFAOYSA-N -1 1 424.419 4.145 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(-n3cccn3)c2)cc1 ZINC000045836155 848737524 /nfs/dbraw/zinc/73/75/24/848737524.db2.gz YZCCQWOLNIYGQG-UHFFFAOYSA-N -1 1 404.499 4.131 20 0 HIADMM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000436754433 861937658 /nfs/dbraw/zinc/93/76/58/861937658.db2.gz HHQOHLQIKRXTLH-QHCPKHFHSA-N -1 1 407.441 4.336 20 0 HIADMM CCCN(CC)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436756395 861940939 /nfs/dbraw/zinc/94/09/39/861940939.db2.gz CZHZQUQRSKMJKL-UHFFFAOYSA-N -1 1 405.292 4.279 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000436762746 861951688 /nfs/dbraw/zinc/95/16/88/861951688.db2.gz GQHQAXRZHUBQEA-MRXNPFEDSA-N -1 1 417.330 4.226 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000436764057 861953952 /nfs/dbraw/zinc/95/39/52/861953952.db2.gz NXDXHORGPIQEAA-INIZCTEOSA-N -1 1 403.759 4.417 20 0 HIADMM N#C[C@H](C(=O)Cc1c(F)cccc1Cl)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707036 848915363 /nfs/dbraw/zinc/91/53/63/848915363.db2.gz FBEAYWUZVDHXJR-GFCCVEGCSA-N -1 1 415.877 4.075 20 0 HIADMM CCC(CC)N(CC)C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436766626 861957589 /nfs/dbraw/zinc/95/75/89/861957589.db2.gz DTQDCLPIBBAVIS-UHFFFAOYSA-N -1 1 414.502 4.312 20 0 HIADMM CCOc1cc(-c2noc(-c3cn4ccc(C)cc4n3)n2)cc(Br)c1[O-] ZINC000436768228 861960648 /nfs/dbraw/zinc/96/06/48/861960648.db2.gz HYVGSGVNLHRHEF-UHFFFAOYSA-N -1 1 415.247 4.227 20 0 HIADMM O=C(Cc1ccc2c(c1)CCC2)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119740 848987103 /nfs/dbraw/zinc/98/71/03/848987103.db2.gz VHCZCQIHNSCTRJ-UHFFFAOYSA-N -1 1 406.507 4.157 20 0 HIADMM CCCc1ccc([C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C(C)C)cc1 ZINC000047328238 849027120 /nfs/dbraw/zinc/02/71/20/849027120.db2.gz DKULCNFBCOKERV-QHCPKHFHSA-N -1 1 418.541 4.149 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 ZINC000047432481 849045328 /nfs/dbraw/zinc/04/53/28/849045328.db2.gz CXXJYTYEYWWOLH-UHFFFAOYSA-N -1 1 409.873 4.171 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1C ZINC000047585454 849079024 /nfs/dbraw/zinc/07/90/24/849079024.db2.gz IRBYGCANOUVSDX-UHFFFAOYSA-N -1 1 404.488 4.086 20 0 HIADMM CCc1sc(NC(=O)c2cc(NC(C)=O)ccc2[O-])nc1-c1ccc(OC)cc1 ZINC000436786537 861979772 /nfs/dbraw/zinc/97/97/72/861979772.db2.gz JMZVTOAKMJLCDY-UHFFFAOYSA-N -1 1 411.483 4.297 20 0 HIADMM O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436814113 861998919 /nfs/dbraw/zinc/99/89/19/861998919.db2.gz RJWAOCFNVZUZKX-NRFANRHFSA-N -1 1 416.521 4.289 20 0 HIADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436839098 862017287 /nfs/dbraw/zinc/01/72/87/862017287.db2.gz OIRMGOUIUVBFQH-CQSZACIVSA-N -1 1 400.425 4.351 20 0 HIADMM CS[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])C(C)(C)C ZINC000436844670 862021006 /nfs/dbraw/zinc/02/10/06/862021006.db2.gz OWOXPMZLSGPLPH-OALUTQOASA-N -1 1 414.571 4.044 20 0 HIADMM CC(C)n1c(CCNC(=O)c2ccc(Br)cc2[O-])nc2ccccc21 ZINC000436841398 862018794 /nfs/dbraw/zinc/01/87/94/862018794.db2.gz ALGLMCZSWIJKBA-UHFFFAOYSA-N -1 1 402.292 4.058 20 0 HIADMM O=C(Nc1cccc(OCCF)c1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436841002 862018826 /nfs/dbraw/zinc/01/88/26/862018826.db2.gz QXGJGQYPLGWZFK-OAQYLSRUSA-N -1 1 422.456 4.137 20 0 HIADMM O=C(CCc1ccccc1Br)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000051286310 849453935 /nfs/dbraw/zinc/45/39/35/849453935.db2.gz LMMSLUJRFKNHFO-UHFFFAOYSA-N -1 1 416.315 4.209 20 0 HIADMM COc1ccc([C@@H]2CCCN2C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000051862753 849522880 /nfs/dbraw/zinc/52/28/80/849522880.db2.gz XBCZRTIDWVUIBE-IBGZPJMESA-N -1 1 408.527 4.288 20 0 HIADMM CCOc1cc(-c2noc(C3(CCOC)CCCC3)n2)cc(Br)c1[O-] ZINC000436852046 862029379 /nfs/dbraw/zinc/02/93/79/862029379.db2.gz NKLKYSHUWIPDQF-UHFFFAOYSA-N -1 1 411.296 4.452 20 0 HIADMM CC(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000052025330 849542377 /nfs/dbraw/zinc/54/23/77/849542377.db2.gz LZQBAIAIFHCFCD-UHFFFAOYSA-N -1 1 409.573 4.108 20 0 HIADMM CCC[C@@H](CCCS(C)(=O)=O)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000436869448 862046349 /nfs/dbraw/zinc/04/63/49/862046349.db2.gz DGVHMCCJDSUGHU-LBPRGKRZSA-N -1 1 416.927 4.203 20 0 HIADMM COc1ccc(Cl)cc1CNC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000053576161 849734168 /nfs/dbraw/zinc/73/41/68/849734168.db2.gz NFKCBRWWEAUHNU-UHFFFAOYSA-N -1 1 416.934 4.285 20 0 HIADMM Cc1nc2ccc(Br)cn2c1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436875533 862052878 /nfs/dbraw/zinc/05/28/78/862052878.db2.gz YAJRSIWKDRBHAV-UHFFFAOYSA-N -1 1 405.639 4.481 20 0 HIADMM COc1ccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[n-]2)cc1OC ZINC000053854715 849769955 /nfs/dbraw/zinc/76/99/55/849769955.db2.gz QBEOCDXMLUURPZ-UHFFFAOYSA-N -1 1 408.435 4.065 20 0 HIADMM O=C(C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccc([O-])cc1 ZINC000436882083 862059078 /nfs/dbraw/zinc/05/90/78/862059078.db2.gz PWCGHYQGPROZKH-UHFFFAOYSA-N -1 1 400.887 4.244 20 0 HIADMM Cc1ccc(CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C2CC2)o1 ZINC000053989724 849788792 /nfs/dbraw/zinc/78/87/92/849788792.db2.gz RUFFBEGRHPBAMO-UHFFFAOYSA-N -1 1 410.495 4.194 20 0 HIADMM COc1cccc(CCc2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1F ZINC000436878588 862057306 /nfs/dbraw/zinc/05/73/06/862057306.db2.gz KIDRGBSPZWXQGH-UHFFFAOYSA-N -1 1 423.238 4.146 20 0 HIADMM CCOc1c(F)cccc1-c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436882021 862058550 /nfs/dbraw/zinc/05/85/50/862058550.db2.gz ZUFXIFCHYXFNMS-UHFFFAOYSA-N -1 1 409.211 4.418 20 0 HIADMM Cc1ncccc1-c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436884777 862061831 /nfs/dbraw/zinc/06/18/31/862061831.db2.gz HNGPJNAOMYNWPW-UHFFFAOYSA-N -1 1 408.364 4.343 20 0 HIADMM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000054261292 849835213 /nfs/dbraw/zinc/83/52/13/849835213.db2.gz APHFKVDHEQNNMQ-OAHLLOKOSA-N -1 1 400.525 4.348 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000054402427 849860125 /nfs/dbraw/zinc/86/01/25/849860125.db2.gz DYCVDRWUZBTGLV-LBPRGKRZSA-N -1 1 414.918 4.477 20 0 HIADMM COc1cc(-c2nc([C@@H](NC(=O)c3ccccc3)C(C)C)no2)cc(Cl)c1[O-] ZINC000436887922 862066595 /nfs/dbraw/zinc/06/65/95/862066595.db2.gz RPTNUIDHPRVMRS-INIZCTEOSA-N -1 1 401.850 4.231 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 ZINC000436891636 862068464 /nfs/dbraw/zinc/06/84/64/862068464.db2.gz GHUJGQHXIFKFHJ-UHFFFAOYSA-N -1 1 403.280 4.349 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc4c[nH]nc43)n2)cc(Br)c1[O-] ZINC000436893668 862069737 /nfs/dbraw/zinc/06/97/37/862069737.db2.gz ORMBTMPMMJKRLT-UHFFFAOYSA-N -1 1 401.220 4.147 20 0 HIADMM O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccc([O-])c(O)c1 ZINC000054774294 849918899 /nfs/dbraw/zinc/91/88/99/849918899.db2.gz RWUCSKQWCJIDEM-QGZVFWFLSA-N -1 1 410.495 4.115 20 0 HIADMM C[C@H]1CCCN(c2nc([O-])c(CC(=O)Nc3ccc(SC(F)F)cc3)s2)C1 ZINC000055117819 849973562 /nfs/dbraw/zinc/97/35/62/849973562.db2.gz IMKRVCGVALWCPS-FZMZJTMJSA-N -1 1 413.515 4.060 20 0 HIADMM Cc1cccc([C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436904607 862079800 /nfs/dbraw/zinc/07/98/00/862079800.db2.gz YXVUZLJYODCFTJ-JPYJTQIMSA-N -1 1 416.521 4.378 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NNc3ccc(F)cc3)cc2)c1C ZINC000055544474 850050125 /nfs/dbraw/zinc/05/01/25/850050125.db2.gz TTWCGPIFTIWPFH-UHFFFAOYSA-N -1 1 413.474 4.000 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccco2)cc1 ZINC000055580755 850062128 /nfs/dbraw/zinc/06/21/28/850062128.db2.gz SPYGENMPYKKJOG-UHFFFAOYSA-N -1 1 419.890 4.364 20 0 HIADMM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000055583359 850063415 /nfs/dbraw/zinc/06/34/15/850063415.db2.gz DKHNHMAXKMGMAF-UHFFFAOYSA-N -1 1 414.097 4.200 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1NC(=O)c1cccc(F)c1 ZINC000055594824 850071548 /nfs/dbraw/zinc/07/15/48/850071548.db2.gz ZEDVWRGHSPUJSL-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000055595515 850072316 /nfs/dbraw/zinc/07/23/16/850072316.db2.gz QDLQFIULICSGJO-UHFFFAOYSA-N -1 1 414.405 4.043 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)cc1F ZINC000055615550 850077865 /nfs/dbraw/zinc/07/78/65/850077865.db2.gz QQISDOOXHDGBBU-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)ccc1C ZINC000055615232 850077989 /nfs/dbraw/zinc/07/79/89/850077989.db2.gz RKXPFOPYKHNFAZ-UHFFFAOYSA-N -1 1 404.822 4.009 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)ccc1OC(C)C ZINC000055621324 850080306 /nfs/dbraw/zinc/08/03/06/850080306.db2.gz OEKLVPJFETWQGP-UHFFFAOYSA-N -1 1 417.531 4.211 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)c1 ZINC000055639263 850086077 /nfs/dbraw/zinc/08/60/77/850086077.db2.gz VNUOIEKNZUWQMQ-UHFFFAOYSA-N -1 1 414.527 4.061 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000055638753 850086217 /nfs/dbraw/zinc/08/62/17/850086217.db2.gz BYWCSCCPYRSGSI-UHFFFAOYSA-N -1 1 402.394 4.125 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C)c1 ZINC000055642721 850088434 /nfs/dbraw/zinc/08/84/34/850088434.db2.gz HBQBXRPHUIQMEQ-CALCHBBNSA-N -1 1 400.544 4.222 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C)cc1 ZINC000055642610 850088791 /nfs/dbraw/zinc/08/87/91/850088791.db2.gz ZITKJRZBRPGFND-CALCHBBNSA-N -1 1 400.544 4.222 20 0 HIADMM C/C=C\C[C@@H](CO)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436915562 862095431 /nfs/dbraw/zinc/09/54/31/862095431.db2.gz OVCOXCJUBZTFRH-SFAKSCPVSA-N -1 1 423.296 4.008 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCCc3occc3C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436925366 862106182 /nfs/dbraw/zinc/10/61/82/862106182.db2.gz IUEBLTNISLLDIK-UHFFFAOYSA-N -1 1 412.392 4.104 20 0 HIADMM Cc1csc(-c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)n1 ZINC000436928611 862108260 /nfs/dbraw/zinc/10/82/60/862108260.db2.gz RUMIHDGZXUZECO-UHFFFAOYSA-N -1 1 414.393 4.405 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c(C)n1 ZINC000056143016 850253396 /nfs/dbraw/zinc/25/33/96/850253396.db2.gz PTSQSBBQHXWTAI-UHFFFAOYSA-N -1 1 417.437 4.030 20 0 HIADMM C[C@@H](c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1)C(C)(C)C ZINC000436931830 862110589 /nfs/dbraw/zinc/11/05/89/862110589.db2.gz MPTPFWKJGOMOJD-NSHDSACASA-N -1 1 407.517 4.454 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(CC3CC3)C3CCC3)c([O-])c2)c1 ZINC000436931266 862110616 /nfs/dbraw/zinc/11/06/16/862110616.db2.gz KCVVJBWKFNVOIT-UHFFFAOYSA-N -1 1 424.497 4.066 20 0 HIADMM COc1cc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)ccc1OCc1ccccc1 ZINC000436936894 862114931 /nfs/dbraw/zinc/11/49/31/862114931.db2.gz ZVVILHYNOVTETB-MRXNPFEDSA-N -1 1 405.450 4.040 20 0 HIADMM CCOc1cc(-c2noc(CC3(C(F)(F)F)CC3)n2)cc(Br)c1[O-] ZINC000436944268 862123147 /nfs/dbraw/zinc/12/31/47/862123147.db2.gz BGYCMOWFVXEGJU-UHFFFAOYSA-N -1 1 407.186 4.488 20 0 HIADMM O=C1C[C@H](c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)CN1CC1CCC1 ZINC000436950530 862127812 /nfs/dbraw/zinc/12/78/12/862127812.db2.gz MZRCYLGGEDLFBO-INIZCTEOSA-N -1 1 405.454 4.351 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc([C@H](C)C4CC4)no3)c([O-])c2)c1 ZINC000436951583 862131280 /nfs/dbraw/zinc/13/12/80/862131280.db2.gz GJIAZJFOVUEATM-GFCCVEGCSA-N -1 1 409.442 4.225 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000436953210 862132791 /nfs/dbraw/zinc/13/27/91/862132791.db2.gz NAVSLFLSYHAQEJ-MRXNPFEDSA-N -1 1 403.759 4.417 20 0 HIADMM CN1CCN(c2cccc(-c3noc(-c4cc(Cl)c5ccccc5c4[O-])n3)n2)CC1 ZINC000436956730 862136725 /nfs/dbraw/zinc/13/67/25/862136725.db2.gz OUEDDKNBVNPNIO-UHFFFAOYSA-N -1 1 421.888 4.063 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000057388161 850626165 /nfs/dbraw/zinc/62/61/65/850626165.db2.gz UGFAXTZFKXYZJY-FOIQADDNSA-N -1 1 404.507 4.243 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)cc1C ZINC000057467593 850645480 /nfs/dbraw/zinc/64/54/80/850645480.db2.gz KVWVQKCNLHDSQJ-UHFFFAOYSA-N -1 1 407.495 4.399 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000057542509 850663187 /nfs/dbraw/zinc/66/31/87/850663187.db2.gz MJGJSNONQGFJSN-UHFFFAOYSA-N -1 1 421.497 4.176 20 0 HIADMM Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000057626608 850683397 /nfs/dbraw/zinc/68/33/97/850683397.db2.gz WELFDWYBEGJFMA-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)C(=O)c1ccc([O-])cc1 ZINC000436980932 862159360 /nfs/dbraw/zinc/15/93/60/862159360.db2.gz PSBZYIKCNRNTOJ-UHFFFAOYSA-N -1 1 408.159 4.462 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000057989667 850750718 /nfs/dbraw/zinc/75/07/18/850750718.db2.gz XBVZAFKVTNGLDN-UHFFFAOYSA-N -1 1 424.526 4.360 20 0 HIADMM COc1ccccc1C(=O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436987775 862164252 /nfs/dbraw/zinc/16/42/52/862164252.db2.gz JXSKUPFLDUNRNX-UHFFFAOYSA-N -1 1 404.447 4.499 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c([O-])c1 ZINC000436991669 862166560 /nfs/dbraw/zinc/16/65/60/862166560.db2.gz SDGKGLYPZROTAV-UHFFFAOYSA-N -1 1 416.477 4.175 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)cc3nc[nH]c32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058225456 850783622 /nfs/dbraw/zinc/78/36/22/850783622.db2.gz GMPVLZYCRAMSTB-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000058255043 850787764 /nfs/dbraw/zinc/78/77/64/850787764.db2.gz NJDYNASDAVUFBY-UHFFFAOYSA-N -1 1 406.507 4.466 20 0 HIADMM Cc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)s1 ZINC000058368075 850810772 /nfs/dbraw/zinc/81/07/72/850810772.db2.gz ILOLDUDOFRKCAM-UHFFFAOYSA-N -1 1 422.478 4.066 20 0 HIADMM O=C(NCc1ccoc1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000058478959 850835678 /nfs/dbraw/zinc/83/56/78/850835678.db2.gz LFXIBVCWUVECQF-UHFFFAOYSA-N -1 1 424.400 4.029 20 0 HIADMM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058488454 850837529 /nfs/dbraw/zinc/83/75/29/850837529.db2.gz RSRSKGTZXSAHAX-UHFFFAOYSA-N -1 1 424.689 4.463 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(F)c(F)c1F ZINC000058511779 850843071 /nfs/dbraw/zinc/84/30/71/850843071.db2.gz RISIJGAVSQJFKV-CYBMUJFWSA-N -1 1 407.360 4.061 20 0 HIADMM Cn1c(Cc2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)n[n-]c1=S ZINC000058679042 850887052 /nfs/dbraw/zinc/88/70/52/850887052.db2.gz NREYHGAWTMBXMT-UHFFFAOYSA-N -1 1 407.524 4.444 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cc(Br)cn2)c(C)c1 ZINC000058912029 850956361 /nfs/dbraw/zinc/95/63/61/850956361.db2.gz ZMDUODHCSJPFCZ-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000060166051 851048173 /nfs/dbraw/zinc/04/81/73/851048173.db2.gz HSSFSUBAAVGZFE-UHFFFAOYSA-N -1 1 410.829 4.393 20 0 HIADMM O=C(NCc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000060355640 851075900 /nfs/dbraw/zinc/07/59/00/851075900.db2.gz GVYYDKQARRAWMS-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM CCOCCSc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000060428023 851097132 /nfs/dbraw/zinc/09/71/32/851097132.db2.gz BOIOLEXNZLOVSI-UHFFFAOYSA-N -1 1 412.920 4.411 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)cc1 ZINC000060738732 851200355 /nfs/dbraw/zinc/20/03/55/851200355.db2.gz ISOPEXLCKUVTCB-UHFFFAOYSA-N -1 1 409.442 4.372 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000061428642 851374036 /nfs/dbraw/zinc/37/40/36/851374036.db2.gz WHLRHKADDSPLET-UHFFFAOYSA-N -1 1 423.542 4.083 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000062295937 851525861 /nfs/dbraw/zinc/52/58/61/851525861.db2.gz ACXLSJSMDFYSEB-UHFFFAOYSA-N -1 1 420.874 4.114 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1 ZINC000063111202 851617710 /nfs/dbraw/zinc/61/77/10/851617710.db2.gz OQCWELOYZPGXOU-UHFFFAOYSA-N -1 1 416.478 4.034 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1Cl ZINC000063178790 851628516 /nfs/dbraw/zinc/62/85/16/851628516.db2.gz LEKIBNAWESNFKQ-UHFFFAOYSA-N -1 1 424.950 4.412 20 0 HIADMM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)c(C)c1 ZINC000063180052 851628610 /nfs/dbraw/zinc/62/86/10/851628610.db2.gz LQDYVCAKYMGTQO-UHFFFAOYSA-N -1 1 418.559 4.457 20 0 HIADMM CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000063181399 851629637 /nfs/dbraw/zinc/62/96/37/851629637.db2.gz SAMYVOREZZEDBX-UHFFFAOYSA-N -1 1 407.879 4.217 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H](C)CC1 ZINC000063275313 851648780 /nfs/dbraw/zinc/64/87/80/851648780.db2.gz RBEINFGDGXMUTC-OAHLLOKOSA-N -1 1 404.507 4.197 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1 ZINC000063442483 851690770 /nfs/dbraw/zinc/69/07/70/851690770.db2.gz GCPAPCBOKGYSAN-UHFFFAOYSA-N -1 1 403.472 4.217 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)cc1 ZINC000063443239 851691080 /nfs/dbraw/zinc/69/10/80/851691080.db2.gz YZEMQYDUVNLCTA-UHFFFAOYSA-N -1 1 416.499 4.175 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000063482872 851700730 /nfs/dbraw/zinc/70/07/30/851700730.db2.gz GITAFEGKUNGIJO-UHFFFAOYSA-N -1 1 406.813 4.291 20 0 HIADMM O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2cc(Cl)ccc2[O-])N1 ZINC000063497715 851703496 /nfs/dbraw/zinc/70/34/96/851703496.db2.gz MJUTWHPADYTICN-HSZRJFAPSA-N -1 1 408.885 4.255 20 0 HIADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)N1c2ccccc2CCc2ccccc21 ZINC000063543451 851710541 /nfs/dbraw/zinc/71/05/41/851710541.db2.gz KBDCKUZJIAIBGC-UHFFFAOYSA-N -1 1 409.388 4.291 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000063665849 851736670 /nfs/dbraw/zinc/73/66/70/851736670.db2.gz QLMVIXSONADRLV-UHFFFAOYSA-N -1 1 415.559 4.327 20 0 HIADMM CC(C)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000063814754 851770601 /nfs/dbraw/zinc/77/06/01/851770601.db2.gz DIKDPWSQIVSIRR-IBGZPJMESA-N -1 1 408.470 4.026 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1 ZINC000063879317 851783705 /nfs/dbraw/zinc/78/37/05/851783705.db2.gz QUUUETIYCHZOCV-UHFFFAOYSA-N -1 1 402.497 4.070 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2csnn2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063912912 851792454 /nfs/dbraw/zinc/79/24/54/851792454.db2.gz RRILDRJKPCNDOL-UHFFFAOYSA-N -1 1 403.382 4.164 20 0 HIADMM CCOc1cccc2cc([C@@H](C)NC(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)oc21 ZINC000064317075 851869342 /nfs/dbraw/zinc/86/93/42/851869342.db2.gz UHIMJGMKIAOPDS-CQSZACIVSA-N -1 1 422.485 4.007 20 0 HIADMM Cc1c(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n[nH]c1C1CC1 ZINC000064347260 851876488 /nfs/dbraw/zinc/87/64/88/851876488.db2.gz INIJXNGVDISLKZ-UHFFFAOYSA-N -1 1 424.526 4.265 20 0 HIADMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)c1C ZINC000064381342 851883514 /nfs/dbraw/zinc/88/35/14/851883514.db2.gz DNTCVPNAWHRINF-HNNXBMFYSA-N -1 1 424.588 4.461 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(I)c2)cc1 ZINC000064474744 851906753 /nfs/dbraw/zinc/90/67/53/851906753.db2.gz CDEVGVRARUNNAH-UHFFFAOYSA-N -1 1 419.309 4.122 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)c3ccncc3)c2)cc1 ZINC000064477391 851908141 /nfs/dbraw/zinc/90/81/41/851908141.db2.gz VYUQRWNIOYBFJR-UHFFFAOYSA-N -1 1 413.524 4.165 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc4c(c3)COC4)ccc2C)c1 ZINC000064485272 851910229 /nfs/dbraw/zinc/91/02/29/851910229.db2.gz GPHHJVICGFMCDP-UHFFFAOYSA-N -1 1 422.506 4.387 20 0 HIADMM Cc1ccc(NC(=O)[C@@H](C)OCC2CC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000064851420 852005255 /nfs/dbraw/zinc/00/52/55/852005255.db2.gz WLLGCPVSRSZDQD-CQSZACIVSA-N -1 1 422.934 4.203 20 0 HIADMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937986 852025906 /nfs/dbraw/zinc/02/59/06/852025906.db2.gz MEVFKZPTLOWTLO-UHFFFAOYSA-N -1 1 407.435 4.125 20 0 HIADMM COCCOCc1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937968 852025938 /nfs/dbraw/zinc/02/59/38/852025938.db2.gz JRYKAWDKFFMJQL-UHFFFAOYSA-N -1 1 421.462 4.262 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C(C3CC3)C3CC3)ccc2C)cc1 ZINC000065143008 852077885 /nfs/dbraw/zinc/07/78/85/852077885.db2.gz KINVRPQQCXMICG-UHFFFAOYSA-N -1 1 412.555 4.365 20 0 HIADMM O=C(OCCc1cccs1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000065664283 852212492 /nfs/dbraw/zinc/21/24/92/852212492.db2.gz YJFDEOJZSMWFPI-UHFFFAOYSA-N -1 1 405.472 4.088 20 0 HIADMM Cc1occc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000065688530 852219800 /nfs/dbraw/zinc/21/98/00/852219800.db2.gz DTGPOGXJDCGJGS-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C1CCCCC1 ZINC000065912181 852312571 /nfs/dbraw/zinc/31/25/71/852312571.db2.gz UDMHRMGBCPPMFY-UHFFFAOYSA-N -1 1 410.539 4.204 20 0 HIADMM Cc1ccc(OC2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)cc1C ZINC000066047023 852364107 /nfs/dbraw/zinc/36/41/07/852364107.db2.gz FNFRPJNORPVPMY-UHFFFAOYSA-N -1 1 404.304 4.455 20 0 HIADMM CN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000068871056 852374995 /nfs/dbraw/zinc/37/49/95/852374995.db2.gz SFGDUOUVPCZEKO-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000072035788 852477701 /nfs/dbraw/zinc/47/77/01/852477701.db2.gz YRRLPKXNBVHYQN-GOSISDBHSA-N -1 1 408.483 4.072 20 0 HIADMM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000072077475 852498353 /nfs/dbraw/zinc/49/83/53/852498353.db2.gz ODFUPZNERFHKAO-QGZVFWFLSA-N -1 1 417.509 4.293 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2ccccc2Oc2ccc(C)cc2)c(=O)[n-]1 ZINC000078607279 852520248 /nfs/dbraw/zinc/52/02/48/852520248.db2.gz IFXDBUFUPBEPGW-UHFFFAOYSA-N -1 1 423.538 4.150 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)cc1F)c1cnc(Cl)c(Cl)c1 ZINC000083928849 852543400 /nfs/dbraw/zinc/54/34/00/852543400.db2.gz RMWIHWTXUGTJOV-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000097091296 852581997 /nfs/dbraw/zinc/58/19/97/852581997.db2.gz PYEJKFGXSWYRPP-UHFFFAOYSA-N -1 1 403.526 4.328 20 0 HIADMM CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000097548798 852627366 /nfs/dbraw/zinc/62/73/66/852627366.db2.gz BYPHDKMUNMPWOH-UHFFFAOYSA-N -1 1 404.435 4.280 20 0 HIADMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000097548758 852627411 /nfs/dbraw/zinc/62/74/11/852627411.db2.gz BNCRYADLUZEPDT-UHFFFAOYSA-N -1 1 404.435 4.280 20 0 HIADMM O=C(N1CCC(c2n[n-]c(=S)n2C2CC2)CC1)C1(c2cccc(F)c2)CCC1 ZINC000097551012 852629104 /nfs/dbraw/zinc/62/91/04/852629104.db2.gz FDERMUOJCSOEEK-UHFFFAOYSA-N -1 1 400.523 4.243 20 0 HIADMM CCn1c(C2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)n[n-]c1=S ZINC000097555288 852631225 /nfs/dbraw/zinc/63/12/25/852631225.db2.gz NWSFLKOLCCHAID-UHFFFAOYSA-N -1 1 402.417 4.138 20 0 HIADMM COc1ccccc1C(C)=CC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000097555043 852631278 /nfs/dbraw/zinc/63/12/78/852631278.db2.gz LOFOCPFSVOKCCC-FYWRMAATSA-N -1 1 400.548 4.340 20 0 HIADMM O=C(Nc1ccc2ccccc2n1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000104855116 852678872 /nfs/dbraw/zinc/67/88/72/852678872.db2.gz OVFFNFHGGBDEID-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)c(=O)[n-]1 ZINC000105464581 852707226 /nfs/dbraw/zinc/70/72/26/852707226.db2.gz JTZWHPWGICLIQJ-NRFANRHFSA-N -1 1 415.603 4.445 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CCc2ccccc21 ZINC000105673105 852721022 /nfs/dbraw/zinc/72/10/22/852721022.db2.gz VJPBSNHQACTNRF-JOCHJYFZSA-N -1 1 406.507 4.247 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1cccc(Cn2cccn2)c1 ZINC000106078251 852751827 /nfs/dbraw/zinc/75/18/27/852751827.db2.gz YLIJEFVZBKCIAL-UHFFFAOYSA-N -1 1 424.917 4.145 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c1 ZINC000107638315 852784143 /nfs/dbraw/zinc/78/41/43/852784143.db2.gz XNGPFNQXULLPDE-UHFFFAOYSA-N -1 1 421.526 4.212 20 0 HIADMM CCC(CC)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cccs1 ZINC000108392819 852846203 /nfs/dbraw/zinc/84/62/03/852846203.db2.gz BYUKJRHNCOYMMS-QGZVFWFLSA-N -1 1 412.577 4.325 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)CCCOc2ccccc2C)c1 ZINC000108580776 852861884 /nfs/dbraw/zinc/86/18/84/852861884.db2.gz NRJBRPOCDNPKLH-UHFFFAOYSA-N -1 1 410.543 4.152 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC3CCCC3)c2)c1 ZINC000109433452 852969343 /nfs/dbraw/zinc/96/93/43/852969343.db2.gz ZERWPGVQZBEZIJ-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CC(=O)Nc1ccc(Cl)cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000109472070 852973958 /nfs/dbraw/zinc/97/39/58/852973958.db2.gz CYWQJSRVBXCZBD-UHFFFAOYSA-N -1 1 415.906 4.167 20 0 HIADMM CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110013276 853046680 /nfs/dbraw/zinc/04/66/80/853046680.db2.gz PIKNBUZZCVRILX-NRFANRHFSA-N -1 1 422.912 4.462 20 0 HIADMM CC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000110561708 853118382 /nfs/dbraw/zinc/11/83/82/853118382.db2.gz PKCRFEQKEPJBJD-CYBMUJFWSA-N -1 1 414.449 4.377 20 0 HIADMM Cc1csc(CCCCNC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)n1 ZINC000110618704 853127275 /nfs/dbraw/zinc/12/72/75/853127275.db2.gz JSXSWBHKORMBJT-UHFFFAOYSA-N -1 1 415.588 4.210 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)cc1C ZINC000110688885 853138424 /nfs/dbraw/zinc/13/84/24/853138424.db2.gz APNGSOXIZGQMTA-UHFFFAOYSA-N -1 1 401.513 4.054 20 0 HIADMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000110901778 853165544 /nfs/dbraw/zinc/16/55/44/853165544.db2.gz NZQQBTCKGABJCW-UHFFFAOYSA-N -1 1 420.434 4.160 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2-n2cccc2)o1 ZINC000111216302 853226113 /nfs/dbraw/zinc/22/61/13/853226113.db2.gz FQWAMSPIEWPXHQ-UHFFFAOYSA-N -1 1 421.906 4.053 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C(C)C)[nH]n3)cc2)c1C ZINC000115875902 853269475 /nfs/dbraw/zinc/26/94/75/853269475.db2.gz OYAWQRBMMDJGAM-UHFFFAOYSA-N -1 1 412.515 4.203 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]3C(C)C)cc2)ccc1F ZINC000115906566 853270989 /nfs/dbraw/zinc/27/09/89/853270989.db2.gz RPZKRGVVSYJMNY-FQEVSTJZSA-N -1 1 404.507 4.196 20 0 HIADMM CCCC(=O)Nc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1C ZINC000138495826 853388510 /nfs/dbraw/zinc/38/85/10/853388510.db2.gz GCQODCQFSJKOQA-UHFFFAOYSA-N -1 1 415.544 4.355 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1Cl ZINC000139210502 853405092 /nfs/dbraw/zinc/40/50/92/853405092.db2.gz AXEHIIJGRAVODJ-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000143211538 853509257 /nfs/dbraw/zinc/50/92/57/853509257.db2.gz HRLHTELPKMFBJJ-RTBURBONSA-N -1 1 408.527 4.069 20 0 HIADMM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000144955075 853543570 /nfs/dbraw/zinc/54/35/70/853543570.db2.gz CSTCVTPWJWNGAJ-INIZCTEOSA-N -1 1 410.495 4.128 20 0 HIADMM O=C(/C=C\c1cccs1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000210193306 853813617 /nfs/dbraw/zinc/81/36/17/853813617.db2.gz XNLBRMTYWZSNBI-YFHOEESVSA-N -1 1 420.462 4.479 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000215952712 853840205 /nfs/dbraw/zinc/84/02/05/853840205.db2.gz FVEJQTPTROIEOW-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000215950264 853840360 /nfs/dbraw/zinc/84/03/60/853840360.db2.gz SWYYYIUKJMWHGW-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CCOC(=O)C=Cc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000216844534 853858826 /nfs/dbraw/zinc/85/88/26/853858826.db2.gz PAIXSBZNFRRVTG-XFXZXTDPSA-N -1 1 422.510 4.131 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(Br)cc1F)c1cnc(Cl)c(Cl)c1 ZINC000229172415 853891889 /nfs/dbraw/zinc/89/18/89/853891889.db2.gz SGJVDTDIICHZQS-UHFFFAOYSA-N -1 1 418.046 4.230 20 0 HIADMM COCCC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000230851259 853896041 /nfs/dbraw/zinc/89/60/41/853896041.db2.gz IQFCZXPZMHAXCX-UHFFFAOYSA-N -1 1 419.168 4.097 20 0 HIADMM Nc1cc2ccccc2cc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000238105073 854143804 /nfs/dbraw/zinc/14/38/04/854143804.db2.gz FJVHCHFLUORINA-UHFFFAOYSA-N -1 1 417.490 4.475 20 0 HIADMM C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H]1C ZINC000251727311 854200257 /nfs/dbraw/zinc/20/02/57/854200257.db2.gz ITQHQVUHJJYDJK-VWKPWSFCSA-N -1 1 418.534 4.110 20 0 HIADMM CCCCc1nnc([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1 ZINC000255950233 854228400 /nfs/dbraw/zinc/22/84/00/854228400.db2.gz MHPWWIWZHYFLFK-UHFFFAOYSA-N -1 1 404.499 4.381 20 0 HIADMM C[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000261379024 854239071 /nfs/dbraw/zinc/23/90/71/854239071.db2.gz BAKIHWZNGRDDOZ-GFCCVEGCSA-N -1 1 413.326 4.276 20 0 HIADMM C[C@@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc2ccccc2c1 ZINC000261384192 854241898 /nfs/dbraw/zinc/24/18/98/854241898.db2.gz AKWFGXTWWBCTNC-LLVKDONJSA-N -1 1 407.417 4.324 20 0 HIADMM Cc1ccc(-c2nnc(Sc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)o2)cc1 ZINC000301352689 854368283 /nfs/dbraw/zinc/36/82/83/854368283.db2.gz NFSGEDXFHFLELC-UHFFFAOYSA-N -1 1 402.439 4.031 20 0 HIADMM Cc1nc(-c2ccc(NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)nc2)[n-]c(=O)c1C ZINC000301358675 854370142 /nfs/dbraw/zinc/37/01/42/854370142.db2.gz LGYUMBXJXPEMNJ-OAHLLOKOSA-N -1 1 411.456 4.078 20 0 HIADMM Cc1nc(-c2ccc(NC[C@@H](O)c3cccc(C(F)(F)F)c3)nc2)[n-]c(=O)c1C ZINC000301360300 854370695 /nfs/dbraw/zinc/37/06/95/854370695.db2.gz AGIOKFUFDFSYAZ-MRXNPFEDSA-N -1 1 404.392 4.025 20 0 HIADMM Cc1cc(=O)oc2cc(Oc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)c(Cl)cc12 ZINC000301364214 854372193 /nfs/dbraw/zinc/37/21/93/854372193.db2.gz RQSQGWCYFRSLOB-UHFFFAOYSA-N -1 1 420.812 4.382 20 0 HIADMM Cc1nc(-c2ccc(N3CCc4c(Br)cccc4C3)nc2)[n-]c(=O)c1C ZINC000301401333 854383544 /nfs/dbraw/zinc/38/35/44/854383544.db2.gz IVRKHQYOJYDIDY-UHFFFAOYSA-N -1 1 411.303 4.186 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N[C@H]2CCOC3(CCCC3)C2)nc1 ZINC000301694318 854447323 /nfs/dbraw/zinc/44/73/23/854447323.db2.gz MBBCMLOAHBJXMH-HNNXBMFYSA-N -1 1 423.485 4.064 20 0 HIADMM CC(C)CN(CC(C)C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000301944483 854501064 /nfs/dbraw/zinc/50/10/64/854501064.db2.gz GITBEOMQSYTISQ-UHFFFAOYSA-N -1 1 406.523 4.381 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)nc2)[n-]c(=O)c1C ZINC000302024336 854517727 /nfs/dbraw/zinc/51/77/27/854517727.db2.gz HBNGVYSTRRPMHV-OAHLLOKOSA-N -1 1 413.884 4.344 20 0 HIADMM Cc1nc(-c2ccc(N3CCO[C@@H](c4ccc(F)cc4Cl)C3)nc2)[n-]c(=O)c1C ZINC000302429484 854570185 /nfs/dbraw/zinc/57/01/85/854570185.db2.gz PLTWSKIVWRXHAL-GOSISDBHSA-N -1 1 414.868 4.231 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000302764054 854625596 /nfs/dbraw/zinc/62/55/96/854625596.db2.gz HFOPXQKMYNJTLJ-IBGZPJMESA-N -1 1 421.551 4.360 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000302773967 854630724 /nfs/dbraw/zinc/63/07/24/854630724.db2.gz UQIFBKMBMSQJBY-NRFANRHFSA-N -1 1 415.522 4.217 20 0 HIADMM O=C([N-]OCc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000302957586 854695708 /nfs/dbraw/zinc/69/57/08/854695708.db2.gz BNMPSXIZHNSOBX-NOZRDPDXSA-N -1 1 414.505 4.415 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)c3cccnc3)cc2)cc1C ZINC000303079501 854751591 /nfs/dbraw/zinc/75/15/91/854751591.db2.gz TZLSPCLDKKUFRD-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N(CC(F)F)C1CC1 ZINC000303318055 854869637 /nfs/dbraw/zinc/86/96/37/854869637.db2.gz QQOXLZTXNZCNHP-UHFFFAOYSA-N -1 1 414.861 4.011 20 0 HIADMM CSC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000303379760 854900716 /nfs/dbraw/zinc/90/07/16/854900716.db2.gz VMTWXWNXOWUKBQ-CYBMUJFWSA-N -1 1 412.964 4.387 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCCc2nc(C3CCCCC3)cs2)c(=O)[n-]1 ZINC000303511749 855000476 /nfs/dbraw/zinc/00/04/76/855000476.db2.gz TUKONERZCXBSDM-UHFFFAOYSA-N -1 1 420.604 4.008 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1NC(=O)C(C)(C)C ZINC000303564957 855042993 /nfs/dbraw/zinc/04/29/93/855042993.db2.gz XVVKERQFPKVDTN-UHFFFAOYSA-N -1 1 415.490 4.468 20 0 HIADMM CS[C@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000303691220 855136640 /nfs/dbraw/zinc/13/66/40/855136640.db2.gz PRNHKBDRMQZXLO-MSOLQXFVSA-N -1 1 422.547 4.031 20 0 HIADMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000303730368 855156509 /nfs/dbraw/zinc/15/65/09/855156509.db2.gz URZCJCQPFLRZKY-SANMLTNESA-N -1 1 402.541 4.083 20 0 HIADMM CSCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000303749142 855170618 /nfs/dbraw/zinc/17/06/18/855170618.db2.gz HGHQJULKGSQWPI-QGZVFWFLSA-N -1 1 420.600 4.318 20 0 HIADMM CCc1nc(C)c([C@H](C)N(C)C(=O)Cn2c(-c3cccs3)n[n-]c2=S)s1 ZINC000303852905 855248940 /nfs/dbraw/zinc/24/89/40/855248940.db2.gz FXEKUDDJOCXUMF-NSHDSACASA-N -1 1 407.590 4.216 20 0 HIADMM C[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Cc1cccs1 ZINC000303945600 855309884 /nfs/dbraw/zinc/30/98/84/855309884.db2.gz UPAZNJOTPVYZKL-INIZCTEOSA-N -1 1 414.552 4.158 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000303959230 855321768 /nfs/dbraw/zinc/32/17/68/855321768.db2.gz WBIJUJRHHIEGDC-LJQANCHMSA-N -1 1 406.555 4.397 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)sc1Br ZINC000314317025 855375931 /nfs/dbraw/zinc/37/59/31/855375931.db2.gz BRTXDDMBVBFKCX-UHFFFAOYSA-N -1 1 411.686 4.181 20 0 HIADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000318686940 855383951 /nfs/dbraw/zinc/38/39/51/855383951.db2.gz GQHJTBBUJQZNLX-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)ccc1C ZINC000322940534 855393509 /nfs/dbraw/zinc/39/35/09/855393509.db2.gz PIWNSOKLNPAIEN-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000327226688 855415899 /nfs/dbraw/zinc/41/58/99/855415899.db2.gz AGTSRQUVVGOXHZ-HERUPUMHSA-N -1 1 405.709 4.303 20 0 HIADMM CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1Cl ZINC000327365475 855416446 /nfs/dbraw/zinc/41/64/46/855416446.db2.gz JOMODECSBZMYKZ-UHFFFAOYSA-N -1 1 404.271 4.281 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2SC(F)(F)F)cc1Cl ZINC000328111289 855421746 /nfs/dbraw/zinc/42/17/46/855421746.db2.gz YQFUCUGFJIFUJS-UHFFFAOYSA-N -1 1 411.810 4.451 20 0 HIADMM O=S(=O)([N-]c1ccnc(Br)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000328141359 855421797 /nfs/dbraw/zinc/42/17/97/855421797.db2.gz BRDUATCUPNLKPS-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1Cl ZINC000392720932 855465951 /nfs/dbraw/zinc/46/59/51/855465951.db2.gz UMHWXXCFCONLGC-UHFFFAOYSA-N -1 1 410.225 4.387 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1ccoc1C1CC1 ZINC000409648542 855582054 /nfs/dbraw/zinc/58/20/54/855582054.db2.gz KFTJUVOHNFRVMO-UHFFFAOYSA-N -1 1 410.495 4.230 20 0 HIADMM CCCc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n[nH]1 ZINC000409846720 855685325 /nfs/dbraw/zinc/68/53/25/855685325.db2.gz GTXBORKAZNZUDI-UHFFFAOYSA-N -1 1 412.515 4.032 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(Cl)cc1Br ZINC000410358429 855948899 /nfs/dbraw/zinc/94/88/99/855948899.db2.gz FWMNWSYXVDAXDI-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000410384351 855965005 /nfs/dbraw/zinc/96/50/05/855965005.db2.gz UKRVSMJIZZTSFR-UHFFFAOYSA-N -1 1 405.264 4.348 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(Br)cc1Cl)c1ccc(F)c(F)c1F ZINC000410401199 855975538 /nfs/dbraw/zinc/97/55/38/855975538.db2.gz LDGOQPJWFRESJF-UHFFFAOYSA-N -1 1 418.593 4.460 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)ccc1Br ZINC000410402991 855976990 /nfs/dbraw/zinc/97/69/90/855976990.db2.gz QWHAINGKINZPTB-UHFFFAOYSA-N -1 1 413.337 4.469 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)cc1Br ZINC000410404414 855977825 /nfs/dbraw/zinc/97/78/25/855977825.db2.gz GVVHJTRFTHBGDU-UHFFFAOYSA-N -1 1 413.337 4.469 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000410416030 855984733 /nfs/dbraw/zinc/98/47/33/855984733.db2.gz BNSGCIPUGYEMIU-UHFFFAOYSA-N -1 1 400.262 4.178 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000425983791 856030555 /nfs/dbraw/zinc/03/05/55/856030555.db2.gz WXIDHSAGZSEHQS-UHFFFAOYSA-N -1 1 402.516 4.153 20 0 HIADMM Cc1[nH]ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000426028304 856055508 /nfs/dbraw/zinc/05/55/08/856055508.db2.gz FSOJRXDHGPAIRR-UHFFFAOYSA-N -1 1 403.891 4.338 20 0 HIADMM Cc1nc(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cs1 ZINC000426045494 856070409 /nfs/dbraw/zinc/07/04/09/856070409.db2.gz AEZYXJOYAAYBLO-UHFFFAOYSA-N -1 1 415.540 4.214 20 0 HIADMM CC(C)c1nn(C)cc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000426210492 856178581 /nfs/dbraw/zinc/17/85/81/856178581.db2.gz LZOCQPCNBKAKPY-UHFFFAOYSA-N -1 1 423.498 4.061 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000426532751 856337297 /nfs/dbraw/zinc/33/72/97/856337297.db2.gz MGQGLFVURMGGCH-HNNXBMFYSA-N -1 1 414.918 4.004 20 0 HIADMM Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000426639745 856387843 /nfs/dbraw/zinc/38/78/43/856387843.db2.gz OQMGRJOJCFVSAC-UHFFFAOYSA-N -1 1 403.158 4.201 20 0 HIADMM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000426655866 856397488 /nfs/dbraw/zinc/39/74/88/856397488.db2.gz VEMACYAOLIFAJI-SFHVURJKSA-N -1 1 405.372 4.457 20 0 HIADMM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000426673117 856405898 /nfs/dbraw/zinc/40/58/98/856405898.db2.gz DRWIEEUDXRITMM-GOSISDBHSA-N -1 1 405.372 4.457 20 0 HIADMM O=C([O-])C[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1cnn(-c2ccccc2)c1 ZINC000426726586 856437171 /nfs/dbraw/zinc/43/71/71/856437171.db2.gz KQWCMAUDRHOTKC-NRFANRHFSA-N -1 1 421.888 4.017 20 0 HIADMM COc1cc(Br)ccc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426728570 856438151 /nfs/dbraw/zinc/43/81/51/856438151.db2.gz WAARSIFXTSGPEZ-OAHLLOKOSA-N -1 1 402.647 4.166 20 0 HIADMM O=C([O-])C[C@H](NCc1cc(Br)cs1)c1cnn(-c2ccccc2)c1 ZINC000426729737 856439369 /nfs/dbraw/zinc/43/93/69/856439369.db2.gz GMHBDQUHISAXAT-INIZCTEOSA-N -1 1 406.305 4.002 20 0 HIADMM COc1cc(OC)c(OC)cc1CN[C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000426750185 856453844 /nfs/dbraw/zinc/45/38/44/856453844.db2.gz LRNFVGIIHVRCDH-HNNXBMFYSA-N -1 1 414.285 4.325 20 0 HIADMM O=C([O-])C[C@H](NCc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccccc2)c1 ZINC000426754752 856457799 /nfs/dbraw/zinc/45/77/99/856457799.db2.gz STYWSUFFOTVXAJ-SFHVURJKSA-N -1 1 405.376 4.077 20 0 HIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(C(F)(F)F)ccc2F)cc1OC ZINC000426772844 856470436 /nfs/dbraw/zinc/47/04/36/856470436.db2.gz GUMOMNYPHSFLIF-OAHLLOKOSA-N -1 1 401.356 4.167 20 0 HIADMM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1Br ZINC000426811889 856492665 /nfs/dbraw/zinc/49/26/65/856492665.db2.gz VWYQWBZVAHUXKD-HNNXBMFYSA-N -1 1 400.219 4.042 20 0 HIADMM COc1ccccc1[C@H](NCc1ccc(OCc2ccccc2)c(OC)c1)C(=O)[O-] ZINC000426817542 856495414 /nfs/dbraw/zinc/49/54/14/856495414.db2.gz PGBCPHPGPRIAIV-QHCPKHFHSA-N -1 1 407.466 4.198 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(-c3cccs3)s2)c1OC ZINC000426819366 856496250 /nfs/dbraw/zinc/49/62/50/856496250.db2.gz HYZSXMBFQPQUHT-CQSZACIVSA-N -1 1 404.513 4.194 20 0 HIADMM COc1ccc([C@@H](NCc2ccc(Br)cc2Cl)C(=O)[O-])cc1F ZINC000426838102 856507453 /nfs/dbraw/zinc/50/74/53/856507453.db2.gz ZCZPHMZHDKHLGG-OAHLLOKOSA-N -1 1 402.647 4.166 20 0 HIADMM O=S(=O)([N-]c1ccccc1Br)c1cccc(OC(F)(F)F)c1F ZINC000427106877 856641280 /nfs/dbraw/zinc/64/12/80/856641280.db2.gz HCZDSSKNMFIBFV-UHFFFAOYSA-N -1 1 414.174 4.288 20 0 HIADMM Cc1cnc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)c([O-])c1 ZINC000427122897 856651866 /nfs/dbraw/zinc/65/18/66/856651866.db2.gz UGCWEVAYCHODBF-OAHLLOKOSA-N -1 1 408.285 4.036 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000427134207 856659848 /nfs/dbraw/zinc/65/98/48/856659848.db2.gz WZPGTOKRRWJRDB-ROUUACIJSA-N -1 1 416.518 4.197 20 0 HIADMM CSC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000427182447 856696957 /nfs/dbraw/zinc/69/69/57/856696957.db2.gz OWJPEHLSEXUYSG-GOSISDBHSA-N -1 1 418.584 4.072 20 0 HIADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000427192959 856703466 /nfs/dbraw/zinc/70/34/66/856703466.db2.gz LRFSXGMIJOJQBU-PMACEKPBSA-N -1 1 418.584 4.282 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC(F)F)C(C)C)c2)cc1F ZINC000427204216 856711762 /nfs/dbraw/zinc/71/17/62/856711762.db2.gz KBQXFYRQOMRJGW-UHFFFAOYSA-N -1 1 414.449 4.051 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000427209265 856714010 /nfs/dbraw/zinc/71/40/10/856714010.db2.gz MMHVELXKRJYXGW-NRFANRHFSA-N -1 1 416.525 4.109 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(CC(F)F)C(C)C ZINC000427224418 856722199 /nfs/dbraw/zinc/72/21/99/856722199.db2.gz KXSLYRQZFIFGPL-UHFFFAOYSA-N -1 1 414.449 4.051 20 0 HIADMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc4nc(C)sc4c3)ccc21 ZINC000427344136 856783234 /nfs/dbraw/zinc/78/32/34/856783234.db2.gz FVJZHSYYPWJNJB-UHFFFAOYSA-N -1 1 415.540 4.095 20 0 HIADMM Cc1cc(C)nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)c1 ZINC000437475502 862836142 /nfs/dbraw/zinc/83/61/42/862836142.db2.gz BVSYJWDQBABAFO-UHFFFAOYSA-N -1 1 413.474 4.199 20 0 HIADMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)o1 ZINC000437478918 862838570 /nfs/dbraw/zinc/83/85/70/862838570.db2.gz CQNMNHAXXXCEER-IFXJQAMLSA-N -1 1 410.518 4.140 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccnc(N2CCc3ccccc3C2)c1 ZINC000427644527 856895692 /nfs/dbraw/zinc/89/56/92/856895692.db2.gz JFZOIKBBVDOEST-UHFFFAOYSA-N -1 1 411.552 4.167 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3N3C[C@@H](C)O[C@@H](C)C3)cc2s1 ZINC000427755074 856939677 /nfs/dbraw/zinc/93/96/77/856939677.db2.gz HMINVYNBWDZDHU-OKILXGFUSA-N -1 1 417.556 4.019 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)cc(Cl)c1[O-] ZINC000427782085 856951646 /nfs/dbraw/zinc/95/16/46/856951646.db2.gz UIQFKSJPBQCMFE-UHFFFAOYSA-N -1 1 404.894 4.485 20 0 HIADMM Cc1nc(C(C)C)oc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000428164655 857093280 /nfs/dbraw/zinc/09/32/80/857093280.db2.gz LFXLFIVSZFBTNZ-UHFFFAOYSA-N -1 1 413.499 4.468 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnn([C@@H](C)C4CC4)c3)cc2)cc1 ZINC000428212550 857112759 /nfs/dbraw/zinc/11/27/59/857112759.db2.gz YVZLZRIKEXSTCB-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CC[C@H]2CCC[C@H]21 ZINC000428536883 857249271 /nfs/dbraw/zinc/24/92/71/857249271.db2.gz KEWHXMZKJOFLAN-AUUYWEPGSA-N -1 1 404.919 4.155 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)n1 ZINC000428697306 857300360 /nfs/dbraw/zinc/30/03/60/857300360.db2.gz CCTVXEBPGXAROE-UHFFFAOYSA-N -1 1 423.542 4.319 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n1 ZINC000428703799 857302702 /nfs/dbraw/zinc/30/27/02/857302702.db2.gz VEDOTQQIJYLIPK-UHFFFAOYSA-N -1 1 403.523 4.337 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)c2)cc1 ZINC000430465273 858179160 /nfs/dbraw/zinc/17/91/60/858179160.db2.gz GETDGPVBHKCLOU-APWZRJJASA-N -1 1 416.543 4.147 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cnc2onc(-c3ccccc3)c2c1 ZINC000431148028 858470416 /nfs/dbraw/zinc/47/04/16/858470416.db2.gz WKTJZEAVUXJUEB-UHFFFAOYSA-N -1 1 405.357 4.108 20 0 HIADMM CCc1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)o1 ZINC000431276878 858543385 /nfs/dbraw/zinc/54/33/85/858543385.db2.gz SRNCIYIZICWZLI-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3cc(Cl)ccc3F)n2)cc1 ZINC000431309063 858556900 /nfs/dbraw/zinc/55/69/00/858556900.db2.gz XMTAGLUWUZMEFX-LBPRGKRZSA-N -1 1 423.897 4.272 20 0 HIADMM Cc1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)c(C)o1 ZINC000431360123 858579344 /nfs/dbraw/zinc/57/93/44/858579344.db2.gz VSQBTCSTVIVEAR-UHFFFAOYSA-N -1 1 423.853 4.137 20 0 HIADMM CSc1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)o1 ZINC000431457181 858625735 /nfs/dbraw/zinc/62/57/35/858625735.db2.gz HUAODYIAMVTUMJ-UHFFFAOYSA-N -1 1 407.083 4.484 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000431497678 858644358 /nfs/dbraw/zinc/64/43/58/858644358.db2.gz YNAJBRINYCNOLU-UHFFFAOYSA-N -1 1 424.507 4.191 20 0 HIADMM CC(C)N(CC1CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000431555010 858667769 /nfs/dbraw/zinc/66/77/69/858667769.db2.gz DLWHHHBVBQAHGD-UHFFFAOYSA-N -1 1 404.507 4.277 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1cccc(Cl)c1Br ZINC000431623967 858695984 /nfs/dbraw/zinc/69/59/84/858695984.db2.gz UKLVRBKOUBRDLL-ZDUSSCGKSA-N -1 1 410.667 4.387 20 0 HIADMM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431627899 858697958 /nfs/dbraw/zinc/69/79/58/858697958.db2.gz KWLRCPCZXCMJGD-QGZVFWFLSA-N -1 1 419.877 4.040 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431890381 858858492 /nfs/dbraw/zinc/85/84/92/858858492.db2.gz DGQIMICEXAIAML-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cc1F ZINC000432055506 858954241 /nfs/dbraw/zinc/95/42/41/858954241.db2.gz RHAVHKAZMBNIQD-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(-c4noc(C5CC5)n4)c3)ccc2O1 ZINC000432465299 859176161 /nfs/dbraw/zinc/17/61/61/859176161.db2.gz OYLLYJHWWNPUKD-UHFFFAOYSA-N -1 1 411.483 4.128 20 0 HIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1ncoc1-c1ccc(F)cc1 ZINC000432601518 859249542 /nfs/dbraw/zinc/24/95/42/859249542.db2.gz NIBYJCRJVMBPLZ-KRWDZBQOSA-N -1 1 420.469 5.053 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc(-c3cscn3)no2)c1 ZINC000432687919 859295533 /nfs/dbraw/zinc/29/55/33/859295533.db2.gz BDYWPAZNIDOQQO-UHFFFAOYSA-N -1 1 418.887 4.314 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2cc(Br)c(Cl)s2)[n-]c1=O ZINC000432699266 859302058 /nfs/dbraw/zinc/30/20/58/859302058.db2.gz NOJUCEGPWAMHPG-QPJJXVBHSA-N -1 1 403.685 4.397 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2NC(=O)NC(C)C)cc1C(C)C ZINC000432762003 859341402 /nfs/dbraw/zinc/34/14/02/859341402.db2.gz YSWHDHHSACGMDP-UHFFFAOYSA-N -1 1 419.547 4.458 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1Cl ZINC000432768453 859349325 /nfs/dbraw/zinc/34/93/25/859349325.db2.gz LIGBYPHHOWTTOA-UHFFFAOYSA-N -1 1 403.891 4.223 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-n2nc(C)nc2C)cc1C(C)C ZINC000432776559 859353889 /nfs/dbraw/zinc/35/38/89/859353889.db2.gz PFECPYDABDLLJD-UHFFFAOYSA-N -1 1 414.531 4.125 20 0 HIADMM COC(=O)c1cccc(CS(=O)(=O)[N-]c2ccc(-c3ccc(Cl)s3)cn2)c1 ZINC000433129225 859532226 /nfs/dbraw/zinc/53/22/26/859532226.db2.gz CSXXXDDENINXBN-UHFFFAOYSA-N -1 1 422.915 4.192 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccncc1C(F)(F)F ZINC000433224189 859576821 /nfs/dbraw/zinc/57/68/21/859576821.db2.gz XNQJVLORMCZHBY-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM Cc1cc(F)cc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000433312656 859632583 /nfs/dbraw/zinc/63/25/83/859632583.db2.gz RPMUNKDNEPRQOX-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM CCC[C@@H](NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)c1nn[n-]n1 ZINC000467653113 881448788 /nfs/dbraw/zinc/44/87/88/881448788.db2.gz JSGQMRZMQZSSBX-LJQANCHMSA-N -1 1 406.465 4.077 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c[nH]nc4c3)cc2)c1 ZINC000433527261 859756455 /nfs/dbraw/zinc/75/64/55/859756455.db2.gz YQQXNUBHTQTRSW-UHFFFAOYSA-N -1 1 420.494 4.178 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1nccs1 ZINC000433650248 859824215 /nfs/dbraw/zinc/82/42/15/859824215.db2.gz RCQHSHAMWRFRKE-ZCFIWIBFSA-N -1 1 401.760 4.050 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1occc1Br ZINC000434230413 860215395 /nfs/dbraw/zinc/21/53/95/860215395.db2.gz ZCZHNSUATYQDBO-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1occc1Br ZINC000434232830 860216826 /nfs/dbraw/zinc/21/68/26/860216826.db2.gz IUSDLKYVTBZQQJ-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM CCSCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000434291481 860256643 /nfs/dbraw/zinc/25/66/43/860256643.db2.gz CYSSIVLVOZULGB-KRWDZBQOSA-N -1 1 420.600 4.400 20 0 HIADMM CCSCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000434305603 860269031 /nfs/dbraw/zinc/26/90/31/860269031.db2.gz LXQXMKSASMXIBL-HNNXBMFYSA-N -1 1 424.563 4.230 20 0 HIADMM CCCNc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000434550066 860396932 /nfs/dbraw/zinc/39/69/32/860396932.db2.gz TZBURXARGPYQKN-UHFFFAOYSA-N -1 1 423.538 4.239 20 0 HIADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)c1 ZINC000435147828 860666235 /nfs/dbraw/zinc/66/62/35/860666235.db2.gz ZGLNDRVKSSBGQH-UHFFFAOYSA-N -1 1 402.497 4.051 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OCc2cccc(C)c2)cc1C ZINC000467757885 881572527 /nfs/dbraw/zinc/57/25/27/881572527.db2.gz FYBUKUMVHUCIGD-UHFFFAOYSA-N -1 1 415.467 4.283 20 0 HIADMM COc1ccc(Sc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2)cc1 ZINC000467757842 881574415 /nfs/dbraw/zinc/57/44/15/881574415.db2.gz YSFGGTQYJFWQDM-UHFFFAOYSA-N -1 1 419.480 4.247 20 0 HIADMM O=S(=O)([N-]CCc1nc2ccccc2s1)c1c(Cl)cc(F)cc1Cl ZINC000435434694 860798181 /nfs/dbraw/zinc/79/81/81/860798181.db2.gz TYJZQHGMISMEFN-UHFFFAOYSA-N -1 1 405.303 4.263 20 0 HIADMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000435485723 860816892 /nfs/dbraw/zinc/81/68/92/860816892.db2.gz BXTUVZRJRCEMFL-UHFFFAOYSA-N -1 1 415.437 4.217 20 0 HIADMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000435490959 860819871 /nfs/dbraw/zinc/81/98/71/860819871.db2.gz RIURTGKGVQJOGO-UHFFFAOYSA-N -1 1 403.548 4.478 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Br)c1cccc(Cl)c1F ZINC000435722252 861006776 /nfs/dbraw/zinc/00/67/76/861006776.db2.gz IIBOEQASDJKKPX-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CO[C@@H](C)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438044010 863404773 /nfs/dbraw/zinc/40/47/73/863404773.db2.gz XKZSKMOHWBBHBR-LBPRGKRZSA-N -1 1 414.886 4.034 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)o1 ZINC000438362005 863825721 /nfs/dbraw/zinc/82/57/21/863825721.db2.gz ZLCITTKYGOPLDP-AWEZNQCLSA-N -1 1 416.524 4.293 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1-c1ccc2c(c1)OCCO2 ZINC000438387766 863840656 /nfs/dbraw/zinc/84/06/56/863840656.db2.gz NPJWBDMHPJHLLU-UHFFFAOYSA-N -1 1 413.499 4.081 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1 ZINC000438718367 864200262 /nfs/dbraw/zinc/20/02/62/864200262.db2.gz QGJWMADRODXAQR-UHFFFAOYSA-N -1 1 400.269 4.228 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000438752772 864243207 /nfs/dbraw/zinc/24/32/07/864243207.db2.gz GNERCSSCDWCZQF-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)c(C)c3)cc2C[C@@H]1C ZINC000438753382 864245837 /nfs/dbraw/zinc/24/58/37/864245837.db2.gz HUCHKYFKQQLQFZ-LBPRGKRZSA-N -1 1 412.433 4.112 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(CC(=O)N2CCc3ccccc32)cc1 ZINC000438772699 864267629 /nfs/dbraw/zinc/26/76/29/864267629.db2.gz NXHPJCZUPFBDDD-UHFFFAOYSA-N -1 1 424.497 4.067 20 0 HIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)c2)n1 ZINC000438807251 864296897 /nfs/dbraw/zinc/29/68/97/864296897.db2.gz RMXRIUXIIYFTQF-UHFFFAOYSA-N -1 1 424.295 4.192 20 0 HIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(Br)c3)c2)n1 ZINC000438806665 864297455 /nfs/dbraw/zinc/29/74/55/864297455.db2.gz PZABTYMLZPOMLO-UHFFFAOYSA-N -1 1 420.332 4.361 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1Cl ZINC000438811288 864302215 /nfs/dbraw/zinc/30/22/15/864302215.db2.gz LBBIHIPEGFVYLL-UHFFFAOYSA-N -1 1 422.821 4.165 20 0 HIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000438812567 864304212 /nfs/dbraw/zinc/30/42/12/864304212.db2.gz UBVNGLDOFUVILV-UHFFFAOYSA-N -1 1 403.529 4.353 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)c1nc(-c2cccnc2)no1 ZINC000438997369 864453735 /nfs/dbraw/zinc/45/37/35/864453735.db2.gz HAFQIJMFMZKBKX-MRXNPFEDSA-N -1 1 420.560 4.166 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)c1nc(-c2cccc(F)c2)no1 ZINC000439005631 864458661 /nfs/dbraw/zinc/45/86/61/864458661.db2.gz SRCOYHNGSVJQAH-LLVKDONJSA-N -1 1 409.508 4.274 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)c1nc(-c2ccncc2)no1 ZINC000439006482 864460188 /nfs/dbraw/zinc/46/01/88/864460188.db2.gz XBBJFWUWGWLQHH-MRXNPFEDSA-N -1 1 420.560 4.166 20 0 HIADMM CCN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000439019163 864472081 /nfs/dbraw/zinc/47/20/81/864472081.db2.gz JYOMPYQEUFLUSG-UHFFFAOYSA-N -1 1 423.538 4.162 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)C3(C)CC3)c2)c1 ZINC000439021395 864474891 /nfs/dbraw/zinc/47/48/91/864474891.db2.gz JQZHFNRSWGSMTM-QGZVFWFLSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2C[C@@H](C)CC[C@H]2C)c1 ZINC000439087180 864534724 /nfs/dbraw/zinc/53/47/24/864534724.db2.gz NRUHDFOLSPEYJS-GOEBONIOSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2nncs2)cc1 ZINC000439248336 864664895 /nfs/dbraw/zinc/66/48/95/864664895.db2.gz QCUCJNLGTJNEPH-UHFFFAOYSA-N -1 1 410.318 4.077 20 0 HIADMM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cccnc1 ZINC000467931752 881805259 /nfs/dbraw/zinc/80/52/59/881805259.db2.gz ZUVKCCDURPERJT-CQSZACIVSA-N -1 1 415.902 4.278 20 0 HIADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cccnc1 ZINC000467931751 881805449 /nfs/dbraw/zinc/80/54/49/881805449.db2.gz ZUVKCCDURPERJT-AWEZNQCLSA-N -1 1 415.902 4.278 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)cc1Br ZINC000467933198 881806024 /nfs/dbraw/zinc/80/60/24/881806024.db2.gz IRFGUYPRTRPWMU-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3cccs3)c2)cc1 ZINC000439569188 864892028 /nfs/dbraw/zinc/89/20/28/864892028.db2.gz KOLOMWJFDLKFIU-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM C[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1)n1cccn1 ZINC000439573474 864895458 /nfs/dbraw/zinc/89/54/58/864895458.db2.gz OXGGLGJACHJWAW-MRXNPFEDSA-N -1 1 420.494 4.037 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000439576043 864897121 /nfs/dbraw/zinc/89/71/21/864897121.db2.gz WLIMDGHREKJHOH-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM CC(C)(C)S(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000439581769 864904666 /nfs/dbraw/zinc/90/46/66/864904666.db2.gz POKWXZYVMQBIDI-UHFFFAOYSA-N -1 1 417.552 4.354 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000439692404 865029186 /nfs/dbraw/zinc/02/91/86/865029186.db2.gz PRTDZVJGJUKIIE-NRFANRHFSA-N -1 1 420.557 4.246 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1 ZINC000439993768 865301240 /nfs/dbraw/zinc/30/12/40/865301240.db2.gz FXBFPVJCYAPJQZ-UHFFFAOYSA-N -1 1 400.422 4.114 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c(=O)[n-]1 ZINC000439996027 865302855 /nfs/dbraw/zinc/30/28/55/865302855.db2.gz DNWYNWICBDOAQO-HSZRJFAPSA-N -1 1 411.571 4.042 20 0 HIADMM CCc1nc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)nn1-c1ccccc1 ZINC000440471718 865777149 /nfs/dbraw/zinc/77/71/49/865777149.db2.gz RLYXKRVNYHJQCS-UHFFFAOYSA-N -1 1 422.539 4.322 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCC(F)(F)F)c2)c1 ZINC000440531514 865806062 /nfs/dbraw/zinc/80/60/62/865806062.db2.gz MGECPWRJQDZZAB-UHFFFAOYSA-N -1 1 414.449 4.177 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000440690720 865866632 /nfs/dbraw/zinc/86/66/32/865866632.db2.gz FRCCPCRQUPVACW-OAHLLOKOSA-N -1 1 424.563 4.196 20 0 HIADMM O=C(NCc1ccccc1COc1ccccc1Cl)c1nc2ccccc2c(=O)[n-]1 ZINC000440804808 865924983 /nfs/dbraw/zinc/92/49/83/865924983.db2.gz FIXLRPMIGAECLI-UHFFFAOYSA-N -1 1 419.868 4.086 20 0 HIADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000441576405 866660109 /nfs/dbraw/zinc/66/01/09/866660109.db2.gz VOECFFNUIXQYPB-UHFFFAOYSA-N -1 1 402.892 4.266 20 0 HIADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)cc2)cc1 ZINC000442345168 867337586 /nfs/dbraw/zinc/33/75/86/867337586.db2.gz GEPJDFWJKBXRCZ-UHFFFAOYSA-N -1 1 414.458 4.121 20 0 HIADMM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c(C)c1 ZINC000442359696 867345979 /nfs/dbraw/zinc/34/59/79/867345979.db2.gz LBWAMGHHKUIRIQ-OAHLLOKOSA-N -1 1 406.573 4.388 20 0 HIADMM C[C@@H]1COCC[C@H]1c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000442695825 867630581 /nfs/dbraw/zinc/63/05/81/867630581.db2.gz RCORAJRLANOBIX-BDJLRTHQSA-N -1 1 415.396 4.113 20 0 HIADMM COc1cc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc(Cl)c1[O-] ZINC000442865660 867704379 /nfs/dbraw/zinc/70/43/79/867704379.db2.gz IUUGONLBTPCTAR-LLVKDONJSA-N -1 1 403.841 4.178 20 0 HIADMM Cc1c(=O)[n-]c(S[C@H](C)c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 ZINC000442908367 867735245 /nfs/dbraw/zinc/73/52/45/867735245.db2.gz MOFLOEKHSVUYBJ-CQSZACIVSA-N -1 1 400.525 4.414 20 0 HIADMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000443374078 867936173 /nfs/dbraw/zinc/93/61/73/867936173.db2.gz YEMMHLPLFPTSDB-NSHDSACASA-N -1 1 400.736 4.029 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)c3ccccc3)cc2)c1 ZINC000443400751 867959115 /nfs/dbraw/zinc/95/91/15/867959115.db2.gz RKGZALASWDZEIG-UHFFFAOYSA-N -1 1 424.522 4.092 20 0 HIADMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000443405679 867985750 /nfs/dbraw/zinc/98/57/50/867985750.db2.gz XZRJCYCEJQZDFH-UHFFFAOYSA-N -1 1 402.497 4.096 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)c1 ZINC000443406625 867988152 /nfs/dbraw/zinc/98/81/52/867988152.db2.gz ATJQKFFBQDYQRR-UHFFFAOYSA-N -1 1 422.506 4.089 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(NC(=O)C4CC4)c3)c2)n1 ZINC000443407769 867989800 /nfs/dbraw/zinc/98/98/00/867989800.db2.gz FMWMWHSOEYLJBK-UHFFFAOYSA-N -1 1 413.524 4.268 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Sc3ncccn3)cc2C)c1 ZINC000443409692 867992987 /nfs/dbraw/zinc/99/29/87/867992987.db2.gz ONZMHNWYWBWSOS-UHFFFAOYSA-N -1 1 401.513 4.136 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c(C)c(OC)c1 ZINC000443416838 868000636 /nfs/dbraw/zinc/00/06/36/868000636.db2.gz JDUBVYYNRQYKOZ-UHFFFAOYSA-N -1 1 420.712 4.229 20 0 HIADMM CC[C@@]1(C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)C1 ZINC000468247782 882153017 /nfs/dbraw/zinc/15/30/17/882153017.db2.gz VBCFCZCQMZYEFV-NRFANRHFSA-N -1 1 404.507 4.197 20 0 HIADMM C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccc1 ZINC000443532344 868091238 /nfs/dbraw/zinc/09/12/38/868091238.db2.gz TUVRIHYUVRGYCG-HNNXBMFYSA-N -1 1 423.494 4.105 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCOC[C@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000443923723 868460738 /nfs/dbraw/zinc/46/07/38/868460738.db2.gz JCHOQLDCFFVXPR-RDTXWAMCSA-N -1 1 422.934 4.060 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1nc(C2CCCCC2)no1 ZINC000444086009 868609867 /nfs/dbraw/zinc/60/98/67/868609867.db2.gz PWDSNRZMMZIQGA-SNVBAGLBSA-N -1 1 421.416 4.315 20 0 HIADMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444220534 868673348 /nfs/dbraw/zinc/67/33/48/868673348.db2.gz XUXUQJPSGQVDKF-LBPRGKRZSA-N -1 1 416.343 4.282 20 0 HIADMM C[C@@H](CN(C)C(=O)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)c1nn[n-]n1 ZINC000444298504 868728841 /nfs/dbraw/zinc/72/88/41/868728841.db2.gz XPEDORYFCXHMBN-JTQLQIEISA-N -1 1 424.263 4.314 20 0 HIADMM Cn1ncc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1-c1ccccc1 ZINC000444339148 868767322 /nfs/dbraw/zinc/76/73/22/868767322.db2.gz JNXYJZVOXCWZQW-UHFFFAOYSA-N -1 1 418.497 4.108 20 0 HIADMM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444360558 868788125 /nfs/dbraw/zinc/78/81/25/868788125.db2.gz FBUZEEVJVXHNNX-UHFFFAOYSA-N -1 1 421.419 4.429 20 0 HIADMM Cc1nc(CCCC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cs1 ZINC000444368570 868792771 /nfs/dbraw/zinc/79/27/71/868792771.db2.gz SMEQDVNUJPHIPW-UHFFFAOYSA-N -1 1 401.532 4.181 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cnc([C@H]2CCCO2)s1 ZINC000444371362 868796088 /nfs/dbraw/zinc/79/60/88/868796088.db2.gz GSJKCHCOBBIJLI-QGZVFWFLSA-N -1 1 415.515 4.015 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)nn1[C@H](C)C1CC1 ZINC000444379020 868801179 /nfs/dbraw/zinc/80/11/79/868801179.db2.gz KXHVYONYTDCGRV-OAHLLOKOSA-N -1 1 410.518 4.183 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(C)C)C2)cc1 ZINC000444380294 868801724 /nfs/dbraw/zinc/80/17/24/868801724.db2.gz NKEPMEWYMJKFDM-IBGZPJMESA-N -1 1 400.544 4.304 20 0 HIADMM O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444391152 868805216 /nfs/dbraw/zinc/80/52/16/868805216.db2.gz JGXAYCMMOOFOFG-UHFFFAOYSA-N -1 1 412.461 4.195 20 0 HIADMM COc1ccc2[nH]cc(CC(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)c2c1 ZINC000444396722 868809038 /nfs/dbraw/zinc/80/90/38/868809038.db2.gz ZBQUJMAOAQUGMC-UHFFFAOYSA-N -1 1 421.497 4.126 20 0 HIADMM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000444415084 868818930 /nfs/dbraw/zinc/81/89/30/868818930.db2.gz WXQHRZDOXWNQHG-PIGZYNQJSA-N -1 1 410.695 4.410 20 0 HIADMM CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccc2[nH]ccc2c1 ZINC000444415718 868819055 /nfs/dbraw/zinc/81/90/55/868819055.db2.gz VEJJXDCUYFTHQI-UHFFFAOYSA-N -1 1 410.271 4.439 20 0 HIADMM Cc1c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cnn1C1CCCC1 ZINC000444446839 868831699 /nfs/dbraw/zinc/83/16/99/868831699.db2.gz UGXBCLQIJKWMNZ-UHFFFAOYSA-N -1 1 424.526 4.360 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000444510123 868862764 /nfs/dbraw/zinc/86/27/64/868862764.db2.gz GVIPYUNWXNFTOS-HXUWFJFHSA-N -1 1 406.507 4.241 20 0 HIADMM O=C(Nc1nc(C2CCC2)cs1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000444528289 868869459 /nfs/dbraw/zinc/86/94/59/868869459.db2.gz VXBOTTMJFKOYST-UHFFFAOYSA-N -1 1 413.524 4.464 20 0 HIADMM CC[C@@H](C)[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000444545416 868876800 /nfs/dbraw/zinc/87/68/00/868876800.db2.gz LFLUSSNDCDGREW-DYVFJYSZSA-N -1 1 414.449 4.194 20 0 HIADMM COc1ccc(NC(=O)Cc2noc(-c3ccc4ccccc4c3[O-])n2)cc1Cl ZINC000445380920 869463466 /nfs/dbraw/zinc/46/34/66/869463466.db2.gz POMBBFBMPYSMQB-UHFFFAOYSA-N -1 1 409.829 4.439 20 0 HIADMM COc1cc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc(Br)c1[O-] ZINC000445390225 869475746 /nfs/dbraw/zinc/47/57/46/869475746.db2.gz GLXUXXCETLCEIL-UHFFFAOYSA-N -1 1 400.232 4.285 20 0 HIADMM COc1cc(-c2noc(CCNc3ccccc3C)n2)cc(Br)c1[O-] ZINC000445393841 869478764 /nfs/dbraw/zinc/47/87/64/869478764.db2.gz PRFKYTRXRVPTHK-UHFFFAOYSA-N -1 1 404.264 4.176 20 0 HIADMM COc1cc(-c2noc(/C=C\c3ccc4c(c3)CCO4)n2)cc(Br)c1[O-] ZINC000445395486 869481675 /nfs/dbraw/zinc/48/16/75/869481675.db2.gz WWMZSBMPSGOCSI-HYXAFXHYSA-N -1 1 415.243 4.319 20 0 HIADMM COc1cc(Cc2nc(-c3cc(Br)c([O-])c(OC)c3)no2)ccc1C ZINC000445402464 869486789 /nfs/dbraw/zinc/48/67/89/869486789.db2.gz KRXLISJDCGGHAB-UHFFFAOYSA-N -1 1 405.248 4.121 20 0 HIADMM CCOC(=O)c1ccc(-c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)nc1C ZINC000445418767 869501618 /nfs/dbraw/zinc/50/16/18/869501618.db2.gz PVEACOSMRMFPKC-UHFFFAOYSA-N -1 1 403.822 4.041 20 0 HIADMM CCOc1cc(-c2noc(C3CCN(C(=O)c4ccoc4)CC3)n2)cc(Cl)c1[O-] ZINC000445425988 869509721 /nfs/dbraw/zinc/50/97/21/869509721.db2.gz HJDDTQQXWFOIFI-UHFFFAOYSA-N -1 1 417.849 4.107 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc(Cl)c1[O-] ZINC000445430229 869514721 /nfs/dbraw/zinc/51/47/21/869514721.db2.gz IMCJMXYULBMYRJ-SFHVURJKSA-N -1 1 415.877 4.068 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc(OCC(F)(F)F)n3)n2)cc(Cl)c1[O-] ZINC000445430784 869515642 /nfs/dbraw/zinc/51/56/42/869515642.db2.gz JRYWRAXESMIPDD-UHFFFAOYSA-N -1 1 415.755 4.497 20 0 HIADMM CCOc1cc(-c2noc(C[C@H]3Sc4ccccc4NC3=O)n2)cc(Cl)c1[O-] ZINC000445431840 869516478 /nfs/dbraw/zinc/51/64/78/869516478.db2.gz QPSFHNYOXFUEHB-OAHLLOKOSA-N -1 1 417.874 4.150 20 0 HIADMM C[C@H](NC(=O)c1ccc(Br)cc1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445443276 869525026 /nfs/dbraw/zinc/52/50/26/869525026.db2.gz BQSMWLLGBJAOEN-VIFPVBQESA-N -1 1 422.666 4.349 20 0 HIADMM Cc1ccc(-c2noc(CCc3nc(-c4ccc([O-])cc4Cl)no3)n2)cc1F ZINC000445444937 869526569 /nfs/dbraw/zinc/52/65/69/869526569.db2.gz HWVTXBRGRCTCQQ-UHFFFAOYSA-N -1 1 400.797 4.378 20 0 HIADMM Cc1occc1C(=O)Nc1nc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cs1 ZINC000445445673 869527539 /nfs/dbraw/zinc/52/75/39/869527539.db2.gz JXXVYAUBSYQDQZ-UHFFFAOYSA-N -1 1 416.846 4.297 20 0 HIADMM O=C(Nc1nc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cs1)c1cccs1 ZINC000445452673 869530950 /nfs/dbraw/zinc/53/09/50/869530950.db2.gz SNINDJPQGDAMIC-UHFFFAOYSA-N -1 1 418.887 4.457 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccoc3)no2)cc1)c1ccc(F)c(F)c1 ZINC000445457549 869534697 /nfs/dbraw/zinc/53/46/97/869534697.db2.gz NSIJRCGAODMZTM-UHFFFAOYSA-N -1 1 403.366 4.076 20 0 HIADMM O=C1CCCN1c1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc(C(F)(F)F)c1 ZINC000445478096 869550197 /nfs/dbraw/zinc/55/01/97/869550197.db2.gz QAGRNXAOJOKHPX-UHFFFAOYSA-N -1 1 407.323 4.394 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C4CCSCC4)no3)c2)c1 ZINC000445568079 869627820 /nfs/dbraw/zinc/62/78/20/869627820.db2.gz VZTKKHXGDCDTHC-UHFFFAOYSA-N -1 1 415.540 4.456 20 0 HIADMM Cc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000445651203 869721845 /nfs/dbraw/zinc/72/18/45/869721845.db2.gz RDWXDGCVMYHWQA-SFHVURJKSA-N -1 1 422.934 4.347 20 0 HIADMM C[C@H](NC(=O)Cc1noc(-c2ccc([O-])cc2F)n1)c1ccc(Cl)cc1Cl ZINC000445749240 869799414 /nfs/dbraw/zinc/79/94/14/869799414.db2.gz LCLDELAUORCUGL-VIFPVBQESA-N -1 1 410.232 4.308 20 0 HIADMM CCC1(c2noc([C@H](C)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)n2)CCCC1 ZINC000445780181 869819817 /nfs/dbraw/zinc/81/98/17/869819817.db2.gz HMXHFRGLWJMHTA-LBPRGKRZSA-N -1 1 417.453 4.350 20 0 HIADMM CCC1(c2noc([C@@H](C)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)n2)CCCC1 ZINC000445780180 869820137 /nfs/dbraw/zinc/82/01/37/869820137.db2.gz HMXHFRGLWJMHTA-GFCCVEGCSA-N -1 1 417.453 4.350 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCCc1cc(Cl)sc1Cl ZINC000445992539 869954968 /nfs/dbraw/zinc/95/49/68/869954968.db2.gz ANUNEHYHARZRSL-UHFFFAOYSA-N -1 1 413.330 4.059 20 0 HIADMM O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000446026441 869993198 /nfs/dbraw/zinc/99/31/98/869993198.db2.gz RUFBKVCHDDYDGR-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CC(C)[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000446517025 870434965 /nfs/dbraw/zinc/43/49/65/870434965.db2.gz BXTJLZLACLQUQK-HNNXBMFYSA-N -1 1 424.925 4.398 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](C(C)C)C3)c2)cc1F ZINC000446521477 870438958 /nfs/dbraw/zinc/43/89/58/870438958.db2.gz MDAFQQGKIVOZOG-QGZVFWFLSA-N -1 1 404.507 4.053 20 0 HIADMM CCC1(CC)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000446687011 870602793 /nfs/dbraw/zinc/60/27/93/870602793.db2.gz FRFIKPMNYBIKKR-UHFFFAOYSA-N -1 1 404.507 4.279 20 0 HIADMM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)c(C)n1 ZINC000446703043 870618603 /nfs/dbraw/zinc/61/86/03/870618603.db2.gz VAIRAMFXPSKLSZ-UHFFFAOYSA-N -1 1 413.474 4.199 20 0 HIADMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000446721681 870638529 /nfs/dbraw/zinc/63/85/29/870638529.db2.gz WLONERBIBHYUAW-UHFFFAOYSA-N -1 1 419.341 4.359 20 0 HIADMM CC(C)c1cc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)[nH]n1 ZINC000446939744 870849465 /nfs/dbraw/zinc/84/94/65/870849465.db2.gz PTAXNLNLVGIIDR-UHFFFAOYSA-N -1 1 412.231 4.115 20 0 HIADMM O=S(=O)(Cc1sccc1Br)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447478598 871364976 /nfs/dbraw/zinc/36/49/76/871364976.db2.gz CCRAKVBCGTZDLU-UHFFFAOYSA-N -1 1 401.282 4.014 20 0 HIADMM O=S(=O)(Cc1sccc1Br)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447478598 871364991 /nfs/dbraw/zinc/36/49/91/871364991.db2.gz CCRAKVBCGTZDLU-UHFFFAOYSA-N -1 1 401.282 4.014 20 0 HIADMM O=S(=O)(Cc1coc(-c2c(F)cccc2F)n1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447496361 871374538 /nfs/dbraw/zinc/37/45/38/871374538.db2.gz AUKJWRFPJYVAOS-UHFFFAOYSA-N -1 1 419.384 4.123 20 0 HIADMM O=S(=O)(Cc1coc(-c2c(F)cccc2F)n1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447496361 871374555 /nfs/dbraw/zinc/37/45/55/871374555.db2.gz AUKJWRFPJYVAOS-UHFFFAOYSA-N -1 1 419.384 4.123 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447504725 871379045 /nfs/dbraw/zinc/37/90/45/871379045.db2.gz RBMLSLMZHNDZAN-UHFFFAOYSA-N -1 1 417.462 4.452 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447504725 871379063 /nfs/dbraw/zinc/37/90/63/871379063.db2.gz RBMLSLMZHNDZAN-UHFFFAOYSA-N -1 1 417.462 4.452 20 0 HIADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)s2)oc1-c1ccc(Cl)cc1 ZINC000447650656 871574100 /nfs/dbraw/zinc/57/41/00/871574100.db2.gz ALEQMBYHZUUFFQ-UHFFFAOYSA-N -1 1 403.312 4.497 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447779663 871708526 /nfs/dbraw/zinc/70/85/26/871708526.db2.gz UFLMOQSSPLZQSG-UHFFFAOYSA-N -1 1 404.385 4.384 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000447786338 871719541 /nfs/dbraw/zinc/71/95/41/871719541.db2.gz IZILUNPGKPZIBZ-UHFFFAOYSA-N -1 1 410.373 4.415 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)c2)no1 ZINC000447787473 871721389 /nfs/dbraw/zinc/72/13/89/871721389.db2.gz PZGUGKUDJIWZRA-UHFFFAOYSA-N -1 1 401.341 4.004 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447791626 871726319 /nfs/dbraw/zinc/72/63/19/871726319.db2.gz LREVXVWVDMEIEP-UHFFFAOYSA-N -1 1 413.352 4.228 20 0 HIADMM Cc1ccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)[nH]n2)o1 ZINC000447799091 871737733 /nfs/dbraw/zinc/73/77/33/871737733.db2.gz FGHCRHNTCVFXIB-UHFFFAOYSA-N -1 1 422.466 4.031 20 0 HIADMM COCC1(C)CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000447843156 871768609 /nfs/dbraw/zinc/76/86/09/871768609.db2.gz FPFKIYPGSPWEKB-UHFFFAOYSA-N -1 1 423.296 4.060 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C(F)(F)F)cc(C)c1F ZINC000460408743 873059666 /nfs/dbraw/zinc/05/96/66/873059666.db2.gz HLTWUXQYSQAHQI-UHFFFAOYSA-N -1 1 413.396 4.448 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)cc(C)c1F ZINC000460426000 873088189 /nfs/dbraw/zinc/08/81/89/873088189.db2.gz NPGGZSMLSRYQKO-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2Br)s1 ZINC000460444132 873112186 /nfs/dbraw/zinc/11/21/86/873112186.db2.gz OLFXRLYOORDMGW-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM Cc1c(=O)[n-]c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc1-c1ccccc1 ZINC000460435356 873100570 /nfs/dbraw/zinc/10/05/70/873100570.db2.gz FQGQSMCTTUSGRF-UHFFFAOYSA-N -1 1 410.886 4.111 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1OCC ZINC000460819860 873702608 /nfs/dbraw/zinc/70/26/08/873702608.db2.gz KHQDPTQUDVQVRJ-UHFFFAOYSA-N -1 1 403.422 4.390 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Oc3cc(C)ccn3)c2)cc1OC ZINC000460826041 873710330 /nfs/dbraw/zinc/71/03/30/873710330.db2.gz BJSWDLSPHZVNND-UHFFFAOYSA-N -1 1 414.483 4.309 20 0 HIADMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1C ZINC000460826198 873711603 /nfs/dbraw/zinc/71/16/03/873711603.db2.gz FADHHUPUROXBQE-UHFFFAOYSA-N -1 1 410.561 4.071 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2)c1 ZINC000460837059 873725268 /nfs/dbraw/zinc/72/52/68/873725268.db2.gz AMBWYYYKPMKWHX-UHFFFAOYSA-N -1 1 400.544 4.483 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000461189757 874183042 /nfs/dbraw/zinc/18/30/42/874183042.db2.gz IIXGQDRHEYBOFK-INIZCTEOSA-N -1 1 418.559 4.038 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000461197216 874195714 /nfs/dbraw/zinc/19/57/14/874195714.db2.gz PZQWFEFRCGJKTF-HXUWFJFHSA-N -1 1 414.502 4.031 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000461200677 874202494 /nfs/dbraw/zinc/20/24/94/874202494.db2.gz GSOWDPARTMJYLU-QGZVFWFLSA-N -1 1 418.559 4.038 20 0 HIADMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000461289101 874295080 /nfs/dbraw/zinc/29/50/80/874295080.db2.gz MSUWRGAYDLPEPM-IBGZPJMESA-N -1 1 422.550 4.465 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)ccc1Br ZINC000461424315 874456744 /nfs/dbraw/zinc/45/67/44/874456744.db2.gz BKGYPTQBYFAHGD-UHFFFAOYSA-N -1 1 409.349 4.282 20 0 HIADMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)c2C1 ZINC000461431671 874476037 /nfs/dbraw/zinc/47/60/37/874476037.db2.gz RXQKIPWEADLIJN-UHFFFAOYSA-N -1 1 416.877 4.466 20 0 HIADMM CCCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000461620107 874771574 /nfs/dbraw/zinc/77/15/74/874771574.db2.gz VAMDPMJQIPMNQY-INIZCTEOSA-N -1 1 404.532 4.147 20 0 HIADMM O=S(=O)([N-]c1cc(-c2ccncc2)n[nH]1)c1cc(Cl)ccc1OCC1CCC1 ZINC000468886680 882928886 /nfs/dbraw/zinc/92/88/86/882928886.db2.gz IDZLSFTWBZOGAU-UHFFFAOYSA-N -1 1 418.906 4.105 20 0 HIADMM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000462315524 875436456 /nfs/dbraw/zinc/43/64/56/875436456.db2.gz JARJQJKYFCIUPC-WBVHZDCISA-N -1 1 419.852 4.376 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)c1 ZINC000462380501 875492794 /nfs/dbraw/zinc/49/27/94/875492794.db2.gz LZOGXBVOOJRLFT-INIZCTEOSA-N -1 1 400.544 4.440 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2sc(C)cc2Br)on1 ZINC000462396311 875505475 /nfs/dbraw/zinc/50/54/75/875505475.db2.gz WWGABDFFOOGLCR-UHFFFAOYSA-N -1 1 407.355 4.189 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1c2ccccc2CCC[C@@H]1C ZINC000463049125 876077148 /nfs/dbraw/zinc/07/71/48/876077148.db2.gz QDNYCAKGIIVVNQ-QMHKHESXSA-N -1 1 416.525 4.315 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ncsc3Cl)no2)cc1)c1ccccc1 ZINC000463167492 876223672 /nfs/dbraw/zinc/22/36/72/876223672.db2.gz WCVNYLUHFXYZMN-UHFFFAOYSA-N -1 1 418.887 4.314 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nc(CC2CC(C)(C)C2)no1 ZINC000463170536 876226365 /nfs/dbraw/zinc/22/63/65/876226365.db2.gz HDWNBLWZGBVGIJ-LLVKDONJSA-N -1 1 417.453 4.107 20 0 HIADMM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000463367438 876420979 /nfs/dbraw/zinc/42/09/79/876420979.db2.gz MFLLFNTVSVPFQK-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM CCOc1c(F)cccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000463390618 876445481 /nfs/dbraw/zinc/44/54/81/876445481.db2.gz NSNGUQSLZBBMRK-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)C2 ZINC000463392388 876446654 /nfs/dbraw/zinc/44/66/54/876446654.db2.gz QSVGSOJRCCLONB-QFIPXVFZSA-N -1 1 422.506 4.046 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)cc1Cl ZINC000463512386 876575807 /nfs/dbraw/zinc/57/58/07/876575807.db2.gz LLXOHBLUZCSBDP-UHFFFAOYSA-N -1 1 420.947 4.067 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1OC(C)C ZINC000463783765 876903563 /nfs/dbraw/zinc/90/35/63/876903563.db2.gz DIPLQJLEVYERAY-UHFFFAOYSA-N -1 1 412.467 4.002 20 0 HIADMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1Cl ZINC000464539513 877754584 /nfs/dbraw/zinc/75/45/84/877754584.db2.gz CSEOWSIVVOCCQD-UHFFFAOYSA-N -1 1 417.314 4.460 20 0 HIADMM Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1C ZINC000464590192 877815203 /nfs/dbraw/zinc/81/52/03/877815203.db2.gz XDIRQPAGQTXIDJ-GOSISDBHSA-N -1 1 418.559 4.341 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000464700620 877918609 /nfs/dbraw/zinc/91/86/09/877918609.db2.gz DKICGCZKCDOTHE-INIZCTEOSA-N -1 1 406.573 4.057 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(O)c3C)c2)c1 ZINC000503334310 912311881 /nfs/dbraw/zinc/31/18/81/912311881.db2.gz AWEOBZRIMYNBMR-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM CC[C@@H]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)O1 ZINC000464863470 878143911 /nfs/dbraw/zinc/14/39/11/878143911.db2.gz TVYIDHXKMKVULQ-AEFFLSMTSA-N -1 1 408.907 4.037 20 0 HIADMM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)O1 ZINC000464864785 878147835 /nfs/dbraw/zinc/14/78/35/878147835.db2.gz SSQSLKCFUXHRKP-OALUTQOASA-N -1 1 402.516 4.000 20 0 HIADMM CC[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000465010140 878370307 /nfs/dbraw/zinc/37/03/07/878370307.db2.gz LYMRKQRJUXQHKF-RXVVDRJESA-N -1 1 415.559 4.208 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](CC(C)C)C2)cc1 ZINC000465308539 878753965 /nfs/dbraw/zinc/75/39/65/878753965.db2.gz SKDGFFXJIRLBKF-GOSISDBHSA-N -1 1 400.544 4.304 20 0 HIADMM CC(C)C[C@@H]1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000465311775 878756676 /nfs/dbraw/zinc/75/66/76/878756676.db2.gz OQVGFXGLZFWIIF-SFHVURJKSA-N -1 1 418.534 4.064 20 0 HIADMM C[C@H]1CCC[C@H](C)N(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000465846301 879486877 /nfs/dbraw/zinc/48/68/77/879486877.db2.gz WJPVZWHTSVPUQL-ROUUACIJSA-N -1 1 415.559 4.208 20 0 HIADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000466474424 880257150 /nfs/dbraw/zinc/25/71/50/880257150.db2.gz OTSCFIAERCIGNP-UHFFFAOYSA-N -1 1 412.305 4.160 20 0 HIADMM CCCCOc1ccc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1Cl ZINC000466538655 880313634 /nfs/dbraw/zinc/31/36/34/880313634.db2.gz IFBSPUCQRCLIEP-UHFFFAOYSA-N -1 1 423.966 4.294 20 0 HIADMM C[C@H]1CCC[C@H]1CNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466714872 880504993 /nfs/dbraw/zinc/50/49/93/880504993.db2.gz CQIJYBOCOSEIBB-HKUYNNGSSA-N -1 1 415.559 4.065 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466959207 880745690 /nfs/dbraw/zinc/74/56/90/880745690.db2.gz GXKBDVMLNIXHCN-LLVKDONJSA-N -1 1 420.289 4.349 20 0 HIADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000466975095 880779428 /nfs/dbraw/zinc/77/94/28/880779428.db2.gz WQFTZGCJUGDDAF-AWEZNQCLSA-N -1 1 411.520 4.072 20 0 HIADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000466975096 880779967 /nfs/dbraw/zinc/77/99/67/880779967.db2.gz WQFTZGCJUGDDAF-CQSZACIVSA-N -1 1 411.520 4.072 20 0 HIADMM CCCc1occc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000467064766 880848698 /nfs/dbraw/zinc/84/86/98/880848698.db2.gz OMCIUNYLVPBXDP-UHFFFAOYSA-N -1 1 402.447 4.424 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)cc1OC ZINC000467086128 880854833 /nfs/dbraw/zinc/85/48/33/880854833.db2.gz RRDIFCIGGIWQAK-UHFFFAOYSA-N -1 1 423.494 4.058 20 0 HIADMM CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000467086931 880855026 /nfs/dbraw/zinc/85/50/26/880855026.db2.gz VHJDUNMLXKFWCO-UHFFFAOYSA-N -1 1 415.433 4.390 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000467089694 880856857 /nfs/dbraw/zinc/85/68/57/880856857.db2.gz KWAANMNSJNVGLU-UHFFFAOYSA-N -1 1 400.544 4.411 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)c2ccc3c(c2)CCC(=O)N3)nc1-c1ccccc1 ZINC000467193911 880923305 /nfs/dbraw/zinc/92/33/05/880923305.db2.gz AYKPRAXKSZIMBM-UHFFFAOYSA-N -1 1 405.479 4.017 20 0 HIADMM CN(C)c1ccccc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469511346 883768170 /nfs/dbraw/zinc/76/81/70/883768170.db2.gz ZXHFOPOCHAQHKH-UHFFFAOYSA-N -1 1 420.694 4.262 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000469937659 884133383 /nfs/dbraw/zinc/13/33/83/884133383.db2.gz FTLDNUWAYRFXHD-NSHDSACASA-N -1 1 419.312 4.047 20 0 HIADMM CC[C@@H]1CN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC000470205717 884522262 /nfs/dbraw/zinc/52/22/62/884522262.db2.gz FJWRSNCNCHYXNY-NQIIRXRSSA-N -1 1 416.525 4.137 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000470239801 884568435 /nfs/dbraw/zinc/56/84/35/884568435.db2.gz OXTZYRIVFVUDGQ-UHFFFAOYSA-N -1 1 400.422 4.418 20 0 HIADMM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000470241937 884572290 /nfs/dbraw/zinc/57/22/90/884572290.db2.gz CQXXCHIHGPYZIY-HXUWFJFHSA-N -1 1 424.545 4.287 20 0 HIADMM Cn1cc(-c2nc(C(=O)[N-]c3nnc(-c4cc5ccccc5o4)s3)cs2)cn1 ZINC000470389979 884794819 /nfs/dbraw/zinc/79/48/19/884794819.db2.gz WLUGVZHGMSCFGV-UHFFFAOYSA-N -1 1 408.468 4.061 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc1Br ZINC000470453479 884848860 /nfs/dbraw/zinc/84/88/60/884848860.db2.gz WPXAZLYDYBPXKZ-LBPRGKRZSA-N -1 1 414.321 4.356 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000470456041 884851216 /nfs/dbraw/zinc/85/12/16/884851216.db2.gz MCVXAVKYSYJQTI-UHFFFAOYSA-N -1 1 403.813 4.463 20 0 HIADMM Cc1cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)nn1-c1cccc(Cl)c1 ZINC000503958956 912885065 /nfs/dbraw/zinc/88/50/65/912885065.db2.gz AAYMVMIQHAGJPU-UHFFFAOYSA-N -1 1 405.845 4.041 20 0 HIADMM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1cc(Cl)sc1Cl ZINC000470610686 885037145 /nfs/dbraw/zinc/03/71/45/885037145.db2.gz FKUVHXBUTDUNTF-UHFFFAOYSA-N -1 1 406.341 4.052 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c(Cl)cc1F ZINC000471109396 885644172 /nfs/dbraw/zinc/64/41/72/885644172.db2.gz FDMIKLBFSDTTEU-INIZCTEOSA-N -1 1 409.870 4.316 20 0 HIADMM CCC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000471235677 885811602 /nfs/dbraw/zinc/81/16/02/885811602.db2.gz SYWDAYFLTJAXDC-UHFFFAOYSA-N -1 1 408.479 4.332 20 0 HIADMM O=S(=O)([N-][C@@H](c1cccc(Cl)c1)c1ccccn1)c1cc(F)c(F)cc1F ZINC000471877031 886656775 /nfs/dbraw/zinc/65/67/75/886656775.db2.gz OTONULABWCWSSS-SFHVURJKSA-N -1 1 412.820 4.220 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2C)cc1 ZINC000471961754 886784532 /nfs/dbraw/zinc/78/45/32/886784532.db2.gz WDKRZVSUSVQKSN-UHFFFAOYSA-N -1 1 415.284 4.046 20 0 HIADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000471977130 886806544 /nfs/dbraw/zinc/80/65/44/886806544.db2.gz LJVMUGHDVPGHPD-CQSZACIVSA-N -1 1 411.520 4.072 20 0 HIADMM Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000472067910 886874636 /nfs/dbraw/zinc/87/46/36/886874636.db2.gz LEOLKLJKEDQBJT-JOCHJYFZSA-N -1 1 423.538 4.193 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000472245644 887056366 /nfs/dbraw/zinc/05/63/66/887056366.db2.gz CLLYTSYHSMQSPA-JXFKEZNVSA-N -1 1 416.518 4.340 20 0 HIADMM CC(=O)CC(C)(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000472470649 887331781 /nfs/dbraw/zinc/33/17/81/887331781.db2.gz OONAUHSMKNOWMF-UHFFFAOYSA-N -1 1 424.469 4.100 20 0 HIADMM O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000504284628 913140357 /nfs/dbraw/zinc/14/03/57/913140357.db2.gz RVIFIWXEPFVAPW-UHFFFAOYSA-N -1 1 423.778 4.488 20 0 HIADMM CCCCn1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)n1 ZINC000472725562 887572313 /nfs/dbraw/zinc/57/23/13/887572313.db2.gz PZOSQWOADATUQT-UHFFFAOYSA-N -1 1 412.515 4.045 20 0 HIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(SCc3cccs3)s2)c1OC ZINC000473143877 887926017 /nfs/dbraw/zinc/92/60/17/887926017.db2.gz NLYOPSZBXXJNBB-UHFFFAOYSA-N -1 1 411.505 4.301 20 0 HIADMM Cc1ncsc1NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000473294554 888048023 /nfs/dbraw/zinc/04/80/23/888048023.db2.gz NMGOBBRSXPMJCL-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1nc(CC(C)C)c(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000473411812 888130451 /nfs/dbraw/zinc/13/04/51/888130451.db2.gz WYBCLQRNPFVQAU-UHFFFAOYSA-N -1 1 411.531 4.087 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)c2ccccc12 ZINC000473443307 888164613 /nfs/dbraw/zinc/16/46/13/888164613.db2.gz PNSNMZOFHHCHAE-UHFFFAOYSA-N -1 1 420.494 4.093 20 0 HIADMM CC1CC(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000473452685 888176869 /nfs/dbraw/zinc/17/68/69/888176869.db2.gz ATHFOJUSUPVIAS-UHFFFAOYSA-N -1 1 413.326 4.323 20 0 HIADMM CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000473480669 888203358 /nfs/dbraw/zinc/20/33/58/888203358.db2.gz RRKXYGGRGCJJDC-SFHVURJKSA-N -1 1 412.939 4.091 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc2cc[nH]c2c1 ZINC000473545669 888283229 /nfs/dbraw/zinc/28/32/29/888283229.db2.gz PVIXZSZPUAQOHW-UHFFFAOYSA-N -1 1 423.469 4.384 20 0 HIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1cc2nccnc2cc1F ZINC000473676304 888439650 /nfs/dbraw/zinc/43/96/50/888439650.db2.gz OCGRZOFWZZNXBO-UHFFFAOYSA-N -1 1 403.489 4.227 20 0 HIADMM COc1cc(OC)c(OC)cc1CN(Cc1nc(=O)c2sccc2[n-]1)C(C)(C)C ZINC000474159432 888996643 /nfs/dbraw/zinc/99/66/43/888996643.db2.gz IMJRAPONEIKHCK-UHFFFAOYSA-N -1 1 417.531 4.223 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2C)cc1C ZINC000504530712 913310870 /nfs/dbraw/zinc/31/08/70/913310870.db2.gz ZCMCIAIIPRVPJF-UHFFFAOYSA-N -1 1 410.543 4.398 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000474300654 889166221 /nfs/dbraw/zinc/16/62/21/889166221.db2.gz DQXNGBNECFSDHT-UHFFFAOYSA-N -1 1 410.518 4.057 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000474307256 889172752 /nfs/dbraw/zinc/17/27/52/889172752.db2.gz JRHYWJSFYLKLCQ-UHFFFAOYSA-N -1 1 410.449 4.045 20 0 HIADMM O=S(=O)([N-]c1cc(C2CCOCC2)n[nH]1)c1ccc(OCC2CCCCC2)cc1 ZINC000474427022 889291072 /nfs/dbraw/zinc/29/10/72/889291072.db2.gz ORLQASVBSLVFMS-UHFFFAOYSA-N -1 1 419.547 4.064 20 0 HIADMM CCOC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCCC1 ZINC000504590557 913348582 /nfs/dbraw/zinc/34/85/82/913348582.db2.gz CQKFPOQCWJLBEW-UHFFFAOYSA-N -1 1 422.934 4.429 20 0 HIADMM CCCCS[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474535444 889409425 /nfs/dbraw/zinc/40/94/25/889409425.db2.gz QLKBNGGQIWIDHS-HNNXBMFYSA-N -1 1 424.563 4.165 20 0 HIADMM C[C@@H]1CC[C@@H](CC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000474548575 889424261 /nfs/dbraw/zinc/42/42/61/889424261.db2.gz RVGDAIQOMPGEHZ-NVXWUHKLSA-N -1 1 404.507 4.069 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000474582819 889454597 /nfs/dbraw/zinc/45/45/97/889454597.db2.gz PLEBPKONXRLROP-UHFFFAOYSA-N -1 1 424.545 4.237 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000474620830 889483945 /nfs/dbraw/zinc/48/39/45/889483945.db2.gz HSOYGLVWXNMUFO-UHFFFAOYSA-N -1 1 421.379 4.109 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000474702024 889560685 /nfs/dbraw/zinc/56/06/85/889560685.db2.gz HYYHJXGWZHQZKR-KRWDZBQOSA-N -1 1 418.522 4.256 20 0 HIADMM CCOc1cc(C(=O)NC[C@H](OC(C)C)c2ccccc2OC)cc(Cl)c1[O-] ZINC000474703300 889562647 /nfs/dbraw/zinc/56/26/47/889562647.db2.gz VVPIYXJMQFKXKB-IBGZPJMESA-N -1 1 407.894 4.349 20 0 HIADMM Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000474867354 889721296 /nfs/dbraw/zinc/72/12/96/889721296.db2.gz HKACDJIQFUOSSI-OAQYLSRUSA-N -1 1 422.506 4.049 20 0 HIADMM CC1CCC(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000474879462 889735142 /nfs/dbraw/zinc/73/51/42/889735142.db2.gz QJWQJLVKXRKHMI-UHFFFAOYSA-N -1 1 402.516 4.021 20 0 HIADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000474896635 889754962 /nfs/dbraw/zinc/75/49/62/889754962.db2.gz LLNOVINVLBJSOU-PKOBYXMFSA-N -1 1 416.543 4.330 20 0 HIADMM CCc1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c(C)o1 ZINC000504636500 913385782 /nfs/dbraw/zinc/38/57/82/913385782.db2.gz UDNZCXWOBMADDJ-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000474999277 889850728 /nfs/dbraw/zinc/85/07/28/889850728.db2.gz YPBZMQGJMVHBNJ-ZDUSSCGKSA-N -1 1 409.511 4.379 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000475322147 890242377 /nfs/dbraw/zinc/24/23/77/890242377.db2.gz ZZHOJNZFQSNOHR-DLBZAZTESA-N -1 1 422.934 4.380 20 0 HIADMM CCN(C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@H](C)C(C)C ZINC000475331006 890250496 /nfs/dbraw/zinc/25/04/96/890250496.db2.gz XFBWZNOCWHVJIE-MRXNPFEDSA-N -1 1 421.538 4.203 20 0 HIADMM CC(=O)N(c1nc(CNCc2ncccc2[O-])cs1)c1ccc(C(F)(F)F)cc1 ZINC000475337535 890257693 /nfs/dbraw/zinc/25/76/93/890257693.db2.gz MAKUXMUZBBWODT-UHFFFAOYSA-N -1 1 422.432 4.237 20 0 HIADMM CC1CCC(C)(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000504716275 913452131 /nfs/dbraw/zinc/45/21/31/913452131.db2.gz OPSAMZDPUPLLAH-UHFFFAOYSA-N -1 1 404.507 4.325 20 0 HIADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000475543986 890468110 /nfs/dbraw/zinc/46/81/10/890468110.db2.gz SCCFJLWMPYXTJW-QFIPXVFZSA-N -1 1 416.525 4.466 20 0 HIADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)cc1F ZINC000475738149 890680004 /nfs/dbraw/zinc/68/00/04/890680004.db2.gz IJIFNKIFNXPZEI-SNVBAGLBSA-N -1 1 401.385 4.058 20 0 HIADMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3ccc(C(C)=O)cc3)ccc2s1 ZINC000475785980 890726296 /nfs/dbraw/zinc/72/62/96/890726296.db2.gz BFSKYLJTCIPQLW-UHFFFAOYSA-N -1 1 403.481 4.081 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(Br)c1 ZINC000475792841 890732499 /nfs/dbraw/zinc/73/24/99/890732499.db2.gz NCOSBPKKNOSKQJ-UHFFFAOYSA-N -1 1 421.110 4.021 20 0 HIADMM Cc1ccc(-c2cccnc2)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000475827206 890760835 /nfs/dbraw/zinc/76/08/35/890760835.db2.gz DOWBSWPTWGBXSO-UHFFFAOYSA-N -1 1 402.859 4.209 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000475831189 890765574 /nfs/dbraw/zinc/76/55/74/890765574.db2.gz BXZYXGDSQRGSRB-UHFFFAOYSA-N -1 1 417.513 4.113 20 0 HIADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000475840795 890774101 /nfs/dbraw/zinc/77/41/01/890774101.db2.gz VITBZLGIUAAAHS-UHFFFAOYSA-N -1 1 401.440 4.071 20 0 HIADMM CC(C)(C)c1nc2cc(NC(=O)c3cc(Cl)ccc3NS(C)(=O)=O)ccc2[nH]1 ZINC000476145134 891068789 /nfs/dbraw/zinc/06/87/89/891068789.db2.gz IKVUVTKIYJAMJV-UHFFFAOYSA-N -1 1 420.922 4.138 20 0 HIADMM COCCOc1cccc(CCC(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000476187353 891119607 /nfs/dbraw/zinc/11/96/07/891119607.db2.gz HQIMSNPHFPHDRU-UHFFFAOYSA-N -1 1 408.292 4.060 20 0 HIADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc2sc(N3CCCC3)nc2s1 ZINC000476367437 891275543 /nfs/dbraw/zinc/27/55/43/891275543.db2.gz DVECHGSTLOJZHI-UHFFFAOYSA-N -1 1 419.479 4.167 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(COC(C)(C)C)c3C)ccc21 ZINC000476390665 891306875 /nfs/dbraw/zinc/30/68/75/891306875.db2.gz IKABXFVEYLLNMH-UHFFFAOYSA-N -1 1 416.543 4.020 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(Br)c2C)c1 ZINC000476391013 891307148 /nfs/dbraw/zinc/30/71/48/891307148.db2.gz PYJZYMFTQWIXSO-UHFFFAOYSA-N -1 1 411.321 4.215 20 0 HIADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c(C(F)(F)F)c1 ZINC000476397127 891314152 /nfs/dbraw/zinc/31/41/52/891314152.db2.gz AGNMYKSTBUNZOK-UHFFFAOYSA-N -1 1 423.796 4.175 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000476397748 891315586 /nfs/dbraw/zinc/31/55/86/891315586.db2.gz LYESGRVDWYWSBT-UHFFFAOYSA-N -1 1 412.364 4.018 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(CSC)cc2)ccc1Br ZINC000476427525 891341589 /nfs/dbraw/zinc/34/15/89/891341589.db2.gz MDQBBIRUDTZRAM-UHFFFAOYSA-N -1 1 402.335 4.122 20 0 HIADMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)ccc1F ZINC000476433346 891345980 /nfs/dbraw/zinc/34/59/80/891345980.db2.gz MAWOPFOKPZGCKQ-UHFFFAOYSA-N -1 1 406.410 4.228 20 0 HIADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc2sc(N3CCCC3)nc2s1 ZINC000476631281 891567759 /nfs/dbraw/zinc/56/77/59/891567759.db2.gz KEUPFSMANWPOBR-UHFFFAOYSA-N -1 1 402.549 4.307 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2nc(-c3ccccc3C)cs2)c1 ZINC000476804110 891790155 /nfs/dbraw/zinc/79/01/55/891790155.db2.gz KUFXUEBGHKHBLK-UHFFFAOYSA-N -1 1 401.513 4.051 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c2ccccc12 ZINC000477219853 892153706 /nfs/dbraw/zinc/15/37/06/892153706.db2.gz HIAWZNOLLBPTNM-UHFFFAOYSA-N -1 1 410.495 4.313 20 0 HIADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)[nH]n1 ZINC000477244361 892191665 /nfs/dbraw/zinc/19/16/65/892191665.db2.gz RKCTWSIXPZNXPH-ZDUSSCGKSA-N -1 1 400.504 4.226 20 0 HIADMM CC1(C)CCC[C@@H]1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000477351691 892317726 /nfs/dbraw/zinc/31/77/26/892317726.db2.gz JXSCNUDUUQTQBQ-LJQANCHMSA-N -1 1 404.507 4.069 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cn(Cc4ccccc4)nn3)c2)c1 ZINC000477422346 892375388 /nfs/dbraw/zinc/37/53/88/892375388.db2.gz CXCCWWLEVBHJML-UHFFFAOYSA-N -1 1 404.495 4.103 20 0 HIADMM CCC1(C)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CC1 ZINC000504935516 913674279 /nfs/dbraw/zinc/67/42/79/913674279.db2.gz FPQRFPBBARXGAS-UHFFFAOYSA-N -1 1 422.497 4.418 20 0 HIADMM Cc1ccc(-c2cccnc2)cc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000477526642 892553322 /nfs/dbraw/zinc/55/33/22/892553322.db2.gz KNHVRQUWNHQXDE-UHFFFAOYSA-N -1 1 411.465 4.104 20 0 HIADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000504952992 913693105 /nfs/dbraw/zinc/69/31/05/913693105.db2.gz FGLYYWPMAPOXIT-HXUWFJFHSA-N -1 1 420.534 4.426 20 0 HIADMM CCC1(C)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)CC1 ZINC000504960371 913698472 /nfs/dbraw/zinc/69/84/72/913698472.db2.gz XEBWRZNCKKYEAV-UHFFFAOYSA-N -1 1 400.544 4.448 20 0 HIADMM Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(I)c([O-])c1 ZINC000478115244 893282238 /nfs/dbraw/zinc/28/22/38/893282238.db2.gz ZNLOBKNCYHRKTE-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccncc4)no3)cc2)c1C ZINC000505009144 913752948 /nfs/dbraw/zinc/75/29/48/913752948.db2.gz ORKXOPAJENCSNB-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000478234910 893397760 /nfs/dbraw/zinc/39/77/60/893397760.db2.gz UFAMZEBAFWHJTF-KRWDZBQOSA-N -1 1 419.529 4.036 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(CCc3ccccc3)no2)cc1 ZINC000505038999 913778708 /nfs/dbraw/zinc/77/87/08/913778708.db2.gz LJHQCGXDSPKVGH-UHFFFAOYSA-N -1 1 405.479 4.323 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]3Cc3ccccc3)cc2)cc1 ZINC000478546678 893842748 /nfs/dbraw/zinc/84/27/48/893842748.db2.gz FGRYDBYJWROBJO-JOCHJYFZSA-N -1 1 420.534 4.253 20 0 HIADMM C[C@@H](CN(C)C(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1nn[n-]n1 ZINC000478581710 893859065 /nfs/dbraw/zinc/85/90/65/893859065.db2.gz GCYLZBDLYXDRCP-SJCJKPOMSA-N -1 1 419.913 4.088 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nc(C2CCCCC2)no1 ZINC000505095787 913814116 /nfs/dbraw/zinc/81/41/16/913814116.db2.gz ZGSCYBBMRWZOKY-SNVBAGLBSA-N -1 1 404.319 4.464 20 0 HIADMM O=C(CCc1cccc(F)c1F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000505134654 913836234 /nfs/dbraw/zinc/83/62/34/913836234.db2.gz KBBVVZPUIFSXPJ-UHFFFAOYSA-N -1 1 416.449 4.337 20 0 HIADMM O=C(CCc1nc2ccccc2o1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000479008315 894276244 /nfs/dbraw/zinc/27/62/44/894276244.db2.gz FMNPBIOBGOPPGC-UHFFFAOYSA-N -1 1 421.478 4.200 20 0 HIADMM CSCCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000479058577 894317662 /nfs/dbraw/zinc/31/76/62/894317662.db2.gz SEMABXFMXGCNBT-UHFFFAOYSA-N -1 1 424.563 4.198 20 0 HIADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Br ZINC000479128721 894396549 /nfs/dbraw/zinc/39/65/49/894396549.db2.gz KGFZQTHGXGEZGQ-UHFFFAOYSA-N -1 1 420.712 4.229 20 0 HIADMM O=S(=O)([N-]c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(CC(F)(F)F)cc1 ZINC000479134254 894402554 /nfs/dbraw/zinc/40/25/54/894402554.db2.gz YKVRBCQXURTWPN-UHFFFAOYSA-N -1 1 423.338 4.487 20 0 HIADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000479139273 894408737 /nfs/dbraw/zinc/40/87/37/894408737.db2.gz SIYUYZWKFUCVCF-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000479259884 894527167 /nfs/dbraw/zinc/52/71/67/894527167.db2.gz LZKXKXRHSBLOLW-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM O=C(Nc1ccc2ncsc2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000479340930 894633852 /nfs/dbraw/zinc/63/38/52/894633852.db2.gz GJKHGDGQZOJIAM-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@H]1CCC(F)(F)C1 ZINC000479348220 894643200 /nfs/dbraw/zinc/64/32/00/894643200.db2.gz JFKPXVVENVTGID-NSHDSACASA-N -1 1 416.396 4.140 20 0 HIADMM Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479412790 894721487 /nfs/dbraw/zinc/72/14/87/894721487.db2.gz VBMBRJRDEHTFDO-UHFFFAOYSA-N -1 1 405.806 4.057 20 0 HIADMM Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)o1 ZINC000479478758 894801963 /nfs/dbraw/zinc/80/19/63/894801963.db2.gz XGNMGVNXXWWTRH-UHFFFAOYSA-N -1 1 405.389 4.017 20 0 HIADMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479492753 894812968 /nfs/dbraw/zinc/81/29/68/894812968.db2.gz SXWXDUBNOQKBDC-VWLOTQADSA-N -1 1 408.570 4.144 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cc(I)ccc2C)cc1 ZINC000479553512 894852260 /nfs/dbraw/zinc/85/22/60/894852260.db2.gz JLRJMNYSAHGBKQ-UHFFFAOYSA-N -1 1 419.309 4.122 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2N1CC1CC1 ZINC000479562833 894860103 /nfs/dbraw/zinc/86/01/03/894860103.db2.gz KIOHAHTVUUHDSI-UHFFFAOYSA-N -1 1 424.444 4.195 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(C(F)(F)F)c3)ccc21 ZINC000479564754 894861813 /nfs/dbraw/zinc/86/18/13/894861813.db2.gz RKQYQAZAMOWCOI-UHFFFAOYSA-N -1 1 418.824 4.069 20 0 HIADMM COc1ccc(NC(=O)c2ccccc2NC2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000479646254 894915604 /nfs/dbraw/zinc/91/56/04/894915604.db2.gz VTKBJCJQKOYDAJ-UHFFFAOYSA-N -1 1 417.531 4.064 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000479726175 895024020 /nfs/dbraw/zinc/02/40/20/895024020.db2.gz UIGIZYHXKXCTAX-JKSUJKDBSA-N -1 1 403.360 4.423 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2sc(N3CCCC3)nc2s1 ZINC000479728666 895027789 /nfs/dbraw/zinc/02/77/89/895027789.db2.gz IBPYUGVKPBKGAJ-UHFFFAOYSA-N -1 1 411.512 4.306 20 0 HIADMM Cc1ccc(C)c([C@@H]2CN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)[C@@H](C)CO2)c1 ZINC000480068551 895418529 /nfs/dbraw/zinc/41/85/29/895418529.db2.gz DJQFNLQWCHPQCP-KKSFZXQISA-N -1 1 404.514 4.444 20 0 HIADMM CC(C)c1[nH]ccc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000505307267 913967718 /nfs/dbraw/zinc/96/77/18/913967718.db2.gz CQJFASQAJPOMJE-UHFFFAOYSA-N -1 1 401.463 4.330 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)sc1Br ZINC000480117353 895489076 /nfs/dbraw/zinc/48/90/76/895489076.db2.gz ASALHBXQLRLXKP-UHFFFAOYSA-N -1 1 402.122 4.322 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000480196611 895595996 /nfs/dbraw/zinc/59/59/96/895595996.db2.gz KANRGTLCNMHPBT-UHFFFAOYSA-N -1 1 414.449 4.074 20 0 HIADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)o1 ZINC000480959379 896300439 /nfs/dbraw/zinc/30/04/39/896300439.db2.gz IRPSYJZGYYBTMW-CYBMUJFWSA-N -1 1 412.558 4.001 20 0 HIADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000481002279 896333098 /nfs/dbraw/zinc/33/30/98/896333098.db2.gz IGKNVMSUZXDOJI-RTBURBONSA-N -1 1 422.547 4.031 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Br)cn1 ZINC000481211486 896565570 /nfs/dbraw/zinc/56/55/70/896565570.db2.gz GZCVLQSPQSNUGL-LURJTMIESA-N -1 1 416.149 4.252 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc3c[nH]nc3cc2C)cc1 ZINC000481308956 896656362 /nfs/dbraw/zinc/65/63/62/896656362.db2.gz QXJRLMAZNUVUNT-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2SC(C)C)ccc1O ZINC000481587336 896965852 /nfs/dbraw/zinc/96/58/52/896965852.db2.gz OZIRIZFUVVPCLP-UHFFFAOYSA-N -1 1 414.936 4.305 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000481599905 896980103 /nfs/dbraw/zinc/98/01/03/896980103.db2.gz QTBMFTCSGZAJRN-UHFFFAOYSA-N -1 1 413.359 4.239 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2c(F)cccc2Oc2ccccc2)ccc1[O-] ZINC000481604922 896984818 /nfs/dbraw/zinc/98/48/18/896984818.db2.gz AKLFUHLOXLHTSW-UHFFFAOYSA-N -1 1 416.430 4.083 20 0 HIADMM COc1ccccc1-c1csc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)n1 ZINC000481637698 897022779 /nfs/dbraw/zinc/02/27/79/897022779.db2.gz FYTPSBWCLBJNAV-UHFFFAOYSA-N -1 1 404.451 4.025 20 0 HIADMM COc1ccc(CN(C)C(=O)c2ccc(Br)c([O-])c2)cc1OC(F)F ZINC000481709732 897100322 /nfs/dbraw/zinc/10/03/22/897100322.db2.gz FWWOMKVXXHGETK-UHFFFAOYSA-N -1 1 416.218 4.037 20 0 HIADMM Cc1ccccc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000481774104 897158469 /nfs/dbraw/zinc/15/84/69/897158469.db2.gz IOEBQQBYRZJQSF-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000481791808 897172900 /nfs/dbraw/zinc/17/29/00/897172900.db2.gz DKKHDPKVHTXDHP-UHFFFAOYSA-N -1 1 405.483 4.475 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1ccccc1 ZINC000481830990 897200406 /nfs/dbraw/zinc/20/04/06/897200406.db2.gz QNQHYHLJVSPLCJ-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)sc1Br ZINC000481875408 897247165 /nfs/dbraw/zinc/24/71/65/897247165.db2.gz OYVYICSSBJAGKX-UHFFFAOYSA-N -1 1 408.726 4.208 20 0 HIADMM CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Br)cn1 ZINC000481881617 897254540 /nfs/dbraw/zinc/25/45/40/897254540.db2.gz JHTBCYFVLTZONE-UHFFFAOYSA-N -1 1 412.231 4.046 20 0 HIADMM Cc1nc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(Cl)cc1Cl ZINC000481988208 897384513 /nfs/dbraw/zinc/38/45/13/897384513.db2.gz LESQUTIQERGLCR-UHFFFAOYSA-N -1 1 408.266 4.217 20 0 HIADMM CCS[C@@H]1CCC[C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000482229407 897709084 /nfs/dbraw/zinc/70/90/84/897709084.db2.gz NOPOFYLRNVPRMI-PKOBYXMFSA-N -1 1 418.584 4.282 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1)c1cccc(C)c1 ZINC000505513011 914202154 /nfs/dbraw/zinc/20/21/54/914202154.db2.gz DTQAIRXVGSDMIC-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM COc1ccc(Br)c(C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000482576094 898172367 /nfs/dbraw/zinc/17/23/67/898172367.db2.gz MEBDNWQFRMKPGJ-UHFFFAOYSA-N -1 1 415.081 4.487 20 0 HIADMM COc1cc(Cl)c(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1OC ZINC000482584659 898182778 /nfs/dbraw/zinc/18/27/78/898182778.db2.gz WIALOJPMPAZYME-UHFFFAOYSA-N -1 1 400.656 4.386 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000482601540 898203486 /nfs/dbraw/zinc/20/34/86/898203486.db2.gz JEIFPTZGEHGLML-UHFFFAOYSA-N -1 1 404.264 4.006 20 0 HIADMM CCOC(=O)c1c(C(C)C)csc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000482726404 898327206 /nfs/dbraw/zinc/32/72/06/898327206.db2.gz YIKDSOSOFKAFQT-UHFFFAOYSA-N -1 1 423.560 4.145 20 0 HIADMM CC[C@@H](C)n1ncc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000482786912 898395830 /nfs/dbraw/zinc/39/58/30/898395830.db2.gz GWMDASOGVFKDMV-OAHLLOKOSA-N -1 1 412.515 4.216 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)=C(C)C3)cc2)cc1 ZINC000482875741 898488537 /nfs/dbraw/zinc/48/85/37/898488537.db2.gz SHEWQGJUCDAWNM-UHFFFAOYSA-N -1 1 414.527 4.068 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)=C(C)C3)cc2)ccc1F ZINC000482878532 898491981 /nfs/dbraw/zinc/49/19/81/898491981.db2.gz UPTCWLPLRBDDOK-UHFFFAOYSA-N -1 1 402.491 4.117 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCSCC[C@@H]3C)ccc2C)c1 ZINC000482942811 898566826 /nfs/dbraw/zinc/56/68/26/898566826.db2.gz CFKSIAXLQMWWCI-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCSCC[C@@H]3C)cc2)c1 ZINC000482970848 898603854 /nfs/dbraw/zinc/60/38/54/898603854.db2.gz LXCUSBZUDZWNBA-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC[C@H](C)C2)c1 ZINC000483711492 899367860 /nfs/dbraw/zinc/36/78/60/899367860.db2.gz OHMOORIQQDLOMQ-HNNXBMFYSA-N -1 1 404.507 4.197 20 0 HIADMM O=C(NCc1ccccc1OCC(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000484330849 899884082 /nfs/dbraw/zinc/88/40/82/899884082.db2.gz FFGPSUUPVOVBGN-UHFFFAOYSA-N -1 1 404.182 4.026 20 0 HIADMM CCc1cc(O)ccc1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000484346523 899895596 /nfs/dbraw/zinc/89/55/96/899895596.db2.gz CVDJWFSNCUDMAL-UHFFFAOYSA-N -1 1 411.483 4.399 20 0 HIADMM COc1cc([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)ccc1OC(C)C ZINC000484453253 899953291 /nfs/dbraw/zinc/95/32/91/899953291.db2.gz CPCSAJGTYIHTFN-LBPRGKRZSA-N -1 1 408.292 4.442 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Sc2nnc(C)s2)cc1C ZINC000484484597 899975541 /nfs/dbraw/zinc/97/55/41/899975541.db2.gz GZFYRMDLWIJHBY-UHFFFAOYSA-N -1 1 421.569 4.253 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000484612453 900069522 /nfs/dbraw/zinc/06/95/22/900069522.db2.gz DTIOCZNBPZYESM-SFTDATJTSA-N -1 1 417.527 4.008 20 0 HIADMM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000484740824 900163910 /nfs/dbraw/zinc/16/39/10/900163910.db2.gz VOOODAXEHVZYAS-HNNXBMFYSA-N -1 1 402.210 4.448 20 0 HIADMM NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)s1 ZINC000484771852 900184766 /nfs/dbraw/zinc/18/47/66/900184766.db2.gz SFDRLLFQDIOMDZ-UHFFFAOYSA-N -1 1 400.894 4.051 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000505744613 914422509 /nfs/dbraw/zinc/42/25/09/914422509.db2.gz RROCONCOPMQJPF-PSLXWICFSA-N -1 1 422.916 4.190 20 0 HIADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(F)cc2)c1 ZINC000484992851 900347282 /nfs/dbraw/zinc/34/72/82/900347282.db2.gz LRRLQMKANWAMEE-UHFFFAOYSA-N -1 1 416.449 4.134 20 0 HIADMM O=S(=O)([N-]c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000485041437 900378619 /nfs/dbraw/zinc/37/86/19/900378619.db2.gz HJNXRBZWLLTXBK-HNNXBMFYSA-N -1 1 419.396 4.203 20 0 HIADMM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000485072554 900393201 /nfs/dbraw/zinc/39/32/01/900393201.db2.gz KJIIQHXPSJQFGK-UHFFFAOYSA-N -1 1 420.339 4.200 20 0 HIADMM CC(=O)Nc1ccc(C)c(NC(=O)c2c([O-])cnc3c(Br)cccc32)c1 ZINC000485830143 901076427 /nfs/dbraw/zinc/07/64/27/901076427.db2.gz MYPZLVPDZKEVES-UHFFFAOYSA-N -1 1 414.259 4.222 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1(c2cccnc2)CCCC1 ZINC000485832979 901079133 /nfs/dbraw/zinc/07/91/33/901079133.db2.gz SISHZJXHJBZUOH-UHFFFAOYSA-N -1 1 421.522 4.333 20 0 HIADMM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc(Br)c([O-])c1 ZINC000485967756 901184179 /nfs/dbraw/zinc/18/41/79/901184179.db2.gz QAAQEESVYVEFNK-UHFFFAOYSA-N -1 1 417.234 4.411 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccccc1Br ZINC000485997574 901215217 /nfs/dbraw/zinc/21/52/17/901215217.db2.gz ALVMOEXEPXHYEM-ZDUSSCGKSA-N -1 1 412.202 4.170 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cc(Br)c2)cc1Cl ZINC000486103382 901290610 /nfs/dbraw/zinc/29/06/10/901290610.db2.gz UTBRTBXSQWZGEM-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)N(C)C1CCCCC1 ZINC000486251189 901434582 /nfs/dbraw/zinc/43/45/82/901434582.db2.gz NFWBHKPANCPAQZ-UHFFFAOYSA-N -1 1 415.559 4.304 20 0 HIADMM COC(C)(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000486377560 901543124 /nfs/dbraw/zinc/54/31/24/901543124.db2.gz OYKMGWQTBVJYRX-UHFFFAOYSA-N -1 1 410.923 4.203 20 0 HIADMM COC(C)(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000486384601 901549035 /nfs/dbraw/zinc/54/90/35/901549035.db2.gz ZTONDDXAVGUHQE-UHFFFAOYSA-N -1 1 410.923 4.203 20 0 HIADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000486559500 901705308 /nfs/dbraw/zinc/70/53/08/901705308.db2.gz SFJZFVRQWNGYLF-UHFFFAOYSA-N -1 1 403.847 4.286 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(Br)c1F)c1ccccc1OC(F)F ZINC000486564942 901710254 /nfs/dbraw/zinc/71/02/54/901710254.db2.gz VUIRQCVQYFOOTG-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486696136 901800067 /nfs/dbraw/zinc/80/00/67/901800067.db2.gz BZYMIXDQGXKMEV-LBPRGKRZSA-N -1 1 415.287 4.112 20 0 HIADMM CCC(CC)N(CCOC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000486700312 901801435 /nfs/dbraw/zinc/80/14/35/901801435.db2.gz NHWNTZKFNAFSRE-UHFFFAOYSA-N -1 1 418.559 4.073 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccc(F)cc1I ZINC000486965426 901991989 /nfs/dbraw/zinc/99/19/89/901991989.db2.gz JSDYSCOUWJAKFH-UHFFFAOYSA-N -1 1 406.582 4.433 20 0 HIADMM CCCC[C@@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(OC)cc1 ZINC000487647693 902273124 /nfs/dbraw/zinc/27/31/24/902273124.db2.gz HFQIJYDKYRHUJF-HXUWFJFHSA-N -1 1 410.518 4.041 20 0 HIADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1nc(-c2ccncc2)cs1 ZINC000488129264 902626687 /nfs/dbraw/zinc/62/66/87/902626687.db2.gz YJGQIHHTPVYWIF-SNVBAGLBSA-N -1 1 404.289 4.164 20 0 HIADMM CCCNc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000488174306 902663956 /nfs/dbraw/zinc/66/39/56/902663956.db2.gz GAARELIUVZHOJU-UHFFFAOYSA-N -1 1 413.927 4.084 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(CC(=O)N(C)c2ccccc2)cc1 ZINC000488287094 902749616 /nfs/dbraw/zinc/74/96/16/902749616.db2.gz QJEJEBLJYONYNF-UHFFFAOYSA-N -1 1 408.523 4.255 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000488969781 903101114 /nfs/dbraw/zinc/10/11/14/903101114.db2.gz DPMIFOBJOLOLCC-INIZCTEOSA-N -1 1 408.470 4.104 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@@H](C)C2CCCC2)c1 ZINC000506012396 914687204 /nfs/dbraw/zinc/68/72/04/914687204.db2.gz KBIUXYNNLBUZBE-HNNXBMFYSA-N -1 1 404.507 4.243 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1Br ZINC000489701223 903548031 /nfs/dbraw/zinc/54/80/31/903548031.db2.gz DXABFGIZUZEQRT-UHFFFAOYSA-N -1 1 424.320 4.189 20 0 HIADMM CCN(Cc1ccccn1)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000490135503 903784253 /nfs/dbraw/zinc/78/42/53/903784253.db2.gz IEBIXQRDRRKVAD-UHFFFAOYSA-N -1 1 423.538 4.162 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc([C@@H]4C[C@H]4C)[nH]n3)c2)c1 ZINC000490255653 903856839 /nfs/dbraw/zinc/85/68/39/903856839.db2.gz VTRIIMLAOSEOHI-CRAIPNDOSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([C@H]4C[C@H]4C)[nH]n3)ccc2C)c1 ZINC000490258367 903857553 /nfs/dbraw/zinc/85/75/53/903857553.db2.gz LYYCYTQOIZDUCA-QAPCUYQASA-N -1 1 424.526 4.203 20 0 HIADMM CC(C)c1nc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)nn1-c1ccccc1F ZINC000490315557 903896516 /nfs/dbraw/zinc/89/65/16/903896516.db2.gz MBWAAMMYOKCGCG-KTKRTIGZSA-N -1 1 424.461 4.397 20 0 HIADMM COc1cccc(C=C2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)c1 ZINC000490561112 904100408 /nfs/dbraw/zinc/10/04/08/904100408.db2.gz CYSNYOXMXJWBKH-UHFFFAOYSA-N -1 1 402.288 4.483 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000490926485 904320734 /nfs/dbraw/zinc/32/07/34/904320734.db2.gz JXCDFXIBDGJPOM-UHFFFAOYSA-N -1 1 416.525 4.014 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1OC ZINC000491594679 904666067 /nfs/dbraw/zinc/66/60/67/904666067.db2.gz SKBWMFSVVSMLJT-UHFFFAOYSA-N -1 1 409.467 4.048 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)cc1 ZINC000491610583 904676171 /nfs/dbraw/zinc/67/61/71/904676171.db2.gz RZHWWZGWHWSZBC-UHFFFAOYSA-N -1 1 419.305 4.415 20 0 HIADMM Cc1nc(-c2ccc(N(C)Cc3ccc(Br)c(F)c3)nc2)[n-]c(=O)c1C ZINC000491613257 904676450 /nfs/dbraw/zinc/67/64/50/904676450.db2.gz POWLIXVFJCTFEU-UHFFFAOYSA-N -1 1 417.282 4.399 20 0 HIADMM CC1(C)C[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000492513533 904861488 /nfs/dbraw/zinc/86/14/88/904861488.db2.gz WMXPDRODKCMPPA-INIZCTEOSA-N -1 1 413.326 4.323 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCc4occc43)c2)cc1 ZINC000493381391 905100203 /nfs/dbraw/zinc/10/02/03/905100203.db2.gz BBBJAGRYEKPKIA-HXUWFJFHSA-N -1 1 410.495 4.196 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(F)(F)F)cc1Cl ZINC000512459642 921175933 /nfs/dbraw/zinc/17/59/33/921175933.db2.gz JHQFOELMPHAARR-INIZCTEOSA-N -1 1 420.840 4.189 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(C)c(Br)c(C)c2)c(=O)[n-]1 ZINC000494862285 906046633 /nfs/dbraw/zinc/04/66/33/906046633.db2.gz XPXBVAHRGAKBEO-UHFFFAOYSA-N -1 1 410.337 4.163 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC2(c3cccc(F)c3F)CCCC2)c(=O)[n-]1 ZINC000495134291 906262145 /nfs/dbraw/zinc/26/21/45/906262145.db2.gz BSZBGRPUHCSOJJ-UHFFFAOYSA-N -1 1 421.513 4.052 20 0 HIADMM Cc1nc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cs1 ZINC000495456736 906462940 /nfs/dbraw/zinc/46/29/40/906462940.db2.gz IOAOCPJKWBQEPX-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000512573721 921245059 /nfs/dbraw/zinc/24/50/59/921245059.db2.gz NXRTTWSRWRLSPI-UHFFFAOYSA-N -1 1 423.476 4.197 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CCSCC1 ZINC000496032013 906602560 /nfs/dbraw/zinc/60/25/60/906602560.db2.gz GSOKEOXPIYHJMT-UHFFFAOYSA-N -1 1 410.948 4.223 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCc3ccccc3[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000512685551 921286442 /nfs/dbraw/zinc/28/64/42/921286442.db2.gz QEPWSQOBUPNGSM-JOCHJYFZSA-N -1 1 419.550 4.319 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c(=O)[n-]1 ZINC000512763129 921303416 /nfs/dbraw/zinc/30/34/16/921303416.db2.gz YUQAWTFBBSHSHY-UHFFFAOYSA-N -1 1 412.490 4.293 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4[nH]ccc4c3)c2)cc1 ZINC000497835916 907316728 /nfs/dbraw/zinc/31/67/28/907316728.db2.gz AQCVDBNYWNMNHA-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM CC(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000497911792 907381885 /nfs/dbraw/zinc/38/18/85/907381885.db2.gz CZYZWKMSSZZEQE-UHFFFAOYSA-N -1 1 422.355 4.117 20 0 HIADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498209724 907740342 /nfs/dbraw/zinc/74/03/42/907740342.db2.gz JDVYDOXUSZDTLD-OXQOHEQNSA-N -1 1 402.516 4.021 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H]1CCc2ccccc21 ZINC000498213605 907743814 /nfs/dbraw/zinc/74/38/14/907743814.db2.gz GJODRAWUIGKGDX-NRFANRHFSA-N -1 1 407.495 4.296 20 0 HIADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000498212064 907744150 /nfs/dbraw/zinc/74/41/50/907744150.db2.gz WVKPCZROUPJSRB-FOIQADDNSA-N -1 1 420.506 4.160 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCc2sccc2C1 ZINC000498221537 907750675 /nfs/dbraw/zinc/75/06/75/907750675.db2.gz ZCFYHYUPQYVBAQ-UHFFFAOYSA-N -1 1 413.524 4.139 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(F)c3)cc2)ccc1F ZINC000498274826 907811322 /nfs/dbraw/zinc/81/13/22/907811322.db2.gz JSJQNOZQRAOPBJ-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2cccc(F)c2)cc1 ZINC000498279537 907814885 /nfs/dbraw/zinc/81/48/85/907814885.db2.gz ZVLVJGLBQNHGPV-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@@H](c1ccccc1)C1CC1 ZINC000498290537 907821506 /nfs/dbraw/zinc/82/15/06/907821506.db2.gz JMMUZRDTAWYBRC-QHCPKHFHSA-N -1 1 420.534 4.297 20 0 HIADMM Cc1cc(C)cc(-c2nnc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)s2)c1 ZINC000498348387 907851576 /nfs/dbraw/zinc/85/15/76/907851576.db2.gz NJTVOTUMLPBWOL-UHFFFAOYSA-N -1 1 403.467 4.028 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1Oc1ccc(C)nn1 ZINC000498483118 907952746 /nfs/dbraw/zinc/95/27/46/907952746.db2.gz HJMSAJQYVIWARZ-UHFFFAOYSA-N -1 1 419.890 4.349 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1Oc1ccc(C)nn1 ZINC000498486184 907958476 /nfs/dbraw/zinc/95/84/76/907958476.db2.gz XYNUFAAMZVKWPW-UHFFFAOYSA-N -1 1 405.501 4.065 20 0 HIADMM CC(C)(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000498490391 907963237 /nfs/dbraw/zinc/96/32/37/907963237.db2.gz PCLYKCQBFVCTMH-UHFFFAOYSA-N -1 1 401.843 4.155 20 0 HIADMM CCCN(CC(F)F)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000498739336 908168060 /nfs/dbraw/zinc/16/80/60/908168060.db2.gz IGWJNIVGAWLGNW-UHFFFAOYSA-N -1 1 414.449 4.052 20 0 HIADMM CCN(CC(F)(F)F)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000498754409 908178167 /nfs/dbraw/zinc/17/81/67/908178167.db2.gz RUFXOHZNMYJWRB-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)c([O-])c1 ZINC000499097296 908458448 /nfs/dbraw/zinc/45/84/48/908458448.db2.gz OZJQVIOJDLBFEO-GOSISDBHSA-N -1 1 401.235 4.208 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000499202650 908556594 /nfs/dbraw/zinc/55/65/94/908556594.db2.gz NLGFRPCGLLFSIK-LBPRGKRZSA-N -1 1 413.465 4.384 20 0 HIADMM Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000499204736 908558330 /nfs/dbraw/zinc/55/83/30/908558330.db2.gz VSWWLMKQRIGZDI-UHFFFAOYSA-N -1 1 419.359 4.120 20 0 HIADMM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1O ZINC000499624346 908859315 /nfs/dbraw/zinc/85/93/15/908859315.db2.gz FNWTZZUVMMSKFQ-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000499896874 909021639 /nfs/dbraw/zinc/02/16/39/909021639.db2.gz UGWVYRVRZBEOJL-ZDUSSCGKSA-N -1 1 423.738 4.373 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000499908436 909025598 /nfs/dbraw/zinc/02/55/98/909025598.db2.gz GTFRLUQPTNCCQY-RUZDIDTESA-N -1 1 416.525 4.066 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(F)c1F ZINC000500154371 909634009 /nfs/dbraw/zinc/63/40/09/909634009.db2.gz MKCUXOQCZMSRTF-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM CCc1cccnc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000500719505 910037649 /nfs/dbraw/zinc/03/76/49/910037649.db2.gz HZRXCWGTOSPPIX-UHFFFAOYSA-N -1 1 409.511 4.314 20 0 HIADMM CN(Cc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000501710392 910778771 /nfs/dbraw/zinc/77/87/71/910778771.db2.gz OIXXVZCCDAIMOA-UHFFFAOYSA-N -1 1 413.474 4.290 20 0 HIADMM O=C(CSc1cccc(Br)c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000501764440 910819144 /nfs/dbraw/zinc/81/91/44/910819144.db2.gz HIIARJZMNLHHLX-UHFFFAOYSA-N -1 1 404.289 4.276 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OC[C@@H]2CCCO2)c(C)c1 ZINC000501798804 910850854 /nfs/dbraw/zinc/85/08/54/910850854.db2.gz QYJXGARLEQRUPZ-SFHVURJKSA-N -1 1 405.516 4.061 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 ZINC000501884066 910902822 /nfs/dbraw/zinc/90/28/22/910902822.db2.gz VSOVRUCNSHYLHS-CQSZACIVSA-N -1 1 404.319 4.071 20 0 HIADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000502045437 910998882 /nfs/dbraw/zinc/99/88/82/910998882.db2.gz KFLGKKMUFMVODC-OAHLLOKOSA-N -1 1 408.470 4.043 20 0 HIADMM COc1cc(C)cc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000502066190 911013175 /nfs/dbraw/zinc/01/31/75/911013175.db2.gz IFTWVUFFOPRNNO-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1)c1c(Cl)cc(F)cc1Br ZINC000502428025 911408176 /nfs/dbraw/zinc/40/81/76/911408176.db2.gz RMFUYVUKKPSJQS-FZMZJTMJSA-N -1 1 404.688 4.076 20 0 HIADMM COC(=O)c1ccc(-c2csc([N-]c3ncnc4oc(C)c(C(C)=O)c43)n2)cc1 ZINC000502687465 911727789 /nfs/dbraw/zinc/72/77/89/911727789.db2.gz ZVCCKBXZUOQTCE-UHFFFAOYSA-N -1 1 408.439 4.388 20 0 HIADMM C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000502780534 911803379 /nfs/dbraw/zinc/80/33/79/911803379.db2.gz FMZNRTJTSAXDDG-UWVAXJGDSA-N -1 1 415.559 4.111 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1)c1ccncc1 ZINC000502797917 911819446 /nfs/dbraw/zinc/81/94/46/911819446.db2.gz XPOHCQQFSMTAHP-UHFFFAOYSA-N -1 1 403.410 4.072 20 0 HIADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000502810992 911827909 /nfs/dbraw/zinc/82/79/09/911827909.db2.gz NUFFEJGMVOMGPW-UHFFFAOYSA-N -1 1 413.524 4.247 20 0 HIADMM COc1c2ccccc2[nH]c1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000506467899 915064291 /nfs/dbraw/zinc/06/42/91/915064291.db2.gz UFOWDYVFIKIDCQ-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM CC(C)C[C@H](C)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000506662307 915336384 /nfs/dbraw/zinc/33/63/84/915336384.db2.gz HXNKPZZCMAPWGX-KRWDZBQOSA-N -1 1 403.548 4.063 20 0 HIADMM O=C1CCCN1Cc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000506728139 915409110 /nfs/dbraw/zinc/40/91/10/915409110.db2.gz WOPPDEQEYHHKGF-UHFFFAOYSA-N -1 1 406.507 4.277 20 0 HIADMM CCc1c([N-]S(=O)(=O)c2ccsc2)n[nH]c1-c1ccc(Br)cc1 ZINC000506821629 915584436 /nfs/dbraw/zinc/58/44/36/915584436.db2.gz PMEHVXZHYRCRHR-UHFFFAOYSA-N -1 1 412.334 4.264 20 0 HIADMM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1cc(Cl)sc1Cl ZINC000507014061 915821863 /nfs/dbraw/zinc/82/18/63/915821863.db2.gz UDHKRXNIMYJHIT-UHFFFAOYSA-N -1 1 420.261 4.475 20 0 HIADMM COc1ccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCCO5)cc3[n-]2)cc1C ZINC000513433435 921802647 /nfs/dbraw/zinc/80/26/47/921802647.db2.gz HHCQOYSCKDNZRZ-UHFFFAOYSA-N -1 1 406.463 4.407 20 0 HIADMM O=S(=O)([N-][C@@H](c1nccs1)c1ccccc1)c1sccc1Br ZINC000507525853 916285726 /nfs/dbraw/zinc/28/57/26/916285726.db2.gz DDXAYHDWFIOZRR-GFCCVEGCSA-N -1 1 415.359 4.035 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccn2)c1 ZINC000508038937 916867808 /nfs/dbraw/zinc/86/78/08/916867808.db2.gz WNSUMMYHEQHOIK-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c2ccccc2n1C ZINC000508075061 916896640 /nfs/dbraw/zinc/89/66/40/916896640.db2.gz VNUPMSWWWWLDCU-UHFFFAOYSA-N -1 1 414.712 4.098 20 0 HIADMM O=S(=O)([N-]C1(C(F)F)CCCCC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000508104782 916920397 /nfs/dbraw/zinc/92/03/97/916920397.db2.gz UZOZHHCAGCGTRL-ZDUSSCGKSA-N -1 1 423.909 4.002 20 0 HIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1 ZINC000508111027 916927903 /nfs/dbraw/zinc/92/79/03/916927903.db2.gz HKAYSSUZVXTGEK-UHFFFAOYSA-N -1 1 412.696 4.155 20 0 HIADMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000508119936 916935647 /nfs/dbraw/zinc/93/56/47/916935647.db2.gz SGPLRWDCIGYYAU-GFCCVEGCSA-N -1 1 411.898 4.000 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCc4cc(F)ccc43)c2)c1 ZINC000508203527 917021802 /nfs/dbraw/zinc/02/18/02/917021802.db2.gz IJVBOGAAZROPMT-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM CC1(C)CC[C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000508451388 917236140 /nfs/dbraw/zinc/23/61/40/917236140.db2.gz KESYNPWERMTDTG-HNNXBMFYSA-N -1 1 408.470 4.074 20 0 HIADMM CCC[C@@H]1C[C@@H](C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000508611123 917381365 /nfs/dbraw/zinc/38/13/65/917381365.db2.gz ASBRUTXZJCUBDN-DOTOQJQBSA-N -1 1 420.506 4.160 20 0 HIADMM COc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000508915328 917671840 /nfs/dbraw/zinc/67/18/40/917671840.db2.gz MJNCIZJYNFDCNZ-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)c1 ZINC000509063138 917810240 /nfs/dbraw/zinc/81/02/40/917810240.db2.gz DRXGRHYRYYPLGT-UHFFFAOYSA-N -1 1 404.557 4.272 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(Sc3ncccn3)cc2C)c1 ZINC000509067362 917814252 /nfs/dbraw/zinc/81/42/52/917814252.db2.gz OTYZUZJYKJPFQR-UHFFFAOYSA-N -1 1 403.554 4.459 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1 ZINC000509103600 917842781 /nfs/dbraw/zinc/84/27/81/917842781.db2.gz PBYNCBHWMBDMHV-UHFFFAOYSA-N -1 1 400.422 4.472 20 0 HIADMM O=C(c1ccccc1SCc1cccs1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509261468 917950052 /nfs/dbraw/zinc/95/00/52/917950052.db2.gz CDUHGUIPLXZOGS-UHFFFAOYSA-N -1 1 401.513 4.149 20 0 HIADMM Cc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1C ZINC000509343106 918007935 /nfs/dbraw/zinc/00/79/35/918007935.db2.gz JNEGNVSQRLEHDE-QFIPXVFZSA-N -1 1 416.525 4.466 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1ccccc1)CC1CCC1 ZINC000509341699 918008019 /nfs/dbraw/zinc/00/80/19/918008019.db2.gz FMMWZPREEIALSL-UHFFFAOYSA-N -1 1 416.525 4.314 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1nc(C)cs1 ZINC000509352525 918017004 /nfs/dbraw/zinc/01/70/04/918017004.db2.gz ZOWPSJJHZJPKEG-NSHDSACASA-N -1 1 409.758 4.297 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)C1 ZINC000509368411 918034550 /nfs/dbraw/zinc/03/45/50/918034550.db2.gz GCYAEFTYOIQGMI-MRXNPFEDSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000509397068 918064205 /nfs/dbraw/zinc/06/42/05/918064205.db2.gz QHJOZHWGWWMOCT-UHFFFAOYSA-N -1 1 421.522 4.056 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C(C)C)ccc2Cl)s1 ZINC000509565820 918215780 /nfs/dbraw/zinc/21/57/80/918215780.db2.gz BIDHTVCIJALDNZ-UHFFFAOYSA-N -1 1 400.953 4.245 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(Cl)c2)cc1 ZINC000509567644 918217225 /nfs/dbraw/zinc/21/72/25/918217225.db2.gz JTJWMOKUNDJFFR-UHFFFAOYSA-N -1 1 403.287 4.151 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(Cl)c2)cc1OC ZINC000509577012 918226067 /nfs/dbraw/zinc/22/60/67/918226067.db2.gz JJATXGBZZRTXJF-UHFFFAOYSA-N -1 1 406.287 4.128 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000509883504 918486198 /nfs/dbraw/zinc/48/61/98/918486198.db2.gz GTJRRZRIKZPHCA-LJQANCHMSA-N -1 1 415.559 4.208 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccccc3Cn3cncn3)cc2)c1 ZINC000511153440 919774483 /nfs/dbraw/zinc/77/44/83/919774483.db2.gz GNWHZEVFAKOGFY-UHFFFAOYSA-N -1 1 420.494 4.228 20 0 HIADMM Cc1ccc(C(=O)N(C)c2cccnc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000511182486 919803414 /nfs/dbraw/zinc/80/34/14/919803414.db2.gz KGOGZHOIMRFKAU-UHFFFAOYSA-N -1 1 415.902 4.121 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)c2ccccc12 ZINC000511182596 919803495 /nfs/dbraw/zinc/80/34/95/919803495.db2.gz AGVHQUPPWJEAHT-UHFFFAOYSA-N -1 1 411.458 4.364 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000511635613 920297521 /nfs/dbraw/zinc/29/75/21/920297521.db2.gz HTQGBIVZAMWZNK-UHFFFAOYSA-N -1 1 414.509 4.329 20 0 HIADMM COc1ccccc1Oc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1F ZINC000511696226 920362116 /nfs/dbraw/zinc/36/21/16/920362116.db2.gz VOXZAEUOIJVPHA-UHFFFAOYSA-N -1 1 423.443 4.187 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC[C@H]3C)cc2)cc1 ZINC000511808537 920505039 /nfs/dbraw/zinc/50/50/39/920505039.db2.gz PSJFDTIVHJTLSR-QGZVFWFLSA-N -1 1 416.543 4.291 20 0 HIADMM CC(C)(CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccs1 ZINC000511842338 920558529 /nfs/dbraw/zinc/55/85/29/920558529.db2.gz FKJVRCBIWNOTIC-UHFFFAOYSA-N -1 1 414.552 4.257 20 0 HIADMM Cc1c2ccc3ccccc3c2oc1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000511898078 920633987 /nfs/dbraw/zinc/63/39/87/920633987.db2.gz WOQFLFBIDIRKEO-UHFFFAOYSA-N -1 1 400.438 4.190 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)[C@@H](C)CC)cc2)cc1 ZINC000512131095 920879352 /nfs/dbraw/zinc/87/93/52/920879352.db2.gz NUCAQWQLGDSKEB-HOTGVXAUSA-N -1 1 404.532 4.051 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)[C@H](C)CC)c2)cc1 ZINC000512146299 920888970 /nfs/dbraw/zinc/88/89/70/920888970.db2.gz OWWDJOOCIUPPOS-CVEARBPZSA-N -1 1 404.532 4.051 20 0 HIADMM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1OC ZINC000512180360 920920066 /nfs/dbraw/zinc/92/00/66/920920066.db2.gz KSMSEWYBNGLLOV-SSDOTTSWSA-N -1 1 414.307 4.251 20 0 HIADMM COc1ccc(Br)cc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000514529983 922679018 /nfs/dbraw/zinc/67/90/18/922679018.db2.gz QSUDXIVLMKXDPP-UHFFFAOYSA-N -1 1 411.321 4.127 20 0 HIADMM O=c1nc(CSc2nc(-c3ccccc3Br)n[nH]2)[n-]c2ccsc21 ZINC000514590701 922719162 /nfs/dbraw/zinc/71/91/62/922719162.db2.gz WHCBLRLCHGJBSI-UHFFFAOYSA-N -1 1 420.317 4.237 20 0 HIADMM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)s1 ZINC000515574097 923190695 /nfs/dbraw/zinc/19/06/95/923190695.db2.gz HMBVZFQUFHPBTE-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000515588292 923200983 /nfs/dbraw/zinc/20/09/83/923200983.db2.gz LGRRBSCQBIBCRM-UHFFFAOYSA-N -1 1 422.794 4.406 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2COCc2ccccc2)cc1OC ZINC000515634153 923234321 /nfs/dbraw/zinc/23/43/21/923234321.db2.gz VMEZCKKOJLSQJP-UHFFFAOYSA-N -1 1 413.495 4.221 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1OC1CCCC1)c1sccc1Br ZINC000515762733 923334278 /nfs/dbraw/zinc/33/42/78/923334278.db2.gz NPPVSCPNGWPAJW-UHFFFAOYSA-N -1 1 416.362 4.311 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1F ZINC000515844966 923390115 /nfs/dbraw/zinc/39/01/15/923390115.db2.gz SAKCNYHUULIENN-UHFFFAOYSA-N -1 1 408.838 4.434 20 0 HIADMM Cc1ccc(NC(=O)c2cc(-c3ccoc3)[nH]n2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000516498252 923760461 /nfs/dbraw/zinc/76/04/61/923760461.db2.gz VDYPJCWWWIRVET-UHFFFAOYSA-N -1 1 422.466 4.031 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc(F)c(F)c1 ZINC000516626359 923822210 /nfs/dbraw/zinc/82/22/10/923822210.db2.gz USAGCYAUNUFIIG-UHFFFAOYSA-N -1 1 420.412 4.181 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000517879815 926872687 /nfs/dbraw/zinc/87/26/87/926872687.db2.gz OWUFXLRXPHVIPK-HNNXBMFYSA-N -1 1 416.481 4.264 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000517990559 926933874 /nfs/dbraw/zinc/93/38/74/926933874.db2.gz CMEJEPUTHJYWSC-UHFFFAOYSA-N -1 1 418.849 4.345 20 0 HIADMM CC[C@H](c1nnc([N-]C(=O)c2nc(SC)ncc2Cl)s1)c1ccccc1 ZINC000518047240 926983706 /nfs/dbraw/zinc/98/37/06/926983706.db2.gz JPKLATWEMDBFLD-NSHDSACASA-N -1 1 405.936 4.498 20 0 HIADMM O=C(NC[C@@H]1CCc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000518438159 927272047 /nfs/dbraw/zinc/27/20/47/927272047.db2.gz MSRCBBXRJQIZTP-SFHVURJKSA-N -1 1 424.497 4.086 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccsc2)n1)c1n[n-]c(CCC2CCCC2)n1 ZINC000518670721 927419196 /nfs/dbraw/zinc/41/91/96/927419196.db2.gz HJLBRJKSLOZQDF-UHFFFAOYSA-N -1 1 408.574 4.086 20 0 HIADMM Cc1csc(N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000518847798 927550811 /nfs/dbraw/zinc/55/08/11/927550811.db2.gz DVCMUQGSYYPFHF-UHFFFAOYSA-N -1 1 415.540 4.146 20 0 HIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(F)c(F)c1 ZINC000518858257 927564346 /nfs/dbraw/zinc/56/43/46/927564346.db2.gz KIHYOLNDJZOBGK-UHFFFAOYSA-N -1 1 406.376 4.385 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccc2c(c1)COC2 ZINC000518916579 927624312 /nfs/dbraw/zinc/62/43/12/927624312.db2.gz HOZMIEAZBUURNM-UHFFFAOYSA-N -1 1 410.426 4.465 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000518976785 927670524 /nfs/dbraw/zinc/67/05/24/927670524.db2.gz MGPYXHNBFAJDGE-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000519126316 927793465 /nfs/dbraw/zinc/79/34/65/927793465.db2.gz ZJDJJTVCBBKZTJ-POZUXBRTSA-N -1 1 404.304 4.236 20 0 HIADMM Cc1cc2c[nH]nc2cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000519143155 927803048 /nfs/dbraw/zinc/80/30/48/927803048.db2.gz GEEJDTVBKOOTLQ-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1cccc2c1CC[C@H]2NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000519161697 927806984 /nfs/dbraw/zinc/80/69/84/927806984.db2.gz YSBDISOUWHTIOP-DHIUTWEWSA-N -1 1 414.505 4.262 20 0 HIADMM C[C@@H]1CN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000519188130 927817987 /nfs/dbraw/zinc/81/79/87/927817987.db2.gz DFROMYBLVSMSGO-QGZVFWFLSA-N -1 1 421.522 4.321 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccccn2)cc1 ZINC000519349881 927893762 /nfs/dbraw/zinc/89/37/62/927893762.db2.gz RXNIBGGUKDDTSW-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1C(=O)NC(C)C ZINC000519454651 927961521 /nfs/dbraw/zinc/96/15/21/927961521.db2.gz QCINWYICNUXIAZ-UHFFFAOYSA-N -1 1 418.412 4.092 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000519515086 928005118 /nfs/dbraw/zinc/00/51/18/928005118.db2.gz JARZMDLYPZWJDA-UHFFFAOYSA-N -1 1 418.497 4.445 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(CC(C)(C)C)nc3c2)cc1 ZINC000519516586 928006859 /nfs/dbraw/zinc/00/68/59/928006859.db2.gz SBGBIWMQQZUGIN-UHFFFAOYSA-N -1 1 418.515 4.242 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3F)cc2)cc1 ZINC000519814663 928083719 /nfs/dbraw/zinc/08/37/19/928083719.db2.gz KBOHJGXEWHQXQU-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1cccc(CN(CC(C)C)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000519887376 928119300 /nfs/dbraw/zinc/11/93/00/928119300.db2.gz KWJSYRLENSOJLZ-UHFFFAOYSA-N -1 1 404.514 4.088 20 0 HIADMM CCC(=O)Nc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000520027449 928249109 /nfs/dbraw/zinc/24/91/09/928249109.db2.gz TWVCIDMCVLKXQQ-UHFFFAOYSA-N -1 1 423.494 4.088 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)c3ccncc3)ccc2C)c1 ZINC000520038646 928263365 /nfs/dbraw/zinc/26/33/65/928263365.db2.gz LMYLVPGKMGDKTG-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2ccc([O-])c(Cl)c2)N1 ZINC000520060659 928286545 /nfs/dbraw/zinc/28/65/45/928286545.db2.gz JNDWYIHRDFNVOP-HSZRJFAPSA-N -1 1 408.885 4.255 20 0 HIADMM CCC[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000520105232 928313536 /nfs/dbraw/zinc/31/35/36/928313536.db2.gz KUSIRHAQPPMCLF-QGZVFWFLSA-N -1 1 404.532 4.195 20 0 HIADMM CC[C@H]1CCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000520375737 928529863 /nfs/dbraw/zinc/52/98/63/928529863.db2.gz DIOBWGWYHFHYGY-SFHVURJKSA-N -1 1 406.935 4.464 20 0 HIADMM Cc1ccc(NC(=O)c2cnc(C3CC3)s2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000520513755 928612580 /nfs/dbraw/zinc/61/25/80/928612580.db2.gz QKWWIKQBFIUOAV-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3cscn3)ccc2C)c1 ZINC000520632900 928688599 /nfs/dbraw/zinc/68/85/99/928688599.db2.gz GTZLPZDINSVQSQ-UHFFFAOYSA-N -1 1 415.540 4.132 20 0 HIADMM COc1ccc(-c2nnc([N-]C(=O)c3ncoc3-c3ccc(OC)cc3)s2)cc1 ZINC000520650521 928699302 /nfs/dbraw/zinc/69/93/02/928699302.db2.gz ZLCSICPJSYLBJR-UHFFFAOYSA-N -1 1 408.439 4.130 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(COC3CCCCC3)c2)c1 ZINC000520722464 928772766 /nfs/dbraw/zinc/77/27/66/928772766.db2.gz AQWMJUAGXPSSNC-UHFFFAOYSA-N -1 1 416.543 4.468 20 0 HIADMM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(Cl)sc1Cl ZINC000520738337 928787612 /nfs/dbraw/zinc/78/76/12/928787612.db2.gz WOYQQILGHIKOCR-BXUZGUMPSA-N -1 1 410.319 4.393 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(Cl)c(Cl)c1 ZINC000520927008 928877785 /nfs/dbraw/zinc/87/77/85/928877785.db2.gz HNKLBUSGYOQWNH-UHFFFAOYSA-N -1 1 423.325 4.389 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000520977774 928898795 /nfs/dbraw/zinc/89/87/95/928898795.db2.gz DUISYSVKZQCKSV-UHFFFAOYSA-N -1 1 420.494 4.039 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3cccnc3)c2)cc1 ZINC000520979053 928899957 /nfs/dbraw/zinc/89/99/57/928899957.db2.gz BITHIXQKCQCULA-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1csc(N(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)n1 ZINC000521017466 928935106 /nfs/dbraw/zinc/93/51/06/928935106.db2.gz YDNJUTTXUAJGPW-UHFFFAOYSA-N -1 1 415.540 4.146 20 0 HIADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000521082409 928980844 /nfs/dbraw/zinc/98/08/44/928980844.db2.gz AYGUFQCPCIZMCC-IBGZPJMESA-N -1 1 420.513 4.217 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC000521328457 929144043 /nfs/dbraw/zinc/14/40/43/929144043.db2.gz TURGCRABELQMSA-UHFFFAOYSA-N -1 1 422.432 4.101 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)o1 ZINC000521513646 929268153 /nfs/dbraw/zinc/26/81/53/929268153.db2.gz HGZLQMPWXPTGFN-GOSISDBHSA-N -1 1 424.950 4.281 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1 ZINC000521540175 929283920 /nfs/dbraw/zinc/28/39/20/929283920.db2.gz QVNRHFZXWXNULH-FQEVSTJZSA-N -1 1 415.515 4.250 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 ZINC000521559492 929295474 /nfs/dbraw/zinc/29/54/74/929295474.db2.gz FPNMTZCKMOBAEZ-UHFFFAOYSA-N -1 1 424.522 4.300 20 0 HIADMM C[C@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)c2)C1 ZINC000521728626 929393650 /nfs/dbraw/zinc/39/36/50/929393650.db2.gz JDOBHWJBWPXFCM-KXBFYZLASA-N -1 1 414.527 4.077 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000521900916 929544735 /nfs/dbraw/zinc/54/47/35/929544735.db2.gz FQDJEKITPBXFCV-QZTJIDSGSA-N -1 1 418.559 4.136 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C)[C@H]3C)c2)cc1 ZINC000524653795 929767584 /nfs/dbraw/zinc/76/75/84/929767584.db2.gz JDRZXWPXWYADRN-DLBZAZTESA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](C)[C@@H]3C)c2)c1 ZINC000524655146 929768833 /nfs/dbraw/zinc/76/88/33/929768833.db2.gz XXRYQDFRTJXYNY-AEFFLSMTSA-N -1 1 400.544 4.365 20 0 HIADMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000525010193 929971487 /nfs/dbraw/zinc/97/14/87/929971487.db2.gz UCKOTLNVCKVRMK-UHFFFAOYSA-N -1 1 414.527 4.369 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CSc2ccccc21 ZINC000525069096 930015960 /nfs/dbraw/zinc/01/59/60/930015960.db2.gz RCHSLYYONLQWER-IBGZPJMESA-N -1 1 410.520 4.315 20 0 HIADMM CCn1nc(C(C)C)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525072203 930018111 /nfs/dbraw/zinc/01/81/11/930018111.db2.gz RBKCHSYYDTXLJY-UHFFFAOYSA-N -1 1 412.515 4.080 20 0 HIADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000525102441 930036509 /nfs/dbraw/zinc/03/65/09/930036509.db2.gz PKEZHRNFHXHIMI-CVEARBPZSA-N -1 1 404.507 4.277 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000525108405 930041483 /nfs/dbraw/zinc/04/14/83/930041483.db2.gz UQALCPPDQFLMFQ-UHFFFAOYSA-N -1 1 400.422 4.195 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C3CC3)C3CC3)cc2)ccc1F ZINC000525218803 930090511 /nfs/dbraw/zinc/09/05/11/930090511.db2.gz UOBSHKCHPJVGDM-UHFFFAOYSA-N -1 1 416.518 4.101 20 0 HIADMM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1c(Cl)cccc1C(F)(F)F ZINC000525386670 930212137 /nfs/dbraw/zinc/21/21/37/930212137.db2.gz BNCGVWIFHBLDTR-UHFFFAOYSA-N -1 1 424.775 4.313 20 0 HIADMM CCc1ccc([C@H](NC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)C(C)C)cc1 ZINC000525411866 930224925 /nfs/dbraw/zinc/22/49/25/930224925.db2.gz YORXQQGDBCRPPE-HXUWFJFHSA-N -1 1 419.547 4.148 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccc([S@@](C)=O)c3)cc2)cc1 ZINC000525481573 930270825 /nfs/dbraw/zinc/27/08/25/930270825.db2.gz AJMMTQFVHMUAHY-HHHXNRCGSA-N -1 1 417.508 4.026 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cccc1NC(=O)N(C)C ZINC000526004733 930505019 /nfs/dbraw/zinc/50/50/19/930505019.db2.gz UYBBFJZRXFUPEX-UHFFFAOYSA-N -1 1 421.522 4.461 20 0 HIADMM C[C@H]1C[C@H](C)N1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000526933220 930552110 /nfs/dbraw/zinc/55/21/10/930552110.db2.gz VARHCUNENWYCLK-STQMWFEESA-N -1 1 412.433 4.129 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000527340900 930639843 /nfs/dbraw/zinc/63/98/43/930639843.db2.gz XAUZANIXFWJGCY-UHFFFAOYSA-N -1 1 413.890 4.010 20 0 HIADMM Cc1ccc2c(c1)N(C(=O)c1cccc([N-]S(=O)(=O)c3ccccc3)c1)C[C@H](C)O2 ZINC000530637154 930782182 /nfs/dbraw/zinc/78/21/82/930782182.db2.gz BDWXGKFETPIDHN-KRWDZBQOSA-N -1 1 422.506 4.224 20 0 HIADMM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000530777416 930821074 /nfs/dbraw/zinc/82/10/74/930821074.db2.gz GJCLTDDGHKVFJJ-GYCJOSAFSA-N -1 1 406.530 4.293 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000531099339 930918970 /nfs/dbraw/zinc/91/89/70/930918970.db2.gz LMQRSTMNPVAUEZ-UHFFFAOYSA-N -1 1 420.517 4.025 20 0 HIADMM O=C(CCc1ccco1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000531112853 930924547 /nfs/dbraw/zinc/92/45/47/930924547.db2.gz GRQMTWQLRXVBLB-UHFFFAOYSA-N -1 1 420.874 4.011 20 0 HIADMM Cc1ccc2c(c1)N(C(=O)c1ccc([N-]S(=O)(=O)c3ccccc3)cc1)C[C@@H](C)O2 ZINC000531114327 930926749 /nfs/dbraw/zinc/92/67/49/930926749.db2.gz BNAGCJXIIFEDQH-QGZVFWFLSA-N -1 1 422.506 4.224 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1)c1ccc(F)cc1 ZINC000531780459 931194524 /nfs/dbraw/zinc/19/45/24/931194524.db2.gz IAZNOWRRJWCJAA-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000531780502 931194564 /nfs/dbraw/zinc/19/45/64/931194564.db2.gz KZOMLOMVXDBRMY-RUZDIDTESA-N -1 1 407.944 4.481 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000531872172 931230371 /nfs/dbraw/zinc/23/03/71/931230371.db2.gz NYXODRZEAPJTGY-NRFANRHFSA-N -1 1 417.513 4.219 20 0 HIADMM COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3[O-])C2)c2ccccc12 ZINC000532266805 931376520 /nfs/dbraw/zinc/37/65/20/931376520.db2.gz VJLCCCYYSGSDRS-OAHLLOKOSA-N -1 1 422.456 4.184 20 0 HIADMM O=c1c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cccn1Cc1ccccc1 ZINC000532292533 931387749 /nfs/dbraw/zinc/38/77/49/931387749.db2.gz IZZYESHTXHJWSF-UHFFFAOYSA-N -1 1 409.294 4.004 20 0 HIADMM O=C(Nc1ccc(Cl)cc1O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000532836890 931648733 /nfs/dbraw/zinc/64/87/33/931648733.db2.gz ILCRTBHMPZAAIQ-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(CC(F)F)C(C)C)ccc2C)c1 ZINC000532863646 931670722 /nfs/dbraw/zinc/67/07/22/931670722.db2.gz KSJZEYLKRVYQPS-UHFFFAOYSA-N -1 1 410.486 4.220 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)[C@@H]1COc2ccccc21 ZINC000533180347 931803022 /nfs/dbraw/zinc/80/30/22/931803022.db2.gz MIGOWWPTKGOKBB-WPRPVWTQSA-N -1 1 422.753 4.007 20 0 HIADMM CCc1noc(C)c1NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000533708014 931981893 /nfs/dbraw/zinc/98/18/93/931981893.db2.gz JCXQZVORCMLVJD-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM CCc1noc(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000533716937 931987948 /nfs/dbraw/zinc/98/79/48/931987948.db2.gz WDFXPXFMQZFJFU-UHFFFAOYSA-N -1 1 417.462 4.046 20 0 HIADMM CCc1noc(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000533717762 931988376 /nfs/dbraw/zinc/98/83/76/931988376.db2.gz KKQKTZODDXDNFQ-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C)cc2Br)c1-c1ccccc1 ZINC000533947080 932120550 /nfs/dbraw/zinc/12/05/50/932120550.db2.gz OMUXOKCSCBEJQV-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM CN1CC[C@@H](CNC(=O)CC2(C(=O)[O-])CCCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534241524 932359455 /nfs/dbraw/zinc/35/94/55/932359455.db2.gz BOSMDSYCFQNXLS-OXJNMPFZSA-N -1 1 424.944 4.403 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cnc4ccccn43)ccc2C)c1 ZINC000534289986 932377011 /nfs/dbraw/zinc/37/70/11/932377011.db2.gz BTHYBDFGQYYCRZ-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)c1 ZINC000534365729 932397169 /nfs/dbraw/zinc/39/71/69/932397169.db2.gz BRRXADMSYDJYLA-UHFFFAOYSA-N -1 1 408.483 4.161 20 0 HIADMM COCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000534413751 932434233 /nfs/dbraw/zinc/43/42/33/932434233.db2.gz LCFFSBSUNHLWDT-UHFFFAOYSA-N -1 1 410.923 4.060 20 0 HIADMM CCc1noc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000534427036 932442867 /nfs/dbraw/zinc/44/28/67/932442867.db2.gz CDZKZUBXOFEMOI-UHFFFAOYSA-N -1 1 417.462 4.046 20 0 HIADMM COc1ccc(Sc2nsc([N-]C(=O)c3csc([C@H]4CCCO4)n3)n2)cc1 ZINC000534474624 932504080 /nfs/dbraw/zinc/50/40/80/932504080.db2.gz KQMXKWNLBFTTJA-CYBMUJFWSA-N -1 1 420.541 4.258 20 0 HIADMM COc1ccc(NC(=O)C/C=C/c2ccc(C(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000535014485 932885168 /nfs/dbraw/zinc/88/51/68/932885168.db2.gz RPUNTAMVPGRYEU-AATRIKPKSA-N -1 1 402.516 4.232 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1 ZINC000535105021 932921991 /nfs/dbraw/zinc/92/19/91/932921991.db2.gz DWWNAHKEECMALT-UHFFFAOYSA-N -1 1 400.438 4.226 20 0 HIADMM CCOc1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000535129617 932949438 /nfs/dbraw/zinc/94/94/38/932949438.db2.gz KKPRYLVEXYQDMC-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)co1 ZINC000535153688 932970271 /nfs/dbraw/zinc/97/02/71/932970271.db2.gz NWOHECMUUMHPMG-AWEZNQCLSA-N -1 1 416.524 4.293 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1c(C)noc1C ZINC000535245894 933034705 /nfs/dbraw/zinc/03/47/05/933034705.db2.gz HMBQSPCIXGZPCX-QMMMGPOBSA-N -1 1 413.746 4.198 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1-c1ccccc1 ZINC000535397949 933115567 /nfs/dbraw/zinc/11/55/67/933115567.db2.gz SWZVOCCDDFUHIQ-UHFFFAOYSA-N -1 1 411.405 4.127 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnc2C)cc1C ZINC000535508368 933202363 /nfs/dbraw/zinc/20/23/63/933202363.db2.gz QCCWTKHCVCYEDC-UHFFFAOYSA-N -1 1 412.511 4.191 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(Br)cc1C(C)C ZINC000535522460 933213001 /nfs/dbraw/zinc/21/30/01/933213001.db2.gz UXCQJXNOERGNAI-UHFFFAOYSA-N -1 1 417.307 4.119 20 0 HIADMM CN1CC[C@H](CNC(=O)CC2(CC(=O)[O-])CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535691872 933345950 /nfs/dbraw/zinc/34/59/50/933345950.db2.gz OWXGKIQFOWDJAL-IERDGZPVSA-N -1 1 424.944 4.403 20 0 HIADMM CN1CC[C@@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535691785 933347059 /nfs/dbraw/zinc/34/70/59/933347059.db2.gz MEPGGKUSRIHSCR-MGPUTAFESA-N -1 1 410.917 4.013 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3nccs3)cc2)c1 ZINC000536093271 933642195 /nfs/dbraw/zinc/64/21/95/933642195.db2.gz WETFLTNTMQDKOF-UHFFFAOYSA-N -1 1 420.450 4.317 20 0 HIADMM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000537838689 938386776 /nfs/dbraw/zinc/38/67/76/938386776.db2.gz UZGKSOHHHSHCIX-UHFFFAOYSA-N -1 1 408.479 4.065 20 0 HIADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000537930179 938418299 /nfs/dbraw/zinc/41/82/99/938418299.db2.gz CMZMBPAUPMMUMB-CZUORRHYSA-N -1 1 408.470 4.169 20 0 HIADMM COCCCSc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000563313440 945174451 /nfs/dbraw/zinc/17/44/51/945174451.db2.gz LYGSIOIGZZPAAP-UHFFFAOYSA-N -1 1 412.920 4.411 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1 ZINC000538016119 938462888 /nfs/dbraw/zinc/46/28/88/938462888.db2.gz YXDSQBAIPQSZQM-UHFFFAOYSA-N -1 1 404.513 4.310 20 0 HIADMM Cc1cccc(C)c1CC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000538579142 938654252 /nfs/dbraw/zinc/65/42/52/938654252.db2.gz VWWMILIYIGDTDC-UHFFFAOYSA-N -1 1 422.550 4.305 20 0 HIADMM Cc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nn1[C@H](C)C1CC1 ZINC000538583591 938655473 /nfs/dbraw/zinc/65/54/73/938655473.db2.gz JSRUWUYKCBFOIP-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM O=C(c1nc[n-]c1-c1nc(Cc2nc3ccccc3n2C(F)F)no1)c1ccccc1 ZINC000563478064 945198196 /nfs/dbraw/zinc/19/81/96/945198196.db2.gz DXQXTITWRUBOPX-UHFFFAOYSA-N -1 1 420.379 4.026 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n[nH]c1-c1ccccc1 ZINC000539113316 938804974 /nfs/dbraw/zinc/80/49/74/938804974.db2.gz QODCQLGAQVDZAO-UHFFFAOYSA-N -1 1 413.833 4.441 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000539136306 938809476 /nfs/dbraw/zinc/80/94/76/938809476.db2.gz BDIIAAJIDDNBTC-LJQANCHMSA-N -1 1 420.600 4.318 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000539844911 938955716 /nfs/dbraw/zinc/95/57/16/938955716.db2.gz UISOFNLWDLKPSD-HXUWFJFHSA-N -1 1 423.419 4.295 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3conc3C3CC3)ccc2C)c1 ZINC000539932302 938978957 /nfs/dbraw/zinc/97/89/57/938978957.db2.gz ZBKGEVMMHMALIO-UHFFFAOYSA-N -1 1 411.483 4.222 20 0 HIADMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc21 ZINC000540215401 939131739 /nfs/dbraw/zinc/13/17/39/939131739.db2.gz QRWLBBWNWKUPSQ-UHFFFAOYSA-N -1 1 412.433 4.195 20 0 HIADMM C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000540250244 939168356 /nfs/dbraw/zinc/16/83/56/939168356.db2.gz CLJZKORDRARRGX-OAHLLOKOSA-N -1 1 415.490 4.055 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCCCC3)c2)cc1 ZINC000540293631 939185269 /nfs/dbraw/zinc/18/52/69/939185269.db2.gz REZOIFIOMYQYIU-HHHXNRCGSA-N -1 1 421.584 4.215 20 0 HIADMM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Br ZINC000540338276 939199543 /nfs/dbraw/zinc/19/95/43/939199543.db2.gz VKLNYLYSYRQGJK-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1nc2ccccc2cc1Br ZINC000563650486 945236450 /nfs/dbraw/zinc/23/64/50/945236450.db2.gz MIQNGLORDZSXNO-UHFFFAOYSA-N -1 1 409.243 4.345 20 0 HIADMM Cc1nc(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)[n-]c(=O)c1C ZINC000540714607 939346435 /nfs/dbraw/zinc/34/64/35/939346435.db2.gz YPMPZQQFLFSWLH-LDYMZIIASA-N -1 1 402.545 4.487 20 0 HIADMM CC[C@@H]1C[C@@H](CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000541014659 939431421 /nfs/dbraw/zinc/43/14/21/939431421.db2.gz WDGIINQGWBMQOR-DOTOQJQBSA-N -1 1 420.506 4.160 20 0 HIADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C2)C1 ZINC000541045629 939440746 /nfs/dbraw/zinc/44/07/46/939440746.db2.gz NQTHUEIPKDTEHI-ZHRRBRCNSA-N -1 1 416.518 4.279 20 0 HIADMM CO[C@@H](C)CCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000541090529 939456478 /nfs/dbraw/zinc/45/64/78/939456478.db2.gz UKQYLZNPQZFSEX-AWEZNQCLSA-N -1 1 410.923 4.203 20 0 HIADMM CCOc1ccc(C(C)(C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1OCC ZINC000541237312 939487024 /nfs/dbraw/zinc/48/70/24/939487024.db2.gz GACOVTHHIZKSLZ-UHFFFAOYSA-N -1 1 409.486 4.496 20 0 HIADMM Cc1noc(C2CC2)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000541560978 939555464 /nfs/dbraw/zinc/55/54/64/939555464.db2.gz ZNNSRBUTFSNEIX-UHFFFAOYSA-N -1 1 415.446 4.053 20 0 HIADMM C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc([O-])c(Cl)c4)[nH]c(=O)c32)C1 ZINC000541887334 939649294 /nfs/dbraw/zinc/64/92/94/939649294.db2.gz MIASTDBPWCBNIA-SNVBAGLBSA-N -1 1 417.918 4.452 20 0 HIADMM Cn1nc(C2CCCC2)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000541975574 939667847 /nfs/dbraw/zinc/66/78/47/939667847.db2.gz KFSNHOASHDBZIH-UHFFFAOYSA-N -1 1 424.526 4.131 20 0 HIADMM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1c(F)cc(Cl)cc1F ZINC000542237973 939770156 /nfs/dbraw/zinc/77/01/56/939770156.db2.gz UJCXTYLPDSNIHN-UHFFFAOYSA-N -1 1 402.781 4.354 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCn1c2ccccc2c2ccccc21 ZINC000542425994 939820304 /nfs/dbraw/zinc/82/03/04/939820304.db2.gz JQUDQNMHPNBDKF-UHFFFAOYSA-N -1 1 402.498 4.326 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c1 ZINC000542608497 939848002 /nfs/dbraw/zinc/84/80/02/939848002.db2.gz DBJOUAJWEOEIOQ-UHFFFAOYSA-N -1 1 420.425 4.458 20 0 HIADMM CC[C@H](C)n1ncc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1C1CC1 ZINC000542941655 939882616 /nfs/dbraw/zinc/88/26/16/939882616.db2.gz DCRYMLMCYOXMAD-AWEZNQCLSA-N -1 1 419.547 4.085 20 0 HIADMM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000543168920 939983758 /nfs/dbraw/zinc/98/37/58/939983758.db2.gz JJRLTTPHWUNZBT-NSHDSACASA-N -1 1 412.722 4.166 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C[C@H]3CC=CCC3)cc2)ccc1F ZINC000543355828 940040513 /nfs/dbraw/zinc/04/05/13/940040513.db2.gz AYRHPBVVZDDPKZ-KRWDZBQOSA-N -1 1 416.518 4.363 20 0 HIADMM Cc1noc(C2CC2)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000543439252 940064267 /nfs/dbraw/zinc/06/42/67/940064267.db2.gz ADANKIKBJATDSV-UHFFFAOYSA-N -1 1 415.446 4.053 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H](C)C(C)C ZINC000563778207 945298856 /nfs/dbraw/zinc/29/88/56/945298856.db2.gz QALMPDDDLAQVOQ-AWEZNQCLSA-N -1 1 410.486 4.272 20 0 HIADMM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Br)c(Cl)c1Cl ZINC000543682959 940159105 /nfs/dbraw/zinc/15/91/05/940159105.db2.gz NGJXLZIINRDIAW-UHFFFAOYSA-N -1 1 400.081 4.162 20 0 HIADMM C[C@@H](CNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000543680806 940159157 /nfs/dbraw/zinc/15/91/57/940159157.db2.gz VJQQIRBDTBPUNV-SFHVURJKSA-N -1 1 423.538 4.090 20 0 HIADMM CCc1nc2cc(S(=O)(=O)[N-]c3ccc(N(C)C)cc3C(F)(F)F)ccc2o1 ZINC000543859950 940213561 /nfs/dbraw/zinc/21/35/61/940213561.db2.gz LEJIMKPAVRNNJN-UHFFFAOYSA-N -1 1 413.421 4.276 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ncc3ccccc32)cc1)c1ccccc1-c1ccno1 ZINC000543869687 940217520 /nfs/dbraw/zinc/21/75/20/940217520.db2.gz HLGAYYKEDHZNPM-UHFFFAOYSA-N -1 1 416.462 4.481 20 0 HIADMM CC(C)n1cc2cc([N-]S(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)ccc2n1 ZINC000544095658 940325325 /nfs/dbraw/zinc/32/53/25/940325325.db2.gz BRJTZBBRGUMUHI-UHFFFAOYSA-N -1 1 414.462 4.353 20 0 HIADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)c2cccc(Cl)c2O1 ZINC000544128615 940333623 /nfs/dbraw/zinc/33/36/23/940333623.db2.gz RUXWDPXSIXZTIM-GFCCVEGCSA-N -1 1 407.923 4.003 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCCCc3ccccc32)c1 ZINC000544503505 940458242 /nfs/dbraw/zinc/45/82/42/940458242.db2.gz BFHKSHMJTJSYDW-UHFFFAOYSA-N -1 1 405.454 4.314 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)ccc1C(F)(F)F ZINC000544628729 940494196 /nfs/dbraw/zinc/49/41/96/940494196.db2.gz OQCJWCYAHRGFCR-UHFFFAOYSA-N -1 1 424.444 4.040 20 0 HIADMM COCCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000544731346 940508412 /nfs/dbraw/zinc/50/84/12/940508412.db2.gz QYRKSAPZLZWZGZ-UHFFFAOYSA-N -1 1 410.923 4.142 20 0 HIADMM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000544824662 940517597 /nfs/dbraw/zinc/51/75/97/940517597.db2.gz PUNYOLFTADMPFD-SECBINFHSA-N -1 1 417.193 4.108 20 0 HIADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000544831379 940518150 /nfs/dbraw/zinc/51/81/50/940518150.db2.gz AETSWZNUHDNXQW-SECBINFHSA-N -1 1 417.193 4.108 20 0 HIADMM CC(C)(C)[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000544889940 940522119 /nfs/dbraw/zinc/52/21/19/940522119.db2.gz OTDZCOUWMAJJNE-MRXNPFEDSA-N -1 1 401.532 4.387 20 0 HIADMM Cn1cccc1[C@@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544889902 940522133 /nfs/dbraw/zinc/52/21/33/940522133.db2.gz JZDPFRHOQPTGRZ-NRFANRHFSA-N -1 1 424.526 4.195 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(CC(F)(F)F)no3)cc2)c1C ZINC000544949712 940527460 /nfs/dbraw/zinc/52/74/60/940527460.db2.gz QNZADNJIHMGKQU-UHFFFAOYSA-N -1 1 411.405 4.259 20 0 HIADMM Cc1ccccc1OCc1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000545002789 940532580 /nfs/dbraw/zinc/53/25/80/940532580.db2.gz FVIGRRMWCYYGOB-UHFFFAOYSA-N -1 1 421.478 4.425 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(-c2nc(CCC(F)(F)F)no2)c1 ZINC000545050509 940537055 /nfs/dbraw/zinc/53/70/55/940537055.db2.gz VEXVMPGGSPJSFM-UHFFFAOYSA-N -1 1 415.368 4.171 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)cc(Cl)c1[O-] ZINC000545149845 940551482 /nfs/dbraw/zinc/55/14/82/940551482.db2.gz UGDJFWXPYMSLGY-UHFFFAOYSA-N -1 1 402.878 4.208 20 0 HIADMM CSc1ncc(Cl)c(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)n1 ZINC000545203478 940555709 /nfs/dbraw/zinc/55/57/09/940555709.db2.gz HEDHSBJMMPXTMV-UHFFFAOYSA-N -1 1 415.693 4.196 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3cnccc3C)cc2)cc1C ZINC000545242585 940557989 /nfs/dbraw/zinc/55/79/89/940557989.db2.gz BIAXVAWQHCGYHZ-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM O=C(Nc1ccc(Cl)cc1[O-])c1ncc(Br)cc1Br ZINC000545421739 940569088 /nfs/dbraw/zinc/56/90/88/940569088.db2.gz DJYIJPFWHPUSQE-UHFFFAOYSA-N -1 1 406.461 4.218 20 0 HIADMM CC(C)n1cc2ccc(NC(=O)c3ccc(I)c([O-])c3)cc2n1 ZINC000545494804 940572051 /nfs/dbraw/zinc/57/20/51/940572051.db2.gz ZHAOIPAVKVHHBR-UHFFFAOYSA-N -1 1 421.238 4.180 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc(-c3ccccn3)no2)c1 ZINC000545551515 940574407 /nfs/dbraw/zinc/57/44/07/940574407.db2.gz MZXMTMPWKAWRKY-UHFFFAOYSA-N -1 1 412.858 4.253 20 0 HIADMM CSCc1cccc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c1 ZINC000545694358 940581126 /nfs/dbraw/zinc/58/11/26/940581126.db2.gz BGLFGVOIPULFBU-UHFFFAOYSA-N -1 1 405.483 4.056 20 0 HIADMM CCS[C@@H](C)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)n1 ZINC000545776830 940585124 /nfs/dbraw/zinc/58/51/24/940585124.db2.gz KDXPBDXZTPBYHW-ZDUSSCGKSA-N -1 1 419.528 4.360 20 0 HIADMM COC1(c2noc(-c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)n2)CCC1 ZINC000545811178 940607628 /nfs/dbraw/zinc/60/76/28/940607628.db2.gz WKJJKZJZOKKCHH-UHFFFAOYSA-N -1 1 413.499 4.180 20 0 HIADMM Cc1ccccc1[C@@H](C)c1noc(CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000545835345 940623342 /nfs/dbraw/zinc/62/33/42/940623342.db2.gz QXAAGTAHSONXJM-OAHLLOKOSA-N -1 1 401.470 4.181 20 0 HIADMM COc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(Cl)c1[O-] ZINC000545886227 940652637 /nfs/dbraw/zinc/65/26/37/940652637.db2.gz IZLIWSQWKUGVKM-UHFFFAOYSA-N -1 1 414.811 4.035 20 0 HIADMM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccccc3Cn3ccnc3)ccc21 ZINC000546086930 940695546 /nfs/dbraw/zinc/69/55/46/940695546.db2.gz OIPCQURTFKBXDH-UHFFFAOYSA-N -1 1 408.527 4.343 20 0 HIADMM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(I)c([O-])c1 ZINC000546168542 940720610 /nfs/dbraw/zinc/72/06/10/940720610.db2.gz JPUMYRDQMGOEMQ-UHFFFAOYSA-N -1 1 421.687 4.374 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(-c3n[nH]c4ccccc43)no2)cc1 ZINC000546421029 940816181 /nfs/dbraw/zinc/81/61/81/940816181.db2.gz DVMUBTFLYUSIDA-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM CCS[C@@H](C)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000546489179 940834589 /nfs/dbraw/zinc/83/45/89/940834589.db2.gz VOSNTBPZGMKLFH-LBPRGKRZSA-N -1 1 407.492 4.491 20 0 HIADMM CCOc1cc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)cc(Cl)c1[O-] ZINC000546584259 940858037 /nfs/dbraw/zinc/85/80/37/940858037.db2.gz JSINCJPHSHNMIO-UHFFFAOYSA-N -1 1 417.893 4.002 20 0 HIADMM CCOc1cc(C(=O)NCc2cc(Cl)c(OCC)c(OC)c2)cc(Cl)c1[O-] ZINC000546584781 940858287 /nfs/dbraw/zinc/85/82/87/940858287.db2.gz SJLDJNKQADZHGU-UHFFFAOYSA-N -1 1 414.285 4.435 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(Sc2ccc(Cl)cc2)c1 ZINC000546832521 940890760 /nfs/dbraw/zinc/89/07/60/940890760.db2.gz KAKJLUMLMSDUPM-AWEZNQCLSA-N -1 1 413.934 4.333 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1OC(C)C ZINC000546887153 940901687 /nfs/dbraw/zinc/90/16/87/940901687.db2.gz NPEBKLRDQROGSG-UHFFFAOYSA-N -1 1 420.531 4.268 20 0 HIADMM O=C(NCCCc1cccs1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546923772 940914459 /nfs/dbraw/zinc/91/44/59/940914459.db2.gz APECPUPUPREHRC-UHFFFAOYSA-N -1 1 415.540 4.303 20 0 HIADMM CCc1cnccc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000547155413 941014194 /nfs/dbraw/zinc/01/41/94/941014194.db2.gz GFXALSMVWFSLKY-UHFFFAOYSA-N -1 1 406.467 4.162 20 0 HIADMM CCOc1cc(C(=O)N(Cc2ccc(OC)cc2)[C@H](CO)C(C)C)cc(Cl)c1[O-] ZINC000547261842 941046420 /nfs/dbraw/zinc/04/64/20/941046420.db2.gz HUTRTXPSMBRROX-LJQANCHMSA-N -1 1 421.921 4.112 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)cc(Cl)c1[O-] ZINC000547267783 941048670 /nfs/dbraw/zinc/04/86/70/941048670.db2.gz DVTJKRUYIACJNZ-UHFFFAOYSA-N -1 1 411.907 4.020 20 0 HIADMM Cc1cc(Br)cnc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000547269526 941049342 /nfs/dbraw/zinc/04/93/42/941049342.db2.gz TYDMFRYBAFLQSM-UHFFFAOYSA-N -1 1 410.120 4.401 20 0 HIADMM CCOc1cc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc(Cl)c1[O-] ZINC000547290307 941053109 /nfs/dbraw/zinc/05/31/09/941053109.db2.gz VVZLDIMBZDOJMO-UHFFFAOYSA-N -1 1 417.889 4.188 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[nH]3)c2)cc(Cl)c1[O-] ZINC000547290911 941053424 /nfs/dbraw/zinc/05/34/24/941053424.db2.gz UBWFIAQFKGYUFS-UHFFFAOYSA-N -1 1 413.861 4.422 20 0 HIADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2oc3c(cccc3Cl)c2C)n[n-]1 ZINC000548723002 941121393 /nfs/dbraw/zinc/12/13/93/941121393.db2.gz GSHABDLVEHRCLI-CQSZACIVSA-N -1 1 418.881 4.207 20 0 HIADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2oc3c(cccc3Cl)c2C)[n-]1 ZINC000548723002 941121394 /nfs/dbraw/zinc/12/13/94/941121394.db2.gz GSHABDLVEHRCLI-CQSZACIVSA-N -1 1 418.881 4.207 20 0 HIADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2oc3c(cccc3Cl)c2C)n1 ZINC000548723002 941121395 /nfs/dbraw/zinc/12/13/95/941121395.db2.gz GSHABDLVEHRCLI-CQSZACIVSA-N -1 1 418.881 4.207 20 0 HIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)c2)n1 ZINC000548995433 941140180 /nfs/dbraw/zinc/14/01/80/941140180.db2.gz AEJHRPOASMXTQJ-UHFFFAOYSA-N -1 1 411.405 4.481 20 0 HIADMM Cn1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C1CCC1 ZINC000549366374 941183060 /nfs/dbraw/zinc/18/30/60/941183060.db2.gz QONHXEBSPPSGKS-UHFFFAOYSA-N -1 1 409.511 4.346 20 0 HIADMM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1=O ZINC000549584900 941200434 /nfs/dbraw/zinc/20/04/34/941200434.db2.gz OPQPKADLBUUVCF-RDJZCZTQSA-N -1 1 418.497 4.287 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1Cl ZINC000549912196 941237320 /nfs/dbraw/zinc/23/73/20/941237320.db2.gz CNWXTUJHQAHZDA-JTQLQIEISA-N -1 1 402.872 4.100 20 0 HIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3nn(-c4cc(C)ccc4F)cc3[O-])[nH]c2c1 ZINC000550167688 941292714 /nfs/dbraw/zinc/29/27/14/941292714.db2.gz ZKKJFUKQKIUIQK-GOSISDBHSA-N -1 1 419.460 4.187 20 0 HIADMM COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cncc([O-])c2)c1 ZINC000550711786 941357185 /nfs/dbraw/zinc/35/71/85/941357185.db2.gz AKRDWHLNCJWWIC-UHFFFAOYSA-N -1 1 415.858 4.026 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccco4)no3)cc2)cc1 ZINC000551047635 941400327 /nfs/dbraw/zinc/40/03/27/941400327.db2.gz UGGIOZVQSXEXQY-UHFFFAOYSA-N -1 1 411.439 4.196 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC=C(c2ccccc2)C1 ZINC000551359616 941461365 /nfs/dbraw/zinc/46/13/65/941461365.db2.gz UIOFRPXABVVLKQ-UHFFFAOYSA-N -1 1 418.518 4.417 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(Br)c1 ZINC000551467468 941485769 /nfs/dbraw/zinc/48/57/69/941485769.db2.gz WXOPTQGPBQIUEU-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM Cc1c(Br)cc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1C(=O)[O-] ZINC000551477075 941487716 /nfs/dbraw/zinc/48/77/16/941487716.db2.gz CGZBWDUZZCMIRW-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2c1=O ZINC000551477769 941487749 /nfs/dbraw/zinc/48/77/49/941487749.db2.gz RURZODPUFOYRIB-UHFFFAOYSA-N -1 1 416.808 4.012 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3C[C@H]3c3ccccc3)cc2)ccc1F ZINC000552131671 941590638 /nfs/dbraw/zinc/59/06/38/941590638.db2.gz UVWVWMCOBXMCFT-UNMCSNQZSA-N -1 1 424.497 4.221 20 0 HIADMM O=C(CCc1nc(-c2ccoc2)no1)Nc1c([O-])cc(Br)cc1Cl ZINC000552195805 941599813 /nfs/dbraw/zinc/59/98/13/941599813.db2.gz WYINYFWKBPYLDP-UHFFFAOYSA-N -1 1 412.627 4.022 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCc2cc(Cl)ccc21 ZINC000552293526 941623865 /nfs/dbraw/zinc/62/38/65/941623865.db2.gz YXLVZNUKVHDTAF-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000552784995 941762275 /nfs/dbraw/zinc/76/22/75/941762275.db2.gz LMAMTIIACOKDKE-UHFFFAOYSA-N -1 1 416.934 4.495 20 0 HIADMM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000553225695 941852701 /nfs/dbraw/zinc/85/27/01/941852701.db2.gz FVWXSQMXOHEVCH-KSSFIOAISA-N -1 1 415.559 4.154 20 0 HIADMM COCCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000553479104 941892330 /nfs/dbraw/zinc/89/23/30/941892330.db2.gz COXIPXYPQRWSED-LLVKDONJSA-N -1 1 421.918 4.396 20 0 HIADMM COCCCC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccccc1 ZINC000553546285 941906303 /nfs/dbraw/zinc/90/63/03/941906303.db2.gz WJTQLYJWAXKSDJ-INIZCTEOSA-N -1 1 403.878 4.455 20 0 HIADMM COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000553826235 941978347 /nfs/dbraw/zinc/97/83/47/941978347.db2.gz UFSPXHOFKBCLFL-KBXCAEBGSA-N -1 1 415.559 4.154 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000553943491 942004420 /nfs/dbraw/zinc/00/44/20/942004420.db2.gz XZVUYZITEFNLND-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ncoc1C1CC1 ZINC000554932124 942323855 /nfs/dbraw/zinc/32/38/55/942323855.db2.gz FNBSJUOWUJRGFC-UHFFFAOYSA-N -1 1 417.874 4.259 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(F)(F)[C@H](C)C3)cc2)c1C ZINC000555114647 942389051 /nfs/dbraw/zinc/38/90/51/942389051.db2.gz IKGNVHRKFCDJDT-OAHLLOKOSA-N -1 1 422.497 4.222 20 0 HIADMM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000555599856 942662496 /nfs/dbraw/zinc/66/24/96/942662496.db2.gz NIQNECLAOLVOFL-UHFFFAOYSA-N -1 1 403.482 4.075 20 0 HIADMM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000556346079 942846963 /nfs/dbraw/zinc/84/69/63/942846963.db2.gz GOSQZWBSFUGURD-UHFFFAOYSA-N -1 1 418.298 4.368 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000556793526 942933224 /nfs/dbraw/zinc/93/32/24/942933224.db2.gz ZWJPNZCGQAOJDO-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM CCOc1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc1OC ZINC000556846386 942938882 /nfs/dbraw/zinc/93/88/82/942938882.db2.gz XEBCFZAWPGYXMW-UHFFFAOYSA-N -1 1 400.656 4.468 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000556851620 942939554 /nfs/dbraw/zinc/93/95/54/942939554.db2.gz KBYQXUIPKIYQQJ-UHFFFAOYSA-N -1 1 409.667 4.187 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)c2)cc1 ZINC000557359113 943085749 /nfs/dbraw/zinc/08/57/49/943085749.db2.gz XPYRTWVNAHIISC-VXKWHMMOSA-N -1 1 424.497 4.221 20 0 HIADMM COc1cccc(OC(F)(F)F)c1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000557762653 943283571 /nfs/dbraw/zinc/28/35/71/943283571.db2.gz ZZDJUCUUSQLAQO-UHFFFAOYSA-N -1 1 420.391 4.380 20 0 HIADMM COc1cc(OC)c(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)c(OC)c1 ZINC000558151289 943397161 /nfs/dbraw/zinc/39/71/61/943397161.db2.gz ZRTUCCRIGIOCTB-UHFFFAOYSA-N -1 1 407.822 4.104 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000558574701 943605392 /nfs/dbraw/zinc/60/53/92/943605392.db2.gz MZJACMKVAPBAGM-INIZCTEOSA-N -1 1 401.768 4.158 20 0 HIADMM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000558763816 943651340 /nfs/dbraw/zinc/65/13/40/943651340.db2.gz LHOUQMHOZVUUNZ-ZDUSSCGKSA-N -1 1 404.894 4.178 20 0 HIADMM CCc1nc2cc(CNC(=O)c3ccc(Br)c([O-])c3)ccc2n1C1CC1 ZINC000558927333 943750438 /nfs/dbraw/zinc/75/04/38/943750438.db2.gz RGGFGXJLANKKCY-UHFFFAOYSA-N -1 1 414.303 4.332 20 0 HIADMM O=S(=O)(Cc1nc(-c2ccccc2)cs1)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000559984038 944111162 /nfs/dbraw/zinc/11/11/62/944111162.db2.gz VUAOFVFLGYYMLS-UHFFFAOYSA-N -1 1 416.915 4.223 20 0 HIADMM O=S(=O)(Cc1nc(-c2ccccc2)cs1)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000559984038 944111165 /nfs/dbraw/zinc/11/11/65/944111165.db2.gz VUAOFVFLGYYMLS-UHFFFAOYSA-N -1 1 416.915 4.223 20 0 HIADMM O=S(=O)([N-][C@@H](c1cncc(Br)c1)C1CC1)c1cc(Cl)ccc1F ZINC000560016637 944130979 /nfs/dbraw/zinc/13/09/79/944130979.db2.gz UJKVOEHWFHZDMS-OAHLLOKOSA-N -1 1 419.703 4.066 20 0 HIADMM C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000560102330 944159700 /nfs/dbraw/zinc/15/97/00/944159700.db2.gz UIWGJBOJUGSMJA-CXAGYDPISA-N -1 1 406.454 4.306 20 0 HIADMM O=C(CCCNC(=O)c1ccsc1)Nc1c([O-])cc(Br)cc1Cl ZINC000560503922 944238112 /nfs/dbraw/zinc/23/81/12/944238112.db2.gz PLKAPGPESFKTPA-UHFFFAOYSA-N -1 1 417.712 4.018 20 0 HIADMM CCC(CC)(CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1)OC ZINC000560726829 944312218 /nfs/dbraw/zinc/31/22/18/944312218.db2.gz WOFPEUSZJSSNAA-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM COc1cc2nc(-c3ccc(NC(=O)CC4CCCC4)cc3)[n-]c(=O)c2cc1OC ZINC000561040666 944412995 /nfs/dbraw/zinc/41/29/95/944412995.db2.gz YAGPDIFCBYUUJW-UHFFFAOYSA-N -1 1 407.470 4.126 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC(C2CCC2)C1 ZINC000561095651 944447928 /nfs/dbraw/zinc/44/79/28/944447928.db2.gz UZJXLACYRVQVCY-UHFFFAOYSA-N -1 1 404.919 4.013 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)c2cccnc12 ZINC000562307776 945056822 /nfs/dbraw/zinc/05/68/22/945056822.db2.gz QFDQFERQOIMROV-UHFFFAOYSA-N -1 1 409.467 4.316 20 0 HIADMM CC(C)OCCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000564259175 945475950 /nfs/dbraw/zinc/47/59/50/945475950.db2.gz COBUSSGXIQKTDM-UHFFFAOYSA-N -1 1 424.950 4.028 20 0 HIADMM O=C(Nc1cc(F)cc(F)c1F)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000564481882 945614140 /nfs/dbraw/zinc/61/41/40/945614140.db2.gz HSJFYJGCVHHVHP-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(-c4ccccc4)c3)cc2C[C@H]1C ZINC000565084066 945770734 /nfs/dbraw/zinc/77/07/34/945770734.db2.gz YIVAXQYXLUSXJP-MRXNPFEDSA-N -1 1 406.507 4.452 20 0 HIADMM CCOc1cccc(-c2cccc([N-]S(=O)(=O)Cc3ccccc3COC)n2)c1 ZINC000565797580 945885070 /nfs/dbraw/zinc/88/50/70/945885070.db2.gz WJLKBQQYSJMPQG-UHFFFAOYSA-N -1 1 412.511 4.236 20 0 HIADMM Cc1ccoc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000565909866 945913996 /nfs/dbraw/zinc/91/39/96/945913996.db2.gz HNBNZVUSJBSALE-UHFFFAOYSA-N -1 1 422.865 4.111 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(F)(F)[C@@H](C)C3)ccc2C)c1 ZINC000567289915 946297421 /nfs/dbraw/zinc/29/74/21/946297421.db2.gz XKQQBBSPAKQSQI-INIZCTEOSA-N -1 1 422.497 4.222 20 0 HIADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1Cl ZINC000568436305 946545989 /nfs/dbraw/zinc/54/59/89/946545989.db2.gz GHRZFHCDQYYYOZ-UHFFFAOYSA-N -1 1 416.877 4.464 20 0 HIADMM CC[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000568675112 946648468 /nfs/dbraw/zinc/64/84/68/946648468.db2.gz RBCRCZZFYCMBBE-KXBFYZLASA-N -1 1 419.522 4.099 20 0 HIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000568736498 946676220 /nfs/dbraw/zinc/67/62/20/946676220.db2.gz QCCJUIFPMAHDGO-UHFFFAOYSA-N -1 1 411.246 4.150 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](CC3CC3)C2)cc1 ZINC000568790051 946690787 /nfs/dbraw/zinc/69/07/87/946690787.db2.gz OOSQDYYBQFYCOB-KRWDZBQOSA-N -1 1 416.518 4.197 20 0 HIADMM COc1cc(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)cc(Cl)c1[O-] ZINC000568850390 946724726 /nfs/dbraw/zinc/72/47/26/946724726.db2.gz GVTZHOGNMUQTER-UHFFFAOYSA-N -1 1 409.313 4.369 20 0 HIADMM Cc1cccn(Cc2c(F)cccc2[N-]S(=O)(=O)c2ccc(Cl)cc2C)c1=O ZINC000569613657 946896247 /nfs/dbraw/zinc/89/62/47/946896247.db2.gz DGHFMSQKVSNQSF-UHFFFAOYSA-N -1 1 420.893 4.107 20 0 HIADMM CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2OCC(F)F)cc1C(=O)[O-] ZINC000569881546 947031765 /nfs/dbraw/zinc/03/17/65/947031765.db2.gz DTDYUYXLZFMXGR-UHFFFAOYSA-N -1 1 419.833 4.045 20 0 HIADMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000569959915 947053369 /nfs/dbraw/zinc/05/33/69/947053369.db2.gz ZHSFYSGFDGMRPX-UHFFFAOYSA-N -1 1 420.840 4.252 20 0 HIADMM O=c1cc(C(F)F)nc(SCc2cc3c(cc2Br)OCCCO3)[n-]1 ZINC000570320608 947201253 /nfs/dbraw/zinc/20/12/53/947201253.db2.gz RGYDPGCDWOGQPO-UHFFFAOYSA-N -1 1 419.247 4.336 20 0 HIADMM O=C1CCCc2ccc(S(=O)(=O)[N-]c3cccc(-c4ncc5n4CCCC5)c3)cc21 ZINC000570494227 947268628 /nfs/dbraw/zinc/26/86/28/947268628.db2.gz NMRWWSYBCRQNLI-UHFFFAOYSA-N -1 1 421.522 4.206 20 0 HIADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000570583600 947302192 /nfs/dbraw/zinc/30/21/92/947302192.db2.gz JMFOIJHUUHEOLP-HOTGVXAUSA-N -1 1 400.385 4.323 20 0 HIADMM COc1ccc(-c2ocnc2C(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000571090363 947488569 /nfs/dbraw/zinc/48/85/69/947488569.db2.gz CMEWTVSWJVDXSP-UHFFFAOYSA-N -1 1 403.232 4.379 20 0 HIADMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c2ccccn2)c1 ZINC000571390690 947634037 /nfs/dbraw/zinc/63/40/37/947634037.db2.gz PVLRXPISAUFRES-GOSISDBHSA-N -1 1 408.857 4.390 20 0 HIADMM COc1ccc2ccccc2c1-c1cc(CNC(=O)c2c(F)ccc([O-])c2F)on1 ZINC000571841733 947802831 /nfs/dbraw/zinc/80/28/31/947802831.db2.gz KVWNMQCXDSZSTL-UHFFFAOYSA-N -1 1 410.376 4.417 20 0 HIADMM CC(C)OCCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000572053618 947834235 /nfs/dbraw/zinc/83/42/35/947834235.db2.gz VNFCWCYQKJHLAA-UHFFFAOYSA-N -1 1 424.950 4.028 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccn4)cc3)c3cccc(c23)C1=O ZINC000572297612 947878939 /nfs/dbraw/zinc/87/89/39/947878939.db2.gz GXAYDVGGUQSAMB-UHFFFAOYSA-N -1 1 415.474 4.293 20 0 HIADMM C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000572351467 947888957 /nfs/dbraw/zinc/88/89/57/947888957.db2.gz ZFMXRHJHFNXHSG-JTQLQIEISA-N -1 1 408.289 4.413 20 0 HIADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c(C(F)(F)F)c1 ZINC000572626240 947960189 /nfs/dbraw/zinc/96/01/89/947960189.db2.gz XPPQFFXCRSNDMU-UHFFFAOYSA-N -1 1 412.433 4.091 20 0 HIADMM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000572788828 948010588 /nfs/dbraw/zinc/01/05/88/948010588.db2.gz MEKCCDQFZSSLAG-LLVKDONJSA-N -1 1 423.338 4.130 20 0 HIADMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000573026120 948062213 /nfs/dbraw/zinc/06/22/13/948062213.db2.gz RJSNFHBDHFDHDQ-UHFFFAOYSA-N -1 1 400.525 4.429 20 0 HIADMM COc1ccc(-c2ocnc2C(=O)[N-]c2nnc(SCc3ccccc3)s2)cc1 ZINC000573281575 948140929 /nfs/dbraw/zinc/14/09/29/948140929.db2.gz ZCFQIGGGKGEJLM-UHFFFAOYSA-N -1 1 424.507 4.746 20 0 HIADMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc4nc(C)oc4c3)cc2c1C ZINC000573299447 948151446 /nfs/dbraw/zinc/15/14/46/948151446.db2.gz BPMGGGFVXLWRIZ-UHFFFAOYSA-N -1 1 414.439 4.168 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)c1 ZINC000573530939 948232623 /nfs/dbraw/zinc/23/26/23/948232623.db2.gz TYMOOEORTWXPAL-UHFFFAOYSA-N -1 1 417.437 4.237 20 0 HIADMM O=C1[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)CCN1c1ccc(Cl)cc1Cl ZINC000573766535 948294372 /nfs/dbraw/zinc/29/43/72/948294372.db2.gz ZBCCKLDHEQDCOW-NSHDSACASA-N -1 1 406.241 4.324 20 0 HIADMM Cc1ocnc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n1 ZINC000573787346 948298163 /nfs/dbraw/zinc/29/81/63/948298163.db2.gz YHNYEJFUFKKNJL-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM O=C([O-])C[C@@H](NCc1cncc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC000573940143 948329347 /nfs/dbraw/zinc/32/93/47/948329347.db2.gz FEBZJGPIFZTLIZ-CQSZACIVSA-N -1 1 403.198 4.169 20 0 HIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000574121304 948371474 /nfs/dbraw/zinc/37/14/74/948371474.db2.gz BWVATXURTJNPGL-MRXNPFEDSA-N -1 1 415.465 4.312 20 0 HIADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000574445843 948445858 /nfs/dbraw/zinc/44/58/58/948445858.db2.gz UCZOBJXUBQUATR-SCZZXKLOSA-N -1 1 403.198 4.116 20 0 HIADMM Cc1nc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)n2)co1 ZINC000574486247 948456774 /nfs/dbraw/zinc/45/67/74/948456774.db2.gz WRARWDZHLFUUKR-UHFFFAOYSA-N -1 1 416.846 4.154 20 0 HIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000574678836 948502938 /nfs/dbraw/zinc/50/29/38/948502938.db2.gz WNZCDYMUGHWKTM-UHFFFAOYSA-N -1 1 412.418 4.113 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000574908449 948551461 /nfs/dbraw/zinc/55/14/61/948551461.db2.gz KHADJPCOXYHSJS-ZETCQYMHSA-N -1 1 419.372 4.005 20 0 HIADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436001517 861287773 /nfs/dbraw/zinc/28/77/73/861287773.db2.gz BNJBYPDWUVWCDW-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-c3nccc(C)n3)cc2)c1 ZINC000436007367 861296683 /nfs/dbraw/zinc/29/66/83/861296683.db2.gz XPCVKSZILISVDQ-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c1 ZINC000436015465 861307181 /nfs/dbraw/zinc/30/71/81/861307181.db2.gz VGKUUQZANMWBKG-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000436029999 861322392 /nfs/dbraw/zinc/32/23/92/861322392.db2.gz UAKXUTQIHOUHRH-UHFFFAOYSA-N -1 1 411.321 4.161 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000436042396 861332547 /nfs/dbraw/zinc/33/25/47/861332547.db2.gz OHQFNYQORFWBLT-FCHUYYIVSA-N -1 1 424.497 4.221 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3F)c2C)o1 ZINC000436183879 861485398 /nfs/dbraw/zinc/48/53/98/861485398.db2.gz XGTUFKIDNBFIDW-UHFFFAOYSA-N -1 1 403.357 4.245 20 0 HIADMM Cc1ccc(Sc2ccc(C=CC(=O)c3c([O-])cc(C)oc3=O)cc2[N+](=O)[O-])cc1 ZINC000003334008 845012661 /nfs/dbraw/zinc/01/26/61/845012661.db2.gz HQXHUDLQXXDDHQ-OWLMGLOSSA-N -1 1 423.446 4.283 20 0 HIADMM CN(Cc1ccccc1Cl)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000003569752 845041134 /nfs/dbraw/zinc/04/11/34/845041134.db2.gz VONFZSNAORVJTO-UHFFFAOYSA-N -1 1 414.914 4.413 20 0 HIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)cc3c2N1CCC3 ZINC000005154203 845086222 /nfs/dbraw/zinc/08/62/22/845086222.db2.gz FYXMQRLTZPMWHM-UHFFFAOYSA-N -1 1 418.518 4.380 20 0 HIADMM O=C(Nc1nc2c(s1)CCCC2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000005184756 845087484 /nfs/dbraw/zinc/08/74/84/845087484.db2.gz LXYYLFRPBRAEOE-UHFFFAOYSA-N -1 1 413.524 4.075 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c(O)c1 ZINC000006178407 845181866 /nfs/dbraw/zinc/18/18/66/845181866.db2.gz IALBRGPOPXBGAF-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)c(O)c1 ZINC000006178402 845182082 /nfs/dbraw/zinc/18/20/82/845182082.db2.gz YFKLWISJRSEBKB-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CCc3ccco3)c2)c1 ZINC000008010874 845463107 /nfs/dbraw/zinc/46/31/07/845463107.db2.gz GSPUEYKDPOBXSU-KRWDZBQOSA-N -1 1 412.511 4.140 20 0 HIADMM O=C(NC1CCCC1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000008033332 845464753 /nfs/dbraw/zinc/46/47/53/845464753.db2.gz BGJJWWCBMYCHSL-UHFFFAOYSA-N -1 1 412.433 4.179 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC1CCCCCC1 ZINC000008085474 845472008 /nfs/dbraw/zinc/47/20/08/845472008.db2.gz IXWXGEGRXCDBPI-UHFFFAOYSA-N -1 1 404.507 4.388 20 0 HIADMM CCc1cc2c(COC(=O)c3ccc(OC(F)F)c(OC)c3)cc(=O)oc2cc1[O-] ZINC000008885273 845553170 /nfs/dbraw/zinc/55/31/70/845553170.db2.gz VBJQUZYPEREDJX-UHFFFAOYSA-N -1 1 420.364 4.028 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000009657875 845580280 /nfs/dbraw/zinc/58/02/80/845580280.db2.gz PPKUWKZWLOAAMU-UHFFFAOYSA-N -1 1 422.539 4.463 20 0 HIADMM Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000010444893 845661864 /nfs/dbraw/zinc/66/18/64/845661864.db2.gz CNMKWFYTMFPCPJ-UHFFFAOYSA-N -1 1 424.456 4.324 20 0 HIADMM Cc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n1 ZINC000010555205 845674434 /nfs/dbraw/zinc/67/44/34/845674434.db2.gz DLVCSUMUCZDZCK-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1nc2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)ccc2[nH]1 ZINC000010657167 845688413 /nfs/dbraw/zinc/68/84/13/845688413.db2.gz FYSSLIUPQKFPQJ-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM O=C(Nc1cccc2cccnc21)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000010914070 845726258 /nfs/dbraw/zinc/72/62/58/845726258.db2.gz SFBBZKQKJTVSSD-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 ZINC000010979850 845736212 /nfs/dbraw/zinc/73/62/12/845736212.db2.gz DKXZLDQPEJIMJE-UHFFFAOYSA-N -1 1 422.432 4.496 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@H]3CC3(Cl)Cl)c2)c1 ZINC000011337595 845781918 /nfs/dbraw/zinc/78/19/18/845781918.db2.gz VMYKJSXGYQSPSY-CQSZACIVSA-N -1 1 414.310 4.146 20 0 HIADMM CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000011404249 845790197 /nfs/dbraw/zinc/79/01/97/845790197.db2.gz RULJVMFAMIFATN-UHFFFAOYSA-N -1 1 418.515 4.350 20 0 HIADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000011443637 845797114 /nfs/dbraw/zinc/79/71/14/845797114.db2.gz OAWYYQUDJSHQJE-UHFFFAOYSA-N -1 1 406.722 4.413 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2Oc2cccc(C)c2)c(=O)[n-]1 ZINC000014367198 845941348 /nfs/dbraw/zinc/94/13/48/845941348.db2.gz SLMZSUGBQLXVRG-UHFFFAOYSA-N -1 1 409.511 4.472 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2Oc2ccc(C)cc2)c(=O)[n-]1 ZINC000014366793 845941433 /nfs/dbraw/zinc/94/14/33/845941433.db2.gz LGRBJVHOCYGQDN-UHFFFAOYSA-N -1 1 409.511 4.472 20 0 HIADMM Cc1noc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015092143 846008935 /nfs/dbraw/zinc/00/89/35/846008935.db2.gz MBULINZLPNIHTF-UHFFFAOYSA-N -1 1 419.890 4.306 20 0 HIADMM O=C(NCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015340572 846037062 /nfs/dbraw/zinc/03/70/62/846037062.db2.gz NMORLJYVMRUFNR-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccs2)cc1 ZINC000015385105 846043560 /nfs/dbraw/zinc/04/35/60/846043560.db2.gz GYWNCPRPCXFVLL-UHFFFAOYSA-N -1 1 400.525 4.130 20 0 HIADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000015434028 846048248 /nfs/dbraw/zinc/04/82/48/846048248.db2.gz RDIYAFCJHSFXRH-GASCZTMLSA-N -1 1 406.935 4.259 20 0 HIADMM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000015434105 846048462 /nfs/dbraw/zinc/04/84/62/846048462.db2.gz IRNVBSGWFHAWJM-GASCZTMLSA-N -1 1 406.935 4.259 20 0 HIADMM CN(Cc1ccc(F)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015477655 846051988 /nfs/dbraw/zinc/05/19/88/846051988.db2.gz FUKAPUOKNFRMKN-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM C[C@@H](c1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015542485 846061437 /nfs/dbraw/zinc/06/14/37/846061437.db2.gz JNVLZHJFENOOEY-INIZCTEOSA-N -1 1 412.486 4.460 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(F)ccc3C)cc2)cc1 ZINC000015592112 846069184 /nfs/dbraw/zinc/06/91/84/846069184.db2.gz GSYNSOAODSJMLL-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000015744127 846088952 /nfs/dbraw/zinc/08/89/52/846088952.db2.gz MWKSDCMVORPGQC-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000015797328 846091804 /nfs/dbraw/zinc/09/18/04/846091804.db2.gz HJHDOMASZDASLY-IFXJQAMLSA-N -1 1 404.507 4.243 20 0 HIADMM O=C([N-]NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1cccnc1Cl ZINC000015896826 846102061 /nfs/dbraw/zinc/10/20/61/846102061.db2.gz TWUDUVLPVBWWNP-UHFFFAOYSA-N -1 1 416.264 4.042 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=S)Nc1ccc(Cl)cc1 ZINC000016317176 846151939 /nfs/dbraw/zinc/15/19/39/846151939.db2.gz IAGJVSQYNQIOBT-UHFFFAOYSA-N -1 1 402.932 4.403 20 0 HIADMM COc1cc(/C=C/C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)ccc1O ZINC000016438896 846171705 /nfs/dbraw/zinc/17/17/05/846171705.db2.gz OVCRKRHIZNXEHC-WLRTZDKTSA-N -1 1 423.490 4.406 20 0 HIADMM O=C(NCc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000016493572 846178744 /nfs/dbraw/zinc/17/87/44/846178744.db2.gz PAXVIRRPFBVJHY-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM Cc1ccnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)c1 ZINC000016493680 846178871 /nfs/dbraw/zinc/17/88/71/846178871.db2.gz KMWBCBMBBLYIII-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N(C)C)cc3)ccc2C)c1 ZINC000016597393 846188198 /nfs/dbraw/zinc/18/81/98/846188198.db2.gz DKEZIOJCSUWXPL-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1C ZINC000016640631 846192841 /nfs/dbraw/zinc/19/28/41/846192841.db2.gz RDAQGUFTEHIMJY-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2)c(C)c1 ZINC000016728728 846202752 /nfs/dbraw/zinc/20/27/52/846202752.db2.gz NGVDODRQCYJVRD-UHFFFAOYSA-N -1 1 412.536 4.354 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000017166718 846235422 /nfs/dbraw/zinc/23/54/22/846235422.db2.gz PIYRZWADHPCZJC-UHFFFAOYSA-N -1 1 406.555 4.397 20 0 HIADMM CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000017334516 846246837 /nfs/dbraw/zinc/24/68/37/846246837.db2.gz CGKWPRXQRCWKRE-UHFFFAOYSA-N -1 1 414.914 4.413 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1C ZINC000017334752 846247422 /nfs/dbraw/zinc/24/74/22/846247422.db2.gz GNIWHAADBDOTFF-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM COc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc(Cl)c1[O-] ZINC000017475350 846254674 /nfs/dbraw/zinc/25/46/74/846254674.db2.gz LGGKRHGLPMFYOX-AWNIVKPZSA-N -1 1 412.858 4.118 20 0 HIADMM Cc1c2cc(F)ccc2oc1C(=O)[N-]NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000018052419 846289567 /nfs/dbraw/zinc/28/95/67/846289567.db2.gz AHAKIANIXGMQJS-CQSZACIVSA-N -1 1 406.413 4.262 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccccc3C)c2)cc1 ZINC000018106904 846296427 /nfs/dbraw/zinc/29/64/27/846296427.db2.gz CPYKLVWWPUSXIW-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM CC1CCC(N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000018147690 846303232 /nfs/dbraw/zinc/30/32/32/846303232.db2.gz SYBOUKZYDGMSRT-UHFFFAOYSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccsc3)ccc2C)cc1 ZINC000018216999 846311522 /nfs/dbraw/zinc/31/15/22/846311522.db2.gz MPKVHDRNFGOQRF-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)c1C ZINC000436348664 861666464 /nfs/dbraw/zinc/66/64/64/861666464.db2.gz AKRKMDYXOYVRCW-WBVHZDCISA-N -1 1 400.544 4.365 20 0 HIADMM CCc1cc2c(COC(=O)c3cc(F)ccc3Br)cc(=O)oc2cc1[O-] ZINC000018966315 846350758 /nfs/dbraw/zinc/35/07/58/846350758.db2.gz VSYDFOZHCJINNO-UHFFFAOYSA-N -1 1 421.218 4.320 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3cccc(Cl)c3Cl)s2)cc1 ZINC000021864132 846504630 /nfs/dbraw/zinc/50/46/30/846504630.db2.gz UYUOVCWRAGSLPF-AWEZNQCLSA-N -1 1 424.309 4.441 20 0 HIADMM COc1ccc(-c2cc3[n-]c(CN(C)Cc4cccc(OC)c4)nc(=O)c3s2)cc1 ZINC000022010518 846520182 /nfs/dbraw/zinc/52/01/82/846520182.db2.gz VVHOOJKRGHXGLM-UHFFFAOYSA-N -1 1 421.522 4.301 20 0 HIADMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000022195080 846543761 /nfs/dbraw/zinc/54/37/61/846543761.db2.gz MIWHQKNMDJKADZ-GFCCVEGCSA-N -1 1 408.738 4.315 20 0 HIADMM O=C([N-]NC(=O)c1ccc(C2SCCCS2)cc1)c1cc(-c2ccccc2)[nH]n1 ZINC000022885933 846633390 /nfs/dbraw/zinc/63/33/90/846633390.db2.gz XTZOBTFJLHGCGE-UHFFFAOYSA-N -1 1 424.551 4.020 20 0 HIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)n1 ZINC000022931046 846639130 /nfs/dbraw/zinc/63/91/30/846639130.db2.gz UZBTVQSXHFTJRH-GFCCVEGCSA-N -1 1 424.364 4.036 20 0 HIADMM O=C(Nc1cccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1)c1cccs1 ZINC000023069764 846656115 /nfs/dbraw/zinc/65/61/15/846656115.db2.gz HTDFBJXZWHYOMN-UHFFFAOYSA-N -1 1 421.430 4.169 20 0 HIADMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1 ZINC000023155510 846665014 /nfs/dbraw/zinc/66/50/14/846665014.db2.gz SIEAGSANTYKGFZ-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000023623346 846732100 /nfs/dbraw/zinc/73/21/00/846732100.db2.gz LARUTSGKQYBIPZ-UHFFFAOYSA-N -1 1 410.495 4.311 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccco3)c2)c1 ZINC000023710897 846742069 /nfs/dbraw/zinc/74/20/69/846742069.db2.gz ZZWAUWNSBWSTEN-UHFFFAOYSA-N -1 1 418.902 4.314 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)Cc1ccsc1 ZINC000023957867 846763163 /nfs/dbraw/zinc/76/31/63/846763163.db2.gz NYNGTUVAUSSDKO-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000024232225 846804818 /nfs/dbraw/zinc/80/48/18/846804818.db2.gz BSSNBVRQKLXAOL-CGTJXYLNSA-N -1 1 414.575 4.481 20 0 HIADMM C[C@H](c1cccs1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000024237322 846805766 /nfs/dbraw/zinc/80/57/66/846805766.db2.gz FJFSDYQJVFHGFM-OAHLLOKOSA-N -1 1 400.525 4.382 20 0 HIADMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000024427078 846823307 /nfs/dbraw/zinc/82/33/07/846823307.db2.gz QHITWNORIJLBFY-UHFFFAOYSA-N -1 1 401.410 4.036 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCOc2cccc(C)c2)cc1 ZINC000024655395 846849844 /nfs/dbraw/zinc/84/98/44/846849844.db2.gz CFYGOVCYTZRJRG-UHFFFAOYSA-N -1 1 410.543 4.152 20 0 HIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(COc2ccc(F)cc2)o1 ZINC000024767389 846864415 /nfs/dbraw/zinc/86/44/15/846864415.db2.gz SYSLAWLNYPFVRE-UHFFFAOYSA-N -1 1 410.353 4.167 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccn3)c2)c1 ZINC000025320810 846959223 /nfs/dbraw/zinc/95/92/23/846959223.db2.gz LZVGBEYRFKPGFH-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(COC)c2)cc1 ZINC000025335241 846963100 /nfs/dbraw/zinc/96/31/00/846963100.db2.gz KZWRYXMOJUOLRF-UHFFFAOYSA-N -1 1 412.515 4.182 20 0 HIADMM CCCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000025347241 846964169 /nfs/dbraw/zinc/96/41/69/846964169.db2.gz KDHPXXCONOYEOP-INIZCTEOSA-N -1 1 404.532 4.195 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC000025521784 846992028 /nfs/dbraw/zinc/99/20/28/846992028.db2.gz WDGPNXYUESHZQX-UHFFFAOYSA-N -1 1 422.554 4.413 20 0 HIADMM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1ccc(-c2ccccc2)s1 ZINC000025709527 847023990 /nfs/dbraw/zinc/02/39/90/847023990.db2.gz WQYKNRXUNAOHTK-UHFFFAOYSA-N -1 1 407.520 4.449 20 0 HIADMM O=C(NCc1cccs1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000026565899 847170773 /nfs/dbraw/zinc/17/07/73/847170773.db2.gz LMMYTOJGOKLZBL-UHFFFAOYSA-N -1 1 424.906 4.271 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1F ZINC000026936109 847224180 /nfs/dbraw/zinc/22/41/80/847224180.db2.gz JQWLDRHHRGSIJF-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COc1ccc(-c2cc3[n-]c(CN(C)CCOc4ccccc4)nc(=O)c3s2)cc1 ZINC000027347889 847287689 /nfs/dbraw/zinc/28/76/89/847287689.db2.gz JIBGBYGVYXWLCE-UHFFFAOYSA-N -1 1 421.522 4.171 20 0 HIADMM CC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1OC(F)F ZINC000027356082 847288560 /nfs/dbraw/zinc/28/85/60/847288560.db2.gz XZFZVRZJATUZHY-CQSZACIVSA-N -1 1 411.474 4.014 20 0 HIADMM CC(C)(C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000027363245 847290325 /nfs/dbraw/zinc/29/03/25/847290325.db2.gz PACUTURRTXXORB-UHFFFAOYSA-N -1 1 412.914 4.446 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3CCCCC3)cc2)ccc1F ZINC000027624052 847328460 /nfs/dbraw/zinc/32/84/60/847328460.db2.gz KTAOQSZOMUGVKL-UHFFFAOYSA-N -1 1 404.507 4.245 20 0 HIADMM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000027697469 847340487 /nfs/dbraw/zinc/34/04/87/847340487.db2.gz YEPKGVREKRCSBF-MGPUTAFESA-N -1 1 404.507 4.325 20 0 HIADMM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000027706817 847342166 /nfs/dbraw/zinc/34/21/66/847342166.db2.gz HRRNWUNXILTQEG-HRAATJIYSA-N -1 1 416.543 4.195 20 0 HIADMM CC[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000028490694 847426531 /nfs/dbraw/zinc/42/65/31/847426531.db2.gz JNUFYZRHYKVWSL-SFHVURJKSA-N -1 1 404.507 4.340 20 0 HIADMM O=c1cc(CSc2nnc(NCCc3cccs3)s2)c2ccc([O-])cc2o1 ZINC000028695214 847448424 /nfs/dbraw/zinc/44/84/24/847448424.db2.gz VUJWQZSZWNKJSX-UHFFFAOYSA-N -1 1 417.537 4.359 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1cc2ccccc2o1 ZINC000028868340 847470847 /nfs/dbraw/zinc/47/08/47/847470847.db2.gz NHAYKZHFOUICAN-OAHLLOKOSA-N -1 1 421.478 4.120 20 0 HIADMM CCCCC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000029431741 847563415 /nfs/dbraw/zinc/56/34/15/847563415.db2.gz DDVWARGXZBAFJP-AWEZNQCLSA-N -1 1 410.486 4.464 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NCCC1CCCCC1 ZINC000030001354 847667781 /nfs/dbraw/zinc/66/77/81/847667781.db2.gz BOPFAGWPWAFPGB-UHFFFAOYSA-N -1 1 418.534 4.256 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCC[C@H](C)C3)c2)cc1F ZINC000030015298 847669962 /nfs/dbraw/zinc/66/99/62/847669962.db2.gz UPLAPSGUVXHKSG-YOEHRIQHSA-N -1 1 404.507 4.243 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCC[C@H](C)C3)c2)cc1 ZINC000030016626 847671238 /nfs/dbraw/zinc/67/12/38/847671238.db2.gz BQPDABMPMOLJDZ-FUHWJXTLSA-N -1 1 416.543 4.195 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)Nc3ccc(C)c(F)c3)c2)c1 ZINC000030017257 847671402 /nfs/dbraw/zinc/67/14/02/847671402.db2.gz HKHMRWRNNCQOEA-UHFFFAOYSA-N -1 1 424.428 4.362 20 0 HIADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000030381929 847709964 /nfs/dbraw/zinc/70/99/64/847709964.db2.gz UHAIENYRXHARIO-VLIAUNLRSA-N -1 1 422.497 4.416 20 0 HIADMM C[C@@H](N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(C)(C)C ZINC000030424594 847714834 /nfs/dbraw/zinc/71/48/34/847714834.db2.gz LMNFPPTWNDXJLK-CYBMUJFWSA-N -1 1 410.486 4.272 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000436495853 861824958 /nfs/dbraw/zinc/82/49/58/861824958.db2.gz YNFDSLGSEXHJOV-UHFFFAOYSA-N -1 1 402.281 4.210 20 0 HIADMM COc1cccc(C2(F)CCN(C(=O)c3cc(Br)ccc3[O-])CC2)c1 ZINC000436498464 861825507 /nfs/dbraw/zinc/82/55/07/861825507.db2.gz WCSNBSUWEMZNSX-UHFFFAOYSA-N -1 1 408.267 4.264 20 0 HIADMM O=C(/C=C/c1cccnc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000030700149 847761770 /nfs/dbraw/zinc/76/17/70/847761770.db2.gz LRVVWNFLXLJVPM-IZZDOVSWSA-N -1 1 413.886 4.188 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000030995282 847806819 /nfs/dbraw/zinc/80/68/19/847806819.db2.gz JRVYPTOGPXJCOK-UHFFFAOYSA-N -1 1 424.530 4.085 20 0 HIADMM COc1ccc(Cl)cc1C1(CNC(=O)c2ccc(Cl)cc2[O-])CCOCC1 ZINC000436533108 861839202 /nfs/dbraw/zinc/83/92/02/861839202.db2.gz LZCFTUDHKIAMOX-UHFFFAOYSA-N -1 1 410.297 4.186 20 0 HIADMM CO[C@H](C)c1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436518515 861832134 /nfs/dbraw/zinc/83/21/34/861832134.db2.gz YXNKKHBNBGEXJD-OPAMFIHVSA-N -1 1 418.493 4.496 20 0 HIADMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc(Br)ccc1[O-] ZINC000031075400 847819006 /nfs/dbraw/zinc/81/90/06/847819006.db2.gz NNOHXQPUULYLLT-UHFFFAOYSA-N -1 1 404.182 4.326 20 0 HIADMM O=C(N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)C(=O)c1ccc([O-])cc1 ZINC000436526163 861835967 /nfs/dbraw/zinc/83/59/67/861835967.db2.gz PRWCQACBUXGJLL-KRWDZBQOSA-N -1 1 406.251 4.134 20 0 HIADMM COc1ccc([C@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C2CC2)cc1 ZINC000031258668 847852033 /nfs/dbraw/zinc/85/20/33/847852033.db2.gz HQOXAOOUFBPWQO-HXUWFJFHSA-N -1 1 408.527 4.192 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cccs2)cc1 ZINC000031346124 847867897 /nfs/dbraw/zinc/86/78/97/847867897.db2.gz OBNYJEZTQMELBZ-UHFFFAOYSA-N -1 1 402.545 4.117 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000436530798 861838471 /nfs/dbraw/zinc/83/84/71/861838471.db2.gz CNAMQBFRRWEBCE-CYBMUJFWSA-N -1 1 401.825 4.255 20 0 HIADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000031384006 847872664 /nfs/dbraw/zinc/87/26/64/847872664.db2.gz OGDRVABTLLAFFO-KKSFZXQISA-N -1 1 418.534 4.206 20 0 HIADMM COc1cc(C(=O)N(C)Cc2cc(Br)ccc2OC)cc(Cl)c1[O-] ZINC000436532901 861839144 /nfs/dbraw/zinc/83/91/44/861839144.db2.gz HNULAUCBPLSXQV-UHFFFAOYSA-N -1 1 414.683 4.098 20 0 HIADMM COc1ccccc1NC(=O)C1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000031431812 847883678 /nfs/dbraw/zinc/88/36/78/847883678.db2.gz PIFJRHSDBDDVCK-UHFFFAOYSA-N -1 1 404.466 4.045 20 0 HIADMM C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436537167 861841089 /nfs/dbraw/zinc/84/10/89/861841089.db2.gz GIUQOBQADPJDRR-ZDUSSCGKSA-N -1 1 411.408 4.151 20 0 HIADMM CC[C@H](C(=O)N1CCC(NC(=O)c2ccc3ccccc3c2[O-])CC1)c1ccccc1 ZINC000436540817 861842711 /nfs/dbraw/zinc/84/27/11/861842711.db2.gz UIRLNJBQGSPPSY-NRFANRHFSA-N -1 1 416.521 4.460 20 0 HIADMM CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])c2ccccc2O1 ZINC000436543582 861843335 /nfs/dbraw/zinc/84/33/35/861843335.db2.gz MFWCXUUMBLPCIZ-QFIPXVFZSA-N -1 1 418.493 4.258 20 0 HIADMM O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436541147 861843430 /nfs/dbraw/zinc/84/34/30/861843430.db2.gz TXHYTZPWMPQICG-UHFFFAOYSA-N -1 1 407.445 4.111 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)ccc1Br ZINC000031669214 847926516 /nfs/dbraw/zinc/92/65/16/847926516.db2.gz PFLAOBFQPNGNNL-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000031722033 847937654 /nfs/dbraw/zinc/93/76/54/847937654.db2.gz MHIFGDIIMLHQAV-UHFFFAOYSA-N -1 1 408.523 4.222 20 0 HIADMM Cc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000031786616 847949193 /nfs/dbraw/zinc/94/91/93/847949193.db2.gz OIZMKRXESBTMEW-UHFFFAOYSA-N -1 1 419.528 4.041 20 0 HIADMM Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3ccc4ccccc4c3[O-])no2)cn1 ZINC000436552393 861848886 /nfs/dbraw/zinc/84/88/86/861848886.db2.gz CCNZOYDNBONAJT-IBGZPJMESA-N -1 1 417.469 4.086 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1 ZINC000031940846 847968191 /nfs/dbraw/zinc/96/81/91/847968191.db2.gz DTGQBBNGHZQYNY-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM CC(C)(C)c1nc(CN2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cs1 ZINC000436559935 861851399 /nfs/dbraw/zinc/85/13/99/861851399.db2.gz AUCHEMLNVXCOQE-UHFFFAOYSA-N -1 1 409.555 4.257 20 0 HIADMM O=C(Nc1ccc(-c2nc(-c3ccc(F)cn3)no2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436560168 861851504 /nfs/dbraw/zinc/85/15/04/861851504.db2.gz BUCSWXGJBISROI-UHFFFAOYSA-N -1 1 412.327 4.174 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1)c1ccccc1 ZINC000032370128 848014140 /nfs/dbraw/zinc/01/41/40/848014140.db2.gz PBWUMPHOJHVDGD-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM CC(C)CCN(CCC(C)C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000032368255 848014600 /nfs/dbraw/zinc/01/46/00/848014600.db2.gz LOKRNSTWSXYVCJ-UHFFFAOYSA-N -1 1 417.575 4.417 20 0 HIADMM Cc1cccc2c1N(C(=O)c1ccc(NC(=O)c3cc(F)cc(F)c3)cc1[O-])CC2 ZINC000436570519 861856128 /nfs/dbraw/zinc/85/61/28/861856128.db2.gz ABKTYWHKBDGCCX-UHFFFAOYSA-N -1 1 408.404 4.434 20 0 HIADMM C[C@@H]1C[C@H]1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000032393675 848017996 /nfs/dbraw/zinc/01/79/96/848017996.db2.gz YDRQJRFECSNSGM-YPMHNXCESA-N -1 1 413.326 4.180 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3C[C@H]3C)c2)cc1C ZINC000032394057 848018182 /nfs/dbraw/zinc/01/81/82/848018182.db2.gz LYUXYBPSHDKCFU-CABCVRRESA-N -1 1 406.935 4.143 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000032419159 848023127 /nfs/dbraw/zinc/02/31/27/848023127.db2.gz ZRAQCOHFVNTNKJ-IRXDYDNUSA-N -1 1 402.564 4.337 20 0 HIADMM CC(C)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436576305 861857683 /nfs/dbraw/zinc/85/76/83/861857683.db2.gz QFTFSXCPQRADLA-CQSZACIVSA-N -1 1 402.441 4.431 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(=O)c2ccco2)cc1C ZINC000032595274 848051103 /nfs/dbraw/zinc/05/11/03/848051103.db2.gz DNJCUCCRRSEWBE-UHFFFAOYSA-N -1 1 420.874 4.303 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000032595402 848051175 /nfs/dbraw/zinc/05/11/75/848051175.db2.gz BWJNRUDGWRPZAM-UHFFFAOYSA-N -1 1 401.797 4.345 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])s1 ZINC000436583906 861859843 /nfs/dbraw/zinc/85/98/43/861859843.db2.gz LEJYKDGEEFWKGU-UHFFFAOYSA-N -1 1 403.410 4.248 20 0 HIADMM O=C(N[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1)c1ccc2ccccc2c1 ZINC000436583725 861859862 /nfs/dbraw/zinc/85/98/62/861859862.db2.gz FICIQGVINHUIBW-LJQANCHMSA-N -1 1 408.885 4.233 20 0 HIADMM CCCCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000032630210 848055151 /nfs/dbraw/zinc/05/51/51/848055151.db2.gz AWXGGGPDWQCMIL-UHFFFAOYSA-N -1 1 413.879 4.027 20 0 HIADMM COC(C)(C)CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436586437 861860346 /nfs/dbraw/zinc/86/03/46/861860346.db2.gz MBYWNUQOKOHXOW-UHFFFAOYSA-N -1 1 411.285 4.106 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)o1 ZINC000032673274 848061267 /nfs/dbraw/zinc/06/12/67/848061267.db2.gz VIHMFCGNVHDKMP-UHFFFAOYSA-N -1 1 410.495 4.180 20 0 HIADMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(C(=O)OC)o1 ZINC000032751864 848071635 /nfs/dbraw/zinc/07/16/35/848071635.db2.gz MIEHPIHXZXQGTE-SXGWCWSVSA-N -1 1 419.480 4.373 20 0 HIADMM C[C@@H]1OCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])[C@H]1C ZINC000436597089 861863434 /nfs/dbraw/zinc/86/34/34/861863434.db2.gz OZLIFJBMMWOLTO-RYUDHWBXSA-N -1 1 423.296 4.201 20 0 HIADMM CC(=O)C[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436600319 861864085 /nfs/dbraw/zinc/86/40/85/861864085.db2.gz GITUVXMHOCJBAN-SNVBAGLBSA-N -1 1 409.269 4.049 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2cccs2)o1 ZINC000033163257 848117186 /nfs/dbraw/zinc/11/71/86/848117186.db2.gz GGGWRSLLRKPAEK-UHFFFAOYSA-N -1 1 404.513 4.337 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000033181638 848120848 /nfs/dbraw/zinc/12/08/48/848120848.db2.gz FEMWYCPXEAYNFQ-KDOFPFPSSA-N -1 1 404.507 4.243 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCC[C@H](C)C2)c1 ZINC000033184315 848121971 /nfs/dbraw/zinc/12/19/71/848121971.db2.gz HHFBZBUWDBRZGS-YJBOKZPZSA-N -1 1 400.544 4.413 20 0 HIADMM O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436609820 861868350 /nfs/dbraw/zinc/86/83/50/861868350.db2.gz XHTCNWLKSWNMTF-HXUWFJFHSA-N -1 1 408.885 4.120 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)Cc3ccco3)cc2)cc1C ZINC000033207212 848125402 /nfs/dbraw/zinc/12/54/02/848125402.db2.gz OFJUCZNGLZELPD-KRWDZBQOSA-N -1 1 412.511 4.058 20 0 HIADMM Cc1cc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c(C)o1 ZINC000436609389 861868810 /nfs/dbraw/zinc/86/88/10/861868810.db2.gz IQFJXFNCWSXKHV-VFNWGFHPSA-N -1 1 406.482 4.237 20 0 HIADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000033233335 848130732 /nfs/dbraw/zinc/13/07/32/848130732.db2.gz HMRLMHSHESDPRW-MRXNPFEDSA-N -1 1 412.486 4.460 20 0 HIADMM CC(C)Oc1cc(CN(C(=O)c2ccc(Br)cc2[O-])C2CC2)ccn1 ZINC000436611758 861869460 /nfs/dbraw/zinc/86/94/60/861869460.db2.gz WDJHGQLWUKYCMY-UHFFFAOYSA-N -1 1 405.292 4.142 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc(OC)c3F)n2)cc(Br)c1[O-] ZINC000436610395 861869474 /nfs/dbraw/zinc/86/94/74/861869474.db2.gz TZYZRBNCIVORLF-UHFFFAOYSA-N -1 1 409.211 4.418 20 0 HIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000033711887 848139245 /nfs/dbraw/zinc/13/92/45/848139245.db2.gz UHHMEDRGOMSTBM-UHFFFAOYSA-N -1 1 405.111 4.321 20 0 HIADMM N#CC(=C([O-])c1ccc(N)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041549160 848230874 /nfs/dbraw/zinc/23/08/74/848230874.db2.gz CQPFUBZGBVMFNK-SNVBAGLBSA-N -1 1 406.345 4.296 20 0 HIADMM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1cccs1 ZINC000436678049 861891395 /nfs/dbraw/zinc/89/13/95/861891395.db2.gz AQXJXNOQXGDPES-IBGZPJMESA-N -1 1 422.550 4.306 20 0 HIADMM O=C(NCc1cccc(C(F)(F)F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043075838 848380839 /nfs/dbraw/zinc/38/08/39/848380839.db2.gz VIMNSVCYRKNJCO-UHFFFAOYSA-N -1 1 406.404 4.216 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCC=C(c2ccco2)C1 ZINC000436714796 861901667 /nfs/dbraw/zinc/90/16/67/861901667.db2.gz VEXZITOFCOZULR-OAQYLSRUSA-N -1 1 416.477 4.059 20 0 HIADMM CC(C)c1ccc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(O)c1 ZINC000436727520 861913525 /nfs/dbraw/zinc/91/35/25/861913525.db2.gz ZNJIRTFNHLBUFN-UHFFFAOYSA-N -1 1 424.522 4.246 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(F)c(F)c2)c1 ZINC000044440042 848559283 /nfs/dbraw/zinc/55/92/83/848559283.db2.gz YSOHJLOJDRZLDG-UHFFFAOYSA-N -1 1 402.470 4.243 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1 ZINC000045059963 848628932 /nfs/dbraw/zinc/62/89/32/848628932.db2.gz SSFVHSPNIALZTA-UHFFFAOYSA-N -1 1 402.450 4.315 20 0 HIADMM CN(c1ccccc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000045059900 848629086 /nfs/dbraw/zinc/62/90/86/848629086.db2.gz FMWBTZBQHGNANN-UHFFFAOYSA-N -1 1 415.493 4.290 20 0 HIADMM C[C@@H]1COCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000436742532 861925263 /nfs/dbraw/zinc/92/52/63/861925263.db2.gz VUHKTDILKMLDDN-LBPRGKRZSA-N -1 1 423.296 4.060 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2CC[C@H](F)C2)c([O-])c1)c1cccc(Br)c1 ZINC000436743014 861925338 /nfs/dbraw/zinc/92/53/38/861925338.db2.gz GJISEQFHWIUPTN-UONOGXRCSA-N -1 1 421.266 4.027 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(C)cc2C)cc1 ZINC000045200684 848648162 /nfs/dbraw/zinc/64/81/62/848648162.db2.gz PBIPVLOIOBPUKZ-UHFFFAOYSA-N -1 1 410.543 4.330 20 0 HIADMM O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1ccc(O)cc1[O-] ZINC000436749310 861930962 /nfs/dbraw/zinc/93/09/62/861930962.db2.gz SMSMZKSQSURUIZ-UHFFFAOYSA-N -1 1 408.841 4.093 20 0 HIADMM COc1cc(NC(=O)c2ccccc2[O-])c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC000436755366 861940280 /nfs/dbraw/zinc/94/02/80/861940280.db2.gz LMYUODWLCSPRPT-HUUCEWRRSA-N -1 1 412.486 4.065 20 0 HIADMM O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436757155 861945177 /nfs/dbraw/zinc/94/51/77/861945177.db2.gz HBINUFXPUAKVPS-SFHVURJKSA-N -1 1 417.490 4.398 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])[C@H](C)CO1 ZINC000436760050 861949474 /nfs/dbraw/zinc/94/94/74/861949474.db2.gz LBIKDDAXDQSUEH-VXGBXAGGSA-N -1 1 423.296 4.201 20 0 HIADMM C[C@H](Oc1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588635 848880558 /nfs/dbraw/zinc/88/05/58/848880558.db2.gz ACYZNRLEWZTLTA-HNNXBMFYSA-N -1 1 414.458 4.033 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)ccc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591979 848881624 /nfs/dbraw/zinc/88/16/24/848881624.db2.gz ZEZPXGHGDYJBMZ-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc2ncsc2c1 ZINC000046611641 848886185 /nfs/dbraw/zinc/88/61/85/848886185.db2.gz YFSPJOSSOQZUBC-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000046752643 848926379 /nfs/dbraw/zinc/92/63/79/848926379.db2.gz STVKPEOXDRCCQP-UHFFFAOYSA-N -1 1 400.331 4.111 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(NC(C)=O)cc3)n2)cc(Br)c1[O-] ZINC000436771262 861962461 /nfs/dbraw/zinc/96/24/61/861962461.db2.gz TWOLCPQRIPFHFJ-UHFFFAOYSA-N -1 1 418.247 4.229 20 0 HIADMM CCOc1cc(-c2noc(/C=C/c3cncc(F)c3)n2)cc(Br)c1[O-] ZINC000436771442 861962899 /nfs/dbraw/zinc/96/28/99/861962899.db2.gz VOLHVADWDXDZIU-ONEGZZNKSA-N -1 1 406.211 4.308 20 0 HIADMM CCOc1cc(-c2noc(COc3ccc(OC)cc3)n2)cc(Br)c1[O-] ZINC000436771457 861963586 /nfs/dbraw/zinc/96/35/86/861963586.db2.gz VRQVTVBJIXCHOS-UHFFFAOYSA-N -1 1 421.247 4.191 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc(NC(C)=O)c3)n2)cc(Br)c1[O-] ZINC000436772000 861964158 /nfs/dbraw/zinc/96/41/58/861964158.db2.gz YVBJWQVSWBWFTH-UHFFFAOYSA-N -1 1 418.247 4.229 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3COc4ccccc4C3)n2)cc(Br)c1[O-] ZINC000436771561 861964362 /nfs/dbraw/zinc/96/43/62/861964362.db2.gz WWPFCWHCZBYFRI-ZDUSSCGKSA-N -1 1 417.259 4.322 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1 ZINC000047190233 849002166 /nfs/dbraw/zinc/00/21/66/849002166.db2.gz LDNAUOFTJJGDDJ-AEFFLSMTSA-N -1 1 402.564 4.018 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccncc3)cc2)cc1 ZINC000047278359 849019072 /nfs/dbraw/zinc/01/90/72/849019072.db2.gz NBNCYBCHAIESQM-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM CCc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)sc1C ZINC000047424062 849045064 /nfs/dbraw/zinc/04/50/64/849045064.db2.gz DDRIONFZSFLVEV-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM C[C@@H](CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436782571 861974218 /nfs/dbraw/zinc/97/42/18/861974218.db2.gz JBNPLCOYPIVIIY-FDDCHVKYSA-N -1 1 416.521 4.412 20 0 HIADMM Cc1c(C)c(NC(=O)c2ccc(O)cc2F)ccc1NC(=O)c1ccc([O-])cc1F ZINC000436784123 861976009 /nfs/dbraw/zinc/97/60/09/861976009.db2.gz OULFEVGHPLFRME-UHFFFAOYSA-N -1 1 412.392 4.497 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1C ZINC000047585356 849079073 /nfs/dbraw/zinc/07/90/73/849079073.db2.gz BQYIKGHNSAZCSH-UHFFFAOYSA-N -1 1 418.540 4.253 20 0 HIADMM COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436786259 861978898 /nfs/dbraw/zinc/97/88/98/861978898.db2.gz IOIKRCAVICLIDQ-UHFFFAOYSA-N -1 1 424.428 4.330 20 0 HIADMM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1)c1sccc1Br ZINC000048443504 849222760 /nfs/dbraw/zinc/22/27/60/849222760.db2.gz XHMSIGHGSJDBBJ-UHFFFAOYSA-N -1 1 400.241 4.008 20 0 HIADMM Cc1[nH]c2ccccc2c1CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817475 849271522 /nfs/dbraw/zinc/27/15/22/849271522.db2.gz CBQBQRGNASUIIX-INIZCTEOSA-N -1 1 416.506 4.072 20 0 HIADMM N#C[C@@H](C(=O)CCc1ccc(Cl)s1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048818015 849271614 /nfs/dbraw/zinc/27/16/14/849271614.db2.gz YZKWMJMJBDZGBP-LBPRGKRZSA-N -1 1 417.943 4.387 20 0 HIADMM N#CC(=C([O-])c1ccc(SC(F)F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393877 849308861 /nfs/dbraw/zinc/30/88/61/849308861.db2.gz PPTIAVNOFMPHNQ-AWEZNQCLSA-N -1 1 412.425 4.002 20 0 HIADMM N#CC(=C([O-])c1ccc(SC(F)F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393880 849308937 /nfs/dbraw/zinc/30/89/37/849308937.db2.gz PPTIAVNOFMPHNQ-CQSZACIVSA-N -1 1 412.425 4.002 20 0 HIADMM CCc1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000050577453 849395207 /nfs/dbraw/zinc/39/52/07/849395207.db2.gz LVKFWJVAYXVHFN-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCc1nc(C)c(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000050579055 849395391 /nfs/dbraw/zinc/39/53/91/849395391.db2.gz IXEOPHGQJZDFPG-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000050900908 849419912 /nfs/dbraw/zinc/41/99/12/849419912.db2.gz NXSNBWYZQJQOPB-AEFFLSMTSA-N -1 1 407.628 4.038 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000436837407 862017767 /nfs/dbraw/zinc/01/77/67/862017767.db2.gz OLOYUUNIRLNBQS-AWEZNQCLSA-N -1 1 406.280 4.173 20 0 HIADMM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000052025548 849542563 /nfs/dbraw/zinc/54/25/63/849542563.db2.gz ACZVICYEUDHIIM-UHFFFAOYSA-N -1 1 418.284 4.185 20 0 HIADMM CCc1nc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000436864803 862043525 /nfs/dbraw/zinc/04/35/25/862043525.db2.gz PFUQBIUMAQKVOJ-LIRRHRJNSA-N -1 1 423.538 4.046 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H]2c2ccccc2)cc1 ZINC000053082064 849662292 /nfs/dbraw/zinc/66/22/92/849662292.db2.gz LRFQETNTESHCAW-IBGZPJMESA-N -1 1 408.527 4.370 20 0 HIADMM O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436871903 862047531 /nfs/dbraw/zinc/04/75/31/862047531.db2.gz JHIPHVYZMJWHDC-CQSZACIVSA-N -1 1 419.359 4.160 20 0 HIADMM O=C(Nc1cccc(OC(F)F)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000053433982 849710385 /nfs/dbraw/zinc/71/03/85/849710385.db2.gz XTYKKCVLCGQINF-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM CCOc1cc(-c2noc(Cc3cccc(COC)c3)n2)cc(Br)c1[O-] ZINC000436871763 862048351 /nfs/dbraw/zinc/04/83/51/862048351.db2.gz KWMAJSNMKJKXRD-UHFFFAOYSA-N -1 1 419.275 4.341 20 0 HIADMM CCN(C(=O)c1ccc([O-])cc1F)c1ccc(NC(=O)c2ccc(O)cc2F)cc1 ZINC000436875713 862051412 /nfs/dbraw/zinc/05/14/12/862051412.db2.gz DXCFPVFXAOIRBU-UHFFFAOYSA-N -1 1 412.392 4.295 20 0 HIADMM CCN(C(=O)c1ccc(O)cc1F)c1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000436875713 862051424 /nfs/dbraw/zinc/05/14/24/862051424.db2.gz DXCFPVFXAOIRBU-UHFFFAOYSA-N -1 1 412.392 4.295 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2ccc(Cl)s2)cc1 ZINC000053679734 849744603 /nfs/dbraw/zinc/74/46/03/849744603.db2.gz LITPMZNXAATLDY-UHFFFAOYSA-N -1 1 406.964 4.380 20 0 HIADMM COc1cc(-c2noc(-c3oc(CC(C)C)nc3C)n2)cc(Br)c1[O-] ZINC000436877209 862053723 /nfs/dbraw/zinc/05/37/23/862053723.db2.gz FDQIOMOFCYYQCP-UHFFFAOYSA-N -1 1 408.252 4.375 20 0 HIADMM O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)C(=O)c1ccc([O-])cc1 ZINC000436880041 862057069 /nfs/dbraw/zinc/05/70/69/862057069.db2.gz IERORDQDRGVMHJ-UHFFFAOYSA-N -1 1 406.385 4.280 20 0 HIADMM COc1cc(-c2noc(-c3cncc(C(F)(F)F)c3)n2)cc(Br)c1[O-] ZINC000436879782 862057691 /nfs/dbraw/zinc/05/76/91/862057691.db2.gz OKAHWIFFXBQRCF-UHFFFAOYSA-N -1 1 416.153 4.294 20 0 HIADMM O=C(Cc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1)NCc1ccccc1 ZINC000436885214 862061762 /nfs/dbraw/zinc/06/17/62/862061762.db2.gz GHDVAQDXAJVWNO-UHFFFAOYSA-N -1 1 401.422 4.093 20 0 HIADMM COc1cc(-c2nc(C3(NC(=O)c4ccccc4)CCCC3)no2)cc(Cl)c1[O-] ZINC000436883292 862062070 /nfs/dbraw/zinc/06/20/70/862062070.db2.gz CYJBNUNRUMKMMD-UHFFFAOYSA-N -1 1 413.861 4.304 20 0 HIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436887460 862063646 /nfs/dbraw/zinc/06/36/46/862063646.db2.gz KBUUEJDRQPXSIZ-MRVPVSSYSA-N -1 1 409.330 4.278 20 0 HIADMM C[C@H]1CCCN(c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3Cl)s2)C1 ZINC000055117815 849973226 /nfs/dbraw/zinc/97/32/26/849973226.db2.gz BWIXRSUKBMAAOA-GWCFXTLKSA-N -1 1 400.331 4.052 20 0 HIADMM CCOc1cc(-c2noc(-c3oc(C4CC4)nc3C)n2)cc(Br)c1[O-] ZINC000436908142 862084307 /nfs/dbraw/zinc/08/43/07/862084307.db2.gz HUKWJGIOZXNAHN-UHFFFAOYSA-N -1 1 406.236 4.444 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000055580892 850062256 /nfs/dbraw/zinc/06/22/56/850062256.db2.gz YJWIWCZIKQQXJU-UHFFFAOYSA-N -1 1 418.469 4.059 20 0 HIADMM CCOc1cc(-c2noc(/C=C\c3ncccc3C)n2)cc(Br)c1[O-] ZINC000436909232 862086913 /nfs/dbraw/zinc/08/69/13/862086913.db2.gz LTCPYXJMYWXYHB-SREVYHEPSA-N -1 1 402.248 4.477 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1 ZINC000055594026 850070952 /nfs/dbraw/zinc/07/09/52/850070952.db2.gz KVGUWWNFOBRKPC-UHFFFAOYSA-N -1 1 418.490 4.348 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCOc2cc(C)cc(C)c2)cc1 ZINC000055602344 850076533 /nfs/dbraw/zinc/07/65/33/850076533.db2.gz CZHKSAHEXQPFPA-UHFFFAOYSA-N -1 1 410.543 4.118 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)c2ccccc12 ZINC000055632345 850082620 /nfs/dbraw/zinc/08/26/20/850082620.db2.gz MWAMNZRZYAFVDE-UHFFFAOYSA-N -1 1 412.511 4.178 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1F ZINC000055651272 850096647 /nfs/dbraw/zinc/09/66/47/850096647.db2.gz PVFFMRWXRPZHLF-UHFFFAOYSA-N -1 1 404.507 4.115 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)ccc1OC(C)C ZINC000055650777 850096723 /nfs/dbraw/zinc/09/67/23/850096723.db2.gz YUCHNPJCJFEKIJ-UHFFFAOYSA-N -1 1 416.543 4.209 20 0 HIADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1Cl ZINC000055663311 850102662 /nfs/dbraw/zinc/10/26/62/850102662.db2.gz OYCHIXWPVDXSIB-UHFFFAOYSA-N -1 1 401.315 4.180 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)cc1F ZINC000055663192 850102709 /nfs/dbraw/zinc/10/27/09/850102709.db2.gz VLPVOKXOCXSORV-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000055663604 850102810 /nfs/dbraw/zinc/10/28/10/850102810.db2.gz DJBANOCKBFQSDZ-UHFFFAOYSA-N -1 1 403.262 4.060 20 0 HIADMM O=C(CCc1ccc(OC(F)F)cc1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916421 862096413 /nfs/dbraw/zinc/09/64/13/862096413.db2.gz UAUQBUORLYZVRE-UHFFFAOYSA-N -1 1 408.792 4.003 20 0 HIADMM O=C(CCc1ccc(OC(F)F)cc1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916421 862096414 /nfs/dbraw/zinc/09/64/14/862096414.db2.gz UAUQBUORLYZVRE-UHFFFAOYSA-N -1 1 408.792 4.003 20 0 HIADMM COc1ccc(COc2ccc(-c3noc(-c4ccc(OC)cc4[O-])n3)cn2)cc1 ZINC000436918585 862098999 /nfs/dbraw/zinc/09/89/99/862098999.db2.gz HPBVPOWSKUNGCT-UHFFFAOYSA-N -1 1 405.410 4.100 20 0 HIADMM CC(C)(C)O[C@@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1 ZINC000436917291 862099377 /nfs/dbraw/zinc/09/93/77/862099377.db2.gz CSADRHJZNFPRAB-MRXNPFEDSA-N -1 1 400.866 4.326 20 0 HIADMM CC(C)(C)O[C@@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccccc1 ZINC000436917291 862099384 /nfs/dbraw/zinc/09/93/84/862099384.db2.gz CSADRHJZNFPRAB-MRXNPFEDSA-N -1 1 400.866 4.326 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(F)cc1C(F)(F)F ZINC000436921569 862102476 /nfs/dbraw/zinc/10/24/76/862102476.db2.gz VZNCQQUEXOMMMG-UHFFFAOYSA-N -1 1 400.719 4.241 20 0 HIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc(F)cc1C(F)(F)F ZINC000436921569 862102497 /nfs/dbraw/zinc/10/24/97/862102497.db2.gz VZNCQQUEXOMMMG-UHFFFAOYSA-N -1 1 400.719 4.241 20 0 HIADMM O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)c1ccc([O-])cc1 ZINC000436923731 862102841 /nfs/dbraw/zinc/10/28/41/862102841.db2.gz DVUJQDAFCHTSQV-UHFFFAOYSA-N -1 1 406.385 4.034 20 0 HIADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000056097900 850243962 /nfs/dbraw/zinc/24/39/62/850243962.db2.gz NHCYMSDZJQHHDM-INIZCTEOSA-N -1 1 410.326 4.103 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(OCc4ccccc4)nc3)no2)c1 ZINC000436934985 862112768 /nfs/dbraw/zinc/11/27/68/862112768.db2.gz VATMPOHVIZFQOU-UHFFFAOYSA-N -1 1 402.410 4.042 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000436947459 862124737 /nfs/dbraw/zinc/12/47/37/862124737.db2.gz DUPRBFOUWFJYAI-UHFFFAOYSA-N -1 1 407.314 4.104 20 0 HIADMM O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1)c1ccccc1 ZINC000436953729 862133743 /nfs/dbraw/zinc/13/37/43/862133743.db2.gz RRUYSKWJQZLDBX-HNNXBMFYSA-N -1 1 424.888 4.041 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@@H]1CCc2cc(C)ccc21 ZINC000056842095 850500022 /nfs/dbraw/zinc/50/00/22/850500022.db2.gz RLELMEWFQUVIGO-GOSISDBHSA-N -1 1 406.511 4.058 20 0 HIADMM O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cc(Br)ccc1[O-] ZINC000436956465 862136546 /nfs/dbraw/zinc/13/65/46/862136546.db2.gz MPUWOHWXDRIVDT-UHFFFAOYSA-N -1 1 415.287 4.096 20 0 HIADMM O=C(CCOc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931706 850518703 /nfs/dbraw/zinc/51/87/03/850518703.db2.gz CLKADURUFSKNJK-UHFFFAOYSA-N -1 1 414.458 4.034 20 0 HIADMM CCOc1ccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1Cl ZINC000436958486 862138267 /nfs/dbraw/zinc/13/82/67/862138267.db2.gz HMNPJTYZIUNTOO-UHFFFAOYSA-N -1 1 415.833 4.245 20 0 HIADMM COc1cc(-c2noc(-c3cc4cc(Cl)ccn4n3)n2)cc(Br)c1[O-] ZINC000436957132 862139082 /nfs/dbraw/zinc/13/90/82/862139082.db2.gz SBSLSIZMAPHFSL-UHFFFAOYSA-N -1 1 421.638 4.181 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)c2ccccc12 ZINC000057118403 850550996 /nfs/dbraw/zinc/55/09/96/850550996.db2.gz ANBIEUWHIGILOK-UHFFFAOYSA-N -1 1 412.511 4.050 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(CCC(=O)N2CCCC2)cc1 ZINC000057125225 850555153 /nfs/dbraw/zinc/55/51/53/850555153.db2.gz CUKQJWWGWYDHEQ-UHFFFAOYSA-N -1 1 406.935 4.004 20 0 HIADMM O=C(Nc1ccc(O)cc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000057289115 850601580 /nfs/dbraw/zinc/60/15/80/850601580.db2.gz IEHOLDLEWFBGOO-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)ccc1C ZINC000057516293 850656838 /nfs/dbraw/zinc/65/68/38/850656838.db2.gz BDGYTIYIHDIIGP-UHFFFAOYSA-N -1 1 407.495 4.399 20 0 HIADMM Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cc(Br)ccc4[O-])C3)nc2c1 ZINC000436977974 862156260 /nfs/dbraw/zinc/15/62/60/862156260.db2.gz FWXQIQWAAIOCOT-CYBMUJFWSA-N -1 1 414.303 4.359 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCc4ccccc4C3)c2)c1 ZINC000058147665 850772648 /nfs/dbraw/zinc/77/26/48/850772648.db2.gz NCMCHPQYNIOXLK-NRFANRHFSA-N -1 1 420.534 4.083 20 0 HIADMM CC(=O)Nc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1C ZINC000058143795 850772832 /nfs/dbraw/zinc/77/28/32/850772832.db2.gz ZEOCIACHVKALOE-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc(C)o1 ZINC000058177262 850777369 /nfs/dbraw/zinc/77/73/69/850777369.db2.gz IDVPITFEXDXADO-UHFFFAOYSA-N -1 1 420.874 4.303 20 0 HIADMM O=C(Nc1ccc2ncccc2c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000058328897 850802080 /nfs/dbraw/zinc/80/20/80/850802080.db2.gz MMVNLYJUUVDIAV-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CCOc1cc(C)ccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058494199 850839383 /nfs/dbraw/zinc/83/93/83/850839383.db2.gz OIRHAEXCWWRZTI-UHFFFAOYSA-N -1 1 404.271 4.200 20 0 HIADMM CS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000058496404 850840614 /nfs/dbraw/zinc/84/06/14/850840614.db2.gz SZMYSTVEYPRJKQ-UHFFFAOYSA-N -1 1 407.557 4.080 20 0 HIADMM CC(C)[C@H]1N(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1(C)C ZINC000437007996 862181475 /nfs/dbraw/zinc/18/14/75/862181475.db2.gz YOTQSGNKLQRTNP-LJQANCHMSA-N -1 1 402.441 4.429 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1 ZINC000058689716 850889797 /nfs/dbraw/zinc/88/97/97/850889797.db2.gz SOVQBAZULHBULO-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1C(F)(F)F ZINC000060193281 851050441 /nfs/dbraw/zinc/05/04/41/851050441.db2.gz UBKILQPUKVNJHY-UHFFFAOYSA-N -1 1 416.403 4.039 20 0 HIADMM CCCNC(=O)c1cccc(NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)c1 ZINC000060645256 851178253 /nfs/dbraw/zinc/17/82/53/851178253.db2.gz IEDKHELLGDWQJO-UHFFFAOYSA-N -1 1 423.542 4.085 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(-c3csnn3)cc2)cc1 ZINC000061412258 851369363 /nfs/dbraw/zinc/36/93/63/851369363.db2.gz MALHOQRIZDPASM-UHFFFAOYSA-N -1 1 408.512 4.073 20 0 HIADMM O=C(COC(=O)c1ccc(SCc2ccccc2)cc1)[N-]C(=O)c1ccccc1 ZINC000062394114 851541112 /nfs/dbraw/zinc/54/11/12/851541112.db2.gz VDXYPPCCIRFUET-UHFFFAOYSA-N -1 1 405.475 4.092 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(-c2ccc(C)o2)n1 ZINC000062482186 851561608 /nfs/dbraw/zinc/56/16/08/851561608.db2.gz ZPUUZJWQJICJOR-UHFFFAOYSA-N -1 1 420.512 4.220 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3cnc(C(C)(C)C)s3)n2)n[n-]c1=S ZINC000063092595 851614980 /nfs/dbraw/zinc/61/49/80/851614980.db2.gz KKGBLNAWTUUQLE-UHFFFAOYSA-N -1 1 420.589 4.180 20 0 HIADMM Cc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000063111324 851617804 /nfs/dbraw/zinc/61/78/04/851617804.db2.gz ILIBUVXJDHGLCB-UHFFFAOYSA-N -1 1 416.478 4.034 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1 ZINC000063178267 851628376 /nfs/dbraw/zinc/62/83/76/851628376.db2.gz SLNCAGBHXMPBBL-UHFFFAOYSA-N -1 1 415.540 4.093 20 0 HIADMM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)[N-]NC(=O)c1cn(C)c2ccccc12 ZINC000063637005 851731982 /nfs/dbraw/zinc/73/19/82/851731982.db2.gz KCTRKARYZPPHKH-UHFFFAOYSA-N -1 1 418.522 4.302 20 0 HIADMM CC[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CCS1 ZINC000437088825 862280016 /nfs/dbraw/zinc/28/00/16/862280016.db2.gz ZHRXEVLCOMOODN-IBGZPJMESA-N -1 1 418.584 4.072 20 0 HIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063911535 851791833 /nfs/dbraw/zinc/79/18/33/851791833.db2.gz HLANDWOANYUMDA-UHFFFAOYSA-N -1 1 404.385 4.240 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3)nc2)cc1 ZINC000064476283 851907913 /nfs/dbraw/zinc/90/79/13/851907913.db2.gz VGCRCOQQENTMSN-UHFFFAOYSA-N -1 1 411.483 4.332 20 0 HIADMM COc1cc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1cccc2cccnc21 ZINC000064500815 851914664 /nfs/dbraw/zinc/91/46/64/851914664.db2.gz KFYIBWCEWVDCBP-UHFFFAOYSA-N -1 1 403.463 4.047 20 0 HIADMM COc1ccc(Cl)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000064880118 852012022 /nfs/dbraw/zinc/01/20/22/852012022.db2.gz SMJJGOCXHIOOIX-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1ccc(SC(F)(F)F)cc1 ZINC000064937969 852026470 /nfs/dbraw/zinc/02/64/70/852026470.db2.gz WYHYHKDCQOQBQJ-UHFFFAOYSA-N -1 1 413.446 4.344 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COCCc3ccccc3)c2)c1 ZINC000064938627 852027454 /nfs/dbraw/zinc/02/74/54/852027454.db2.gz QRHMCHLTJNVPNR-UHFFFAOYSA-N -1 1 409.507 4.449 20 0 HIADMM COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc(Br)c1[O-] ZINC000065002229 852037706 /nfs/dbraw/zinc/03/77/06/852037706.db2.gz WWZXGFBULXUAKV-MRVPVSSYSA-N -1 1 421.316 4.253 20 0 HIADMM COc1ccccc1N(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000065160092 852081213 /nfs/dbraw/zinc/08/12/13/852081213.db2.gz QMFJHTQETDISMF-UHFFFAOYSA-N -1 1 424.522 4.389 20 0 HIADMM COc1ccccc1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000065160077 852081520 /nfs/dbraw/zinc/08/15/20/852081520.db2.gz VPFSXXHTZZBHIJ-UHFFFAOYSA-N -1 1 410.495 4.081 20 0 HIADMM CCCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000065174578 852084102 /nfs/dbraw/zinc/08/41/02/852084102.db2.gz DPDPFPHEUZAIRF-UHFFFAOYSA-N -1 1 404.532 4.195 20 0 HIADMM Cc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000065613679 852199962 /nfs/dbraw/zinc/19/99/62/852199962.db2.gz CDUXBJUGOHVDGB-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCC(F)(F)F)ccc2C)c1 ZINC000065759159 852246775 /nfs/dbraw/zinc/24/67/75/852246775.db2.gz YJKACDZYUJKAOY-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(Br)cc1[O-] ZINC000066047128 852363726 /nfs/dbraw/zinc/36/37/26/852363726.db2.gz TUMJOZUJVMPAOH-UHFFFAOYSA-N -1 1 414.303 4.250 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)o1 ZINC000068889423 852375971 /nfs/dbraw/zinc/37/59/71/852375971.db2.gz ARIBLOZMOOBIRQ-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000071418989 852405800 /nfs/dbraw/zinc/40/58/00/852405800.db2.gz DSQNZPFXXHDMPW-QMMMGPOBSA-N -1 1 405.829 4.124 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1Br ZINC000071835797 852414530 /nfs/dbraw/zinc/41/45/30/852414530.db2.gz SQSKTHKEVDAZDR-UHFFFAOYSA-N -1 1 417.284 4.277 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)c3ccncc3)cc2)c1 ZINC000071939449 852438368 /nfs/dbraw/zinc/43/83/68/852438368.db2.gz JAPBTJKBKFRSKI-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)[nH]n3)c2)cc1 ZINC000071962714 852448150 /nfs/dbraw/zinc/44/81/50/852448150.db2.gz LCDSIJATXWQTKV-UHFFFAOYSA-N -1 1 412.515 4.114 20 0 HIADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000071999108 852456597 /nfs/dbraw/zinc/45/65/97/852456597.db2.gz XFWQVWTWEMIOGL-TYCQWZJGSA-N -1 1 415.559 4.073 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCCCc2ccccc21 ZINC000078403544 852513159 /nfs/dbraw/zinc/51/31/59/852513159.db2.gz XVJKVWVIQYXWFJ-UHFFFAOYSA-N -1 1 406.507 4.471 20 0 HIADMM CCc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)n1 ZINC000078515333 852518695 /nfs/dbraw/zinc/51/86/95/852518695.db2.gz IJLDJJDHIJNNHN-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1 ZINC000097028914 852575121 /nfs/dbraw/zinc/57/51/21/852575121.db2.gz YJTOUSBIAFBJRU-UHFFFAOYSA-N -1 1 419.456 4.405 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000097091354 852581986 /nfs/dbraw/zinc/58/19/86/852581986.db2.gz XQVNTKNXIMQYCY-UHFFFAOYSA-N -1 1 410.543 4.005 20 0 HIADMM CCn1c(CCNC(=O)CSc2cccc3cccc(Cl)c32)n[n-]c1=S ZINC000097552902 852630255 /nfs/dbraw/zinc/63/02/55/852630255.db2.gz ZZJNLWBWNFTWHC-UHFFFAOYSA-N -1 1 406.964 4.218 20 0 HIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2sccc2Br)CC1 ZINC000097555108 852631399 /nfs/dbraw/zinc/63/13/99/852631399.db2.gz LCLUWKHOUQZFCN-UHFFFAOYSA-N -1 1 415.382 4.365 20 0 HIADMM CC(C)n1c(C2CCN(C(=O)Cc3c[nH]c4cc(F)ccc34)CC2)n[n-]c1=S ZINC000097555148 852631480 /nfs/dbraw/zinc/63/14/80/852631480.db2.gz IYOAIPCMXVJZMC-UHFFFAOYSA-N -1 1 401.511 4.091 20 0 HIADMM Cn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)C1 ZINC000097570032 852632422 /nfs/dbraw/zinc/63/24/22/852632422.db2.gz LPHLTDYFYPRJNE-LLVKDONJSA-N -1 1 419.963 4.274 20 0 HIADMM CCNc1nc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)nc2ccccc21 ZINC000097577894 852638231 /nfs/dbraw/zinc/63/82/31/852638231.db2.gz HTQXXAAPYDFEDB-UHFFFAOYSA-N -1 1 415.482 4.047 20 0 HIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3cc(F)ccc23)c([O-])c1 ZINC000097597210 852642158 /nfs/dbraw/zinc/64/21/58/852642158.db2.gz ZSQPQMLPFZUFRV-UHFFFAOYSA-N -1 1 413.449 4.332 20 0 HIADMM O=C(NCc1ccsc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000106299165 852769183 /nfs/dbraw/zinc/76/91/83/852769183.db2.gz ISZSUZGZBKOFTG-UHFFFAOYSA-N -1 1 406.916 4.132 20 0 HIADMM O=C(NCc1ccsc1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000106316841 852770225 /nfs/dbraw/zinc/77/02/25/852770225.db2.gz KIZVJZFLJFRWQI-UHFFFAOYSA-N -1 1 424.906 4.271 20 0 HIADMM Cc1ccc(C(=O)CCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000107539766 852773939 /nfs/dbraw/zinc/77/39/39/852773939.db2.gz JHGHTOMZQJFMPS-UHFFFAOYSA-N -1 1 422.506 4.397 20 0 HIADMM Cc1ccc(Sc2ccc(C=CC(=O)c3c([O-])cc(C)oc3=O)cc2[N+](=O)[O-])cc1 ZINC000108001012 852816276 /nfs/dbraw/zinc/81/62/76/852816276.db2.gz HQXHUDLQXXDDHQ-CTTRRDQISA-N -1 1 423.446 4.283 20 0 HIADMM O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110016157 853048416 /nfs/dbraw/zinc/04/84/16/853048416.db2.gz VOMPUOYLUGMFIY-QFIPXVFZSA-N -1 1 411.461 4.337 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1Cl ZINC000110027541 853050324 /nfs/dbraw/zinc/05/03/24/853050324.db2.gz DHZBSGWJKXBJOF-UHFFFAOYSA-N -1 1 410.904 4.185 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(Cl)nc1Cl ZINC000110209836 853074098 /nfs/dbraw/zinc/07/40/98/853074098.db2.gz JYMKZGYBMBONOE-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM O=C(NCc1ccc(Cl)s1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110227679 853076233 /nfs/dbraw/zinc/07/62/33/853076233.db2.gz HXZVOTDZMATLTQ-QGZVFWFLSA-N -1 1 414.914 4.181 20 0 HIADMM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000110701649 853140543 /nfs/dbraw/zinc/14/05/43/853140543.db2.gz LASRFRNWZBQHNL-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000110776673 853151907 /nfs/dbraw/zinc/15/19/07/853151907.db2.gz FAZXHWPHOCCQEH-QAPCUYQASA-N -1 1 402.564 4.481 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(=O)[n-]1 ZINC000115436783 853251829 /nfs/dbraw/zinc/25/18/29/853251829.db2.gz JNZKCIPVPVTBGJ-UHFFFAOYSA-N -1 1 417.550 4.233 20 0 HIADMM CCOc1c(Cl)cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1OC ZINC000115495168 853252833 /nfs/dbraw/zinc/25/28/33/853252833.db2.gz PUKXOEQJCQGFOC-UHFFFAOYSA-N -1 1 417.889 4.188 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000115897371 853270026 /nfs/dbraw/zinc/27/00/26/853270026.db2.gz SJARESWHHITBFM-UHFFFAOYSA-N -1 1 416.421 4.032 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(F)(F)c1ccccc1 ZINC000116237722 853293137 /nfs/dbraw/zinc/29/31/37/853293137.db2.gz GPAAQKJCZGTGAO-UHFFFAOYSA-N -1 1 420.412 4.357 20 0 HIADMM CCC(CC)[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cccs1 ZINC000116575628 853317334 /nfs/dbraw/zinc/31/73/34/853317334.db2.gz DCBWNFQFTCJKKE-NRFANRHFSA-N -1 1 424.570 4.428 20 0 HIADMM CSCCCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000134856766 853374165 /nfs/dbraw/zinc/37/41/65/853374165.db2.gz LACPEYJBLDOMNA-UHFFFAOYSA-N -1 1 407.182 4.177 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(Br)c1)c1cccc(Br)c1 ZINC000135356267 853374902 /nfs/dbraw/zinc/37/49/02/853374902.db2.gz PSGMLXAQARGCES-UHFFFAOYSA-N -1 1 409.074 4.152 20 0 HIADMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)c(=O)o1 ZINC000138357034 853384146 /nfs/dbraw/zinc/38/41/46/853384146.db2.gz BSGLUOPIAACRAT-OTOIZHKDSA-N -1 1 412.445 4.076 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000142089548 853487279 /nfs/dbraw/zinc/48/72/79/853487279.db2.gz BFUBACBDYZVPPF-IBGZPJMESA-N -1 1 408.527 4.376 20 0 HIADMM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(COc3ccc(C)cc3C)o2)c1 ZINC000149755073 853630685 /nfs/dbraw/zinc/63/06/85/853630685.db2.gz QYZGCABFRXGYQF-HXUWFJFHSA-N -1 1 418.449 4.445 20 0 HIADMM CCN(CC)[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1Cl ZINC000195595977 853704626 /nfs/dbraw/zinc/70/46/26/853704626.db2.gz VPZNAOHAEYTXAZ-HNNXBMFYSA-N -1 1 400.828 4.276 20 0 HIADMM C[C@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000195700214 853766156 /nfs/dbraw/zinc/76/61/56/853766156.db2.gz WRWBIOVKKYGPAJ-STQMWFEESA-N -1 1 415.342 4.408 20 0 HIADMM Cc1cccc2c1CCN2C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000195735274 853786111 /nfs/dbraw/zinc/78/61/11/853786111.db2.gz JSAKAHLAVYGJIA-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1cc(F)ccc1Sc1nc[nH]n1 ZINC000207345255 853803061 /nfs/dbraw/zinc/80/30/61/853803061.db2.gz HJGFMAOSGKRWQZ-FPLPWBNLSA-N -1 1 410.883 4.161 20 0 HIADMM O=C(/C=C\c1ccccc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000210193129 853813613 /nfs/dbraw/zinc/81/36/13/853813613.db2.gz CALLDEYNRKIOQR-MLPAPPSSSA-N -1 1 414.433 4.418 20 0 HIADMM COc1ccc([C@H]2CCCN2C(=O)c2cc(Br)ccc2[O-])c(OC)c1 ZINC000215762165 853836995 /nfs/dbraw/zinc/83/69/95/853836995.db2.gz METLGEQZGKUUDQ-MRXNPFEDSA-N -1 1 406.276 4.149 20 0 HIADMM CC[C@@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000215892917 853839594 /nfs/dbraw/zinc/83/95/94/853839594.db2.gz AFQDPEAHQLCXKG-LJQANCHMSA-N -1 1 404.507 4.340 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(I)cc2)cc(Cl)c1[O-] ZINC000215938725 853840374 /nfs/dbraw/zinc/84/03/74/853840374.db2.gz OUOJKCWHYOAKJR-UHFFFAOYSA-N -1 1 417.630 4.301 20 0 HIADMM O=C(Nc1cccc(Br)c1)c1ccc(I)c([O-])c1 ZINC000230885098 853895874 /nfs/dbraw/zinc/89/58/74/853895874.db2.gz IEIZSXNJBJSGTF-UHFFFAOYSA-N -1 1 418.028 4.012 20 0 HIADMM O=C([O-])c1ccc(CCC(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000238031377 854135831 /nfs/dbraw/zinc/13/58/31/854135831.db2.gz DOPYFDLJHAHYJY-UHFFFAOYSA-N -1 1 412.449 4.408 20 0 HIADMM Cc1cc(Br)ccc1NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000261383938 854242162 /nfs/dbraw/zinc/24/21/62/854242162.db2.gz AHKNNUBIHHATHV-UHFFFAOYSA-N -1 1 422.226 4.003 20 0 HIADMM Cc1sc2[nH]c([C@@H](C)Sc3nc(C(F)(F)F)cc(=O)[n-]3)nc(=O)c2c1C ZINC000261395002 854246302 /nfs/dbraw/zinc/24/63/02/854246302.db2.gz IWWIPIDWOSFXFX-SSDOTTSWSA-N -1 1 402.423 4.381 20 0 HIADMM Cc1cc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)n1-c1nccs1 ZINC000261410426 854251540 /nfs/dbraw/zinc/25/15/40/854251540.db2.gz SHNXJTDPZMMURW-UHFFFAOYSA-N -1 1 414.434 4.040 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1 ZINC000261467543 854272238 /nfs/dbraw/zinc/27/22/38/854272238.db2.gz WGGYRVNAQCZDIY-PMERELPUSA-N -1 1 422.506 4.052 20 0 HIADMM Cc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000301325944 854360023 /nfs/dbraw/zinc/36/00/23/854360023.db2.gz YFWXYJIDNXXODE-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCOc1cc2c(cc1OCC)CN(c1ccc(-c3nc(C)c(C)c(=O)[n-]3)cn1)CC2 ZINC000301344819 854365293 /nfs/dbraw/zinc/36/52/93/854365293.db2.gz HLABDTDRWKFELF-UHFFFAOYSA-N -1 1 420.513 4.221 20 0 HIADMM Cc1ccccc1-c1nnc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)o1 ZINC000301378905 854375710 /nfs/dbraw/zinc/37/57/10/854375710.db2.gz ZEBHCFOVUOLREH-UHFFFAOYSA-N -1 1 402.439 4.031 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccc(OCc4ccccn4)cc3)nc2)[n-]c(=O)c1C ZINC000301387872 854379830 /nfs/dbraw/zinc/37/98/30/854379830.db2.gz XZOQOLQUTURMDJ-UHFFFAOYSA-N -1 1 413.481 4.447 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000437302157 862560861 /nfs/dbraw/zinc/56/08/61/862560861.db2.gz ANFZRABFLUBSFL-SWLSCSKDSA-N -1 1 412.342 4.124 20 0 HIADMM Cc1cc(C[C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)n(-c2ccccc2)n1 ZINC000301777261 854463671 /nfs/dbraw/zinc/46/36/71/854463671.db2.gz LSZCVAPXKMLUQB-OAHLLOKOSA-N -1 1 414.513 4.398 20 0 HIADMM Cc1nnc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1[C@@H]1CCC[C@H](C)C1 ZINC000301820695 854471529 /nfs/dbraw/zinc/47/15/29/854471529.db2.gz BDMUNEMIUHPRLM-XJKSGUPXSA-N -1 1 421.530 4.323 20 0 HIADMM Cc1nc(-c2ccc(N3CCC(OCc4ccc(F)cc4)CC3)nc2)[n-]c(=O)c1C ZINC000301928311 854495141 /nfs/dbraw/zinc/49/51/41/854495141.db2.gz MSPKPJIVESCISZ-UHFFFAOYSA-N -1 1 408.477 4.186 20 0 HIADMM Cc1nc(-c2ccc(NCCCc3nc(-c4ccc(F)cc4)no3)nc2)[n-]c(=O)c1C ZINC000302201120 854548675 /nfs/dbraw/zinc/54/86/75/854548675.db2.gz ZHAVVZXKZSJOOB-UHFFFAOYSA-N -1 1 420.448 4.095 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000302893116 854668324 /nfs/dbraw/zinc/66/83/24/854668324.db2.gz WSAPEBVERGAJPL-UHFFFAOYSA-N -1 1 420.538 4.328 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)c3cccnc3)c2)c1 ZINC000302959639 854696207 /nfs/dbraw/zinc/69/62/07/854696207.db2.gz FUEPKENLGUKESC-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM CC[C@H](C)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000303023732 854728007 /nfs/dbraw/zinc/72/80/07/854728007.db2.gz RQCUGZKUGRJIHY-STQMWFEESA-N -1 1 412.914 4.444 20 0 HIADMM CC[C@H](C)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000303023729 854728179 /nfs/dbraw/zinc/72/81/79/854728179.db2.gz RQCUGZKUGRJIHY-QWHCGFSZSA-N -1 1 412.914 4.444 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCOc2ccccc2C(C)(C)C)cc1 ZINC000303300475 854860092 /nfs/dbraw/zinc/86/00/92/854860092.db2.gz CRUOFRQLTZRAQT-UHFFFAOYSA-N -1 1 424.570 4.409 20 0 HIADMM CCCCN(CC(F)(F)F)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000303305156 854862221 /nfs/dbraw/zinc/86/22/21/854862221.db2.gz ZPDYYCWDPONTOL-UHFFFAOYSA-N -1 1 400.470 4.497 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(N2CCCC2)c(F)c1)c1cccc(Br)c1 ZINC000303344522 854884058 /nfs/dbraw/zinc/88/40/58/854884058.db2.gz GAAOYPMZSUDNTO-UHFFFAOYSA-N -1 1 417.275 4.128 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC(C)C)C3CC3)cc2)c1C ZINC000303538201 855023481 /nfs/dbraw/zinc/02/34/81/855023481.db2.gz HJDPUDHUODZSRS-UHFFFAOYSA-N -1 1 400.544 4.365 20 0 HIADMM CCc1cccc2c(CCNC(=O)Cn3c(=S)[n-]nc3-c3cccs3)c[nH]c21 ZINC000303552446 855035957 /nfs/dbraw/zinc/03/59/57/855035957.db2.gz WDDVACXBBZOPHA-UHFFFAOYSA-N -1 1 411.556 4.072 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC3(O)CCCCC3)ccc2C)c1 ZINC000303613012 855077559 /nfs/dbraw/zinc/07/75/59/855077559.db2.gz ZHHMXNUBNQBLET-UHFFFAOYSA-N -1 1 416.543 4.128 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)c3ccccc3)c2)ccc1F ZINC000303638175 855094910 /nfs/dbraw/zinc/09/49/10/855094910.db2.gz QEWSPIYSYHISNX-AREMUKBSSA-N -1 1 403.500 4.243 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](Cc2ccccc2)c2cccs2)c(=O)[n-]1 ZINC000303694802 855138395 /nfs/dbraw/zinc/13/83/95/855138395.db2.gz WCJSYDDLRWSZJM-KRWDZBQOSA-N -1 1 413.568 4.307 20 0 HIADMM CC[C@H](c1ccncc1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000303737113 855162431 /nfs/dbraw/zinc/16/24/31/855162431.db2.gz GZLSOVHIAOQHGZ-OAQYLSRUSA-N -1 1 409.511 4.106 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc4c5c(cccc53)CC4)cc21 ZINC000303756042 855176179 /nfs/dbraw/zinc/17/61/79/855176179.db2.gz JLFWKNJEYOTGJS-UHFFFAOYSA-N -1 1 406.507 4.038 20 0 HIADMM CCCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000303812847 855216425 /nfs/dbraw/zinc/21/64/25/855216425.db2.gz IQQCAPUQFXJZAJ-ZWKOTPCHSA-N -1 1 421.607 4.122 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)C1CC=CC1 ZINC000303821104 855222758 /nfs/dbraw/zinc/22/27/58/855222758.db2.gz KBACHVYHYXLLFN-UHFFFAOYSA-N -1 1 410.417 4.411 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CCC[C@H]3C)cc2)cc1 ZINC000303852097 855247702 /nfs/dbraw/zinc/24/77/02/855247702.db2.gz FVGRDKUXEYSQHU-ZWKOTPCHSA-N -1 1 400.544 4.447 20 0 HIADMM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc(N4CCOC4=O)cc3)ccc21 ZINC000303899640 855276597 /nfs/dbraw/zinc/27/65/97/855276597.db2.gz SPBPGQJZTCLIEE-UHFFFAOYSA-N -1 1 413.499 4.055 20 0 HIADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000303914854 855287590 /nfs/dbraw/zinc/28/75/90/855287590.db2.gz NEBOBOJANFTIOC-JKSUJKDBSA-N -1 1 404.507 4.277 20 0 HIADMM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000303975931 855332680 /nfs/dbraw/zinc/33/26/80/855332680.db2.gz VLMDXOAWIFFHSO-CYBMUJFWSA-N -1 1 423.738 4.327 20 0 HIADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cc1 ZINC000323780839 855396686 /nfs/dbraw/zinc/39/66/86/855396686.db2.gz BQCDFIZWJDVTIV-UHFFFAOYSA-N -1 1 419.684 4.082 20 0 HIADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000391561646 855460105 /nfs/dbraw/zinc/46/01/05/855460105.db2.gz NDYPTHPJJRDPMQ-UHFFFAOYSA-N -1 1 418.334 4.023 20 0 HIADMM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1c(Cl)cc(F)cc1Br ZINC000409904490 855716079 /nfs/dbraw/zinc/71/60/79/855716079.db2.gz FFUNNWQVRCLOED-UHFFFAOYSA-N -1 1 420.678 4.345 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c(=O)[n-]1 ZINC000410281758 855900123 /nfs/dbraw/zinc/90/01/23/855900123.db2.gz BOKKIEBHVXYFEQ-CYBMUJFWSA-N -1 1 414.556 4.146 20 0 HIADMM COc1cccc(Cc2nnc([N-]C(=O)c3nc(-c4ccccc4)oc3C)s2)c1 ZINC000410295916 855912830 /nfs/dbraw/zinc/91/28/30/855912830.db2.gz FNUOBVAHFHTVSV-UHFFFAOYSA-N -1 1 406.467 4.353 20 0 HIADMM Cc1cccc2oc(CC[N-]S(=O)(=O)c3c(Cl)cccc3C(F)(F)F)nc21 ZINC000410319976 855926680 /nfs/dbraw/zinc/92/66/80/855926680.db2.gz YVRUGOLHVXLTEK-UHFFFAOYSA-N -1 1 418.824 4.329 20 0 HIADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccccc1NC(C)(C)C ZINC000410399751 855974389 /nfs/dbraw/zinc/97/43/89/855974389.db2.gz GHFWGBGHJNAUPI-UHFFFAOYSA-N -1 1 413.499 4.033 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)ccc1Br ZINC000410420005 855988111 /nfs/dbraw/zinc/98/81/11/855988111.db2.gz QQKJZDREAUWTOY-UHFFFAOYSA-N -1 1 420.332 4.267 20 0 HIADMM CC(C)Oc1cc(Br)cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000426005857 856043038 /nfs/dbraw/zinc/04/30/38/856043038.db2.gz UFLJEBHYMCXMOM-UHFFFAOYSA-N -1 1 412.305 4.067 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Br)cc(OC(C)C)c2)c1 ZINC000426007589 856043916 /nfs/dbraw/zinc/04/39/16/856043916.db2.gz LUGDMXFJUFOVDQ-UHFFFAOYSA-N -1 1 412.305 4.240 20 0 HIADMM O=C1c2ccccc2N[C@H](c2cc(F)c([O-])c(F)c2)N1Cc1ccc2c(c1)OCO2 ZINC000426082752 856095309 /nfs/dbraw/zinc/09/53/09/856095309.db2.gz AVEZYNAOGJKCHF-NRFANRHFSA-N -1 1 410.376 4.166 20 0 HIADMM Cc1nsc(C)c1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000426607880 856371670 /nfs/dbraw/zinc/37/16/70/856371670.db2.gz MXMARDIEMRBOTA-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM O=C([O-])c1ccccc1CCNCc1csc(COc2ccc(Cl)cc2)n1 ZINC000426644358 856389995 /nfs/dbraw/zinc/38/99/95/856389995.db2.gz CNDPLOFEMAGZEF-UHFFFAOYSA-N -1 1 402.903 4.406 20 0 HIADMM O=C([O-])[C@H](Cc1ccccc1)NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000426694488 856416302 /nfs/dbraw/zinc/41/63/02/856416302.db2.gz IWZPYSVQAJGGIL-SFHVURJKSA-N -1 1 402.903 4.161 20 0 HIADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1Br ZINC000426727063 856437229 /nfs/dbraw/zinc/43/72/29/856437229.db2.gz MJMQLUSFKRFCOG-LJQANCHMSA-N -1 1 414.303 4.249 20 0 HIADMM COc1ccc([C@H](CCC(=O)[O-])NCc2nc3cc(C(F)(F)F)ccc3n2C)cc1 ZINC000426735323 856443276 /nfs/dbraw/zinc/44/32/76/856443276.db2.gz DYSASRSNSPLDTD-INIZCTEOSA-N -1 1 421.419 4.296 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1ccc2nc(C)ccc2c1)C(=O)[O-] ZINC000426735176 856443337 /nfs/dbraw/zinc/44/33/37/856443337.db2.gz SCPDSYUKNNEQHH-LJQANCHMSA-N -1 1 415.287 4.230 20 0 HIADMM CCSc1cccc(CN[C@@H](C(=O)[O-])c2cc(Br)ccc2OC)c1 ZINC000426744636 856448891 /nfs/dbraw/zinc/44/88/91/856448891.db2.gz XLLFEDXLXYJOEA-QGZVFWFLSA-N -1 1 410.333 4.485 20 0 HIADMM O=C([O-])C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000426755802 856458932 /nfs/dbraw/zinc/45/89/32/856458932.db2.gz FZBNNSHSZUFRDA-SFHVURJKSA-N -1 1 407.367 4.336 20 0 HIADMM O=C([O-])C[C@@H](NCc1cc(Cl)cc2cccnc21)c1cnn(-c2ccccc2)c1 ZINC000426762575 856463722 /nfs/dbraw/zinc/46/37/22/856463722.db2.gz LJCGFWSVRBKHKI-HXUWFJFHSA-N -1 1 406.873 4.380 20 0 HIADMM COc1ccccc1[C@@H](NCc1ccc(OCc2ccccc2)c(OC)c1)C(=O)[O-] ZINC000426817541 856495310 /nfs/dbraw/zinc/49/53/10/856495310.db2.gz PGBCPHPGPRIAIV-HSZRJFAPSA-N -1 1 407.466 4.198 20 0 HIADMM O=C([O-])C[C@H](NCc1cnn(-c2ccc(F)cc2)c1)c1cccc(Br)c1 ZINC000426832764 856504455 /nfs/dbraw/zinc/50/44/55/856504455.db2.gz KBHRZCVRMQWXEW-SFHVURJKSA-N -1 1 418.266 4.080 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C[S@](=O)C(C)(C)C)c3)cc2s1 ZINC000427207684 856713620 /nfs/dbraw/zinc/71/36/20/856713620.db2.gz ZCRARAVGFFPVJN-SANMLTNESA-N -1 1 422.597 4.453 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c(C)c1 ZINC000427212604 856716015 /nfs/dbraw/zinc/71/60/15/856716015.db2.gz MKGLMTQHBOXWOD-ZDUSSCGKSA-N -1 1 417.556 4.242 20 0 HIADMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(-c3ncc(C(C)C)o3)cc2)CCCCC1 ZINC000427215205 856716901 /nfs/dbraw/zinc/71/69/01/856716901.db2.gz JCYYZIDVFASRON-UHFFFAOYSA-N -1 1 420.531 4.330 20 0 HIADMM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC000437467627 862829864 /nfs/dbraw/zinc/82/98/64/862829864.db2.gz AFPWRBDAFHWHDK-FOIQADDNSA-N -1 1 420.513 4.386 20 0 HIADMM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000427261847 856742503 /nfs/dbraw/zinc/74/25/03/856742503.db2.gz BJSFLPFNDGPWSG-AUWXTCHYSA-N -1 1 418.795 4.005 20 0 HIADMM CC(C)Oc1ccc(-c2ccc([N-]S(=O)(=O)c3c(Cl)cnn3C)c(F)c2)cc1 ZINC000427293213 856756082 /nfs/dbraw/zinc/75/60/82/856756082.db2.gz YUFGZVMXWUDMBX-UHFFFAOYSA-N -1 1 423.897 4.468 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(cc(C)c(=O)n3C)c2)c2ccccc12 ZINC000427331277 856774660 /nfs/dbraw/zinc/77/46/60/856774660.db2.gz PIEBRTDAUFUBTL-UHFFFAOYSA-N -1 1 422.506 4.200 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H]4CCCC[C@H]4C3)cc2)c1C ZINC000427345990 856783361 /nfs/dbraw/zinc/78/33/61/856783361.db2.gz HJFLOESUNLUAEI-PMACEKPBSA-N -1 1 412.555 4.366 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000427618354 856889712 /nfs/dbraw/zinc/88/97/12/856889712.db2.gz ONPSAHIGXFIGGF-UHFFFAOYSA-N -1 1 423.542 4.194 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccncc4)c(C)c3)cc2C[C@H]1C ZINC000427628467 856892734 /nfs/dbraw/zinc/89/27/34/856892734.db2.gz HTKBUBYLPBXAGX-MRXNPFEDSA-N -1 1 421.522 4.155 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)[C@@H]1CC1(C)C ZINC000428088604 857068386 /nfs/dbraw/zinc/06/83/86/857068386.db2.gz RXZFSDFTCPONTP-QGZVFWFLSA-N -1 1 410.898 4.150 20 0 HIADMM CC[C@H](c1nnc([N-]C(=O)c2nc(-c3cnn(C)c3)oc2C)s1)c1ccccc1 ZINC000437547157 862878986 /nfs/dbraw/zinc/87/89/86/862878986.db2.gz LYZUQJSNYYBILM-HNNXBMFYSA-N -1 1 408.487 4.029 20 0 HIADMM Cc1noc(C[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c2ccccc2)n1 ZINC000428420784 857199546 /nfs/dbraw/zinc/19/95/46/857199546.db2.gz IYVSTMVCGYJATL-LLVKDONJSA-N -1 1 418.327 4.009 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC[C@H]2CCC[C@H]21 ZINC000428522686 857239661 /nfs/dbraw/zinc/23/96/61/857239661.db2.gz NXNUPHDNHPPCKT-AUUYWEPGSA-N -1 1 404.919 4.155 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C3(C)CCCC3)cc2)cc1 ZINC000428675285 857295160 /nfs/dbraw/zinc/29/51/60/857295160.db2.gz ZOWKUKVGQJBJEH-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)NCCC(c2ccccc2)c2ccccc2)n1 ZINC000428701833 857302550 /nfs/dbraw/zinc/30/25/50/857302550.db2.gz PXDMGPPFUSTKEW-UHFFFAOYSA-N -1 1 407.539 4.175 20 0 HIADMM CCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)n1 ZINC000428707302 857304430 /nfs/dbraw/zinc/30/44/30/857304430.db2.gz KOUVLASABQAFTD-UHFFFAOYSA-N -1 1 416.528 4.187 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1 ZINC000428883337 857387450 /nfs/dbraw/zinc/38/74/50/857387450.db2.gz CEQHBKHAPFXGML-INIZCTEOSA-N -1 1 418.877 4.204 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1nc(C2CCCCC2)no1 ZINC000429847020 857909802 /nfs/dbraw/zinc/90/98/02/857909802.db2.gz PICXGVOLQMPEEI-SNVBAGLBSA-N -1 1 404.319 4.464 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1noc(Cc2ccccc2)n1 ZINC000429863146 857916177 /nfs/dbraw/zinc/91/61/77/857916177.db2.gz WOEOUBDCPBYRFA-LLVKDONJSA-N -1 1 412.298 4.007 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1ccc(Br)cc1C(F)(F)F ZINC000429907158 857938975 /nfs/dbraw/zinc/93/89/75/857938975.db2.gz BPVXWOQWQNNDIY-MRVPVSSYSA-N -1 1 422.213 4.182 20 0 HIADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000430448291 858170277 /nfs/dbraw/zinc/17/02/77/858170277.db2.gz OOYXTMYHKVMQJV-RDTXWAMCSA-N -1 1 406.935 4.401 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CC[C@H](C)C3)cc2)cc1 ZINC000430455491 858173950 /nfs/dbraw/zinc/17/39/50/858173950.db2.gz OICMTMFKCQAFAO-LPHOPBHVSA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H]3CC[C@H](C)C3)c2)cc1 ZINC000430465274 858178946 /nfs/dbraw/zinc/17/89/46/858178946.db2.gz GETDGPVBHKCLOU-LPHOPBHVSA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)c2)cc1 ZINC000430465276 858179291 /nfs/dbraw/zinc/17/92/91/858179291.db2.gz GETDGPVBHKCLOU-VQIMIIECSA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)c2)cc1 ZINC000430474189 858186258 /nfs/dbraw/zinc/18/62/58/858186258.db2.gz DOPIPCDNFXDDFN-APWZRJJASA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)c2)cc1F ZINC000430488360 858195320 /nfs/dbraw/zinc/19/53/20/858195320.db2.gz ZSFYSPABEDKSHX-KBXCAEBGSA-N -1 1 404.507 4.196 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc(OC)c1C ZINC000431149247 858471386 /nfs/dbraw/zinc/47/13/86/858471386.db2.gz KJTPZTVNXGGYSG-UHFFFAOYSA-N -1 1 404.513 4.245 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCC3)ccc2Cl)s1 ZINC000431177571 858488845 /nfs/dbraw/zinc/48/88/45/858488845.db2.gz HOQPDEBTURDOGO-UHFFFAOYSA-N -1 1 412.964 4.445 20 0 HIADMM COc1cc(NC(=O)N[C@H](c2ccccc2C)C(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000431200667 858500613 /nfs/dbraw/zinc/50/06/13/858500613.db2.gz ACHCWALGJLOHMQ-LJQANCHMSA-N -1 1 419.547 4.284 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)ccc1C ZINC000431333647 858570080 /nfs/dbraw/zinc/57/00/80/858570080.db2.gz SFSJAJGLZVYSTL-UHFFFAOYSA-N -1 1 420.494 4.093 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1ccc(F)cc1F ZINC000431445149 858618905 /nfs/dbraw/zinc/61/89/05/858618905.db2.gz LNBLDHOGGBBCJN-UHFFFAOYSA-N -1 1 407.008 4.448 20 0 HIADMM CC(C)N(CC1CCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000431554924 858667984 /nfs/dbraw/zinc/66/79/84/858667984.db2.gz CJRUBLATENXLRF-UHFFFAOYSA-N -1 1 404.507 4.277 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431919064 858870250 /nfs/dbraw/zinc/87/02/50/858870250.db2.gz ONUBHDNOZYZHBS-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431919377 858870433 /nfs/dbraw/zinc/87/04/33/858870433.db2.gz PMDRQJLTWOETTJ-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM Cc1nsc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000431995533 858911226 /nfs/dbraw/zinc/91/12/26/858911226.db2.gz MUOONFJTNQPMNW-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)ccc1F ZINC000432058135 858955953 /nfs/dbraw/zinc/95/59/53/858955953.db2.gz UQDKRIXCOTWUOE-UHFFFAOYSA-N -1 1 418.412 4.425 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cc1 ZINC000432059572 858957099 /nfs/dbraw/zinc/95/70/99/858957099.db2.gz HAIBMVSRZHDYNE-UHFFFAOYSA-N -1 1 414.449 4.310 20 0 HIADMM Cc1nc(-c2ccc(NCC[C@@H](c3ccccc3)C(F)(F)F)nc2)[n-]c(=O)c1C ZINC000432178142 859033276 /nfs/dbraw/zinc/03/32/76/859033276.db2.gz SBIOKXLRUATLTE-KRWDZBQOSA-N -1 1 402.420 5.009 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(COC)nc3c2)c2ccccc12 ZINC000432351786 859115956 /nfs/dbraw/zinc/11/59/56/859115956.db2.gz QTNDRYYTMPZDDB-UHFFFAOYSA-N -1 1 412.467 4.327 20 0 HIADMM CC(C)c1nnc(N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000432361601 859121832 /nfs/dbraw/zinc/12/18/32/859121832.db2.gz ZCEURBSVAJFJMR-UHFFFAOYSA-N -1 1 402.545 4.099 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)cc1 ZINC000432497778 859193910 /nfs/dbraw/zinc/19/39/10/859193910.db2.gz ZXZYGBVPXBTSOB-UHFFFAOYSA-N -1 1 411.483 4.254 20 0 HIADMM COC(=O)c1cnc(S[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)[n-]1 ZINC000432668721 859281608 /nfs/dbraw/zinc/28/16/08/859281608.db2.gz ODSWCKMUYLAFQE-ZDUSSCGKSA-N -1 1 402.303 4.259 20 0 HIADMM COC(=O)c1c[n-]c(S[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)n1 ZINC000432668721 859281620 /nfs/dbraw/zinc/28/16/20/859281620.db2.gz ODSWCKMUYLAFQE-ZDUSSCGKSA-N -1 1 402.303 4.259 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OCc3csc(C)n3)cc2)[n-]c1=O ZINC000432696940 859301602 /nfs/dbraw/zinc/30/16/02/859301602.db2.gz QNUNWTGINXZLRW-LCYFTJDESA-N -1 1 411.483 4.263 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2C)cc1C(C)C ZINC000432763489 859343044 /nfs/dbraw/zinc/34/30/44/859343044.db2.gz PKMBTJOWVANQDB-UHFFFAOYSA-N -1 1 418.559 4.374 20 0 HIADMM COc1cc(NC(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)ccc1[N-]S(C)(=O)=O ZINC000432869474 859398450 /nfs/dbraw/zinc/39/84/50/859398450.db2.gz XDSNCCSDWUTCRO-IBGZPJMESA-N -1 1 423.510 4.067 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000433377149 859664684 /nfs/dbraw/zinc/66/46/84/859664684.db2.gz VFCSBJHIXFMSLK-NRFANRHFSA-N -1 1 424.570 4.002 20 0 HIADMM O=S(=O)([N-]CCc1cc2ccccc2[nH]1)c1cc(Br)sc1Cl ZINC000433438885 859704266 /nfs/dbraw/zinc/70/42/66/859704266.db2.gz FGSXUVPWHOBHBJ-UHFFFAOYSA-N -1 1 419.753 4.166 20 0 HIADMM CCC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)C1 ZINC000467659768 881454467 /nfs/dbraw/zinc/45/44/67/881454467.db2.gz QEMUBBASWVMAPC-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)Cc3ccccc3)c2)c1 ZINC000433495962 859734475 /nfs/dbraw/zinc/73/44/75/859734475.db2.gz CFHHENPVUQHKDC-HHHXNRCGSA-N -1 1 413.564 4.499 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)Nc3ccccc3F)cc2)c1 ZINC000433496980 859735236 /nfs/dbraw/zinc/73/52/36/859735236.db2.gz IAJZLENADVWKOK-UHFFFAOYSA-N -1 1 412.486 4.370 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1F ZINC000433602970 859805680 /nfs/dbraw/zinc/80/56/80/859805680.db2.gz IPKVTBAXKSTJQU-UHFFFAOYSA-N -1 1 418.668 4.252 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)c(Cl)c1Cl ZINC000433611998 859809003 /nfs/dbraw/zinc/80/90/03/859809003.db2.gz HVNMQMTWBKBGED-UHFFFAOYSA-N -1 1 416.286 4.403 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc(Br)sc1Cl ZINC000433620465 859813368 /nfs/dbraw/zinc/81/33/68/859813368.db2.gz ZXDQKFMTPMELJX-UHFFFAOYSA-N -1 1 406.632 4.382 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)c1nc(C2CC2)no1 ZINC000433842451 859927993 /nfs/dbraw/zinc/92/79/93/859927993.db2.gz OYHPYWBOHHHPIV-HNNXBMFYSA-N -1 1 411.936 4.491 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3ccc4occ(C)c4c3)c2)n1 ZINC000433851722 859933208 /nfs/dbraw/zinc/93/32/08/859933208.db2.gz DBCQYSCVYXCBTB-UHFFFAOYSA-N -1 1 419.441 4.025 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3cccc(O)c3)c2)cc1 ZINC000433926158 859976405 /nfs/dbraw/zinc/97/64/05/859976405.db2.gz JLOFYULNLCWGAZ-QGZVFWFLSA-N -1 1 424.522 4.335 20 0 HIADMM Cc1ccc(NC(=O)CC[C@@H]2CCOC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000434224317 860209599 /nfs/dbraw/zinc/20/95/99/860209599.db2.gz ARVZWFXUWLSFJW-OAHLLOKOSA-N -1 1 422.934 4.204 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000434254987 860233733 /nfs/dbraw/zinc/23/37/33/860233733.db2.gz GDZIHYCRHDAIAF-UHFFFAOYSA-N -1 1 403.935 4.114 20 0 HIADMM CCSCC[C@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000434284010 860250000 /nfs/dbraw/zinc/25/00/00/860250000.db2.gz VNWGNALSDCARRE-INIZCTEOSA-N -1 1 406.573 4.091 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1C(F)(F)F)c1cc(F)ccc1Br ZINC000435222850 860699222 /nfs/dbraw/zinc/69/92/22/860699222.db2.gz NZWDHLKIZPNFST-UHFFFAOYSA-N -1 1 412.202 4.086 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCOC1)c1c(Cl)cc(F)cc1Cl ZINC000435440253 860799971 /nfs/dbraw/zinc/79/99/71/860799971.db2.gz UYNOYSZIFKGBJX-MLGOLLRUSA-N -1 1 404.290 4.189 20 0 HIADMM Cc1ccc2c(N(C)Cc3cccc([N-]S(=O)(=O)c4ccccc4)c3)ccnc2n1 ZINC000435480848 860813863 /nfs/dbraw/zinc/81/38/63/860813863.db2.gz BJQBTKMSIJWDHG-UHFFFAOYSA-N -1 1 418.522 4.375 20 0 HIADMM O=S(=O)([N-]c1cc2c(cc1Br)CCC2)c1cnccc1C(F)(F)F ZINC000435719236 861003462 /nfs/dbraw/zinc/00/34/62/861003462.db2.gz JYZINXXXVHAELK-UHFFFAOYSA-N -1 1 421.238 4.152 20 0 HIADMM O=C(CC(F)(F)F)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438043450 863403902 /nfs/dbraw/zinc/40/39/02/863403902.db2.gz VHFWTZZNJIMQHC-UHFFFAOYSA-N -1 1 410.776 4.171 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438689588 864156809 /nfs/dbraw/zinc/15/68/09/864156809.db2.gz WJZPMPBGMRVDRV-PZJWPPBQSA-N -1 1 416.525 4.013 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1cccc(Br)c1 ZINC000438715101 864197244 /nfs/dbraw/zinc/19/72/44/864197244.db2.gz GBMQKWHZCDYFOE-UHFFFAOYSA-N -1 1 405.273 4.437 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)cc2)o1 ZINC000438722708 864205808 /nfs/dbraw/zinc/20/58/08/864205808.db2.gz LRKPKJUVZZPVPF-UHFFFAOYSA-N -1 1 401.488 4.195 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1O ZINC000438752947 864244419 /nfs/dbraw/zinc/24/44/19/864244419.db2.gz HJKURINOBSSYTD-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccc(-c4nc[nH]n4)cc3)cc2s1 ZINC000438753600 864245994 /nfs/dbraw/zinc/24/59/94/864245994.db2.gz NVKNLAPSDXLBEG-UHFFFAOYSA-N -1 1 413.528 4.180 20 0 HIADMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000438762946 864257814 /nfs/dbraw/zinc/25/78/14/864257814.db2.gz YBERBFWTEJGHTF-UHFFFAOYSA-N -1 1 417.556 4.031 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(CC(F)(F)F)c3)c3cccc1c23 ZINC000438766224 864260618 /nfs/dbraw/zinc/26/06/18/864260618.db2.gz LUQKWXYLWWXZHT-UHFFFAOYSA-N -1 1 406.385 4.311 20 0 HIADMM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438802894 864294663 /nfs/dbraw/zinc/29/46/63/864294663.db2.gz FGYROBQZANKQCN-OAHLLOKOSA-N -1 1 404.507 4.258 20 0 HIADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000438804766 864296395 /nfs/dbraw/zinc/29/63/95/864296395.db2.gz YCTNRXKEMJXIPF-UHFFFAOYSA-N -1 1 418.540 4.110 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000438814028 864305177 /nfs/dbraw/zinc/30/51/77/864305177.db2.gz NNTSEZJZWMFNIU-UHFFFAOYSA-N -1 1 415.284 4.046 20 0 HIADMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000438838075 864330847 /nfs/dbraw/zinc/33/08/47/864330847.db2.gz KCFSXQXSGTWDOG-UHFFFAOYSA-N -1 1 400.544 4.233 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@@H](C)C3(C)CC3)c2)c1 ZINC000439024601 864478949 /nfs/dbraw/zinc/47/89/49/864478949.db2.gz UTYMUGVXYDJFJM-KRWDZBQOSA-N -1 1 400.544 4.365 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)C3(C)CC3)c2)cc1 ZINC000439027687 864483589 /nfs/dbraw/zinc/48/35/89/864483589.db2.gz OJRMLABPZLINSZ-INIZCTEOSA-N -1 1 416.543 4.147 20 0 HIADMM COc1ccc(NC(=O)C(C)(C)c2ccc(C(C)(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000439056444 864506210 /nfs/dbraw/zinc/50/62/10/864506210.db2.gz HKNAZOWUJKAKLO-UHFFFAOYSA-N -1 1 418.559 4.281 20 0 HIADMM Cc1ccc(-c2nnc([N-]C(=O)c3c(Cl)cccc3S(C)(=O)=O)s2)c(C)c1 ZINC000439123369 864558015 /nfs/dbraw/zinc/55/80/15/864558015.db2.gz KLSIJIJECOHXMG-UHFFFAOYSA-N -1 1 421.931 4.131 20 0 HIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)c2)n1 ZINC000467930411 881804770 /nfs/dbraw/zinc/80/47/70/881804770.db2.gz FGVNFKWCHMCXJA-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C(C)C)cc2)cc1OC ZINC000439466965 864842966 /nfs/dbraw/zinc/84/29/66/864842966.db2.gz IHSWPIFPZCBAHX-UHFFFAOYSA-N -1 1 420.531 4.125 20 0 HIADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1F ZINC000439575811 864897067 /nfs/dbraw/zinc/89/70/67/864897067.db2.gz TUDNTHWCGWAUHM-UHFFFAOYSA-N -1 1 404.507 4.376 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(CC(F)(F)F)C2)c1ccc(C(F)(F)F)cc1 ZINC000440078374 865343371 /nfs/dbraw/zinc/34/33/71/865343371.db2.gz LWJVJXSVORNXHP-UHFFFAOYSA-N -1 1 424.366 4.384 20 0 HIADMM CCc1c([N-]S(=O)(=O)c2ccccc2)n[nH]c1-c1ccc(Br)cc1 ZINC000440105783 865362245 /nfs/dbraw/zinc/36/22/45/865362245.db2.gz RJSPTRPILSVKQQ-UHFFFAOYSA-N -1 1 406.305 4.202 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cc(Cl)c1[O-] ZINC000440129785 865374058 /nfs/dbraw/zinc/37/40/58/865374058.db2.gz HYXMPBOPAMXJMQ-UHFFFAOYSA-N -1 1 402.878 4.145 20 0 HIADMM Cc1ccc(CC[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])o1 ZINC000440281680 865533316 /nfs/dbraw/zinc/53/33/16/865533316.db2.gz KOQIEBGBJOPCRN-OPAMFIHVSA-N -1 1 420.509 4.189 20 0 HIADMM Cc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])o1 ZINC000440281684 865534286 /nfs/dbraw/zinc/53/42/86/865534286.db2.gz KOQIEBGBJOPCRN-ZHRRBRCNSA-N -1 1 420.509 4.189 20 0 HIADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(OCc4cscn4)c3)ccc2O1 ZINC000440293398 865547291 /nfs/dbraw/zinc/54/72/91/865547291.db2.gz PBYCQFUOUVXONQ-UHFFFAOYSA-N -1 1 416.524 4.236 20 0 HIADMM Cc1ccc(Sc2nsc([N-]C(=O)c3cnc(-c4cnn(C)c4)s3)n2)cc1 ZINC000440313705 865583633 /nfs/dbraw/zinc/58/36/33/865583633.db2.gz GQCMMQDUUHDVDH-UHFFFAOYSA-N -1 1 414.541 4.107 20 0 HIADMM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000440405520 865700258 /nfs/dbraw/zinc/70/02/58/865700258.db2.gz NWOSWEJWALTQMO-CABCVRRESA-N -1 1 406.935 4.401 20 0 HIADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000440413506 865710429 /nfs/dbraw/zinc/71/04/29/865710429.db2.gz XHMOCGVQCTYMDY-LSDHHAIUSA-N -1 1 406.935 4.401 20 0 HIADMM COCc1nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c(-c2ccccc2)s1 ZINC000440433897 865734331 /nfs/dbraw/zinc/73/43/31/865734331.db2.gz BUCRYLAHVDMKLO-UHFFFAOYSA-N -1 1 400.407 4.079 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000440690717 865866812 /nfs/dbraw/zinc/86/68/12/865866812.db2.gz FRCCPCRQUPVACW-HNNXBMFYSA-N -1 1 424.563 4.196 20 0 HIADMM CCc1ccc(S(=O)(=O)Nc2cc(Cc3ccccc3)ccc2O)cc1C(=O)[O-] ZINC000440813096 865931078 /nfs/dbraw/zinc/93/10/78/865931078.db2.gz ACAVFPQUVMSSKK-UHFFFAOYSA-N -1 1 411.479 4.044 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000440863028 865962368 /nfs/dbraw/zinc/96/23/68/865962368.db2.gz WQTQLIMQSMEGNY-HOCLYGCPSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(OCc2ccccc2)c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000442240936 867279939 /nfs/dbraw/zinc/27/99/39/867279939.db2.gz JLNATDXXNWVVSU-UHFFFAOYSA-N -1 1 411.479 4.002 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000442832169 867691935 /nfs/dbraw/zinc/69/19/35/867691935.db2.gz CWVNIEUYYRWBME-UHFFFAOYSA-N -1 1 401.937 4.021 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1cccc(Cl)c1F ZINC000442847617 867697227 /nfs/dbraw/zinc/69/72/27/867697227.db2.gz QSZXBMORYFRYIE-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM COc1cc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc(Cl)c1[O-] ZINC000442878018 867712039 /nfs/dbraw/zinc/71/20/39/867712039.db2.gz YELJQRBKWFSLGK-LJQANCHMSA-N -1 1 410.857 4.164 20 0 HIADMM COc1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc(Cl)c1[O-] ZINC000442959969 867765496 /nfs/dbraw/zinc/76/54/96/867765496.db2.gz WPSWPFJMQJORKX-INIZCTEOSA-N -1 1 413.861 4.472 20 0 HIADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1)O[C@@H](C)C2 ZINC000442969346 867770085 /nfs/dbraw/zinc/77/00/85/867770085.db2.gz ROEFPPZZGPYCJC-YLVFBTJISA-N -1 1 417.889 4.062 20 0 HIADMM COc1cc(C(=O)NCc2cc(Oc3ccc(F)cc3)ccn2)cc(Cl)c1[O-] ZINC000442973365 867771166 /nfs/dbraw/zinc/77/11/66/867771166.db2.gz FABUGSVGVZGFAK-UHFFFAOYSA-N -1 1 402.809 4.311 20 0 HIADMM COc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000443063610 867807082 /nfs/dbraw/zinc/80/70/82/867807082.db2.gz ZCFYCTVBIJFWMR-DOTOQJQBSA-N -1 1 413.276 4.022 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2cccc(-c3ccc(C)cc3)c2)c(=O)[n-]1 ZINC000468236020 882128408 /nfs/dbraw/zinc/12/84/08/882128408.db2.gz UOJDJVFACKSTMR-UHFFFAOYSA-N -1 1 407.539 4.437 20 0 HIADMM COc1cc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc(Cl)c1[O-] ZINC000443193838 867869759 /nfs/dbraw/zinc/86/97/59/867869759.db2.gz HJGYKDDRPCXAHC-UHFFFAOYSA-N -1 1 402.834 4.329 20 0 HIADMM COc1cc(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)cc(Cl)c1[O-] ZINC000443197552 867871192 /nfs/dbraw/zinc/87/11/92/867871192.db2.gz QDYZUDNRMBXVLO-UHFFFAOYSA-N -1 1 418.787 4.159 20 0 HIADMM COc1cc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)cc(Cl)c1[O-] ZINC000443204019 867872721 /nfs/dbraw/zinc/87/27/21/867872721.db2.gz NVDLEVZVWFRIHO-UHFFFAOYSA-N -1 1 401.781 4.489 20 0 HIADMM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1c(Cl)cc(Cl)cc1Cl ZINC000443236949 867885238 /nfs/dbraw/zinc/88/52/38/867885238.db2.gz HMDIUFCYGLOUHB-HNNXBMFYSA-N -1 1 408.734 4.439 20 0 HIADMM COc1cc(C(=O)Nc2ccc(F)cc2I)cc(Cl)c1[O-] ZINC000443267407 867886993 /nfs/dbraw/zinc/88/69/93/867886993.db2.gz ALNNAMFYVPSXEN-UHFFFAOYSA-N -1 1 421.593 4.050 20 0 HIADMM COc1cc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)cc(Cl)c1[O-] ZINC000443286637 867889976 /nfs/dbraw/zinc/88/99/76/867889976.db2.gz PYRDYALQTOWQTI-SNVBAGLBSA-N -1 1 414.683 4.014 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc(Cl)c1[O-] ZINC000443334330 867908801 /nfs/dbraw/zinc/90/88/01/867908801.db2.gz LSUIJGJCLQXQMM-UHFFFAOYSA-N -1 1 424.884 4.279 20 0 HIADMM COc1cc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc(Cl)c1[O-] ZINC000443339987 867912823 /nfs/dbraw/zinc/91/28/23/867912823.db2.gz DXFMKEKQMDWNFA-UHFFFAOYSA-N -1 1 419.264 4.170 20 0 HIADMM CCN(Cc1c[nH]c2ccccc12)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000443389423 867949361 /nfs/dbraw/zinc/94/93/61/867949361.db2.gz VFNWKVCBMIVYRQ-UHFFFAOYSA-N -1 1 415.497 4.015 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000443411059 867994120 /nfs/dbraw/zinc/99/41/20/867994120.db2.gz CIGVXTUNPUXTQM-UHFFFAOYSA-N -1 1 402.516 4.405 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(O[C@H]4CCOC4)cc3)c2)n1 ZINC000443414518 868000479 /nfs/dbraw/zinc/00/04/79/868000479.db2.gz OQRDNIGYGBTOQG-SFHVURJKSA-N -1 1 416.524 4.087 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3ccsc32)cc1Br ZINC000443471069 868059538 /nfs/dbraw/zinc/05/95/38/868059538.db2.gz XUMQMGXMPBCFIY-UHFFFAOYSA-N -1 1 412.286 4.163 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N[C@@H](C)c2ccccc2)cc1C(N)=O ZINC000443527554 868085541 /nfs/dbraw/zinc/08/55/41/868085541.db2.gz HDGZOCDRJDKXMV-INIZCTEOSA-N -1 1 409.511 4.068 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@](C)(CC)C3)c2)cc1 ZINC000468251214 882159428 /nfs/dbraw/zinc/15/94/28/882159428.db2.gz PLHYOSGRIUCXER-JOCHJYFZSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCOC[C@@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000443923721 868461307 /nfs/dbraw/zinc/46/13/07/868461307.db2.gz JCHOQLDCFFVXPR-KSSFIOAISA-N -1 1 422.934 4.060 20 0 HIADMM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)C1(C)C ZINC000444339975 868767930 /nfs/dbraw/zinc/76/79/30/868767930.db2.gz HKDGYLRNVUHSGG-RDTXWAMCSA-N -1 1 400.519 4.035 20 0 HIADMM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)s1 ZINC000444352845 868782745 /nfs/dbraw/zinc/78/27/45/868782745.db2.gz PCMIGLHUJALSLP-ZDUSSCGKSA-N -1 1 417.531 4.261 20 0 HIADMM Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444359785 868786959 /nfs/dbraw/zinc/78/69/59/868786959.db2.gz CEBJLQSBGXPPND-UHFFFAOYSA-N -1 1 418.497 4.201 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000444376602 868800368 /nfs/dbraw/zinc/80/03/68/868800368.db2.gz TVFHHEGHFDTOEU-UHFFFAOYSA-N -1 1 421.497 4.056 20 0 HIADMM CCOc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cc1OC ZINC000444377763 868800912 /nfs/dbraw/zinc/80/09/12/868800912.db2.gz YDNHTMFYIHYLRS-UHFFFAOYSA-N -1 1 412.486 4.114 20 0 HIADMM CC(C)(C)OCc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)no1 ZINC000444384623 868802424 /nfs/dbraw/zinc/80/24/24/868802424.db2.gz SIKBFQAEKGQRTF-UHFFFAOYSA-N -1 1 415.490 4.010 20 0 HIADMM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000444415081 868818775 /nfs/dbraw/zinc/81/87/75/868818775.db2.gz WXQHRZDOXWNQHG-APPDUMDISA-N -1 1 410.695 4.410 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3cccc(O)c3)cc2)cc1C ZINC000444456058 868834652 /nfs/dbraw/zinc/83/46/52/868834652.db2.gz MFHSMBMGPVOUTE-KRWDZBQOSA-N -1 1 424.522 4.301 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC34CCC4)cc2)cc1 ZINC000444613450 868906774 /nfs/dbraw/zinc/90/67/74/868906774.db2.gz XRRDMKKMMOIUQC-UHFFFAOYSA-N -1 1 414.527 4.045 20 0 HIADMM COc1cc(NC(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)ccc1[N-]S(C)(=O)=O ZINC000444855376 869058031 /nfs/dbraw/zinc/05/80/31/869058031.db2.gz GCMQDRAWXGGYFG-LSDHHAIUSA-N -1 1 411.568 4.183 20 0 HIADMM CC(C)[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000444919183 869104680 /nfs/dbraw/zinc/10/46/80/869104680.db2.gz CTMYPISBNQVHMM-QGZVFWFLSA-N -1 1 401.532 4.387 20 0 HIADMM Cc1cc(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)cc1O ZINC000444946017 869123152 /nfs/dbraw/zinc/12/31/52/869123152.db2.gz AWIFASDFNCGTJC-UHFFFAOYSA-N -1 1 411.483 4.454 20 0 HIADMM COc1cc(-c2noc(-c3cc4c(s3)CCOC4)n2)cc(Br)c1[O-] ZINC000445388829 869474651 /nfs/dbraw/zinc/47/46/51/869474651.db2.gz AIFLJAMNMHFYCJ-UHFFFAOYSA-N -1 1 409.261 4.015 20 0 HIADMM COc1cc(-c2noc(-c3ccn(-c4ccccc4)n3)n2)cc(Br)c1[O-] ZINC000445391447 869477196 /nfs/dbraw/zinc/47/71/96/869477196.db2.gz KENVZYJOMLBXBX-UHFFFAOYSA-N -1 1 413.231 4.066 20 0 HIADMM COc1cc(-c2noc(CCc3cc(F)ccc3F)n2)cc(Br)c1[O-] ZINC000445392628 869478829 /nfs/dbraw/zinc/47/88/29/869478829.db2.gz NDYYAIITMWWQQT-UHFFFAOYSA-N -1 1 411.202 4.277 20 0 HIADMM COc1cc(-c2noc(/C=C/c3ccc4c(c3)OCO4)n2)cc(Br)c1[O-] ZINC000445394998 869480427 /nfs/dbraw/zinc/48/04/27/869480427.db2.gz SFHFGAAWUIIMKQ-HWKANZROSA-N -1 1 417.215 4.112 20 0 HIADMM COc1cc(-c2noc(CCOc3cccc(C)c3C)n2)cc(Br)c1[O-] ZINC000445396116 869481208 /nfs/dbraw/zinc/48/12/08/869481208.db2.gz ZDQJQPSJSGNAMB-UHFFFAOYSA-N -1 1 419.275 4.452 20 0 HIADMM CCCCn1ncc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1C ZINC000445397781 869482881 /nfs/dbraw/zinc/48/28/81/869482881.db2.gz LZSDDLOFNLPXIG-UHFFFAOYSA-N -1 1 407.268 4.185 20 0 HIADMM COc1cc(-c2noc(-c3ccnc(OC4CCC4)c3)n2)cc(Br)c1[O-] ZINC000445397249 869482904 /nfs/dbraw/zinc/48/29/04/869482904.db2.gz FVCNIIMATOFETG-UHFFFAOYSA-N -1 1 418.247 4.207 20 0 HIADMM COc1cc(-c2noc([C@@H](C)OCc3ccccc3)n2)cc(Br)c1[O-] ZINC000445398836 869484369 /nfs/dbraw/zinc/48/43/69/869484369.db2.gz ZKYRBYNMMVBEDM-LLVKDONJSA-N -1 1 405.248 4.491 20 0 HIADMM COc1cc(-c2noc(CCc3ccc(F)cc3F)n2)cc(Br)c1[O-] ZINC000445398800 869484488 /nfs/dbraw/zinc/48/44/88/869484488.db2.gz ZAQDICQWXQPRLG-UHFFFAOYSA-N -1 1 411.202 4.277 20 0 HIADMM CCOc1cc(-c2noc(-c3cnc(-c4cnn(C)c4)s3)n2)cc(Cl)c1[O-] ZINC000445403357 869488084 /nfs/dbraw/zinc/48/80/84/869488084.db2.gz RWUDJMVMLANTAS-UHFFFAOYSA-N -1 1 403.851 4.018 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc(NC(=O)C4CC4)cc3)n2)cc(Cl)c1[O-] ZINC000445405363 869490999 /nfs/dbraw/zinc/49/09/99/869490999.db2.gz ZANWRRZWCAYUOI-UHFFFAOYSA-N -1 1 413.861 4.434 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CCCN(C(=O)[C@H](C)CC)C3)n2)cc(Cl)c1[O-] ZINC000445406444 869491015 /nfs/dbraw/zinc/49/10/15/869491015.db2.gz JRDUEEHZRKCJMS-OLZOCXBDSA-N -1 1 407.898 4.246 20 0 HIADMM CCOc1cc(-c2noc(-c3cccnc3OCC(F)(F)F)n2)cc(Cl)c1[O-] ZINC000445429098 869513386 /nfs/dbraw/zinc/51/33/86/869513386.db2.gz ZKJYTQPFTKHDNX-UHFFFAOYSA-N -1 1 415.755 4.497 20 0 HIADMM Cn1c(=O)[nH]c2ncc(-c3cccc(-c4nc(-c5ccc([O-])cc5Cl)no4)c3)cc21 ZINC000445443772 869526109 /nfs/dbraw/zinc/52/61/09/869526109.db2.gz DKMNOGXOYHCTDR-UHFFFAOYSA-N -1 1 419.828 4.417 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000445461987 869538069 /nfs/dbraw/zinc/53/80/69/869538069.db2.gz BLYOYZBZOSWTHL-QMMMGPOBSA-N -1 1 404.300 4.144 20 0 HIADMM O=C1c2ccccc2C(=O)N1Cc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445472708 869546318 /nfs/dbraw/zinc/54/63/18/869546318.db2.gz LLENVWXSRNLYCY-UHFFFAOYSA-N -1 1 415.380 4.045 20 0 HIADMM [O-]c1ccc(-c2noc([C@H]3CCCN(c4ncccc4C(F)(F)F)C3)n2)cc1F ZINC000445474301 869547480 /nfs/dbraw/zinc/54/74/80/869547480.db2.gz QAQBQDIOQTUWOW-LBPRGKRZSA-N -1 1 408.355 4.379 20 0 HIADMM O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000445475676 869548862 /nfs/dbraw/zinc/54/88/62/869548862.db2.gz UUPQNPCHVSPOTJ-CQSZACIVSA-N -1 1 401.825 4.255 20 0 HIADMM O=C(c1ccc(Cl)s1)N1CCC(c2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000445480877 869553100 /nfs/dbraw/zinc/55/31/00/869553100.db2.gz LLFKODQKCBNVGC-UHFFFAOYSA-N -1 1 407.854 4.316 20 0 HIADMM [O-]c1ccc(-c2noc(-c3cn(-c4ccc(Br)cc4)cn3)n2)cc1F ZINC000445484968 869555433 /nfs/dbraw/zinc/55/54/33/869555433.db2.gz ZFKSPJDMGYHDEO-UHFFFAOYSA-N -1 1 401.195 4.197 20 0 HIADMM COc1cc(NC(=O)CCCc2csc3ccccc23)ccc1[N-]S(C)(=O)=O ZINC000445529168 869586794 /nfs/dbraw/zinc/58/67/94/869586794.db2.gz QVPZNBQECCTYLZ-UHFFFAOYSA-N -1 1 418.540 4.243 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(C3CCSCC3)no2)cc1)c1ccccc1 ZINC000445547175 869604657 /nfs/dbraw/zinc/60/46/57/869604657.db2.gz GPAIBUQBFIJKSB-UHFFFAOYSA-N -1 1 401.513 4.148 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4cncs4)no3)cc2)cc1C ZINC000445578788 869638213 /nfs/dbraw/zinc/63/82/13/869638213.db2.gz IXBNEHAEIFOHAP-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)o2)no1 ZINC000445589700 869651269 /nfs/dbraw/zinc/65/12/69/869651269.db2.gz WCKHAFOALDNETD-QMMMGPOBSA-N -1 1 421.784 4.041 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccc(Cl)o3)no2)cc1)c1ccccc1 ZINC000445593833 869656741 /nfs/dbraw/zinc/65/67/41/869656741.db2.gz QAPLHAKYSWUEPU-UHFFFAOYSA-N -1 1 401.831 4.451 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4cncs4)no3)cc2)cc1C ZINC000445600772 869665987 /nfs/dbraw/zinc/66/59/87/869665987.db2.gz LJCOGGPUDFOJJQ-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](C(C)C)C2)cc1 ZINC000446513850 870431856 /nfs/dbraw/zinc/43/18/56/870431856.db2.gz HWWGSMIUSHAUCR-KRWDZBQOSA-N -1 1 404.507 4.053 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](C(C)C)C3)cc2)ccc1F ZINC000446522556 870440633 /nfs/dbraw/zinc/44/06/33/870440633.db2.gz QCSMFQFVMFDSHI-QGZVFWFLSA-N -1 1 404.507 4.053 20 0 HIADMM C[C@]1(c2ccccc2)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000446693374 870610683 /nfs/dbraw/zinc/61/06/83/870610683.db2.gz NEFLUAFPFDJMPL-DEOSSOPVSA-N -1 1 420.534 4.291 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(C)n1 ZINC000446705111 870621303 /nfs/dbraw/zinc/62/13/03/870621303.db2.gz GSTIANWIMYZPSQ-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1ccc(NC(=O)c2cccnc2NC(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000468479316 882444528 /nfs/dbraw/zinc/44/45/28/882444528.db2.gz OJMUXYPJYSHKLC-UHFFFAOYSA-N -1 1 424.526 4.263 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2ncc3n2CCCC3)c1)c1ccc2ncsc2c1 ZINC000446959418 870863169 /nfs/dbraw/zinc/86/31/69/870863169.db2.gz JVLLPZBBGISYBU-UHFFFAOYSA-N -1 1 410.524 4.297 20 0 HIADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000446982394 870876638 /nfs/dbraw/zinc/87/66/38/870876638.db2.gz YKYYEJBDRBCRSU-LJQANCHMSA-N -1 1 422.550 4.499 20 0 HIADMM CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000446995332 870882768 /nfs/dbraw/zinc/88/27/68/870882768.db2.gz XRAATVORPIFHLX-UHFFFAOYSA-N -1 1 421.584 4.122 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)c1nc(C2CC2)no1 ZINC000447191059 871083933 /nfs/dbraw/zinc/08/39/33/871083933.db2.gz HAETWIYWRPFZOZ-QGZVFWFLSA-N -1 1 405.907 4.429 20 0 HIADMM CCC1(CC)CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000447386103 871293957 /nfs/dbraw/zinc/29/39/57/871293957.db2.gz PXAROJNJLYVNRY-UHFFFAOYSA-N -1 1 415.559 4.209 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCSC(C)(C)CC2)cc1 ZINC000447639666 871556231 /nfs/dbraw/zinc/55/62/31/871556231.db2.gz DUHCONPURVILRL-UHFFFAOYSA-N -1 1 418.584 4.154 20 0 HIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)c2)n1 ZINC000447784960 871717093 /nfs/dbraw/zinc/71/70/93/871717093.db2.gz COGBUFFXFZCOLW-UHFFFAOYSA-N -1 1 411.380 4.411 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1OC(C)C ZINC000447788948 871723564 /nfs/dbraw/zinc/72/35/64/871723564.db2.gz RYRRMNSBBWVGCZ-UHFFFAOYSA-N -1 1 405.394 4.024 20 0 HIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)n1 ZINC000447790213 871724936 /nfs/dbraw/zinc/72/49/36/871724936.db2.gz ZGQUHVBYFNLAJS-UHFFFAOYSA-N -1 1 411.380 4.411 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(C)=O ZINC000447791093 871724978 /nfs/dbraw/zinc/72/49/78/871724978.db2.gz FZOCGUXRVYRCRM-UHFFFAOYSA-N -1 1 418.412 4.014 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)c2)n1 ZINC000447791997 871727206 /nfs/dbraw/zinc/72/72/06/871727206.db2.gz PYAQPJYVSGJGFZ-UHFFFAOYSA-N -1 1 411.380 4.411 20 0 HIADMM O=S(=O)([N-]Cc1ccc(OC(F)F)cn1)c1c(Cl)cc(Cl)cc1Cl ZINC000447842993 871768000 /nfs/dbraw/zinc/76/80/00/871768000.db2.gz FBPOSKSXKASCLD-UHFFFAOYSA-N -1 1 417.648 4.122 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)cc1 ZINC000448048181 871880126 /nfs/dbraw/zinc/88/01/26/871880126.db2.gz IVZPZDVYPRJCJJ-UHFFFAOYSA-N -1 1 416.543 4.342 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cn3ccnc3C(C)C)c2)c1 ZINC000448113562 871963581 /nfs/dbraw/zinc/96/35/81/871963581.db2.gz LCJCTHXIZUBXQL-UHFFFAOYSA-N -1 1 411.527 4.448 20 0 HIADMM COc1ccc2[nH]c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2c1 ZINC000468540658 882576822 /nfs/dbraw/zinc/57/68/22/882576822.db2.gz CDMGGKOSWAOPDA-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)cc1 ZINC000460431972 873096355 /nfs/dbraw/zinc/09/63/55/873096355.db2.gz XPIPREVFDMGOHV-UHFFFAOYSA-N -1 1 421.421 4.071 20 0 HIADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC000460450789 873125282 /nfs/dbraw/zinc/12/52/82/873125282.db2.gz SWTCBIFEPXFVSP-UHFFFAOYSA-N -1 1 421.421 4.071 20 0 HIADMM C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)cc1 ZINC000460582573 873318983 /nfs/dbraw/zinc/31/89/83/873318983.db2.gz CUUJSZLWZNFMAX-CDHAZOANSA-N -1 1 424.950 4.137 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccc(F)cn4)no3)c2)c1 ZINC000460628023 873370135 /nfs/dbraw/zinc/37/01/35/873370135.db2.gz RWBVORWAAKWBNB-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(CCC(=O)N2CCCC2)cc1 ZINC000460817738 873698422 /nfs/dbraw/zinc/69/84/22/873698422.db2.gz CKEOPKDFENCSFC-UHFFFAOYSA-N -1 1 414.571 4.340 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(Cl)c1Cl ZINC000460826146 873710373 /nfs/dbraw/zinc/71/03/73/873710373.db2.gz DGDREWHTIIDPJR-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCC3)cc1 ZINC000460826858 873712767 /nfs/dbraw/zinc/71/27/67/873712767.db2.gz BRWSNWDQDKZWLF-UHFFFAOYSA-N -1 1 410.543 4.380 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000460829527 873717041 /nfs/dbraw/zinc/71/70/41/873717041.db2.gz IPRAEPYZZDXMMS-UHFFFAOYSA-N -1 1 421.412 4.452 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)c(F)c3)ccc2N1 ZINC000460832724 873721543 /nfs/dbraw/zinc/72/15/43/873721543.db2.gz QRFYXHJQDBEQTI-UHFFFAOYSA-N -1 1 418.490 4.223 20 0 HIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)cc21 ZINC000460834475 873722703 /nfs/dbraw/zinc/72/27/03/873722703.db2.gz VNVAMGQZJITQQE-OAHLLOKOSA-N -1 1 411.527 4.150 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1 ZINC000460835853 873723553 /nfs/dbraw/zinc/72/35/53/873723553.db2.gz NBQRTOASWKNICE-UHFFFAOYSA-N -1 1 414.449 4.074 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000460837737 873727769 /nfs/dbraw/zinc/72/77/69/873727769.db2.gz PKFCMVVUMCBUNR-UHFFFAOYSA-N -1 1 406.935 4.331 20 0 HIADMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1 ZINC000460841554 873732578 /nfs/dbraw/zinc/73/25/78/873732578.db2.gz UDUVBANNRMOFBZ-UHFFFAOYSA-N -1 1 404.513 4.003 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2)cc(C)c1F ZINC000460843727 873736265 /nfs/dbraw/zinc/73/62/65/873736265.db2.gz ZUSFBQWAZAUAID-UHFFFAOYSA-N -1 1 404.507 4.115 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC4(CCC4)[C@@H]3C3CC3)cc2)cc1 ZINC000460976717 873870584 /nfs/dbraw/zinc/87/05/84/873870584.db2.gz FARBMJZPEFYOPJ-NRFANRHFSA-N -1 1 410.539 4.201 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3c2cccc3F)cc1 ZINC000461063781 873944860 /nfs/dbraw/zinc/94/48/60/873944860.db2.gz IYOBRGJIRNVNIP-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000461173439 874148404 /nfs/dbraw/zinc/14/84/04/874148404.db2.gz ZVAGPYLNWZWLGU-KRWDZBQOSA-N -1 1 418.559 4.038 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000461190361 874182887 /nfs/dbraw/zinc/18/28/87/874182887.db2.gz DBXUNDKXXGUMPT-QGZVFWFLSA-N -1 1 418.559 4.038 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000461198442 874198498 /nfs/dbraw/zinc/19/84/98/874198498.db2.gz UTKLXOKRQVJPMO-KRWDZBQOSA-N -1 1 418.559 4.038 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000461202428 874204510 /nfs/dbraw/zinc/20/45/10/874204510.db2.gz PRZUGDYBOIKWKU-KRWDZBQOSA-N -1 1 418.559 4.038 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000461204163 874205898 /nfs/dbraw/zinc/20/58/98/874205898.db2.gz QAKGFPOZBYFKPV-QGZVFWFLSA-N -1 1 418.559 4.038 20 0 HIADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000461211523 874214176 /nfs/dbraw/zinc/21/41/76/874214176.db2.gz VHYXFRJDFSMNSE-UHFFFAOYSA-N -1 1 410.120 4.401 20 0 HIADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2nn1C ZINC000461345529 874353554 /nfs/dbraw/zinc/35/35/54/874353554.db2.gz RGFOTIXZBSAXNH-UHFFFAOYSA-N -1 1 403.813 4.355 20 0 HIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3nn(-c4ccc(F)cc4C)cc3[O-])[nH]c2c1 ZINC000468702489 882821470 /nfs/dbraw/zinc/82/14/70/882821470.db2.gz MAFDHHJQFZIUCE-IBGZPJMESA-N -1 1 419.460 4.187 20 0 HIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3nn(-c4ccc(F)cc4C)cc3[O-])[nH]c2c1 ZINC000468702490 882821511 /nfs/dbraw/zinc/82/15/11/882821511.db2.gz MAFDHHJQFZIUCE-LJQANCHMSA-N -1 1 419.460 4.187 20 0 HIADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000461429244 874467897 /nfs/dbraw/zinc/46/78/97/874467897.db2.gz IOEYDOBLMULYOR-UHFFFAOYSA-N -1 1 409.349 4.282 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000461486515 874547812 /nfs/dbraw/zinc/54/78/12/874547812.db2.gz KSAZPSHCIMKUJD-QRWLVFNGSA-N -1 1 402.491 4.031 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCc3c2cccc3F)c1 ZINC000461748093 874889718 /nfs/dbraw/zinc/88/97/18/874889718.db2.gz QFNWRDNHQPIVSZ-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM CCC[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000462189925 875296507 /nfs/dbraw/zinc/29/65/07/875296507.db2.gz OKKKCBPCNIMVJU-TZMCWYRMSA-N -1 1 408.907 4.221 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000462541133 875662482 /nfs/dbraw/zinc/66/24/82/875662482.db2.gz YVUPXGGVLGIOGT-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)Oc1ccccc1F ZINC000462707926 875791217 /nfs/dbraw/zinc/79/12/17/875791217.db2.gz VTFNLNGQDUTSDC-JTQLQIEISA-N -1 1 411.804 4.244 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1Cl ZINC000463505892 876566715 /nfs/dbraw/zinc/56/67/15/876566715.db2.gz PWOKBXLHFKNHFI-UHFFFAOYSA-N -1 1 412.964 4.391 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)cc1 ZINC000463517746 876582925 /nfs/dbraw/zinc/58/29/25/876582925.db2.gz QCHPIDHRDKRXEZ-UHFFFAOYSA-N -1 1 412.964 4.345 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)cc1Cl ZINC000463529911 876605598 /nfs/dbraw/zinc/60/55/98/876605598.db2.gz ZTNGNKFZRMYUPK-UHFFFAOYSA-N -1 1 424.975 4.407 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1Cl ZINC000463532271 876609455 /nfs/dbraw/zinc/60/94/55/876609455.db2.gz MVHUPQSDAPQCIU-UHFFFAOYSA-N -1 1 413.952 4.393 20 0 HIADMM CC[C@]1(C)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)C1 ZINC000469018538 883086601 /nfs/dbraw/zinc/08/66/01/883086601.db2.gz MRDVOANZEYVASL-OAQYLSRUSA-N -1 1 404.507 4.197 20 0 HIADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000463904696 877026547 /nfs/dbraw/zinc/02/65/47/877026547.db2.gz FAYQQPQPKZGHJK-ZIAGYGMSSA-N -1 1 410.486 4.320 20 0 HIADMM C[C@@H]1CC[C@H](CC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000469033865 883101947 /nfs/dbraw/zinc/10/19/47/883101947.db2.gz SYTCVTCUBBGCGR-MSOLQXFVSA-N -1 1 400.544 4.272 20 0 HIADMM CCc1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)s1 ZINC000464092841 877247668 /nfs/dbraw/zinc/24/76/68/877247668.db2.gz COZITHAVNVJFIO-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000464350584 877544774 /nfs/dbraw/zinc/54/47/74/877544774.db2.gz GTZCSCDTPWMVGP-UHFFFAOYSA-N -1 1 420.359 4.286 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000464380213 877579805 /nfs/dbraw/zinc/57/98/05/877579805.db2.gz AXYMXTQPBBHJSG-KRWDZBQOSA-N -1 1 414.509 4.481 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000464513416 877736316 /nfs/dbraw/zinc/73/63/16/877736316.db2.gz ADMVQSIRWMRETJ-VGOFRKELSA-N -1 1 406.507 4.321 20 0 HIADMM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[C@@H]1c1ccccc1 ZINC000464515524 877738319 /nfs/dbraw/zinc/73/83/19/877738319.db2.gz DHNKUDLBCNXTGV-AOMKIAJQSA-N -1 1 424.497 4.460 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000464698509 877914683 /nfs/dbraw/zinc/91/46/83/877914683.db2.gz ZQNIRPPCLHDLAQ-KRWDZBQOSA-N -1 1 420.600 4.366 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000464698822 877915239 /nfs/dbraw/zinc/91/52/39/877915239.db2.gz GXTCURWEKHIQCL-INIZCTEOSA-N -1 1 420.600 4.366 20 0 HIADMM CCCC(O)(CCC)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000464796865 878041376 /nfs/dbraw/zinc/04/13/76/878041376.db2.gz JNCVCFUFOULJFY-UHFFFAOYSA-N -1 1 404.532 4.147 20 0 HIADMM Cc1ccc(C(=O)NC[C@@H]2CCCS2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000465009498 878367769 /nfs/dbraw/zinc/36/77/69/878367769.db2.gz CYQHLQMKBJKUOR-KRWDZBQOSA-N -1 1 424.975 4.075 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)C[C@@H]3CC)c2)cc1 ZINC000465290697 878727545 /nfs/dbraw/zinc/72/75/45/878727545.db2.gz IRGZNUMPYMCDJK-LPHOPBHVSA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)C[C@@H]3CC)c2)cc1 ZINC000465295438 878736473 /nfs/dbraw/zinc/73/64/73/878736473.db2.gz NEEYZEXPRWXTEB-APWZRJJASA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ncccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000465297759 878739682 /nfs/dbraw/zinc/73/96/82/878739682.db2.gz UQEYAHWJZUTNTN-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1nc(C)c(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)s1 ZINC000465389305 878828631 /nfs/dbraw/zinc/82/86/31/878828631.db2.gz RIZZKMHEMGKTLB-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM CCC[C@H]1CCCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000466241834 879952540 /nfs/dbraw/zinc/95/25/40/879952540.db2.gz FISDCAVQBWZCRU-SFHVURJKSA-N -1 1 415.559 4.209 20 0 HIADMM O=C(Nc1cccc2c1OCCC2)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466508271 880283056 /nfs/dbraw/zinc/28/30/56/880283056.db2.gz ZRQMXKYJKPTRTK-UHFFFAOYSA-N -1 1 408.479 4.065 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2F)o1 ZINC000466582569 880355789 /nfs/dbraw/zinc/35/57/89/880355789.db2.gz ZODUJTUSQOOSEY-UHFFFAOYSA-N -1 1 409.266 4.055 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)cc1 ZINC000467081535 880854054 /nfs/dbraw/zinc/85/40/54/880854054.db2.gz QKKWEFNNUDHJHB-UHFFFAOYSA-N -1 1 421.522 4.230 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)ccc1C ZINC000467085904 880855096 /nfs/dbraw/zinc/85/50/96/880855096.db2.gz ORZQSIIJJCPXFV-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM COc1cc(C)ccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000467219975 880949748 /nfs/dbraw/zinc/94/97/48/880949748.db2.gz UOAHBSBJJKMIGD-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(C)(C)C)nc3c2)cc1Cl ZINC000467412334 881199275 /nfs/dbraw/zinc/19/92/75/881199275.db2.gz RQTDRYXDIFOZOJ-UHFFFAOYSA-N -1 1 420.922 4.273 20 0 HIADMM C[C@H](Oc1ccc(I)cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000467477110 881296798 /nfs/dbraw/zinc/29/67/98/881296798.db2.gz VVGFJOSUFFHMLS-VIFPVBQESA-N -1 1 417.630 4.056 20 0 HIADMM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000469061116 883137894 /nfs/dbraw/zinc/13/78/94/883137894.db2.gz VTFPMPHWMDAFON-UHFFFAOYSA-N -1 1 423.899 4.403 20 0 HIADMM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000469101295 883190580 /nfs/dbraw/zinc/19/05/80/883190580.db2.gz VWALCVDOSDCHTN-UHFFFAOYSA-N -1 1 413.833 4.236 20 0 HIADMM C[C@H](OCc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000469485569 883719332 /nfs/dbraw/zinc/71/93/32/883719332.db2.gz IDQVTMYAKRLJLL-KRWDZBQOSA-N -1 1 410.495 4.031 20 0 HIADMM C[C@@H]1CCC[C@H]1CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000469502235 883748566 /nfs/dbraw/zinc/74/85/66/883748566.db2.gz VOYNPYUZLQTUFR-WBVHZDCISA-N -1 1 404.507 4.069 20 0 HIADMM COCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000469515803 883776938 /nfs/dbraw/zinc/77/69/38/883776938.db2.gz SUBLLNRXQWKFKB-UHFFFAOYSA-N -1 1 424.522 4.237 20 0 HIADMM Cc1cc(C(=O)Nc2cc(C3CCC(C(C)(C)C)CC3)[nH]n2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469550141 883810372 /nfs/dbraw/zinc/81/03/72/883810372.db2.gz RXOXYQDMMKIDFZ-UHFFFAOYSA-N -1 1 424.505 4.040 20 0 HIADMM Cc1cc(C(=O)Nc2cc(C3CCC(C(C)(C)C)CC3)[nH]n2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469550141 883810375 /nfs/dbraw/zinc/81/03/75/883810375.db2.gz RXOXYQDMMKIDFZ-UHFFFAOYSA-N -1 1 424.505 4.040 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nc(C)cs3)c(F)c2)cc1OC ZINC000470267014 884616450 /nfs/dbraw/zinc/61/64/50/884616450.db2.gz NUGWDYHZYWGBPT-UHFFFAOYSA-N -1 1 424.475 4.201 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000470573694 884990544 /nfs/dbraw/zinc/99/05/44/884990544.db2.gz IBYCRANYTYXWDK-UHFFFAOYSA-N -1 1 403.473 4.161 20 0 HIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cc(F)cc2nccnc21 ZINC000470620829 885045050 /nfs/dbraw/zinc/04/50/50/885045050.db2.gz HGUHQIIMNJTEPO-UHFFFAOYSA-N -1 1 403.801 4.332 20 0 HIADMM O=C(c1ncccc1[O-])N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000470662396 885088721 /nfs/dbraw/zinc/08/87/21/885088721.db2.gz JOIBHNINSZWZJY-CQSZACIVSA-N -1 1 420.309 4.039 20 0 HIADMM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C)C(F)(F)F ZINC000470782996 885257745 /nfs/dbraw/zinc/25/77/45/885257745.db2.gz GUAMPEXKLNFFCR-KRWDZBQOSA-N -1 1 414.449 4.175 20 0 HIADMM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C)C(F)(F)F ZINC000470792251 885270537 /nfs/dbraw/zinc/27/05/37/885270537.db2.gz BCEAKNLIEBDMOE-INIZCTEOSA-N -1 1 418.412 4.006 20 0 HIADMM COc1ccc(Sc2nsc([N-]C(=O)c3cc4nccnc4cc3F)n2)cc1 ZINC000470970130 885471246 /nfs/dbraw/zinc/47/12/46/885471246.db2.gz WXNZNZXHHYZLRO-UHFFFAOYSA-N -1 1 413.459 4.033 20 0 HIADMM CCC(=O)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000471235348 885810014 /nfs/dbraw/zinc/81/00/14/885810014.db2.gz FGVMMBKFLZLMOY-UHFFFAOYSA-N -1 1 408.479 4.332 20 0 HIADMM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000471490880 886190711 /nfs/dbraw/zinc/19/07/11/886190711.db2.gz AXSHAIABQFMQGQ-KRWDZBQOSA-N -1 1 410.495 4.141 20 0 HIADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)[nH]n1 ZINC000471503908 886205768 /nfs/dbraw/zinc/20/57/68/886205768.db2.gz QBJQLLNMEWCQIG-NSHDSACASA-N -1 1 407.517 4.115 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)ccc1F ZINC000471621110 886340217 /nfs/dbraw/zinc/34/02/17/886340217.db2.gz MEEUTCXSPDCWLK-UHFFFAOYSA-N -1 1 415.446 4.279 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](C)CC2(C)C)cc1 ZINC000471727108 886441356 /nfs/dbraw/zinc/44/13/56/886441356.db2.gz PLCNBAJXVVUSAE-CQSZACIVSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1nc2c(cccc2C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000471751562 886480827 /nfs/dbraw/zinc/48/08/27/886480827.db2.gz RCBPJJJRFDKSOK-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000471934419 886731016 /nfs/dbraw/zinc/73/10/16/886731016.db2.gz OEUNSYJAUXOXCC-UHFFFAOYSA-N -1 1 410.318 4.077 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2C)c(C)c1F ZINC000471967087 886797844 /nfs/dbraw/zinc/79/78/44/886797844.db2.gz YBFOALYYNZVIGP-UHFFFAOYSA-N -1 1 406.248 4.154 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]3Cc3ccccc3)c2)c1 ZINC000472193823 886994511 /nfs/dbraw/zinc/99/45/11/886994511.db2.gz SLYFLYSIQGIEMK-JOCHJYFZSA-N -1 1 420.534 4.253 20 0 HIADMM CO[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(C)C ZINC000472232372 887040261 /nfs/dbraw/zinc/04/02/61/887040261.db2.gz XIOWMHMJIHWOFI-GOSISDBHSA-N -1 1 410.923 4.059 20 0 HIADMM COc1ccccc1[C@@H](CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)OC(C)C ZINC000472477950 887340367 /nfs/dbraw/zinc/34/03/67/887340367.db2.gz MKGHSZILQVFTBB-HXUWFJFHSA-N -1 1 408.502 4.448 20 0 HIADMM CC(=O)CC(C)(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000472790125 887636375 /nfs/dbraw/zinc/63/63/75/887636375.db2.gz QEYGMMWEPARJTF-UHFFFAOYSA-N -1 1 402.516 4.130 20 0 HIADMM CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc2[nH]ccc2c1 ZINC000472969920 887816336 /nfs/dbraw/zinc/81/63/36/887816336.db2.gz SKVXAQOFUHDLLM-UHFFFAOYSA-N -1 1 401.470 4.020 20 0 HIADMM CCCc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)n1 ZINC000504365498 913194720 /nfs/dbraw/zinc/19/47/20/913194720.db2.gz KVJZVYGFJLOLGX-UHFFFAOYSA-N -1 1 415.540 4.457 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCCC2(CCC2)C1 ZINC000473327352 888067043 /nfs/dbraw/zinc/06/70/43/888067043.db2.gz DZIMYQAGENCNAY-UHFFFAOYSA-N -1 1 420.481 4.172 20 0 HIADMM CC(C)(C)c1ncsc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000473481612 888203979 /nfs/dbraw/zinc/20/39/79/888203979.db2.gz OHNHDDSIMBIWGW-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc2cc[nH]c2c1 ZINC000473563244 888303008 /nfs/dbraw/zinc/30/30/08/888303008.db2.gz UULWVGJESOTKJL-UHFFFAOYSA-N -1 1 405.479 4.245 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c1 ZINC000473606019 888348096 /nfs/dbraw/zinc/34/80/96/888348096.db2.gz XSBNNZSDTMTBIO-UHFFFAOYSA-N -1 1 404.470 4.141 20 0 HIADMM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc(Cl)c1[O-] ZINC000473621908 888361751 /nfs/dbraw/zinc/36/17/51/888361751.db2.gz KVPQVCQQKLDQHV-IINYFYTJSA-N -1 1 414.658 4.242 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnc(CC(C)C)nc2)cc1 ZINC000473634843 888376693 /nfs/dbraw/zinc/37/66/93/888376693.db2.gz ZRPSFDFVYZVMQO-UHFFFAOYSA-N -1 1 424.526 4.037 20 0 HIADMM Cc1ccc(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000473737199 888516198 /nfs/dbraw/zinc/51/61/98/888516198.db2.gz AATOHMZZEAPWAO-UHFFFAOYSA-N -1 1 423.494 4.026 20 0 HIADMM O=c1[n-]c(-c2nnc(-c3ccccc3)s2)nc2cc(Br)c(F)cc12 ZINC000504483220 913278075 /nfs/dbraw/zinc/27/80/75/913278075.db2.gz VXNIHOZWBPRCDJ-UHFFFAOYSA-N -1 1 403.236 4.423 20 0 HIADMM CC[C@H](C)[C@@H](OC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000474077722 888903701 /nfs/dbraw/zinc/90/37/01/888903701.db2.gz FTTZECKVJWZHCF-SCLBCKFNSA-N -1 1 410.923 4.140 20 0 HIADMM CCCCOc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c(Cl)c1 ZINC000474184460 889023864 /nfs/dbraw/zinc/02/38/64/889023864.db2.gz QHEGOFBNKFSOPK-UHFFFAOYSA-N -1 1 414.886 4.282 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000474300474 889165945 /nfs/dbraw/zinc/16/59/45/889165945.db2.gz BLXJNVHQXUBDGS-LBPRGKRZSA-N -1 1 420.351 4.302 20 0 HIADMM CCc1[nH]ccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000504548502 913325046 /nfs/dbraw/zinc/32/50/46/913325046.db2.gz PHWUPSXCSKDXHH-UHFFFAOYSA-N -1 1 403.891 4.284 20 0 HIADMM COc1cc([C@@H](C)NC(=O)c2c(C)[n-]c(=O)nc2SC)ccc1OC1CCCC1 ZINC000474498815 889360404 /nfs/dbraw/zinc/36/04/04/889360404.db2.gz URZVCYIIXWGPOD-GFCCVEGCSA-N -1 1 417.531 4.034 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Cl)s1 ZINC000474539592 889414197 /nfs/dbraw/zinc/41/41/97/889414197.db2.gz ZKIUEUMVIVEZOH-UHFFFAOYSA-N -1 1 424.906 4.271 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc2cc[nH]c2c1 ZINC000474540338 889416195 /nfs/dbraw/zinc/41/61/95/889416195.db2.gz TUTUXKRDNJKIDY-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM C[C@H]1CC[C@H](CC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000474548576 889424082 /nfs/dbraw/zinc/42/40/82/889424082.db2.gz RVGDAIQOMPGEHZ-RDJZCZTQSA-N -1 1 404.507 4.069 20 0 HIADMM COCCSc1ccc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000474571558 889447045 /nfs/dbraw/zinc/44/70/45/889447045.db2.gz BGQGENVTJAKZNK-CYBMUJFWSA-N -1 1 403.548 4.018 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000474585815 889456293 /nfs/dbraw/zinc/45/62/93/889456293.db2.gz MNDRGUZXYVXZBF-UHFFFAOYSA-N -1 1 411.531 4.218 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000474621629 889486345 /nfs/dbraw/zinc/48/63/45/889486345.db2.gz XYUJLMFJBSDXMS-KRWDZBQOSA-N -1 1 407.495 4.133 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000474636542 889499560 /nfs/dbraw/zinc/49/95/60/889499560.db2.gz VGDGOXUKCIVUJA-UHFFFAOYSA-N -1 1 407.436 4.269 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C4CCOCC4)no3)ccc2C)c1 ZINC000504593800 913352765 /nfs/dbraw/zinc/35/27/65/913352765.db2.gz SXMZUQXCEFQLJV-UHFFFAOYSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC000474801910 889653818 /nfs/dbraw/zinc/65/38/18/889653818.db2.gz SMXHCCNKFICNKN-UHFFFAOYSA-N -1 1 406.486 4.057 20 0 HIADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474882497 889738374 /nfs/dbraw/zinc/73/83/74/889738374.db2.gz SDYVZBXZYHNCJQ-VQIMIIECSA-N -1 1 402.516 4.021 20 0 HIADMM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)O2 ZINC000474883433 889739168 /nfs/dbraw/zinc/73/91/68/889739168.db2.gz WQWIUROWIXBXIJ-QFIPXVFZSA-N -1 1 422.506 4.128 20 0 HIADMM COc1ccc(-c2ccc(CNC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)s2)cc1 ZINC000474975345 889829437 /nfs/dbraw/zinc/82/94/37/889829437.db2.gz WLHITLBRNBVNKM-UHFFFAOYSA-N -1 1 411.527 4.455 20 0 HIADMM COc1ccc(Oc2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cn2)cc1 ZINC000475009666 889863995 /nfs/dbraw/zinc/86/39/95/889863995.db2.gz QIHNZCAUEXZPHW-UHFFFAOYSA-N -1 1 408.458 4.236 20 0 HIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000475110837 889961543 /nfs/dbraw/zinc/96/15/43/889961543.db2.gz OMZVPPUIPIQLGM-UHFFFAOYSA-N -1 1 413.327 4.318 20 0 HIADMM C[C@@H](Sc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC000504658252 913400104 /nfs/dbraw/zinc/40/01/04/913400104.db2.gz QMWUEROVSAHARW-SECBINFHSA-N -1 1 406.312 4.359 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2ccc(S[C@@H](C)C(=O)[O-])cc2)c(Cl)cc1F ZINC000504666809 913406869 /nfs/dbraw/zinc/40/68/69/913406869.db2.gz ZJNXUXOGCRKZBR-JTQLQIEISA-N -1 1 403.884 4.154 20 0 HIADMM CCCCN(C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000475324397 890243735 /nfs/dbraw/zinc/24/37/35/890243735.db2.gz DZQXLKYYUBWUHJ-UHFFFAOYSA-N -1 1 419.522 4.101 20 0 HIADMM CC[C@@H]1CCCCN1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475325829 890245444 /nfs/dbraw/zinc/24/54/44/890245444.db2.gz OYMSIXYHABNNGE-LJQANCHMSA-N -1 1 419.522 4.101 20 0 HIADMM CCN(C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@@H](C)C(C)C ZINC000475331004 890250323 /nfs/dbraw/zinc/25/03/23/890250323.db2.gz XFBWZNOCWHVJIE-INIZCTEOSA-N -1 1 421.538 4.203 20 0 HIADMM COc1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000475371408 890301006 /nfs/dbraw/zinc/30/10/06/890301006.db2.gz SBYQDEIAFYVMJC-IBGZPJMESA-N -1 1 417.531 4.216 20 0 HIADMM CN(C)Cc1cnc(/C=C/c2cc(C(=O)[O-])c3cc(Br)ccc3n2)s1 ZINC000504712150 913445257 /nfs/dbraw/zinc/44/52/57/913445257.db2.gz MZIGSWGAKGMXFQ-GQCTYLIASA-N -1 1 418.316 4.384 20 0 HIADMM CC(C)CCSCC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475722769 890661558 /nfs/dbraw/zinc/66/15/58/890661558.db2.gz LVPTXGKPYJJDMD-UHFFFAOYSA-N -1 1 424.563 4.022 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1Cl ZINC000475839329 890772039 /nfs/dbraw/zinc/77/20/39/890772039.db2.gz WDFNUYJVDVCOAH-UHFFFAOYSA-N -1 1 415.902 4.470 20 0 HIADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)ccc2C)cc1 ZINC000475840766 890773586 /nfs/dbraw/zinc/77/35/86/890773586.db2.gz YURIHABHPQMBBX-UHFFFAOYSA-N -1 1 419.524 4.158 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000476154633 891079106 /nfs/dbraw/zinc/07/91/06/891079106.db2.gz NHMRSDHEKCVNMR-HXUWFJFHSA-N -1 1 406.507 4.117 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Br)c2C)cc1Cl ZINC000476275118 891195810 /nfs/dbraw/zinc/19/58/10/891195810.db2.gz LHPMRJCDHYZLNZ-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM COc1cccc(-c2nsc(NC([O-])=COc3ccccc3-c3ccccc3)n2)c1 ZINC000476318761 891227276 /nfs/dbraw/zinc/22/72/76/891227276.db2.gz RJPCRHBDMWXXRB-UHFFFAOYSA-N -1 1 417.490 4.320 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)ccc1Br ZINC000476398175 891314508 /nfs/dbraw/zinc/31/45/08/891314508.db2.gz SAQWSAVNBCCBHW-UHFFFAOYSA-N -1 1 416.362 4.164 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)cc1 ZINC000476400243 891317293 /nfs/dbraw/zinc/31/72/93/891317293.db2.gz UVHOLYIDIWASSF-UHFFFAOYSA-N -1 1 404.532 4.094 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1Cl ZINC000476569524 891489502 /nfs/dbraw/zinc/48/95/02/891489502.db2.gz SOZWUMFIUZPQCO-UHFFFAOYSA-N -1 1 404.875 4.261 20 0 HIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]1c1ccncc1 ZINC000476652045 891595640 /nfs/dbraw/zinc/59/56/40/891595640.db2.gz JRMPUTYUBONAIV-OAQYLSRUSA-N -1 1 421.522 4.106 20 0 HIADMM CC(C)c1cccnc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000504853301 913581839 /nfs/dbraw/zinc/58/18/39/913581839.db2.gz SCMKLUQHGWEIMX-UHFFFAOYSA-N -1 1 413.474 4.397 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H](C)C3)cc2)cc1 ZINC000476846486 891819968 /nfs/dbraw/zinc/81/99/68/891819968.db2.gz KMPXRPFVFJYRAJ-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c2ccccc12 ZINC000477276191 892229570 /nfs/dbraw/zinc/22/95/70/892229570.db2.gz KDJIOXUIFJYNJA-UHFFFAOYSA-N -1 1 407.451 4.254 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000477522804 892546915 /nfs/dbraw/zinc/54/69/15/892546915.db2.gz PCYKIUROUPPUOU-UHFFFAOYSA-N -1 1 409.511 4.461 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2ccc(OC3CCCCC3)cc2)c(=O)[n-]1 ZINC000504938478 913677577 /nfs/dbraw/zinc/67/75/77/913677577.db2.gz DWIULJMYUXBDPX-UHFFFAOYSA-N -1 1 415.559 4.173 20 0 HIADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000477610078 892698393 /nfs/dbraw/zinc/69/83/93/892698393.db2.gz LHTNDVJCXVFWQG-UONOGXRCSA-N -1 1 408.907 4.077 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000504959784 913698570 /nfs/dbraw/zinc/69/85/70/913698570.db2.gz PIYQTZBKKJGQFP-UHFFFAOYSA-N -1 1 416.481 4.093 20 0 HIADMM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000477685201 892809238 /nfs/dbraw/zinc/80/92/38/892809238.db2.gz IRNYBYOPRULQIK-UHFFFAOYSA-N -1 1 406.442 4.079 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc4c3CCO4)c2)c1 ZINC000477743320 892838875 /nfs/dbraw/zinc/83/88/75/892838875.db2.gz NBSNXBNPEWLTEK-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000477824352 892889133 /nfs/dbraw/zinc/88/91/33/892889133.db2.gz VDMIUEZLEUKBBH-IMJJTQAJSA-N -1 1 405.292 4.322 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(c3cccc(Cl)c3)CC2)c(=O)[n-]1 ZINC000478250909 893426375 /nfs/dbraw/zinc/42/63/75/893426375.db2.gz BYMZCLFTMAWZFU-UHFFFAOYSA-N -1 1 405.951 4.205 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000478281401 893483948 /nfs/dbraw/zinc/48/39/48/893483948.db2.gz FZTMPJJVVKFNJK-AUUYWEPGSA-N -1 1 418.497 4.003 20 0 HIADMM CC[C@@H](C)c1ncc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000478301960 893518081 /nfs/dbraw/zinc/51/80/81/893518081.db2.gz FEJDNOBRYYMPNK-OAHLLOKOSA-N -1 1 410.499 4.043 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccn4)no3)ccc2C)c1 ZINC000505074402 913805302 /nfs/dbraw/zinc/80/53/02/913805302.db2.gz SFPUCMLGMTWMCZ-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)sn1 ZINC000478545054 893841941 /nfs/dbraw/zinc/84/19/41/893841941.db2.gz CSBYHUZUOBSZKT-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM C[C@@H](CN(C)C(=O)c1oc2ccccc2c1CSc1cccs1)c1nn[n-]n1 ZINC000478596635 893865981 /nfs/dbraw/zinc/86/59/81/893865981.db2.gz XKVXISGWPHVXFW-LBPRGKRZSA-N -1 1 413.528 4.175 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cnc(C(C)C)nc3)cc2)cc1C ZINC000478661109 893906170 /nfs/dbraw/zinc/90/61/70/893906170.db2.gz ZRWRJKLYGXESFO-UHFFFAOYSA-N -1 1 424.526 4.270 20 0 HIADMM COCc1ncc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)s1 ZINC000478663984 893910196 /nfs/dbraw/zinc/91/01/96/893910196.db2.gz RWGNFRWVRYNKNA-UHFFFAOYSA-N -1 1 412.949 4.339 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1C(N)=O ZINC000478679445 893930391 /nfs/dbraw/zinc/93/03/91/893930391.db2.gz JHNRBKQXQAMWMR-UHFFFAOYSA-N -1 1 418.902 4.180 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1NC(=O)N(C)C ZINC000478683456 893937470 /nfs/dbraw/zinc/93/74/70/893937470.db2.gz YYRYHXLHRVVPSK-UHFFFAOYSA-N -1 1 402.303 4.196 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-n3cc(C)[nH]c3=O)c2)cc1Cl ZINC000478697204 893956572 /nfs/dbraw/zinc/95/65/72/893956572.db2.gz MSKXXIOQHHPARY-UHFFFAOYSA-N -1 1 409.920 4.062 20 0 HIADMM O=C([O-])c1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000478821359 894095772 /nfs/dbraw/zinc/09/57/72/894095772.db2.gz AAECIXSXEAJXKP-UHFFFAOYSA-N -1 1 402.385 4.228 20 0 HIADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000478854901 894134449 /nfs/dbraw/zinc/13/44/49/894134449.db2.gz LIBORVVTRAPJEQ-MZYLBHOOSA-N -1 1 406.526 4.177 20 0 HIADMM CCc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000478911577 894192078 /nfs/dbraw/zinc/19/20/78/894192078.db2.gz WMGYBTSOLFRSPN-UHFFFAOYSA-N -1 1 400.525 4.041 20 0 HIADMM CSCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000479043663 894305107 /nfs/dbraw/zinc/30/51/07/894305107.db2.gz QTPYPMHVJMLEJY-UHFFFAOYSA-N -1 1 420.600 4.367 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1Cc2ccccc2C2(CC2)C1 ZINC000479062019 894322393 /nfs/dbraw/zinc/32/23/93/894322393.db2.gz NSOUTZPBJUNUKW-UHFFFAOYSA-N -1 1 418.518 4.175 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC(F)F)c2)cc1 ZINC000505175002 913862729 /nfs/dbraw/zinc/86/27/29/913862729.db2.gz PGFGUDXFLFKRFQ-UHFFFAOYSA-N -1 1 410.486 4.167 20 0 HIADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000479141426 894412532 /nfs/dbraw/zinc/41/25/32/894412532.db2.gz NYJKUQMTOMBNRY-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM CN(Cc1cscn1)Cc1cccc([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000479276562 894552007 /nfs/dbraw/zinc/55/20/07/894552007.db2.gz GMGXUSTUXVXLSW-UHFFFAOYSA-N -1 1 424.551 4.124 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](C)[C@H]3CC)c2)cc1 ZINC000479389198 894692130 /nfs/dbraw/zinc/69/21/30/894692130.db2.gz KPTISVJRRMKFTJ-IIBYNOLFSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](C)C(F)(F)F)c1 ZINC000479392393 894695556 /nfs/dbraw/zinc/69/55/56/894695556.db2.gz JMGPTUOGBOHOQU-AWEZNQCLSA-N -1 1 414.449 4.032 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](C)C(F)(F)F)cc2)c1C ZINC000479398544 894701447 /nfs/dbraw/zinc/70/14/47/894701447.db2.gz UNFMJOUWAYDLRI-ZDUSSCGKSA-N -1 1 414.449 4.032 20 0 HIADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000479412321 894719965 /nfs/dbraw/zinc/71/99/65/894719965.db2.gz OYVZQXMTQDCKRL-XOBRGWDASA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1)c1ccccc1 ZINC000479490045 894810977 /nfs/dbraw/zinc/81/09/77/894810977.db2.gz NLZLQALVLBDAEG-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479511802 894824950 /nfs/dbraw/zinc/82/49/50/894824950.db2.gz GRQCAPVIPSCVHU-UHFFFAOYSA-N -1 1 414.537 4.347 20 0 HIADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000479542172 894844575 /nfs/dbraw/zinc/84/45/75/894844575.db2.gz JJVOQQQWJPKEIL-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(OC[C@H]4CCOC4)c(F)c3)cc12 ZINC000479546084 894846360 /nfs/dbraw/zinc/84/63/60/894846360.db2.gz VDGCKPMPTIMLQZ-AWEZNQCLSA-N -1 1 405.447 4.096 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)cc1 ZINC000479571014 894864859 /nfs/dbraw/zinc/86/48/59/894864859.db2.gz RQIQADPSSCGZKI-UHFFFAOYSA-N -1 1 400.500 4.332 20 0 HIADMM O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000479574511 894866773 /nfs/dbraw/zinc/86/67/73/894866773.db2.gz AXEIECRHPFGZLU-UHFFFAOYSA-N -1 1 407.779 4.014 20 0 HIADMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1ncoc1-c1ccccc1Cl ZINC000479775219 895077495 /nfs/dbraw/zinc/07/74/95/895077495.db2.gz XUGAVBMPVXVVOK-UHFFFAOYSA-N -1 1 401.760 4.311 20 0 HIADMM COCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccc(C)o1 ZINC000479978202 895331567 /nfs/dbraw/zinc/33/15/67/895331567.db2.gz JFLMTWHGOSTIBE-CYBMUJFWSA-N -1 1 411.829 4.316 20 0 HIADMM COCCC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000480091503 895453248 /nfs/dbraw/zinc/45/32/48/895453248.db2.gz DUQKDBJSPLQGBF-QGZVFWFLSA-N -1 1 404.532 4.105 20 0 HIADMM CC[C@@H](C)CN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000480177944 895568937 /nfs/dbraw/zinc/56/89/37/895568937.db2.gz HVFHBKWSBLOYQQ-MRXNPFEDSA-N -1 1 406.523 4.064 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000480198765 895598482 /nfs/dbraw/zinc/59/84/82/895598482.db2.gz ULXRPQSTWNXHOI-CYBMUJFWSA-N -1 1 414.449 4.121 20 0 HIADMM CC[C@H](C)CN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000480204710 895604246 /nfs/dbraw/zinc/60/42/46/895604246.db2.gz UAUHCCSNHNSFNK-INIZCTEOSA-N -1 1 404.532 4.004 20 0 HIADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2)n[nH]1 ZINC000480229775 895633415 /nfs/dbraw/zinc/63/34/15/895633415.db2.gz UXJKYQNYPOLNMH-UHFFFAOYSA-N -1 1 411.405 4.416 20 0 HIADMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000480242366 895650772 /nfs/dbraw/zinc/65/07/72/895650772.db2.gz BIUQVPIRHIITBW-UHFFFAOYSA-N -1 1 422.279 4.154 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480243606 895653785 /nfs/dbraw/zinc/65/37/85/895653785.db2.gz FQKKLJLVAUVALP-UHFFFAOYSA-N -1 1 417.449 4.145 20 0 HIADMM CC(C)c1occc1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000480492909 895864926 /nfs/dbraw/zinc/86/49/26/895864926.db2.gz IWUBIOOJHQLBKQ-UHFFFAOYSA-N -1 1 416.474 4.273 20 0 HIADMM CCCOc1ccc([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)cc1OC ZINC000480543483 895906002 /nfs/dbraw/zinc/90/60/02/895906002.db2.gz XSUHJRPDLQXJGB-LBPRGKRZSA-N -1 1 408.292 4.443 20 0 HIADMM O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)c([O-])c1 ZINC000480550993 895911422 /nfs/dbraw/zinc/91/14/22/895911422.db2.gz FTOSIPLIQSDEDF-UHFFFAOYSA-N -1 1 404.182 4.026 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c(F)c(F)cc(F)c1F ZINC000480720301 896080853 /nfs/dbraw/zinc/08/08/53/896080853.db2.gz ZIDGGIJRXPNJHK-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccnn1C1CCCC1 ZINC000480791569 896158360 /nfs/dbraw/zinc/15/83/60/896158360.db2.gz SJXJJFLKBWKKCY-UHFFFAOYSA-N -1 1 410.499 4.051 20 0 HIADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000480992461 896324967 /nfs/dbraw/zinc/32/49/67/896324967.db2.gz OZFJVQBYNCRIEV-VQTJNVASSA-N -1 1 418.584 4.200 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC[C@H]3C(F)F)c2)cc1 ZINC000505436358 914099702 /nfs/dbraw/zinc/09/97/02/914099702.db2.gz IUHMFBXXQYFAHI-SFHVURJKSA-N -1 1 408.470 4.056 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C(F)F)cc2)c1 ZINC000505436670 914100368 /nfs/dbraw/zinc/10/03/68/914100368.db2.gz NYNXHJMYDIAUJR-GOSISDBHSA-N -1 1 422.497 4.364 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1Cl ZINC000481960775 897349787 /nfs/dbraw/zinc/34/97/87/897349787.db2.gz UDIWJCNQRSLPHB-UHFFFAOYSA-N -1 1 406.813 4.204 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1Cl ZINC000481973843 897366373 /nfs/dbraw/zinc/36/63/73/897366373.db2.gz NGGVVEGGVPITAS-UHFFFAOYSA-N -1 1 408.907 4.026 20 0 HIADMM O=C(N[C@H](c1ccccc1)C(F)F)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000481984072 897378532 /nfs/dbraw/zinc/37/85/32/897378532.db2.gz MEIOZFMAPAYENV-LJQANCHMSA-N -1 1 416.449 4.224 20 0 HIADMM CCS[C@H]1CCC[C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000482229405 897709984 /nfs/dbraw/zinc/70/99/84/897709984.db2.gz NOPOFYLRNVPRMI-MJGOQNOKSA-N -1 1 418.584 4.282 20 0 HIADMM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000482259635 897743760 /nfs/dbraw/zinc/74/37/60/897743760.db2.gz NRQLNBQDPDNNMP-MOPGFXCFSA-N -1 1 418.584 4.282 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)c4ccccc43)c2)cc1 ZINC000482343378 897852378 /nfs/dbraw/zinc/85/23/78/897852378.db2.gz QNZUKHGEJAFRFM-INIZCTEOSA-N -1 1 422.506 4.260 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000505522715 914214231 /nfs/dbraw/zinc/21/42/31/914214231.db2.gz WHKFEXCJDRVDKK-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM CNS(=O)(=O)c1csc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)c1 ZINC000482519188 898107222 /nfs/dbraw/zinc/10/72/22/898107222.db2.gz PJSONPJBNXOZBX-UHFFFAOYSA-N -1 1 404.966 4.062 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccccc2OC[C@H]2CCCO2)c1 ZINC000482680070 898281890 /nfs/dbraw/zinc/28/18/90/898281890.db2.gz YFKSSEGQFHXLTP-CYBMUJFWSA-N -1 1 406.276 4.273 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 ZINC000482715949 898316673 /nfs/dbraw/zinc/31/66/73/898316673.db2.gz ZPXFWIUIJPHCQJ-ZFWWWQNUSA-N -1 1 417.303 4.011 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 ZINC000482715947 898316740 /nfs/dbraw/zinc/31/67/40/898316740.db2.gz ZPXFWIUIJPHCQJ-UKRRQHHQSA-N -1 1 417.303 4.011 20 0 HIADMM CC(=O)c1cccc(OCCCC(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000482721357 898322924 /nfs/dbraw/zinc/32/29/24/898322924.db2.gz HPTWGUDVQFCMKN-UHFFFAOYSA-N -1 1 406.276 4.463 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)c1cccc(OC)c1 ZINC000505544454 914243957 /nfs/dbraw/zinc/24/39/57/914243957.db2.gz DGQRDYNVNWKVLY-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM Cc1ccc2c(c1)CN(C(=O)Cc1ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc1)C2 ZINC000482822412 898431734 /nfs/dbraw/zinc/43/17/34/898431734.db2.gz AIUYHWAFCIHKFZ-UHFFFAOYSA-N -1 1 424.497 4.020 20 0 HIADMM Cc1ccc2c(c1)CN(C(=O)c1ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc1)C2 ZINC000482862584 898474454 /nfs/dbraw/zinc/47/44/54/898474454.db2.gz XTFUITTWPZLEQZ-UHFFFAOYSA-N -1 1 410.470 4.091 20 0 HIADMM COc1ccc(CN(CCc2ccccn2)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000483062577 898741689 /nfs/dbraw/zinc/74/16/89/898741689.db2.gz ITARKLJTDFAGJN-UHFFFAOYSA-N -1 1 406.511 4.045 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)cc1 ZINC000483120511 898808747 /nfs/dbraw/zinc/80/87/47/898808747.db2.gz UKSJTQATVFZFJV-UHFFFAOYSA-N -1 1 420.506 4.322 20 0 HIADMM CCCC[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(OC)cc1 ZINC000483861580 899544992 /nfs/dbraw/zinc/54/49/92/899544992.db2.gz WJINZVCTVFOWHU-SFHVURJKSA-N -1 1 403.548 4.201 20 0 HIADMM O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000484245313 899830902 /nfs/dbraw/zinc/83/09/02/899830902.db2.gz MUHLXBTZTRIMIT-UHFFFAOYSA-N -1 1 424.432 4.219 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c(=O)[n-]1 ZINC000484472258 899965476 /nfs/dbraw/zinc/96/54/76/899965476.db2.gz YAAIPTWJBOGOBU-HNNXBMFYSA-N -1 1 403.523 4.081 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000484514054 900003804 /nfs/dbraw/zinc/00/38/04/900003804.db2.gz LRXQBGHROOGSRJ-UHFFFAOYSA-N -1 1 419.449 4.491 20 0 HIADMM Cc1ccccc1[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000484769317 900183291 /nfs/dbraw/zinc/18/32/91/900183291.db2.gz FEZIIUVQCLKFHH-QFIPXVFZSA-N -1 1 404.514 4.307 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(Br)s1 ZINC000484788681 900196427 /nfs/dbraw/zinc/19/64/27/900196427.db2.gz RSJIHCPRSUDCCN-DTWKUNHWSA-N -1 1 406.289 4.158 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H](C)C1CCCC1 ZINC000505752947 914425461 /nfs/dbraw/zinc/42/54/61/914425461.db2.gz LRAPQMQACIFLKN-HNNXBMFYSA-N -1 1 404.507 4.243 20 0 HIADMM COc1ccccc1OCc1ccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)o1 ZINC000484957605 900321910 /nfs/dbraw/zinc/32/19/10/900321910.db2.gz HKGSHQOGDASJOY-UHFFFAOYSA-N -1 1 413.377 4.076 20 0 HIADMM O=C([O-])c1cc(NS(=O)(=O)c2cnc3ccsc3c2)cc(Cl)c1Cl ZINC000485086125 900399342 /nfs/dbraw/zinc/39/93/42/900399342.db2.gz JQQKHPVFMDQBSI-UHFFFAOYSA-N -1 1 403.268 4.102 20 0 HIADMM CC[C@H](C)Oc1cccc(NS(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000485302969 900581741 /nfs/dbraw/zinc/58/17/41/900581741.db2.gz WMASGXDOCPJKRV-NSHDSACASA-N -1 1 413.879 4.025 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccccc1-c1nnc2n1CCCCC2 ZINC000485409186 900706697 /nfs/dbraw/zinc/70/66/97/900706697.db2.gz RVWRCXDAQXFSAU-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cc(Br)c(F)cc1F ZINC000485474507 900768421 /nfs/dbraw/zinc/76/84/21/900768421.db2.gz WNPBIGLDDUOKOL-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cn1cccc1[C@H]1CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485569509 900839112 /nfs/dbraw/zinc/83/91/12/900839112.db2.gz NZXKIAXBQPAUKJ-OAHLLOKOSA-N -1 1 400.276 4.019 20 0 HIADMM CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)c1cccc(OC)c1 ZINC000485656041 900907908 /nfs/dbraw/zinc/90/79/08/900907908.db2.gz QNMHUFVDBIGWAR-UHFFFAOYSA-N -1 1 401.260 4.378 20 0 HIADMM CCCc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000485728443 900980710 /nfs/dbraw/zinc/98/07/10/900980710.db2.gz ZKAYQQPXKINQJY-UHFFFAOYSA-N -1 1 415.540 4.457 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ccc1N1CCCC1=O ZINC000485786673 901041002 /nfs/dbraw/zinc/04/10/02/901041002.db2.gz BQCMDWAGBCLLCH-UHFFFAOYSA-N -1 1 422.506 4.290 20 0 HIADMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1 ZINC000486091365 901279730 /nfs/dbraw/zinc/27/97/30/901279730.db2.gz PWMMNLKGPBVDDF-GFCCVEGCSA-N -1 1 421.906 4.001 20 0 HIADMM CCc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1C(=O)[O-] ZINC000486111008 901296448 /nfs/dbraw/zinc/29/64/48/901296448.db2.gz PNJXLIKPJTYHMP-UHFFFAOYSA-N -1 1 413.499 4.057 20 0 HIADMM CCCCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000486168508 901354582 /nfs/dbraw/zinc/35/45/82/901354582.db2.gz XCHUPHUUBWOVPN-UHFFFAOYSA-N -1 1 411.911 4.110 20 0 HIADMM CC1(C)CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)O1 ZINC000486339097 901515078 /nfs/dbraw/zinc/51/50/78/901515078.db2.gz BKKYXDTVHSQWCZ-KRWDZBQOSA-N -1 1 408.907 4.037 20 0 HIADMM O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(Br)c([O-])c1 ZINC000486532831 901683261 /nfs/dbraw/zinc/68/32/61/901683261.db2.gz ZMFBNRVDSKJWLV-UHFFFAOYSA-N -1 1 424.722 4.286 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cccnc12 ZINC000486598909 901737122 /nfs/dbraw/zinc/73/71/22/901737122.db2.gz JAAMBWJEVHXKRG-UHFFFAOYSA-N -1 1 400.353 4.202 20 0 HIADMM O=S(=O)([N-]Cc1nc(-c2ccccc2F)cs1)c1c(F)cccc1Cl ZINC000486865015 901909728 /nfs/dbraw/zinc/90/97/28/901909728.db2.gz JUCKTSCABFISTE-UHFFFAOYSA-N -1 1 400.859 4.220 20 0 HIADMM COc1cc(C)cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1C ZINC000487100706 902058785 /nfs/dbraw/zinc/05/87/85/902058785.db2.gz YPPSDUMTLSLVPI-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM O=C(COc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1)Nc1cccnc1 ZINC000487244087 902114103 /nfs/dbraw/zinc/11/41/03/902114103.db2.gz UAESVVUMONZMCE-UHFFFAOYSA-N -1 1 412.833 4.102 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c(=O)[n-]1 ZINC000487265694 902127425 /nfs/dbraw/zinc/12/74/25/902127425.db2.gz NUGOZLMQOOBSEL-AQNXPRMDSA-N -1 1 411.571 4.330 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)cc1Br ZINC000487298939 902142084 /nfs/dbraw/zinc/14/20/84/902142084.db2.gz OCEOQBUYIPGCPQ-UHFFFAOYSA-N -1 1 422.300 4.420 20 0 HIADMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)ccc1F ZINC000487904973 902443024 /nfs/dbraw/zinc/44/30/24/902443024.db2.gz DARWDFULRHJETF-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000488024981 902545035 /nfs/dbraw/zinc/54/50/35/902545035.db2.gz RDGAEFODIQXDEX-UHFFFAOYSA-N -1 1 400.316 4.053 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)ccc1NC(C)=O ZINC000488228709 902706535 /nfs/dbraw/zinc/70/65/35/902706535.db2.gz GIPAIJHXUUEGMA-UHFFFAOYSA-N -1 1 422.812 4.127 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000488400686 902808446 /nfs/dbraw/zinc/80/84/46/902808446.db2.gz SYQVXSGYYCOMHY-OAQYLSRUSA-N -1 1 424.570 4.002 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCC(F)(F)C3)ccc2C)c1 ZINC000488953051 903094354 /nfs/dbraw/zinc/09/43/54/903094354.db2.gz YCTSAERKKHMXTM-SFHVURJKSA-N -1 1 422.497 4.412 20 0 HIADMM CCOc1cc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc(Cl)c1[O-] ZINC000489028876 903134860 /nfs/dbraw/zinc/13/48/60/903134860.db2.gz XFRHICSMLWROLM-LSDHHAIUSA-N -1 1 421.881 4.046 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000489248956 903286290 /nfs/dbraw/zinc/28/62/90/903286290.db2.gz HBMSBTBAKKJCAK-UHFFFAOYSA-N -1 1 406.530 4.001 20 0 HIADMM CSC[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000489334514 903336224 /nfs/dbraw/zinc/33/62/24/903336224.db2.gz STBMXQKXORTPHA-KRWDZBQOSA-N -1 1 424.975 4.108 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1cc2ccccc2s1 ZINC000489572589 903471856 /nfs/dbraw/zinc/47/18/56/903471856.db2.gz QZFMCOHVUHBAFD-UHFFFAOYSA-N -1 1 404.495 4.016 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1OCC(F)F ZINC000489712098 903554046 /nfs/dbraw/zinc/55/40/46/903554046.db2.gz HHTLBLFMGKMKHJ-UHFFFAOYSA-N -1 1 409.458 4.370 20 0 HIADMM O=S(=O)([N-]CC1CC(F)(F)C1)c1ccc(Br)c(Cl)c1Cl ZINC000490028633 903731617 /nfs/dbraw/zinc/73/16/17/903731617.db2.gz UULYXSLAHJXJAM-UHFFFAOYSA-N -1 1 409.079 4.080 20 0 HIADMM CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000490128595 903782502 /nfs/dbraw/zinc/78/25/02/903782502.db2.gz KPKJKOWADLTWSZ-UHFFFAOYSA-N -1 1 414.449 4.425 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc1-c1ccccc1 ZINC000490418500 903997544 /nfs/dbraw/zinc/99/75/44/903997544.db2.gz RAHQRJKOZKQKDC-AWEZNQCLSA-N -1 1 417.918 4.148 20 0 HIADMM Cc1cccc(O)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000490731270 904198160 /nfs/dbraw/zinc/19/81/60/904198160.db2.gz HXOCXFSRYVNBCY-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4cccc(F)c43)cc2)c1C ZINC000491083532 904417970 /nfs/dbraw/zinc/41/79/70/904417970.db2.gz XSZFSILYVZLGPX-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000491541130 904643362 /nfs/dbraw/zinc/64/33/62/904643362.db2.gz JAZMSVIBDXIACO-OAQYLSRUSA-N -1 1 400.910 4.151 20 0 HIADMM CC(C)CC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000492292272 904829804 /nfs/dbraw/zinc/82/98/04/904829804.db2.gz XPEIIYFMYLAKCX-AWEZNQCLSA-N -1 1 410.486 4.320 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C)CCCCC3)c2)cc1 ZINC000492712820 904892091 /nfs/dbraw/zinc/89/20/91/904892091.db2.gz VQBXRSHRCMZXRQ-UHFFFAOYSA-N -1 1 416.543 4.339 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCCN1c1ccccc1 ZINC000493212099 905054621 /nfs/dbraw/zinc/05/46/21/905054621.db2.gz WRTDXDBCGISFSQ-JOCHJYFZSA-N -1 1 421.522 4.095 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)cc1OC(C)C ZINC000493365867 905094912 /nfs/dbraw/zinc/09/49/12/905094912.db2.gz AOZMXLWCXBEFLA-UHFFFAOYSA-N -1 1 410.449 4.050 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)s1 ZINC000512410296 921142169 /nfs/dbraw/zinc/14/21/69/921142169.db2.gz IEZBNUSPFFHJLY-GFCCVEGCSA-N -1 1 401.378 4.240 20 0 HIADMM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000494378996 905676511 /nfs/dbraw/zinc/67/65/11/905676511.db2.gz UZKBHLKFJGXCJO-ZETCQYMHSA-N -1 1 410.202 4.127 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc3ccccc32)c1-c1ccc2c(c1)OCO2 ZINC000494460656 905743612 /nfs/dbraw/zinc/74/36/12/905743612.db2.gz YFDLNYYFALZMDT-UHFFFAOYSA-N -1 1 407.451 4.068 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1OCC(F)(F)F ZINC000494618159 905865833 /nfs/dbraw/zinc/86/58/33/905865833.db2.gz QNZGLFWIBRPAAY-UHFFFAOYSA-N -1 1 407.435 4.159 20 0 HIADMM CCC(CC)N(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000494842611 906031544 /nfs/dbraw/zinc/03/15/44/906031544.db2.gz RDIJULMUDDDUCD-UHFFFAOYSA-N -1 1 404.532 4.147 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3cccc(-c4nncn4C)c3)cc2)c1 ZINC000512589431 921251891 /nfs/dbraw/zinc/25/18/91/921251891.db2.gz WPDSLWXJFHHFDV-UHFFFAOYSA-N -1 1 420.494 4.384 20 0 HIADMM COc1cccc2c1CCCN2C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000497506101 906993402 /nfs/dbraw/zinc/99/34/02/906993402.db2.gz BWGGGUIJHMQOMB-UHFFFAOYSA-N -1 1 422.506 4.089 20 0 HIADMM CSCCc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000512726050 921297152 /nfs/dbraw/zinc/29/71/52/921297152.db2.gz SUGORLDGCBXUHC-UHFFFAOYSA-N -1 1 412.536 4.136 20 0 HIADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000512726301 921297412 /nfs/dbraw/zinc/29/74/12/921297412.db2.gz VUHWFMXPMABMSH-UHFFFAOYSA-N -1 1 410.495 4.410 20 0 HIADMM Cc1csc(Nc2ccc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)cc2)n1 ZINC000497688850 907192678 /nfs/dbraw/zinc/19/26/78/907192678.db2.gz PUFXRIVODXYTRY-UHFFFAOYSA-N -1 1 403.467 4.402 20 0 HIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)cc2)o1 ZINC000512780502 921310035 /nfs/dbraw/zinc/31/00/35/921310035.db2.gz BLSWXSDOJCBTQY-UHFFFAOYSA-N -1 1 419.462 4.194 20 0 HIADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000512780779 921310135 /nfs/dbraw/zinc/31/01/35/921310135.db2.gz GUBIYVJWQNKSOX-AWEZNQCLSA-N -1 1 410.495 4.408 20 0 HIADMM O=C([O-])c1ccc2c(c1)[nH]nc2[C@H]1Nc2ccc(Cl)cc2C(=O)N1c1ccncc1 ZINC000497850759 907331275 /nfs/dbraw/zinc/33/12/75/907331275.db2.gz LQLVOTIHZBRDJJ-IBGZPJMESA-N -1 1 419.828 4.081 20 0 HIADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1 ZINC000498032732 907536302 /nfs/dbraw/zinc/53/63/02/907536302.db2.gz GRAWUFSNAAMDOH-UHFFFAOYSA-N -1 1 406.248 4.202 20 0 HIADMM CC(=O)[C@H](C)Sc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000498090103 907598351 /nfs/dbraw/zinc/59/83/51/907598351.db2.gz ZBCUFSIHGXRZQM-NSHDSACASA-N -1 1 410.904 4.352 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(C3CC3)n2)cc1 ZINC000498127050 907644508 /nfs/dbraw/zinc/64/45/08/907644508.db2.gz NDSRVWQAZNHOKP-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM CC[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1nccs1 ZINC000498214094 907743637 /nfs/dbraw/zinc/74/36/37/907743637.db2.gz NIQMJIJJIVIRCN-KRWDZBQOSA-N -1 1 416.528 4.217 20 0 HIADMM Cc1csc([C@H](C)NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)n1 ZINC000498219214 907747541 /nfs/dbraw/zinc/74/75/41/907747541.db2.gz PORKFISIYYVQLL-AWEZNQCLSA-N -1 1 416.528 4.135 20 0 HIADMM CC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccncc1 ZINC000498229919 907760584 /nfs/dbraw/zinc/76/05/84/907760584.db2.gz WAXBRMOMOFKVMC-HXUWFJFHSA-N -1 1 410.499 4.155 20 0 HIADMM CC(C)c1nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)nn1-c1ccccc1Cl ZINC000498316813 907836756 /nfs/dbraw/zinc/83/67/56/907836756.db2.gz SUISCTBUQVSOIS-UHFFFAOYSA-N -1 1 416.816 4.167 20 0 HIADMM CC(C)CN(CC(C)C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000498325608 907840591 /nfs/dbraw/zinc/84/05/91/907840591.db2.gz LDXVWCKZLHOXIO-UHFFFAOYSA-N -1 1 420.550 4.310 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1Oc1ccc(C)nn1 ZINC000498500065 907973525 /nfs/dbraw/zinc/97/35/25/907973525.db2.gz FPOTZQUTPHCFDI-UHFFFAOYSA-N -1 1 419.890 4.349 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC(C)(CC)CC)cc2)cc1 ZINC000498681834 908111427 /nfs/dbraw/zinc/11/14/27/908111427.db2.gz FWXWWRSXHYVGND-UHFFFAOYSA-N -1 1 404.532 4.195 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)cc1 ZINC000499138913 908495400 /nfs/dbraw/zinc/49/54/00/908495400.db2.gz KKIZVEVTGMZSIF-XAUMDUMWSA-N -1 1 400.544 4.350 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000499281673 908660770 /nfs/dbraw/zinc/66/07/70/908660770.db2.gz CIISVELPKXBIBI-UHFFFAOYSA-N -1 1 400.790 4.397 20 0 HIADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(C)c1 ZINC000499299725 908671226 /nfs/dbraw/zinc/67/12/26/908671226.db2.gz JDWNOGTVHFFUTQ-UHFFFAOYSA-N -1 1 424.400 4.149 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OCC)c2)c2ccccc12 ZINC000512942036 921428938 /nfs/dbraw/zinc/42/89/38/921428938.db2.gz BNJSWRPKLXEJCU-UHFFFAOYSA-N -1 1 401.484 4.447 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cnc3ccccc32)cc1)c1ccccc1-c1ccno1 ZINC000499327121 908701977 /nfs/dbraw/zinc/70/19/77/908701977.db2.gz HQKLLMVKFNTNSR-UHFFFAOYSA-N -1 1 416.462 4.481 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c(=O)[n-]1 ZINC000499339649 908713365 /nfs/dbraw/zinc/71/33/65/908713365.db2.gz FBAQVVDFQXEQGE-AWEZNQCLSA-N -1 1 412.342 4.256 20 0 HIADMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000499541509 908834217 /nfs/dbraw/zinc/83/42/17/908834217.db2.gz RFFBHCLXPSFJKA-AWEZNQCLSA-N -1 1 402.447 4.053 20 0 HIADMM O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(Br)c([O-])c1 ZINC000499720127 908889545 /nfs/dbraw/zinc/88/95/45/908889545.db2.gz HCCIKVUGNXBIMR-UHFFFAOYSA-N -1 1 404.182 4.026 20 0 HIADMM CCC[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000500004867 909454231 /nfs/dbraw/zinc/45/42/31/909454231.db2.gz LGXAZHDWSCAZGV-OAHLLOKOSA-N -1 1 420.531 4.269 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)cc1C(F)(F)F ZINC000500326575 909786888 /nfs/dbraw/zinc/78/68/88/909786888.db2.gz QJQUPLMZDRECGL-MRXNPFEDSA-N -1 1 415.433 4.372 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCSCC2)cc1 ZINC000500374681 909822415 /nfs/dbraw/zinc/82/24/15/909822415.db2.gz QQTMOAPGHWLXBI-UHFFFAOYSA-N -1 1 412.964 4.093 20 0 HIADMM O=S(=O)([N-]Cc1ccnc(N2CCCCCC2)c1)c1cc(Cl)sc1Cl ZINC000500468488 909875831 /nfs/dbraw/zinc/87/58/31/909875831.db2.gz ICNGYEBDJFURHN-UHFFFAOYSA-N -1 1 420.387 4.309 20 0 HIADMM CC(C)CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000513108169 921555877 /nfs/dbraw/zinc/55/58/77/921555877.db2.gz KVTRRKBYTJCLOO-UHFFFAOYSA-N -1 1 408.470 4.026 20 0 HIADMM CC(C)Oc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000501080146 910281250 /nfs/dbraw/zinc/28/12/50/910281250.db2.gz MVXSXRCUMHKBTK-UHFFFAOYSA-N -1 1 424.522 4.456 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CC)cc2C)c(C)c1 ZINC000501797152 910849146 /nfs/dbraw/zinc/84/91/46/910849146.db2.gz NZZPAKILKHAMHT-MRXNPFEDSA-N -1 1 404.532 4.031 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CC(=O)N2CCc3ccccc32)cc1 ZINC000501817576 910865906 /nfs/dbraw/zinc/86/59/06/910865906.db2.gz DREYAECMQDYDBM-UHFFFAOYSA-N -1 1 424.497 4.067 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000501954486 910943346 /nfs/dbraw/zinc/94/33/46/910943346.db2.gz LXAYZNBGPKAEOF-UHFFFAOYSA-N -1 1 413.359 4.239 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C[C@@H](C)C1 ZINC000502197291 911139678 /nfs/dbraw/zinc/13/96/78/911139678.db2.gz MZVMTGQQUUUADC-CVEARBPZSA-N -1 1 404.507 4.135 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000502352633 911332005 /nfs/dbraw/zinc/33/20/05/911332005.db2.gz IJRRTPBKUOADSE-IAGOWNOFSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000502491581 911487628 /nfs/dbraw/zinc/48/76/28/911487628.db2.gz JXDVWPXPPQPLQX-UHFFFAOYSA-N -1 1 417.384 4.254 20 0 HIADMM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000502927930 911914047 /nfs/dbraw/zinc/91/40/47/911914047.db2.gz FTISAFINLGUCLW-VQIMIIECSA-N -1 1 402.516 4.021 20 0 HIADMM O=C(Cc1ccc(Cl)s1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000513331030 921718706 /nfs/dbraw/zinc/71/87/06/921718706.db2.gz BMJAJXJGTOVDEE-UHFFFAOYSA-N -1 1 406.916 4.384 20 0 HIADMM CC[C@H](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000506707086 915384261 /nfs/dbraw/zinc/38/42/61/915384261.db2.gz VFQNLVVTOAAMHP-QWHCGFSZSA-N -1 1 410.923 4.467 20 0 HIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)no1 ZINC000506710268 915386765 /nfs/dbraw/zinc/38/67/65/915386765.db2.gz DWFUVCCWIVODSZ-UHFFFAOYSA-N -1 1 401.488 4.446 20 0 HIADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)[nH]n1 ZINC000506861324 915646342 /nfs/dbraw/zinc/64/63/42/915646342.db2.gz LIDMJIFRLMAUPX-VIFPVBQESA-N -1 1 420.318 4.208 20 0 HIADMM O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1nc2ccccc2c(=O)[n-]1 ZINC000507567485 916323508 /nfs/dbraw/zinc/32/35/08/916323508.db2.gz QPJHVOPWOLKLNI-CJNGLKHVSA-N -1 1 401.388 4.008 20 0 HIADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)cc1Cl ZINC000507630505 916390419 /nfs/dbraw/zinc/39/04/19/916390419.db2.gz QARHDLFDEJRNHR-UHFFFAOYSA-N -1 1 409.241 4.339 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)ccc1C ZINC000507644139 916401401 /nfs/dbraw/zinc/40/14/01/916401401.db2.gz KLTUXOWVCVLRRN-UHFFFAOYSA-N -1 1 412.439 4.130 20 0 HIADMM O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000507758558 916545692 /nfs/dbraw/zinc/54/56/92/916545692.db2.gz RVYLAOJJEHZRKN-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)Cc1cccc([O-])c1Cl ZINC000507768297 916553430 /nfs/dbraw/zinc/55/34/30/916553430.db2.gz GMPCSCZTZYLJMI-UHFFFAOYSA-N -1 1 410.901 4.112 20 0 HIADMM O=C(c1ccccc1SCc1cccs1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507871420 916708980 /nfs/dbraw/zinc/70/89/80/916708980.db2.gz DZRZDJPTAPTKTI-ZDUSSCGKSA-N -1 1 401.513 4.149 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCN(c2cncc3ccccc32)CC1 ZINC000507896433 916752327 /nfs/dbraw/zinc/75/23/27/916752327.db2.gz DRBULHQSJGHOPR-UHFFFAOYSA-N -1 1 418.884 4.104 20 0 HIADMM O=C(c1oc2ccccc2c1COc1ccccc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507918810 916798872 /nfs/dbraw/zinc/79/88/72/916798872.db2.gz HQWHMFNJERDTJC-HNNXBMFYSA-N -1 1 419.437 4.120 20 0 HIADMM O=C(Nc1ccccn1)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000508033330 916864590 /nfs/dbraw/zinc/86/45/90/916864590.db2.gz SAALUOZQTWQHJZ-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3c(c2)COC3)c1 ZINC000508402565 917194017 /nfs/dbraw/zinc/19/40/17/917194017.db2.gz NRXJRANYQNTOBM-UHFFFAOYSA-N -1 1 422.506 4.387 20 0 HIADMM CC[C@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCO1 ZINC000508529559 917311871 /nfs/dbraw/zinc/31/18/71/917311871.db2.gz UQGNNKYXGJERJT-KDOFPFPSSA-N -1 1 422.934 4.285 20 0 HIADMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509060406 917807335 /nfs/dbraw/zinc/80/73/35/917807335.db2.gz KSXNQBSQHKFSTB-UHFFFAOYSA-N -1 1 414.449 4.261 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)c1 ZINC000509102251 917841531 /nfs/dbraw/zinc/84/15/31/917841531.db2.gz DZEFHVULTXYGHU-UHFFFAOYSA-N -1 1 412.964 4.249 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1cccc(F)c1)C(C)C ZINC000509256247 917946972 /nfs/dbraw/zinc/94/69/72/917946972.db2.gz PBVYGOOINFIZJX-UHFFFAOYSA-N -1 1 408.477 4.062 20 0 HIADMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000509375072 918041549 /nfs/dbraw/zinc/04/15/49/918041549.db2.gz WNCIZDAPUVBRDR-UHFFFAOYSA-N -1 1 423.785 4.335 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(-c3noc(C(F)(F)F)n3)c2)c1 ZINC000509376529 918042582 /nfs/dbraw/zinc/04/25/82/918042582.db2.gz ATWIADSHRYQUKX-UHFFFAOYSA-N -1 1 415.418 4.278 20 0 HIADMM Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)n1 ZINC000509390530 918056545 /nfs/dbraw/zinc/05/65/45/918056545.db2.gz INFDMSSEMZWIFY-UHFFFAOYSA-N -1 1 410.421 4.012 20 0 HIADMM O=C(CC1(N2CCOCC2)CCCC1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000509480182 918126966 /nfs/dbraw/zinc/12/69/66/918126966.db2.gz OARCITSJYPHQGN-UHFFFAOYSA-N -1 1 407.725 4.326 20 0 HIADMM Cc1nc(-c2ccc(N3CCC(N4CCc5cc(F)ccc54)CC3)nc2)[n-]c(=O)c1C ZINC000509491356 918135353 /nfs/dbraw/zinc/13/53/53/918135353.db2.gz HMMASURCDNAZLA-UHFFFAOYSA-N -1 1 419.504 4.032 20 0 HIADMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000509793295 918400897 /nfs/dbraw/zinc/40/08/97/918400897.db2.gz YFCMCVSLHGFWCC-SFYZADRCSA-N -1 1 417.138 4.064 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000509887766 918489792 /nfs/dbraw/zinc/48/97/92/918489792.db2.gz ZLPCCWPBEUDWTG-HXUWFJFHSA-N -1 1 408.546 4.447 20 0 HIADMM COc1ccc(N(CC(C)C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000509931412 918530752 /nfs/dbraw/zinc/53/07/52/918530752.db2.gz RSOKCBPMAJDXIQ-UHFFFAOYSA-N -1 1 420.513 4.183 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)cc1O ZINC000510048322 918619768 /nfs/dbraw/zinc/61/97/68/918619768.db2.gz LLQFDGHTDONKLQ-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1csc([C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C2CC2)n1 ZINC000510341795 918842073 /nfs/dbraw/zinc/84/20/73/918842073.db2.gz MQLAYJYIWZDIDL-GFCCVEGCSA-N -1 1 421.769 4.297 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)ccc1OC(C)C ZINC000511147656 919767696 /nfs/dbraw/zinc/76/76/96/919767696.db2.gz UYCBJLHNIPJKCE-UHFFFAOYSA-N -1 1 416.543 4.255 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)c2ccccc12 ZINC000511194504 919811735 /nfs/dbraw/zinc/81/17/35/919811735.db2.gz RUSMXOQOUZWGGW-UHFFFAOYSA-N -1 1 424.522 4.162 20 0 HIADMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1cc(Cl)ccc1Br ZINC000511363003 919957532 /nfs/dbraw/zinc/95/75/32/919957532.db2.gz WKHKIFKCSXOFPF-UHFFFAOYSA-N -1 1 406.651 4.113 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cs1 ZINC000511709921 920375426 /nfs/dbraw/zinc/37/54/26/920375426.db2.gz HIOHDVFVFQIMFL-UHFFFAOYSA-N -1 1 410.860 4.088 20 0 HIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(Cl)c2)cc1 ZINC000511715062 920380678 /nfs/dbraw/zinc/38/06/78/920380678.db2.gz MATZYODILKXURI-UHFFFAOYSA-N -1 1 408.951 4.431 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC[C@H]3C)c2)cc1 ZINC000511810888 920508266 /nfs/dbraw/zinc/50/82/66/920508266.db2.gz WUOKWVICINFEEF-QGZVFWFLSA-N -1 1 416.543 4.291 20 0 HIADMM Cc1nscc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000511826294 920524691 /nfs/dbraw/zinc/52/46/91/920524691.db2.gz NIIIUKBWIOIMJH-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCOCC1 ZINC000511862160 920586916 /nfs/dbraw/zinc/58/69/16/920586916.db2.gz VVIWUVFSIBNCNC-UHFFFAOYSA-N -1 1 420.383 4.390 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000511923454 920667836 /nfs/dbraw/zinc/66/78/36/920667836.db2.gz PVSALCDFPAUSHW-JOCHJYFZSA-N -1 1 420.534 4.117 20 0 HIADMM CCCCN(C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H](CC)c1ccccc1 ZINC000513581396 921913126 /nfs/dbraw/zinc/91/31/26/921913126.db2.gz XHQLMUNFAORVBB-QFIPXVFZSA-N -1 1 418.541 4.463 20 0 HIADMM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000513647554 921969809 /nfs/dbraw/zinc/96/98/09/921969809.db2.gz KKCMARQTXGHEEV-UHFFFAOYSA-N -1 1 411.874 4.393 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC3CCC(C(C)(C)CC)CC3)CC2)n1 ZINC000513704308 922024504 /nfs/dbraw/zinc/02/45/04/922024504.db2.gz GURCUWHTWYUWSC-UHFFFAOYSA-N -1 1 418.582 4.320 20 0 HIADMM Cc1ccc(Cn2cccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)c2=O)cc1 ZINC000513812323 922135767 /nfs/dbraw/zinc/13/57/67/922135767.db2.gz IZJZCOXYEFMBEG-UHFFFAOYSA-N -1 1 423.321 4.313 20 0 HIADMM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000513811664 922135832 /nfs/dbraw/zinc/13/58/32/922135832.db2.gz VXLOEOPKXDSSOD-AWEZNQCLSA-N -1 1 413.499 4.225 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)CCc2ccccc2)c1 ZINC000514532288 922679052 /nfs/dbraw/zinc/67/90/52/922679052.db2.gz FYDHSJVOAGXQDK-UHFFFAOYSA-N -1 1 422.550 4.419 20 0 HIADMM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000514628498 922732083 /nfs/dbraw/zinc/73/20/83/922732083.db2.gz GRJJUTBPCCHPIV-CLAHSXSESA-N -1 1 420.687 4.042 20 0 HIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCC4)ccc21 ZINC000514755887 922785464 /nfs/dbraw/zinc/78/54/64/922785464.db2.gz KUEAPRDKNVCSMF-UHFFFAOYSA-N -1 1 411.527 4.151 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC2(CCCC2)CC1 ZINC000514758627 922788544 /nfs/dbraw/zinc/78/85/44/922788544.db2.gz OJNFCGDIODJXCI-UHFFFAOYSA-N -1 1 416.518 4.423 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)c(=O)[n-]1 ZINC000514908897 922842900 /nfs/dbraw/zinc/84/29/00/922842900.db2.gz NPSOIMBFKDYBPV-UHFFFAOYSA-N -1 1 407.495 4.015 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1)C1CC1 ZINC000515064438 922892504 /nfs/dbraw/zinc/89/25/04/922892504.db2.gz TXIFPIKRBJMUGL-UHFFFAOYSA-N -1 1 404.491 4.407 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)s1 ZINC000515574086 923189314 /nfs/dbraw/zinc/18/93/14/923189314.db2.gz GHQHTZYEEPDWNU-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)ccc1NC(C)=O ZINC000515633479 923234605 /nfs/dbraw/zinc/23/46/05/923234605.db2.gz OCZMENAVWPIHIU-UHFFFAOYSA-N -1 1 408.479 4.026 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1 ZINC000515633600 923234628 /nfs/dbraw/zinc/23/46/28/923234628.db2.gz OYYBWCMGWHDBCH-UHFFFAOYSA-N -1 1 416.421 4.213 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000515691180 923273979 /nfs/dbraw/zinc/27/39/79/923273979.db2.gz SPNVLZBQVQEIRF-UHFFFAOYSA-N -1 1 415.342 4.488 20 0 HIADMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000516019878 923505617 /nfs/dbraw/zinc/50/56/17/923505617.db2.gz XFAPHTLFBBVFLS-UHFFFAOYSA-N -1 1 401.315 4.241 20 0 HIADMM CCc1oc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cc1C(=O)[O-] ZINC000516197154 923593028 /nfs/dbraw/zinc/59/30/28/923593028.db2.gz YEFJPQCMFOFUHL-UHFFFAOYSA-N -1 1 407.401 4.399 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC000516550793 923790741 /nfs/dbraw/zinc/79/07/41/923790741.db2.gz KTTJVYSKCZAQKS-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM O=S(=O)([N-]Cc1ccnc(Oc2ccccc2F)c1)c1cc(Cl)ccc1F ZINC000517250806 924061768 /nfs/dbraw/zinc/06/17/68/924061768.db2.gz QPLKXAWTSRIRAY-UHFFFAOYSA-N -1 1 410.829 4.284 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCc4ccc(F)cc43)c2)c1 ZINC000518044066 926982665 /nfs/dbraw/zinc/98/26/65/926982665.db2.gz PMBBRYAEHAGOGH-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(F)c(F)c(F)c1F ZINC000518054235 926990837 /nfs/dbraw/zinc/99/08/37/926990837.db2.gz XUWVBBCQYLTHLK-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM O=C(CC[C@H]1CCCCO1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000518390839 927236365 /nfs/dbraw/zinc/23/63/65/927236365.db2.gz OXZONOQBQOGUGW-MRXNPFEDSA-N -1 1 424.469 4.053 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C4CC4)n3)cc2)c(Cl)c1 ZINC000518883796 927597208 /nfs/dbraw/zinc/59/72/08/927597208.db2.gz SIYMXIKCMGKVBH-UHFFFAOYSA-N -1 1 419.890 4.289 20 0 HIADMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000519059670 927735549 /nfs/dbraw/zinc/73/55/49/927735549.db2.gz KAJWMKVMQWXIEH-UHFFFAOYSA-N -1 1 424.522 4.206 20 0 HIADMM Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000519157890 927806258 /nfs/dbraw/zinc/80/62/58/927806258.db2.gz NTSQAFRPBWJUTI-GOSISDBHSA-N -1 1 408.523 4.157 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1NC(=O)c1ccncc1 ZINC000519200955 927824280 /nfs/dbraw/zinc/82/42/80/927824280.db2.gz UGYWQTHPDAFVCT-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2C)ccc1F ZINC000519231350 927838809 /nfs/dbraw/zinc/83/88/09/927838809.db2.gz XCXGDGKIXGHPBJ-MRXNPFEDSA-N -1 1 404.507 4.258 20 0 HIADMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)C(C)(C)C ZINC000519255900 927849399 /nfs/dbraw/zinc/84/93/99/927849399.db2.gz MIPGNPQYRYZIJP-IBGZPJMESA-N -1 1 404.532 4.051 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3ccccn3)c2)cc1 ZINC000519349629 927892745 /nfs/dbraw/zinc/89/27/45/927892745.db2.gz LTHSRKKNCLDZOL-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(c2ccc(C)cn2)C2CCCCC2)c(=O)[n-]1 ZINC000519407014 927927109 /nfs/dbraw/zinc/92/71/09/927927109.db2.gz NVZBNJRYHPURHS-UHFFFAOYSA-N -1 1 400.548 4.214 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C)c1 ZINC000519994297 928222414 /nfs/dbraw/zinc/22/24/14/928222414.db2.gz HGHRYNADMPHQBV-MRXNPFEDSA-N -1 1 400.544 4.203 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1c(Cl)cccc1Cl ZINC000520028376 928250199 /nfs/dbraw/zinc/25/01/99/928250199.db2.gz SNQQXMLMSSEIPL-HOTGVXAUSA-N -1 1 404.290 4.331 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)c3cccnc3)cc2)c1 ZINC000520104021 928313187 /nfs/dbraw/zinc/31/31/87/928313187.db2.gz FYUKMAHOAOWHRR-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM C[C@@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2)C1 ZINC000520141296 928337123 /nfs/dbraw/zinc/33/71/23/928337123.db2.gz QUWJSGDCIAMQAR-RHSMWYFYSA-N -1 1 415.515 4.165 20 0 HIADMM CC(C)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000520406126 928550918 /nfs/dbraw/zinc/55/09/18/928550918.db2.gz DIKDPWSQIVSIRR-LJQANCHMSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000520525392 928618998 /nfs/dbraw/zinc/61/89/98/928618998.db2.gz XRKUHUWCFAVKJI-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM Cc1cc(C)n2nc(C(=O)[N-]c3cc(Cl)ccc3SCC(F)(F)F)nc2n1 ZINC000520667165 928710464 /nfs/dbraw/zinc/71/04/64/928710464.db2.gz CWCCVXCCJMBIJS-UHFFFAOYSA-N -1 1 415.828 4.301 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)cc1Cl ZINC000520975142 928898659 /nfs/dbraw/zinc/89/86/59/928898659.db2.gz SZVASHBCJANMPW-UHFFFAOYSA-N -1 1 413.923 4.091 20 0 HIADMM CCC[C@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000520985523 928903727 /nfs/dbraw/zinc/90/37/27/928903727.db2.gz IDRNFCWQFGUIHN-KRWDZBQOSA-N -1 1 404.532 4.195 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(Cc3cccs3)no2)cc1 ZINC000521027495 928944176 /nfs/dbraw/zinc/94/41/76/928944176.db2.gz RBTKFANIDUBKCB-UHFFFAOYSA-N -1 1 411.508 4.498 20 0 HIADMM CC(=O)c1csc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000521248612 929080795 /nfs/dbraw/zinc/08/07/95/929080795.db2.gz ZHNJCXHLFBAXIF-UHFFFAOYSA-N -1 1 400.481 4.004 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(CC(C)(C)C)nc3c2)cc1OC ZINC000521327504 929143577 /nfs/dbraw/zinc/14/35/77/929143577.db2.gz IUWZCNWBOHYQCK-UHFFFAOYSA-N -1 1 404.488 4.234 20 0 HIADMM CC[C@@H](NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C(C)(C)C ZINC000521556623 929294049 /nfs/dbraw/zinc/29/40/49/929294049.db2.gz IRYULFSHYHUBOM-LJQANCHMSA-N -1 1 403.548 4.111 20 0 HIADMM Cc1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)s1 ZINC000521696600 929371176 /nfs/dbraw/zinc/37/11/76/929371176.db2.gz OWPOPQNSWLITGZ-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM CN(CC1CCCC1)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000521796413 929455426 /nfs/dbraw/zinc/45/54/26/929455426.db2.gz GSFUOGATAQLHLC-UHFFFAOYSA-N -1 1 406.935 4.403 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(Cc4ccccc4)no3)c2)cc1 ZINC000521892737 929540277 /nfs/dbraw/zinc/54/02/77/929540277.db2.gz RFBMPJPHPXCOAN-UHFFFAOYSA-N -1 1 421.478 4.137 20 0 HIADMM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000524846980 929855536 /nfs/dbraw/zinc/85/55/36/929855536.db2.gz HKFYDUIVVURQAC-MJGOQNOKSA-N -1 1 400.544 4.494 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C(C)C)C3CCC3)c2)cc1 ZINC000524879506 929869614 /nfs/dbraw/zinc/86/96/14/929869614.db2.gz PXPAJPNXBXFXOJ-UHFFFAOYSA-N -1 1 416.543 4.289 20 0 HIADMM CC[C@@H]1CCC[C@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000524885861 929872557 /nfs/dbraw/zinc/87/25/57/929872557.db2.gz RHORUUGOFJNSNV-UZLBHIALSA-N -1 1 418.534 4.254 20 0 HIADMM CC[C@H]1CCC[C@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000524885858 929872877 /nfs/dbraw/zinc/87/28/77/929872877.db2.gz RHORUUGOFJNSNV-JXFKEZNVSA-N -1 1 418.534 4.254 20 0 HIADMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000525069113 930015707 /nfs/dbraw/zinc/01/57/07/930015707.db2.gz RLSSOLZYWCAYFK-UHFFFAOYSA-N -1 1 424.522 4.457 20 0 HIADMM C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000525093233 930030312 /nfs/dbraw/zinc/03/03/12/930030312.db2.gz ZATGLHZWNOYQPV-QGZVFWFLSA-N -1 1 406.507 4.074 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000525100540 930034881 /nfs/dbraw/zinc/03/48/81/930034881.db2.gz DZYSUSMYAZYQCT-NZQKXSOJSA-N -1 1 420.534 4.157 20 0 HIADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000525104789 930038630 /nfs/dbraw/zinc/03/86/30/930038630.db2.gz GFLHANVRHKVWRC-HUUCEWRRSA-N -1 1 422.497 4.416 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)[C@H]3C)ccc2C)cc1 ZINC000525107743 930040305 /nfs/dbraw/zinc/04/03/05/930040305.db2.gz LRFXJEFVFXCOAO-SJLPKXTDSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1OCC1CCOCC1 ZINC000525480265 930269086 /nfs/dbraw/zinc/26/90/86/930269086.db2.gz NYKZAHOUOJVCJS-UHFFFAOYSA-N -1 1 401.528 4.090 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccc([S@](C)=O)c3)cc2)cc1 ZINC000525481574 930270687 /nfs/dbraw/zinc/27/06/87/930270687.db2.gz AJMMTQFVHMUAHY-MHZLTWQESA-N -1 1 417.508 4.026 20 0 HIADMM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3c(C)cc(OC)cc3C)cn2)cc1 ZINC000525535834 930309003 /nfs/dbraw/zinc/30/90/03/930309003.db2.gz SYNQLDJECONKCX-UHFFFAOYSA-N -1 1 414.483 4.309 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)[C@H]3C)cc2)cc1 ZINC000525620277 930366717 /nfs/dbraw/zinc/36/67/17/930366717.db2.gz KNGNZKUOFOERSI-DLBZAZTESA-N -1 1 416.543 4.147 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])C1=CCCCC1 ZINC000525871009 930473286 /nfs/dbraw/zinc/47/32/86/930473286.db2.gz IOUHLHDQGPEJIS-UHFFFAOYSA-N -1 1 406.891 4.285 20 0 HIADMM COc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc(Cl)c1[O-] ZINC000527198422 930610377 /nfs/dbraw/zinc/61/03/77/930610377.db2.gz QSSHZXJNNGTLOX-UHFFFAOYSA-N -1 1 412.877 4.291 20 0 HIADMM C[C@H]1C[C@H](C)N1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000527473511 930664437 /nfs/dbraw/zinc/66/44/37/930664437.db2.gz QHTFOVFJKYQOMY-RYUDHWBXSA-N -1 1 403.276 4.030 20 0 HIADMM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c(Br)c1 ZINC000530373920 930696804 /nfs/dbraw/zinc/69/68/04/930696804.db2.gz FWEFNRBZJLRWCN-AWEZNQCLSA-N -1 1 424.238 4.040 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1Cl ZINC000530654655 930787508 /nfs/dbraw/zinc/78/75/08/930787508.db2.gz IAKQSRBJEIUSOG-UHFFFAOYSA-N -1 1 407.879 4.364 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])[C@@H]1CC=CCC1 ZINC000531112881 930924412 /nfs/dbraw/zinc/92/44/12/930924412.db2.gz MSBPIYVECLQWGL-CYBMUJFWSA-N -1 1 406.891 4.141 20 0 HIADMM O=C(Nc1cccc2ccncc21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000531280659 930997968 /nfs/dbraw/zinc/99/79/68/930997968.db2.gz VNXXNPUHHDFKFT-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000531549524 931100272 /nfs/dbraw/zinc/10/02/72/931100272.db2.gz RIKIXEPIPGVKDT-UHFFFAOYSA-N -1 1 400.438 4.001 20 0 HIADMM CCC[C@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1nn[n-]n1 ZINC000531571160 931106159 /nfs/dbraw/zinc/10/61/59/931106159.db2.gz UCSPEFJDIGPNOJ-VIFPVBQESA-N -1 1 403.817 4.358 20 0 HIADMM O=C(NC1(C2CC2)CC1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000531613649 931126375 /nfs/dbraw/zinc/12/63/75/931126375.db2.gz WOSMNLYQIKFKTM-UHFFFAOYSA-N -1 1 424.444 4.179 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(C(F)(F)F)cn1 ZINC000531695946 931159730 /nfs/dbraw/zinc/15/97/30/931159730.db2.gz COXLADFVJNTPBE-UHFFFAOYSA-N -1 1 408.361 4.038 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1-c1ncco1 ZINC000531950849 931260712 /nfs/dbraw/zinc/26/07/12/931260712.db2.gz RLGIMQAVNOMFCD-UHFFFAOYSA-N -1 1 413.499 4.435 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c(C)n1 ZINC000532030718 931291659 /nfs/dbraw/zinc/29/16/59/931291659.db2.gz ZDEBKMIKVGQPCH-UHFFFAOYSA-N -1 1 417.437 4.030 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1Cl ZINC000532033017 931292372 /nfs/dbraw/zinc/29/23/72/931292372.db2.gz ICUNNZOIELGKRT-UHFFFAOYSA-N -1 1 408.907 4.159 20 0 HIADMM COc1ccc(-n2c(SCC(=O)c3ccc([O-])cc3)nnc2-c2ccco2)cc1 ZINC000532273444 931379968 /nfs/dbraw/zinc/37/99/68/931379968.db2.gz JOOGORBXXZHKNM-UHFFFAOYSA-N -1 1 407.451 4.217 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3sc(C)cc3Br)c2C)o1 ZINC000532907586 931687389 /nfs/dbraw/zinc/68/73/89/931687389.db2.gz WTVMMPVNKIDYEQ-UHFFFAOYSA-N -1 1 416.322 4.220 20 0 HIADMM O=C(Nc1ccc(Cl)cc1O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000533160256 931793887 /nfs/dbraw/zinc/79/38/87/931793887.db2.gz XMBIJGCVBKPYDB-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)cc2C[C@H]1C ZINC000533549960 931898698 /nfs/dbraw/zinc/89/86/98/931898698.db2.gz OMHSAUQDIQYCOZ-MRXNPFEDSA-N -1 1 406.507 4.452 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)cc2C[C@@H]1C ZINC000533549959 931898907 /nfs/dbraw/zinc/89/89/07/931898907.db2.gz OMHSAUQDIQYCOZ-INIZCTEOSA-N -1 1 406.507 4.452 20 0 HIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1cnc([C@@H]2CCCO2)s1 ZINC000534083518 932262824 /nfs/dbraw/zinc/26/28/24/932262824.db2.gz GTGAEVDBHBAZAS-JTQLQIEISA-N -1 1 410.571 4.452 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1 ZINC000534355001 932391078 /nfs/dbraw/zinc/39/10/78/932391078.db2.gz RDIGYELIQBORSE-UHFFFAOYSA-N -1 1 413.817 4.102 20 0 HIADMM CC(C)CNS(=O)(=O)c1ccc(-c2nc3sc4ccccc4c3c(=O)[n-]2)cc1 ZINC000534677495 932647100 /nfs/dbraw/zinc/64/71/00/932647100.db2.gz CJQNWIGBTDNOLR-UHFFFAOYSA-N -1 1 413.524 4.151 20 0 HIADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2nc1C1CC1 ZINC000534793544 932773682 /nfs/dbraw/zinc/77/36/82/932773682.db2.gz ZAJISWIMWOEPLX-UHFFFAOYSA-N -1 1 406.305 4.014 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3O)cc2)c1 ZINC000535419687 933126945 /nfs/dbraw/zinc/12/69/45/933126945.db2.gz HHZHFBPLECLQDT-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccc(-c4nnco4)c3)cc2)cc1 ZINC000535654387 933297679 /nfs/dbraw/zinc/29/76/79/933297679.db2.gz HLRQSUHVRMNUQW-UHFFFAOYSA-N -1 1 423.450 4.338 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)cc1 ZINC000535738062 933372724 /nfs/dbraw/zinc/37/27/24/933372724.db2.gz VFWURONHYVUCHG-UHFFFAOYSA-N -1 1 404.532 4.257 20 0 HIADMM Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000537400687 933759132 /nfs/dbraw/zinc/75/91/32/933759132.db2.gz FFZVIQTWLOXKKW-UHFFFAOYSA-N -1 1 407.323 4.494 20 0 HIADMM Cc1ccc(NC(=O)Cc2nc(CSc3nc(C)c(C)c(=O)[n-]3)cs2)cc1 ZINC000537413520 933763690 /nfs/dbraw/zinc/76/36/90/933763690.db2.gz QPJORFRRZGWSHU-UHFFFAOYSA-N -1 1 400.529 4.037 20 0 HIADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000538050245 938483232 /nfs/dbraw/zinc/48/32/32/938483232.db2.gz JVTWBMDHXSJUQJ-NSHDSACASA-N -1 1 418.412 4.348 20 0 HIADMM O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1c(F)ccc([O-])c1F ZINC000538320781 938591653 /nfs/dbraw/zinc/59/16/53/938591653.db2.gz OKILOMSDFYQSNN-UHFFFAOYSA-N -1 1 417.433 4.038 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2)ccc1F ZINC000538496495 938635602 /nfs/dbraw/zinc/63/56/02/938635602.db2.gz MQJSUZHOXYEDRV-UHFFFAOYSA-N -1 1 417.437 4.468 20 0 HIADMM O=C(NCCCc1cccs1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000538818508 938719814 /nfs/dbraw/zinc/71/98/14/938719814.db2.gz YZLJLBXOWZPRFX-UHFFFAOYSA-N -1 1 418.515 4.051 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000539135426 938809232 /nfs/dbraw/zinc/80/92/32/938809232.db2.gz GKVCZHNEYWAHIJ-GOSISDBHSA-N -1 1 420.600 4.318 20 0 HIADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000539150624 938811663 /nfs/dbraw/zinc/81/16/63/938811663.db2.gz WNDZHBFKTUKQTP-NSHDSACASA-N -1 1 418.412 4.348 20 0 HIADMM Cc1ccc(C)c(SCc2cccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)c2)c1 ZINC000539325251 938841752 /nfs/dbraw/zinc/84/17/52/938841752.db2.gz WALODMMYAXJFAA-IBGZPJMESA-N -1 1 407.543 4.129 20 0 HIADMM O=C([O-])COc1cccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1 ZINC000539576396 938882506 /nfs/dbraw/zinc/88/25/06/938882506.db2.gz MKYFSCQRTMPPLA-UHFFFAOYSA-N -1 1 405.385 4.085 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000539929639 938978660 /nfs/dbraw/zinc/97/86/60/938978660.db2.gz MWQXCMVVAPOIMJ-UHFFFAOYSA-N -1 1 405.332 4.212 20 0 HIADMM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000539953475 938980961 /nfs/dbraw/zinc/98/09/61/938980961.db2.gz DCJWZKIHPXOBLM-UHFFFAOYSA-N -1 1 420.718 4.279 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)cc1 ZINC000540215601 939131535 /nfs/dbraw/zinc/13/15/35/939131535.db2.gz KJXNQRHZVKUBSS-UHFFFAOYSA-N -1 1 405.516 4.159 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nccn2C)cc1 ZINC000540214796 939131638 /nfs/dbraw/zinc/13/16/38/939131638.db2.gz IUTSHMRNTVWMME-UHFFFAOYSA-N -1 1 403.529 4.159 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000540234891 939155813 /nfs/dbraw/zinc/15/58/13/939155813.db2.gz YKPMOIAQUOBAIK-SFHVURJKSA-N -1 1 406.573 4.009 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000540250354 939168302 /nfs/dbraw/zinc/16/83/02/939168302.db2.gz UBEWUZGNJPTNTQ-STQMWFEESA-N -1 1 417.289 4.246 20 0 HIADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccccc1C(F)(F)F ZINC000540252025 939169115 /nfs/dbraw/zinc/16/91/15/939169115.db2.gz OTVWWXDULFSTER-NSHDSACASA-N -1 1 418.412 4.348 20 0 HIADMM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)cc1Br ZINC000540337598 939198920 /nfs/dbraw/zinc/19/89/20/939198920.db2.gz AYZZISKWTILXQA-UHFFFAOYSA-N -1 1 411.321 4.134 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@H](Nc2ccccc2)C1 ZINC000563654071 945238361 /nfs/dbraw/zinc/23/83/61/945238361.db2.gz BOPXKHKJIXMTKM-CQSZACIVSA-N -1 1 412.287 4.030 20 0 HIADMM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(C)c3Cl)n2)cc1F ZINC000540517388 939284766 /nfs/dbraw/zinc/28/47/66/939284766.db2.gz SDASUAVZLIUZRV-LBPRGKRZSA-N -1 1 409.870 4.185 20 0 HIADMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540646503 939329853 /nfs/dbraw/zinc/32/98/53/939329853.db2.gz OWSGVOOOMWXAQC-MAUKXSAKSA-N -1 1 415.415 4.350 20 0 HIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)ccc2[nH]1 ZINC000540697443 939342082 /nfs/dbraw/zinc/34/20/82/939342082.db2.gz SFBKSYFRAHXKRO-UHFFFAOYSA-N -1 1 410.417 4.219 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCO[C@H](C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000540706092 939344642 /nfs/dbraw/zinc/34/46/42/939344642.db2.gz GTKWRMODXGQEAF-HUUCEWRRSA-N -1 1 422.934 4.203 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540795687 939375464 /nfs/dbraw/zinc/37/54/64/939375464.db2.gz ZJJNGJPOBNMNFY-ZIAGYGMSSA-N -1 1 411.449 4.297 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cc1Cl ZINC000541164936 939483624 /nfs/dbraw/zinc/48/36/24/939483624.db2.gz IFIUQJOGBLRMAJ-VIFPVBQESA-N -1 1 400.283 4.320 20 0 HIADMM CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)n[nH]1 ZINC000541306259 939490287 /nfs/dbraw/zinc/49/02/87/939490287.db2.gz JNZQRMQDYCNCJT-UHFFFAOYSA-N -1 1 422.457 4.040 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C12CCC(CC1)C2 ZINC000541399495 939505703 /nfs/dbraw/zinc/50/57/03/939505703.db2.gz WUUHZYWVOAXWGH-UHFFFAOYSA-N -1 1 406.454 4.284 20 0 HIADMM CS[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(C)(C)C ZINC000542367121 939808635 /nfs/dbraw/zinc/80/86/35/939808635.db2.gz JYSRWACHYLOAIA-SFHVURJKSA-N -1 1 424.563 4.134 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3nccs3)c2)c1 ZINC000542612195 939848428 /nfs/dbraw/zinc/84/84/28/939848428.db2.gz MCBMCWOMGQCKMB-UHFFFAOYSA-N -1 1 420.450 4.317 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)c1 ZINC000542659574 939852148 /nfs/dbraw/zinc/85/21/48/939852148.db2.gz FNXPAQLUKCYJMU-UHFFFAOYSA-N -1 1 423.473 4.354 20 0 HIADMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)nn1[C@H](C)C1CC1 ZINC000543311693 940025623 /nfs/dbraw/zinc/02/56/23/940025623.db2.gz OPZOIYZPFZOKJX-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3CCCCS3)cc2)cc1C ZINC000543330047 940032506 /nfs/dbraw/zinc/03/25/06/940032506.db2.gz XJJXGFIKYJZEQI-IBGZPJMESA-N -1 1 418.584 4.120 20 0 HIADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000543353860 940039455 /nfs/dbraw/zinc/03/94/55/940039455.db2.gz RPYFLWZULXMLMO-INIZCTEOSA-N -1 1 402.491 4.055 20 0 HIADMM CCC(C)(C)OCc1ccccc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000543493078 940082854 /nfs/dbraw/zinc/08/28/54/940082854.db2.gz ZHBDHIDQYZAOTG-UHFFFAOYSA-N -1 1 403.548 4.489 20 0 HIADMM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000543609872 940129870 /nfs/dbraw/zinc/12/98/70/940129870.db2.gz VVFBTNOSWZJNOR-VGOFRKELSA-N -1 1 421.522 4.106 20 0 HIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)c2C1 ZINC000543794632 940188690 /nfs/dbraw/zinc/18/86/90/940188690.db2.gz RVQNWMRRHKXOEC-UHFFFAOYSA-N -1 1 415.559 4.198 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000543833650 940203065 /nfs/dbraw/zinc/20/30/65/940203065.db2.gz PQKGDGPJDFWODX-NRFANRHFSA-N -1 1 418.900 4.290 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCCCOC(C)C)c1 ZINC000544038378 940306900 /nfs/dbraw/zinc/30/69/00/940306900.db2.gz UHJZMHQBEDMELR-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c1 ZINC000563912171 945323203 /nfs/dbraw/zinc/32/32/03/945323203.db2.gz YQAINCREXCMMDU-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM O=S(=O)([N-][C@@H]1CCSc2ccc(Cl)cc21)c1ccc(Br)o1 ZINC000544746102 940510305 /nfs/dbraw/zinc/51/03/05/940510305.db2.gz OMZYRUJBPIZJQG-SNVBAGLBSA-N -1 1 408.726 4.211 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@H]1CCc1ccccc1 ZINC000544852030 940519383 /nfs/dbraw/zinc/51/93/83/940519383.db2.gz AXCVHDZDHVEGLF-INIZCTEOSA-N -1 1 421.278 4.234 20 0 HIADMM O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc(I)c([O-])c1 ZINC000544868278 940520396 /nfs/dbraw/zinc/52/03/96/940520396.db2.gz GQWNCNWMBMWGLB-UHFFFAOYSA-N -1 1 421.156 4.354 20 0 HIADMM CC(C)(C)[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000544889939 940522103 /nfs/dbraw/zinc/52/21/03/940522103.db2.gz OTDZCOUWMAJJNE-INIZCTEOSA-N -1 1 401.532 4.387 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3C)cc2oc1=O ZINC000545225415 940557118 /nfs/dbraw/zinc/55/71/18/940557118.db2.gz GUFJBTTUWKJYLV-UHFFFAOYSA-N -1 1 408.479 4.391 20 0 HIADMM O=C(Nc1ccccc1-c1ccc(-c2ccccc2)cc1)c1cc(=O)n2[n-]cnc2n1 ZINC000545378794 940567210 /nfs/dbraw/zinc/56/72/10/940567210.db2.gz OCINIDFHLDNXEI-UHFFFAOYSA-N -1 1 407.433 4.004 20 0 HIADMM CC[C@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000545507469 940572327 /nfs/dbraw/zinc/57/23/27/940572327.db2.gz QODUJUKDSXQAEV-OAHLLOKOSA-N -1 1 414.449 4.257 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000545509271 940572416 /nfs/dbraw/zinc/57/24/16/940572416.db2.gz IWDQEXLMPAHKIC-XAVKZTDYSA-N -1 1 419.262 4.315 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000545509270 940572447 /nfs/dbraw/zinc/57/24/47/940572447.db2.gz IWDQEXLMPAHKIC-SIJIIQCFSA-N -1 1 419.262 4.315 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(CCc3ccco3)no2)cc1 ZINC000545782461 940589687 /nfs/dbraw/zinc/58/96/87/940589687.db2.gz PDPSVMAWNIGEQF-UHFFFAOYSA-N -1 1 409.467 4.224 20 0 HIADMM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000563987484 945336903 /nfs/dbraw/zinc/33/69/03/945336903.db2.gz HTBBMIQUSHGWIW-CQSZACIVSA-N -1 1 424.526 4.229 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(C(=O)OC)ccc2OC(C)C)cc(Cl)c1[O-] ZINC000545877470 940648956 /nfs/dbraw/zinc/64/89/56/940648956.db2.gz OXUMZMUBKQAQGY-UHFFFAOYSA-N -1 1 407.850 4.270 20 0 HIADMM CC(C)c1ccc(-c2csc(NC(=O)c3cc(=O)n4[n-]cnc4n3)n2)c(C(C)C)c1 ZINC000546085095 940694522 /nfs/dbraw/zinc/69/45/22/940694522.db2.gz CQMZHAURDAVRLF-UHFFFAOYSA-N -1 1 422.514 4.040 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(Cc3cccc(F)c3)no2)c1)c1ccccc1 ZINC000546260444 940751897 /nfs/dbraw/zinc/75/18/97/940751897.db2.gz IQIYRXKYHYWUBV-UHFFFAOYSA-N -1 1 409.442 4.267 20 0 HIADMM Cc1cc(Cc2noc(-c3cc(S(=O)(=O)[N-]c4cccc(C)c4)ccc3C)n2)no1 ZINC000546435129 940819333 /nfs/dbraw/zinc/81/93/33/940819333.db2.gz MJMYRGBXKXUMMK-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM CCS[C@H](C)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000546489178 940834162 /nfs/dbraw/zinc/83/41/62/940834162.db2.gz VOSNTBPZGMKLFH-GFCCVEGCSA-N -1 1 407.492 4.491 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@@H](C)c4ccncc4)no3)cc2)cc1 ZINC000546509462 940839452 /nfs/dbraw/zinc/83/94/52/940839452.db2.gz AIGMPCCYOWISME-INIZCTEOSA-N -1 1 420.494 4.393 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nc([C@@H](C)C4CC4)no3)c2)cc1 ZINC000546521423 940842271 /nfs/dbraw/zinc/84/22/71/940842271.db2.gz JCJBYOONQWXNIP-AWEZNQCLSA-N -1 1 413.499 4.450 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)cc(Cl)c1[O-] ZINC000546552938 940850821 /nfs/dbraw/zinc/85/08/21/940850821.db2.gz DLCMDZQAHHEFFH-INIZCTEOSA-N -1 1 413.905 4.407 20 0 HIADMM CCOc1cc(C(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)cc(Cl)c1[O-] ZINC000546557046 940852236 /nfs/dbraw/zinc/85/22/36/940852236.db2.gz ZVDMKFJSNFJFOJ-UHFFFAOYSA-N -1 1 415.873 4.145 20 0 HIADMM CCOc1cc(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)cc(Cl)c1[O-] ZINC000546564330 940854355 /nfs/dbraw/zinc/85/43/55/940854355.db2.gz QRZNNXTWGLSXIL-ZFWWWQNUSA-N -1 1 410.695 4.493 20 0 HIADMM CCOc1cc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cc(Cl)c1[O-] ZINC000546565034 940854721 /nfs/dbraw/zinc/85/47/21/940854721.db2.gz MOBZCIUXOXYIGJ-UHFFFAOYSA-N -1 1 414.811 4.473 20 0 HIADMM CCN(C(C)=O)c1nc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cs1 ZINC000546640365 940864175 /nfs/dbraw/zinc/86/41/75/940864175.db2.gz OJNPJSJVAPFCKK-UHFFFAOYSA-N -1 1 400.529 4.279 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C)C(C)(C)C3)cc2)cc1 ZINC000546842527 940892728 /nfs/dbraw/zinc/89/27/28/940892728.db2.gz WTWMNGZHTANOHW-MRXNPFEDSA-N -1 1 416.543 4.004 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1OC(C)C ZINC000546886417 940901754 /nfs/dbraw/zinc/90/17/54/940901754.db2.gz RNUJIVYCGFRGHL-UHFFFAOYSA-N -1 1 405.394 4.182 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCCC3=O)cc2)cc1 ZINC000546886517 940901975 /nfs/dbraw/zinc/90/19/75/940901975.db2.gz XKHNOAZTFYEYHS-MRXNPFEDSA-N -1 1 414.527 4.040 20 0 HIADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000564035178 945359429 /nfs/dbraw/zinc/35/94/29/945359429.db2.gz MZGSETSPOAELHZ-MRXNPFEDSA-N -1 1 420.531 4.277 20 0 HIADMM CC[C@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000546961652 940928907 /nfs/dbraw/zinc/92/89/07/940928907.db2.gz CCTSDONPRVBFQV-OAHLLOKOSA-N -1 1 414.449 4.257 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(Cc3cccc(F)c3)no2)cc1)c1ccccc1 ZINC000546964295 940929554 /nfs/dbraw/zinc/92/95/54/940929554.db2.gz AFERJJMYTYIBRG-UHFFFAOYSA-N -1 1 409.442 4.267 20 0 HIADMM Cc1cc(C)c(Cc2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c(C)c1 ZINC000547024840 940962397 /nfs/dbraw/zinc/96/23/97/940962397.db2.gz HGKNAYOJUHQHLB-UHFFFAOYSA-N -1 1 415.497 4.237 20 0 HIADMM COCCCCc1noc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)n1 ZINC000547100043 940995425 /nfs/dbraw/zinc/99/54/25/940995425.db2.gz IVHLEEWUVHDVDI-UHFFFAOYSA-N -1 1 415.515 4.123 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc(Cl)c1[O-] ZINC000547257555 941045653 /nfs/dbraw/zinc/04/56/53/941045653.db2.gz MIJBYWPMQQTRDN-MRXNPFEDSA-N -1 1 401.850 4.424 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000547261377 941046389 /nfs/dbraw/zinc/04/63/89/941046389.db2.gz SEKDMYRRCWBEGI-INIZCTEOSA-N -1 1 405.853 4.461 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)cc(Cl)c1[O-] ZINC000547268874 941048957 /nfs/dbraw/zinc/04/89/57/941048957.db2.gz WJAPXXQPXLRTMV-LLVKDONJSA-N -1 1 403.891 4.454 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)c3cnccc3C)ccc2C)c1 ZINC000547362998 941058512 /nfs/dbraw/zinc/05/85/12/941058512.db2.gz UGEXBYNLKNSLDV-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM COc1cc(C(=O)[N-]c2nc(C)c(-c3nc4ccccc4n3C(F)F)s2)on1 ZINC000547368170 941058802 /nfs/dbraw/zinc/05/88/02/941058802.db2.gz GSDAREKHTWLYDO-UHFFFAOYSA-N -1 1 405.386 4.112 20 0 HIADMM Cc1ccnc2c1cccc2S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000547631430 941069492 /nfs/dbraw/zinc/06/94/92/941069492.db2.gz BKYDVTYFALACJQ-UHFFFAOYSA-N -1 1 411.266 4.349 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC2(CC2)c2ccccc21 ZINC000547816226 941076787 /nfs/dbraw/zinc/07/67/87/941076787.db2.gz YBTRQGHUXHPMDQ-UHFFFAOYSA-N -1 1 422.481 4.319 20 0 HIADMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547878529 941079429 /nfs/dbraw/zinc/07/94/29/941079429.db2.gz PZAHAYJZFBDHQG-UHFFFAOYSA-N -1 1 411.760 4.305 20 0 HIADMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000547934516 941079802 /nfs/dbraw/zinc/07/98/02/941079802.db2.gz QFNIBWNSKILYSW-UHFFFAOYSA-N -1 1 411.479 4.180 20 0 HIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1Br ZINC000547942314 941079805 /nfs/dbraw/zinc/07/98/05/941079805.db2.gz QXKZYSILVWJVAE-UHFFFAOYSA-N -1 1 423.332 4.096 20 0 HIADMM CCCC(C)(C)N(Cc1cccs1)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000549021789 941144467 /nfs/dbraw/zinc/14/44/67/941144467.db2.gz KHYOWEXWKYTDGY-UHFFFAOYSA-N -1 1 400.548 4.263 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(C)C)no3)cc2)c1 ZINC000549549858 941199051 /nfs/dbraw/zinc/19/90/51/941199051.db2.gz DNTBIXAWYUWPAD-UHFFFAOYSA-N -1 1 413.499 4.177 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)c1 ZINC000549686252 941204513 /nfs/dbraw/zinc/20/45/13/941204513.db2.gz DVWZAPLOPWVWFX-HXUWFJFHSA-N -1 1 404.470 4.034 20 0 HIADMM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c2ccccc21 ZINC000549817470 941208429 /nfs/dbraw/zinc/20/84/29/941208429.db2.gz FALURWHPAXTPGO-HNNXBMFYSA-N -1 1 410.470 4.390 20 0 HIADMM O=C(Nc1nc(-c2ccccc2)co1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000550219682 941300480 /nfs/dbraw/zinc/30/04/80/941300480.db2.gz YJXYFZJTQQCBHZ-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(F)cc1C ZINC000551017528 941395687 /nfs/dbraw/zinc/39/56/87/941395687.db2.gz UCZSTPWZVOKCNU-UHFFFAOYSA-N -1 1 421.368 4.010 20 0 HIADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000551469811 941486210 /nfs/dbraw/zinc/48/62/10/941486210.db2.gz HNHRTODEIRJCLC-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM COC(=O)c1ccc(CCC(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000552022216 941569703 /nfs/dbraw/zinc/56/97/03/941569703.db2.gz JRCMEDQFCQELTD-UHFFFAOYSA-N -1 1 412.667 4.166 20 0 HIADMM Cc1ccc(CN(Cc2ccco2)C(=O)c2cncc([O-])c2)c(Br)c1 ZINC000552253259 941614693 /nfs/dbraw/zinc/61/46/93/941614693.db2.gz VNQHRNGYXINMFA-UHFFFAOYSA-N -1 1 401.260 4.294 20 0 HIADMM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000552700108 941740231 /nfs/dbraw/zinc/74/02/31/941740231.db2.gz PNTHJUGJADNVGV-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(-c2ncco2)c1C ZINC000552708370 941742411 /nfs/dbraw/zinc/74/24/11/941742411.db2.gz FKLPDFYDOCLRHL-UHFFFAOYSA-N -1 1 415.453 4.087 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000553174979 941844767 /nfs/dbraw/zinc/84/47/67/941844767.db2.gz NWAVFLSRHLOTSQ-KKSFZXQISA-N -1 1 402.498 4.095 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000553225487 941852789 /nfs/dbraw/zinc/85/27/89/941852789.db2.gz VLOFQRAQLCSGIA-HXUWFJFHSA-N -1 1 424.932 4.305 20 0 HIADMM COc1ccccc1O[C@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000553232935 941853746 /nfs/dbraw/zinc/85/37/46/941853746.db2.gz JDCPAPJEKZBWEU-HNNXBMFYSA-N -1 1 412.873 4.286 20 0 HIADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1ccc(Cl)cc1Cl ZINC000553523812 941902626 /nfs/dbraw/zinc/90/26/26/941902626.db2.gz MFKQUYVIGGEVMK-CQSZACIVSA-N -1 1 424.252 4.124 20 0 HIADMM CCc1ccc([C@@H]2CCN(C(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)cc1 ZINC000554410373 942131611 /nfs/dbraw/zinc/13/16/11/942131611.db2.gz UNLHNPZFYHIUON-OAQYLSRUSA-N -1 1 416.525 4.064 20 0 HIADMM C[C@@H]1CCc2c(sc3nc(CSc4nc(C(F)F)cc(=O)[n-]4)nc(N)c32)C1 ZINC000554942120 942327138 /nfs/dbraw/zinc/32/71/38/942327138.db2.gz BEJAZNKSODPXQU-SSDOTTSWSA-N -1 1 409.487 4.124 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000555287599 942463249 /nfs/dbraw/zinc/46/32/49/942463249.db2.gz PSAOBHOVRBODRQ-GOSISDBHSA-N -1 1 403.265 4.461 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(C)C)no3)cc2)cc1Cl ZINC000555426811 942527380 /nfs/dbraw/zinc/52/73/80/942527380.db2.gz AMTJDAXPXPWFSW-UHFFFAOYSA-N -1 1 421.906 4.247 20 0 HIADMM O=C(Nc1nc(-c2ccccc2)co1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000555589848 942658734 /nfs/dbraw/zinc/65/87/34/942658734.db2.gz HRVUKSBWLFWWBL-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000556176761 942814658 /nfs/dbraw/zinc/81/46/58/942814658.db2.gz GJCUDDGNMZLRTH-JOCHJYFZSA-N -1 1 412.747 4.326 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)NCc3cccs3)ccc2C)c1 ZINC000557319022 943071225 /nfs/dbraw/zinc/07/12/25/943071225.db2.gz QYQJRXROTZLKKI-UHFFFAOYSA-N -1 1 415.540 4.487 20 0 HIADMM CCc1cc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)ccc1O ZINC000557524514 943190049 /nfs/dbraw/zinc/19/00/49/943190049.db2.gz JGKWCDAXRPMAOZ-UHFFFAOYSA-N -1 1 410.495 4.316 20 0 HIADMM Cc1cc(NC(=O)[C@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)ccc1Br ZINC000558457325 943564986 /nfs/dbraw/zinc/56/49/86/943564986.db2.gz KABIJQYYHDMATL-QMMMGPOBSA-N -1 1 418.263 4.310 20 0 HIADMM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1ccc(I)c([O-])c1 ZINC000558578944 943607628 /nfs/dbraw/zinc/60/76/28/943607628.db2.gz LKQLHWQIKXYVGW-SNVBAGLBSA-N -1 1 419.671 4.129 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(F)(F)[C@H](C)C3)cc2)c1 ZINC000558584132 943609319 /nfs/dbraw/zinc/60/93/19/943609319.db2.gz WFCJAJGJQYXVBO-MRXNPFEDSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)cn2n1 ZINC000558600202 943614130 /nfs/dbraw/zinc/61/41/30/943614130.db2.gz ZLHJUIGIZUEPQO-UHFFFAOYSA-N -1 1 414.874 4.284 20 0 HIADMM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c(OC)c1OC ZINC000559981367 944109050 /nfs/dbraw/zinc/10/90/50/944109050.db2.gz LIVRCAOLQFKXAK-HNNXBMFYSA-N -1 1 413.392 4.037 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc2c(c1)CN(CC(F)F)C2 ZINC000562237082 945036665 /nfs/dbraw/zinc/03/66/65/945036665.db2.gz RXEWPTXVOVPZJB-UHFFFAOYSA-N -1 1 420.403 4.395 20 0 HIADMM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1ccc(OCC(F)F)cc1 ZINC000564128507 945392571 /nfs/dbraw/zinc/39/25/71/945392571.db2.gz IGWYSKXNUBITEK-UHFFFAOYSA-N -1 1 410.364 4.106 20 0 HIADMM C[C@H](c1cccc(Cl)c1)S(=O)(=O)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000565284620 945803922 /nfs/dbraw/zinc/80/39/22/945803922.db2.gz GUJKLONVZIEZLP-LLVKDONJSA-N -1 1 412.298 4.225 20 0 HIADMM C[C@H](c1cccc(Cl)c1)S(=O)(=O)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000565284620 945803927 /nfs/dbraw/zinc/80/39/27/945803927.db2.gz GUJKLONVZIEZLP-LLVKDONJSA-N -1 1 412.298 4.225 20 0 HIADMM O=C(Nc1nnn[n-]1)c1c2c(nc3ccccc31)C(=Cc1ccc(Cl)cc1)CC2 ZINC000565447773 945831875 /nfs/dbraw/zinc/83/18/75/945831875.db2.gz PNZDEDUJIHUEBV-ACCUITESSA-N -1 1 402.845 4.140 20 0 HIADMM O=C(Nc1nn[n-]n1)c1c2c(nc3ccccc31)C(=Cc1ccc(Cl)cc1)CC2 ZINC000565447773 945831876 /nfs/dbraw/zinc/83/18/76/945831876.db2.gz PNZDEDUJIHUEBV-ACCUITESSA-N -1 1 402.845 4.140 20 0 HIADMM Cc1ncsc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000565865205 945898895 /nfs/dbraw/zinc/89/88/95/945898895.db2.gz JFRVWOJFZUMUIG-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CC(=O)N(C4CCCCC4)C3)n2)cc(Cl)c1[O-] ZINC000566953205 946189087 /nfs/dbraw/zinc/18/90/87/946189087.db2.gz DREWAVUKHLVJNO-CYBMUJFWSA-N -1 1 405.882 4.143 20 0 HIADMM CCC(CC)(OC)c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000567479559 946345039 /nfs/dbraw/zinc/34/50/39/946345039.db2.gz BBJXJZBWZHZPAQ-UHFFFAOYSA-N -1 1 401.488 4.199 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)c(=O)[n-]1 ZINC000568280388 946488314 /nfs/dbraw/zinc/48/83/14/946488314.db2.gz ZPJJIBHISOUYOS-UHFFFAOYSA-N -1 1 423.941 4.376 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1NC(=O)C1CCCCC1 ZINC000568496774 946575401 /nfs/dbraw/zinc/57/54/01/946575401.db2.gz YOGIYHQWJPQLLA-UHFFFAOYSA-N -1 1 420.506 4.462 20 0 HIADMM CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000568675110 946647817 /nfs/dbraw/zinc/64/78/17/946647817.db2.gz RBCRCZZFYCMBBE-DNVCBOLYSA-N -1 1 419.522 4.099 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)c1 ZINC000568688308 946656728 /nfs/dbraw/zinc/65/67/28/946656728.db2.gz ZDFBDKXRMJFXRL-UHFFFAOYSA-N -1 1 418.559 4.203 20 0 HIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1 ZINC000569146516 946822656 /nfs/dbraw/zinc/82/26/56/946822656.db2.gz PFDVUISTIGARLR-UHFFFAOYSA-N -1 1 414.483 4.324 20 0 HIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000569424305 946874548 /nfs/dbraw/zinc/87/45/48/946874548.db2.gz YWLVWDHKDYTGQO-UHFFFAOYSA-N -1 1 409.515 4.425 20 0 HIADMM Cc1cccc(C2(c3noc(CCc4c(C)nc(-c5cccnc5)[n-]c4=O)n3)CC2)c1 ZINC000569511483 946883255 /nfs/dbraw/zinc/88/32/55/946883255.db2.gz KKHVNMVBZUTQPQ-UHFFFAOYSA-N -1 1 413.481 4.109 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)c(C)c1 ZINC000570110528 947095693 /nfs/dbraw/zinc/09/56/93/947095693.db2.gz ADCQBBYDWPZREA-UHFFFAOYSA-N -1 1 401.513 4.054 20 0 HIADMM C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000570243024 947163033 /nfs/dbraw/zinc/16/30/33/947163033.db2.gz MOKVVHOJEKWWMP-SNVBAGLBSA-N -1 1 415.368 4.044 20 0 HIADMM C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000570243024 947163040 /nfs/dbraw/zinc/16/30/40/947163040.db2.gz MOKVVHOJEKWWMP-SNVBAGLBSA-N -1 1 415.368 4.044 20 0 HIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000571127282 947521840 /nfs/dbraw/zinc/52/18/40/947521840.db2.gz WXNATQGSHRUSHT-CYBMUJFWSA-N -1 1 411.246 4.150 20 0 HIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000571127286 947522028 /nfs/dbraw/zinc/52/20/28/947522028.db2.gz WXNATQGSHRUSHT-ZDUSSCGKSA-N -1 1 411.246 4.150 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000571338241 947603167 /nfs/dbraw/zinc/60/31/67/947603167.db2.gz BEYJLKYXXJDQNM-UHFFFAOYSA-N -1 1 414.449 4.297 20 0 HIADMM COc1ccc2cc(-c3nc(-c4cc(Br)c([O-])c(OC)c4)no3)[nH]c2c1 ZINC000572944438 948046666 /nfs/dbraw/zinc/04/66/66/948046666.db2.gz JTLCOGQVVVPRPO-UHFFFAOYSA-N -1 1 416.231 4.370 20 0 HIADMM COc1cc(NC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000573907904 948325367 /nfs/dbraw/zinc/32/53/67/948325367.db2.gz AXLRHXZQBUSALH-BEFAXECRSA-N -1 1 417.531 4.072 20 0 HIADMM CCOc1cc(-c2noc(CCCn3c(=O)oc4ccccc43)n2)cc(Cl)c1[O-] ZINC000574390723 948432604 /nfs/dbraw/zinc/43/26/04/948432604.db2.gz LPKUTIANPPUBGW-UHFFFAOYSA-N -1 1 415.833 4.035 20 0 HIADMM O=C(NCC1(c2ccc(Br)s2)CCC1)c1c[nH]c2ccccc2c1=O ZINC000574541486 948466662 /nfs/dbraw/zinc/46/66/62/948466662.db2.gz WNKUUHYRUFGNDZ-UHFFFAOYSA-N -1 1 417.328 4.204 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000575352926 948652047 /nfs/dbraw/zinc/65/20/47/948652047.db2.gz BNESBDOSSRCZPL-GOSISDBHSA-N -1 1 403.265 4.461 20 0 HIADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccccc2N[C@@H](C)c2ccccc2)cc1 ZINC000575825201 948726850 /nfs/dbraw/zinc/72/68/50/948726850.db2.gz QPKKQIJVTCKEJK-KRWDZBQOSA-N -1 1 424.522 4.376 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)c1 ZINC000436026817 861320082 /nfs/dbraw/zinc/32/00/82/861320082.db2.gz PJXPZLRNBKVCQW-UHFFFAOYSA-N -1 1 421.320 4.035 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c1 ZINC000436029650 861321943 /nfs/dbraw/zinc/32/19/43/861321943.db2.gz YKSXCDGUFNOICE-UHFFFAOYSA-N -1 1 411.321 4.215 20 0 HIADMM C[C@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000436201811 861502909 /nfs/dbraw/zinc/50/29/09/861502909.db2.gz JCHUPOPMTNLENC-LBPRGKRZSA-N -1 1 413.326 4.419 20 0 HIADMM C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000436204771 861505516 /nfs/dbraw/zinc/50/55/16/861505516.db2.gz RZTIXUWXIWJGIA-CYBMUJFWSA-N -1 1 412.433 4.131 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)o1 ZINC000006919669 845225469 /nfs/dbraw/zinc/22/54/69/845225469.db2.gz RPPCXWXHTSOORN-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1F ZINC000006920339 845225667 /nfs/dbraw/zinc/22/56/67/845225667.db2.gz ACKQOGIPIIMXCR-MRXNPFEDSA-N -1 1 412.486 4.426 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000007054657 845242467 /nfs/dbraw/zinc/24/24/67/845242467.db2.gz DYPRKGCRIHKPML-UHFFFAOYSA-N -1 1 407.797 4.321 20 0 HIADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000436245659 861554269 /nfs/dbraw/zinc/55/42/69/861554269.db2.gz NJHHXZUBBBPZLZ-GFCCVEGCSA-N -1 1 404.561 4.363 20 0 HIADMM CCc1cc2c(COC(=O)CCC(=O)c3ccc(Cl)cc3)cc(=O)oc2cc1[O-] ZINC000007482939 845342384 /nfs/dbraw/zinc/34/23/84/845342384.db2.gz JQMPZKJWCKUGJC-UHFFFAOYSA-N -1 1 414.841 4.421 20 0 HIADMM CCn1c(=O)c2c(nc1SCC(=O)c1ccc([O-])cc1)sc1c2CCCC1 ZINC000007629187 845377571 /nfs/dbraw/zinc/37/75/71/845377571.db2.gz RHCRZBKFHKFMFB-UHFFFAOYSA-N -1 1 400.525 4.037 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCc1ccc(F)cc1 ZINC000007921215 845447219 /nfs/dbraw/zinc/44/72/19/845447219.db2.gz LZSINPMRUTXBLJ-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1c2ccc3ccccc3c2oc1C(=O)[N-]NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000007964798 845454497 /nfs/dbraw/zinc/45/44/97/845454497.db2.gz JVYTYGYCEZCMBM-CQSZACIVSA-N -1 1 406.413 4.262 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1 ZINC000008033593 845466100 /nfs/dbraw/zinc/46/61/00/845466100.db2.gz XSMSLELNRUIKDA-IIBYNOLFSA-N -1 1 416.543 4.195 20 0 HIADMM O=C(NOCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000008096645 845475078 /nfs/dbraw/zinc/47/50/78/845475078.db2.gz OEJJNHQTKBQZHI-UHFFFAOYSA-N -1 1 416.886 4.002 20 0 HIADMM CCCCn1c(=O)c2ccccc2nc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000008195008 845489258 /nfs/dbraw/zinc/48/92/58/845489258.db2.gz HECRWQGFTQRNMB-UHFFFAOYSA-N -1 1 408.479 4.301 20 0 HIADMM CCCn1c2ccccc2nc1SCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000009249286 845566120 /nfs/dbraw/zinc/56/61/20/845566120.db2.gz FNQRHTLHGJVXDR-UHFFFAOYSA-N -1 1 424.478 4.094 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCOCc2ccccc2)cc1 ZINC000010103382 845619693 /nfs/dbraw/zinc/61/96/93/845619693.db2.gz UJNCWGCDOMQXMU-UHFFFAOYSA-N -1 1 410.543 4.029 20 0 HIADMM COc1cccc(Nc2nnc(SCc3cc(=O)oc4cc([O-])ccc34)s2)c1 ZINC000010267488 845639975 /nfs/dbraw/zinc/63/99/75/845639975.db2.gz ULEDAUMZELRCIG-UHFFFAOYSA-N -1 1 413.480 4.395 20 0 HIADMM O=C(Nc1ccc2c(c1)CCC2)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000012211422 845859642 /nfs/dbraw/zinc/85/96/42/845859642.db2.gz YIHKJXLOCFSVLO-UHFFFAOYSA-N -1 1 410.470 4.368 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCCCCOc2ccc(F)cc2)c1 ZINC000012392896 845869009 /nfs/dbraw/zinc/86/90/09/845869009.db2.gz TYBNVGBNTNSUPZ-UHFFFAOYSA-N -1 1 414.506 4.031 20 0 HIADMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000012650037 845882482 /nfs/dbraw/zinc/88/24/82/845882482.db2.gz MOBLTVJYOKKQMS-UHFFFAOYSA-N -1 1 415.327 4.074 20 0 HIADMM CCn1c2ccccc2c2cc(NC(=O)CCc3c(C)nc(SC)[n-]c3=O)ccc21 ZINC000012831674 845893420 /nfs/dbraw/zinc/89/34/20/845893420.db2.gz PWEFVODAGUHSOP-UHFFFAOYSA-N -1 1 420.538 4.499 20 0 HIADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl ZINC000013341144 845913984 /nfs/dbraw/zinc/91/39/84/845913984.db2.gz NAPCVQZUXXMPIB-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 ZINC000015349572 846037999 /nfs/dbraw/zinc/03/79/99/846037999.db2.gz WHGQMEUDAZSGGA-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccc1 ZINC000015349311 846038176 /nfs/dbraw/zinc/03/81/76/846038176.db2.gz RIVQTIPOVPOAGY-UHFFFAOYSA-N -1 1 400.887 4.417 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cccs3)c2)cc1F ZINC000015385094 846043079 /nfs/dbraw/zinc/04/30/79/846043079.db2.gz MDJBXVOOICNVQH-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000015389667 846043242 /nfs/dbraw/zinc/04/32/42/846043242.db2.gz MPEJUOKYGQAXMF-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)CC[C@H]3C)c2)cc1F ZINC000436331215 861637806 /nfs/dbraw/zinc/63/78/06/861637806.db2.gz GJAWMSDKWXWOSQ-GDBMZVCRSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)CC[C@H]3C)c2)cc1F ZINC000436331217 861638021 /nfs/dbraw/zinc/63/80/21/861638021.db2.gz GJAWMSDKWXWOSQ-GOEBONIOSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccnc1Cl ZINC000015744130 846089090 /nfs/dbraw/zinc/08/90/90/846089090.db2.gz SSBCAYODENNLIO-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)C1CCCC1 ZINC000015891940 846101827 /nfs/dbraw/zinc/10/18/27/846101827.db2.gz WKZYHJVOSXFINU-UHFFFAOYSA-N -1 1 423.332 4.379 20 0 HIADMM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]NC(=S)Nc3cccc(C)c3)cc12 ZINC000015887838 846102110 /nfs/dbraw/zinc/10/21/10/846102110.db2.gz ZARODZFDSWRUOG-UHFFFAOYSA-N -1 1 421.551 4.335 20 0 HIADMM CCc1ccc(C(=O)N[N-]C(=O)c2oc3ccc(Br)cc3c2C)cc1 ZINC000016055709 846117306 /nfs/dbraw/zinc/11/73/06/846117306.db2.gz YGVVQYUZOVQZHZ-UHFFFAOYSA-N -1 1 401.260 4.141 20 0 HIADMM Cc1c2ccccc2oc1C(=O)[N-]NC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C ZINC000016063515 846119179 /nfs/dbraw/zinc/11/91/79/846119179.db2.gz VDVKULGKYFQYIH-AWEZNQCLSA-N -1 1 400.862 4.240 20 0 HIADMM O=C(Nc1cc(F)cc(F)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000016305187 846150825 /nfs/dbraw/zinc/15/08/25/846150825.db2.gz PLASDIFNFBJTOI-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM O=C(NC1CCCCC1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000016493594 846178769 /nfs/dbraw/zinc/17/87/69/846178769.db2.gz YGUPINROOMJLTF-UHFFFAOYSA-N -1 1 410.898 4.342 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(N(C)C)cc3)c2)cc1 ZINC000016597388 846188141 /nfs/dbraw/zinc/18/81/41/846188141.db2.gz KCZRVXIKRSLSQW-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000016640696 846193222 /nfs/dbraw/zinc/19/32/22/846193222.db2.gz ZAUALTVEXLQLNS-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)CC[C@H]3C)cc2)cc1 ZINC000436341911 861653739 /nfs/dbraw/zinc/65/37/39/861653739.db2.gz HJXPIBJLNHQPQU-DLBZAZTESA-N -1 1 416.543 4.147 20 0 HIADMM C[C@@H](CCc1ccccc1)NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000017156411 846233866 /nfs/dbraw/zinc/23/38/66/846233866.db2.gz FWZDYILOJQFYKM-AWEZNQCLSA-N -1 1 400.935 4.399 20 0 HIADMM C[C@H](CCc1ccccc1)NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000017156416 846234014 /nfs/dbraw/zinc/23/40/14/846234014.db2.gz FWZDYILOJQFYKM-CQSZACIVSA-N -1 1 400.935 4.399 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1 ZINC000017167460 846234908 /nfs/dbraw/zinc/23/49/08/846234908.db2.gz QYVKCNHZZDNYNX-IAGOWNOFSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3)cc2)c1 ZINC000017334739 846246884 /nfs/dbraw/zinc/24/68/84/846246884.db2.gz VUZNALKYZAEZMY-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 ZINC000017323738 846247177 /nfs/dbraw/zinc/24/71/77/846247177.db2.gz XXNPWJVCEYAIOV-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM CCCCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000017441914 846252504 /nfs/dbraw/zinc/25/25/04/846252504.db2.gz CUJZWSRMGWQRGX-UHFFFAOYSA-N -1 1 418.559 4.041 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)c(O)c1 ZINC000017410328 846253045 /nfs/dbraw/zinc/25/30/45/846253045.db2.gz UFPAQUZFCCPLPF-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000017442195 846253729 /nfs/dbraw/zinc/25/37/29/846253729.db2.gz RLPNFBRTTOVKFT-LUQKVYGDSA-N -1 1 400.544 4.350 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3cccs3)cc2)c1 ZINC000017909920 846275987 /nfs/dbraw/zinc/27/59/87/846275987.db2.gz XMNCLLOAFRQKMZ-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000018203904 846308721 /nfs/dbraw/zinc/30/87/21/846308721.db2.gz DEOGCUVAOBNNAE-CYBMUJFWSA-N -1 1 408.483 4.240 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCCSc1ccc(Cl)cc1 ZINC000018205760 846310009 /nfs/dbraw/zinc/31/00/09/846310009.db2.gz RNWJPIGSSOXZRA-UHFFFAOYSA-N -1 1 410.977 4.231 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3C)cc2)cc1 ZINC000018833920 846343805 /nfs/dbraw/zinc/34/38/05/846343805.db2.gz NLRUASPSKWXYPL-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c1 ZINC000020816041 846390187 /nfs/dbraw/zinc/39/01/87/846390187.db2.gz VMQXZEBPKINGFK-IRXDYDNUSA-N -1 1 400.544 4.222 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1 ZINC000021864054 846504560 /nfs/dbraw/zinc/50/45/60/846504560.db2.gz DUXUMNSGZSEMEI-HNNXBMFYSA-N -1 1 424.309 4.441 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2)ccc1F ZINC000021895799 846507737 /nfs/dbraw/zinc/50/77/37/846507737.db2.gz REYXAJKZJOQTHR-GASCZTMLSA-N -1 1 404.507 4.053 20 0 HIADMM CCN(Cc1cccc(F)c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021931141 846512823 /nfs/dbraw/zinc/51/28/23/846512823.db2.gz UJMKUOXKEVEEFJ-UHFFFAOYSA-N -1 1 412.486 4.289 20 0 HIADMM COc1ccccc1CCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000022056806 846525317 /nfs/dbraw/zinc/52/53/17/846525317.db2.gz ZTCMFWOHKDUDIL-UHFFFAOYSA-N -1 1 420.490 4.336 20 0 HIADMM Cc1ccc(C)c(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000022404729 846566107 /nfs/dbraw/zinc/56/61/07/846566107.db2.gz OLSLXSVRWRVSKZ-UHFFFAOYSA-N -1 1 412.486 4.425 20 0 HIADMM O=C(COC(=O)c1ccccc1SCc1cccs1)[N-]C(=O)c1ccccc1 ZINC000022534874 846583406 /nfs/dbraw/zinc/58/34/06/846583406.db2.gz YAAXDMAGMDGGAK-UHFFFAOYSA-N -1 1 411.504 4.154 20 0 HIADMM CCCCc1nnc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)s1 ZINC000022742578 846613816 /nfs/dbraw/zinc/61/38/16/846613816.db2.gz OXHAMDBPOISQKL-UHFFFAOYSA-N -1 1 402.549 4.139 20 0 HIADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Cl ZINC000022987985 846645308 /nfs/dbraw/zinc/64/53/08/846645308.db2.gz PJOSLCYCROEDFB-UHFFFAOYSA-N -1 1 418.696 4.080 20 0 HIADMM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000023079932 846657505 /nfs/dbraw/zinc/65/75/05/846657505.db2.gz OBRNNYXVXOCBOJ-UHFFFAOYSA-N -1 1 419.437 4.059 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C#N)c2)cc1Cl ZINC000023416183 846698666 /nfs/dbraw/zinc/69/86/66/846698666.db2.gz YNQAZSQQYWKNPM-LLVKDONJSA-N -1 1 413.282 4.172 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)O[C@@H](C)C#N)c1 ZINC000023417085 846698821 /nfs/dbraw/zinc/69/88/21/846698821.db2.gz BBKBVYZXPWEMDT-HNNXBMFYSA-N -1 1 400.500 4.162 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(C)cc2)cc1 ZINC000023602431 846725957 /nfs/dbraw/zinc/72/59/57/846725957.db2.gz BAJJLSMKHITLTH-UHFFFAOYSA-N -1 1 410.543 4.364 20 0 HIADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000436371927 861711835 /nfs/dbraw/zinc/71/18/35/861711835.db2.gz ULBHXMQMEOGHER-KGLIPLIRSA-N -1 1 408.470 4.026 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1OCCC ZINC000023717461 846743776 /nfs/dbraw/zinc/74/37/76/846743776.db2.gz ACNZFDZIRPAFGK-UHFFFAOYSA-N -1 1 421.515 4.226 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(-n3ccnc3)cc2)c1 ZINC000023889958 846756794 /nfs/dbraw/zinc/75/67/94/846756794.db2.gz PPRFOWOPUYQFJU-UHFFFAOYSA-N -1 1 404.499 4.131 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000024232238 846804953 /nfs/dbraw/zinc/80/49/53/846804953.db2.gz BSSNBVRQKLXAOL-KBAYOESNSA-N -1 1 414.575 4.481 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)c(C)c1 ZINC000024345934 846815708 /nfs/dbraw/zinc/81/57/08/846815708.db2.gz XRITXHNFWBQMJN-UHFFFAOYSA-N -1 1 410.543 4.398 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000024576179 846840257 /nfs/dbraw/zinc/84/02/57/846840257.db2.gz FACDLGVZYLVWRP-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCc2nc3ccccc3s2)c1 ZINC000024588728 846842612 /nfs/dbraw/zinc/84/26/12/846842612.db2.gz UYUSVHLWYJVXOM-UHFFFAOYSA-N -1 1 409.540 4.232 20 0 HIADMM COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000025201896 846940262 /nfs/dbraw/zinc/94/02/62/846940262.db2.gz BIZICIZVORKMHU-UHFFFAOYSA-N -1 1 410.901 4.165 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccc(Cl)s3)cc2)cc1 ZINC000025523660 846992006 /nfs/dbraw/zinc/99/20/06/846992006.db2.gz HEEMABQZRVNGLI-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM O=C(NCC1CCC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000026147885 847096459 /nfs/dbraw/zinc/09/64/59/847096459.db2.gz MXLIARBFENRKGM-UHFFFAOYSA-N -1 1 412.433 4.036 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC3CC3)cc2)c(C)c1C ZINC000026205550 847101366 /nfs/dbraw/zinc/10/13/66/847101366.db2.gz PLFFQHXJICRMIE-UHFFFAOYSA-N -1 1 400.544 4.169 20 0 HIADMM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000026881755 847214546 /nfs/dbraw/zinc/21/45/46/847214546.db2.gz BHUPVHPXUJPKFU-MRVPVSSYSA-N -1 1 413.120 4.258 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](CC)C3)cc2)cc1 ZINC000027155311 847256942 /nfs/dbraw/zinc/25/69/42/847256942.db2.gz QHTSROQAXGEYBW-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000027155273 847257477 /nfs/dbraw/zinc/25/74/77/847257477.db2.gz DLOWTSQTLLPBQA-CQSZACIVSA-N -1 1 408.470 4.028 20 0 HIADMM CC[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000027338776 847285094 /nfs/dbraw/zinc/28/50/94/847285094.db2.gz XHZJQCIRWAWGMP-GFCCVEGCSA-N -1 1 415.342 4.251 20 0 HIADMM O=C(Nc1ccccc1N1CCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000028008214 847374828 /nfs/dbraw/zinc/37/48/28/847374828.db2.gz MNOZZAJGPNQHDW-UHFFFAOYSA-N -1 1 421.522 4.340 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(Br)c1 ZINC000028195723 847394701 /nfs/dbraw/zinc/39/47/01/847394701.db2.gz NLNNJDKDOBDCJL-UHFFFAOYSA-N -1 1 405.111 4.321 20 0 HIADMM CC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000028270777 847400776 /nfs/dbraw/zinc/40/07/76/847400776.db2.gz XGMZSAHIZOTDAU-LBPRGKRZSA-N -1 1 400.422 4.491 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000028490071 847425845 /nfs/dbraw/zinc/42/58/45/847425845.db2.gz SBLWWIKOPAFCQH-NSHDSACASA-N -1 1 401.315 4.323 20 0 HIADMM CCCCCc1nnc([N-]C(=O)c2occc2CS(=O)(=O)c2ccccc2)s1 ZINC000028695292 847448822 /nfs/dbraw/zinc/44/88/22/847448822.db2.gz PYRKRUYRBVBRQD-UHFFFAOYSA-N -1 1 419.528 4.090 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccc(F)cc3)ccc2C)c1 ZINC000028700932 847451342 /nfs/dbraw/zinc/45/13/42/847451342.db2.gz ADKRODPCIHJFLA-UHFFFAOYSA-N -1 1 412.486 4.425 20 0 HIADMM Cc1ccc2nc(-c3ccc(NC(=O)Cc4sc(N(C)C)nc4[O-])cc3)sc2c1 ZINC000028757291 847457032 /nfs/dbraw/zinc/45/70/32/847457032.db2.gz TXGPTALKYZLLJU-KRWDZBQOSA-N -1 1 424.551 4.160 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCCc2ccccc2)cc1 ZINC000028832907 847466382 /nfs/dbraw/zinc/46/63/82/847466382.db2.gz XJONNCBATPTRFQ-UHFFFAOYSA-N -1 1 410.543 4.145 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1Cl ZINC000028833041 847466388 /nfs/dbraw/zinc/46/63/88/847466388.db2.gz FSEWPYMRZIYIOS-AWEZNQCLSA-N -1 1 415.902 4.027 20 0 HIADMM CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1 ZINC000028837122 847467412 /nfs/dbraw/zinc/46/74/12/847467412.db2.gz FQZBLOKJQNQYCV-OAQYLSRUSA-N -1 1 409.511 4.154 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000028976693 847487071 /nfs/dbraw/zinc/48/70/71/847487071.db2.gz FZKKKEHDIKODGA-HZPDHXFCSA-N -1 1 400.544 4.222 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000029241404 847529505 /nfs/dbraw/zinc/52/95/05/847529505.db2.gz OMMGMGPIHSTQKC-UHFFFAOYSA-N -1 1 422.539 4.463 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1Br ZINC000029433214 847563906 /nfs/dbraw/zinc/56/39/06/847563906.db2.gz MFBPOALKXWERCQ-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CCCCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000029431739 847564009 /nfs/dbraw/zinc/56/40/09/847564009.db2.gz AYGSZCDLEOANDH-AWEZNQCLSA-N -1 1 410.486 4.464 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1ccccc1 ZINC000029697231 847602035 /nfs/dbraw/zinc/60/20/35/847602035.db2.gz VWOBQKOEAHOBQK-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])s1 ZINC000029697161 847602522 /nfs/dbraw/zinc/60/25/22/847602522.db2.gz JZPRBJSXXNVPNG-UHFFFAOYSA-N -1 1 422.915 4.469 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)s1 ZINC000029871960 847638686 /nfs/dbraw/zinc/63/86/86/847638686.db2.gz AUCXMUUPJSKHQB-UHFFFAOYSA-N -1 1 424.498 4.120 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCC[C@H](C)C3)c2)c1 ZINC000029997858 847667253 /nfs/dbraw/zinc/66/72/53/847667253.db2.gz RWDYRHHAJBJFSZ-FXAWDEMLSA-N -1 1 400.544 4.447 20 0 HIADMM CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000030012882 847670092 /nfs/dbraw/zinc/67/00/92/847670092.db2.gz CALNACLKWWSKIO-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCC[C@@H](C)C3)c2)cc1 ZINC000030016625 847671479 /nfs/dbraw/zinc/67/14/79/847671479.db2.gz BQPDABMPMOLJDZ-AEFFLSMTSA-N -1 1 416.543 4.195 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCC[C@@H](C)C3)c2)cc1 ZINC000030016624 847671855 /nfs/dbraw/zinc/67/18/55/847671855.db2.gz BQPDABMPMOLJDZ-SJLPKXTDSA-N -1 1 416.543 4.195 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000030113546 847678657 /nfs/dbraw/zinc/67/86/57/847678657.db2.gz UHBILQCHIGZSOS-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@@H]3C)ccc2C)cc1 ZINC000030266669 847693836 /nfs/dbraw/zinc/69/38/36/847693836.db2.gz QZWPXGLTIIKAMO-SFHVURJKSA-N -1 1 423.538 4.123 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c2)cc1 ZINC000030424462 847713738 /nfs/dbraw/zinc/71/37/38/847713738.db2.gz UDOPDCCFIJISPS-INIZCTEOSA-N -1 1 418.559 4.393 20 0 HIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)cc1 ZINC000030531353 847729924 /nfs/dbraw/zinc/72/99/24/847729924.db2.gz CABDQUIHHGKZBD-UHFFFAOYSA-N -1 1 400.544 4.198 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000030537406 847731514 /nfs/dbraw/zinc/73/15/14/847731514.db2.gz BJDJITQMXGRGPS-UHFFFAOYSA-N -1 1 423.542 4.245 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000436499116 861825466 /nfs/dbraw/zinc/82/54/66/861825466.db2.gz QEXPBPUBSBDMLF-LLVKDONJSA-N -1 1 419.250 4.455 20 0 HIADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000436498209 861825911 /nfs/dbraw/zinc/82/59/11/861825911.db2.gz VMCWEAJIZPQCTJ-CQSZACIVSA-N -1 1 404.894 4.324 20 0 HIADMM COc1ccc(CN(CC2CC2)C(=O)c2cc(Cl)c([O-])c(OC)c2)c(OC)c1 ZINC000436518371 861831912 /nfs/dbraw/zinc/83/19/12/861831912.db2.gz QURLOWSELZAJJV-UHFFFAOYSA-N -1 1 405.878 4.124 20 0 HIADMM CCOc1cc(-c2noc(-c3nc4cccnc4s3)n2)cc(Br)c1[O-] ZINC000436518427 861832101 /nfs/dbraw/zinc/83/21/01/861832101.db2.gz XRWHZKVFIROWQI-UHFFFAOYSA-N -1 1 419.260 4.275 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCCC[C@H]2C(F)F)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436520549 861832835 /nfs/dbraw/zinc/83/28/35/861832835.db2.gz WEFMVHJDMPNVDC-INIZCTEOSA-N -1 1 410.367 4.183 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000031265781 847854152 /nfs/dbraw/zinc/85/41/52/847854152.db2.gz FSJDNHWJKDTLAO-LJQANCHMSA-N -1 1 424.526 4.113 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc2)cc1 ZINC000031407146 847877458 /nfs/dbraw/zinc/87/74/58/847877458.db2.gz NTFVKBZXFMQDJB-MRXNPFEDSA-N -1 1 416.543 4.197 20 0 HIADMM CSCC[C@H](C)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436535392 861840039 /nfs/dbraw/zinc/84/00/39/861840039.db2.gz KGCWRAQVTOGOGP-LBPRGKRZSA-N -1 1 408.470 4.136 20 0 HIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc2cc(Br)ccc2[nH]1 ZINC000031456137 847889366 /nfs/dbraw/zinc/88/93/66/847889366.db2.gz JMESVAOXNNUPDU-UHFFFAOYSA-N -1 1 414.211 4.099 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC000031564423 847908392 /nfs/dbraw/zinc/90/83/92/847908392.db2.gz HFSQGTBHQJSRNT-UHFFFAOYSA-N -1 1 414.541 4.156 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](CC)C3)c2)cc1 ZINC000031681470 847928462 /nfs/dbraw/zinc/92/84/62/847928462.db2.gz RQOQJYIAUZNTEI-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)C1 ZINC000031681483 847928647 /nfs/dbraw/zinc/92/86/47/847928647.db2.gz JWYDLCGBGSDNAH-INIZCTEOSA-N -1 1 404.507 4.197 20 0 HIADMM O=S(=O)([N-]c1cc(Br)ccc1Br)c1ccccc1F ZINC000031720261 847937790 /nfs/dbraw/zinc/93/77/90/847937790.db2.gz JARGUWPSVNEBLL-UHFFFAOYSA-N -1 1 409.074 4.152 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000031721566 847938223 /nfs/dbraw/zinc/93/82/23/847938223.db2.gz IKOUUGLKVQKFCB-UHFFFAOYSA-N -1 1 405.259 4.490 20 0 HIADMM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(Cl)cn1 ZINC000436549662 861846862 /nfs/dbraw/zinc/84/68/62/861846862.db2.gz UYYGPSUYRDZZLT-JLTOFOAXSA-N -1 1 423.900 4.076 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1Cc2ccccc2C1 ZINC000436550668 861847734 /nfs/dbraw/zinc/84/77/34/861847734.db2.gz YFHLYOBMKFWAMJ-UHFFFAOYSA-N -1 1 422.431 4.162 20 0 HIADMM Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3ccc4ccccc4c3[O-])no2)cn1 ZINC000436552394 861848779 /nfs/dbraw/zinc/84/87/79/861848779.db2.gz CCNZOYDNBONAJT-LJQANCHMSA-N -1 1 417.469 4.086 20 0 HIADMM C[C@H]1CN(C2CCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3[O-])CC2)CCO1 ZINC000436559389 861851279 /nfs/dbraw/zinc/85/12/79/861851279.db2.gz VLINGAJUVOGSMR-INIZCTEOSA-N -1 1 414.933 4.038 20 0 HIADMM O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436559922 861851356 /nfs/dbraw/zinc/85/13/56/861851356.db2.gz AREVVJSRJKGQIP-INIZCTEOSA-N -1 1 411.260 4.472 20 0 HIADMM O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436559924 861851604 /nfs/dbraw/zinc/85/16/04/861851604.db2.gz AREVVJSRJKGQIP-MRXNPFEDSA-N -1 1 411.260 4.472 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)cc1NC(C)=O ZINC000032094453 847986775 /nfs/dbraw/zinc/98/67/75/847986775.db2.gz IEUZBDWXARCXGN-UHFFFAOYSA-N -1 1 420.556 4.489 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(CC4CCCC4)no3)c([O-])c2)c1 ZINC000436566662 861854060 /nfs/dbraw/zinc/85/40/60/861854060.db2.gz XFNGGBUIPRDYQD-UHFFFAOYSA-N -1 1 423.469 4.444 20 0 HIADMM CCCc1cc(=O)[n-]c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)n1 ZINC000032322895 848004372 /nfs/dbraw/zinc/00/43/72/848004372.db2.gz ZAXXWFPZVXMTJA-MRXNPFEDSA-N -1 1 413.465 4.497 20 0 HIADMM CCN(C(=O)c1ccc(Cl)cc1[O-])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000436565790 861854497 /nfs/dbraw/zinc/85/44/97/861854497.db2.gz WHHCGWMGKYXDLO-UHFFFAOYSA-N -1 1 416.953 4.399 20 0 HIADMM CCOc1cc(-c2noc([C@@H](c3ccccc3)N(C)C)n2)cc(Br)c1[O-] ZINC000436565493 861854517 /nfs/dbraw/zinc/85/45/17/861854517.db2.gz MWWSNRDHTWLIRO-MRXNPFEDSA-N -1 1 418.291 4.254 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3C[C@@H]3C)c2)cc1C ZINC000032394058 848017681 /nfs/dbraw/zinc/01/76/81/848017681.db2.gz LYUXYBPSHDKCFU-GJZGRUSLSA-N -1 1 406.935 4.143 20 0 HIADMM O=S(=O)([N-]Cc1ccc(-c2nc3ccccc3s2)o1)c1ccc(F)c(F)c1F ZINC000032440500 848026128 /nfs/dbraw/zinc/02/61/28/848026128.db2.gz BTYPGHZHYFVGIG-UHFFFAOYSA-N -1 1 424.425 4.452 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C[C@H]1C ZINC000436575107 861857935 /nfs/dbraw/zinc/85/79/35/861857935.db2.gz MTJNLIPVQBGNKE-CHWSQXEVSA-N -1 1 417.303 4.135 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCc2cc(F)c(F)cc21 ZINC000436577946 861858029 /nfs/dbraw/zinc/85/80/29/861858029.db2.gz UELHEWSBTAYHMM-FQEVSTJZSA-N -1 1 422.431 4.018 20 0 HIADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436580825 861858416 /nfs/dbraw/zinc/85/84/16/861858416.db2.gz XOLKOKSAGUFSBN-STQMWFEESA-N -1 1 417.303 4.420 20 0 HIADMM CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000032519681 848043121 /nfs/dbraw/zinc/04/31/21/848043121.db2.gz AKVJCZIDTUMYDH-UHFFFAOYSA-N -1 1 404.532 4.073 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1C ZINC000032589130 848050186 /nfs/dbraw/zinc/05/01/86/848050186.db2.gz LAIPDEFAUXQADD-UHFFFAOYSA-N -1 1 411.405 4.009 20 0 HIADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000032599832 848052181 /nfs/dbraw/zinc/05/21/81/848052181.db2.gz XKCSUZLGTQWYPV-UHFFFAOYSA-N -1 1 400.294 4.047 20 0 HIADMM CCN(CC)C(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000032628311 848055049 /nfs/dbraw/zinc/05/50/49/848055049.db2.gz OJWALFVALHTKIX-UHFFFAOYSA-N -1 1 418.559 4.032 20 0 HIADMM O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1cc(F)ccc1[O-] ZINC000436597532 861863161 /nfs/dbraw/zinc/86/31/61/861863161.db2.gz VQGHZPVVZARIJY-UHFFFAOYSA-N -1 1 404.195 4.128 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2ccccn2)c([O-])c1)c1cccc(Br)c1 ZINC000032742587 848070361 /nfs/dbraw/zinc/07/03/61/848070361.db2.gz MPVVEMHEIFVKNJ-UHFFFAOYSA-N -1 1 412.243 4.054 20 0 HIADMM C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436599973 861864012 /nfs/dbraw/zinc/86/40/12/861864012.db2.gz FXOSCXGBSDSUMS-MBSDFSHPSA-N -1 1 416.521 4.288 20 0 HIADMM COC(=O)c1cccc(NC2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)c1 ZINC000436603357 861865855 /nfs/dbraw/zinc/86/58/55/861865855.db2.gz MMZCGZUEZUMOFI-UHFFFAOYSA-N -1 1 404.466 4.049 20 0 HIADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000033098106 848108563 /nfs/dbraw/zinc/10/85/63/848108563.db2.gz XDINGCCJNRAROH-BEFAXECRSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3N(C)C)c2)c1 ZINC000033122739 848111481 /nfs/dbraw/zinc/11/14/81/848111481.db2.gz AXRZFSBBCQAHJR-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM CC[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436622391 861873558 /nfs/dbraw/zinc/87/35/58/861873558.db2.gz ZBROMNLSDWFUTD-MBSDFSHPSA-N -1 1 416.521 4.460 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCc3c2cccc3F)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436624083 861874278 /nfs/dbraw/zinc/87/42/78/861874278.db2.gz KDZBXJWTBBMGKD-UHFFFAOYSA-N -1 1 412.367 4.265 20 0 HIADMM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1ccccc1 ZINC000436629759 861875029 /nfs/dbraw/zinc/87/50/29/861875029.db2.gz KSGUGSWJXVVXHC-UHFFFAOYSA-N -1 1 413.861 4.439 20 0 HIADMM COc1ccc(-c2csc(NC(=O)c3cc(Cl)c([O-])c(OC)c3)n2)cc1OC ZINC000436629042 861875150 /nfs/dbraw/zinc/87/51/50/861875150.db2.gz HQUIOFXYCFYOEP-UHFFFAOYSA-N -1 1 420.874 4.447 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1[O-] ZINC000436643385 861880404 /nfs/dbraw/zinc/88/04/04/861880404.db2.gz XGRGMKRKROXGKU-LJQANCHMSA-N -1 1 406.482 4.154 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)c1 ZINC000436658396 861883744 /nfs/dbraw/zinc/88/37/44/861883744.db2.gz LGYDCEFJSLWTFN-UHFFFAOYSA-N -1 1 418.438 4.067 20 0 HIADMM C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3ccc4ccccc4c3[O-])c2)C1=O ZINC000436661009 861885757 /nfs/dbraw/zinc/88/57/57/861885757.db2.gz DZPGNYQHUFRXAL-XMMPIXPASA-N -1 1 415.449 4.023 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000436675581 861891052 /nfs/dbraw/zinc/89/10/52/861891052.db2.gz LGQXWUWHYOXVHH-NVQXNPDNSA-N -1 1 418.537 4.499 20 0 HIADMM O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)c1ccc([O-])cc1 ZINC000436691128 861895306 /nfs/dbraw/zinc/89/53/06/861895306.db2.gz XGNSQMWTHKLOBN-LJQANCHMSA-N -1 1 410.267 4.243 20 0 HIADMM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436690791 861895344 /nfs/dbraw/zinc/89/53/44/861895344.db2.gz RAFUWNSSYNJBDE-QGZVFWFLSA-N -1 1 417.509 4.293 20 0 HIADMM CCC(CC)c1nnc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000043697977 848451856 /nfs/dbraw/zinc/45/18/56/848451856.db2.gz ZOWQWYHMMGOGHG-UHFFFAOYSA-N -1 1 402.520 4.274 20 0 HIADMM Cn1c(Cc2csc(NC(=O)c3cc4c(s3)CCCCCC4)n2)n[n-]c1=S ZINC000043730519 848455214 /nfs/dbraw/zinc/45/52/14/848455214.db2.gz VWSGACXREQREFV-UHFFFAOYSA-N -1 1 419.601 4.498 20 0 HIADMM Cn1c(Cc2csc(NC(=O)Cc3c(Cl)cccc3Cl)n2)n[n-]c1=S ZINC000043730488 848455397 /nfs/dbraw/zinc/45/53/97/848455397.db2.gz FTGKIMYBFFOYHN-UHFFFAOYSA-N -1 1 414.343 4.013 20 0 HIADMM CN(C[C@H]1CCCO1)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436721021 861908552 /nfs/dbraw/zinc/90/85/52/861908552.db2.gz KVTTVJKRUMWMBX-CQSZACIVSA-N -1 1 423.296 4.202 20 0 HIADMM COc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1[N-]S(C)(=O)=O ZINC000044036346 848505402 /nfs/dbraw/zinc/50/54/02/848505402.db2.gz KBTHDYRPUPITNJ-UHFFFAOYSA-N -1 1 402.516 4.367 20 0 HIADMM COc1ccc(NC(=S)Nc2c(C)cc(C)cc2Cl)cc1[N-]S(C)(=O)=O ZINC000044383758 848554936 /nfs/dbraw/zinc/55/49/36/848554936.db2.gz HGQPFMQGIDOXTI-UHFFFAOYSA-N -1 1 413.952 4.146 20 0 HIADMM CN(Cc1csc(Br)c1)C(=O)c1ccc(Br)cc1[O-] ZINC000044483982 848560487 /nfs/dbraw/zinc/56/04/87/848560487.db2.gz LOMYUHLAUKKIMZ-UHFFFAOYSA-N -1 1 405.111 4.251 20 0 HIADMM Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436735164 861920091 /nfs/dbraw/zinc/92/00/91/861920091.db2.gz DANDBMIJCHHEJG-CQSZACIVSA-N -1 1 403.404 4.318 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1Cc2cccc(Cl)c2C1 ZINC000436741059 861924850 /nfs/dbraw/zinc/92/48/50/861924850.db2.gz BQASPAFUYAAZHE-NRFANRHFSA-N -1 1 420.896 4.346 20 0 HIADMM Cn1c(Cc2csc(NC(=O)c3cc(Cl)sc3Cl)n2)n[n-]c1=S ZINC000045074820 848629927 /nfs/dbraw/zinc/62/99/27/848629927.db2.gz RJCVUNHYPVTWIB-UHFFFAOYSA-N -1 1 406.345 4.146 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(F)c2)c1 ZINC000045171209 848642167 /nfs/dbraw/zinc/64/21/67/848642167.db2.gz CHODTCMYZATOLK-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(I)cc2C)c1 ZINC000045298847 848662170 /nfs/dbraw/zinc/66/21/70/848662170.db2.gz HWRAOLWIIBRMFG-UHFFFAOYSA-N -1 1 401.269 4.017 20 0 HIADMM CCCCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)C1CC1 ZINC000045370162 848671784 /nfs/dbraw/zinc/67/17/84/848671784.db2.gz FNPKFHWZPSHXRO-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000436756806 861943868 /nfs/dbraw/zinc/94/38/68/861943868.db2.gz FLSLOHBPRKGKAZ-NSHDSACASA-N -1 1 424.810 4.127 20 0 HIADMM O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cc2ccccc2cc1[O-] ZINC000436757614 861944505 /nfs/dbraw/zinc/94/45/05/861944505.db2.gz VFNRGDKDMNLAAE-UHFFFAOYSA-N -1 1 420.778 4.190 20 0 HIADMM COc1cc(NC(=O)c2cc(F)ccc2[O-])c(OC)cc1NC(=O)c1ccccc1 ZINC000436758391 861948911 /nfs/dbraw/zinc/94/89/11/861948911.db2.gz XVVCFFBNPAIFCN-UHFFFAOYSA-N -1 1 410.401 4.053 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C)[C@@H](C)c3ccco3)c([O-])c2)c1 ZINC000436761366 861952248 /nfs/dbraw/zinc/95/22/48/861952248.db2.gz YQKRGBCNQSOSKV-AWEZNQCLSA-N -1 1 424.453 4.088 20 0 HIADMM CCc1ccc(OCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000046611655 848886164 /nfs/dbraw/zinc/88/61/64/848886164.db2.gz ZRXOZFVQCCQVDS-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000436763688 861955269 /nfs/dbraw/zinc/95/52/69/861955269.db2.gz MCRLVMUZQJROPY-MRXNPFEDSA-N -1 1 417.330 4.226 20 0 HIADMM Cc1cc(N(C)C)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046674897 848906237 /nfs/dbraw/zinc/90/62/37/848906237.db2.gz AZXRMIDTWKQJTH-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM N#C[C@H](C(=O)CCSc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707192 848914960 /nfs/dbraw/zinc/91/49/60/848914960.db2.gz XYZYCHSFXLSDKL-OAHLLOKOSA-N -1 1 409.536 4.222 20 0 HIADMM Cc1nc([C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])c2ccc(Cl)cc2)no1 ZINC000436769941 861960835 /nfs/dbraw/zinc/96/08/35/861960835.db2.gz PGCUPVXYMHVEOM-OAHLLOKOSA-N -1 1 411.767 4.275 20 0 HIADMM CCCOCc1ccccc1CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047099725 848985318 /nfs/dbraw/zinc/98/53/18/848985318.db2.gz QUNAMKIFTLWAIX-UHFFFAOYSA-N -1 1 410.514 4.123 20 0 HIADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000047292571 849020934 /nfs/dbraw/zinc/02/09/34/849020934.db2.gz HRAOZLXIUUWJNT-MRXNPFEDSA-N -1 1 409.873 4.085 20 0 HIADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000436777449 861969736 /nfs/dbraw/zinc/96/97/36/861969736.db2.gz NMEYEPFAUUATNY-JLTOFOAXSA-N -1 1 423.431 4.466 20 0 HIADMM COc1cc(-c2noc([C@H](C)c3ccc4c(c3)OCO4)n2)cc(Br)c1[O-] ZINC000436782204 861973709 /nfs/dbraw/zinc/97/37/09/861973709.db2.gz HXZJXAFJNATVAJ-SECBINFHSA-N -1 1 419.231 4.094 20 0 HIADMM O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000436810814 861996506 /nfs/dbraw/zinc/99/65/06/861996506.db2.gz YSDDCWJWYIBABS-QFIPXVFZSA-N -1 1 416.521 4.289 20 0 HIADMM CCOc1cc(-c2noc(/C=C/c3ccc(C)cn3)n2)cc(Br)c1[O-] ZINC000436824087 862005488 /nfs/dbraw/zinc/00/54/88/862005488.db2.gz FSXWLGPZORDIEL-VOTSOKGWSA-N -1 1 402.248 4.477 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000050178237 849360543 /nfs/dbraw/zinc/36/05/43/849360543.db2.gz ZKLNATIIJHBRQB-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000436831760 862012117 /nfs/dbraw/zinc/01/21/17/862012117.db2.gz GKBOQBYLBSQRJN-HNNXBMFYSA-N -1 1 405.376 4.401 20 0 HIADMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000050534838 849392960 /nfs/dbraw/zinc/39/29/60/849392960.db2.gz UMCHQWYVUMGSHS-UHFFFAOYSA-N -1 1 416.490 4.368 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C(C3CC3)C3CC3)cc2)cc1C ZINC000050682508 849404291 /nfs/dbraw/zinc/40/42/91/849404291.db2.gz MQPJKXUDWHNWAJ-UHFFFAOYSA-N -1 1 412.555 4.365 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C)C[C@H]3CC=CCC3)c([O-])c2)c1 ZINC000436839527 862017522 /nfs/dbraw/zinc/01/75/22/862017522.db2.gz PXONZNILRNAMCN-INIZCTEOSA-N -1 1 424.497 4.090 20 0 HIADMM CC(C)n1c(CCNC(=O)c2cc(Br)ccc2[O-])nc2ccccc21 ZINC000436841962 862018669 /nfs/dbraw/zinc/01/86/69/862018669.db2.gz BWFINAQIAKYYGC-UHFFFAOYSA-N -1 1 402.292 4.058 20 0 HIADMM Cc1cc(Br)ccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000051286312 849453741 /nfs/dbraw/zinc/45/37/41/849453741.db2.gz DJGAVRKFZHFMOX-UHFFFAOYSA-N -1 1 402.288 4.198 20 0 HIADMM CCc1nc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000436864802 862044217 /nfs/dbraw/zinc/04/42/17/862044217.db2.gz PFUQBIUMAQKVOJ-KUHUBIRLSA-N -1 1 423.538 4.046 20 0 HIADMM CC(=O)c1cc(Br)ccc1OCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436869523 862045760 /nfs/dbraw/zinc/04/57/60/862045760.db2.gz AZHIDDUZORYCLY-UHFFFAOYSA-N -1 1 407.195 4.125 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CCCN3C(=O)c3ccccc3)n2)cc(Cl)c1[O-] ZINC000436868674 862046236 /nfs/dbraw/zinc/04/62/36/862046236.db2.gz BINGGWDIPZHOHZ-MRXNPFEDSA-N -1 1 413.861 4.472 20 0 HIADMM CCOC(=O)Nc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000053466713 849715247 /nfs/dbraw/zinc/71/52/47/849715247.db2.gz XHZXGMBJTIOKIQ-UHFFFAOYSA-N -1 1 411.487 4.123 20 0 HIADMM CCOc1cc(-c2noc(-c3c4ccccc4nn3C)n2)cc(Br)c1[O-] ZINC000436876086 862051655 /nfs/dbraw/zinc/05/16/55/862051655.db2.gz GHDXJTBTILANHH-UHFFFAOYSA-N -1 1 415.247 4.157 20 0 HIADMM Cc1cccc2c1CN(C(=O)c1ccc(NC(=O)c3cc(F)cc(F)c3)cc1[O-])CC2 ZINC000436878431 862056293 /nfs/dbraw/zinc/05/62/93/862056293.db2.gz CQRRURLQUAIRQN-UHFFFAOYSA-N -1 1 422.431 4.430 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1CO ZINC000054040984 849804546 /nfs/dbraw/zinc/80/45/46/849804546.db2.gz YXSTUVSFKQMALE-UHFFFAOYSA-N -1 1 409.813 4.051 20 0 HIADMM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc2o1 ZINC000054294362 849840813 /nfs/dbraw/zinc/84/08/13/849840813.db2.gz YTTWUSCQKYJYMY-UHFFFAOYSA-N -1 1 403.765 4.266 20 0 HIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc(F)cc(Br)c3[O-])[nH]c2c1 ZINC000436886477 862063348 /nfs/dbraw/zinc/06/33/48/862063348.db2.gz LCASGLDZKNFEGR-INIZCTEOSA-N -1 1 418.266 4.456 20 0 HIADMM O=C(Nc1nc(-c2cc(Br)cs2)cs1)C(=O)c1ccc([O-])cc1 ZINC000436886535 862063405 /nfs/dbraw/zinc/06/34/05/862063405.db2.gz LPHQLCLQPVFSET-UHFFFAOYSA-N -1 1 409.286 4.161 20 0 HIADMM CS(=O)(=O)c1ccc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)cc1 ZINC000436888162 862066455 /nfs/dbraw/zinc/06/64/55/862066455.db2.gz QOFUWEYUGYLNOH-UHFFFAOYSA-N -1 1 408.435 4.305 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000055485712 850037854 /nfs/dbraw/zinc/03/78/54/850037854.db2.gz HSGWUTGEZGLUGG-HZPDHXFCSA-N -1 1 402.564 4.339 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NNc3ccc(F)cc3)c2)c1 ZINC000055544295 850049930 /nfs/dbraw/zinc/04/99/30/850049930.db2.gz IFNKJLBUEGERGJ-UHFFFAOYSA-N -1 1 413.474 4.000 20 0 HIADMM O=C(NNc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000055544285 850050180 /nfs/dbraw/zinc/05/01/80/850050180.db2.gz KQVLLYXPFVQZQV-UHFFFAOYSA-N -1 1 419.865 4.037 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)c2ccccc12 ZINC000055581565 850061625 /nfs/dbraw/zinc/06/16/25/850061625.db2.gz SBSFHIPRTMRWDF-UHFFFAOYSA-N -1 1 412.511 4.178 20 0 HIADMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000055581160 850061665 /nfs/dbraw/zinc/06/16/65/850061665.db2.gz TVGRYTQRAPHEKY-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1ccc(-c2nnc3n2CCCCC3)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000055581692 850062851 /nfs/dbraw/zinc/06/28/51/850062851.db2.gz WIRYDITYWZMGBE-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000055616603 850079500 /nfs/dbraw/zinc/07/95/00/850079500.db2.gz UMDYERGUNAVFJW-UHFFFAOYSA-N -1 1 404.822 4.091 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1OCC ZINC000055638186 850087031 /nfs/dbraw/zinc/08/70/31/850087031.db2.gz OQDITNJRQPEBFS-UHFFFAOYSA-N -1 1 405.394 4.025 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccc3COc3ccccc3)ccc2o1 ZINC000055688032 850112112 /nfs/dbraw/zinc/11/21/12/850112112.db2.gz DROGFZVGKWEHME-UHFFFAOYSA-N -1 1 407.447 4.173 20 0 HIADMM COc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1-c1ccccn1 ZINC000436921566 862103639 /nfs/dbraw/zinc/10/36/39/862103639.db2.gz VYVSFTGAINMZDU-UHFFFAOYSA-N -1 1 421.844 4.154 20 0 HIADMM COc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1-c1ccccn1 ZINC000436921566 862103646 /nfs/dbraw/zinc/10/36/46/862103646.db2.gz VYVSFTGAINMZDU-UHFFFAOYSA-N -1 1 421.844 4.154 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CC2(CC2)c2ccccc21 ZINC000436932225 862109655 /nfs/dbraw/zinc/10/96/55/862109655.db2.gz MTRPORYDPJDZHV-QFIPXVFZSA-N -1 1 412.489 4.228 20 0 HIADMM COCCOc1ccc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)cn1 ZINC000436947780 862125691 /nfs/dbraw/zinc/12/56/91/862125691.db2.gz HPWQMPDRVNKUIG-UHFFFAOYSA-N -1 1 405.410 4.322 20 0 HIADMM COc1ccccc1-c1noc(C2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)n1 ZINC000436949132 862126223 /nfs/dbraw/zinc/12/62/23/862126223.db2.gz LPNLROIBARKAHZ-UHFFFAOYSA-N -1 1 413.861 4.124 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@H]3CCCCS3)no2)c(O)c1)c1cccs1 ZINC000436954548 862134053 /nfs/dbraw/zinc/13/40/53/862134053.db2.gz XBDPOMHSTHDCCN-CQSZACIVSA-N -1 1 423.541 4.263 20 0 HIADMM Cc1ccsc1-c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000436955037 862136032 /nfs/dbraw/zinc/13/60/32/862136032.db2.gz CIYCDTPTRPVEAL-UHFFFAOYSA-N -1 1 419.509 4.341 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc2cc[nH]c2c1 ZINC000056931470 850518360 /nfs/dbraw/zinc/51/83/60/850518360.db2.gz VJHJDTMXSKLDIA-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000056931601 850518671 /nfs/dbraw/zinc/51/86/71/850518671.db2.gz MUCOOLMCXOGGDQ-UHFFFAOYSA-N -1 1 418.471 4.143 20 0 HIADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000057115871 850550222 /nfs/dbraw/zinc/55/02/22/850550222.db2.gz ZOYGGKZXGFDYBP-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000057119965 850551608 /nfs/dbraw/zinc/55/16/08/850551608.db2.gz FATAXAXPXQCKEK-UHFFFAOYSA-N -1 1 413.499 4.235 20 0 HIADMM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cc(Br)ccc2[O-])no1 ZINC000436961014 862140674 /nfs/dbraw/zinc/14/06/74/862140674.db2.gz IUCGWEMSTSCCFI-AWEZNQCLSA-N -1 1 408.296 4.419 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C)c(C)c3ncccc23)c1 ZINC000436967102 862146938 /nfs/dbraw/zinc/14/69/38/862146938.db2.gz XDKKBVBTTOVYHM-UHFFFAOYSA-N -1 1 416.437 4.358 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000057390127 850626451 /nfs/dbraw/zinc/62/64/51/850626451.db2.gz RVSCJAHBSKUYDA-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CN(C(=O)c1ccc(Br)cc1[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000436985201 862165143 /nfs/dbraw/zinc/16/51/43/862165143.db2.gz DJHDAAKGPYIIRX-MAUKXSAKSA-N -1 1 408.267 4.286 20 0 HIADMM O=C(Cn1ccc2ccccc21)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058144475 850772624 /nfs/dbraw/zinc/77/26/24/850772624.db2.gz FHJQINVNICFABC-UHFFFAOYSA-N -1 1 405.479 4.081 20 0 HIADMM O=C([N-]NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccnc1Cl ZINC000058177122 850777730 /nfs/dbraw/zinc/77/77/30/850777730.db2.gz ZBQKGIQAYVSCQV-UHFFFAOYSA-N -1 1 409.220 4.039 20 0 HIADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(-c2ccc(N3CCOCC3)nc2)no1 ZINC000436994830 862170023 /nfs/dbraw/zinc/17/00/23/862170023.db2.gz GDNXLDHHOLXWGJ-UHFFFAOYSA-N -1 1 416.437 4.133 20 0 HIADMM O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000436997998 862172268 /nfs/dbraw/zinc/17/22/68/862172268.db2.gz GYNURPFIWFDJNY-AWEZNQCLSA-N -1 1 416.802 4.208 20 0 HIADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(OCc3nnc4n3CCCCC4)cc2)no1 ZINC000436999836 862173956 /nfs/dbraw/zinc/17/39/56/862173956.db2.gz MCGUIRLRFIWDRR-UHFFFAOYSA-N -1 1 421.432 4.145 20 0 HIADMM CCOc1cc(C)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000058565591 850857255 /nfs/dbraw/zinc/85/72/55/850857255.db2.gz APEOXFIIESTSJH-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1ccc(NC(=O)c2cccnc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000058949731 850965603 /nfs/dbraw/zinc/96/56/03/850965603.db2.gz FTWLGSTXWIETIH-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000059362158 851001590 /nfs/dbraw/zinc/00/15/90/851001590.db2.gz CIGNIQWHFUEWLV-UHFFFAOYSA-N -1 1 404.385 4.125 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1)N1CCCCCC1 ZINC000060274859 851058270 /nfs/dbraw/zinc/05/82/70/851058270.db2.gz XFEHNVGGFKLTJW-UHFFFAOYSA-N -1 1 409.458 4.174 20 0 HIADMM Cc1cccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000060411938 851090268 /nfs/dbraw/zinc/09/02/68/851090268.db2.gz CEJKOAKGDWBICK-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM Cc1ccc(NC(=O)CCc2cccs2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060411941 851090863 /nfs/dbraw/zinc/09/08/63/851090863.db2.gz YRYKLTFTCWLVPG-UHFFFAOYSA-N -1 1 400.525 4.429 20 0 HIADMM CCOc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1OCC ZINC000060544824 851141373 /nfs/dbraw/zinc/14/13/73/851141373.db2.gz PTUQQQUTCYCOFJ-UHFFFAOYSA-N -1 1 424.371 4.373 20 0 HIADMM O=C(NC1(c2ccccc2)CCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000060569641 851150919 /nfs/dbraw/zinc/15/09/19/851150919.db2.gz ADGLSLQPNRMGBD-UHFFFAOYSA-N -1 1 406.507 4.297 20 0 HIADMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)n1 ZINC000060658555 851180750 /nfs/dbraw/zinc/18/07/50/851180750.db2.gz IUIXMKUAXMCMBC-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc3c(c2)CCC3)cc1 ZINC000060693465 851193426 /nfs/dbraw/zinc/19/34/26/851193426.db2.gz VIOMZWOXQUNVNY-UHFFFAOYSA-N -1 1 422.554 4.202 20 0 HIADMM CC(=O)Nc1ccc(Cl)cc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000061433789 851376145 /nfs/dbraw/zinc/37/61/45/851376145.db2.gz KSCYWQLHZXYWOJ-UHFFFAOYSA-N -1 1 415.906 4.167 20 0 HIADMM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]NC(=O)CCOc1ccccc1 ZINC000061478624 851387821 /nfs/dbraw/zinc/38/78/21/851387821.db2.gz RSLYEGZPVVBAMG-UHFFFAOYSA-N -1 1 415.902 4.002 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]3c3ccccc3)c2)c1 ZINC000062300334 851527022 /nfs/dbraw/zinc/52/70/22/851527022.db2.gz CEBBYMFYLGMVOD-VXKWHMMOSA-N -1 1 406.507 4.082 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1c(C)cc(C)c(C(C)=O)c1C ZINC000062482290 851561286 /nfs/dbraw/zinc/56/12/86/851561286.db2.gz CZMWMPGDSMLQRI-UHFFFAOYSA-N -1 1 417.527 4.323 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2CN(CC)C(C)=O)cc1 ZINC000063174543 851627660 /nfs/dbraw/zinc/62/76/60/851627660.db2.gz RHPKODUDCZQDTL-UHFFFAOYSA-N -1 1 418.559 4.425 20 0 HIADMM CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000063181400 851629288 /nfs/dbraw/zinc/62/92/88/851629288.db2.gz FJYGNGJYTPOWKT-UHFFFAOYSA-N -1 1 407.879 4.217 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)NCc1cccc2ccccc21 ZINC000063797887 851766772 /nfs/dbraw/zinc/76/67/72/851766772.db2.gz RJUVXJRDFPXURA-UHFFFAOYSA-N -1 1 416.506 4.416 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)c2)no1 ZINC000063849559 851777668 /nfs/dbraw/zinc/77/76/68/851777668.db2.gz KBRREJXNKBZURU-UHFFFAOYSA-N -1 1 401.488 4.271 20 0 HIADMM CC(C)(C)OCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000063894589 851787696 /nfs/dbraw/zinc/78/76/96/851787696.db2.gz RPSOQWZHENKFGS-UHFFFAOYSA-N -1 1 411.907 4.113 20 0 HIADMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063912271 851791758 /nfs/dbraw/zinc/79/17/58/851791758.db2.gz NMXWLGYXKAMKFY-UHFFFAOYSA-N -1 1 418.412 4.174 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000064476235 851907562 /nfs/dbraw/zinc/90/75/62/851907562.db2.gz QRWUHZHCRUAZQG-UHFFFAOYSA-N -1 1 423.494 4.088 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cc(Br)cn2)cc1 ZINC000064476019 851907795 /nfs/dbraw/zinc/90/77/95/851907795.db2.gz KEVJOPRXYYRMKS-UHFFFAOYSA-N -1 1 424.345 4.158 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(COCCc3ccccc3)c2)cc1 ZINC000064938626 852027664 /nfs/dbraw/zinc/02/76/64/852027664.db2.gz JKPOITRXWASXBN-UHFFFAOYSA-N -1 1 409.507 4.449 20 0 HIADMM Cc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)s2)c(C)c1 ZINC000065083177 852058791 /nfs/dbraw/zinc/05/87/91/852058791.db2.gz GFWNJZZJEPNWCO-UHFFFAOYSA-N -1 1 413.415 4.199 20 0 HIADMM O=C([N-]NC(=O)c1cc(-c2ccccc2)on1)c1cnc(-c2ccccc2Cl)s1 ZINC000065087562 852059820 /nfs/dbraw/zinc/05/98/20/852059820.db2.gz CHDDSRHURXRIGA-UHFFFAOYSA-N -1 1 424.869 4.193 20 0 HIADMM O=C(NCc1ccco1)N[N-]C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000065148542 852077292 /nfs/dbraw/zinc/07/72/92/852077292.db2.gz OBJQZABWXMHTCJ-UHFFFAOYSA-N -1 1 410.282 4.459 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000065160475 852081490 /nfs/dbraw/zinc/08/14/90/852081490.db2.gz DYXKDQSWUAYZAP-UHFFFAOYSA-N -1 1 402.422 4.042 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000065895531 852307031 /nfs/dbraw/zinc/30/70/31/852307031.db2.gz ZDDBAIPIAZEPIH-UHFFFAOYSA-N -1 1 411.483 4.196 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCCC3)cc2)cc1 ZINC000069667181 852399730 /nfs/dbraw/zinc/39/97/30/852399730.db2.gz JEQRZHPRQWIITK-UHFFFAOYSA-N -1 1 416.543 4.292 20 0 HIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1 ZINC000071977153 852452094 /nfs/dbraw/zinc/45/20/94/852452094.db2.gz YKNGZBGDFFZLQX-UHFFFAOYSA-N -1 1 413.293 4.127 20 0 HIADMM CCOc1ccc(Oc2cc(C[N-]S(=O)(=O)c3c(F)cccc3F)ccn2)cc1 ZINC000071992004 852455745 /nfs/dbraw/zinc/45/57/45/852455745.db2.gz JAGTZDJMKGGSHC-UHFFFAOYSA-N -1 1 420.437 4.029 20 0 HIADMM Cc1[nH]c2ccccc2c1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000072081936 852500378 /nfs/dbraw/zinc/50/03/78/852500378.db2.gz HFMNUSZDJCABIB-UHFFFAOYSA-N -1 1 419.506 4.207 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(F)c(F)cc3F)cc2)cc1 ZINC000078508612 852516934 /nfs/dbraw/zinc/51/69/34/852516934.db2.gz BLABFXMDAFNYCX-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM C[C@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000078510668 852517499 /nfs/dbraw/zinc/51/74/99/852517499.db2.gz XILWHHFHRGXWBY-KRWDZBQOSA-N -1 1 406.507 4.326 20 0 HIADMM O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000097028899 852575168 /nfs/dbraw/zinc/57/51/68/852575168.db2.gz PWTBVRVYKPFJCY-UHFFFAOYSA-N -1 1 424.497 4.319 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2-n2ccnc2)c1 ZINC000097491361 852618325 /nfs/dbraw/zinc/61/83/25/852618325.db2.gz LDJQPSOUVFNGCF-UHFFFAOYSA-N -1 1 404.499 4.131 20 0 HIADMM COc1ccc(Nc2ccccc2C(=O)NCCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000097552801 852630232 /nfs/dbraw/zinc/63/02/32/852630232.db2.gz VFLWIFZDCUVCOS-UHFFFAOYSA-N -1 1 411.531 4.246 20 0 HIADMM Cn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000097569976 852631254 /nfs/dbraw/zinc/63/12/54/852631254.db2.gz IHAXGOICOGEBGU-UPJWGTAASA-N -1 1 411.358 4.294 20 0 HIADMM CCn1c([C@@H]2CCCN(C(=O)c3csc(-c4ccccc4F)n3)C2)n[n-]c1=S ZINC000097570146 852632105 /nfs/dbraw/zinc/63/21/05/852632105.db2.gz DBMHKLYUYNNVPF-GFCCVEGCSA-N -1 1 417.535 4.243 20 0 HIADMM Cn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)C1 ZINC000097570033 852632547 /nfs/dbraw/zinc/63/25/47/852632547.db2.gz LPHLTDYFYPRJNE-NSHDSACASA-N -1 1 419.963 4.274 20 0 HIADMM Cc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000107542861 852774974 /nfs/dbraw/zinc/77/49/74/852774974.db2.gz HIDBVGCFAVIEON-UHFFFAOYSA-N -1 1 422.506 4.397 20 0 HIADMM CCc1nnc([N-]C(=O)c2csc(-c3cc(Br)cs3)n2)s1 ZINC000108509891 852855511 /nfs/dbraw/zinc/85/55/11/852855511.db2.gz LQKBXXAOUSVAEA-UHFFFAOYSA-N -1 1 401.336 4.300 20 0 HIADMM CN(CCC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000108858873 852887322 /nfs/dbraw/zinc/88/73/22/852887322.db2.gz HJVBDWQLSJQDIJ-UHFFFAOYSA-N -1 1 420.840 4.165 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3c3ccccn3)c2)c1 ZINC000108893183 852890350 /nfs/dbraw/zinc/89/03/50/852890350.db2.gz DHYIKENUKYUUGR-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM COc1ccc(CC[C@@H](C)NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000109298284 852948436 /nfs/dbraw/zinc/94/84/36/852948436.db2.gz GTPLMPXIVCBKLC-MRXNPFEDSA-N -1 1 410.543 4.062 20 0 HIADMM CN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Br)cc1[O-] ZINC000109363983 852959153 /nfs/dbraw/zinc/95/91/53/852959153.db2.gz QZOJXPMPRXFGLF-UHFFFAOYSA-N -1 1 417.072 4.329 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c(Cl)cc1F ZINC000109410801 852966222 /nfs/dbraw/zinc/96/62/22/852966222.db2.gz PILYIKLIGFSXHU-UHFFFAOYSA-N -1 1 411.810 4.293 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000109894334 853029919 /nfs/dbraw/zinc/02/99/19/853029919.db2.gz RRNLXHHQEFOBHW-UHFFFAOYSA-N -1 1 401.532 4.445 20 0 HIADMM O=C(Nc1cnc2ccccc2c1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110016155 853047979 /nfs/dbraw/zinc/04/79/79/853047979.db2.gz VOMPUOYLUGMFIY-JOCHJYFZSA-N -1 1 411.461 4.337 20 0 HIADMM COc1ccc([C@H]2CCN(C(=O)CCn3c(=S)[n-]nc3-c3cccs3)C2)cc1 ZINC000110074174 853056211 /nfs/dbraw/zinc/05/62/11/853056211.db2.gz UBDWPILWBGUTDT-HNNXBMFYSA-N -1 1 414.556 4.084 20 0 HIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1ccc(Cl)nc1Cl ZINC000110207114 853074296 /nfs/dbraw/zinc/07/42/96/853074296.db2.gz KFKLRKRJMZDMRZ-UHFFFAOYSA-N -1 1 409.678 4.004 20 0 HIADMM Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000110231445 853077462 /nfs/dbraw/zinc/07/74/62/853077462.db2.gz MVARBQNYHJFKDP-JTSKRJEESA-N -1 1 402.494 4.336 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCNc3ccccc3)cc2)cc1 ZINC000110741582 853147284 /nfs/dbraw/zinc/14/72/84/853147284.db2.gz ZWULHAMVTNTPTG-UHFFFAOYSA-N -1 1 423.538 4.028 20 0 HIADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1 ZINC000110746966 853148229 /nfs/dbraw/zinc/14/82/29/853148229.db2.gz LDYBAPPUQRTPOJ-UHFFFAOYSA-N -1 1 406.515 4.086 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCNc2ccccc2)cc1 ZINC000110744383 853148414 /nfs/dbraw/zinc/14/84/14/853148414.db2.gz GDAFBVRGCKPGKR-UHFFFAOYSA-N -1 1 423.538 4.028 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCNc3ccccc3)c2)cc1 ZINC000110745437 853148465 /nfs/dbraw/zinc/14/84/65/853148465.db2.gz SEZIIAGUSPQNIJ-UHFFFAOYSA-N -1 1 423.538 4.028 20 0 HIADMM O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(Br)cc1[O-] ZINC000110963770 853175200 /nfs/dbraw/zinc/17/52/00/853175200.db2.gz QKCPRHCTZWTBNG-UHFFFAOYSA-N -1 1 418.316 4.036 20 0 HIADMM COc1ccc(-c2nc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cs2)cc1 ZINC000115495511 853253149 /nfs/dbraw/zinc/25/31/49/853253149.db2.gz CRLVTCWQFDUZHB-UHFFFAOYSA-N -1 1 422.506 4.259 20 0 HIADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)s1 ZINC000115724899 853261857 /nfs/dbraw/zinc/26/18/57/853261857.db2.gz WCACOHJVTVIMTJ-CQSZACIVSA-N -1 1 418.515 4.487 20 0 HIADMM COc1cccc(-c2nc(COC(=O)c3c([O-])cc(F)cc3F)cs2)c1OC ZINC000116109740 853283755 /nfs/dbraw/zinc/28/37/55/853283755.db2.gz HTNCYGMFXKNMLJ-UHFFFAOYSA-N -1 1 407.394 4.168 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)COc2cccc(F)c2)c1 ZINC000117703171 853365714 /nfs/dbraw/zinc/36/57/14/853365714.db2.gz NBBKCVKIRPHFHW-HNNXBMFYSA-N -1 1 414.506 4.029 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccncc3)c2)c1 ZINC000142768407 853500119 /nfs/dbraw/zinc/50/01/19/853500119.db2.gz HXJZCGRPZRUFAD-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM C[C@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000195700334 853766606 /nfs/dbraw/zinc/76/66/06/853766606.db2.gz UNBHRGOLSCGKRQ-IRXDYDNUSA-N -1 1 402.560 4.399 20 0 HIADMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)c(=O)o1 ZINC000207864518 853804705 /nfs/dbraw/zinc/80/47/05/853804705.db2.gz BSGLUOPIAACRAT-FRHQNKJESA-N -1 1 412.445 4.076 20 0 HIADMM CCOc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc(Cl)c1[O-] ZINC000216015465 853842584 /nfs/dbraw/zinc/84/25/84/853842584.db2.gz PWTZEXABHXXGJT-UHFFFAOYSA-N -1 1 409.313 4.369 20 0 HIADMM O=S(=O)([N-]c1cccnc1Br)c1ccc(Cl)c(F)c1Cl ZINC000236240779 853898626 /nfs/dbraw/zinc/89/86/26/853898626.db2.gz KEXBCIXEBZCUBQ-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM C[C@@](CC(=O)[O-])(C(=O)NNC(=O)c1sc2ccccc2c1Cl)C1CCCCC1 ZINC000237575940 854057613 /nfs/dbraw/zinc/05/76/13/854057613.db2.gz AFFYJBKBHMHFPT-FQEVSTJZSA-N -1 1 422.934 4.377 20 0 HIADMM O=S(=O)([N-][C@@H](c1cccs1)c1ccc(F)cc1)c1ccc(F)c(F)c1F ZINC000247291021 854156792 /nfs/dbraw/zinc/15/67/92/854156792.db2.gz AXNPHKLUZKSSAG-QGZVFWFLSA-N -1 1 401.406 4.372 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000248146997 854182794 /nfs/dbraw/zinc/18/27/94/854182794.db2.gz IAJWQRSZANGUEA-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CC(C)CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000248230256 854185788 /nfs/dbraw/zinc/18/57/88/854185788.db2.gz AAKQIJYNGJIMMP-CQSZACIVSA-N -1 1 410.486 4.320 20 0 HIADMM Cc1nc(-c2ccc(NCC3(c4ccc(F)cc4)CCOCC3)nc2)[n-]c(=O)c1C ZINC000301376514 854375516 /nfs/dbraw/zinc/37/55/16/854375516.db2.gz RLRJTUYMNCRSED-UHFFFAOYSA-N -1 1 408.477 4.160 20 0 HIADMM Cc1nc(-c2ccc(NC[C@H]3CCCCN3C(=O)OC(C)(C)C)nc2)[n-]c(=O)c1C ZINC000301377046 854375877 /nfs/dbraw/zinc/37/58/77/854375877.db2.gz RTHIHVDACBOFLL-QGZVFWFLSA-N -1 1 413.522 4.063 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)cc1Br ZINC000437301123 862558592 /nfs/dbraw/zinc/55/85/92/862558592.db2.gz CTSITAYPGLXNCU-UHFFFAOYSA-N -1 1 421.316 4.424 20 0 HIADMM CCc1noc(-c2ccc(CCNc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)cc2)n1 ZINC000301395485 854381470 /nfs/dbraw/zinc/38/14/70/854381470.db2.gz FHRNNIPHRQIVNR-UHFFFAOYSA-N -1 1 416.485 4.128 20 0 HIADMM Cc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c(OC[C@@H]2CCOC2)c1 ZINC000301576537 854423776 /nfs/dbraw/zinc/42/37/76/854423776.db2.gz QWSZMEOEMCCYGS-GOSISDBHSA-N -1 1 420.513 4.197 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N[C@@H]2CCOC3(CCCC3)C2)nc1 ZINC000301694322 854447475 /nfs/dbraw/zinc/44/74/75/854447475.db2.gz MBBCMLOAHBJXMH-OAHLLOKOSA-N -1 1 423.485 4.064 20 0 HIADMM Cc1nc(-c2ccc(N[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nc2)[n-]c(=O)c1C ZINC000302513532 854579525 /nfs/dbraw/zinc/57/95/25/854579525.db2.gz UKJMJHVSYRZDMB-DLBZAZTESA-N -1 1 413.522 4.109 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](c2ccco2)c2ccccc2)cc1 ZINC000302776137 854631841 /nfs/dbraw/zinc/63/18/41/854631841.db2.gz ZGFQVTQBWVAPAN-FQEVSTJZSA-N -1 1 420.494 4.115 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000302848317 854655259 /nfs/dbraw/zinc/65/52/59/854655259.db2.gz NLLYZJWWZHYKKZ-UHFFFAOYSA-N -1 1 424.501 4.071 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cnn(-c3ccccc3)c2)c1 ZINC000303016539 854724765 /nfs/dbraw/zinc/72/47/65/854724765.db2.gz KUAZQOXHVYIONP-UHFFFAOYSA-N -1 1 404.499 4.131 20 0 HIADMM CC[C@@H](C)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000303023726 854728105 /nfs/dbraw/zinc/72/81/05/854728105.db2.gz RQCUGZKUGRJIHY-OLZOCXBDSA-N -1 1 412.914 4.444 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N[C@@H](c1nccs1)c1ccccc1 ZINC000303218167 854821328 /nfs/dbraw/zinc/82/13/28/854821328.db2.gz RAFPIEMLZDORHC-OAHLLOKOSA-N -1 1 413.553 4.031 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC(C)(C)c2cccs2)cc1 ZINC000303617375 855080844 /nfs/dbraw/zinc/08/08/44/855080844.db2.gz WJXRETWYHZXZFV-UHFFFAOYSA-N -1 1 400.573 4.462 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000303762811 855181501 /nfs/dbraw/zinc/18/15/01/855181501.db2.gz HVZOAYXRTWRAEP-MAUKXSAKSA-N -1 1 410.518 4.460 20 0 HIADMM CCCC[C@H](COC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000303796203 855202886 /nfs/dbraw/zinc/20/28/86/855202886.db2.gz RMHWKZJRQXONLR-GOSISDBHSA-N -1 1 418.559 4.039 20 0 HIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Br)c1cnccc1Cl ZINC000318828633 855383985 /nfs/dbraw/zinc/38/39/85/855383985.db2.gz GIUWQJYJKMEVGX-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1Cl ZINC000319089670 855384952 /nfs/dbraw/zinc/38/49/52/855384952.db2.gz CDOAIFJESHFRPJ-UHFFFAOYSA-N -1 1 405.657 4.120 20 0 HIADMM O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(I)c([O-])c1 ZINC000318917752 855385458 /nfs/dbraw/zinc/38/54/58/855385458.db2.gz WZRAHICZZWSZLT-UHFFFAOYSA-N -1 1 423.128 4.148 20 0 HIADMM Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000319837707 855387215 /nfs/dbraw/zinc/38/72/15/855387215.db2.gz OEJVCGFVVVKWTL-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)c1 ZINC000322927274 855393540 /nfs/dbraw/zinc/39/35/40/855393540.db2.gz YELMHSSZQVWCRA-UHFFFAOYSA-N -1 1 400.269 4.290 20 0 HIADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000323087289 855394769 /nfs/dbraw/zinc/39/47/69/855394769.db2.gz IPTDXDKULZLTQI-UHFFFAOYSA-N -1 1 402.285 4.485 20 0 HIADMM CN(C)c1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000326766894 855411910 /nfs/dbraw/zinc/41/19/10/855411910.db2.gz LNQUZXDLBMZLPU-UHFFFAOYSA-N -1 1 423.705 4.212 20 0 HIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1c(Cl)nc2ccccn21 ZINC000327386655 855417385 /nfs/dbraw/zinc/41/73/85/855417385.db2.gz QJXFKHOXFICSLE-UHFFFAOYSA-N -1 1 410.204 4.461 20 0 HIADMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000389200812 855450478 /nfs/dbraw/zinc/45/04/78/855450478.db2.gz AFLUCIVMPOZIDO-UHFFFAOYSA-N -1 1 405.657 4.120 20 0 HIADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000389361008 855450542 /nfs/dbraw/zinc/45/05/42/855450542.db2.gz XJWHMMKCPPVUIZ-UHFFFAOYSA-N -1 1 405.657 4.120 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1C ZINC000410383250 855964246 /nfs/dbraw/zinc/96/42/46/855964246.db2.gz PJYKPCHXSNPOTQ-UHFFFAOYSA-N -1 1 424.950 4.253 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccccc3NC(C)(C)C)c3cccc(c23)C1=O ZINC000410399107 855973827 /nfs/dbraw/zinc/97/38/27/855973827.db2.gz CUJMOZDWFZNYDT-UHFFFAOYSA-N -1 1 409.511 4.441 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)cc1Br ZINC000410415909 855984278 /nfs/dbraw/zinc/98/42/78/855984278.db2.gz FNCPINRKSNWMSO-UHFFFAOYSA-N -1 1 420.332 4.267 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000425970380 856023532 /nfs/dbraw/zinc/02/35/32/856023532.db2.gz FIJRGMSWMAFQOT-UHFFFAOYSA-N -1 1 416.543 4.195 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1)C1CCCCC1 ZINC000425981006 856029458 /nfs/dbraw/zinc/02/94/58/856029458.db2.gz MVRMLYROOJNQET-UHFFFAOYSA-N -1 1 400.500 4.036 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1C ZINC000425989114 856033570 /nfs/dbraw/zinc/03/35/70/856033570.db2.gz JDMDSRSZUWDKKW-UHFFFAOYSA-N -1 1 416.547 4.091 20 0 HIADMM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)c2)n1 ZINC000426006600 856043158 /nfs/dbraw/zinc/04/31/58/856043158.db2.gz XFNCKQITBMGWEY-UHFFFAOYSA-N -1 1 418.522 4.411 20 0 HIADMM Cc1nsc(C)c1-c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000426599236 856365741 /nfs/dbraw/zinc/36/57/41/856365741.db2.gz UVBKWHZXRJRJJF-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM CCc1nc(CNCc2ccc(OCc3ccc(F)cc3)c(OC)c2)ccc1C(=O)[O-] ZINC000426652251 856394316 /nfs/dbraw/zinc/39/43/16/856394316.db2.gz RMRNMNNRTSMTOH-UHFFFAOYSA-N -1 1 424.472 4.359 20 0 HIADMM Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](CC(=O)[O-])c1ccsc1 ZINC000426693049 856416644 /nfs/dbraw/zinc/41/66/44/856416644.db2.gz XNRVMMLTOSPKLT-KRWDZBQOSA-N -1 1 420.332 4.310 20 0 HIADMM O=C([O-])[C@H](CNCc1csc(COc2ccccc2)n1)Cc1ccccc1Cl ZINC000426706369 856423242 /nfs/dbraw/zinc/42/32/42/856423242.db2.gz SFDGLGJUWMGQLO-INIZCTEOSA-N -1 1 416.930 4.409 20 0 HIADMM Cc1cccc(-c2nn(Cc3ccccc3)cc2CNCc2cc(C(=O)[O-])co2)c1 ZINC000426713184 856428807 /nfs/dbraw/zinc/42/88/07/856428807.db2.gz CDFLFPCFRMPLTF-UHFFFAOYSA-N -1 1 401.466 4.488 20 0 HIADMM O=C([O-])C[C@@H](NCc1cccc(OC(F)(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000426726628 856436759 /nfs/dbraw/zinc/43/67/59/856436759.db2.gz KXMPHUBQFSTNDF-GOSISDBHSA-N -1 1 405.376 4.077 20 0 HIADMM O=C([O-])C[C@@H](NCc1cccc(OC2CCCC2)c1)c1cnn(-c2ccccc2)c1 ZINC000426760251 856462517 /nfs/dbraw/zinc/46/25/17/856462517.db2.gz ZITRUUJFYBIUFA-HSZRJFAPSA-N -1 1 405.498 4.499 20 0 HIADMM COc1cc2c(cc1CN[C@@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1)OCO2 ZINC000426789022 856479211 /nfs/dbraw/zinc/47/92/11/856479211.db2.gz RBBSIAGHNBRZKJ-HNNXBMFYSA-N -1 1 412.269 4.426 20 0 HIADMM O=C([O-])[C@@H](NCc1cc(Br)ccc1F)c1ccc(Br)cc1 ZINC000426796166 856483310 /nfs/dbraw/zinc/48/33/10/856483310.db2.gz ANFHLXCUFJXZEO-AWEZNQCLSA-N -1 1 417.072 4.266 20 0 HIADMM COc1ccc(C(=O)Nc2cccc(CN[C@H](C(=O)[O-])c3ccccc3F)c2)cc1 ZINC000426796270 856483700 /nfs/dbraw/zinc/48/37/00/856483700.db2.gz BJUQWOXRJOVEKT-NRFANRHFSA-N -1 1 408.429 4.002 20 0 HIADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c(Cl)c1OC ZINC000426810476 856490904 /nfs/dbraw/zinc/49/09/04/856490904.db2.gz ZTNIGTLYTFYTSF-HNNXBMFYSA-N -1 1 414.683 4.035 20 0 HIADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000427052680 856611739 /nfs/dbraw/zinc/61/17/39/856611739.db2.gz HDDMTHICJUMNIJ-UHFFFAOYSA-N -1 1 420.490 4.259 20 0 HIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)cc1 ZINC000427119937 856650556 /nfs/dbraw/zinc/65/05/56/856650556.db2.gz OFXVCVMCTJSFJG-UHFFFAOYSA-N -1 1 417.556 4.324 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(-c4noc(C(F)F)n4)cc3)cc2s1 ZINC000427217340 856717581 /nfs/dbraw/zinc/71/75/81/856717581.db2.gz HZAKQUNIGURVPN-UHFFFAOYSA-N -1 1 422.438 4.393 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(CC(F)F)C(C)C)c2)c1 ZINC000427228238 856724886 /nfs/dbraw/zinc/72/48/86/856724886.db2.gz SWHIHEJJZHQFTL-UHFFFAOYSA-N -1 1 410.486 4.220 20 0 HIADMM COc1cc(C(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)cc(Cl)c1[O-] ZINC000428227696 857119279 /nfs/dbraw/zinc/11/92/79/857119279.db2.gz JNFSLHPDWKLQLJ-UHFFFAOYSA-N -1 1 413.739 4.375 20 0 HIADMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)cc1 ZINC000428317856 857149691 /nfs/dbraw/zinc/14/96/91/857149691.db2.gz DQJNKQSCHVMGLJ-UWJYYQICSA-N -1 1 416.525 4.198 20 0 HIADMM Cc1noc(C[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c2ccccc2)n1 ZINC000428420791 857198948 /nfs/dbraw/zinc/19/89/48/857198948.db2.gz IYVSTMVCGYJATL-NSHDSACASA-N -1 1 418.327 4.009 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CC[C@@H]2CCC[C@H]21 ZINC000428525490 857241378 /nfs/dbraw/zinc/24/13/78/857241378.db2.gz ZXOWYXKCRCODAD-ORAYPTAESA-N -1 1 422.909 4.295 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000428665073 857293189 /nfs/dbraw/zinc/29/31/89/857293189.db2.gz CYBCFJGFUDQSIJ-NSHDSACASA-N -1 1 407.301 4.169 20 0 HIADMM Cc1nc(-c2ccc(NC[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)nc2)[n-]c(=O)c1C ZINC000428677818 857295061 /nfs/dbraw/zinc/29/50/61/857295061.db2.gz HJNQOAZTJKQCGS-RDPSFJRHSA-N -1 1 422.504 4.186 20 0 HIADMM O=S(=O)(Cc1ccccc1Cl)[N-]c1ccccc1-c1ncc2n1CCCC2 ZINC000430370153 858137734 /nfs/dbraw/zinc/13/77/34/858137734.db2.gz RREWOMSOJHHZOI-UHFFFAOYSA-N -1 1 401.919 4.482 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)cc2)cc1 ZINC000430455496 858173927 /nfs/dbraw/zinc/17/39/27/858173927.db2.gz OICMTMFKCQAFAO-VQIMIIECSA-N -1 1 416.543 4.147 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(Cl)cc1Br ZINC000431140306 858467127 /nfs/dbraw/zinc/46/71/27/858467127.db2.gz RSSPPVAPRADNFG-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CCC[C@H]1C[C@@H](C(=O)Nc2cc([O-])c(Br)cc2Br)CCO1 ZINC000431448643 858620789 /nfs/dbraw/zinc/62/07/89/858620789.db2.gz ZCHUGSNJDLAVDV-UWVGGRQHSA-N -1 1 421.129 4.451 20 0 HIADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc([O-])c(Br)cc2Br)O1 ZINC000431455079 858625086 /nfs/dbraw/zinc/62/50/86/858625086.db2.gz AUCHCYUMURQLDI-BDAKNGLRSA-N -1 1 407.102 4.203 20 0 HIADMM COc1ccc2c(c1)[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)CC2 ZINC000431477714 858636407 /nfs/dbraw/zinc/63/64/07/858636407.db2.gz MSDKYSFXBXJTSE-OAQYLSRUSA-N -1 1 422.506 4.165 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1cccc(Cl)c1Br ZINC000431623966 858696198 /nfs/dbraw/zinc/69/61/98/858696198.db2.gz UKLVRBKOUBRDLL-CYBMUJFWSA-N -1 1 410.667 4.387 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cn1 ZINC000431880320 858853087 /nfs/dbraw/zinc/85/30/87/858853087.db2.gz CWXIOGLKVSLWKR-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccc(NC(=O)c2c[nH]c(C(F)(F)F)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000431992504 858910112 /nfs/dbraw/zinc/91/01/12/858910112.db2.gz OSYTVSPMFSWKQR-UHFFFAOYSA-N -1 1 423.416 4.395 20 0 HIADMM COc1cccc2c1[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)CC2 ZINC000432004291 858918724 /nfs/dbraw/zinc/91/87/24/858918724.db2.gz YVEZKOBVYXLMCJ-HXUWFJFHSA-N -1 1 422.506 4.165 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c[nH]c(C(F)(F)F)c1 ZINC000432006676 858920964 /nfs/dbraw/zinc/92/09/64/858920964.db2.gz LRNJZUUKWCGMHR-UHFFFAOYSA-N -1 1 409.389 4.087 20 0 HIADMM CC(C)(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(F)(F)F ZINC000432044941 858946957 /nfs/dbraw/zinc/94/69/57/858946957.db2.gz BYAVQODJWKZMDN-UHFFFAOYSA-N -1 1 415.433 4.489 20 0 HIADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)c1 ZINC000432063277 858961318 /nfs/dbraw/zinc/96/13/18/858961318.db2.gz BDNSNZVWIBNKKO-UHFFFAOYSA-N -1 1 414.449 4.029 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cc1C ZINC000432091867 858982624 /nfs/dbraw/zinc/98/26/24/858982624.db2.gz OSRAKRZMQPNYQN-UHFFFAOYSA-N -1 1 402.697 4.414 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1Cl ZINC000432201843 859043789 /nfs/dbraw/zinc/04/37/89/859043789.db2.gz GFWWWJXNNSOPFZ-UHFFFAOYSA-N -1 1 405.863 4.118 20 0 HIADMM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cccc21 ZINC000432469017 859178274 /nfs/dbraw/zinc/17/82/74/859178274.db2.gz BGDWBXLYPWLDNQ-HNNXBMFYSA-N -1 1 401.315 4.179 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2noc(C3CC3)n2)c1)c1ccc(F)c2ncccc12 ZINC000432492277 859192000 /nfs/dbraw/zinc/19/20/00/859192000.db2.gz XTQRWTOFKSQDFV-UHFFFAOYSA-N -1 1 410.430 4.102 20 0 HIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cnc(-c2ncccn2)s1 ZINC000432589254 859242327 /nfs/dbraw/zinc/24/23/27/859242327.db2.gz URXJBWWCAJZFRQ-CQSZACIVSA-N -1 1 420.523 4.172 20 0 HIADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000432617754 859257235 /nfs/dbraw/zinc/25/72/35/859257235.db2.gz ASSLSLUCZGACMU-HNNXBMFYSA-N -1 1 402.491 4.031 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC000432649359 859273110 /nfs/dbraw/zinc/27/31/10/859273110.db2.gz PIGVNNLUKWTBHZ-UHFFFAOYSA-N -1 1 402.303 4.244 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(-c2nc(-c3cscn3)no2)cc1 ZINC000432677067 859286918 /nfs/dbraw/zinc/28/69/18/859286918.db2.gz IMJDWAWOPKGWRY-UHFFFAOYSA-N -1 1 416.459 4.108 20 0 HIADMM Cc1cc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)n2)ccn1 ZINC000432682661 859290828 /nfs/dbraw/zinc/29/08/28/859290828.db2.gz RUTWBKPTIGQTPV-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4cscn4)no3)cc2)ccc1F ZINC000432690734 859297039 /nfs/dbraw/zinc/29/70/39/859297039.db2.gz RNEDFYWZVHODAY-UHFFFAOYSA-N -1 1 416.459 4.108 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OCC(C)C)c(OCC)c2)[n-]c1=O ZINC000432709671 859309781 /nfs/dbraw/zinc/30/97/81/859309781.db2.gz QGPGNRCVZNCTSC-XNTDXEJSSA-N -1 1 400.475 4.353 20 0 HIADMM Cc1cc(F)cc(NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000432735430 859326559 /nfs/dbraw/zinc/32/65/59/859326559.db2.gz JFOQQEZQKOARRZ-UHFFFAOYSA-N -1 1 413.474 4.257 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1Cl ZINC000432766334 859346435 /nfs/dbraw/zinc/34/64/35/859346435.db2.gz BWPPHSHTZOTZPL-UHFFFAOYSA-N -1 1 408.829 4.432 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)c(C)c2)cc1C(C)C ZINC000432779340 859356992 /nfs/dbraw/zinc/35/69/92/859356992.db2.gz HICBDVZCKHJDPZ-UHFFFAOYSA-N -1 1 418.559 4.374 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3cccc(C(C)C)c3)c2)n1 ZINC000432916795 859429180 /nfs/dbraw/zinc/42/91/80/859429180.db2.gz JUNOXCUKRYVKKE-UHFFFAOYSA-N -1 1 407.474 4.094 20 0 HIADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Br)sc1Cl)c1cccnc1 ZINC000433435305 859701020 /nfs/dbraw/zinc/70/10/20/859701020.db2.gz RYXZSJRBDANTEB-LLVKDONJSA-N -1 1 423.785 4.277 20 0 HIADMM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1cc(Br)sc1Cl ZINC000433647425 859823348 /nfs/dbraw/zinc/82/33/48/859823348.db2.gz WUYQACAAUQZFNZ-UHFFFAOYSA-N -1 1 405.726 4.124 20 0 HIADMM CSC1(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000433725623 859855710 /nfs/dbraw/zinc/85/57/10/859855710.db2.gz ZICYWWZCBZAFKM-UHFFFAOYSA-N -1 1 424.975 4.075 20 0 HIADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000433944558 859992534 /nfs/dbraw/zinc/99/25/34/859992534.db2.gz WOIKKJYXILYZNQ-MRXNPFEDSA-N -1 1 410.495 4.026 20 0 HIADMM Cc1ccc(NC(=O)CCOCC2CC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000434230252 860214553 /nfs/dbraw/zinc/21/45/53/860214553.db2.gz VZALBOBLNWSDIL-UHFFFAOYSA-N -1 1 422.934 4.204 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)s1 ZINC000434371250 860317784 /nfs/dbraw/zinc/31/77/84/860317784.db2.gz DCIYFERSFRCYGF-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)s1 ZINC000434373156 860318757 /nfs/dbraw/zinc/31/87/57/860318757.db2.gz YSIVTUBNHCUTER-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000467750832 881557457 /nfs/dbraw/zinc/55/74/57/881557457.db2.gz CCAOIUHUSTZYGK-UHFFFAOYSA-N -1 1 420.874 4.353 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000467759074 881575408 /nfs/dbraw/zinc/57/54/08/881575408.db2.gz NJWCELKOILTAEK-UHFFFAOYSA-N -1 1 424.434 4.428 20 0 HIADMM CS[C@@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC000435390947 860782166 /nfs/dbraw/zinc/78/21/66/860782166.db2.gz UUACULGFQKTKDD-LJQANCHMSA-N -1 1 418.584 4.154 20 0 HIADMM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1c(Cl)cc(F)cc1Cl ZINC000435422034 860794866 /nfs/dbraw/zinc/79/48/66/860794866.db2.gz KIDLKUXZULLJQG-UHFFFAOYSA-N -1 1 401.246 4.266 20 0 HIADMM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1c(Cl)cc(F)cc1Cl ZINC000435429533 860797234 /nfs/dbraw/zinc/79/72/34/860797234.db2.gz XOHNBOWDYHHPFG-UHFFFAOYSA-N -1 1 400.205 4.212 20 0 HIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1c(Cl)cc(F)cc1Cl ZINC000435476302 860813017 /nfs/dbraw/zinc/81/30/17/860813017.db2.gz DCUZGNAQOXGISH-UHFFFAOYSA-N -1 1 412.653 4.358 20 0 HIADMM CCc1cc(=O)[n-]c(SCc2ccc(I)c(Cl)c2)n1 ZINC000435491868 860819940 /nfs/dbraw/zinc/81/99/40/860819940.db2.gz UTEFDZSQCNPZGJ-UHFFFAOYSA-N -1 1 406.676 4.295 20 0 HIADMM CCc1occc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000435798474 861069146 /nfs/dbraw/zinc/06/91/46/861069146.db2.gz IFXDTTFCYQLDHF-UHFFFAOYSA-N -1 1 420.874 4.254 20 0 HIADMM CC1=CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000437951821 863325081 /nfs/dbraw/zinc/32/50/81/863325081.db2.gz HRWFWCYUUAYZRL-UHFFFAOYSA-N -1 1 408.882 4.072 20 0 HIADMM C[C@H]1[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)C1(F)F ZINC000438047553 863411081 /nfs/dbraw/zinc/41/10/81/863411081.db2.gz DCGCAKNVXOMKMZ-BJOHPYRUSA-N -1 1 418.824 4.120 20 0 HIADMM O=C(CCc1ccoc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438052708 863418224 /nfs/dbraw/zinc/41/82/24/863418224.db2.gz DZMQEGCWJKEZJE-UHFFFAOYSA-N -1 1 422.865 4.444 20 0 HIADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000467835026 881668548 /nfs/dbraw/zinc/66/85/48/881668548.db2.gz OMMHNIJBTTVJER-BETUJISGSA-N -1 1 410.898 4.293 20 0 HIADMM CCc1ncsc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000438242616 863701165 /nfs/dbraw/zinc/70/11/65/863701165.db2.gz CVHJLCKKSKLHJJ-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438689586 864156854 /nfs/dbraw/zinc/15/68/54/864156854.db2.gz WJZPMPBGMRVDRV-CTNGQTDRSA-N -1 1 416.525 4.013 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)cc2)o1 ZINC000438717747 864199288 /nfs/dbraw/zinc/19/92/88/864199288.db2.gz OHPRVLSGBYVHGK-LLVKDONJSA-N -1 1 419.890 4.077 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)cc2)o1 ZINC000438717748 864199979 /nfs/dbraw/zinc/19/99/79/864199979.db2.gz OHPRVLSGBYVHGK-NSHDSACASA-N -1 1 419.890 4.077 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)cc2)o1 ZINC000438727834 864212562 /nfs/dbraw/zinc/21/25/62/864212562.db2.gz SKCRJAGTZYQDJC-UHFFFAOYSA-N -1 1 422.304 4.171 20 0 HIADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000438750652 864240830 /nfs/dbraw/zinc/24/08/30/864240830.db2.gz HOBOXRBJOCKXBK-UHFFFAOYSA-N -1 1 424.238 4.069 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3-n3cccc3)ccc2N1 ZINC000438752809 864243852 /nfs/dbraw/zinc/24/38/52/864243852.db2.gz GTRAOJUDFCMIAD-UHFFFAOYSA-N -1 1 415.902 4.206 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000438759622 864252383 /nfs/dbraw/zinc/25/23/83/864252383.db2.gz ZCJUVEUNAUVLRL-UHFFFAOYSA-N -1 1 405.495 4.343 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)cc1O ZINC000438758159 864252482 /nfs/dbraw/zinc/25/24/82/864252482.db2.gz RBMSSXOXOXYNBE-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000438774215 864269197 /nfs/dbraw/zinc/26/91/97/864269197.db2.gz DKXHJOWCYYPQNZ-UHFFFAOYSA-N -1 1 403.529 4.353 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000438776816 864271804 /nfs/dbraw/zinc/27/18/04/864271804.db2.gz JEPHVULJAIDCFJ-MHZLTWQESA-N -1 1 417.527 4.384 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000438787555 864280319 /nfs/dbraw/zinc/28/03/19/864280319.db2.gz SUVCBRQEWLRENI-UHFFFAOYSA-N -1 1 415.284 4.128 20 0 HIADMM CCCCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438797164 864289063 /nfs/dbraw/zinc/28/90/63/864289063.db2.gz SWPPPOXOIHWYIL-UHFFFAOYSA-N -1 1 413.879 4.027 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1 ZINC000438802056 864293239 /nfs/dbraw/zinc/29/32/39/864293239.db2.gz BRYBEYREUWDKFL-UHFFFAOYSA-N -1 1 400.422 4.300 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000438806725 864297670 /nfs/dbraw/zinc/29/76/70/864297670.db2.gz QEQNZLLWJSLANW-UHFFFAOYSA-N -1 1 408.838 4.434 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)c1nc(-c2cccnc2)no1 ZINC000438997368 864453554 /nfs/dbraw/zinc/45/35/54/864453554.db2.gz HAFQIJMFMZKBKX-INIZCTEOSA-N -1 1 420.560 4.166 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)C3(C)CC3)cc2)ccc1F ZINC000439018084 864469477 /nfs/dbraw/zinc/46/94/77/864469477.db2.gz AWLOAXHUOJLVFH-HNNXBMFYSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)C3(C)CC3)ccc2C)cc1 ZINC000439020890 864473693 /nfs/dbraw/zinc/47/36/93/864473693.db2.gz IQNITSMNLCMJEI-KRWDZBQOSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)C3(C)CC3)c2)cc1F ZINC000439021827 864475196 /nfs/dbraw/zinc/47/51/96/864475196.db2.gz KODIAEAVRJRENO-HNNXBMFYSA-N -1 1 404.507 4.196 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)C3(C)CC3)c2)cc1 ZINC000439027690 864483756 /nfs/dbraw/zinc/48/37/56/864483756.db2.gz OJRMLABPZLINSZ-MRXNPFEDSA-N -1 1 416.543 4.147 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000439062582 864515218 /nfs/dbraw/zinc/51/52/18/864515218.db2.gz YJMIRUNSZDGKBO-REWPJTCUSA-N -1 1 414.505 4.166 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2C[C@H](C)CC[C@H]2C)c1 ZINC000439087179 864534939 /nfs/dbraw/zinc/53/49/39/864534939.db2.gz NRUHDFOLSPEYJS-GDBMZVCRSA-N -1 1 404.507 4.196 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cscc3C)c2)cc1 ZINC000439177089 864606157 /nfs/dbraw/zinc/60/61/57/864606157.db2.gz GNARFGWDTBFMIL-UHFFFAOYSA-N -1 1 402.497 4.118 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(-c4nc(C)co4)c3)cc2F)c1 ZINC000467924442 881797303 /nfs/dbraw/zinc/79/73/03/881797303.db2.gz KZCBHNINLNRHSR-UHFFFAOYSA-N -1 1 412.446 4.084 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc3[nH]cnc32)c1 ZINC000439342906 864781915 /nfs/dbraw/zinc/78/19/15/864781915.db2.gz HWEZNZOFXWAHOT-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM O=C(Cc1cnc2ccccc2c1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000439958877 865251843 /nfs/dbraw/zinc/25/18/43/865251843.db2.gz IIEFDKHXJOBGTE-UHFFFAOYSA-N -1 1 403.482 4.184 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)cc1Cl ZINC000440082736 865345621 /nfs/dbraw/zinc/34/56/21/865345621.db2.gz SAICLZHSCAQHSD-UHFFFAOYSA-N -1 1 420.840 4.027 20 0 HIADMM CCc1c([N-]S(=O)(=O)c2ccccc2F)n[nH]c1-c1ccc(Br)cc1 ZINC000440103729 865361357 /nfs/dbraw/zinc/36/13/57/865361357.db2.gz PJDCOINBRHBSLM-UHFFFAOYSA-N -1 1 424.295 4.342 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCC2(C1)CCCCC2 ZINC000440187831 865414275 /nfs/dbraw/zinc/41/42/75/865414275.db2.gz FJOCDGTWTMNFJO-OAQYLSRUSA-N -1 1 406.526 4.333 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000440234479 865469320 /nfs/dbraw/zinc/46/93/20/865469320.db2.gz KJMSZESQRCPENS-JXFKEZNVSA-N -1 1 416.518 4.340 20 0 HIADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000440291902 865543528 /nfs/dbraw/zinc/54/35/28/865543528.db2.gz OZSMWGQDIFGMLK-MRXNPFEDSA-N -1 1 422.912 4.114 20 0 HIADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000440291899 865545291 /nfs/dbraw/zinc/54/52/91/865545291.db2.gz OZSMWGQDIFGMLK-INIZCTEOSA-N -1 1 422.912 4.114 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)CC[C@H]3C)cc2)c1 ZINC000440404105 865695866 /nfs/dbraw/zinc/69/58/66/865695866.db2.gz HGXHXCKSYZYUEL-SJLPKXTDSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)CC[C@H]3C)c2)c1 ZINC000440403719 865695995 /nfs/dbraw/zinc/69/59/95/865695995.db2.gz ACDQIVDRIZEHBX-SJLPKXTDSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)CC[C@H]3C)c2)c1 ZINC000440403715 865697023 /nfs/dbraw/zinc/69/70/23/865697023.db2.gz ACDQIVDRIZEHBX-FUHWJXTLSA-N -1 1 400.544 4.365 20 0 HIADMM O=C(NCCCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000440542728 865811782 /nfs/dbraw/zinc/81/17/82/865811782.db2.gz GAJAQRZOSUJGBU-UHFFFAOYSA-N -1 1 420.840 4.213 20 0 HIADMM Cc1cccc(C)c1Oc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000468129811 881969542 /nfs/dbraw/zinc/96/95/42/881969542.db2.gz COYLCDRYWNKYSG-UHFFFAOYSA-N -1 1 416.437 4.406 20 0 HIADMM CCc1ncsc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000441890618 866953803 /nfs/dbraw/zinc/95/38/03/866953803.db2.gz ONQJIZQMRSEQBG-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ccc(N2CC[NH+]=C2[O-])cc1C ZINC000442229696 867262743 /nfs/dbraw/zinc/26/27/43/867262743.db2.gz BOVNYCHTHZHZJZ-UHFFFAOYSA-N -1 1 419.890 4.033 20 0 HIADMM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442246794 867286737 /nfs/dbraw/zinc/28/67/37/867286737.db2.gz YZAMDBLANINRDR-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CCOc1c(Cl)cc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1OC ZINC000442721639 867648321 /nfs/dbraw/zinc/64/83/21/867648321.db2.gz NKARDOUXIYNWRC-UHFFFAOYSA-N -1 1 400.258 4.045 20 0 HIADMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)cc2O1 ZINC000442832325 867692092 /nfs/dbraw/zinc/69/20/92/867692092.db2.gz AYYJUBSQMKSTTQ-HXUWFJFHSA-N -1 1 400.456 4.348 20 0 HIADMM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1Br ZINC000442847407 867697182 /nfs/dbraw/zinc/69/71/82/867697182.db2.gz LICWQKGCLJQVQU-UHFFFAOYSA-N -1 1 423.288 4.263 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1c(F)cccc1Cl ZINC000442856062 867700458 /nfs/dbraw/zinc/70/04/58/867700458.db2.gz QXQUNOBDONRRIW-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc(Cl)c1[O-] ZINC000442932190 867749910 /nfs/dbraw/zinc/74/99/10/867749910.db2.gz BKURMIFKQFGNGX-CYBMUJFWSA-N -1 1 416.905 4.487 20 0 HIADMM COc1cc(C(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc(Cl)c1[O-] ZINC000442944422 867757848 /nfs/dbraw/zinc/75/78/48/867757848.db2.gz MIHNITISTCTVCS-UHFFFAOYSA-N -1 1 411.907 4.020 20 0 HIADMM COc1cc(C(=O)NCCCCc2nc(-c3cccnc3)cs2)cc(Cl)c1[O-] ZINC000442953737 867762162 /nfs/dbraw/zinc/76/21/62/867762162.db2.gz BRVTVWTWKBPDFW-UHFFFAOYSA-N -1 1 417.918 4.325 20 0 HIADMM COc1cc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc(Cl)c1[O-] ZINC000442976281 867772419 /nfs/dbraw/zinc/77/24/19/867772419.db2.gz SUBJYLQFAALBTE-UHFFFAOYSA-N -1 1 411.285 4.440 20 0 HIADMM COc1cc(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cc(Cl)c1[O-] ZINC000443045073 867800839 /nfs/dbraw/zinc/80/08/39/867800839.db2.gz DCYJIHRFVMSJNT-UHFFFAOYSA-N -1 1 413.648 4.194 20 0 HIADMM COc1cc(C(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc(Cl)c1[O-] ZINC000443056725 867804196 /nfs/dbraw/zinc/80/41/96/867804196.db2.gz ZMPRXOWJCMSISV-SPLOXXLWSA-N -1 1 419.905 4.109 20 0 HIADMM CCOc1cc(-c2nc(-c3ccc(-n4nc(C)cc4C)nc3)no2)cc(Cl)c1[O-] ZINC000443086512 867815037 /nfs/dbraw/zinc/81/50/37/867815037.db2.gz ONAPMJBQRAHBBU-UHFFFAOYSA-N -1 1 411.849 4.359 20 0 HIADMM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1c(Cl)cccc1C(F)(F)F ZINC000443090377 867816579 /nfs/dbraw/zinc/81/65/79/867816579.db2.gz CCHLKNKXTSWHAD-UHFFFAOYSA-N -1 1 402.825 4.361 20 0 HIADMM CCOc1cc(-c2nc(-c3ccc4oc(N(C)C)nc4c3)no2)cc(Cl)c1[O-] ZINC000443197579 867871263 /nfs/dbraw/zinc/87/12/63/867871263.db2.gz XOQSGYGELJRLSU-UHFFFAOYSA-N -1 1 400.822 4.369 20 0 HIADMM COc1cc(-c2nc(Cc3nc(=O)c4c(C)c(C)sc4[nH]3)no2)cc(Cl)c1[O-] ZINC000443207371 867874673 /nfs/dbraw/zinc/87/46/73/867874673.db2.gz ZBMAIKGEINHRGZ-UHFFFAOYSA-N -1 1 418.862 4.022 20 0 HIADMM COc1cc(OC)c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1Br ZINC000443214124 867878628 /nfs/dbraw/zinc/87/86/28/867878628.db2.gz JSZUPZUQCHLABK-UHFFFAOYSA-N -1 1 416.655 4.086 20 0 HIADMM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1c(Cl)cccc1C(F)(F)F ZINC000443236026 867883589 /nfs/dbraw/zinc/88/35/89/867883589.db2.gz MCJUFXDRWOSUBA-OAHLLOKOSA-N -1 1 407.841 4.151 20 0 HIADMM COc1cc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc(Cl)c1[O-] ZINC000443288581 867891744 /nfs/dbraw/zinc/89/17/44/867891744.db2.gz XBZZRXHLPCGMBA-UHFFFAOYSA-N -1 1 422.872 4.294 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1OC ZINC000443399758 867959176 /nfs/dbraw/zinc/95/91/76/867959176.db2.gz OCFVYZAAJDFPGI-UHFFFAOYSA-N -1 1 404.513 4.327 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(NC(=O)C4CC4)cc3)c2)n1 ZINC000443405231 867984393 /nfs/dbraw/zinc/98/43/93/867984393.db2.gz WFQDSFWPJNCTJW-UHFFFAOYSA-N -1 1 413.524 4.268 20 0 HIADMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c(C)cc1C ZINC000443405752 867988053 /nfs/dbraw/zinc/98/80/53/867988053.db2.gz KVZDAZWPCYSKMR-UHFFFAOYSA-N -1 1 416.524 4.323 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000443406088 867988120 /nfs/dbraw/zinc/98/81/20/867988120.db2.gz LMDXEUGSKJTILI-UHFFFAOYSA-N -1 1 421.412 4.303 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)cc1 ZINC000443417042 868000959 /nfs/dbraw/zinc/00/09/59/868000959.db2.gz KFDCXXFKZGGAKM-UHFFFAOYSA-N -1 1 407.797 4.285 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2N[C@@H](C)c2ccccc2)c1 ZINC000443527063 868083959 /nfs/dbraw/zinc/08/39/59/868083959.db2.gz GKVXRDLKEAEQTD-INIZCTEOSA-N -1 1 410.495 4.447 20 0 HIADMM CC1(C)CCC[C@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000443550686 868106520 /nfs/dbraw/zinc/10/65/20/868106520.db2.gz JMNZXKKAHRXLLB-SFHVURJKSA-N -1 1 415.559 4.255 20 0 HIADMM CC[C@]1(C)Oc2ccc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])cc2O1 ZINC000443555716 868111364 /nfs/dbraw/zinc/11/13/64/868111364.db2.gz CUUIFFFVQQAUBB-JOCHJYFZSA-N -1 1 423.425 4.091 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)CCCCC2)no1 ZINC000443713917 868301386 /nfs/dbraw/zinc/30/13/86/868301386.db2.gz XPPRUJRMRKBYQQ-UHFFFAOYSA-N -1 1 423.844 4.188 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc(C)cc(Br)c2)n[nH]c1-c1ccccc1 ZINC000444047895 868587331 /nfs/dbraw/zinc/58/73/31/868587331.db2.gz GYVIGSYFLPTHAJ-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444087749 868610084 /nfs/dbraw/zinc/61/00/84/868610084.db2.gz HYCOOULCJTYUFN-SECBINFHSA-N -1 1 424.147 4.060 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)cc(C)c1F ZINC000444205390 868664935 /nfs/dbraw/zinc/66/49/35/868664935.db2.gz MCRVKKMXUYRZFK-UHFFFAOYSA-N -1 1 402.413 4.121 20 0 HIADMM COc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)ccc1F ZINC000444322636 868751824 /nfs/dbraw/zinc/75/18/24/868751824.db2.gz XLGMIZYRZKDOBY-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM C[C@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)n1cnc2ccccc21 ZINC000444355706 868782783 /nfs/dbraw/zinc/78/27/83/868782783.db2.gz AUYRRNXMTUCUFQ-OAHLLOKOSA-N -1 1 406.486 4.004 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1csc([C@@H]2CCCO2)n1 ZINC000444358109 868785033 /nfs/dbraw/zinc/78/50/33/868785033.db2.gz AFHAIUFHDQLSIW-SFHVURJKSA-N -1 1 415.515 4.015 20 0 HIADMM CC1=NN(c2ccc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)cc2)CC1 ZINC000444358138 868785541 /nfs/dbraw/zinc/78/55/41/868785541.db2.gz AJZAKTKBZCRXEV-UHFFFAOYSA-N -1 1 420.513 4.293 20 0 HIADMM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)s1 ZINC000444383449 868802249 /nfs/dbraw/zinc/80/22/49/868802249.db2.gz RDVWWUINMNUIMX-CYBMUJFWSA-N -1 1 417.531 4.179 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1[O-] ZINC000444390705 868805236 /nfs/dbraw/zinc/80/52/36/868805236.db2.gz HAUOHEXSRDIMAE-IBGZPJMESA-N -1 1 416.568 4.485 20 0 HIADMM COc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000444461187 868837060 /nfs/dbraw/zinc/83/70/60/868837060.db2.gz PRUDLBPSHRIGKD-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000444469503 868841517 /nfs/dbraw/zinc/84/15/17/868841517.db2.gz UADPEPZYHCYZGF-AEFFLSMTSA-N -1 1 410.562 4.454 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC34CCC4)cc2)ccc1F ZINC000444619963 868912590 /nfs/dbraw/zinc/91/25/90/868912590.db2.gz QMUGBJBBMRRLHR-UHFFFAOYSA-N -1 1 402.491 4.094 20 0 HIADMM COc1cc(-c2noc(C[C@H]3CCOc4ccccc43)n2)cc(Br)c1[O-] ZINC000445388501 869473975 /nfs/dbraw/zinc/47/39/75/869473975.db2.gz CPNCTRYLJGOPPV-LLVKDONJSA-N -1 1 417.259 4.322 20 0 HIADMM CC[C@@H](C)n1nc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1C ZINC000445389932 869476077 /nfs/dbraw/zinc/47/60/77/869476077.db2.gz GWPDHAYAYDVYBR-SECBINFHSA-N -1 1 407.268 4.356 20 0 HIADMM COc1cccc([C@@H]2C[C@@H]2c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1 ZINC000445390188 869476121 /nfs/dbraw/zinc/47/61/21/869476121.db2.gz HVJYASJQHMVKMS-KBPBESRZSA-N -1 1 417.259 4.493 20 0 HIADMM COc1cc(-c2noc(-c3cc4ccccc4[nH]c3=O)n2)cc(Br)c1[O-] ZINC000445391912 869477465 /nfs/dbraw/zinc/47/74/65/869477465.db2.gz LRICSVLFUUDRKY-UHFFFAOYSA-N -1 1 414.215 4.134 20 0 HIADMM COc1cc(-c2noc(-c3ccc4ncsc4c3)n2)cc(Br)c1[O-] ZINC000445396177 869481759 /nfs/dbraw/zinc/48/17/59/869481759.db2.gz ZSSABEYEZNVYHS-UHFFFAOYSA-N -1 1 404.245 4.490 20 0 HIADMM COc1ccc(CCc2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1F ZINC000445396537 869481858 /nfs/dbraw/zinc/48/18/58/869481858.db2.gz XJGNPMYBGMMTAF-UHFFFAOYSA-N -1 1 423.238 4.146 20 0 HIADMM COc1cc(-c2noc(-c3cncc(OC(C)C)c3)n2)cc(Br)c1[O-] ZINC000445396973 869482837 /nfs/dbraw/zinc/48/28/37/869482837.db2.gz BFGUSSCNJDQUIG-UHFFFAOYSA-N -1 1 406.236 4.063 20 0 HIADMM COc1cc(-c2noc(-c3ccc4c(n3)CCCC4)n2)cc(Br)c1[O-] ZINC000445397469 869482970 /nfs/dbraw/zinc/48/29/70/869482970.db2.gz IGGSKVMTBXEUGG-UHFFFAOYSA-N -1 1 402.248 4.154 20 0 HIADMM COc1cc(-c2noc(-c3cc4nc(C)ccc4o3)n2)cc(Br)c1[O-] ZINC000445398433 869484667 /nfs/dbraw/zinc/48/46/67/869484667.db2.gz UTDPATOQEOFKLO-UHFFFAOYSA-N -1 1 402.204 4.330 20 0 HIADMM CCOc1cc(-c2noc(-c3cnn(C4CCOCC4)c3C)n2)cc(Cl)c1[O-] ZINC000445403739 869488267 /nfs/dbraw/zinc/48/82/67/869488267.db2.gz TWUHHWZBZHUGAW-UHFFFAOYSA-N -1 1 404.854 4.018 20 0 HIADMM COc1cc(-c2noc(-c3ccc(C(F)(F)F)nc3)n2)cc(Br)c1[O-] ZINC000445405906 869490325 /nfs/dbraw/zinc/49/03/25/869490325.db2.gz UPFWJMUHVXLJRC-UHFFFAOYSA-N -1 1 416.153 4.294 20 0 HIADMM CCOc1cc(-c2noc([C@H]3COc4ccc(OC)cc4C3)n2)cc(Cl)c1[O-] ZINC000445406343 869490527 /nfs/dbraw/zinc/49/05/27/869490527.db2.gz JCBZFLPNXVVOHB-CYBMUJFWSA-N -1 1 402.834 4.222 20 0 HIADMM COc1cc(-c2noc(-c3cccc(-n4cccn4)c3)n2)cc(Br)c1[O-] ZINC000445407262 869492078 /nfs/dbraw/zinc/49/20/78/869492078.db2.gz ZIOYANMHXZKLLG-UHFFFAOYSA-N -1 1 413.231 4.066 20 0 HIADMM CCOc1cc(-c2noc(Cc3cc(F)cc4c3OCOC4)n2)cc(Cl)c1[O-] ZINC000445408798 869492235 /nfs/dbraw/zinc/49/22/35/869492235.db2.gz MOGUJLAOMJNFAL-UHFFFAOYSA-N -1 1 406.797 4.091 20 0 HIADMM CCOc1cc(-c2noc(CCc3cnn(-c4ccccc4)c3)n2)cc(Cl)c1[O-] ZINC000445411643 869494541 /nfs/dbraw/zinc/49/45/41/869494541.db2.gz KBTKUJVCNKADCT-UHFFFAOYSA-N -1 1 410.861 4.465 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CCN(c4ccc(F)cc4)C3=O)n2)cc(Cl)c1[O-] ZINC000445413718 869495455 /nfs/dbraw/zinc/49/54/55/869495455.db2.gz SKZHUEFIAJZART-CQSZACIVSA-N -1 1 417.824 4.154 20 0 HIADMM CCOc1cc(-c2noc(-c3nnn(-c4ccc(C)cc4)c3C)n2)cc(Cl)c1[O-] ZINC000445412638 869495739 /nfs/dbraw/zinc/49/57/39/869495739.db2.gz OFWDNVKVOOMUGA-UHFFFAOYSA-N -1 1 411.849 4.359 20 0 HIADMM CCOc1cc(-c2noc(CCCOc3ccc4c(c3)OCO4)n2)cc(Cl)c1[O-] ZINC000445413968 869495847 /nfs/dbraw/zinc/49/58/47/869495847.db2.gz WOZAJEMWKZNWAV-UHFFFAOYSA-N -1 1 418.833 4.235 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc(Cl)c1[O-] ZINC000445430501 869514112 /nfs/dbraw/zinc/51/41/12/869514112.db2.gz HXAMAXSKJXONOH-HNNXBMFYSA-N -1 1 413.861 4.010 20 0 HIADMM C[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)N1CCN(c2ccc(F)cc2)CC1 ZINC000445442912 869525139 /nfs/dbraw/zinc/52/51/39/869525139.db2.gz DWZJOWDGTOJNSC-CYBMUJFWSA-N -1 1 402.857 4.118 20 0 HIADMM [O-]c1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)c(F)c1 ZINC000445455020 869533379 /nfs/dbraw/zinc/53/33/79/869533379.db2.gz IQIOAVQACWXBPB-UHFFFAOYSA-N -1 1 423.473 4.391 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)C2(c3nc(-c4ccc([O-])cc4F)no3)CCCC2)c1 ZINC000445460452 869537297 /nfs/dbraw/zinc/53/72/97/869537297.db2.gz AQLGVJXJCKIASK-UHFFFAOYSA-N -1 1 416.474 4.441 20 0 HIADMM [O-]c1ccc(-c2noc(-c3ncc(Br)cc3Br)n2)c(F)c1 ZINC000445463343 869539300 /nfs/dbraw/zinc/53/93/00/869539300.db2.gz PGUUYXYOSJADHW-UHFFFAOYSA-N -1 1 415.016 4.168 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc([C@@H]4CCCOC4)no3)cc2)cc1C ZINC000445519016 869579409 /nfs/dbraw/zinc/57/94/09/869579409.db2.gz NNNOMNYXDIXGDK-QGZVFWFLSA-N -1 1 413.499 4.048 20 0 HIADMM COC[C@@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000445650469 869720132 /nfs/dbraw/zinc/72/01/32/869720132.db2.gz SFTGDMHVQQPTMH-ZDUSSCGKSA-N -1 1 410.923 4.060 20 0 HIADMM CCSCCCc1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000445759662 869805190 /nfs/dbraw/zinc/80/51/90/869805190.db2.gz SZRPUPKRKIGQQQ-UHFFFAOYSA-N -1 1 421.519 4.362 20 0 HIADMM Cc1cc(-c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3O)n2)c(C)o1 ZINC000445860372 869861323 /nfs/dbraw/zinc/86/13/23/869861323.db2.gz ZPLFLXSYNWQCNM-UHFFFAOYSA-N -1 1 417.468 4.181 20 0 HIADMM CC(C)[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000446517026 870435051 /nfs/dbraw/zinc/43/50/51/870435051.db2.gz BXTJLZLACLQUQK-OAHLLOKOSA-N -1 1 424.925 4.398 20 0 HIADMM C[C@@]1(c2ccccc2)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000446693375 870610185 /nfs/dbraw/zinc/61/01/85/870610185.db2.gz NEFLUAFPFDJMPL-XMMPIXPASA-N -1 1 420.534 4.291 20 0 HIADMM COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000447117387 871021542 /nfs/dbraw/zinc/02/15/42/871021542.db2.gz SFRBQOGDIHTEMT-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000447343788 871244947 /nfs/dbraw/zinc/24/49/47/871244947.db2.gz PKDTZMLRYOIFCR-UHFFFAOYSA-N -1 1 403.891 4.435 20 0 HIADMM O=C(Nc1ccc2cc[nH]c2c1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000447644470 871566591 /nfs/dbraw/zinc/56/65/91/871566591.db2.gz WXIGUFLHHZLKFM-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM CCOc1cc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc(Cl)c1[O-] ZINC000447718764 871661655 /nfs/dbraw/zinc/66/16/55/871661655.db2.gz YOTQPIBFEKETCP-UHFFFAOYSA-N -1 1 405.853 4.319 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)ccc1C(F)(F)F ZINC000447782381 871713783 /nfs/dbraw/zinc/71/37/83/871713783.db2.gz YNUHWNGWVPTANC-UHFFFAOYSA-N -1 1 400.353 4.202 20 0 HIADMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447783733 871715148 /nfs/dbraw/zinc/71/51/48/871715148.db2.gz UKYWYVBPEKUSKY-UHFFFAOYSA-N -1 1 410.211 4.299 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000448113089 871963468 /nfs/dbraw/zinc/96/34/68/871963468.db2.gz IJCULKSKFOZZJM-UHFFFAOYSA-N -1 1 400.422 4.165 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1 ZINC000448132958 872006079 /nfs/dbraw/zinc/00/60/79/872006079.db2.gz SBGZJRLAMMATKA-UHFFFAOYSA-N -1 1 404.713 4.092 20 0 HIADMM CC(C)n1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cn1 ZINC000468547443 882588676 /nfs/dbraw/zinc/58/86/76/882588676.db2.gz IQJJCJXRKVMACN-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM COc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000460130287 872612130 /nfs/dbraw/zinc/61/21/30/872612130.db2.gz VEHKHRBPYFOPJA-RHSMWYFYSA-N -1 1 400.233 4.107 20 0 HIADMM COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc(Cl)c1[O-] ZINC000460186941 872752447 /nfs/dbraw/zinc/75/24/47/872752447.db2.gz DCKMZLBWISUXKK-UHFFFAOYSA-N -1 1 409.269 4.196 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)cc(Cl)c1[O-] ZINC000460190348 872758053 /nfs/dbraw/zinc/75/80/53/872758053.db2.gz YPYDCGKNVGPWAL-JTQLQIEISA-N -1 1 403.784 4.270 20 0 HIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)N2CCc3ccccc3C2)nc1-c1ccccc1 ZINC000460422606 873083599 /nfs/dbraw/zinc/08/35/99/873083599.db2.gz FKNHVWANQAXPOD-INIZCTEOSA-N -1 1 405.523 4.223 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)cc1 ZINC000460457806 873137053 /nfs/dbraw/zinc/13/70/53/873137053.db2.gz XSPUMFOEHPCQPG-UHFFFAOYSA-N -1 1 405.422 4.487 20 0 HIADMM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCN(Cc4ccccc4)CC3)n2)cc1 ZINC000468605449 882706214 /nfs/dbraw/zinc/70/62/14/882706214.db2.gz BLGJHHCNFDYWKJ-UHFFFAOYSA-N -1 1 418.541 4.049 20 0 HIADMM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)cc1 ZINC000460582574 873319164 /nfs/dbraw/zinc/31/91/64/873319164.db2.gz CUUJSZLWZNFMAX-DWQUBVKVSA-N -1 1 424.950 4.137 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@@H]1Cc2ccccc21 ZINC000460838458 873727398 /nfs/dbraw/zinc/72/73/98/873727398.db2.gz GHWIAVRXPXTZAS-HXUWFJFHSA-N -1 1 412.898 4.419 20 0 HIADMM Cc1ccncc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000460838799 873727744 /nfs/dbraw/zinc/72/77/44/873727744.db2.gz KFXSXTIYYQTWPT-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccncc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000460839289 873729182 /nfs/dbraw/zinc/72/91/82/873729182.db2.gz IQYCQWLBEPMDBA-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H](C)CC(F)(F)F ZINC000468633537 882764049 /nfs/dbraw/zinc/76/40/49/882764049.db2.gz VLMGZSVNQBUNOE-LBPRGKRZSA-N -1 1 418.412 4.006 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC4(CCC4)[C@@H]3C3CC3)c2)c1 ZINC000461194916 874192835 /nfs/dbraw/zinc/19/28/35/874192835.db2.gz MULUNMSVCXPQIP-NRFANRHFSA-N -1 1 410.539 4.201 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000461341298 874350496 /nfs/dbraw/zinc/35/04/96/874350496.db2.gz UODSKTOALMBFKZ-MISYRCLQSA-N -1 1 412.555 4.494 20 0 HIADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000461340987 874351158 /nfs/dbraw/zinc/35/11/58/874351158.db2.gz SMXHXHWYZZWZKZ-WRWLIDTKSA-N -1 1 416.518 4.325 20 0 HIADMM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461346062 874354196 /nfs/dbraw/zinc/35/41/96/874354196.db2.gz GFFRYRLDDNBLGD-UHFFFAOYSA-N -1 1 416.240 4.339 20 0 HIADMM Cc1ccc(CC[C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000461394511 874403522 /nfs/dbraw/zinc/40/35/22/874403522.db2.gz LFTUAWCWUDKZBC-INIZCTEOSA-N -1 1 412.511 4.140 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3CCC3)c2)cc1 ZINC000461410451 874424826 /nfs/dbraw/zinc/42/48/26/874424826.db2.gz XLZCYYKPVUTDBF-UHFFFAOYSA-N -1 1 400.544 4.455 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C(C)C)CC2)cc1 ZINC000461424578 874455285 /nfs/dbraw/zinc/45/52/85/874455285.db2.gz LZGOVUQCQMSVCT-UHFFFAOYSA-N -1 1 400.544 4.304 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)c(C(F)(F)F)c1 ZINC000468780233 882856240 /nfs/dbraw/zinc/85/62/40/882856240.db2.gz CAAKDPKOPYSIEI-UHFFFAOYSA-N -1 1 404.385 4.053 20 0 HIADMM CCC1(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCCCC1 ZINC000461649637 874806464 /nfs/dbraw/zinc/80/64/64/874806464.db2.gz GAQXWSCZTUQVSW-UHFFFAOYSA-N -1 1 400.544 4.464 20 0 HIADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000462313950 875434542 /nfs/dbraw/zinc/43/45/42/875434542.db2.gz MKVLFIIZKCKUBG-ZDUSSCGKSA-N -1 1 411.829 4.180 20 0 HIADMM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000462599364 875714726 /nfs/dbraw/zinc/71/47/26/875714726.db2.gz QOEXZCVHMKWEQW-SNVBAGLBSA-N -1 1 424.733 4.401 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000462667981 875767786 /nfs/dbraw/zinc/76/77/86/875767786.db2.gz JJOCAPIHEANPDD-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM CC[C@@H](C)c1ccc([C@H]([N-]S(=O)(=O)c2scnc2C(=O)OC)C(C)C)cc1 ZINC000462709505 875792724 /nfs/dbraw/zinc/79/27/24/875792724.db2.gz UMTIZRUZWVRZSA-CZUORRHYSA-N -1 1 410.561 4.119 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC)CC(C)(C)C)c2)cc1 ZINC000462987233 876002144 /nfs/dbraw/zinc/00/21/44/876002144.db2.gz MJEHCOHDJNNKIP-UHFFFAOYSA-N -1 1 418.559 4.394 20 0 HIADMM O=C(CCC(F)(F)F)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000463239248 876295304 /nfs/dbraw/zinc/29/53/04/876295304.db2.gz VFUZFLSUTATTBT-UHFFFAOYSA-N -1 1 406.813 4.422 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c[nH]nc1-c1ccccc1 ZINC000463388742 876445566 /nfs/dbraw/zinc/44/55/66/876445566.db2.gz JOFHVBBTOBKIAM-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)C(F)(F)F)ccc2C)c1 ZINC000463456356 876517758 /nfs/dbraw/zinc/51/77/58/876517758.db2.gz ZNXVIGVWNKNPAZ-CYBMUJFWSA-N -1 1 400.422 4.241 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)c(C)c2)cc1Cl ZINC000463527768 876601425 /nfs/dbraw/zinc/60/14/25/876601425.db2.gz MEGQMEVMLYRAPH-UHFFFAOYSA-N -1 1 412.964 4.309 20 0 HIADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1Cl ZINC000464182551 877353816 /nfs/dbraw/zinc/35/38/16/877353816.db2.gz FFARPGZALZLLKZ-UHFFFAOYSA-N -1 1 412.216 4.173 20 0 HIADMM C[C@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000464265763 877447652 /nfs/dbraw/zinc/44/76/52/877447652.db2.gz ZICXXTILEZVQLO-LLVKDONJSA-N -1 1 420.840 4.212 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)CC(F)(F)F)c2)cc1F ZINC000464281497 877469199 /nfs/dbraw/zinc/46/91/99/877469199.db2.gz ZDXHCVMCQKOKJW-LBPRGKRZSA-N -1 1 418.412 4.006 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCCCC4)cc2)c1 ZINC000464427901 877638753 /nfs/dbraw/zinc/63/87/53/877638753.db2.gz MGJUEGQJFQCIQD-UHFFFAOYSA-N -1 1 410.543 4.013 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000464513417 877736789 /nfs/dbraw/zinc/73/67/89/877736789.db2.gz ADMVQSIRWMRETJ-VGSWGCGISA-N -1 1 406.507 4.321 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000464698510 877914741 /nfs/dbraw/zinc/91/47/41/877914741.db2.gz ZQNIRPPCLHDLAQ-QGZVFWFLSA-N -1 1 420.600 4.366 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000464699433 877916548 /nfs/dbraw/zinc/91/65/48/877916548.db2.gz MQAQTDBLCIKQFX-MRXNPFEDSA-N -1 1 406.573 4.057 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000464708082 877930867 /nfs/dbraw/zinc/93/08/67/877930867.db2.gz KQDVKBKDHCOAIY-OAHLLOKOSA-N -1 1 424.563 4.196 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000464708260 877930953 /nfs/dbraw/zinc/93/09/53/877930953.db2.gz RHFMRTOGPAZEQY-QGZVFWFLSA-N -1 1 420.600 4.366 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1C ZINC000464836165 878099626 /nfs/dbraw/zinc/09/96/26/878099626.db2.gz JGKXHOYQXAMLCO-UHFFFAOYSA-N -1 1 401.406 4.077 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000464931466 878258026 /nfs/dbraw/zinc/25/80/26/878258026.db2.gz KJCYEVYUZYHIIU-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccncc1Cl ZINC000465027467 878391305 /nfs/dbraw/zinc/39/13/05/878391305.db2.gz FECIJENSMVQOMD-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000465296168 878736187 /nfs/dbraw/zinc/73/61/87/878736187.db2.gz ROQGZUOCJBENRJ-JXFKEZNVSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000465298232 878740497 /nfs/dbraw/zinc/74/04/97/878740497.db2.gz ZAOWDQJHHCERHE-IFXJQAMLSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](CC(C)C)C3)c2)c1 ZINC000465304174 878749590 /nfs/dbraw/zinc/74/95/90/878749590.db2.gz JBOPFQYFRKKICB-GOSISDBHSA-N -1 1 400.544 4.304 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000465388645 878828539 /nfs/dbraw/zinc/82/85/39/878828539.db2.gz NXLZFAHYDRDQMF-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM CC[C@@H](C)C[C@@H](C)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000465828513 879461447 /nfs/dbraw/zinc/46/14/47/879461447.db2.gz BIWPZXDAKCUHRE-IAGOWNOFSA-N -1 1 403.548 4.111 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc4nc(C5CC5)oc4c3)cc2F)c1 ZINC000466260450 879988227 /nfs/dbraw/zinc/98/82/27/879988227.db2.gz BTHHAZGXYHKXBH-UHFFFAOYSA-N -1 1 412.446 4.139 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(Cc3ccccc3)oc2c1)c1ccc2c(c1)COC2 ZINC000466282867 880023542 /nfs/dbraw/zinc/02/35/42/880023542.db2.gz JXQUOZFVJOVOKC-UHFFFAOYSA-N -1 1 406.463 4.250 20 0 HIADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000466476728 880258097 /nfs/dbraw/zinc/25/80/97/880258097.db2.gz YZUQCQABEQBGCI-UHFFFAOYSA-N -1 1 403.500 4.236 20 0 HIADMM O=C(N[C@H]1CCCc2sccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466502293 880276470 /nfs/dbraw/zinc/27/64/70/880276470.db2.gz IBDXTZRVMWMAHJ-IBGZPJMESA-N -1 1 412.536 4.356 20 0 HIADMM O=C([N-]c1cc(Cl)c(Cl)cc1F)c1sccc1S(=O)(=O)N1CCCC1 ZINC000466569924 880346283 /nfs/dbraw/zinc/34/62/83/880346283.db2.gz LFHPRAMWFNQLPK-UHFFFAOYSA-N -1 1 423.318 4.231 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1nc(C(F)(F)F)cs1 ZINC000466857093 880625699 /nfs/dbraw/zinc/62/56/99/880625699.db2.gz UJJIKLKKIVMRDF-SECBINFHSA-N -1 1 404.357 4.009 20 0 HIADMM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(Cl)sc3Cl)co2)cc1 ZINC000466918632 880686244 /nfs/dbraw/zinc/68/62/44/880686244.db2.gz OODOXMTXFPAZFZ-UHFFFAOYSA-N -1 1 403.312 4.497 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)ccc1C ZINC000467072675 880850919 /nfs/dbraw/zinc/85/09/19/880850919.db2.gz CEQNJMWTOVSBRT-UHFFFAOYSA-N -1 1 402.497 4.070 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2SCCC(N)=O)cc1 ZINC000467082790 880853939 /nfs/dbraw/zinc/85/39/39/880853939.db2.gz URVSHMDGPUYQIE-UHFFFAOYSA-N -1 1 406.573 4.143 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)Nc2nc3c(s2)CCCC3)nc1-c1ccccc1 ZINC000467203581 880932915 /nfs/dbraw/zinc/93/29/15/880932915.db2.gz BFIQZGQXSVFAOG-UHFFFAOYSA-N -1 1 412.540 4.224 20 0 HIADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000467399474 881181690 /nfs/dbraw/zinc/18/16/90/881181690.db2.gz FTEGGSTWPJFTMG-UHFFFAOYSA-N -1 1 419.890 4.071 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2ccccc2Br)c(=O)[n-]1 ZINC000503629846 912730915 /nfs/dbraw/zinc/73/09/15/912730915.db2.gz BYDGPIDAOFTETI-LBPRGKRZSA-N -1 1 424.364 4.127 20 0 HIADMM C[C@H]1CCC[C@H]1CC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000469508353 883760150 /nfs/dbraw/zinc/76/01/50/883760150.db2.gz KDLIMEFYSLVFOB-HKUYNNGSSA-N -1 1 400.544 4.272 20 0 HIADMM CC[C@H]1CN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC000470205718 884522465 /nfs/dbraw/zinc/52/24/65/884522465.db2.gz FJWRSNCNCHYXNY-RXVVDRJESA-N -1 1 416.525 4.137 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(-c2nnc[nH]2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000470236665 884563902 /nfs/dbraw/zinc/56/39/02/884563902.db2.gz ILFSESBBVQTDKE-UHFFFAOYSA-N -1 1 420.775 4.084 20 0 HIADMM CCCc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000503910787 912862040 /nfs/dbraw/zinc/86/20/40/912862040.db2.gz OOSWAFYRTBEVMS-UHFFFAOYSA-N -1 1 419.503 4.288 20 0 HIADMM C[C@@H](CCC1CC1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000470573678 884989847 /nfs/dbraw/zinc/98/98/47/884989847.db2.gz HTSPWUPEWPUTRW-ZDUSSCGKSA-N -1 1 408.470 4.074 20 0 HIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1csc(-c2cnccn2)n1 ZINC000470634832 885060567 /nfs/dbraw/zinc/06/05/67/885060567.db2.gz HZQZALMATJKBRN-UHFFFAOYSA-N -1 1 418.866 4.163 20 0 HIADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC000471113558 885647818 /nfs/dbraw/zinc/64/78/18/885647818.db2.gz BFILWUOLIIDYJP-UHFFFAOYSA-N -1 1 407.538 4.010 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(OC(F)F)c3)ccc2N1 ZINC000504054827 912959978 /nfs/dbraw/zinc/95/99/78/912959978.db2.gz BOBMUMSBAAIOPB-UHFFFAOYSA-N -1 1 416.833 4.017 20 0 HIADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cn1 ZINC000471134620 885675087 /nfs/dbraw/zinc/67/50/87/885675087.db2.gz VFTNGYQIFOBETI-AWEZNQCLSA-N -1 1 415.902 4.027 20 0 HIADMM COCCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCC1 ZINC000471173249 885731853 /nfs/dbraw/zinc/73/18/53/885731853.db2.gz PNDMSDNUKJSSMZ-UHFFFAOYSA-N -1 1 422.934 4.286 20 0 HIADMM C[C@H](COc1ccccc1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000471233941 885807897 /nfs/dbraw/zinc/80/78/97/885807897.db2.gz GOLJOHBFSIBOLE-QGZVFWFLSA-N -1 1 410.495 4.141 20 0 HIADMM COc1cccc(-c2nc(C(=O)[N-]c3nc(-c4cc(C)ccc4OC)cs3)no2)c1 ZINC000471283731 885865280 /nfs/dbraw/zinc/86/52/80/885865280.db2.gz UNVNMKAXFPYPEA-UHFFFAOYSA-N -1 1 422.466 4.438 20 0 HIADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000504091343 913002377 /nfs/dbraw/zinc/00/23/77/913002377.db2.gz KIPPIVHBKJLCIW-UHFFFAOYSA-N -1 1 401.423 4.254 20 0 HIADMM CCC1(CC)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000504101876 913011798 /nfs/dbraw/zinc/01/17/98/913011798.db2.gz CVIFIHFIQNJQOA-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCCCc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000471607459 886322701 /nfs/dbraw/zinc/32/27/01/886322701.db2.gz UIVOBEYIIDAMCK-UHFFFAOYSA-N -1 1 414.358 4.201 20 0 HIADMM Cn1ccc2cccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)c21 ZINC000471694883 886401492 /nfs/dbraw/zinc/40/14/92/886401492.db2.gz ANYFTJKCLPMEEY-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM Cc1ccc(C(=O)Nc2cccc(F)c2F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471777020 886507557 /nfs/dbraw/zinc/50/75/57/886507557.db2.gz ZONMFQBDMAUYJJ-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471947344 886752227 /nfs/dbraw/zinc/75/22/27/886752227.db2.gz RPIZWFKUJSEDBO-ROUUACIJSA-N -1 1 416.518 4.197 20 0 HIADMM COc1cc(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1[N-]S(C)(=O)=O ZINC000472028690 886851069 /nfs/dbraw/zinc/85/10/69/886851069.db2.gz IAXQYFFMEKMKBW-JTQLQIEISA-N -1 1 417.314 4.116 20 0 HIADMM COc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000472038655 886856827 /nfs/dbraw/zinc/85/68/27/886856827.db2.gz RBNZDPSBLSLKHX-HXUWFJFHSA-N -1 1 420.513 4.007 20 0 HIADMM Cc1cnccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000472239201 887047722 /nfs/dbraw/zinc/04/77/22/887047722.db2.gz LCPWSYIHJHPOIG-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC4(CCC4)C3)cc2)ccc1F ZINC000473330550 888068030 /nfs/dbraw/zinc/06/80/30/888068030.db2.gz KLMOYGRFLFXOIS-UHFFFAOYSA-N -1 1 416.518 4.341 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)OCC)ccc2C)c1C ZINC000473413511 888131942 /nfs/dbraw/zinc/13/19/42/888131942.db2.gz RVVIZUNMDYSYAN-UHFFFAOYSA-N -1 1 418.515 4.020 20 0 HIADMM COc1csc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000473477830 888201061 /nfs/dbraw/zinc/20/10/61/888201061.db2.gz AXFLORMHFJPWQD-UHFFFAOYSA-N -1 1 402.497 4.118 20 0 HIADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H](C)c1ccccc1 ZINC000473561728 888300732 /nfs/dbraw/zinc/30/07/32/888300732.db2.gz OVBJVLPOFWETEY-QZTJIDSGSA-N -1 1 408.523 4.409 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc2cc[nH]c2c1 ZINC000473568902 888310163 /nfs/dbraw/zinc/31/01/63/888310163.db2.gz KIABXJILRSGULT-UHFFFAOYSA-N -1 1 423.469 4.384 20 0 HIADMM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1ccc(Cl)c(F)c1Cl ZINC000473915958 888796819 /nfs/dbraw/zinc/79/68/19/888796819.db2.gz XWCDTLJKPZJASZ-UHFFFAOYSA-N -1 1 401.246 4.266 20 0 HIADMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000474073656 888899653 /nfs/dbraw/zinc/89/96/53/888899653.db2.gz INSLQPGZPHSBMX-UONOGXRCSA-N -1 1 420.918 4.085 20 0 HIADMM O=S(=O)([N-]c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000504506755 913296907 /nfs/dbraw/zinc/29/69/07/913296907.db2.gz DKTZCRANVABKFQ-UHFFFAOYSA-N -1 1 409.311 4.401 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000474184750 889023232 /nfs/dbraw/zinc/02/32/32/889023232.db2.gz RLHIPKDQZCPDAW-UHFFFAOYSA-N -1 1 418.412 4.177 20 0 HIADMM COc1ccc(Br)c(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c1 ZINC000474406747 889273301 /nfs/dbraw/zinc/27/33/01/889273301.db2.gz AFBZYPIRORTTEV-UHFFFAOYSA-N -1 1 414.325 4.029 20 0 HIADMM COc1ccc2[nH]cc(C3=CCN(C(=O)c4c(C)nc(C(C)(C)C)[n-]c4=O)CC3)c2c1 ZINC000474477575 889338864 /nfs/dbraw/zinc/33/88/64/889338864.db2.gz SFDVDKKKZJPBCL-UHFFFAOYSA-N -1 1 420.513 4.208 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1COCc1ccccc1 ZINC000474490209 889349532 /nfs/dbraw/zinc/34/95/32/889349532.db2.gz CEWSYEUKQLSRGD-UHFFFAOYSA-N -1 1 419.525 4.435 20 0 HIADMM Cc1ccc(F)cc1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474537581 889412827 /nfs/dbraw/zinc/41/28/27/889412827.db2.gz NMAWRACXAMSJBA-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000474586652 889456165 /nfs/dbraw/zinc/45/61/65/889456165.db2.gz WBLKXKMMTLTCHP-LLVKDONJSA-N -1 1 400.529 4.135 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000474830125 889688557 /nfs/dbraw/zinc/68/85/57/889688557.db2.gz MGOIFUIBABZJKU-UHFFFAOYSA-N -1 1 410.518 4.103 20 0 HIADMM CC(C)(C)OCc1cc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)no1 ZINC000474905646 889766470 /nfs/dbraw/zinc/76/64/70/889766470.db2.gz HRXTYDGEUOFBHA-UHFFFAOYSA-N -1 1 410.261 4.334 20 0 HIADMM COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2ccc([O-])c(Cl)c2)cc1OC ZINC000474930490 889789336 /nfs/dbraw/zinc/78/93/36/889789336.db2.gz FRWNAUOJLFTZLG-LJQANCHMSA-N -1 1 402.878 4.011 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C)CCC(C)CC3)c2)cc1 ZINC000504690177 913428255 /nfs/dbraw/zinc/42/82/55/913428255.db2.gz MWGNMSWPBLAAIJ-UHFFFAOYSA-N -1 1 416.543 4.195 20 0 HIADMM CCCN(CC(C)C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475324714 890244369 /nfs/dbraw/zinc/24/43/69/890244369.db2.gz NOUXGCBRAJCXPS-UHFFFAOYSA-N -1 1 421.538 4.204 20 0 HIADMM C[C@H](Sc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1)C(=O)[O-] ZINC000504701946 913433802 /nfs/dbraw/zinc/43/38/02/913433802.db2.gz CLTXLZBPETTYLC-QMMMGPOBSA-N -1 1 424.302 4.499 20 0 HIADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000475646607 890590222 /nfs/dbraw/zinc/59/02/22/890590222.db2.gz KJQTWSOAXDCMEA-RTBURBONSA-N -1 1 418.584 4.234 20 0 HIADMM O=C(N[C@@H]1CCCOc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000504730900 913468054 /nfs/dbraw/zinc/46/80/54/913468054.db2.gz DMJBLXMZVRBRLU-OAQYLSRUSA-N -1 1 422.506 4.131 20 0 HIADMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cccc(COC)c3)ccc2s1 ZINC000475807809 890742881 /nfs/dbraw/zinc/74/28/81/890742881.db2.gz JNKANKUKVDQQAY-UHFFFAOYSA-N -1 1 405.497 4.025 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(NC(=O)N(C)C)c1C ZINC000475832367 890766435 /nfs/dbraw/zinc/76/64/35/890766435.db2.gz JNJNFTFZQPHQAG-UHFFFAOYSA-N -1 1 415.437 4.217 20 0 HIADMM Cc1ccc(NC(=O)c2c(F)ccc(F)c2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000476002059 890928460 /nfs/dbraw/zinc/92/84/60/890928460.db2.gz VBSXDQPWHHHGOM-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1ccc(NC(=O)c2n[nH]c3c2CCCCC3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000476049694 890980836 /nfs/dbraw/zinc/98/08/36/890980836.db2.gz LSCFYBHOIXQBDX-UHFFFAOYSA-N -1 1 424.526 4.040 20 0 HIADMM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000476169698 891097945 /nfs/dbraw/zinc/09/79/45/891097945.db2.gz WEGZULVWZKXJEB-QZTJIDSGSA-N -1 1 418.559 4.155 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000476173905 891103409 /nfs/dbraw/zinc/10/34/09/891103409.db2.gz VWXSTIWCVVZBKR-OAQYLSRUSA-N -1 1 420.534 4.426 20 0 HIADMM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476176727 891106185 /nfs/dbraw/zinc/10/61/85/891106185.db2.gz VJIOXHGDMCYHGD-UHFFFAOYSA-N -1 1 403.360 4.035 20 0 HIADMM Cc1nc(C(=O)[N-]c2nnc(CC(C)C)s2)nn1-c1c(Cl)cccc1Cl ZINC000476181100 891113473 /nfs/dbraw/zinc/11/34/73/891113473.db2.gz ZJTJNYCYMXFZHC-UHFFFAOYSA-N -1 1 411.318 4.185 20 0 HIADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)[nH]n1 ZINC000476186449 891117706 /nfs/dbraw/zinc/11/77/06/891117706.db2.gz FAQUXEUGUOJTGZ-UHFFFAOYSA-N -1 1 413.124 4.403 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(NC(=O)NC2CC2)cc1 ZINC000476290437 891206993 /nfs/dbraw/zinc/20/69/93/891206993.db2.gz TYORHSQAPHGYLE-UHFFFAOYSA-N -1 1 413.421 4.099 20 0 HIADMM CC(C)c1cccnc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000504816510 913534719 /nfs/dbraw/zinc/53/47/19/913534719.db2.gz CBVNNTQEQFGBCL-UHFFFAOYSA-N -1 1 413.474 4.397 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)cc1C ZINC000476381371 891296714 /nfs/dbraw/zinc/29/67/14/891296714.db2.gz WXHSTPJQJHTFIH-UHFFFAOYSA-N -1 1 417.462 4.179 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3-c3cc(F)c(F)c(F)c3)cc2o1 ZINC000476426373 891339771 /nfs/dbraw/zinc/33/97/71/891339771.db2.gz VZFHSWDGLMBHMJ-UHFFFAOYSA-N -1 1 420.368 4.419 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000476427967 891340462 /nfs/dbraw/zinc/34/04/62/891340462.db2.gz DGHGOGQZGNQXLL-RUZDIDTESA-N -1 1 405.463 4.002 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)cc1O ZINC000476436601 891348214 /nfs/dbraw/zinc/34/82/14/891348214.db2.gz OTCRHZZYTAUQNJ-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c2ccccc12 ZINC000476537872 891449231 /nfs/dbraw/zinc/44/92/31/891449231.db2.gz ONZJBXHDXVXYQR-UHFFFAOYSA-N -1 1 406.410 4.200 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@@H](C)[C@@H]3C)c2)cc1 ZINC000476571640 891491462 /nfs/dbraw/zinc/49/14/62/891491462.db2.gz KKYGKMZSLPIBJY-ZACQAIPSSA-N -1 1 416.543 4.003 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@H](C)[C@H]3C)c2)cc1 ZINC000476571637 891491492 /nfs/dbraw/zinc/49/14/92/891491492.db2.gz KKYGKMZSLPIBJY-IXDOHACOSA-N -1 1 416.543 4.003 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)cc1 ZINC000476578595 891502528 /nfs/dbraw/zinc/50/25/28/891502528.db2.gz ZBMVUHRFMLACNU-KBAYOESNSA-N -1 1 400.544 4.302 20 0 HIADMM CN(Cc1ccn(C2CCCC2)n1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000477134348 892060879 /nfs/dbraw/zinc/06/08/79/892060879.db2.gz HCTKAOOCBIGDRN-UHFFFAOYSA-N -1 1 424.570 4.431 20 0 HIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)ccc2C)n1 ZINC000477467846 892441802 /nfs/dbraw/zinc/44/18/02/892441802.db2.gz KBJKYTNWAMJADZ-UHFFFAOYSA-N -1 1 419.462 4.478 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3cnccc3C)c2)c1 ZINC000477901650 892971243 /nfs/dbraw/zinc/97/12/43/892971243.db2.gz ZYIYEXJEBKNOJN-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)[C@@H]1CCC(C)(C)C1 ZINC000478198355 893359877 /nfs/dbraw/zinc/35/98/77/893359877.db2.gz RHNWRZWUPDONMS-GOSISDBHSA-N -1 1 404.507 4.277 20 0 HIADMM CCN(CC1CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000478274210 893471425 /nfs/dbraw/zinc/47/14/25/893471425.db2.gz BUYIKMKSFFFDMR-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC)CC3CCC3)c2)cc1 ZINC000478277264 893479304 /nfs/dbraw/zinc/47/93/04/893479304.db2.gz HKBRUNZVSQJWOA-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@@H](C)c1ncc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cn1 ZINC000478321263 893549867 /nfs/dbraw/zinc/54/98/67/893549867.db2.gz VMUPVULQNVFMEV-OAHLLOKOSA-N -1 1 410.499 4.043 20 0 HIADMM Cc1cccc(C)c1OCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478338513 893577895 /nfs/dbraw/zinc/57/78/95/893577895.db2.gz JWAOQVZKPWIKGW-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nc(Cc2ccccc2)no1 ZINC000505051293 913792678 /nfs/dbraw/zinc/79/26/78/913792678.db2.gz PNOCBTFSXTZSSG-LLVKDONJSA-N -1 1 412.298 4.007 20 0 HIADMM CC[C@H](C)n1ncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000478580977 893858715 /nfs/dbraw/zinc/85/87/15/893858715.db2.gz NAPIHDNFHHAWPD-HNNXBMFYSA-N -1 1 412.515 4.216 20 0 HIADMM CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c2C1 ZINC000478605083 893870459 /nfs/dbraw/zinc/87/04/59/893870459.db2.gz YYQAOVZPYAOGDN-JKSUJKDBSA-N -1 1 420.561 4.165 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1NC(=O)N(C)C ZINC000478671452 893921205 /nfs/dbraw/zinc/92/12/05/893921205.db2.gz AVTUHGDDGRQOMA-UHFFFAOYSA-N -1 1 402.303 4.196 20 0 HIADMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1F ZINC000478702317 893965373 /nfs/dbraw/zinc/96/53/73/893965373.db2.gz KQNAANLNHFORLN-UHFFFAOYSA-N -1 1 417.842 4.420 20 0 HIADMM Cc1cccc(OCCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000479047898 894309141 /nfs/dbraw/zinc/30/91/41/894309141.db2.gz LYDYELDYDIFVIX-UHFFFAOYSA-N -1 1 410.495 4.203 20 0 HIADMM CSCCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000479059234 894317436 /nfs/dbraw/zinc/31/74/36/894317436.db2.gz SVRCXUIFADIHFB-UHFFFAOYSA-N -1 1 424.563 4.198 20 0 HIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1Br ZINC000479138772 894408798 /nfs/dbraw/zinc/40/87/98/894408798.db2.gz YIHSGCXKXOUUQB-UHFFFAOYSA-N -1 1 420.760 4.373 20 0 HIADMM COc1ccc(OCCS(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)cc1 ZINC000479268995 894542665 /nfs/dbraw/zinc/54/26/65/894542665.db2.gz JBUUGGVETYMSCP-UHFFFAOYSA-N -1 1 412.920 4.087 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)CC(F)F)c1 ZINC000505218120 913889404 /nfs/dbraw/zinc/88/94/04/913889404.db2.gz GKIYWIZWEBFEPY-UHFFFAOYSA-N -1 1 424.513 4.430 20 0 HIADMM C[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000479377396 894678762 /nfs/dbraw/zinc/67/87/62/894678762.db2.gz JHPQRTGOLKRPLX-LLVKDONJSA-N -1 1 420.840 4.069 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccc(Br)cc1F ZINC000479511535 894824827 /nfs/dbraw/zinc/82/48/27/894824827.db2.gz PJABRBIAOLJLGW-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM COc1cc(Br)c(S(=O)(=O)[N-]c2c(F)cccc2OC)cc1Cl ZINC000479562003 894859730 /nfs/dbraw/zinc/85/97/30/894859730.db2.gz WPALUPPOHZEJLI-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)ccc1C1CC1 ZINC000479571518 894865044 /nfs/dbraw/zinc/86/50/44/894865044.db2.gz UGOBROHRNFENFJ-UHFFFAOYSA-N -1 1 402.491 4.048 20 0 HIADMM CC(C)c1nn(C)c2sc(C(=O)Nc3nc(-c4c(F)cccc4F)n[n-]3)cc12 ZINC000479763380 895063394 /nfs/dbraw/zinc/06/33/94/895063394.db2.gz ANTAXKBJZGYEEN-UHFFFAOYSA-N -1 1 402.430 4.074 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC(C)(C)CCCc2ccccc2)c(=O)[n-]1 ZINC000505279358 913937567 /nfs/dbraw/zinc/93/75/67/913937567.db2.gz DOSGMKIAEKOQDX-UHFFFAOYSA-N -1 1 401.576 4.310 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000479848070 895179812 /nfs/dbraw/zinc/17/98/12/895179812.db2.gz DQRRYIQGEZBOET-UHFFFAOYSA-N -1 1 422.916 4.155 20 0 HIADMM Cc1nc(-c2ccc(N3C[C@H](c4ccccc4Cl)OC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000480072884 895424859 /nfs/dbraw/zinc/42/48/59/895424859.db2.gz MAKZONMVMTZHLQ-BFUOFWGJSA-N -1 1 410.905 4.481 20 0 HIADMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2)n1 ZINC000480202242 895600008 /nfs/dbraw/zinc/60/00/08/895600008.db2.gz ULWGXFCBKKPKHA-UHFFFAOYSA-N -1 1 423.416 4.483 20 0 HIADMM CCS[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000480365226 895771640 /nfs/dbraw/zinc/77/16/40/895771640.db2.gz JXXVGGKULISIIP-LJQANCHMSA-N -1 1 418.584 4.235 20 0 HIADMM Cc1ccccc1CCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000505339356 914001889 /nfs/dbraw/zinc/00/18/89/914001889.db2.gz UOLCOSLBXUBQNZ-UHFFFAOYSA-N -1 1 408.523 4.045 20 0 HIADMM COc1cc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc(Cl)c1[O-] ZINC000480429759 895824098 /nfs/dbraw/zinc/82/40/98/895824098.db2.gz ZGGJBQWMSWVGPW-GOEBONIOSA-N -1 1 416.688 4.091 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(C)(C)[C@@H]3C(C)C)cc2)cc1 ZINC000480466548 895849390 /nfs/dbraw/zinc/84/93/90/895849390.db2.gz YZWWYGWRMACXNP-FQEVSTJZSA-N -1 1 416.543 4.003 20 0 HIADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000480938895 896288334 /nfs/dbraw/zinc/28/83/34/896288334.db2.gz RVSWYXNMTNJSQX-QWHCGFSZSA-N -1 1 410.898 4.150 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(C(=O)c3ccccc3)c2)c(=O)[n-]1 ZINC000505415387 914078376 /nfs/dbraw/zinc/07/83/76/914078376.db2.gz KOFHRRJFELMBHQ-UHFFFAOYSA-N -1 1 407.495 4.015 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3C(F)F)cc2)c1C ZINC000505414333 914079280 /nfs/dbraw/zinc/07/92/80/914079280.db2.gz GURXXJYLEJLJQM-LJQANCHMSA-N -1 1 422.497 4.364 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3C(F)F)cc2)cc1 ZINC000505447878 914114471 /nfs/dbraw/zinc/11/44/71/914114471.db2.gz PWAMIPOZRKFEDC-GOSISDBHSA-N -1 1 408.470 4.056 20 0 HIADMM O=C(NCc1ccc(C2CC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000481649646 897034877 /nfs/dbraw/zinc/03/48/77/897034877.db2.gz GVXVADPRTGEKLS-UHFFFAOYSA-N -1 1 406.507 4.295 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000481717924 897111727 /nfs/dbraw/zinc/11/17/27/897111727.db2.gz YMIJLVLGBSEJOY-XGAFWQRZSA-N -1 1 424.497 4.303 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c3ncccc23)ccc1F ZINC000481851881 897218334 /nfs/dbraw/zinc/21/83/34/897218334.db2.gz BHAHSBMDFSDJDV-UHFFFAOYSA-N -1 1 415.490 4.174 20 0 HIADMM Cc1nc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c(Cl)cc1Cl ZINC000481898415 897276762 /nfs/dbraw/zinc/27/67/62/897276762.db2.gz OCJATNPXOQEWLB-UHFFFAOYSA-N -1 1 422.293 4.241 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c1C ZINC000481977449 897370580 /nfs/dbraw/zinc/37/05/80/897370580.db2.gz OHZAPNSNZLUHPO-UHFFFAOYSA-N -1 1 423.922 4.146 20 0 HIADMM COc1ccc2c(c1NC(=O)c1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)CCC2 ZINC000482028448 897436191 /nfs/dbraw/zinc/43/61/91/897436191.db2.gz VKKKYKWZXUTPMJ-UHFFFAOYSA-N -1 1 422.506 4.237 20 0 HIADMM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000482256761 897738171 /nfs/dbraw/zinc/73/81/71/897738171.db2.gz CBVHGXZEYOGROP-MOPGFXCFSA-N -1 1 418.584 4.282 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCO[C@H]1c1ccccc1)c1c(Cl)cccc1C(F)(F)F ZINC000482314766 897813541 /nfs/dbraw/zinc/81/35/41/897813541.db2.gz FDYSNJFBDUDLCD-BBRMVZONSA-N -1 1 419.852 4.415 20 0 HIADMM CN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Br)c([O-])c1 ZINC000482491057 898070227 /nfs/dbraw/zinc/07/02/27/898070227.db2.gz BVWCKLGCALMKJY-UHFFFAOYSA-N -1 1 417.072 4.329 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)c1 ZINC000482537053 898123656 /nfs/dbraw/zinc/12/36/56/898123656.db2.gz RFPJIJSKMHRQQF-SMDDNHRTSA-N -1 1 403.276 4.310 20 0 HIADMM COC(C)(C)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n1 ZINC000482550234 898140454 /nfs/dbraw/zinc/14/04/54/898140454.db2.gz PPRZZKGARWBSCR-UHFFFAOYSA-N -1 1 401.488 4.036 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000482679505 898280379 /nfs/dbraw/zinc/28/03/79/898280379.db2.gz XOCUYEYCWIDXTM-UHFFFAOYSA-N -1 1 405.170 4.052 20 0 HIADMM CCc1ccnc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)n2)c1 ZINC000482755793 898361552 /nfs/dbraw/zinc/36/15/52/898361552.db2.gz TYDDIFGPAMKYSI-UHFFFAOYSA-N -1 1 424.457 4.301 20 0 HIADMM CC[C@H](C)n1ncc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000482786911 898396137 /nfs/dbraw/zinc/39/61/37/898396137.db2.gz GWMDASOGVFKDMV-HNNXBMFYSA-N -1 1 412.515 4.216 20 0 HIADMM COc1ccc(NC(=O)N[C@H]2CCC(C)(C)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000482971517 898605655 /nfs/dbraw/zinc/60/56/55/898605655.db2.gz UQCQTVIANRRDJQ-KRWDZBQOSA-N -1 1 417.531 4.001 20 0 HIADMM Cc1ccccc1COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000483141380 898820809 /nfs/dbraw/zinc/82/08/09/898820809.db2.gz SIMHVRWYOVBBNX-UHFFFAOYSA-N -1 1 411.479 4.146 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccc(Br)cc1 ZINC000483187894 898848086 /nfs/dbraw/zinc/84/80/86/898848086.db2.gz DYNZSWFLKDOEEZ-UHFFFAOYSA-N -1 1 405.273 4.437 20 0 HIADMM CSc1nsc([N-]C(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000483509627 899171451 /nfs/dbraw/zinc/17/14/51/899171451.db2.gz WJNXOHZZKJHHHJ-UHFFFAOYSA-N -1 1 400.407 4.495 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccccc1OC(F)F ZINC000484180167 899796494 /nfs/dbraw/zinc/79/64/94/899796494.db2.gz ZGHSCKFNWIHLDF-UHFFFAOYSA-N -1 1 416.409 4.027 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C(C)C)c(OC)c2)cc1 ZINC000484234891 899826312 /nfs/dbraw/zinc/82/63/12/899826312.db2.gz PVUODVFTXURNLV-UHFFFAOYSA-N -1 1 423.531 4.043 20 0 HIADMM O=C(Nc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1)c1cccs1 ZINC000484270122 899843890 /nfs/dbraw/zinc/84/38/90/899843890.db2.gz DCFQWAHDDVARMV-UHFFFAOYSA-N -1 1 416.462 4.207 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(F)cn2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000484676624 900117558 /nfs/dbraw/zinc/11/75/58/900117558.db2.gz CDYMNSYGUCGZAC-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CC(C)n1cccc1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000484868939 900257701 /nfs/dbraw/zinc/25/77/01/900257701.db2.gz ZXILIBWFPJBJKB-UHFFFAOYSA-N -1 1 411.527 4.142 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(Cl)cc1F ZINC000484951215 900318064 /nfs/dbraw/zinc/31/80/64/900318064.db2.gz GMFYNMHSUHIGTO-UHFFFAOYSA-N -1 1 411.760 4.305 20 0 HIADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc(COc2ccc(F)cc2)o1 ZINC000484952245 900318319 /nfs/dbraw/zinc/31/83/19/900318319.db2.gz KXORCHLWCDCTQD-UHFFFAOYSA-N -1 1 401.341 4.206 20 0 HIADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000485151542 900452096 /nfs/dbraw/zinc/45/20/96/900452096.db2.gz VEFFDNNDFSEVQG-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc(Cl)ccc1Br ZINC000485412242 900711335 /nfs/dbraw/zinc/71/13/35/900711335.db2.gz WSZRQUMVBFYXFO-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485620586 900876063 /nfs/dbraw/zinc/87/60/63/900876063.db2.gz BZQISXRLJWVFSR-VSKRKVRLSA-N -1 1 418.541 4.169 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCCCCC(=O)C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000485828492 901075158 /nfs/dbraw/zinc/07/51/58/901075158.db2.gz KIDXABYRNNEGFI-QGZVFWFLSA-N -1 1 414.527 4.274 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccoc1C(F)(F)F ZINC000485833668 901079248 /nfs/dbraw/zinc/07/92/48/901079248.db2.gz UPMQIZLUGPXDEM-UHFFFAOYSA-N -1 1 410.373 4.352 20 0 HIADMM CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc21 ZINC000486257419 901440824 /nfs/dbraw/zinc/44/08/24/901440824.db2.gz ZSFCSYULIHYLIH-UHFFFAOYSA-N -1 1 403.866 4.461 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1OC1CCCC1 ZINC000486446144 901605075 /nfs/dbraw/zinc/60/50/75/901605075.db2.gz MLOCLEKRECUNNA-UHFFFAOYSA-N -1 1 404.470 4.055 20 0 HIADMM O=S(=O)([N-]Cc1ccnc(Oc2ccccc2F)c1)c1c(F)cccc1Cl ZINC000486819453 901872780 /nfs/dbraw/zinc/87/27/80/901872780.db2.gz IZRHMFRNJZMXBX-UHFFFAOYSA-N -1 1 410.829 4.284 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000486826827 901879002 /nfs/dbraw/zinc/87/90/02/901879002.db2.gz QUMWPRGUJRKRQZ-MNZLEMJZSA-N -1 1 420.918 4.134 20 0 HIADMM CCCC[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(OC)cc1 ZINC000487647685 902272903 /nfs/dbraw/zinc/27/29/03/902272903.db2.gz HFQIJYDKYRHUJF-FQEVSTJZSA-N -1 1 410.518 4.041 20 0 HIADMM O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)c1ccc(Br)c([O-])c1 ZINC000488139262 902635465 /nfs/dbraw/zinc/63/54/65/902635465.db2.gz JJRYSBHRFOLFFI-UHFFFAOYSA-N -1 1 417.234 4.411 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)ccc1C ZINC000488233871 902709871 /nfs/dbraw/zinc/70/98/71/902709871.db2.gz QKIDDFCQJDXQRT-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000488262634 902735125 /nfs/dbraw/zinc/73/51/25/902735125.db2.gz KIRWTYMXOHFHCT-UHFFFAOYSA-N -1 1 405.854 4.289 20 0 HIADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c(C)c1 ZINC000488293781 902756296 /nfs/dbraw/zinc/75/62/96/902756296.db2.gz ZDOIUPPTJGERQP-UHFFFAOYSA-N -1 1 420.840 4.218 20 0 HIADMM CCc1cccnc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000505997573 914667155 /nfs/dbraw/zinc/66/71/55/914667155.db2.gz RCWDKXUQZCPSSF-UHFFFAOYSA-N -1 1 409.511 4.314 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCC(F)(F)C3)ccc2C)c1 ZINC000488953049 903094633 /nfs/dbraw/zinc/09/46/33/903094633.db2.gz YCTSAERKKHMXTM-GOSISDBHSA-N -1 1 422.497 4.412 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000489103734 903197631 /nfs/dbraw/zinc/19/76/31/903197631.db2.gz PINZDNVYJBLCQR-HNNXBMFYSA-N -1 1 422.916 4.088 20 0 HIADMM COc1ccc(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000490249562 903853936 /nfs/dbraw/zinc/85/39/36/903853936.db2.gz VWJHPVQZHFXVOC-UHFFFAOYSA-N -1 1 424.522 4.457 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([C@@H]4C[C@H]4C)[nH]n3)ccc2C)c1 ZINC000490258365 903857990 /nfs/dbraw/zinc/85/79/90/903857990.db2.gz LYYCYTQOIZDUCA-CRAIPNDOSA-N -1 1 424.526 4.203 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc(C2CC2)no1 ZINC000490413319 903995355 /nfs/dbraw/zinc/99/53/55/903995355.db2.gz LTVBBUDATJQKLX-ZDUSSCGKSA-N -1 1 423.844 4.295 20 0 HIADMM CCC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1 ZINC000490581187 904114795 /nfs/dbraw/zinc/11/47/95/904114795.db2.gz BVLBRXJRACIEOU-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(Br)c([O-])c3)n2)cc1F ZINC000490612522 904135358 /nfs/dbraw/zinc/13/53/58/904135358.db2.gz UWVFTMCFRKFZOO-JTQLQIEISA-N -1 1 420.238 4.143 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3c(C)cccc3O)cc2)c1C ZINC000490686320 904174594 /nfs/dbraw/zinc/17/45/94/904174594.db2.gz VTFUMILLNHNNSW-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(F)c(F)c(F)c1 ZINC000490871528 904297125 /nfs/dbraw/zinc/29/71/25/904297125.db2.gz KZTKVGNKWCNXSX-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(C)(C)C)cc2O)c1 ZINC000506237190 914857424 /nfs/dbraw/zinc/85/74/24/914857424.db2.gz AQJQOVDHIXNPQF-UHFFFAOYSA-N -1 1 409.442 4.196 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000494533201 905816542 /nfs/dbraw/zinc/81/65/42/905816542.db2.gz VSXGHXUDQAVTLE-QFIPXVFZSA-N -1 1 412.493 4.065 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C3CCCC3)cc2)c1 ZINC000494571816 905842612 /nfs/dbraw/zinc/84/26/12/905842612.db2.gz USWMGYVTUMCWRO-UHFFFAOYSA-N -1 1 407.557 4.327 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)cc1 ZINC000494619174 905866170 /nfs/dbraw/zinc/86/61/70/905866170.db2.gz UMVFFTURZVSTTO-UHFFFAOYSA-N -1 1 402.497 4.363 20 0 HIADMM CN(Cc1cccc2[nH]ccc21)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000495102194 906240826 /nfs/dbraw/zinc/24/08/26/906240826.db2.gz PXGIAFCVRJEREN-UHFFFAOYSA-N -1 1 419.506 4.241 20 0 HIADMM CC1(C)CCC(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000495262541 906348965 /nfs/dbraw/zinc/34/89/65/906348965.db2.gz QFUJNGKCXGHWLI-UHFFFAOYSA-N -1 1 400.544 4.320 20 0 HIADMM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000495370085 906408755 /nfs/dbraw/zinc/40/87/55/906408755.db2.gz ZZSFKBAMPZFTPC-UHFFFAOYSA-N -1 1 409.858 4.065 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCSCC3)ccc2C)c1 ZINC000496206860 906627793 /nfs/dbraw/zinc/62/77/93/906627793.db2.gz ZJDKPIJFGJDLIX-UHFFFAOYSA-N -1 1 404.557 4.186 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(C1CC1)C1CC1 ZINC000496966582 906787841 /nfs/dbraw/zinc/78/78/41/906787841.db2.gz HUWYLKZQIQUGSF-UHFFFAOYSA-N -1 1 420.481 4.026 20 0 HIADMM C[C@]1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])C[C@H]2C[C@H]2C1 ZINC000497107117 906806614 /nfs/dbraw/zinc/80/66/14/906806614.db2.gz HVNFOTLMTLIZJK-PPTBJCHFSA-N -1 1 420.918 4.221 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)ccc1OC(C)C ZINC000512733000 921298861 /nfs/dbraw/zinc/29/88/61/921298861.db2.gz IZSMPQLYZDURBL-UHFFFAOYSA-N -1 1 410.495 4.326 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)c3cccc(c23)C1=O ZINC000512772141 921309505 /nfs/dbraw/zinc/30/95/05/921309505.db2.gz VVBQBLGIYJPONZ-UHFFFAOYSA-N -1 1 406.385 4.249 20 0 HIADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000497862712 907340356 /nfs/dbraw/zinc/34/03/56/907340356.db2.gz MHEFRRWERJTLMC-UHFFFAOYSA-N -1 1 413.312 4.298 20 0 HIADMM CC[C@H](OC1CCCC1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498199907 907732977 /nfs/dbraw/zinc/73/29/77/907732977.db2.gz GNZPEPCJZVXOBL-FQEVSTJZSA-N -1 1 402.516 4.164 20 0 HIADMM C[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498214099 907743681 /nfs/dbraw/zinc/74/36/81/907743681.db2.gz NKIPLYHDQAZOBA-MRXNPFEDSA-N -1 1 410.499 4.107 20 0 HIADMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000498426338 907896322 /nfs/dbraw/zinc/89/63/22/907896322.db2.gz SOSRNCFBZOSRLY-UHFFFAOYSA-N -1 1 416.543 4.127 20 0 HIADMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000498432794 907899263 /nfs/dbraw/zinc/89/92/63/907899263.db2.gz IWKZXAHGKHTFJK-UHFFFAOYSA-N -1 1 400.544 4.329 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)cc1 ZINC000499138911 908494879 /nfs/dbraw/zinc/49/48/79/908494879.db2.gz KKIZVEVTGMZSIF-RIFZZMRRSA-N -1 1 400.544 4.350 20 0 HIADMM CCCN(Cc1c(F)cccc1Cl)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000499528198 908830033 /nfs/dbraw/zinc/83/00/33/908830033.db2.gz JTLSSRFSWBIJNK-UHFFFAOYSA-N -1 1 411.930 4.376 20 0 HIADMM Cc1noc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000499957091 909397177 /nfs/dbraw/zinc/39/71/77/909397177.db2.gz OVZAKLGLRPAMAT-UHFFFAOYSA-N -1 1 423.853 4.137 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(F)cn2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000499974615 909418166 /nfs/dbraw/zinc/41/81/66/909418166.db2.gz PNMYRVJLBXRSTF-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CC(C)C[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000500157568 909639760 /nfs/dbraw/zinc/63/97/60/909639760.db2.gz OEYQVRQVUVQDPH-IBGZPJMESA-N -1 1 404.507 4.277 20 0 HIADMM O=S(=O)([N-]c1ccccc1Br)c1cc(Br)ccc1F ZINC000500316272 909777408 /nfs/dbraw/zinc/77/74/08/909777408.db2.gz YWZAPEVYCGEABM-UHFFFAOYSA-N -1 1 409.074 4.152 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000500342559 909801413 /nfs/dbraw/zinc/80/14/13/909801413.db2.gz CFSJYRXTUBQAIH-CYBMUJFWSA-N -1 1 414.449 4.343 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1C(F)(F)F)c1cc(Br)ccc1F ZINC000500682626 910018083 /nfs/dbraw/zinc/01/80/83/910018083.db2.gz OVTNPIGETXBKTJ-UHFFFAOYSA-N -1 1 412.202 4.086 20 0 HIADMM CC(C)CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CC1 ZINC000513113198 921560537 /nfs/dbraw/zinc/56/05/37/921560537.db2.gz KWQWXOQZUUENHG-UHFFFAOYSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000501630589 910727460 /nfs/dbraw/zinc/72/74/60/910727460.db2.gz PJSUNSOJYQBLRB-QAPCUYQASA-N -1 1 400.544 4.222 20 0 HIADMM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000501747419 910807164 /nfs/dbraw/zinc/80/71/64/910807164.db2.gz OEHNVOJUVKHFNO-UHFFFAOYSA-N -1 1 409.858 4.065 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](C)C[C@@H](C)C3)c2)cc1 ZINC000502218400 911160548 /nfs/dbraw/zinc/16/05/48/911160548.db2.gz HTHHTKICHQLKFA-DLBZAZTESA-N -1 1 416.543 4.004 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1nccs1 ZINC000502423040 911401143 /nfs/dbraw/zinc/40/11/43/911401143.db2.gz OUEFXSPQDKKNDE-JTQLQIEISA-N -1 1 413.721 4.128 20 0 HIADMM O=S(=O)([N-][C@H]1CSc2ccccc21)c1c(Cl)cc(F)cc1Br ZINC000502460472 911447720 /nfs/dbraw/zinc/44/77/20/911447720.db2.gz QIQKZSNWVKUCIV-LBPRGKRZSA-N -1 1 422.728 4.367 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C)c4nccn4c3)cc2)cc1 ZINC000502814077 911829590 /nfs/dbraw/zinc/82/95/90/911829590.db2.gz WWAWUOWFEWRQHY-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c(C(F)(F)F)c1 ZINC000506540547 915185234 /nfs/dbraw/zinc/18/52/34/915185234.db2.gz NJVZRFKEEXEZHP-UHFFFAOYSA-N -1 1 420.840 4.302 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cn1 ZINC000506663773 915341651 /nfs/dbraw/zinc/34/16/51/915341651.db2.gz YDTWOMVTFSELNC-UHFFFAOYSA-N -1 1 414.327 4.151 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCC3)cc1)c1cccc(-c2ccccc2)c1 ZINC000506686053 915364984 /nfs/dbraw/zinc/36/49/84/915364984.db2.gz BJJTUSJSHFDYIR-UHFFFAOYSA-N -1 1 416.506 4.359 20 0 HIADMM CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000506728621 915412126 /nfs/dbraw/zinc/41/21/26/915412126.db2.gz XZNREBYYINEYQU-UHFFFAOYSA-N -1 1 408.523 4.222 20 0 HIADMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(Br)cc2C)ccc1F ZINC000507618474 916377491 /nfs/dbraw/zinc/37/74/91/916377491.db2.gz CXUODINFUMMKDB-UHFFFAOYSA-N -1 1 400.269 4.208 20 0 HIADMM COc1cc(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc(Cl)c1[O-] ZINC000507683700 916456508 /nfs/dbraw/zinc/45/65/08/916456508.db2.gz ONINDEZFQLIINF-MRVPVSSYSA-N -1 1 402.647 4.447 20 0 HIADMM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1cc(Cl)ccc1C(F)(F)F ZINC000507965574 916818522 /nfs/dbraw/zinc/81/85/22/916818522.db2.gz BPBYNJYUOQGKIB-UHFFFAOYSA-N -1 1 420.775 4.084 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)c1 ZINC000507981532 916827549 /nfs/dbraw/zinc/82/75/49/916827549.db2.gz BYKZRTJBAUBZQU-UHFFFAOYSA-N -1 1 419.543 4.217 20 0 HIADMM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccco1 ZINC000508021565 916857280 /nfs/dbraw/zinc/85/72/80/916857280.db2.gz FXMCMQNHHGTYFZ-HNNXBMFYSA-N -1 1 409.401 4.130 20 0 HIADMM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000508071458 916893055 /nfs/dbraw/zinc/89/30/55/916893055.db2.gz BDGWIMCLRRJCAG-UHFFFAOYSA-N -1 1 411.898 4.002 20 0 HIADMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)c2)n[nH]1 ZINC000509080917 917825015 /nfs/dbraw/zinc/82/50/15/917825015.db2.gz IVLACWGWCPNSFU-UHFFFAOYSA-N -1 1 410.421 4.217 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000509085538 917828046 /nfs/dbraw/zinc/82/80/46/917828046.db2.gz UUEPKBLDLNWFAX-UHFFFAOYSA-N -1 1 404.488 4.322 20 0 HIADMM COc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C)nc3)ccc2OC(F)F)cc1 ZINC000509232417 917928837 /nfs/dbraw/zinc/92/88/37/917928837.db2.gz IINMWTKJNAASIX-UHFFFAOYSA-N -1 1 420.437 4.468 20 0 HIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)ccc2[nH]1 ZINC000509376361 918042950 /nfs/dbraw/zinc/04/29/50/918042950.db2.gz QBKFRLUDZKOTCZ-UHFFFAOYSA-N -1 1 410.417 4.219 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)c1 ZINC000509376020 918043211 /nfs/dbraw/zinc/04/32/11/918043211.db2.gz MOWHJFAJERKDCU-UHFFFAOYSA-N -1 1 414.458 4.092 20 0 HIADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000509382910 918048626 /nfs/dbraw/zinc/04/86/26/918048626.db2.gz GDZGGWHGXCMWKD-UHFFFAOYSA-N -1 1 406.248 4.154 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1ccc(Br)cc1F ZINC000509383458 918049797 /nfs/dbraw/zinc/04/97/97/918049797.db2.gz CUAPSHGKGFRJRP-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)cc1C ZINC000509395675 918062284 /nfs/dbraw/zinc/06/22/84/918062284.db2.gz DJIFPUHCJWLSJV-UHFFFAOYSA-N -1 1 414.458 4.092 20 0 HIADMM CC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000509438174 918095317 /nfs/dbraw/zinc/09/53/17/918095317.db2.gz LYDKSJDHALLQEA-DYESRHJHSA-N -1 1 418.534 4.254 20 0 HIADMM Cc1ccc([C@@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C2CC2)cc1 ZINC000509509145 918155618 /nfs/dbraw/zinc/15/56/18/918155618.db2.gz JLOMBLHPZHMLET-JOCHJYFZSA-N -1 1 402.498 4.061 20 0 HIADMM Cc1nnc(Sc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c(C)c2)s1 ZINC000509537834 918186719 /nfs/dbraw/zinc/18/67/19/918186719.db2.gz KCQALNIBDACEII-UHFFFAOYSA-N -1 1 413.496 4.385 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)c[nH]1 ZINC000509540153 918188148 /nfs/dbraw/zinc/18/81/48/918188148.db2.gz OMKNTPDIGBDOKI-UHFFFAOYSA-N -1 1 408.888 4.318 20 0 HIADMM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000509544328 918192452 /nfs/dbraw/zinc/19/24/52/918192452.db2.gz WMUPLLNYMILAQQ-UHFFFAOYSA-N -1 1 407.344 4.336 20 0 HIADMM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000509543130 918192970 /nfs/dbraw/zinc/19/29/70/918192970.db2.gz VBIHBBLLZDTTDT-UHFFFAOYSA-N -1 1 420.840 4.039 20 0 HIADMM O=C(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)Nc1cccc2ccccc21 ZINC000509650574 918288360 /nfs/dbraw/zinc/28/83/60/918288360.db2.gz JMKYIPJDSGSWSG-UHFFFAOYSA-N -1 1 415.323 4.125 20 0 HIADMM CCOc1ccc(C2=CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)cc1 ZINC000509654199 918290852 /nfs/dbraw/zinc/29/08/52/918290852.db2.gz CXALPUBRNUNBIR-UHFFFAOYSA-N -1 1 402.288 4.483 20 0 HIADMM CCN(Cc1cccc(Cl)c1)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509668563 918301482 /nfs/dbraw/zinc/30/14/82/918301482.db2.gz DGFPONWFEDFVRR-UHFFFAOYSA-N -1 1 410.905 4.187 20 0 HIADMM CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H](C)c1ccc(F)cc1 ZINC000509740126 918360553 /nfs/dbraw/zinc/36/05/53/918360553.db2.gz MFQGHWJLPQCILE-INIZCTEOSA-N -1 1 408.477 4.234 20 0 HIADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000509982035 918569240 /nfs/dbraw/zinc/56/92/40/918569240.db2.gz LLJFPVYPIZBVOE-AVRDEDQJSA-N -1 1 424.497 4.160 20 0 HIADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)n1 ZINC000509987808 918575243 /nfs/dbraw/zinc/57/52/43/918575243.db2.gz SVMKTYCJMYWUOY-UHFFFAOYSA-N -1 1 421.240 4.333 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1O ZINC000510063228 918633145 /nfs/dbraw/zinc/63/31/45/918633145.db2.gz OUAHSJNADNEJKP-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(O)c3)ccc2C)c1 ZINC000510067533 918636178 /nfs/dbraw/zinc/63/61/78/918636178.db2.gz AAYUYTYUSQEKQJ-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCc4cc(F)ccc43)c2)cc1 ZINC000510285068 918807326 /nfs/dbraw/zinc/80/73/26/918807326.db2.gz AAMDBTVGAVLYJX-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM Cc1csc([C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C2CC2)n1 ZINC000510341796 918841919 /nfs/dbraw/zinc/84/19/19/918841919.db2.gz MQLAYJYIWZDIDL-LBPRGKRZSA-N -1 1 421.769 4.297 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000511150443 919769929 /nfs/dbraw/zinc/76/99/29/919769929.db2.gz OIDMRDADSZKYOH-UHFFFAOYSA-N -1 1 417.739 4.483 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c2ccccc12 ZINC000511222643 919830277 /nfs/dbraw/zinc/83/02/77/919830277.db2.gz OYNFFAIBEAXALJ-UHFFFAOYSA-N -1 1 414.508 4.084 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2nccc2C(F)(F)F)cc1)c1ccccc1Cl ZINC000511261019 919859723 /nfs/dbraw/zinc/85/97/23/919859723.db2.gz ODOIEXXNPJIDGF-UHFFFAOYSA-N -1 1 401.797 4.345 20 0 HIADMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000511277930 919874156 /nfs/dbraw/zinc/87/41/56/919874156.db2.gz CLZRCPMYSMOUKJ-UHFFFAOYSA-N -1 1 423.332 4.215 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1F ZINC000511637574 920300456 /nfs/dbraw/zinc/30/04/56/920300456.db2.gz BLGZFTNCMWDMGS-UHFFFAOYSA-N -1 1 424.837 4.134 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC[C@H]3C)cc2)ccc1F ZINC000511804382 920500297 /nfs/dbraw/zinc/50/02/97/920500297.db2.gz CPHIQSFDNVRFQT-MRXNPFEDSA-N -1 1 404.507 4.340 20 0 HIADMM O=C(NCc1coc2ccccc12)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000511805112 920501869 /nfs/dbraw/zinc/50/18/69/920501869.db2.gz BOGOAFZNZVVFMH-UHFFFAOYSA-N -1 1 424.453 4.303 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000511902464 920639873 /nfs/dbraw/zinc/63/98/73/920639873.db2.gz VBLDHNHVEKYACO-UHFFFAOYSA-N -1 1 424.407 4.052 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CCc2ccccc2C1 ZINC000511932812 920682664 /nfs/dbraw/zinc/68/26/64/920682664.db2.gz CCNJKZQTVVXIMJ-QFIPXVFZSA-N -1 1 420.534 4.117 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)cc3nc[nH]c32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000512073590 920839862 /nfs/dbraw/zinc/83/98/62/920839862.db2.gz JZKIDYFEJAZECF-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000512226560 920977448 /nfs/dbraw/zinc/97/74/48/920977448.db2.gz JJJLWKONGWPTFA-UHFFFAOYSA-N -1 1 420.900 4.064 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2F)c1F ZINC000513464377 921827572 /nfs/dbraw/zinc/82/75/72/921827572.db2.gz XJXWIVVDBKEZHJ-UHFFFAOYSA-N -1 1 418.469 4.059 20 0 HIADMM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513719350 922039397 /nfs/dbraw/zinc/03/93/97/922039397.db2.gz BNPSDAHJBRWGML-HKUYNNGSSA-N -1 1 416.543 4.330 20 0 HIADMM CC[C@H]1C[C@@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513728619 922047646 /nfs/dbraw/zinc/04/76/46/922047646.db2.gz BBNZTWQCXUNKRI-LPHOPBHVSA-N -1 1 402.516 4.021 20 0 HIADMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000513804879 922127878 /nfs/dbraw/zinc/12/78/78/922127878.db2.gz HVMILYUBKJKCID-CQSZACIVSA-N -1 1 413.499 4.225 20 0 HIADMM CCOc1cc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cc(Cl)c1[O-] ZINC000514045416 922367217 /nfs/dbraw/zinc/36/72/17/922367217.db2.gz AGPAGFAYRJUEFR-UHFFFAOYSA-N -1 1 418.896 4.251 20 0 HIADMM O=C(CCn1ccc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000514349595 922602384 /nfs/dbraw/zinc/60/23/84/922602384.db2.gz OMPVJHIDSNSTEA-UHFFFAOYSA-N -1 1 419.506 4.471 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4n[nH]cc4c3)c2)c1 ZINC000514360524 922606854 /nfs/dbraw/zinc/60/68/54/922606854.db2.gz UKAOPUZBTKGHPJ-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCC2)cc1C ZINC000515631012 923231910 /nfs/dbraw/zinc/23/19/10/923231910.db2.gz QKNWVNIBPOTICN-UHFFFAOYSA-N -1 1 404.507 4.306 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3c3ccc[nH]3)c2)c1 ZINC000515779548 923345845 /nfs/dbraw/zinc/34/58/45/923345845.db2.gz ZZONVGXEXWRGLN-NRFANRHFSA-N -1 1 409.511 4.101 20 0 HIADMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000515865899 923400697 /nfs/dbraw/zinc/40/06/97/923400697.db2.gz SWQURXMAHMDBDT-UHFFFAOYSA-N -1 1 422.535 4.434 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2nc(-c3cc(C)oc3C)cs2)c(=O)[n-]1 ZINC000515870998 923402147 /nfs/dbraw/zinc/40/21/47/923402147.db2.gz BXROJAPFPBCSQS-UHFFFAOYSA-N -1 1 404.517 4.117 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc3ccccc3o2)cc1 ZINC000516110049 923547730 /nfs/dbraw/zinc/54/77/30/923547730.db2.gz BRXDHTNBZFXIEE-UHFFFAOYSA-N -1 1 420.490 4.472 20 0 HIADMM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cc(Br)ccc2OC)cc1 ZINC000516615174 923817252 /nfs/dbraw/zinc/81/72/52/923817252.db2.gz PXBGKKUOBJNCJQ-GOSISDBHSA-N -1 1 408.292 4.162 20 0 HIADMM Cc1ccc(NC(=O)CC(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000516761013 923880555 /nfs/dbraw/zinc/88/05/55/923880555.db2.gz FJFIYFFTOWFVEL-UHFFFAOYSA-N -1 1 406.813 4.340 20 0 HIADMM O=S(=O)(Cc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000517434681 924183631 /nfs/dbraw/zinc/18/36/31/924183631.db2.gz XODDXCKWBTYAAW-UHFFFAOYSA-N -1 1 421.927 4.115 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C3CC3)C3CCCC3)c2)cc1 ZINC000517806001 926845474 /nfs/dbraw/zinc/84/54/74/926845474.db2.gz SLUOELFKMGXWCK-UHFFFAOYSA-N -1 1 414.527 4.043 20 0 HIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1cc(F)cc2nccnc21 ZINC000517942364 926897774 /nfs/dbraw/zinc/89/77/74/926897774.db2.gz WOFHPTYASKXAFL-UHFFFAOYSA-N -1 1 403.489 4.227 20 0 HIADMM Cc1ccc(NC(=O)c2cc(-c3ccoc3)[nH]n2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000518222312 927087207 /nfs/dbraw/zinc/08/72/07/927087207.db2.gz UBIBINOUVUFKHZ-UHFFFAOYSA-N -1 1 422.466 4.031 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000518492822 927306350 /nfs/dbraw/zinc/30/63/50/927306350.db2.gz RMUFAWTUXMJYCP-UHFFFAOYSA-N -1 1 411.458 4.162 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)c4cccs4)c3)ccc2O1 ZINC000518493358 927306403 /nfs/dbraw/zinc/30/64/03/927306403.db2.gz BMWDDROIBSQRFP-CYBMUJFWSA-N -1 1 414.508 4.125 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3Cc4ccccc4C3)c2)cc1F ZINC000518504445 927314798 /nfs/dbraw/zinc/31/47/98/927314798.db2.gz TZDADKDNLRKMPE-UHFFFAOYSA-N -1 1 410.470 4.091 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2N2CCCCC2)cc1 ZINC000518858332 927563781 /nfs/dbraw/zinc/56/37/81/927563781.db2.gz RFLXUDJCCJGTNT-MRXNPFEDSA-N -1 1 415.559 4.090 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c[nH]c(-c2ccccc2)n1 ZINC000519029416 927704572 /nfs/dbraw/zinc/70/45/72/927704572.db2.gz DUESSFPCCOGRJO-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(C)c(Cl)c3)cc2C[C@@H]1C ZINC000519059824 927739226 /nfs/dbraw/zinc/73/92/26/927739226.db2.gz WHALRRDZCGSHFM-JTQLQIEISA-N -1 1 413.326 4.400 20 0 HIADMM CC(C)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000519148984 927805155 /nfs/dbraw/zinc/80/51/55/927805155.db2.gz HJBFRXXZOQDDSR-UHFFFAOYSA-N -1 1 412.486 4.292 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(C(F)(F)F)c1 ZINC000519266687 927855672 /nfs/dbraw/zinc/85/56/72/927855672.db2.gz BVRNJYIFIJXFDN-LLVKDONJSA-N -1 1 401.406 4.228 20 0 HIADMM CCCCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000519954295 928187502 /nfs/dbraw/zinc/18/75/02/928187502.db2.gz JPPVOXJIMLCQCF-CQSZACIVSA-N -1 1 410.923 4.285 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1 ZINC000520018583 928242901 /nfs/dbraw/zinc/24/29/01/928242901.db2.gz YXGOCVJKZHBUEE-GOSISDBHSA-N -1 1 400.544 4.427 20 0 HIADMM O=C(Nc1cccc(F)c1F)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000520058530 928284063 /nfs/dbraw/zinc/28/40/63/928284063.db2.gz LSACUHGGKXMKMW-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM O=C(Nc1cccc(F)c1F)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000520066687 928289415 /nfs/dbraw/zinc/28/94/15/928289415.db2.gz FGOSDQTVFAJOJK-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)c3cccnc3)cc2)c1 ZINC000520104022 928313622 /nfs/dbraw/zinc/31/36/22/928313622.db2.gz FYUKMAHOAOWHRR-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM COc1ccc([C@@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C(C)C)cc1 ZINC000520133640 928330455 /nfs/dbraw/zinc/33/04/55/928330455.db2.gz DRYDKHHSFYXWBE-QFIPXVFZSA-N -1 1 420.513 4.007 20 0 HIADMM C[C@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2)C1 ZINC000520141297 928336772 /nfs/dbraw/zinc/33/67/72/928336772.db2.gz QUWJSGDCIAMQAR-WMLDXEAASA-N -1 1 415.515 4.165 20 0 HIADMM CCCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H]1CCc2ccccc21 ZINC000520151192 928344825 /nfs/dbraw/zinc/34/48/25/928344825.db2.gz CUDVPFZBDOHPPR-NRFANRHFSA-N -1 1 402.498 4.021 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(-c2nc(-c3ccsc3)no2)c1 ZINC000520277089 928441025 /nfs/dbraw/zinc/44/10/25/928441025.db2.gz QHAIVLRMFWRDAH-UHFFFAOYSA-N -1 1 401.444 4.405 20 0 HIADMM C[C@H](Cc1ccsc1)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000520424115 928559254 /nfs/dbraw/zinc/55/92/54/928559254.db2.gz DMEFCCVTRHELHR-GFCCVEGCSA-N -1 1 416.449 4.345 20 0 HIADMM COCCOc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1Cl ZINC000520451271 928572408 /nfs/dbraw/zinc/57/24/08/928572408.db2.gz LCQCRJATJVYWAG-UHFFFAOYSA-N -1 1 404.315 4.436 20 0 HIADMM O=S(=O)([N-]Cc1ccc(COCc2ccccc2)cc1)c1cc(F)c(F)cc1F ZINC000520663719 928709137 /nfs/dbraw/zinc/70/91/37/928709137.db2.gz PDFKHCLBGHYXQR-UHFFFAOYSA-N -1 1 421.440 4.299 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2Cc3ccccc3C2)c1 ZINC000520688329 928737142 /nfs/dbraw/zinc/73/71/42/928737142.db2.gz HWYBEEZXOJXGQE-UHFFFAOYSA-N -1 1 406.507 4.260 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)c3ccncc3)c2)c(C)s1 ZINC000520769067 928809045 /nfs/dbraw/zinc/80/90/45/928809045.db2.gz ZJQBKIPMCAYCNU-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3ccncc3)ccc2C)cc1 ZINC000520770532 928809920 /nfs/dbraw/zinc/80/99/20/928809920.db2.gz UMGGESMXIZJMQA-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)ccc1F ZINC000520966596 928893069 /nfs/dbraw/zinc/89/30/69/928893069.db2.gz XWDNIOAZMGTADE-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000520975760 928898750 /nfs/dbraw/zinc/89/87/50/928898750.db2.gz RMJSMFKFFOLFAB-UHFFFAOYSA-N -1 1 420.494 4.015 20 0 HIADMM [O-]c1cccnc1CN1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000521114964 929005083 /nfs/dbraw/zinc/00/50/83/929005083.db2.gz PDXMTEJFAORRMZ-MRXNPFEDSA-N -1 1 406.326 4.398 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N([C@H](C)C(C)C)C3CC3)c2)c1 ZINC000521181326 929047831 /nfs/dbraw/zinc/04/78/31/929047831.db2.gz KYKYFOBUDGXDKK-QGZVFWFLSA-N -1 1 400.544 4.445 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(c1ccccc1)[C@@H](C)c1ccccc1 ZINC000521332870 929148097 /nfs/dbraw/zinc/14/80/97/929148097.db2.gz RFWQKBBUJONONS-KRWDZBQOSA-N -1 1 400.482 4.389 20 0 HIADMM C[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000521345325 929160745 /nfs/dbraw/zinc/16/07/45/929160745.db2.gz UJFNPLGCYZARRN-FUHWJXTLSA-N -1 1 418.534 4.112 20 0 HIADMM O=S(=O)(Cc1ncc(-c2cccc(Cl)c2)o1)c1n[n-]c(CCC2CCCC2)n1 ZINC000521481150 929243313 /nfs/dbraw/zinc/24/33/13/929243313.db2.gz NERSKELZIRBJCR-UHFFFAOYSA-N -1 1 420.922 4.210 20 0 HIADMM CC[C@H](NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C(C)(C)C ZINC000521556618 929293816 /nfs/dbraw/zinc/29/38/16/929293816.db2.gz IRYULFSHYHUBOM-IBGZPJMESA-N -1 1 403.548 4.111 20 0 HIADMM O=S(=O)(Cc1coc(-c2cccc(Cl)c2)n1)c1n[n-]c(CCC2CCCC2)n1 ZINC000521735834 929398414 /nfs/dbraw/zinc/39/84/14/929398414.db2.gz ZXPYYTLDXYQINX-UHFFFAOYSA-N -1 1 420.922 4.210 20 0 HIADMM CCC1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)CC1 ZINC000521989293 929613677 /nfs/dbraw/zinc/61/36/77/929613677.db2.gz JQCUSOPSVFBNGE-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000524576621 929696510 /nfs/dbraw/zinc/69/65/10/929696510.db2.gz RMECHSSMZBLIQV-UHFFFAOYSA-N -1 1 423.420 4.026 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1Br ZINC000524625222 929733056 /nfs/dbraw/zinc/73/30/56/929733056.db2.gz QXHKXLWSAIWHKY-UHFFFAOYSA-N -1 1 402.335 4.122 20 0 HIADMM Cc1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000524648112 929760777 /nfs/dbraw/zinc/76/07/77/929760777.db2.gz CMNJWNXCCQNEEA-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)c(Cl)c2)ccc1F ZINC000524671931 929786693 /nfs/dbraw/zinc/78/66/93/929786693.db2.gz IOWLEVYUBNOKCR-UHFFFAOYSA-N -1 1 410.898 4.214 20 0 HIADMM CCCN(C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)[C@H](CC)c1ccccc1 ZINC000524897523 929878898 /nfs/dbraw/zinc/87/88/98/929878898.db2.gz PYKWFXDJHMXWOY-LJQANCHMSA-N -1 1 419.547 4.462 20 0 HIADMM C[C@H]1CCC[C@H](C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000525054506 930005892 /nfs/dbraw/zinc/00/58/92/930005892.db2.gz WLOSNIWXETYKJG-HKUYNNGSSA-N -1 1 400.544 4.272 20 0 HIADMM C[C@@H]1CCC[C@H](C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000525054508 930006094 /nfs/dbraw/zinc/00/60/94/930006094.db2.gz WLOSNIWXETYKJG-MJGOQNOKSA-N -1 1 400.544 4.272 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)[C@H]3C)cc2)cc1C ZINC000525107679 930040697 /nfs/dbraw/zinc/04/06/97/930040697.db2.gz ZCOSWQYFVGFRQD-FUHWJXTLSA-N -1 1 400.544 4.365 20 0 HIADMM COc1cc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)ccc1[N-]S(C)(=O)=O ZINC000525411346 930224564 /nfs/dbraw/zinc/22/45/64/930224564.db2.gz UJUIKHGNVYVOFS-KRWDZBQOSA-N -1 1 423.922 4.089 20 0 HIADMM C[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1cccs1 ZINC000525601240 930355991 /nfs/dbraw/zinc/35/59/91/930355991.db2.gz WVVVVQIXKQDDIA-INIZCTEOSA-N -1 1 414.552 4.158 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)cc1 ZINC000525618548 930365654 /nfs/dbraw/zinc/36/56/54/930365654.db2.gz WONYUBHXWRAICZ-FUHWJXTLSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3C(C)(C)C)c2)c1 ZINC000525715769 930413535 /nfs/dbraw/zinc/41/35/35/930413535.db2.gz OXJIVEDLEPGBHK-FQEVSTJZSA-N -1 1 400.544 4.447 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cn3ccccc3n2)cc1)c1cc(F)c(F)c(F)c1 ZINC000525726225 930417093 /nfs/dbraw/zinc/41/70/93/930417093.db2.gz FDULAXKUMZYNEG-UHFFFAOYSA-N -1 1 403.385 4.219 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2csc(C)n2)cc1C ZINC000526005053 930505375 /nfs/dbraw/zinc/50/53/75/930505375.db2.gz ZFHNMHBZCIDPHU-UHFFFAOYSA-N -1 1 418.540 4.253 20 0 HIADMM C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000526933219 930552519 /nfs/dbraw/zinc/55/25/19/930552519.db2.gz VARHCUNENWYCLK-CHWSQXEVSA-N -1 1 412.433 4.129 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530565895 930750891 /nfs/dbraw/zinc/75/08/91/930750891.db2.gz OBHDPKIYQOOFCM-UHFFFAOYSA-N -1 1 412.405 4.410 20 0 HIADMM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000530777419 930821245 /nfs/dbraw/zinc/82/12/45/930821245.db2.gz GJCLTDDGHKVFJJ-UPCLLVRISA-N -1 1 406.530 4.293 20 0 HIADMM Cc1nc(-c2ccc(N3CCC(CCc4ccc(O)cc4)CC3)nc2)[n-]c(=O)c1C ZINC000530910360 930856277 /nfs/dbraw/zinc/85/62/77/930856277.db2.gz ZLMBZOOFECMPGB-UHFFFAOYSA-N -1 1 404.514 4.416 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1cc2ccccn2c1 ZINC000531053622 930898417 /nfs/dbraw/zinc/89/84/17/930898417.db2.gz KKUHRWNEAHNEMO-UHFFFAOYSA-N -1 1 419.506 4.012 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccc(O)cc3)cc2)c1 ZINC000531321728 931017302 /nfs/dbraw/zinc/01/73/02/931017302.db2.gz FYTWVQRSTNVFPQ-UHFFFAOYSA-N -1 1 424.522 4.082 20 0 HIADMM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)ccc2[nH]1 ZINC000531433691 931055938 /nfs/dbraw/zinc/05/59/38/931055938.db2.gz GOUNXGBEWIFYBU-UHFFFAOYSA-N -1 1 420.494 4.425 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3O)cc2)c1C ZINC000531756332 931183954 /nfs/dbraw/zinc/18/39/54/931183954.db2.gz OSBWBARRFZJCNF-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNc2ncnc3ccsc32)cc1 ZINC000531881951 931233643 /nfs/dbraw/zinc/23/36/43/931233643.db2.gz PTAZXQTUVONCPF-UHFFFAOYSA-N -1 1 414.487 4.243 20 0 HIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)c2)n1 ZINC000532330573 931398873 /nfs/dbraw/zinc/39/88/73/931398873.db2.gz BKYJRKDWBSJKSW-UHFFFAOYSA-N -1 1 413.499 4.435 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)c1 ZINC000532589159 931546887 /nfs/dbraw/zinc/54/68/87/931546887.db2.gz IGRQOXTYGCOGNY-UHFFFAOYSA-N -1 1 422.506 4.010 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)c(O)c3)cc2)c1 ZINC000532670680 931577505 /nfs/dbraw/zinc/57/75/05/931577505.db2.gz HTELVPMARXYXCC-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM O=C([O-])C[C@H]1CCCN(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)C1 ZINC000532710743 931602576 /nfs/dbraw/zinc/60/25/76/931602576.db2.gz CDTZSSDXNUQMAM-OAHLLOKOSA-N -1 1 402.878 4.258 20 0 HIADMM O=C([O-])C[C@@H]1CCCN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000532880876 931677392 /nfs/dbraw/zinc/67/73/92/931677392.db2.gz CQSNGENJRWWIQY-HNNXBMFYSA-N -1 1 402.878 4.258 20 0 HIADMM COc1ccc(-c2cc3[n-]c(CN4CCc5ccccc5CC4)nc(=O)c3s2)cc1 ZINC000533438772 931869570 /nfs/dbraw/zinc/86/95/70/931869570.db2.gz POCFWYMVDYIFEZ-UHFFFAOYSA-N -1 1 417.534 4.261 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1OCC ZINC000533935493 932110152 /nfs/dbraw/zinc/11/01/52/932110152.db2.gz KTPQCIHQNOQPTC-UHFFFAOYSA-N -1 1 411.430 4.099 20 0 HIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(Cc4ccccc4F)s3)cs2)n1C ZINC000533941412 932114776 /nfs/dbraw/zinc/11/47/76/932114776.db2.gz LAUKJQOTYBHIMD-UHFFFAOYSA-N -1 1 413.503 4.291 20 0 HIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000533951839 932124581 /nfs/dbraw/zinc/12/45/81/932124581.db2.gz KYWLSHFVQXBSOT-UHFFFAOYSA-N -1 1 419.462 4.194 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(Cc3ccccc3)ccc2O)c(=O)[n-]1 ZINC000533971338 932148705 /nfs/dbraw/zinc/14/87/05/932148705.db2.gz UYPJCEXZPYNCAT-UHFFFAOYSA-N -1 1 409.511 4.080 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(CO)ccc3C)ccc2C)c1 ZINC000534226718 932345792 /nfs/dbraw/zinc/34/57/92/932345792.db2.gz RKSQLNBKRZGOSH-UHFFFAOYSA-N -1 1 424.522 4.157 20 0 HIADMM CN1CC[C@@H](CNC(=O)CC2(C(=O)[O-])CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534241740 932359798 /nfs/dbraw/zinc/35/97/98/932359798.db2.gz KNKBCTHVYFAIJZ-HNAYVOBHSA-N -1 1 410.917 4.013 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)c(C(F)(F)F)c1)c1ccoc1 ZINC000534242663 932360882 /nfs/dbraw/zinc/36/08/82/932360882.db2.gz WZAQIXBNGYJTDT-UHFFFAOYSA-N -1 1 424.400 4.493 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1 ZINC000534357632 932392253 /nfs/dbraw/zinc/39/22/53/932392253.db2.gz GHVOZOJDRDVPPB-UHFFFAOYSA-N -1 1 409.486 4.008 20 0 HIADMM Cc1cc(C)c(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000534875370 932818850 /nfs/dbraw/zinc/81/88/50/932818850.db2.gz ZGXQTYRCBMKHQI-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)cc1 ZINC000535025377 932887615 /nfs/dbraw/zinc/88/76/15/932887615.db2.gz UDGVXSQCBBEOIF-UHFFFAOYSA-N -1 1 401.532 4.215 20 0 HIADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc4c3CN(c3ccccn3)C4)ccc2O1 ZINC000535235536 933032614 /nfs/dbraw/zinc/03/26/14/933032614.db2.gz YVJHNDXCMHWNOW-UHFFFAOYSA-N -1 1 421.522 4.116 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1-c1ccccc1 ZINC000535394194 933112189 /nfs/dbraw/zinc/11/21/89/933112189.db2.gz PXGSIPTXJSTAQD-UHFFFAOYSA-N -1 1 410.268 4.088 20 0 HIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1cnn(Cc2ccccc2)c1 ZINC000535653633 933296809 /nfs/dbraw/zinc/29/68/09/933296809.db2.gz AHYBBLLOELJQQV-UHFFFAOYSA-N -1 1 415.824 4.404 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(O)c2F)cc1 ZINC000535658829 933303822 /nfs/dbraw/zinc/30/38/22/933303822.db2.gz TWOONNDDTGDPIT-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC000535766357 933380278 /nfs/dbraw/zinc/38/02/78/933380278.db2.gz MEQPYZIUVNIALA-UHFFFAOYSA-N -1 1 404.451 4.276 20 0 HIADMM CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CCC1 ZINC000535889933 933470492 /nfs/dbraw/zinc/47/04/92/933470492.db2.gz WVPACOLYMSRNAG-UHFFFAOYSA-N -1 1 412.433 4.179 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)c(C)c1C ZINC000536106012 933658047 /nfs/dbraw/zinc/65/80/47/933658047.db2.gz DAXILLYWWVXPOW-UHFFFAOYSA-N -1 1 415.540 4.090 20 0 HIADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(OC)c3ncccc23)c1-c1cccs1 ZINC000562488652 945087979 /nfs/dbraw/zinc/08/79/79/945087979.db2.gz QGCGTUCZWJLADZ-UHFFFAOYSA-N -1 1 414.512 4.058 20 0 HIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(Br)cc3Cl)ccc12 ZINC000537652319 938347503 /nfs/dbraw/zinc/34/75/03/938347503.db2.gz NORPXNZJOGYLPT-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)cc1 ZINC000537653719 938347735 /nfs/dbraw/zinc/34/77/35/938347735.db2.gz WDLZIYRFJFMXRE-UHFFFAOYSA-N -1 1 405.348 4.326 20 0 HIADMM Cc1nc([C@H]([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c2ccc(Cl)cc2)no1 ZINC000537745165 938367945 /nfs/dbraw/zinc/36/79/45/938367945.db2.gz MCBYCTABZVNCKK-MRXNPFEDSA-N -1 1 412.298 4.061 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-c3ccc(Cl)cc3)s2)co1 ZINC000537790682 938376542 /nfs/dbraw/zinc/37/65/42/938376542.db2.gz JUNPCEMQPWTZEV-NSHDSACASA-N -1 1 424.931 4.061 20 0 HIADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000537930180 938418142 /nfs/dbraw/zinc/41/81/42/938418142.db2.gz CMZMBPAUPMMUMB-XJKSGUPXSA-N -1 1 408.470 4.169 20 0 HIADMM COCCOc1c(Cl)cc([N-]S(=O)(=O)c2cccc(F)c2C)cc1Cl ZINC000538013672 938461978 /nfs/dbraw/zinc/46/19/78/938461978.db2.gz CZQIFAKPEININZ-UHFFFAOYSA-N -1 1 408.278 4.267 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000538034948 938475192 /nfs/dbraw/zinc/47/51/92/938475192.db2.gz PNNIZHWZJHRFAS-QGZVFWFLSA-N -1 1 424.563 4.149 20 0 HIADMM CC(C)(C)c1ccc(SCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000538048077 938482133 /nfs/dbraw/zinc/48/21/33/938482133.db2.gz FOQGUXXITONLBB-UHFFFAOYSA-N -1 1 410.536 4.226 20 0 HIADMM O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1c(F)ccc([O-])c1F ZINC000538322943 938592640 /nfs/dbraw/zinc/59/26/40/938592640.db2.gz GIDJKKRSNLHSNY-NDEPHWFRSA-N -1 1 401.434 4.372 20 0 HIADMM Cc1ccc(Cl)c2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)nc12 ZINC000538415442 938615281 /nfs/dbraw/zinc/61/52/81/938615281.db2.gz IWXNFAPEAPJQCA-UHFFFAOYSA-N -1 1 421.906 4.119 20 0 HIADMM Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c1F ZINC000538463685 938628036 /nfs/dbraw/zinc/62/80/36/938628036.db2.gz CISIPKMGLCSYJX-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 ZINC000539108875 938804284 /nfs/dbraw/zinc/80/42/84/938804284.db2.gz KRPSQGVRUDENOO-UHFFFAOYSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cccc(Br)c2C)n[nH]c1-c1ccccc1 ZINC000539112444 938804761 /nfs/dbraw/zinc/80/47/61/938804761.db2.gz GXLIUTUITJLZOU-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000539150804 938811685 /nfs/dbraw/zinc/81/16/85/938811685.db2.gz YFDNPYSQRDCGNK-UHFFFAOYSA-N -1 1 419.865 4.165 20 0 HIADMM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)c2c1 ZINC000539151486 938811926 /nfs/dbraw/zinc/81/19/26/938811926.db2.gz CNRZXXHYLDAPDL-UHFFFAOYSA-N -1 1 413.474 4.184 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000539153244 938812385 /nfs/dbraw/zinc/81/23/85/938812385.db2.gz OCOBYNBRZQOYIZ-UHFFFAOYSA-N -1 1 422.865 4.021 20 0 HIADMM Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1F ZINC000539565176 938880914 /nfs/dbraw/zinc/88/09/14/938880914.db2.gz KYPDIUJXZXPAGO-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000539844910 938955872 /nfs/dbraw/zinc/95/58/72/938955872.db2.gz UISOFNLWDLKPSD-FQEVSTJZSA-N -1 1 423.419 4.295 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ncccc1C(F)(F)F ZINC000539961158 938981777 /nfs/dbraw/zinc/98/17/77/938981777.db2.gz LBYADBRZRHLGBU-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)cc1 ZINC000540214612 939131559 /nfs/dbraw/zinc/13/15/59/939131559.db2.gz GEDIWVLTQBNWDC-UHFFFAOYSA-N -1 1 415.540 4.251 20 0 HIADMM Cc1ccc(SCc2cccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)c2)c(C)c1 ZINC000540422630 939242990 /nfs/dbraw/zinc/24/29/90/939242990.db2.gz CGVFJWCQUOMODC-IBGZPJMESA-N -1 1 407.543 4.129 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000540464743 939263154 /nfs/dbraw/zinc/26/31/54/939263154.db2.gz XBXJWPKFZDCFJV-UHFFFAOYSA-N -1 1 418.371 4.183 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1C ZINC000540694868 939341770 /nfs/dbraw/zinc/34/17/70/939341770.db2.gz IFRLEXZZVPXXBI-UHFFFAOYSA-N -1 1 409.467 4.316 20 0 HIADMM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCO1 ZINC000540739379 939354094 /nfs/dbraw/zinc/35/40/94/939354094.db2.gz VKSCIGRBKTZULU-ZJUUUORDSA-N -1 1 416.790 4.036 20 0 HIADMM CSc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000540788524 939372560 /nfs/dbraw/zinc/37/25/60/939372560.db2.gz GYBXZOSOOZUCPY-UHFFFAOYSA-N -1 1 412.536 4.391 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2nc(CC(C)(C)C)cs2)c1 ZINC000541707767 939610941 /nfs/dbraw/zinc/61/09/41/939610941.db2.gz OLNSVBFUUOXCMG-UHFFFAOYSA-N -1 1 414.487 4.238 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)c(C)c1F ZINC000542094411 939710528 /nfs/dbraw/zinc/71/05/28/939710528.db2.gz SVECYHBYZRXSJD-HNNXBMFYSA-N -1 1 418.490 4.238 20 0 HIADMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1F ZINC000542237401 939770079 /nfs/dbraw/zinc/77/00/79/939770079.db2.gz DPPZHCLAUYFGOI-UHFFFAOYSA-N -1 1 406.863 4.099 20 0 HIADMM C[C@H]1CN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC(C)(C)C1 ZINC000542370990 939809377 /nfs/dbraw/zinc/80/93/77/939809377.db2.gz ZOOYELDSHGSESR-QGZVFWFLSA-N -1 1 415.559 4.065 20 0 HIADMM Cc1nc(-c2ccc(N3CCCc4c5cccc(F)c5[nH]c4C3)nc2)[n-]c(=O)c1C ZINC000543088529 939936097 /nfs/dbraw/zinc/93/60/97/939936097.db2.gz GKIFCQXGTAKDTR-UHFFFAOYSA-N -1 1 403.461 4.434 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCCOC(C)C)ccc2C)c1 ZINC000543261993 940012360 /nfs/dbraw/zinc/01/23/60/940012360.db2.gz HRWQYWSRRTZQRF-UHFFFAOYSA-N -1 1 404.532 4.248 20 0 HIADMM CC(C)(C)[C@@H]1CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000543300320 940022147 /nfs/dbraw/zinc/02/21/47/940022147.db2.gz UKKSXZHDDDJDHE-GOSISDBHSA-N -1 1 415.559 4.065 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CCCCS2)c1 ZINC000543326865 940032325 /nfs/dbraw/zinc/03/23/25/940032325.db2.gz QJXHZUGLLONOBN-KRWDZBQOSA-N -1 1 418.584 4.120 20 0 HIADMM CN(C[C@H]1CC=CCC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000543353297 940039435 /nfs/dbraw/zinc/03/94/35/940039435.db2.gz HYKFKTJWBWHEJH-HNNXBMFYSA-N -1 1 420.481 4.194 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1 ZINC000543832701 940202676 /nfs/dbraw/zinc/20/26/76/940202676.db2.gz JYZNKYMBJIKFKL-UZUQRXQVSA-N -1 1 412.555 4.448 20 0 HIADMM CSc1nsc([N-]C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)n1 ZINC000543955304 940268154 /nfs/dbraw/zinc/26/81/54/940268154.db2.gz PJNFDLACAFTNIG-UHFFFAOYSA-N -1 1 400.407 4.495 20 0 HIADMM COCCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000544732066 940508282 /nfs/dbraw/zinc/50/82/82/940508282.db2.gz XVLUYWZMXBKFDG-UHFFFAOYSA-N -1 1 410.923 4.142 20 0 HIADMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccccc3Cn3ccnc3)[nH]n2)cc1C ZINC000544742857 940509806 /nfs/dbraw/zinc/50/98/06/940509806.db2.gz QBACKXFNLLQFDR-UHFFFAOYSA-N -1 1 421.526 4.048 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N(Cc1ccco1)C1CCCC1 ZINC000544852930 940519367 /nfs/dbraw/zinc/51/93/67/940519367.db2.gz RHDREMXFQMDSEI-UHFFFAOYSA-N -1 1 411.239 4.175 20 0 HIADMM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(I)c([O-])c1 ZINC000544863042 940519964 /nfs/dbraw/zinc/51/99/64/940519964.db2.gz LIMUMEPQVONATI-UHFFFAOYSA-N -1 1 419.621 4.062 20 0 HIADMM CC(C)N(Cc1cccnc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544886648 940521761 /nfs/dbraw/zinc/52/17/61/940521761.db2.gz JNMPQHDQIQIWIG-UHFFFAOYSA-N -1 1 424.526 4.325 20 0 HIADMM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)CO2 ZINC000544889895 940522107 /nfs/dbraw/zinc/52/21/07/940522107.db2.gz JHSYRTXSZDBLSM-HXUWFJFHSA-N -1 1 423.494 4.051 20 0 HIADMM Cc1ccc(C)c(SCc2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)c1 ZINC000544903959 940523477 /nfs/dbraw/zinc/52/34/77/940523477.db2.gz NIDPYRDQJKVUIA-CYBMUJFWSA-N -1 1 409.558 4.080 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(CC(C)C)no3)c2)cc1 ZINC000544925259 940525808 /nfs/dbraw/zinc/52/58/08/940525808.db2.gz ZVCNNFSRIZUNRD-UHFFFAOYSA-N -1 1 401.488 4.135 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc(-c3ccccn3)no2)cc1 ZINC000544930432 940526254 /nfs/dbraw/zinc/52/62/54/940526254.db2.gz VNNVMNAGPGVYOC-UHFFFAOYSA-N -1 1 412.858 4.253 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2ccc(OC(C)C)cc2)no1 ZINC000545060430 940538221 /nfs/dbraw/zinc/53/82/21/940538221.db2.gz YTQWXDBCJSXMSF-UHFFFAOYSA-N -1 1 417.469 4.175 20 0 HIADMM Cc1csc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)n2)n1 ZINC000545088671 940541356 /nfs/dbraw/zinc/54/13/56/940541356.db2.gz BUWAJHBCXAQLFN-UHFFFAOYSA-N -1 1 416.459 4.108 20 0 HIADMM COC1(c2noc(-c3ccc(S(=O)(=O)[N-]c4cccc(C)c4C)cc3)n2)CCC1 ZINC000545102748 940542698 /nfs/dbraw/zinc/54/26/98/940542698.db2.gz QFOVBSRNEZKABP-UHFFFAOYSA-N -1 1 413.499 4.180 20 0 HIADMM COCCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000545371025 940566236 /nfs/dbraw/zinc/56/62/36/940566236.db2.gz NGMBQGNHLJKUFJ-UHFFFAOYSA-N -1 1 424.950 4.450 20 0 HIADMM CN(CCCCc1ccccc1)C(=O)c1ccc(I)c([O-])c1 ZINC000545478637 940571552 /nfs/dbraw/zinc/57/15/52/940571552.db2.gz QXRUYIFRODUWER-UHFFFAOYSA-N -1 1 409.267 4.092 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)CC[C@H]1c1ccccc1 ZINC000545494442 940571995 /nfs/dbraw/zinc/57/19/95/940571995.db2.gz RRILNXFBBBJUKZ-CZUORRHYSA-N -1 1 421.278 4.263 20 0 HIADMM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545510560 940572496 /nfs/dbraw/zinc/57/24/96/940572496.db2.gz NWKKGXPNUPVUOF-QGZVFWFLSA-N -1 1 421.522 4.466 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@H]1c1ccccn1 ZINC000545514323 940572725 /nfs/dbraw/zinc/57/27/25/940572725.db2.gz PNQRVCUOJFYJHG-NRFANRHFSA-N -1 1 422.510 4.251 20 0 HIADMM COCc1cccc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)c1 ZINC000545634070 940578255 /nfs/dbraw/zinc/57/82/55/940578255.db2.gz SWAJCZWRFYORHP-UHFFFAOYSA-N -1 1 421.478 4.351 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc(Cl)c1[O-] ZINC000545876914 940648502 /nfs/dbraw/zinc/64/85/02/940648502.db2.gz PMVSVFICEAKDAV-UHFFFAOYSA-N -1 1 418.877 4.222 20 0 HIADMM CCN(C(=O)c1ccc(I)c([O-])c1)c1cccc(Cl)c1 ZINC000546158596 940717095 /nfs/dbraw/zinc/71/70/95/940717095.db2.gz RMRMWTJTUDCDSQ-UHFFFAOYSA-N -1 1 401.631 4.317 20 0 HIADMM C[C@H](CCc1ccco1)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546224081 940735222 /nfs/dbraw/zinc/73/52/22/940735222.db2.gz YHCXMDXHIQNFBG-MRXNPFEDSA-N -1 1 413.499 4.223 20 0 HIADMM Cc1ccnc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)c1 ZINC000546293384 940767989 /nfs/dbraw/zinc/76/79/89/940767989.db2.gz ICKLTVTZWFMUIB-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000546295040 940768697 /nfs/dbraw/zinc/76/86/97/940768697.db2.gz RWJWBBKMZADXKQ-QMMMGPOBSA-N -1 1 404.300 4.144 20 0 HIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H]2CCC[C@@H]21 ZINC000564018269 945350969 /nfs/dbraw/zinc/35/09/69/945350969.db2.gz GCEDAXDSJMQVKR-PMACEKPBSA-N -1 1 416.518 4.277 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(CCc4ccco4)no3)cc2)cc1 ZINC000546492585 940835294 /nfs/dbraw/zinc/83/52/94/940835294.db2.gz PFRNJBCNXACHFT-UHFFFAOYSA-N -1 1 409.467 4.224 20 0 HIADMM Cc1csc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)n2)n1 ZINC000546505571 940838715 /nfs/dbraw/zinc/83/87/15/940838715.db2.gz VYCLNRZPPLDRGA-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)c(C)c2)cc1C(=O)N(C)C ZINC000546555479 940851622 /nfs/dbraw/zinc/85/16/22/940851622.db2.gz HMBLRERJFQEXBH-UHFFFAOYSA-N -1 1 424.522 4.173 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H](c3ccn(C)n3)c3ccc(Cl)cc3)nc2)[n-]c(=O)c1C ZINC000546577354 940856767 /nfs/dbraw/zinc/85/67/67/940856767.db2.gz FLKXEEWJHZKUNS-HXUWFJFHSA-N -1 1 420.904 4.449 20 0 HIADMM CCOc1cc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cc(Cl)c1[O-] ZINC000546583858 940857872 /nfs/dbraw/zinc/85/78/72/940857872.db2.gz ZVQRZPNWKPWACP-UHFFFAOYSA-N -1 1 403.784 4.315 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000546671247 940867885 /nfs/dbraw/zinc/86/78/85/940867885.db2.gz MKENHJNRSTYSSK-LEWJYISDSA-N -1 1 410.470 4.369 20 0 HIADMM CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(I)c([O-])c1 ZINC000546920587 940913502 /nfs/dbraw/zinc/91/35/02/940913502.db2.gz BEYSKTYBFALZFG-UHFFFAOYSA-N -1 1 414.218 4.209 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H]1CCc2ccccc2C1 ZINC000546927267 940915390 /nfs/dbraw/zinc/91/53/90/940915390.db2.gz VZQVFLDUDWXUOF-NRFANRHFSA-N -1 1 421.522 4.166 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c(Cl)c1 ZINC000564059384 945366657 /nfs/dbraw/zinc/36/66/57/945366657.db2.gz IQLUHKPVFUXZFR-UHFFFAOYSA-N -1 1 404.875 4.123 20 0 HIADMM CCSCc1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n1 ZINC000547137073 941008066 /nfs/dbraw/zinc/00/80/66/941008066.db2.gz GUWYZUIQKMXWNT-UHFFFAOYSA-N -1 1 403.529 4.407 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(CSCC)no3)c2)cc1 ZINC000547144794 941010520 /nfs/dbraw/zinc/01/05/20/941010520.db2.gz MEYHILGYHFTJIP-UHFFFAOYSA-N -1 1 419.528 4.189 20 0 HIADMM CCS[C@@H](C)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)n1 ZINC000547201511 941030354 /nfs/dbraw/zinc/03/03/54/941030354.db2.gz VKYIIXCWLAFGAQ-ZDUSSCGKSA-N -1 1 419.528 4.360 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)NC2C3CC4CC(C3)CC2C4)nc1-c1ccccc1 ZINC000547347329 941057668 /nfs/dbraw/zinc/05/76/68/941057668.db2.gz XHQSVUBEYOLHIH-UHFFFAOYSA-N -1 1 409.555 4.191 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC2(CC2)c2ccccc21 ZINC000548149047 941089087 /nfs/dbraw/zinc/08/90/87/941089087.db2.gz ZWFAAYZBSYXGER-UHFFFAOYSA-N -1 1 404.491 4.179 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)NCC1CC(C)(C)C1 ZINC000548374003 941098284 /nfs/dbraw/zinc/09/82/84/941098284.db2.gz XVKPRSJXJWAPRK-UHFFFAOYSA-N -1 1 415.559 4.065 20 0 HIADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2oc3c(c2C)c(C)ccc3C)n[n-]1 ZINC000548394817 941099560 /nfs/dbraw/zinc/09/95/60/941099560.db2.gz MFFMWPSCHBVTCX-OAHLLOKOSA-N -1 1 412.490 4.170 20 0 HIADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2oc3c(c2C)c(C)ccc3C)[n-]1 ZINC000548394817 941099564 /nfs/dbraw/zinc/09/95/64/941099564.db2.gz MFFMWPSCHBVTCX-OAHLLOKOSA-N -1 1 412.490 4.170 20 0 HIADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2oc3c(c2C)c(C)ccc3C)n1 ZINC000548394817 941099567 /nfs/dbraw/zinc/09/95/67/941099567.db2.gz MFFMWPSCHBVTCX-OAHLLOKOSA-N -1 1 412.490 4.170 20 0 HIADMM O=C([O-])[C@@H](c1ccccc1)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000548580591 941113512 /nfs/dbraw/zinc/11/35/12/941113512.db2.gz VLHPNCOSHMSXBN-HSZRJFAPSA-N -1 1 415.493 4.388 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnc(C)nc2C2CC2)cc1 ZINC000549732515 941205943 /nfs/dbraw/zinc/20/59/43/941205943.db2.gz IELAJJINTBUPPC-UHFFFAOYSA-N -1 1 422.510 4.024 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cnn(C(C)C)c3)ccc2C)c1 ZINC000550961302 941387020 /nfs/dbraw/zinc/38/70/20/941387020.db2.gz AAJFZFZXVOSGQZ-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCC3)cc1)c1ccc(-c2ccccc2)cc1 ZINC000551175428 941422157 /nfs/dbraw/zinc/42/21/57/941422157.db2.gz UQIDJKQPMISBRS-UHFFFAOYSA-N -1 1 416.506 4.359 20 0 HIADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000551458049 941483730 /nfs/dbraw/zinc/48/37/30/941483730.db2.gz OIEINTCEYLZQLK-UHFFFAOYSA-N -1 1 416.396 4.386 20 0 HIADMM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1c(Cl)ccc(F)c1F ZINC000551478019 941487777 /nfs/dbraw/zinc/48/77/77/941487777.db2.gz WMNPWCSJMFIBOL-CQSZACIVSA-N -1 1 413.833 4.147 20 0 HIADMM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)C1 ZINC000552025695 941570069 /nfs/dbraw/zinc/57/00/69/941570069.db2.gz HYZHXFHTEVZKGT-JTQLQIEISA-N -1 1 417.731 4.031 20 0 HIADMM Cc1nn(C)c2sc(C(=O)Nc3c([O-])cc(Br)cc3Cl)cc12 ZINC000552197032 941599509 /nfs/dbraw/zinc/59/95/09/941599509.db2.gz KTKRXGHHSMWZOJ-UHFFFAOYSA-N -1 1 400.685 4.317 20 0 HIADMM COc1cc(CCC(=O)Nc2c([O-])cc(Br)cc2Cl)cc(OC)c1 ZINC000552209810 941603535 /nfs/dbraw/zinc/60/35/35/941603535.db2.gz XMHPMIPUSPFMLX-UHFFFAOYSA-N -1 1 414.683 4.397 20 0 HIADMM C[C@@H]1CC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000552411395 941662213 /nfs/dbraw/zinc/66/22/13/941662213.db2.gz YRRWKTQJJIVEPF-PIGZYNQJSA-N -1 1 413.326 4.323 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000553206155 941849030 /nfs/dbraw/zinc/84/90/30/941849030.db2.gz RSKLSKQGACZGOI-ZIAGYGMSSA-N -1 1 411.449 4.297 20 0 HIADMM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1OC ZINC000553774145 941964871 /nfs/dbraw/zinc/96/48/71/941964871.db2.gz XLTOSMBZKYCRET-SNVBAGLBSA-N -1 1 405.850 4.065 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC3(F)CCC3)cc2)cc1C ZINC000554069071 942029023 /nfs/dbraw/zinc/02/90/23/942029023.db2.gz JBMIRXQHMRWOGZ-UHFFFAOYSA-N -1 1 404.507 4.116 20 0 HIADMM Cc1ccc(-c2csc3ncnc(Oc4ccc([N-]S(C)(=O)=O)nc4)c23)cc1 ZINC000554685200 942198378 /nfs/dbraw/zinc/19/83/78/942198378.db2.gz FUVXUEVKWNYNBG-UHFFFAOYSA-N -1 1 412.496 4.226 20 0 HIADMM Cc1c(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000555106337 942386982 /nfs/dbraw/zinc/38/69/82/942386982.db2.gz PYLPSSVWXPPSKJ-UHFFFAOYSA-N -1 1 405.845 4.041 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000555287600 942463093 /nfs/dbraw/zinc/46/30/93/942463093.db2.gz PSAOBHOVRBODRQ-SFHVURJKSA-N -1 1 403.265 4.461 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cc(F)ccc1Cl ZINC000555728848 942714794 /nfs/dbraw/zinc/71/47/94/942714794.db2.gz HYYYURXHDAZYCY-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM COc1ccc2c(c1)CCC[C@]2(NCc1ccc(F)cc1Br)C(=O)[O-] ZINC000556327845 942842188 /nfs/dbraw/zinc/84/21/88/942842188.db2.gz CINTZXVPFZDRNE-LJQANCHMSA-N -1 1 408.267 4.003 20 0 HIADMM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1c([O-])cc(Br)cc1Cl ZINC000556846366 942939001 /nfs/dbraw/zinc/93/90/01/942939001.db2.gz SZRCRMIPVJAUBP-UHFFFAOYSA-N -1 1 424.682 4.351 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3)c2)cc1F ZINC000556952235 942978406 /nfs/dbraw/zinc/97/84/06/942978406.db2.gz KRIGKKFCPZEFMB-IRLDBZIGSA-N -1 1 424.497 4.221 20 0 HIADMM Cc1ccc(NC(=O)c2cncc([O-])c2)cc1Oc1ncccc1Br ZINC000557039854 943002150 /nfs/dbraw/zinc/00/21/50/943002150.db2.gz HMFMJZKROVKUKO-UHFFFAOYSA-N -1 1 400.232 4.298 20 0 HIADMM CC(C)Oc1cccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000557484586 943161190 /nfs/dbraw/zinc/16/11/90/943161190.db2.gz MZNYDDKUBYOIJP-UHFFFAOYSA-N -1 1 424.522 4.456 20 0 HIADMM Cc1ccc(NC(=O)c2c[nH]c(C(F)(F)F)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000557523545 943189811 /nfs/dbraw/zinc/18/98/11/943189811.db2.gz OGLFBLRBMGCMLG-UHFFFAOYSA-N -1 1 423.416 4.395 20 0 HIADMM COc1ccc(NC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000558382294 943537514 /nfs/dbraw/zinc/53/75/14/943537514.db2.gz QXMIUTAIMJVMRZ-HNAYVOBHSA-N -1 1 417.531 4.072 20 0 HIADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)cc2)c1 ZINC000558586201 943609113 /nfs/dbraw/zinc/60/91/13/943609113.db2.gz GCOUWKPAWROOIZ-UHFFFAOYSA-N -1 1 415.442 4.134 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c(F)c1 ZINC000558792919 943665391 /nfs/dbraw/zinc/66/53/91/943665391.db2.gz VDXDKHKDHMBSOT-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM CCN(C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CCCC1 ZINC000560828693 944348884 /nfs/dbraw/zinc/34/88/84/944348884.db2.gz ZKRPVJSFPDEVRH-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM Cc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1C ZINC000560957533 944375982 /nfs/dbraw/zinc/37/59/82/944375982.db2.gz RZESFDWSZUPWFV-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM CCCCN(C)S(=O)(=O)c1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000562090607 944933540 /nfs/dbraw/zinc/93/35/40/944933540.db2.gz BQFWOPNWKSQZCJ-UHFFFAOYSA-N -1 1 411.911 4.110 20 0 HIADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000562164289 944992481 /nfs/dbraw/zinc/99/24/81/944992481.db2.gz RKUKXUSSYKDFKQ-RYUDHWBXSA-N -1 1 409.349 4.449 20 0 HIADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000562164287 944992518 /nfs/dbraw/zinc/99/25/18/944992518.db2.gz RKUKXUSSYKDFKQ-NWDGAFQWSA-N -1 1 409.349 4.449 20 0 HIADMM O=C([N-]c1nnc(C2CC2)s1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000562291737 945054297 /nfs/dbraw/zinc/05/42/97/945054297.db2.gz XSCGSIOPZCEWIO-UHFFFAOYSA-N -1 1 409.240 4.224 20 0 HIADMM O=c1cc(C(F)F)nc(SCc2nnc(-c3ccccc3Br)o2)[n-]1 ZINC000564392356 945551373 /nfs/dbraw/zinc/55/13/73/945551373.db2.gz YXMLBFGJKNXLQQ-UHFFFAOYSA-N -1 1 415.219 4.225 20 0 HIADMM CO[C@@](C)(c1noc(-c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1)C1CC1 ZINC000564451748 945597328 /nfs/dbraw/zinc/59/73/28/945597328.db2.gz BJWRBANISMJCNK-OAQYLSRUSA-N -1 1 413.499 4.117 20 0 HIADMM CO[C@H](c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n1)C(C)C ZINC000564630022 945716461 /nfs/dbraw/zinc/71/64/61/945716461.db2.gz WGJKRWIQRPYDNO-IBGZPJMESA-N -1 1 415.515 4.498 20 0 HIADMM Cc1[nH]nc([N-]S(=O)(=O)Cc2ccc(F)cc2)c1-c1cccc(Br)c1 ZINC000564760821 945752140 /nfs/dbraw/zinc/75/21/40/945752140.db2.gz RLZDERJBNAMBTP-UHFFFAOYSA-N -1 1 424.295 4.229 20 0 HIADMM O=C(Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1)Nc1ccccc1F ZINC000566327015 946002185 /nfs/dbraw/zinc/00/21/85/946002185.db2.gz NCTSCPOZXPQAQC-UHFFFAOYSA-N -1 1 400.356 4.243 20 0 HIADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ccccc1-c1nnc2n1CCCCC2 ZINC000566716946 946082329 /nfs/dbraw/zinc/08/23/29/946082329.db2.gz TYFLWIURHHFSSM-UHFFFAOYSA-N -1 1 416.934 4.267 20 0 HIADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000566789822 946100024 /nfs/dbraw/zinc/10/00/24/946100024.db2.gz KSOHJESLBTVGOW-OAHLLOKOSA-N -1 1 404.507 4.325 20 0 HIADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cc1 ZINC000566833619 946125469 /nfs/dbraw/zinc/12/54/69/946125469.db2.gz BYCVYWSGVQBUTO-UHFFFAOYSA-N -1 1 415.433 4.043 20 0 HIADMM CCOc1cc(-c2noc([C@H]3C[C@@H](C(C)=O)C3(C)C)n2)cc(Br)c1[O-] ZINC000567025093 946220615 /nfs/dbraw/zinc/22/06/15/946220615.db2.gz FXFLZBXBLVDYFW-NWDGAFQWSA-N -1 1 409.280 4.322 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Nc3ccccc3F)cc2o1 ZINC000567268801 946283733 /nfs/dbraw/zinc/28/37/33/946283733.db2.gz FIJCWQGVKBKMMZ-UHFFFAOYSA-N -1 1 417.393 4.356 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)ccc2o1 ZINC000567976286 946437412 /nfs/dbraw/zinc/43/74/12/946437412.db2.gz LZFFWFUGQYVCPH-UHFFFAOYSA-N -1 1 400.378 4.102 20 0 HIADMM COc1cc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc(Cl)c1[O-] ZINC000568141963 946480269 /nfs/dbraw/zinc/48/02/69/946480269.db2.gz HGMBSLQAXWUKPK-UHFFFAOYSA-N -1 1 414.861 4.484 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000569438402 946875577 /nfs/dbraw/zinc/87/55/77/946875577.db2.gz HQDFMNSZHNYXAO-LJQANCHMSA-N -1 1 421.906 4.462 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000570425779 947236937 /nfs/dbraw/zinc/23/69/37/947236937.db2.gz GEWSIQAODFAPOP-CQSZACIVSA-N -1 1 406.461 4.154 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)ccc2C)c1 ZINC000571476297 947664354 /nfs/dbraw/zinc/66/43/54/947664354.db2.gz BXYXWBKKMOSAFO-UHFFFAOYSA-N -1 1 412.511 4.456 20 0 HIADMM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000571506971 947685081 /nfs/dbraw/zinc/68/50/81/947685081.db2.gz BXVXDPZKPZBVPA-UHFFFAOYSA-N -1 1 402.690 4.406 20 0 HIADMM C[C@@H]1CC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000571786044 947781569 /nfs/dbraw/zinc/78/15/69/947781569.db2.gz UBLRVXNSMAWBOU-PXAZEXFGSA-N -1 1 412.433 4.035 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCS[C@@H](C)[C@@H]3C)c2)c1 ZINC000572161009 947852548 /nfs/dbraw/zinc/85/25/48/947852548.db2.gz SMNQIBKNEPPDFL-IRXDYDNUSA-N -1 1 418.584 4.070 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000572670934 947975688 /nfs/dbraw/zinc/97/56/88/947975688.db2.gz IQBDULBVAHQVLM-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM CS(=O)(=O)[N-]c1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c32)cn1 ZINC000572914116 948038391 /nfs/dbraw/zinc/03/83/91/948038391.db2.gz CCCPJJPQNUZYCH-UHFFFAOYSA-N -1 1 416.459 4.056 20 0 HIADMM O=C(Cc1cccc(Cl)c1F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000573172016 948101131 /nfs/dbraw/zinc/10/11/31/948101131.db2.gz FOWRSZOBMHAQMS-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000573472297 948210878 /nfs/dbraw/zinc/21/08/78/948210878.db2.gz PWIZOBPGOJFOPP-UHFFFAOYSA-N -1 1 413.359 4.253 20 0 HIADMM O=C1[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)CCN1c1ccc(Cl)cc1Cl ZINC000573766530 948293941 /nfs/dbraw/zinc/29/39/41/948293941.db2.gz ZBCCKLDHEQDCOW-LLVKDONJSA-N -1 1 406.241 4.324 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)[C@@H]1COc2ccccc21 ZINC000574020383 948350028 /nfs/dbraw/zinc/35/00/28/948350028.db2.gz SKJXFCGDRMYLES-SECBINFHSA-N -1 1 413.065 4.032 20 0 HIADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c1F ZINC000574209883 948387849 /nfs/dbraw/zinc/38/78/49/948387849.db2.gz YMRKWVPZCBNQSF-UHFFFAOYSA-N -1 1 403.834 4.329 20 0 HIADMM O=S(=O)([N-]c1cccc(Nc2nc3ccccc3s2)c1)c1ccc2c(c1)COC2 ZINC000574537804 948465337 /nfs/dbraw/zinc/46/53/37/948465337.db2.gz LUZYPMRAAANEJF-UHFFFAOYSA-N -1 1 423.519 4.871 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2COC(C)(C)CC)c1 ZINC000574627044 948494626 /nfs/dbraw/zinc/49/46/26/948494626.db2.gz OEFFVDKSCVOGJP-UHFFFAOYSA-N -1 1 418.559 4.285 20 0 HIADMM C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC1 ZINC000574923614 948553346 /nfs/dbraw/zinc/55/33/46/948553346.db2.gz MFXDAZCLXMBLMT-OAHLLOKOSA-N -1 1 406.935 4.403 20 0 HIADMM CC(C)[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCS1 ZINC000575373065 948661654 /nfs/dbraw/zinc/66/16/54/948661654.db2.gz ARZRVMFEESPHHD-LJQANCHMSA-N -1 1 419.572 4.093 20 0 HIADMM COc1cc(F)c(F)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000575913788 948780908 /nfs/dbraw/zinc/78/09/08/948780908.db2.gz KVKJCYPDMLXTAL-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000575981718 948807061 /nfs/dbraw/zinc/80/70/61/948807061.db2.gz JKFCHTXXRLPWCB-AWEZNQCLSA-N -1 1 415.415 4.310 20 0 HIADMM O=C(c1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000089780732 569264229 /nfs/dbraw/zinc/26/42/29/569264229.db2.gz DOXPMYHBRJXMNA-AWEZNQCLSA-N -1 1 417.391 4.031 20 0 HIADMM CC1=C(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000435934209 861195021 /nfs/dbraw/zinc/19/50/21/861195021.db2.gz IJHHXXLHEAPNCF-UHFFFAOYSA-N -1 1 422.909 4.462 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000435936173 861197853 /nfs/dbraw/zinc/19/78/53/861197853.db2.gz MACZNFYQWSNJQI-AEFFLSMTSA-N -1 1 420.488 4.077 20 0 HIADMM CC1=C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000436009689 861300162 /nfs/dbraw/zinc/30/01/62/861300162.db2.gz IIGKNLILCASBKU-AWEZNQCLSA-N -1 1 404.919 4.179 20 0 HIADMM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436011235 861303484 /nfs/dbraw/zinc/30/34/84/861303484.db2.gz AONYCYOBKMYFQY-UHFFFAOYSA-N -1 1 424.803 4.001 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)ccc1Cl ZINC000436023522 861317303 /nfs/dbraw/zinc/31/73/03/861317303.db2.gz PBFKYRQMYQWLSW-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c1 ZINC000436025437 861320259 /nfs/dbraw/zinc/32/02/59/861320259.db2.gz VTDVSKKIOPQVPP-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c(Cl)c1 ZINC000436154011 861453621 /nfs/dbraw/zinc/45/36/21/861453621.db2.gz MOAXQEKRBOAKTA-UHFFFAOYSA-N -1 1 405.907 4.173 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 ZINC000436196701 861496502 /nfs/dbraw/zinc/49/65/02/861496502.db2.gz JEQXYCOIUQSTIU-ZDUSSCGKSA-N -1 1 415.515 4.296 20 0 HIADMM CCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)n1 ZINC000436196836 861496646 /nfs/dbraw/zinc/49/66/46/861496646.db2.gz ISKWATHZQXSSQO-UHFFFAOYSA-N -1 1 404.492 4.317 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000436203944 861504720 /nfs/dbraw/zinc/50/47/20/861504720.db2.gz KTDXPLCKNGWLCJ-JTQLQIEISA-N -1 1 404.492 4.127 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000005109704 845082606 /nfs/dbraw/zinc/08/26/06/845082606.db2.gz ACGHADJCVXBGPH-UHFFFAOYSA-N -1 1 400.422 4.115 20 0 HIADMM CCc1cc2c(COC(=O)c3oc4ccccc4c3COC)cc(=O)oc2cc1[O-] ZINC000005200284 845088940 /nfs/dbraw/zinc/08/89/40/845088940.db2.gz IROCQCWDERHVKB-UHFFFAOYSA-N -1 1 408.406 4.311 20 0 HIADMM O=c1cc(CSc2nnc(C3CC3)n2Cc2ccccc2)c2ccc([O-])cc2o1 ZINC000006532001 845207386 /nfs/dbraw/zinc/20/73/86/845207386.db2.gz RJAAVKCCRIXJBB-UHFFFAOYSA-N -1 1 405.479 4.308 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3F)cc2)c1 ZINC000006981747 845230193 /nfs/dbraw/zinc/23/01/93/845230193.db2.gz BVSHOPOPHNOSDJ-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1 ZINC000007055561 845242590 /nfs/dbraw/zinc/24/25/90/845242590.db2.gz LVSFJPUPEJPTBW-MRXNPFEDSA-N -1 1 424.588 4.030 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cs1 ZINC000007109236 845254489 /nfs/dbraw/zinc/25/44/89/845254489.db2.gz KTQALZGHHSKYCW-UHFFFAOYSA-N -1 1 409.876 4.481 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3CCC(C)CC3)c2)c1 ZINC000007240320 845293156 /nfs/dbraw/zinc/29/31/56/845293156.db2.gz KJAKGRHALYCSBS-UHFFFAOYSA-N -1 1 400.544 4.447 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(F)c3)c2)cc1 ZINC000008033370 845464733 /nfs/dbraw/zinc/46/47/33/845464733.db2.gz RDBGSMCCPADILX-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(Cl)c2)cc1 ZINC000008033270 845464788 /nfs/dbraw/zinc/46/47/88/845464788.db2.gz OSILZSWKZCVRTP-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM O=C(NOCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000008096646 845474919 /nfs/dbraw/zinc/47/49/19/845474919.db2.gz AILYKXLOHILYHD-UHFFFAOYSA-N -1 1 416.886 4.002 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1nc(-c2ccccc2)co1)c1nc(C)cs1 ZINC000436265527 861575927 /nfs/dbraw/zinc/57/59/27/861575927.db2.gz YNQNUGRMHNSSBN-INIZCTEOSA-N -1 1 402.497 4.115 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1nc(-c2ccccn2)cs1 ZINC000009657983 845579805 /nfs/dbraw/zinc/57/98/05/845579805.db2.gz ALWLOUSURQJBJQ-UHFFFAOYSA-N -1 1 414.541 4.216 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@H]1c1ccccc1 ZINC000009894980 845600694 /nfs/dbraw/zinc/60/06/94/845600694.db2.gz XSAFUIONSQYOFU-QFIPXVFZSA-N -1 1 406.507 4.465 20 0 HIADMM O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccc([O-])cc1O ZINC000010212586 845633313 /nfs/dbraw/zinc/63/33/13/845633313.db2.gz XQYQCYMGMYECGP-UHFFFAOYSA-N -1 1 421.453 4.460 20 0 HIADMM Cc1cnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000010556627 845673971 /nfs/dbraw/zinc/67/39/71/845673971.db2.gz XOHUQZSPKKIVKQ-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)s1 ZINC000010556683 845674573 /nfs/dbraw/zinc/67/45/73/845674573.db2.gz DIHDAZKDYCMLMR-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM O=C(CSc1ncc(-c2ccc(F)cc2)o1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000010715017 845697299 /nfs/dbraw/zinc/69/72/99/845697299.db2.gz PTZXNPOUMLHMSM-UHFFFAOYSA-N -1 1 422.384 4.131 20 0 HIADMM CCOc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)cc1OC ZINC000011871281 845839042 /nfs/dbraw/zinc/83/90/42/845839042.db2.gz IFYQKJDWKOAXHU-UHFFFAOYSA-N -1 1 418.906 4.307 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c(Cl)cc1Cl ZINC000013341765 845915077 /nfs/dbraw/zinc/91/50/77/845915077.db2.gz ZKVRXRMMVZKCQI-UHFFFAOYSA-N -1 1 412.197 4.094 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000014097786 845925249 /nfs/dbraw/zinc/92/52/49/845925249.db2.gz DLANUBBBVJVMPN-UHFFFAOYSA-N -1 1 421.733 4.284 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C(F)(F)F)c1 ZINC000014205455 845931106 /nfs/dbraw/zinc/93/11/06/845931106.db2.gz QUSNNEXHPTZHBB-UHFFFAOYSA-N -1 1 412.433 4.343 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cc1C ZINC000015267357 846025852 /nfs/dbraw/zinc/02/58/52/846025852.db2.gz ZHIULPAPLLGVIB-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000015269748 846026874 /nfs/dbraw/zinc/02/68/74/846026874.db2.gz UJKRBUJYGOJGCU-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 ZINC000015349449 846037583 /nfs/dbraw/zinc/03/75/83/846037583.db2.gz DGMJDQADUDBBDU-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c1 ZINC000015352101 846038948 /nfs/dbraw/zinc/03/89/48/846038948.db2.gz LWZOTXYVFWPAIE-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000015386255 846042914 /nfs/dbraw/zinc/04/29/14/846042914.db2.gz RQWOFFAYRRBTSA-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1c2cc(F)ccc2oc1C(=O)[N-]NC(=O)COc1ccccc1-c1ccccc1 ZINC000015429917 846047607 /nfs/dbraw/zinc/04/76/07/846047607.db2.gz GJOWQSTUELTPAB-UHFFFAOYSA-N -1 1 418.424 4.387 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1 ZINC000015436149 846049337 /nfs/dbraw/zinc/04/93/37/846049337.db2.gz XDMWCRUKQTZPOV-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM COc1ccccc1OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000015540948 846060345 /nfs/dbraw/zinc/06/03/45/846060345.db2.gz AOEVMXMCALHLPQ-UHFFFAOYSA-N -1 1 415.442 4.163 20 0 HIADMM CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000015544907 846061418 /nfs/dbraw/zinc/06/14/18/846061418.db2.gz QRDLPCKUVYMVRW-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM Cc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000015567545 846064148 /nfs/dbraw/zinc/06/41/48/846064148.db2.gz KOSRVANNOHYJKN-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(F)cc3)cc2)ccc1F ZINC000015790004 846091767 /nfs/dbraw/zinc/09/17/67/846091767.db2.gz VXPBKXNLVDYALQ-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM COc1cccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)c1 ZINC000015924131 846104343 /nfs/dbraw/zinc/10/43/43/846104343.db2.gz ODFBRHLQUWFYTN-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CCOc1ccc(NC(=S)N[N-]C(=O)c2sc(-c3ccccc3)nc2C)cc1 ZINC000016317185 846152117 /nfs/dbraw/zinc/15/21/17/846152117.db2.gz VPHQAMWAFWBNLH-UHFFFAOYSA-N -1 1 412.540 4.149 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c(O)c1 ZINC000017410486 846252649 /nfs/dbraw/zinc/25/26/49/846252649.db2.gz NRYWDVVKGSLDJO-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCOc2ccc(Cl)cc2)c1 ZINC000018151054 846303311 /nfs/dbraw/zinc/30/33/11/846303311.db2.gz ONIFFUKVDQEQFW-UHFFFAOYSA-N -1 1 416.934 4.155 20 0 HIADMM O=C(CSc1ccc(Br)cc1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000021256189 846422199 /nfs/dbraw/zinc/42/21/99/846422199.db2.gz VZOFGNRTANDGJM-UHFFFAOYSA-N -1 1 421.268 4.097 20 0 HIADMM COc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1OC ZINC000021945719 846513698 /nfs/dbraw/zinc/51/36/98/846513698.db2.gz VHIPDAGLOMUGIW-UHFFFAOYSA-N -1 1 422.462 4.026 20 0 HIADMM O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000022412198 846566891 /nfs/dbraw/zinc/56/68/91/846566891.db2.gz OLBVQOLFXUOFFZ-UHFFFAOYSA-N -1 1 403.410 4.410 20 0 HIADMM CCc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000022407514 846567250 /nfs/dbraw/zinc/56/72/50/846567250.db2.gz KMJLXYGNVVSMSK-UHFFFAOYSA-N -1 1 412.486 4.370 20 0 HIADMM O=C(C[C@H]1C=CCC1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000022993335 846646686 /nfs/dbraw/zinc/64/66/86/846646686.db2.gz IXVBSJYQMNDDKV-ZDUSSCGKSA-N -1 1 406.891 4.141 20 0 HIADMM Cc1ccsc1CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000023137868 846663927 /nfs/dbraw/zinc/66/39/27/846663927.db2.gz YPEFEGSIRQKTEQ-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM CCc1ccc(CN(C)C(=O)CCn2c(-c3ccc(OC)cc3)n[n-]c2=S)cc1 ZINC000023595914 846724760 /nfs/dbraw/zinc/72/47/60/846724760.db2.gz UWLONCUWRXNQAP-UHFFFAOYSA-N -1 1 410.543 4.227 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccccc2C)cc1 ZINC000023599242 846726322 /nfs/dbraw/zinc/72/63/22/846726322.db2.gz FNIMNHZKLPTGKE-UHFFFAOYSA-N -1 1 410.543 4.364 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccsc2)cc1 ZINC000023957816 846762939 /nfs/dbraw/zinc/76/29/39/846762939.db2.gz HMCYBUWMLVRLCU-UHFFFAOYSA-N -1 1 402.545 4.117 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCOc2ccccc2C)cc1 ZINC000024221237 846804029 /nfs/dbraw/zinc/80/40/29/846804029.db2.gz YUBAMZMBLISJCJ-UHFFFAOYSA-N -1 1 410.543 4.152 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000024435608 846824010 /nfs/dbraw/zinc/82/40/10/846824010.db2.gz FAJWIXBWBKLASQ-UHFFFAOYSA-N -1 1 408.405 4.453 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3cccc(Cl)c3Cl)CCCCCC2)no1 ZINC000024689077 846854329 /nfs/dbraw/zinc/85/43/29/846854329.db2.gz USYCEAZWSWJKSF-UHFFFAOYSA-N -1 1 404.319 4.213 20 0 HIADMM O=C(NCc1cccs1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000025258244 846949437 /nfs/dbraw/zinc/94/94/37/846949437.db2.gz NHZLIWOFOMIQQC-UHFFFAOYSA-N -1 1 406.916 4.132 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C)n3)c2)c1 ZINC000025320844 846958582 /nfs/dbraw/zinc/95/85/82/846958582.db2.gz ROUWLHGQDSYZRH-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCC(C)C)cc2)cc1 ZINC000025328172 846959952 /nfs/dbraw/zinc/95/99/52/846959952.db2.gz LANZHLDZQFFAMR-UHFFFAOYSA-N -1 1 404.532 4.052 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCC(C)C)cc2)cc1 ZINC000025328314 846960374 /nfs/dbraw/zinc/96/03/74/846960374.db2.gz FWROQRUQPOTGEY-UHFFFAOYSA-N -1 1 404.532 4.052 20 0 HIADMM O=C(Nc1cnc2ccccc2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000025530565 846993790 /nfs/dbraw/zinc/99/37/90/846993790.db2.gz DKJNTFULKZUNSP-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3c3ccncc3)c2)c1 ZINC000026001355 847070588 /nfs/dbraw/zinc/07/05/88/847070588.db2.gz KLOKOCVXXROWHD-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3cccc(C)c3)c2)cc1 ZINC000026022718 847072846 /nfs/dbraw/zinc/07/28/46/847072846.db2.gz JDAALHWMEGSUAE-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC3CCC3)c2)cc1 ZINC000026136467 847093640 /nfs/dbraw/zinc/09/36/40/847093640.db2.gz KXIUZVILVGNZSF-UHFFFAOYSA-N -1 1 422.934 4.069 20 0 HIADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1F ZINC000026235694 847108353 /nfs/dbraw/zinc/10/83/53/847108353.db2.gz CMWUPGYNWNBAST-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026254205 847113350 /nfs/dbraw/zinc/11/33/50/847113350.db2.gz XHXVDDKEFVIRIG-UHFFFAOYSA-N -1 1 415.379 4.068 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000026529472 847163835 /nfs/dbraw/zinc/16/38/35/847163835.db2.gz KGFIACFCCQICJC-UHFFFAOYSA-N -1 1 409.813 4.485 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc2c(c1)OCCCO2 ZINC000026548242 847168023 /nfs/dbraw/zinc/16/80/23/847168023.db2.gz YEKUVCNTDOCFBZ-UHFFFAOYSA-N -1 1 412.467 4.181 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1OC ZINC000026548010 847168063 /nfs/dbraw/zinc/16/80/63/847168063.db2.gz ACVJLYBYHQZKLV-UHFFFAOYSA-N -1 1 414.483 4.345 20 0 HIADMM Cc1ccc(-n2c(SCC(=O)c3ccc([O-])cc3)nnc2-c2ccncc2)cc1 ZINC000026968911 847227419 /nfs/dbraw/zinc/22/74/19/847227419.db2.gz WSIQPWBIRSUNEV-UHFFFAOYSA-N -1 1 402.479 4.318 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000026988792 847231782 /nfs/dbraw/zinc/23/17/82/847231782.db2.gz SFZJJIRLHYCADI-INIZCTEOSA-N -1 1 412.486 4.426 20 0 HIADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1OC ZINC000027136138 847253883 /nfs/dbraw/zinc/25/38/83/847253883.db2.gz XWUSYFSWGVCVOF-NRFANRHFSA-N -1 1 424.522 4.377 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)C1 ZINC000027150662 847256226 /nfs/dbraw/zinc/25/62/26/847256226.db2.gz ZIUFZIOEVWSALW-GOSISDBHSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)c(C)s1 ZINC000027802215 847352484 /nfs/dbraw/zinc/35/24/84/847352484.db2.gz XYQDSHHAIMRMDJ-UHFFFAOYSA-N -1 1 405.501 4.080 20 0 HIADMM O=C(NCc1ccco1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000027802075 847352580 /nfs/dbraw/zinc/35/25/80/847352580.db2.gz OYSOAKSNKURTCH-UHFFFAOYSA-N -1 1 423.853 4.195 20 0 HIADMM Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1 ZINC000028194848 847394621 /nfs/dbraw/zinc/39/46/21/847394621.db2.gz VUXFVONAQXEYDS-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(OC4CCCC4)c3)cc2C[C@@H]1C ZINC000028260286 847399599 /nfs/dbraw/zinc/39/95/99/847399599.db2.gz IMTANLDDCNBQCH-HNNXBMFYSA-N -1 1 414.527 4.106 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C)c1 ZINC000028491911 847426634 /nfs/dbraw/zinc/42/66/34/847426634.db2.gz AJVSJCCHSZUESE-CALCHBBNSA-N -1 1 400.544 4.222 20 0 HIADMM O=C(Cc1ccsc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000028492392 847427945 /nfs/dbraw/zinc/42/79/45/847427945.db2.gz ZZNLJIKPNOIAJG-UHFFFAOYSA-N -1 1 406.916 4.384 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)cc2C[C@H]1C ZINC000028686637 847447189 /nfs/dbraw/zinc/44/71/89/847447189.db2.gz TUPCMJFABGLFDS-MRXNPFEDSA-N -1 1 406.507 4.452 20 0 HIADMM CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1 ZINC000028837125 847467442 /nfs/dbraw/zinc/46/74/42/847467442.db2.gz FQZBLOKJQNQYCV-NRFANRHFSA-N -1 1 409.511 4.154 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000028976699 847487036 /nfs/dbraw/zinc/48/70/36/847487036.db2.gz FZKKKEHDIKODGA-IYBDPMFKSA-N -1 1 400.544 4.222 20 0 HIADMM O=C(Nc1ccccn1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000029002403 847490832 /nfs/dbraw/zinc/49/08/32/847490832.db2.gz ONKRYJKCVLVKOO-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1OC ZINC000029335903 847546878 /nfs/dbraw/zinc/54/68/78/847546878.db2.gz YLKGVSQYDGTJKI-UHFFFAOYSA-N -1 1 424.689 4.243 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC3CCCC3)cc2)c1C ZINC000029345501 847548983 /nfs/dbraw/zinc/54/89/83/847548983.db2.gz JXAYENAWOJKHPO-UHFFFAOYSA-N -1 1 400.544 4.414 20 0 HIADMM O=C(NC(C1CC1)C1CC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000029383635 847556687 /nfs/dbraw/zinc/55/66/87/847556687.db2.gz YPDKOKLVEXNOEX-UHFFFAOYSA-N -1 1 404.919 4.059 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3coc(C)n3)cc2)cc1Br ZINC000029433372 847563749 /nfs/dbraw/zinc/56/37/49/847563749.db2.gz IGESTKQOPJLPGU-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000029450576 847565784 /nfs/dbraw/zinc/56/57/84/847565784.db2.gz DMWQFFFVAQVGGM-INIZCTEOSA-N -1 1 404.532 4.147 20 0 HIADMM CCCc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n[nH]1 ZINC000029520121 847574033 /nfs/dbraw/zinc/57/40/33/847574033.db2.gz GQJLDWXSHPGPEI-UHFFFAOYSA-N -1 1 418.906 4.069 20 0 HIADMM Cc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)sc1C ZINC000029579791 847582992 /nfs/dbraw/zinc/58/29/92/847582992.db2.gz TVVZYROWGDSSNO-UHFFFAOYSA-N -1 1 419.503 4.261 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cn[nH]c3)ccc2C)cc1 ZINC000029692143 847600732 /nfs/dbraw/zinc/60/07/32/847600732.db2.gz NGGONMYKMHNSTG-UHFFFAOYSA-N -1 1 412.515 4.114 20 0 HIADMM O=C(NCC1CCCC1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000029915321 847649310 /nfs/dbraw/zinc/64/93/10/847649310.db2.gz BQWRLIQOIMMCIW-UHFFFAOYSA-N -1 1 410.898 4.200 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000029997822 847667376 /nfs/dbraw/zinc/66/73/76/847667376.db2.gz FNEVBIWGAXPSLH-NVXWUHKLSA-N -1 1 402.564 4.434 20 0 HIADMM CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030011925 847670399 /nfs/dbraw/zinc/67/03/99/847670399.db2.gz QEGVXMJZDFFVJB-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cc(F)cc(F)c3)c2)cc1 ZINC000030161452 847684520 /nfs/dbraw/zinc/68/45/20/847684520.db2.gz RQRBJKFZVMPKBB-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@@H]3C)ccc2C)c1 ZINC000030266592 847694047 /nfs/dbraw/zinc/69/40/47/847694047.db2.gz GINUYRRKZGZDCV-SFHVURJKSA-N -1 1 423.538 4.123 20 0 HIADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030381751 847708551 /nfs/dbraw/zinc/70/85/51/847708551.db2.gz SJPLIBQGUVPXGS-FOIQADDNSA-N -1 1 404.507 4.277 20 0 HIADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030381747 847708705 /nfs/dbraw/zinc/70/87/05/847708705.db2.gz SJPLIBQGUVPXGS-YWZLYKJASA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NNc3cccc(Cl)c3)cc2)cc1 ZINC000030574614 847739702 /nfs/dbraw/zinc/73/97/02/847739702.db2.gz VAAXBENEYKJBSV-UHFFFAOYSA-N -1 1 415.902 4.206 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2Cc2ccccc2)cc1 ZINC000030603298 847743319 /nfs/dbraw/zinc/74/33/19/847743319.db2.gz WLBPSZVGDPBQNU-IBGZPJMESA-N -1 1 422.554 4.240 20 0 HIADMM CO[C@@H](C)c1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436518514 861831850 /nfs/dbraw/zinc/83/18/50/861831850.db2.gz YXNKKHBNBGEXJD-KSFYIVLOSA-N -1 1 418.493 4.496 20 0 HIADMM Cc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC000031057937 847816020 /nfs/dbraw/zinc/81/60/20/847816020.db2.gz HTDJYEWRDVAQRR-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC000031136348 847828215 /nfs/dbraw/zinc/82/82/15/847828215.db2.gz XVCPPRRIOHHXEN-UHFFFAOYSA-N -1 1 421.526 4.293 20 0 HIADMM O=C(N[C@H](CC1CC1)c1cc(F)cc(Br)c1)C(=O)c1ccc([O-])cc1 ZINC000436526164 861835755 /nfs/dbraw/zinc/83/57/55/861835755.db2.gz PRWCQACBUXGJLL-QGZVFWFLSA-N -1 1 406.251 4.134 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000031265778 847854133 /nfs/dbraw/zinc/85/41/33/847854133.db2.gz FSJDNHWJKDTLAO-IBGZPJMESA-N -1 1 424.526 4.113 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2ccc(OC(C)C)cc2)cc1 ZINC000031292991 847858177 /nfs/dbraw/zinc/85/81/77/847858177.db2.gz MPSUBEWMZFCPGW-UHFFFAOYSA-N -1 1 424.570 4.452 20 0 HIADMM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000436533418 861839610 /nfs/dbraw/zinc/83/96/10/861839610.db2.gz IFLUKKHULBTHHA-CQSZACIVSA-N -1 1 418.921 4.086 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3C)cc2)cc1 ZINC000031382940 847872601 /nfs/dbraw/zinc/87/26/01/847872601.db2.gz QXZWGPMAFWXUEI-DYESRHJHSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000031535285 847901933 /nfs/dbraw/zinc/90/19/33/847901933.db2.gz JNZWZNCMVNKJTB-UHFFFAOYSA-N -1 1 411.405 4.189 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000031547642 847905118 /nfs/dbraw/zinc/90/51/18/847905118.db2.gz WDUJECRSNDETQZ-UHFFFAOYSA-N -1 1 414.483 4.401 20 0 HIADMM COc1ccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1OC1CCCC1 ZINC000436543369 861843169 /nfs/dbraw/zinc/84/31/69/861843169.db2.gz FHYRRNWTVCPODS-UHFFFAOYSA-N -1 1 405.878 4.314 20 0 HIADMM COc1cccc2c1[C@@H](C(=O)Nc1ccc(C(=O)NC3CCCCC3)c([O-])c1)CC2 ZINC000436541103 861843246 /nfs/dbraw/zinc/84/32/46/861843246.db2.gz SNCKXHKCSVEESL-IBGZPJMESA-N -1 1 408.498 4.132 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000031588293 847912876 /nfs/dbraw/zinc/91/28/76/847912876.db2.gz DIVJDSMUOMAXBQ-UHFFFAOYSA-N -1 1 404.499 4.335 20 0 HIADMM O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(=O)c1ccc([O-])cc1 ZINC000436542414 861843603 /nfs/dbraw/zinc/84/36/03/861843603.db2.gz BSFJJOYUYKOCTF-AWEZNQCLSA-N -1 1 405.294 4.404 20 0 HIADMM O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436543092 861843727 /nfs/dbraw/zinc/84/37/27/861843727.db2.gz GDSMPLIWNVOKRA-INIZCTEOSA-N -1 1 411.260 4.472 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OCC(F)(F)F)c2)cc1 ZINC000031607304 847916226 /nfs/dbraw/zinc/91/62/26/847916226.db2.gz NAGFNFOHZQEKQY-UHFFFAOYSA-N -1 1 422.432 4.496 20 0 HIADMM CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000031759780 847944631 /nfs/dbraw/zinc/94/46/31/847944631.db2.gz NQOBDJGNWRCETL-UHFFFAOYSA-N -1 1 412.914 4.446 20 0 HIADMM O=C(Nc1ccc(C(=O)N(Cc2ccncc2)C2CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436552557 861848846 /nfs/dbraw/zinc/84/88/46/861848846.db2.gz XOZLIYWLKLYPPA-UHFFFAOYSA-N -1 1 423.419 4.123 20 0 HIADMM Cc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000032146510 847988501 /nfs/dbraw/zinc/98/85/01/847988501.db2.gz YBLGOCPVRRXGGH-SFHVURJKSA-N -1 1 422.934 4.347 20 0 HIADMM Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436562656 861853429 /nfs/dbraw/zinc/85/34/29/861853429.db2.gz NDCRDCJNKDHEMV-UHFFFAOYSA-N -1 1 414.914 4.167 20 0 HIADMM CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc3ccccc3c2[O-])ccn1 ZINC000436573756 861856675 /nfs/dbraw/zinc/85/66/75/861856675.db2.gz DKRDUBZOOLJWBY-UHFFFAOYSA-N -1 1 413.433 4.345 20 0 HIADMM O=S(=O)([N-]Cc1ccc(COCc2ccccc2)cc1)c1ccc(F)c(F)c1F ZINC000032441752 848026137 /nfs/dbraw/zinc/02/61/37/848026137.db2.gz PFOOBTAJVHIATR-UHFFFAOYSA-N -1 1 421.440 4.299 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCc2cc(F)c(F)cc21 ZINC000436577948 861857811 /nfs/dbraw/zinc/85/78/11/861857811.db2.gz UELHEWSBTAYHMM-HXUWFJFHSA-N -1 1 422.431 4.018 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1)C1CCOCC1 ZINC000436577152 861857851 /nfs/dbraw/zinc/85/78/51/861857851.db2.gz RNLWZXRIYJKANF-UHFFFAOYSA-N -1 1 404.466 4.049 20 0 HIADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)ccc1F ZINC000032589887 848051512 /nfs/dbraw/zinc/05/15/12/848051512.db2.gz FHUYIESIJYIYLC-UHFFFAOYSA-N -1 1 417.458 4.354 20 0 HIADMM COc1cccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436583174 861859571 /nfs/dbraw/zinc/85/95/71/861859571.db2.gz NJTWMHOAFPVIGC-KSFYIVLOSA-N -1 1 418.493 4.036 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3cccc(F)c3C)c([O-])c2)c1 ZINC000436590946 861861406 /nfs/dbraw/zinc/86/14/06/861861406.db2.gz UYONYPQGALQMRO-UHFFFAOYSA-N -1 1 424.428 4.362 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3cscc3C)c([O-])c2)c1 ZINC000436602735 861865579 /nfs/dbraw/zinc/86/55/79/861865579.db2.gz GGZMBXQSXPTYOJ-UHFFFAOYSA-N -1 1 412.467 4.284 20 0 HIADMM CCCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1cc(F)c(OC)cc1F ZINC000436605708 861866471 /nfs/dbraw/zinc/86/64/71/861866471.db2.gz LJSSEUYUULRKRO-UHFFFAOYSA-N -1 1 405.376 4.209 20 0 HIADMM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000436604236 861866612 /nfs/dbraw/zinc/86/66/12/861866612.db2.gz NLAXUSBJAGVTCR-CYBMUJFWSA-N -1 1 414.405 4.022 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCC[C@@H](C)C3)c2)cc1 ZINC000033097847 848108881 /nfs/dbraw/zinc/10/88/81/848108881.db2.gz UHIHOCLFSVVWGJ-APWZRJJASA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@@H](C)C3)c2)cc1 ZINC000033181623 848120904 /nfs/dbraw/zinc/12/09/04/848120904.db2.gz SACPQEKEEXAYIO-APWZRJJASA-N -1 1 416.543 4.195 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000033184312 848122035 /nfs/dbraw/zinc/12/20/35/848122035.db2.gz HHFBZBUWDBRZGS-CRAIPNDOSA-N -1 1 400.544 4.413 20 0 HIADMM O=S(=O)([N-]Cc1cccc(F)c1)c1c(Cl)cc(Br)cc1Cl ZINC000037404192 848173009 /nfs/dbraw/zinc/17/30/09/848173009.db2.gz XNAFQFRMUMDVSU-UHFFFAOYSA-N -1 1 413.095 4.374 20 0 HIADMM CC(C)(C)OC(=O)N1CCN(Cc2ccccc2C(=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000039952666 848196668 /nfs/dbraw/zinc/19/66/68/848196668.db2.gz UKLYTIRAZGEGJR-FQEVSTJZSA-N -1 1 410.514 4.049 20 0 HIADMM CCOc1cc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[n-]2)ccc1O ZINC000436642055 861879212 /nfs/dbraw/zinc/87/92/12/861879212.db2.gz ZFNMKUKRGOBNMS-UHFFFAOYSA-N -1 1 408.435 4.152 20 0 HIADMM COc1cccc(C2(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)CC2)c1 ZINC000436640795 861879278 /nfs/dbraw/zinc/87/92/78/861879278.db2.gz JWKPUKQJKQWZSW-UHFFFAOYSA-N -1 1 408.498 4.134 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)s1 ZINC000041594425 848235936 /nfs/dbraw/zinc/23/59/36/848235936.db2.gz BALBVGRFBBXJCQ-UHFFFAOYSA-N -1 1 408.451 4.388 20 0 HIADMM CN(CCc1cccc(Br)c1)C(=O)c1cc(Br)ccc1[O-] ZINC000436658157 861883915 /nfs/dbraw/zinc/88/39/15/861883915.db2.gz XZWKLULDXUWNQO-UHFFFAOYSA-N -1 1 413.109 4.232 20 0 HIADMM CN(Cc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436686170 861894000 /nfs/dbraw/zinc/89/40/00/861894000.db2.gz MZXURWISGPGPST-UHFFFAOYSA-N -1 1 414.383 4.334 20 0 HIADMM CC(C)(C)CCc1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000436687571 861894230 /nfs/dbraw/zinc/89/42/30/861894230.db2.gz ROCDXHCGWCDLTR-UHFFFAOYSA-N -1 1 407.517 4.283 20 0 HIADMM CO[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000436674816 861890689 /nfs/dbraw/zinc/89/06/89/861890689.db2.gz JHTPFORBQSYYST-AWEZNQCLSA-N -1 1 423.296 4.202 20 0 HIADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000436676241 861891440 /nfs/dbraw/zinc/89/14/40/861891440.db2.gz YJTAWBMOGPNUJQ-HNNXBMFYSA-N -1 1 403.438 4.096 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])s1 ZINC000436686296 861894438 /nfs/dbraw/zinc/89/44/38/861894438.db2.gz OAFPKWVHUVVRDF-UHFFFAOYSA-N -1 1 402.422 4.223 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)c1 ZINC000436684593 861893205 /nfs/dbraw/zinc/89/32/05/861893205.db2.gz CPXAUCZSALSQPQ-UHFFFAOYSA-N -1 1 408.376 4.050 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc(C)c(O)c3)n2)cc(Br)c1[O-] ZINC000436691958 861895165 /nfs/dbraw/zinc/89/51/65/861895165.db2.gz VWMVWYKYQXQUKD-UHFFFAOYSA-N -1 1 405.248 4.208 20 0 HIADMM Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cc(F)ccc2[O-])n1C ZINC000436696408 861896058 /nfs/dbraw/zinc/89/60/58/861896058.db2.gz GVZLUZUJIYBATK-UHFFFAOYSA-N -1 1 404.239 4.255 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000436704644 861897638 /nfs/dbraw/zinc/89/76/38/861897638.db2.gz HRAXGXVSXNSPEC-UHFFFAOYSA-N -1 1 420.218 4.075 20 0 HIADMM O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(O)cc1[O-] ZINC000436711946 861899836 /nfs/dbraw/zinc/89/98/36/861899836.db2.gz LWPJYUZEYPUFDF-UHFFFAOYSA-N -1 1 422.868 4.483 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000436719296 861905364 /nfs/dbraw/zinc/90/53/64/861905364.db2.gz ZKEGFHAPCDSPLJ-ZDUSSCGKSA-N -1 1 401.825 4.255 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccco2)Cc2cccs2)c(=O)[n-]1 ZINC000043773704 848463404 /nfs/dbraw/zinc/46/34/04/848463404.db2.gz QTAITWMAWKFODH-UHFFFAOYSA-N -1 1 403.529 4.029 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H](C)c3ccc(-n4cccn4)c(F)c3)nc2)[n-]c(=O)c1C ZINC000436726285 861909973 /nfs/dbraw/zinc/90/99/73/861909973.db2.gz VEZRJWVOSYUCCJ-HNNXBMFYSA-N -1 1 404.449 4.359 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000044258260 848537411 /nfs/dbraw/zinc/53/74/11/848537411.db2.gz YJURQAJTUNQSDU-UHFFFAOYSA-N -1 1 416.934 4.434 20 0 HIADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000044259959 848538259 /nfs/dbraw/zinc/53/82/59/848538259.db2.gz ATVXUFCQOFPSNL-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2nc3c(cccc3C)s2)c1 ZINC000436728292 861913738 /nfs/dbraw/zinc/91/37/38/861913738.db2.gz JVSLWZMLTBKJOH-UHFFFAOYSA-N -1 1 408.439 4.111 20 0 HIADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(OC4CCCC4)c3)ccc21 ZINC000044668059 848590986 /nfs/dbraw/zinc/59/09/86/848590986.db2.gz GWVMEHCNZUWLDI-UHFFFAOYSA-N -1 1 414.527 4.108 20 0 HIADMM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801525 848605994 /nfs/dbraw/zinc/60/59/94/848605994.db2.gz FRPJNNAGHOLHIO-GJZGRUSLSA-N -1 1 419.547 4.019 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CCC(C)C)c2)cc1 ZINC000045473275 848683408 /nfs/dbraw/zinc/68/34/08/848683408.db2.gz QYJRTROPAUUGJM-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM O=C(NCc1nc2ccccc2s1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000045575196 848694035 /nfs/dbraw/zinc/69/40/35/848694035.db2.gz CCHHJYCAKWEIFT-UHFFFAOYSA-N -1 1 423.519 4.027 20 0 HIADMM COc1cc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])c(SC)cc1OC ZINC000436749993 861935829 /nfs/dbraw/zinc/93/58/29/861935829.db2.gz DECMNIRTLQITNN-UHFFFAOYSA-N -1 1 415.433 4.422 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C[C@H](C)O1 ZINC000436753668 861937452 /nfs/dbraw/zinc/93/74/52/861937452.db2.gz GFBQPFRSFDTDEH-TXEJJXNPSA-N -1 1 423.296 4.201 20 0 HIADMM O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc2ccccc2c1[O-] ZINC000436755057 861940518 /nfs/dbraw/zinc/94/05/18/861940518.db2.gz LTZRCCBQBXKERH-UHFFFAOYSA-N -1 1 420.778 4.190 20 0 HIADMM CC(C)CN(C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436756475 861941562 /nfs/dbraw/zinc/94/15/62/861941562.db2.gz QLBOWMIJRDCNQX-UHFFFAOYSA-N -1 1 405.292 4.135 20 0 HIADMM O=C(Nc1ccc(C(=O)N(Cc2cccnc2)C2CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436759533 861947131 /nfs/dbraw/zinc/94/71/31/861947131.db2.gz ZNHRUPBLCGGDJU-UHFFFAOYSA-N -1 1 423.419 4.123 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])[C@@H](C)CO1 ZINC000436760049 861949562 /nfs/dbraw/zinc/94/95/62/861949562.db2.gz LBIKDDAXDQSUEH-RYUDHWBXSA-N -1 1 423.296 4.201 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCCc2ccccc21 ZINC000046462582 848855092 /nfs/dbraw/zinc/85/50/92/848855092.db2.gz ALCATYDONMNQJH-UHFFFAOYSA-N -1 1 410.470 4.220 20 0 HIADMM O=C(CCC(=O)c1cccs1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046587956 848880108 /nfs/dbraw/zinc/88/01/08/848880108.db2.gz SYWUPZSCBMDDIE-UHFFFAOYSA-N -1 1 414.508 4.151 20 0 HIADMM Cc1ccc(NC(=O)CCc2ccsc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046592023 848882049 /nfs/dbraw/zinc/88/20/49/848882049.db2.gz RONZHOCKDIFMAO-UHFFFAOYSA-N -1 1 400.525 4.429 20 0 HIADMM O=C(Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1)c1ccco1 ZINC000436763648 861953582 /nfs/dbraw/zinc/95/35/82/861953582.db2.gz LYQFXUDHQBYVDL-UHFFFAOYSA-N -1 1 404.344 4.186 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000046612039 848886237 /nfs/dbraw/zinc/88/62/37/848886237.db2.gz GRMDUWNOUHFKQF-UHFFFAOYSA-N -1 1 414.508 4.312 20 0 HIADMM CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763291 861953788 /nfs/dbraw/zinc/95/37/88/861953788.db2.gz JPFBTXQJLYHVOU-UHFFFAOYSA-N -1 1 421.202 4.429 20 0 HIADMM Cc1ccc(NC(=O)CCOc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612089 848886685 /nfs/dbraw/zinc/88/66/85/848886685.db2.gz UQYXFHAOEGWZNC-UHFFFAOYSA-N -1 1 410.495 4.203 20 0 HIADMM N#C[C@H](C(=O)CCc1ccccc1Cl)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707286 848914988 /nfs/dbraw/zinc/91/49/88/848914988.db2.gz FOPIAIIJCKCDDK-CQSZACIVSA-N -1 1 411.914 4.326 20 0 HIADMM CCOc1cc2c(cc1OCC)CN(C(=O)c1cc(Cl)c([O-])c(OC)c1)CC2 ZINC000436769721 861959522 /nfs/dbraw/zinc/95/95/22/861959522.db2.gz ZQJYLWDFILXJMH-UHFFFAOYSA-N -1 1 405.878 4.050 20 0 HIADMM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000047281657 849019966 /nfs/dbraw/zinc/01/99/66/849019966.db2.gz MCUXDAMLRKOUBY-QGZVFWFLSA-N -1 1 406.916 4.060 20 0 HIADMM CCN(CC1CC1)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436785023 861975901 /nfs/dbraw/zinc/97/59/01/861975901.db2.gz NSUFUPBZLWQXTC-UHFFFAOYSA-N -1 1 417.303 4.279 20 0 HIADMM CCOC(=O)Nc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000047944926 849141551 /nfs/dbraw/zinc/14/15/51/849141551.db2.gz CNYBLRSGEZIANN-UHFFFAOYSA-N -1 1 411.458 4.087 20 0 HIADMM CCOc1cc(-c2noc(CCCC3CCOCC3)n2)cc(Br)c1[O-] ZINC000436791876 861984808 /nfs/dbraw/zinc/98/48/08/861984808.db2.gz LQQVEVKLZAKTTF-UHFFFAOYSA-N -1 1 411.296 4.353 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])[C@H]1C1CC1 ZINC000436804853 861993667 /nfs/dbraw/zinc/99/36/67/861993667.db2.gz WDZRDOUVYOWWAY-IBGZPJMESA-N -1 1 400.425 4.183 20 0 HIADMM CN(C)c1c(Cl)cccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000048738388 849262066 /nfs/dbraw/zinc/26/20/66/849262066.db2.gz GNVVJUBZOREDKB-UHFFFAOYSA-N -1 1 401.894 4.238 20 0 HIADMM N#C[C@H](C(=O)CCc1cccc(Cl)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817389 849271441 /nfs/dbraw/zinc/27/14/41/849271441.db2.gz VZBAEGDXOBNTBI-OAHLLOKOSA-N -1 1 411.914 4.326 20 0 HIADMM N#C[C@H](C(=O)CCc1ccc(Cl)s1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048818012 849271501 /nfs/dbraw/zinc/27/15/01/849271501.db2.gz YZKWMJMJBDZGBP-GFCCVEGCSA-N -1 1 417.943 4.387 20 0 HIADMM Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436822050 862005672 /nfs/dbraw/zinc/00/56/72/862005672.db2.gz ZTRFJVLAFQEZQA-KRWDZBQOSA-N -1 1 413.543 4.278 20 0 HIADMM C[C@H](CCCC(F)(F)F)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436822181 862005760 /nfs/dbraw/zinc/00/57/60/862005760.db2.gz NSOZOXYPOROGTM-RDTXWAMCSA-N -1 1 422.447 4.387 20 0 HIADMM O=C(NCCOC1CCCCCC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436827193 862007059 /nfs/dbraw/zinc/00/70/59/862007059.db2.gz RWBKWGKIMPMJPS-QFIPXVFZSA-N -1 1 424.541 4.006 20 0 HIADMM COc1ccc(OC)c(-c2csc(NC(=O)c3cc(Cl)c([O-])c(OC)c3)n2)c1 ZINC000436825427 862007502 /nfs/dbraw/zinc/00/75/02/862007502.db2.gz GRCRFLWTONFSRQ-UHFFFAOYSA-N -1 1 420.874 4.447 20 0 HIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000050534069 849392650 /nfs/dbraw/zinc/39/26/50/849392650.db2.gz JILSQVKLXFBMRC-UHFFFAOYSA-N -1 1 414.449 4.200 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000050805348 849411310 /nfs/dbraw/zinc/41/13/10/849411310.db2.gz TYKGPYTYPBUIGW-UHFFFAOYSA-N -1 1 411.483 4.278 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000436836958 862017080 /nfs/dbraw/zinc/01/70/80/862017080.db2.gz FEGONCATUYRVRL-IBGZPJMESA-N -1 1 407.470 4.190 20 0 HIADMM O=C(CCCOc1ccc(Cl)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000051286308 849453423 /nfs/dbraw/zinc/45/34/23/849453423.db2.gz UGEJPSSSUKDZKY-UHFFFAOYSA-N -1 1 401.890 4.326 20 0 HIADMM O=C(CCCOc1ccccc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000051342006 849460369 /nfs/dbraw/zinc/46/03/69/849460369.db2.gz CYACHJCJWAJPTK-UHFFFAOYSA-N -1 1 401.890 4.326 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(C)C)cc2F)c1 ZINC000052080077 849549367 /nfs/dbraw/zinc/54/93/67/849549367.db2.gz AERFCYACBDGADZ-UHFFFAOYSA-N -1 1 400.479 4.481 20 0 HIADMM O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1cc(Br)ccc1[O-] ZINC000436855311 862035699 /nfs/dbraw/zinc/03/56/99/862035699.db2.gz IRMDHOOEJUPCEG-KRWDZBQOSA-N -1 1 415.287 4.009 20 0 HIADMM CC(C)(c1nc(-c2ccc([O-])cc2Cl)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000436867685 862043815 /nfs/dbraw/zinc/04/38/15/862043815.db2.gz FGWNDATYMDZQLW-UHFFFAOYSA-N -1 1 413.282 4.458 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(F)(F)c1ccccc1 ZINC000053158208 849673530 /nfs/dbraw/zinc/67/35/30/849673530.db2.gz OJPDZJVTCODMIG-UHFFFAOYSA-N -1 1 402.422 4.218 20 0 HIADMM Cc1ccc(NC(=O)c2scnc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000053505289 849722714 /nfs/dbraw/zinc/72/27/14/849722714.db2.gz SQZCWBMJMPBCLU-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CCOc1cc(-c2noc(C[C@@H]3CCC[C@H](OC)C3)n2)cc(Br)c1[O-] ZINC000436872403 862050376 /nfs/dbraw/zinc/05/03/76/862050376.db2.gz MPYYDVZQQDPNRX-YPMHNXCESA-N -1 1 411.296 4.351 20 0 HIADMM CO[C@@H](C)[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436875966 862051704 /nfs/dbraw/zinc/05/17/04/862051704.db2.gz ZRIZUGKWMONWQS-QWRGUYRKSA-N -1 1 411.285 4.105 20 0 HIADMM CCOc1cc(-c2noc(-c3cncn3-c3ccc(F)cc3)n2)cc(Cl)c1[O-] ZINC000436879653 862057620 /nfs/dbraw/zinc/05/76/20/862057620.db2.gz YAHYXKIWXBIFGU-UHFFFAOYSA-N -1 1 400.797 4.486 20 0 HIADMM COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc([O-])cc1F)CC2 ZINC000436881563 862060002 /nfs/dbraw/zinc/06/00/02/862060002.db2.gz SXMZPXSHVCYTSZ-NRFANRHFSA-N -1 1 413.470 4.398 20 0 HIADMM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc([O-])cc1F)CC2 ZINC000436880943 862060216 /nfs/dbraw/zinc/06/02/16/862060216.db2.gz QIESNVVSMNXFGI-QHCPKHFHSA-N -1 1 407.441 4.336 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)COc2cccc(C)c2)cc1 ZINC000054165369 849817971 /nfs/dbraw/zinc/81/79/71/849817971.db2.gz YFCADDYICAWOFZ-KRWDZBQOSA-N -1 1 410.543 4.198 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(C4CCCC4)no3)c([O-])c2)c1 ZINC000436884838 862061559 /nfs/dbraw/zinc/06/15/59/862061559.db2.gz DWYGFESNUKQCKR-UHFFFAOYSA-N -1 1 409.442 4.369 20 0 HIADMM O=C(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)C(=O)c1ccc([O-])cc1 ZINC000436896549 862071595 /nfs/dbraw/zinc/07/15/95/862071595.db2.gz NIPIKYLPFPNWFT-CQSZACIVSA-N -1 1 416.193 4.147 20 0 HIADMM C[C@@H]1CCCN(c2nc([O-])c(CC(=O)Nc3ccc(SC(F)F)cc3)s2)C1 ZINC000055117820 849973138 /nfs/dbraw/zinc/97/31/38/849973138.db2.gz IMKRVCGVALWCPS-BXUZGUMPSA-N -1 1 413.515 4.060 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3)ccc2C)cc1 ZINC000055601721 850075865 /nfs/dbraw/zinc/07/58/65/850075865.db2.gz MZZSWBKBOCBUOD-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)cc1 ZINC000055621314 850081002 /nfs/dbraw/zinc/08/10/02/850081002.db2.gz FJMQSZNEHYSDDS-UHFFFAOYSA-N -1 1 401.532 4.314 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 ZINC000055639295 850086827 /nfs/dbraw/zinc/08/68/27/850086827.db2.gz ATEBPQLGOPFGGV-UHFFFAOYSA-N -1 1 406.935 4.232 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)c(C)c1 ZINC000055639198 850086940 /nfs/dbraw/zinc/08/69/40/850086940.db2.gz QYCGWKQHOVQJQZ-UHFFFAOYSA-N -1 1 416.543 4.175 20 0 HIADMM Cc1ccc(-c2cnc(CCC(=O)Nc3n[nH]c(-c4ccc([O-])c(Cl)c4)n3)o2)cc1 ZINC000436913278 862090913 /nfs/dbraw/zinc/09/09/13/862090913.db2.gz IUMFUWHZENPHAT-UHFFFAOYSA-N -1 1 423.860 4.365 20 0 HIADMM Cc1ccc(-c2cnc(CCC(=O)Nc3nc(-c4ccc([O-])c(Cl)c4)n[nH]3)o2)cc1 ZINC000436913278 862090927 /nfs/dbraw/zinc/09/09/27/862090927.db2.gz IUMFUWHZENPHAT-UHFFFAOYSA-N -1 1 423.860 4.365 20 0 HIADMM Cc1c(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cccc1-c1ccccn1 ZINC000436912881 862091210 /nfs/dbraw/zinc/09/12/10/862091210.db2.gz DSVDALSRQIZUSV-UHFFFAOYSA-N -1 1 405.845 4.453 20 0 HIADMM Cc1c(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cccc1-c1ccccn1 ZINC000436912881 862091219 /nfs/dbraw/zinc/09/12/19/862091219.db2.gz DSVDALSRQIZUSV-UHFFFAOYSA-N -1 1 405.845 4.453 20 0 HIADMM CCCCOc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1OC ZINC000436915570 862096532 /nfs/dbraw/zinc/09/65/32/862096532.db2.gz OYVVVJPNKOPNEN-UHFFFAOYSA-N -1 1 416.865 4.271 20 0 HIADMM CCCCOc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1OC ZINC000436915570 862096538 /nfs/dbraw/zinc/09/65/38/862096538.db2.gz OYVVVJPNKOPNEN-UHFFFAOYSA-N -1 1 416.865 4.271 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000436919200 862100259 /nfs/dbraw/zinc/10/02/59/862100259.db2.gz MMXISUUXHLYDLC-UHFFFAOYSA-N -1 1 422.832 4.010 20 0 HIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000436919200 862100278 /nfs/dbraw/zinc/10/02/78/862100278.db2.gz MMXISUUXHLYDLC-UHFFFAOYSA-N -1 1 422.832 4.010 20 0 HIADMM O=C(CSc1nccc2ccccc21)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436918935 862100334 /nfs/dbraw/zinc/10/03/34/862100334.db2.gz LEZAGUKGDBTAPF-UHFFFAOYSA-N -1 1 411.874 4.110 20 0 HIADMM O=C(CSc1nccc2ccccc21)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436918935 862100347 /nfs/dbraw/zinc/10/03/47/862100347.db2.gz LEZAGUKGDBTAPF-UHFFFAOYSA-N -1 1 411.874 4.110 20 0 HIADMM CC(C)COc1ncc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1Cl ZINC000436921931 862103897 /nfs/dbraw/zinc/10/38/97/862103897.db2.gz YFTOJTFOEADARE-UHFFFAOYSA-N -1 1 422.272 4.166 20 0 HIADMM CC(C)COc1ncc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1Cl ZINC000436921931 862103903 /nfs/dbraw/zinc/10/39/03/862103903.db2.gz YFTOJTFOEADARE-UHFFFAOYSA-N -1 1 422.272 4.166 20 0 HIADMM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c(C)n1 ZINC000056061870 850235756 /nfs/dbraw/zinc/23/57/56/850235756.db2.gz SSIXYHSZBSKREQ-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000056062090 850237026 /nfs/dbraw/zinc/23/70/26/850237026.db2.gz FTSOQMFUTYDWPG-KGVSQERTSA-N -1 1 413.886 4.188 20 0 HIADMM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(C(=O)NC3CCCCC3)c([O-])c1)CC2 ZINC000436934376 862112802 /nfs/dbraw/zinc/11/28/02/862112802.db2.gz GFNMQVRZWHRWHV-IBGZPJMESA-N -1 1 408.498 4.132 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc(-c2cc[nH]n2)s1 ZINC000436938992 862117310 /nfs/dbraw/zinc/11/73/10/862117310.db2.gz XGRNBHLIJXKNDH-UHFFFAOYSA-N -1 1 410.499 4.159 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000436937748 862117678 /nfs/dbraw/zinc/11/76/78/862117678.db2.gz ZZLMJPDSPSZJHJ-UHFFFAOYSA-N -1 1 423.738 4.156 20 0 HIADMM CN(C(=O)c1cc(Br)ccc1[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000436942014 862120608 /nfs/dbraw/zinc/12/06/08/862120608.db2.gz SSCYLICAGJJBMN-MAUKXSAKSA-N -1 1 408.267 4.286 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2OCC(C)C)c1 ZINC000436949062 862124791 /nfs/dbraw/zinc/12/47/91/862124791.db2.gz JMXOUVJEBZQTDY-UHFFFAOYSA-N -1 1 409.442 4.228 20 0 HIADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(I)ccc1[O-] ZINC000436952046 862131083 /nfs/dbraw/zinc/13/10/83/862131083.db2.gz UXXCKQBYRWXABZ-WFASDCNBSA-N -1 1 407.251 4.015 20 0 HIADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436956969 862136952 /nfs/dbraw/zinc/13/69/52/862136952.db2.gz VALUUJQBRYJLFI-ZDUSSCGKSA-N -1 1 400.425 4.327 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1F ZINC000056931614 850518021 /nfs/dbraw/zinc/51/80/21/850518021.db2.gz KWYBMKPFULMECL-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2[nH]1 ZINC000056931604 850518337 /nfs/dbraw/zinc/51/83/37/850518337.db2.gz QCTAKBRHKBSKIY-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)c(Cl)c2)c2ccccc12 ZINC000057119812 850551719 /nfs/dbraw/zinc/55/17/19/850551719.db2.gz NRPLBXGYPDPLTF-UHFFFAOYSA-N -1 1 418.902 4.052 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)N3CCCC3)cc2)cc1 ZINC000057125197 850553221 /nfs/dbraw/zinc/55/32/21/850553221.db2.gz JSVWCIMKAWXFHW-UHFFFAOYSA-N -1 1 414.571 4.340 20 0 HIADMM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cc(Br)ccc2[O-])no1 ZINC000436961016 862141512 /nfs/dbraw/zinc/14/15/12/862141512.db2.gz IUCGWEMSTSCCFI-CQSZACIVSA-N -1 1 408.296 4.419 20 0 HIADMM COc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000057376798 850620587 /nfs/dbraw/zinc/62/05/87/850620587.db2.gz MQMJFYNCTSYZJQ-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CN1CC[C@@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436978911 862156049 /nfs/dbraw/zinc/15/60/49/862156049.db2.gz IOCQKGMCJLNZMX-APPDUMDISA-N -1 1 415.267 4.400 20 0 HIADMM Cc1c[nH]c(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])n1 ZINC000436985779 862165215 /nfs/dbraw/zinc/16/52/15/862165215.db2.gz PEMXABYTBXUETQ-UHFFFAOYSA-N -1 1 405.241 4.235 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CC4(C3)CCCCC4)c([O-])c2)c1 ZINC000436987739 862165002 /nfs/dbraw/zinc/16/50/02/862165002.db2.gz VTSYWRGGGOPTIQ-UHFFFAOYSA-N -1 1 424.497 4.068 20 0 HIADMM COc1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)[nH]c2c1 ZINC000058143298 850773043 /nfs/dbraw/zinc/77/30/43/850773043.db2.gz FNIPHJGPZYGHOG-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM Cc1ccccc1NCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058143292 850773051 /nfs/dbraw/zinc/77/30/51/850773051.db2.gz KJTOUOBKPLNNRY-UHFFFAOYSA-N -1 1 409.511 4.237 20 0 HIADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000058164585 850776063 /nfs/dbraw/zinc/77/60/63/850776063.db2.gz BWEAKCHHYPMXFP-YJYMSZOUSA-N -1 1 408.470 4.074 20 0 HIADMM O=C(NC1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)CC1)C1CCCCC1 ZINC000058206570 850780486 /nfs/dbraw/zinc/78/04/86/850780486.db2.gz BKUXVNGFIMLREK-UHFFFAOYSA-N -1 1 419.639 4.182 20 0 HIADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCN(c2ccccc2Cl)CC1 ZINC000058204733 850781395 /nfs/dbraw/zinc/78/13/95/850781395.db2.gz VQNDHMOEJOCXFJ-UHFFFAOYSA-N -1 1 405.980 4.026 20 0 HIADMM CC(C)(C)N1CC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436999620 862171287 /nfs/dbraw/zinc/17/12/87/862171287.db2.gz KJQDLMULSXADMN-RBUKOAKNSA-N -1 1 418.896 4.098 20 0 HIADMM O=C(Nc1nc(Cc2ccccc2Br)cs1)C(=O)c1ccc([O-])cc1 ZINC000436999545 862172979 /nfs/dbraw/zinc/17/29/79/862172979.db2.gz GFTYTGKLMHXLCT-UHFFFAOYSA-N -1 1 417.284 4.023 20 0 HIADMM COc1c(Cl)cccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058494473 850839004 /nfs/dbraw/zinc/83/90/04/850839004.db2.gz VPONOWBFOOYWCD-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM CC(C)Oc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058494021 850839348 /nfs/dbraw/zinc/83/93/48/850839348.db2.gz KRQQRZPHSOMLQR-UHFFFAOYSA-N -1 1 404.271 4.280 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)OCc1cccc(F)c1 ZINC000058834671 850941854 /nfs/dbraw/zinc/94/18/54/850941854.db2.gz VBFJZDVXWPARGQ-UHFFFAOYSA-N -1 1 417.433 4.052 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CCOc1ccc(Cl)cc1 ZINC000059004346 850978263 /nfs/dbraw/zinc/97/82/63/850978263.db2.gz OJEHGPVGQAGTHD-UHFFFAOYSA-N -1 1 415.902 4.002 20 0 HIADMM O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000059889324 851021743 /nfs/dbraw/zinc/02/17/43/851021743.db2.gz HUHRXBUFQFDCDJ-UHFFFAOYSA-N -1 1 424.507 4.191 20 0 HIADMM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])ccc1N(C)C ZINC000060349430 851071663 /nfs/dbraw/zinc/07/16/63/851071663.db2.gz ICAVHYTWFNNXJL-JOCHJYFZSA-N -1 1 417.509 4.163 20 0 HIADMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)ccc21 ZINC000060353723 851074389 /nfs/dbraw/zinc/07/43/89/851074389.db2.gz KGEZQOVBHVHYMA-UHFFFAOYSA-N -1 1 419.510 4.205 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000060354273 851074415 /nfs/dbraw/zinc/07/44/15/851074415.db2.gz ZEEULYIDLPCEGA-OAQYLSRUSA-N -1 1 416.525 4.002 20 0 HIADMM O=C(Nc1ccc(F)cn1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000060368768 851081101 /nfs/dbraw/zinc/08/11/01/851081101.db2.gz MAFVTNOXMITPKH-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM Cc1cc(C)cc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000060411937 851091254 /nfs/dbraw/zinc/09/12/54/851091254.db2.gz LHSYYVKWYGPNMO-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3C)cc2)cc1 ZINC000060456826 851106113 /nfs/dbraw/zinc/10/61/13/851106113.db2.gz GDIZKEFIJCBHLL-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM COc1ccc(CCCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000061400362 851366479 /nfs/dbraw/zinc/36/64/79/851366479.db2.gz COUWVSODUQYQDU-UHFFFAOYSA-N -1 1 424.522 4.457 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000063173138 851625681 /nfs/dbraw/zinc/62/56/81/851625681.db2.gz JABNTRIPNQMVGN-UHFFFAOYSA-N -1 1 416.543 4.292 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H](C)CC2)cc1 ZINC000063273692 851647584 /nfs/dbraw/zinc/64/75/84/851647584.db2.gz MWQKPMLJSCBOGV-HNNXBMFYSA-N -1 1 404.507 4.197 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(Cl)cc1F ZINC000063877993 851784431 /nfs/dbraw/zinc/78/44/31/851784431.db2.gz IVQUFLQXTJJJKT-UHFFFAOYSA-N -1 1 415.723 4.136 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)o1 ZINC000063980887 851809330 /nfs/dbraw/zinc/80/93/30/851809330.db2.gz MEPOBOLPRZBIHD-UHFFFAOYSA-N -1 1 419.528 4.096 20 0 HIADMM CCCCc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)n[nH]1 ZINC000064078759 851824484 /nfs/dbraw/zinc/82/44/84/851824484.db2.gz IWKRJLQGCAAPEV-UHFFFAOYSA-N -1 1 412.515 4.114 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1 ZINC000064475731 851906846 /nfs/dbraw/zinc/90/68/46/851906846.db2.gz WODLDBQOZIKWHK-UHFFFAOYSA-N -1 1 401.488 4.275 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 ZINC000064476602 851907645 /nfs/dbraw/zinc/90/76/45/851907645.db2.gz NHPDEVZBNGYRRZ-UHFFFAOYSA-N -1 1 412.536 4.486 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000064476402 851907856 /nfs/dbraw/zinc/90/78/56/851907856.db2.gz VCDNTXMDWXQYHG-UHFFFAOYSA-N -1 1 406.573 4.472 20 0 HIADMM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)C[C@H](C)O1 ZINC000064478301 851909345 /nfs/dbraw/zinc/90/93/45/851909345.db2.gz OZZZXJURQGGHEM-KBPBESRZSA-N -1 1 414.449 4.120 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000437115131 862302047 /nfs/dbraw/zinc/30/20/47/862302047.db2.gz NQMVMKNIFPXGIO-UHFFFAOYSA-N -1 1 424.497 4.457 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)c1 ZINC000437125213 862314449 /nfs/dbraw/zinc/31/44/49/862314449.db2.gz QMUISRWQWPMING-UHFFFAOYSA-N -1 1 424.497 4.376 20 0 HIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000065070388 852053647 /nfs/dbraw/zinc/05/36/47/852053647.db2.gz DHDSDJLVUYVNRZ-UHFFFAOYSA-N -1 1 402.560 4.380 20 0 HIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000065070369 852054263 /nfs/dbraw/zinc/05/42/63/852054263.db2.gz HLORDZPHUIKOEW-UHFFFAOYSA-N -1 1 418.559 4.277 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)c2ccc(F)cc2)cc1 ZINC000065160453 852081569 /nfs/dbraw/zinc/08/15/69/852081569.db2.gz LGZGYVKLZARTDJ-UHFFFAOYSA-N -1 1 416.449 4.351 20 0 HIADMM O=C(NCCc1ccccc1C(F)(F)F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000065513861 852163146 /nfs/dbraw/zinc/16/31/46/852163146.db2.gz UYEKWUHKJTZJIB-UHFFFAOYSA-N -1 1 420.431 4.258 20 0 HIADMM Cc1occc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000065688618 852219684 /nfs/dbraw/zinc/21/96/84/852219684.db2.gz JZZVDXBULIWRPJ-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2Oc2cccc(F)c2)c(=O)[n-]1 ZINC000065807728 852263114 /nfs/dbraw/zinc/26/31/14/852263114.db2.gz MZTJTHANQKAQTO-UHFFFAOYSA-N -1 1 413.474 4.303 20 0 HIADMM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000065832886 852274338 /nfs/dbraw/zinc/27/43/38/852274338.db2.gz BTBVXJNFMQXNAV-UHFFFAOYSA-N -1 1 417.449 4.448 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000065924845 852316849 /nfs/dbraw/zinc/31/68/49/852316849.db2.gz HUZVLAAUHZVYQE-FUUYNRHESA-N -1 1 424.566 4.447 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065924603 852317278 /nfs/dbraw/zinc/31/72/78/852317278.db2.gz VNNZWGXAMSACAQ-JOIKAWEESA-N -1 1 410.539 4.138 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)c2)c1 ZINC000065924988 852317446 /nfs/dbraw/zinc/31/74/46/852317446.db2.gz KOXLVHGDTZGNSL-JREAUHRESA-N -1 1 424.566 4.447 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000437151653 862344399 /nfs/dbraw/zinc/34/43/99/862344399.db2.gz RMRRIXMPDINVSE-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)o1 ZINC000068889424 852375860 /nfs/dbraw/zinc/37/58/60/852375860.db2.gz SQXVYCGPKJKTQH-UHFFFAOYSA-N -1 1 418.902 4.314 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)COCc3ccccc3)ccc2C)c1 ZINC000069418186 852394527 /nfs/dbraw/zinc/39/45/27/852394527.db2.gz MDGOGQUBVODEPZ-UHFFFAOYSA-N -1 1 424.522 4.260 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccccc3N3CCCCC3)c3cccc1c23 ZINC000071974267 852452509 /nfs/dbraw/zinc/45/25/09/852452509.db2.gz MAVLENUWOMOXRK-UHFFFAOYSA-N -1 1 407.495 4.197 20 0 HIADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000071999106 852456648 /nfs/dbraw/zinc/45/66/48/852456648.db2.gz XFWQVWTWEMIOGL-MAODMQOUSA-N -1 1 415.559 4.073 20 0 HIADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000072022070 852470009 /nfs/dbraw/zinc/47/00/09/852470009.db2.gz HVOMUXXQXBNORI-NRFANRHFSA-N -1 1 410.470 4.044 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000097091384 852581627 /nfs/dbraw/zinc/58/16/27/852581627.db2.gz BFVGMDMPZFEVAE-UHFFFAOYSA-N -1 1 409.461 4.237 20 0 HIADMM Cc1sc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)nc1-c1ccc(F)cc1 ZINC000097098795 852582882 /nfs/dbraw/zinc/58/28/82/852582882.db2.gz RSOSWWMYJXHZSM-UHFFFAOYSA-N -1 1 400.479 4.199 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cccnc3)c2)cc1 ZINC000104734412 852675762 /nfs/dbraw/zinc/67/57/62/852675762.db2.gz FXMTVYISPQIWGU-UHFFFAOYSA-N -1 1 423.538 4.155 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000105048506 852688504 /nfs/dbraw/zinc/68/85/04/852688504.db2.gz OPHQJZWOCXSXIA-LJQANCHMSA-N -1 1 420.542 4.306 20 0 HIADMM CCOC(=O)C1=C(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)[N-]c2ccccc2N=C1C ZINC000107835388 852802216 /nfs/dbraw/zinc/80/22/16/852802216.db2.gz HPSXIMUTTSIAQF-ZIAGYGMSSA-N -1 1 423.435 4.464 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cs3)cc2)cc1 ZINC000108029201 852817894 /nfs/dbraw/zinc/81/78/94/852817894.db2.gz MVAFRCAHYRAEHR-UHFFFAOYSA-N -1 1 420.537 4.190 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)c(F)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000108239370 852831368 /nfs/dbraw/zinc/83/13/68/852831368.db2.gz UPLKAFYYSGGSDK-UHFFFAOYSA-N -1 1 419.787 4.484 20 0 HIADMM COc1ccc(CC[C@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000109311673 852950842 /nfs/dbraw/zinc/95/08/42/852950842.db2.gz PJRAJUJIFBULBE-AWEZNQCLSA-N -1 1 416.572 4.205 20 0 HIADMM CCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000110229679 853075978 /nfs/dbraw/zinc/07/59/78/853075978.db2.gz IOCLAKZHVOWOMG-OAQYLSRUSA-N -1 1 404.466 4.187 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)C3CC3)c2)cc1Cl ZINC000110532047 853113982 /nfs/dbraw/zinc/11/39/82/853113982.db2.gz SDFNNBNZZREAIT-UHFFFAOYSA-N -1 1 413.326 4.337 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)c3cccc(O)c3)c2)c1 ZINC000110736824 853145772 /nfs/dbraw/zinc/14/57/72/853145772.db2.gz IVWYUVDDNNATAA-QGZVFWFLSA-N -1 1 424.522 4.301 20 0 HIADMM CCN1CCc2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc21 ZINC000110811307 853154355 /nfs/dbraw/zinc/15/43/55/853154355.db2.gz ORKDROKHNNVUMQ-UHFFFAOYSA-N -1 1 421.522 4.122 20 0 HIADMM CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000110906597 853166541 /nfs/dbraw/zinc/16/65/41/853166541.db2.gz UCNHXAVTISSDAW-UHFFFAOYSA-N -1 1 420.434 4.160 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(c1ccc2[nH]ccc2c1)[C@@H](C)CC(C)C ZINC000111196942 853220501 /nfs/dbraw/zinc/22/05/01/853220501.db2.gz KOKPOZNTJCQPAX-HNNXBMFYSA-N -1 1 419.529 4.131 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)c2ccccc2)cc1 ZINC000116001367 853277978 /nfs/dbraw/zinc/27/79/78/853277978.db2.gz GYMQUYWZSRBGTC-UHFFFAOYSA-N -1 1 408.523 4.461 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3F)c2)cc1F ZINC000116032639 853279629 /nfs/dbraw/zinc/27/96/29/853279629.db2.gz SHJCOSCSVYMWEG-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000116032668 853279675 /nfs/dbraw/zinc/27/96/75/853279675.db2.gz HTNVUOQYBCUQAF-UHFFFAOYSA-N -1 1 402.398 4.466 20 0 HIADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)Nc1ccc(Cl)cc1C(F)(F)F ZINC000116109704 853283520 /nfs/dbraw/zinc/28/35/20/853283520.db2.gz KOXGGATVAMZFAP-UHFFFAOYSA-N -1 1 409.694 4.138 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CC3CCCC3)ccc2C)cc1 ZINC000116137427 853286129 /nfs/dbraw/zinc/28/61/29/853286129.db2.gz BMQHPNQDPMSYHM-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM O=S(=O)([N-]CC1CCSCC1)c1c(Cl)cc(Br)cc1Cl ZINC000134601429 853372058 /nfs/dbraw/zinc/37/20/58/853372058.db2.gz YVQMSIWSPYLLBZ-UHFFFAOYSA-N -1 1 419.193 4.177 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCc2ccccc21 ZINC000138315214 853383408 /nfs/dbraw/zinc/38/34/08/853383408.db2.gz AUNVZCNKUXOAMD-QFIPXVFZSA-N -1 1 406.507 4.247 20 0 HIADMM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(SCc4cccs4)s3)nn2)cc1 ZINC000142163842 853489400 /nfs/dbraw/zinc/48/94/00/853489400.db2.gz XNHMNFQGOCQOQO-UHFFFAOYSA-N -1 1 414.541 4.033 20 0 HIADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000195667266 853747353 /nfs/dbraw/zinc/74/73/53/853747353.db2.gz PCHHXSLZZQMFBE-NVXWUHKLSA-N -1 1 404.507 4.183 20 0 HIADMM O=C([N-]c1nnc(C2CC2)s1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000196452184 853794421 /nfs/dbraw/zinc/79/44/21/853794421.db2.gz OMXSEEXHKZSIGE-UHFFFAOYSA-N -1 1 412.475 4.116 20 0 HIADMM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)NCc1n[n-]c(=S)n1C1CC1 ZINC000208856498 853808611 /nfs/dbraw/zinc/80/86/11/853808611.db2.gz YEUPJAQFLYMXDE-BHQIHCQQSA-N -1 1 402.829 4.277 20 0 HIADMM COc1ccccc1C=C(C(=O)NCc1n[n-]c(=S)n1C1CC1)c1ccccc1 ZINC000208856664 853808899 /nfs/dbraw/zinc/80/88/99/853808899.db2.gz ABKOFLWRSYPPPE-AQTBWJFISA-N -1 1 406.511 4.141 20 0 HIADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(Br)ccc2[O-])c1 ZINC000215692055 853835968 /nfs/dbraw/zinc/83/59/68/853835968.db2.gz FRZOUQGMYUOMCB-INIZCTEOSA-N -1 1 406.276 4.149 20 0 HIADMM CCOc1cc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc(Cl)c1[O-] ZINC000215962487 853841105 /nfs/dbraw/zinc/84/11/05/853841105.db2.gz RBGUPFQYKBQXQG-UHFFFAOYSA-N -1 1 404.894 4.080 20 0 HIADMM Cc1cc([C@@H](C)NC(=O)c2ccc(I)c([O-])c2)c(C)s1 ZINC000230888512 853895956 /nfs/dbraw/zinc/89/59/56/853895956.db2.gz LZLZUYXMBBLNNG-SECBINFHSA-N -1 1 401.269 4.166 20 0 HIADMM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000238132027 854146557 /nfs/dbraw/zinc/14/65/57/854146557.db2.gz WENRWAJEGDNWDD-UHFFFAOYSA-N -1 1 419.815 4.125 20 0 HIADMM CCC[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000261369347 854236491 /nfs/dbraw/zinc/23/64/91/854236491.db2.gz LEENKUVTLKIQJL-WZONZLPQSA-N -1 1 408.542 4.333 20 0 HIADMM CCC[C@H](NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000261369344 854236663 /nfs/dbraw/zinc/23/66/63/854236663.db2.gz LEENKUVTLKIQJL-JPYJTQIMSA-N -1 1 408.542 4.333 20 0 HIADMM Cc1nc(-c2ccc(NCc3cc(Cl)c4c(c3)OCCCO4)nc2)[n-]c(=O)c1C ZINC000301179092 854321187 /nfs/dbraw/zinc/32/11/87/854321187.db2.gz NUGAHQATEHBVLL-UHFFFAOYSA-N -1 1 412.877 4.288 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC[C@H]3CC)c2)cc1 ZINC000301314374 854356293 /nfs/dbraw/zinc/35/62/93/854356293.db2.gz JGSCCWIXJQOFJK-LJQANCHMSA-N -1 1 416.543 4.291 20 0 HIADMM Cc1nc(-c2ccc(NCCOc3cccc(C(F)(F)F)c3)nc2)[n-]c(=O)c1C ZINC000301336468 854363633 /nfs/dbraw/zinc/36/36/33/854363633.db2.gz DCKYKDUCKMGZRW-UHFFFAOYSA-N -1 1 404.392 4.371 20 0 HIADMM Cc1nc(-c2ccc(NCc3cccc(OCC(F)(F)F)c3)nc2)[n-]c(=O)c1C ZINC000301341634 854365231 /nfs/dbraw/zinc/36/52/31/854365231.db2.gz FUBKSEQDCWUHKU-UHFFFAOYSA-N -1 1 404.392 4.414 20 0 HIADMM Cc1nc(-c2ccc(NCCc3ccc(OC(F)(F)F)cc3)nc2)[n-]c(=O)c1C ZINC000301351562 854368596 /nfs/dbraw/zinc/36/85/96/854368596.db2.gz JBUCGCBNDNFVQY-UHFFFAOYSA-N -1 1 404.392 4.414 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2)cc1 ZINC000301385557 854378579 /nfs/dbraw/zinc/37/85/79/854378579.db2.gz NKYHCWWAANFMQT-GCKMJXCFSA-N -1 1 416.543 4.051 20 0 HIADMM Cc1nn(-c2ccccc2)cc1CCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302004107 854514884 /nfs/dbraw/zinc/51/48/84/854514884.db2.gz YZIMUNGOXXACCC-UHFFFAOYSA-N -1 1 414.513 4.400 20 0 HIADMM CC(C)(C)c1nsc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)n1 ZINC000302548704 854583571 /nfs/dbraw/zinc/58/35/71/854583571.db2.gz VKCAVOCEYYXHJR-UHFFFAOYSA-N -1 1 402.545 4.249 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000302893157 854669226 /nfs/dbraw/zinc/66/92/26/854669226.db2.gz WVYLMFOSHLWHAP-UHFFFAOYSA-N -1 1 400.504 4.124 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC(C)(C)c2cccc(C)c2)cc1 ZINC000302981385 854707435 /nfs/dbraw/zinc/70/74/35/854707435.db2.gz KLAUPBIOBDRECV-UHFFFAOYSA-N -1 1 424.570 4.409 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCN(c3ccccc3)CC2)c1 ZINC000302998116 854716294 /nfs/dbraw/zinc/71/62/94/854716294.db2.gz UDEYUIZPZNHJMN-UHFFFAOYSA-N -1 1 421.570 4.045 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1Br ZINC000437332406 862603595 /nfs/dbraw/zinc/60/35/95/862603595.db2.gz MRSRLJWCNNIHTF-BDAKNGLRSA-N -1 1 406.289 4.158 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC2(c3ccccc3C)CCCCC2)c(=O)[n-]1 ZINC000303187074 854808218 /nfs/dbraw/zinc/80/82/18/854808218.db2.gz YKBHWNJOEHMCLO-UHFFFAOYSA-N -1 1 413.587 4.472 20 0 HIADMM CCOc1ccc(CNC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1F ZINC000303251894 854836009 /nfs/dbraw/zinc/83/60/09/854836009.db2.gz FWSQMPOHXNIFKE-UHFFFAOYSA-N -1 1 414.506 4.160 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C[C@H](C)CC)c2)cc1 ZINC000303452906 854952244 /nfs/dbraw/zinc/95/22/44/854952244.db2.gz FLLJJOKHAITRPM-MRXNPFEDSA-N -1 1 404.532 4.004 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C[C@@H](C)CC)c2)cc1 ZINC000303452904 854952404 /nfs/dbraw/zinc/95/24/04/854952404.db2.gz FLLJJOKHAITRPM-INIZCTEOSA-N -1 1 404.532 4.004 20 0 HIADMM NC(=O)c1cc(-c2csc(C3(NC(=O)c4ccccc4)CCCCC3)n2)ccc1[O-] ZINC000303581351 855055961 /nfs/dbraw/zinc/05/59/61/855055961.db2.gz RDRNZVHDVIEGGX-UHFFFAOYSA-N -1 1 421.522 4.204 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](=O)c3ccccc3)c2)ccc1F ZINC000303638177 855094472 /nfs/dbraw/zinc/09/44/72/855094472.db2.gz QEWSPIYSYHISNX-SANMLTNESA-N -1 1 403.500 4.243 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303668830 855120507 /nfs/dbraw/zinc/12/05/07/855120507.db2.gz JCSWISUHXYXRBX-UHFFFAOYSA-N -1 1 406.120 4.112 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(c4ccccc4F)CC3)cc2)cc1 ZINC000303672444 855122921 /nfs/dbraw/zinc/12/29/21/855122921.db2.gz DQWKUHDSBOWNKC-UHFFFAOYSA-N -1 1 424.497 4.354 20 0 HIADMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000303806154 855210566 /nfs/dbraw/zinc/21/05/66/855210566.db2.gz UGZLDAQECRNFBA-TVQRCGJNSA-N -1 1 424.769 4.219 20 0 HIADMM CCCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000303812840 855215058 /nfs/dbraw/zinc/21/50/58/855215058.db2.gz IQQCAPUQFXJZAJ-MSOLQXFVSA-N -1 1 421.607 4.122 20 0 HIADMM CC(C)(C)Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n[nH]1 ZINC000303894468 855274706 /nfs/dbraw/zinc/27/47/06/855274706.db2.gz KQEGCOKVFLWCBD-UHFFFAOYSA-N -1 1 412.515 4.051 20 0 HIADMM Cc1cc(C)cc(CCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000303947684 855311574 /nfs/dbraw/zinc/31/15/74/855311574.db2.gz ZLSCAGPDMIJESU-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM O=S(=O)([N-]c1c2nsnc2ccc1Cl)c1ccc(F)cc1Br ZINC000316716129 855379984 /nfs/dbraw/zinc/37/99/84/855379984.db2.gz HGKJVJNWMIQQRZ-UHFFFAOYSA-N -1 1 422.688 4.047 20 0 HIADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000319952516 855386956 /nfs/dbraw/zinc/38/69/56/855386956.db2.gz HTOTVICSDAETEK-UHFFFAOYSA-N -1 1 419.684 4.428 20 0 HIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(Cl)cnc2Br)c1 ZINC000323634401 855396760 /nfs/dbraw/zinc/39/67/60/855396760.db2.gz QETVFNNUKFHVPD-UHFFFAOYSA-N -1 1 412.696 4.155 20 0 HIADMM CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000324909205 855400793 /nfs/dbraw/zinc/40/07/93/855400793.db2.gz FOBPLMVQGPRMIO-STQMWFEESA-N -1 1 419.341 4.241 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3ncsc3c2)c(Cl)cc1Cl ZINC000325966786 855406524 /nfs/dbraw/zinc/40/65/24/855406524.db2.gz SOVVLMHUNUIWLT-UHFFFAOYSA-N -1 1 403.268 4.102 20 0 HIADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1Cl ZINC000326342150 855409604 /nfs/dbraw/zinc/40/96/04/855409604.db2.gz BQGSOXRXPMXBHC-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM COc1ccc2c(c1)CCC[C@]2(NCc1cc(F)ccc1Br)C(=O)[O-] ZINC000409449388 855484224 /nfs/dbraw/zinc/48/42/24/855484224.db2.gz LJEZEAUHMVMPAD-LJQANCHMSA-N -1 1 408.267 4.003 20 0 HIADMM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000409576475 855548409 /nfs/dbraw/zinc/54/84/09/855548409.db2.gz VUNWKNXUQARUFM-UHFFFAOYSA-N -1 1 415.415 4.184 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cc(Cl)ccc1Cl ZINC000409824666 855674626 /nfs/dbraw/zinc/67/46/26/855674626.db2.gz MUZANENLQNUGNT-SNVBAGLBSA-N -1 1 419.330 4.154 20 0 HIADMM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000409855274 855690116 /nfs/dbraw/zinc/69/01/16/855690116.db2.gz IUSTVPNZVOFNQN-UHFFFAOYSA-N -1 1 418.733 4.283 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc1Cl ZINC000409865487 855694920 /nfs/dbraw/zinc/69/49/20/855694920.db2.gz FRFTYSHIUVNWGT-UHFFFAOYSA-N -1 1 422.934 4.212 20 0 HIADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410367258 855955301 /nfs/dbraw/zinc/95/53/01/855955301.db2.gz SQNGYKSPKNUJPH-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000410417806 855986577 /nfs/dbraw/zinc/98/65/77/855986577.db2.gz LMLHDNOEKQJIHH-UHFFFAOYSA-N -1 1 411.405 4.095 20 0 HIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cnc([C@H]2CCCO2)s1 ZINC000426284012 856220701 /nfs/dbraw/zinc/22/07/01/856220701.db2.gz SJQLTBCODULPCR-GFCCVEGCSA-N -1 1 406.920 4.343 20 0 HIADMM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc(Cl)c1OC ZINC000426719034 856431788 /nfs/dbraw/zinc/43/17/88/856431788.db2.gz DAQQSQVKKDGFJU-MRXNPFEDSA-N -1 1 402.249 4.455 20 0 HIADMM Cc1cc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)ccc1Br ZINC000426723658 856435738 /nfs/dbraw/zinc/43/57/38/856435738.db2.gz ZRAFQPGPWUCZBL-IBGZPJMESA-N -1 1 414.303 4.249 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000426746226 856451334 /nfs/dbraw/zinc/45/13/34/856451334.db2.gz XQSYQQROBVZTMT-OAHLLOKOSA-N -1 1 418.209 4.392 20 0 HIADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(Br)c2)o1 ZINC000426774060 856470238 /nfs/dbraw/zinc/47/02/38/856470238.db2.gz MGFVIEZDNRYZQO-LBPRGKRZSA-N -1 1 404.207 4.258 20 0 HIADMM O=C([O-])[C@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1F ZINC000426780415 856474414 /nfs/dbraw/zinc/47/44/14/856474414.db2.gz RNIQVQZEZNIQLU-GOSISDBHSA-N -1 1 407.367 4.005 20 0 HIADMM COc1ccc(CN[C@@H](C(=O)[O-])c2c(C)nn(-c3cccc(Cl)c3)c2C)cc1F ZINC000426790851 856480632 /nfs/dbraw/zinc/48/06/32/856480632.db2.gz GCDGEFLYJFKXNR-HXUWFJFHSA-N -1 1 417.868 4.206 20 0 HIADMM COc1ccc([C@H](CC(=O)[O-])NCc2cc(F)cc(C(F)(F)F)c2)cc1OC ZINC000426793688 856482427 /nfs/dbraw/zinc/48/24/27/856482427.db2.gz QZHQWDSRMYTDCI-HNNXBMFYSA-N -1 1 401.356 4.167 20 0 HIADMM COc1cccc(C[C@@H](NCc2ccc(-c3nc4ccccc4s3)o2)C(=O)[O-])c1 ZINC000426802587 856486639 /nfs/dbraw/zinc/48/66/39/856486639.db2.gz WQLCVFNSMBLSFM-GOSISDBHSA-N -1 1 408.479 4.350 20 0 HIADMM O=C([O-])C[C@@H](NCc1cc(Cl)cc2c1OCC2)c1cccc(Br)c1 ZINC000426814583 856493565 /nfs/dbraw/zinc/49/35/65/856493565.db2.gz HLKNXHIQIGLKJI-MRXNPFEDSA-N -1 1 410.695 4.343 20 0 HIADMM CCCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1OC ZINC000426829940 856503068 /nfs/dbraw/zinc/50/30/68/856503068.db2.gz TVOKMLXAZITZGK-GOSISDBHSA-N -1 1 411.857 4.201 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000437463392 862826674 /nfs/dbraw/zinc/82/66/74/862826674.db2.gz SBZGLYFYGRKYJM-XUTJKUGGSA-N -1 1 406.507 4.163 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000427209266 856714081 /nfs/dbraw/zinc/71/40/81/856714081.db2.gz MMHVELXKRJYXGW-OAQYLSRUSA-N -1 1 416.525 4.109 20 0 HIADMM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC000437467629 862829789 /nfs/dbraw/zinc/82/97/89/862829789.db2.gz AFPWRBDAFHWHDK-QRWLVFNGSA-N -1 1 420.513 4.386 20 0 HIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427276330 856748052 /nfs/dbraw/zinc/74/80/52/856748052.db2.gz TUAPACWAUXVDBO-UHFFFAOYSA-N -1 1 411.760 4.381 20 0 HIADMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c1 ZINC000427290410 856754835 /nfs/dbraw/zinc/75/48/35/856754835.db2.gz ARXHACKTFOQVTK-UHFFFAOYSA-N -1 1 420.874 4.281 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)CC(C)(C)O4)cc2s1 ZINC000427310336 856764500 /nfs/dbraw/zinc/76/45/00/856764500.db2.gz YYAJIRMDTNXGEW-UHFFFAOYSA-N -1 1 402.497 4.149 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c1 ZINC000427338909 856780230 /nfs/dbraw/zinc/78/02/30/856780230.db2.gz RTZBJUVIPCFPMC-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3N3C[C@H](C)O[C@@H](C)C3)cc2s1 ZINC000427755072 856940011 /nfs/dbraw/zinc/94/00/11/856940011.db2.gz HMINVYNBWDZDHU-KBPBESRZSA-N -1 1 417.556 4.019 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1nc(C2CC2)no1 ZINC000427855580 856983898 /nfs/dbraw/zinc/98/38/98/856983898.db2.gz LFDGCBWIFQPORG-CQSZACIVSA-N -1 1 404.319 4.071 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCS[C@H](C)CC3)c2)c1 ZINC000427919492 857007519 /nfs/dbraw/zinc/00/75/19/857007519.db2.gz XTTACYCMFYORMZ-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000428102782 857071986 /nfs/dbraw/zinc/07/19/86/857071986.db2.gz WWWLDTLEOMJLEK-PIIMJCKOSA-N -1 1 424.444 4.035 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c1 ZINC000428193380 857105538 /nfs/dbraw/zinc/10/55/38/857105538.db2.gz GDJDIOROFYVZKS-UHFFFAOYSA-N -1 1 411.483 4.115 20 0 HIADMM Cc1ccc(NC(=O)CC(C)(F)F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000428367263 857177631 /nfs/dbraw/zinc/17/76/31/857177631.db2.gz PKZIAAGDZLTYNJ-UHFFFAOYSA-N -1 1 402.850 4.433 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000428525265 857240219 /nfs/dbraw/zinc/24/02/19/857240219.db2.gz YVYOJUXCXGINBM-IFXJQAMLSA-N -1 1 404.919 4.155 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C3(C)CCCC3)c2)cc1 ZINC000428660330 857292540 /nfs/dbraw/zinc/29/25/40/857292540.db2.gz BTFPXABURCYCGM-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1(C)CCCC1 ZINC000428668215 857293160 /nfs/dbraw/zinc/29/31/60/857293160.db2.gz YUCOWKQGRRDXDT-UHFFFAOYSA-N -1 1 408.470 4.170 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2cccc(O)c2)c1 ZINC000430247580 858095771 /nfs/dbraw/zinc/09/57/71/858095771.db2.gz VRUXQEVPACFSNA-QGZVFWFLSA-N -1 1 424.522 4.301 20 0 HIADMM O=C(Nc1nc2ccccc2[nH]1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430395695 858144687 /nfs/dbraw/zinc/14/46/87/858144687.db2.gz BAIPYJKHMNAEOW-UHFFFAOYSA-N -1 1 417.650 4.073 20 0 HIADMM C[C@H]1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000430448088 858170339 /nfs/dbraw/zinc/17/03/39/858170339.db2.gz OOYXTMYHKVMQJV-KBXCAEBGSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CC[C@H](C)C3)cc2)c1C ZINC000430470169 858182447 /nfs/dbraw/zinc/18/24/47/858182447.db2.gz RGJGGRFIFZWXKY-KXBFYZLASA-N -1 1 400.544 4.365 20 0 HIADMM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1 ZINC000431272584 858542356 /nfs/dbraw/zinc/54/23/56/858542356.db2.gz XVJRQQBCXXWZKU-JSGCOSHPSA-N -1 1 421.868 4.192 20 0 HIADMM O=C(COc1ccc(F)cc1)Nc1cc([O-])c(Br)cc1Br ZINC000431450244 858621814 /nfs/dbraw/zinc/62/18/14/858621814.db2.gz DHYHPRTWVQOAHZ-UHFFFAOYSA-N -1 1 419.044 4.074 20 0 HIADMM O=C(Cc1cccc(F)c1)Nc1cc([O-])c(Br)cc1Br ZINC000431450500 858622821 /nfs/dbraw/zinc/62/28/21/858622821.db2.gz FDBHHDKHXBPJKV-UHFFFAOYSA-N -1 1 403.045 4.238 20 0 HIADMM COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c3ccccc3)c1)CC2 ZINC000431495625 858643730 /nfs/dbraw/zinc/64/37/30/858643730.db2.gz QHEPYYHKOXFWFU-NRFANRHFSA-N -1 1 422.506 4.165 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431889894 858857576 /nfs/dbraw/zinc/85/75/76/858857576.db2.gz ACMSHMYQBWSFCQ-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431919376 858870127 /nfs/dbraw/zinc/87/01/27/858870127.db2.gz PMDRQJLTWOETTJ-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1OCC ZINC000432203638 859044669 /nfs/dbraw/zinc/04/46/69/859044669.db2.gz OHTOFMODOYHWPT-UHFFFAOYSA-N -1 1 402.472 4.303 20 0 HIADMM CC(C)c1cnc(-c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cc2)o1 ZINC000432207066 859046364 /nfs/dbraw/zinc/04/63/64/859046364.db2.gz ULVIDXLCDXOXEQ-UHFFFAOYSA-N -1 1 409.467 4.107 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000432422737 859157501 /nfs/dbraw/zinc/15/75/01/859157501.db2.gz GMWGTXGKMCZMTA-LEWJYISDSA-N -1 1 407.495 4.165 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2noc(C3CC3)n2)c1)c1ccc(Br)cc1 ZINC000432487841 859189568 /nfs/dbraw/zinc/18/95/68/859189568.db2.gz HRYYMOXPRDWKHU-UHFFFAOYSA-N -1 1 420.288 4.177 20 0 HIADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000432617430 859256952 /nfs/dbraw/zinc/25/69/52/859256952.db2.gz ODKOYGDMWKATNV-CQSZACIVSA-N -1 1 420.481 4.170 20 0 HIADMM COC(=O)c1c[n-]c(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)n1 ZINC000432672918 859284646 /nfs/dbraw/zinc/28/46/46/859284646.db2.gz VLOXMIIWYYCHRB-UHFFFAOYSA-N -1 1 422.919 4.283 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4cscn4)no3)c2)cc1F ZINC000432692727 859298601 /nfs/dbraw/zinc/29/86/01/859298601.db2.gz KSQPGGXYNMOZEO-UHFFFAOYSA-N -1 1 416.459 4.108 20 0 HIADMM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000432760017 859338965 /nfs/dbraw/zinc/33/89/65/859338965.db2.gz YBQFSKZEJUAIMS-UHFFFAOYSA-N -1 1 407.692 4.108 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1NC(C)(C)C ZINC000467659133 881454063 /nfs/dbraw/zinc/45/40/63/881454063.db2.gz YJXBJOFBZZOQBA-UHFFFAOYSA-N -1 1 405.502 4.334 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1occc1Br ZINC000434235911 860219606 /nfs/dbraw/zinc/21/96/06/860219606.db2.gz QTXGWGPXQFKDFX-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM CCSCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000434281498 860248975 /nfs/dbraw/zinc/24/89/75/860248975.db2.gz QZFYCQDQBSLIJF-KRWDZBQOSA-N -1 1 420.600 4.400 20 0 HIADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000434291482 860256416 /nfs/dbraw/zinc/25/64/16/860256416.db2.gz CYSSIVLVOZULGB-QGZVFWFLSA-N -1 1 420.600 4.400 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)s1 ZINC000434369823 860316515 /nfs/dbraw/zinc/31/65/15/860316515.db2.gz MXAPELFHUUTDAU-UHFFFAOYSA-N -1 1 419.503 4.261 20 0 HIADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000434635194 860441668 /nfs/dbraw/zinc/44/16/68/860441668.db2.gz FKTSRPXBWOZLDC-UHFFFAOYSA-N -1 1 408.483 4.051 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 ZINC000467748505 881554074 /nfs/dbraw/zinc/55/40/74/881554074.db2.gz YUGOVHKDMULCHG-SUMWQHHRSA-N -1 1 407.488 4.182 20 0 HIADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)[nH]n1 ZINC000434957768 860573870 /nfs/dbraw/zinc/57/38/70/860573870.db2.gz AISYMOUFUDNGIB-UHFFFAOYSA-N -1 1 410.268 4.088 20 0 HIADMM CS[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1 ZINC000435389671 860781486 /nfs/dbraw/zinc/78/14/86/860781486.db2.gz NVMOLGOKNPTJRI-LJQANCHMSA-N -1 1 418.584 4.154 20 0 HIADMM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1c(Cl)cc(F)cc1Cl ZINC000435431959 860797133 /nfs/dbraw/zinc/79/71/33/860797133.db2.gz LBSMXJQTCXMZFI-UHFFFAOYSA-N -1 1 403.306 4.080 20 0 HIADMM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cc(Cl)sc1Cl ZINC000435589667 860898570 /nfs/dbraw/zinc/89/85/70/860898570.db2.gz RPUWELAUABFDAT-BDAKNGLRSA-N -1 1 414.282 4.491 20 0 HIADMM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000467793551 881617067 /nfs/dbraw/zinc/61/70/67/881617067.db2.gz VOQMTLGUMXDQEK-GJZGRUSLSA-N -1 1 416.362 4.018 20 0 HIADMM CSc1ccc([C@@H](C)NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000467798725 881623170 /nfs/dbraw/zinc/62/31/70/881623170.db2.gz NHEZYYLMKZCKMZ-SNVBAGLBSA-N -1 1 413.280 4.210 20 0 HIADMM COc1cc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2C)ccc1[N-]S(C)(=O)=O ZINC000438075129 863464039 /nfs/dbraw/zinc/46/40/39/863464039.db2.gz HNRRLBDZHMNJIQ-LJQANCHMSA-N -1 1 417.531 4.053 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000438246350 863706969 /nfs/dbraw/zinc/70/69/69/863706969.db2.gz ZZRSAZQRTMZIHO-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000438249920 863715049 /nfs/dbraw/zinc/71/50/49/863715049.db2.gz XLTBTIXNLVVUPN-UHFFFAOYSA-N -1 1 423.466 4.037 20 0 HIADMM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000467861444 881712629 /nfs/dbraw/zinc/71/26/29/881712629.db2.gz CYEZEAKFGCFKSV-ZFWWWQNUSA-N -1 1 421.278 4.405 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccsc3Cl)c2)cc1 ZINC000438570285 864003901 /nfs/dbraw/zinc/00/39/01/864003901.db2.gz IJCFHGCTSBLPJU-UHFFFAOYSA-N -1 1 422.915 4.463 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)o1 ZINC000438720944 864202213 /nfs/dbraw/zinc/20/22/13/864202213.db2.gz IINQOMXOFLHLSP-UHFFFAOYSA-N -1 1 415.368 4.258 20 0 HIADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccc(F)c(Br)c1 ZINC000438766185 864260268 /nfs/dbraw/zinc/26/02/68/864260268.db2.gz WFLZYDXLAJYZPO-UHFFFAOYSA-N -1 1 412.202 4.494 20 0 HIADMM O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1c(F)ccc([O-])c1F ZINC000438766828 864262294 /nfs/dbraw/zinc/26/22/94/864262294.db2.gz TVCBRACYWZEZER-UHFFFAOYSA-N -1 1 404.316 4.474 20 0 HIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438773360 864268190 /nfs/dbraw/zinc/26/81/90/864268190.db2.gz RWGMHUJOKFFGPE-UHFFFAOYSA-N -1 1 416.543 4.020 20 0 HIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)c2)n1 ZINC000438774745 864269628 /nfs/dbraw/zinc/26/96/28/864269628.db2.gz FVKDQEPWSXVYJD-UHFFFAOYSA-N -1 1 422.279 4.154 20 0 HIADMM O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccc(F)c(Br)c1 ZINC000438777673 864271590 /nfs/dbraw/zinc/27/15/90/864271590.db2.gz PMGXVNMDLWBETO-UHFFFAOYSA-N -1 1 412.202 4.494 20 0 HIADMM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000438788144 864281905 /nfs/dbraw/zinc/28/19/05/864281905.db2.gz BENZIPUCQPLPIN-UHFFFAOYSA-N -1 1 420.210 4.145 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438802118 864292663 /nfs/dbraw/zinc/29/26/63/864292663.db2.gz UYOCWCBLZSMJCK-GJZGRUSLSA-N -1 1 418.534 4.361 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1Br ZINC000438814174 864305120 /nfs/dbraw/zinc/30/51/20/864305120.db2.gz VVFUAWJPPMWHKN-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)ccc1Br ZINC000439263442 864680867 /nfs/dbraw/zinc/68/08/67/864680867.db2.gz XLBPSJHLDGOUIX-UHFFFAOYSA-N -1 1 410.318 4.077 20 0 HIADMM C[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1)n1cccn1 ZINC000439573473 864895542 /nfs/dbraw/zinc/89/55/42/864895542.db2.gz OXGGLGJACHJWAW-INIZCTEOSA-N -1 1 420.494 4.037 20 0 HIADMM O=C(CCc1ccoc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000439666819 864997617 /nfs/dbraw/zinc/99/76/17/864997617.db2.gz ISPQRCJVAMPSEM-UHFFFAOYSA-N -1 1 404.875 4.305 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2o1 ZINC000439881561 865193916 /nfs/dbraw/zinc/19/39/16/865193916.db2.gz WLHRHMRDBLSCMH-UHFFFAOYSA-N -1 1 401.271 4.124 20 0 HIADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000440125678 865370900 /nfs/dbraw/zinc/37/09/00/865370900.db2.gz ZVXJDDDPINZKEB-OSGXGRJZSA-N -1 1 406.526 4.235 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCCS2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000440368679 865653652 /nfs/dbraw/zinc/65/36/52/865653652.db2.gz SREJGFMIPDMAQQ-MRXNPFEDSA-N -1 1 410.948 4.283 20 0 HIADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000440405526 865699094 /nfs/dbraw/zinc/69/90/94/865699094.db2.gz NWOSWEJWALTQMO-HUUCEWRRSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CC[C@H]3C)cc2)cc1C ZINC000440414375 865709277 /nfs/dbraw/zinc/70/92/77/865709277.db2.gz OMUHLZJLMWXJAX-MAUKXSAKSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)CC[C@@H]3C)c2)c1 ZINC000440415894 865712658 /nfs/dbraw/zinc/71/26/58/865712658.db2.gz NIWAPKAWURDUEB-AEFFLSMTSA-N -1 1 400.544 4.365 20 0 HIADMM CCOCc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000440431327 865732589 /nfs/dbraw/zinc/73/25/89/865732589.db2.gz HJIGVMIIGHVWBE-UHFFFAOYSA-N -1 1 410.495 4.276 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCCC(F)(F)F ZINC000440547869 865815142 /nfs/dbraw/zinc/81/51/42/865815142.db2.gz KMTQISYFVZAHPQ-UHFFFAOYSA-N -1 1 418.412 4.007 20 0 HIADMM COc1cccc([C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc2Cl)c1 ZINC000440592857 865828012 /nfs/dbraw/zinc/82/80/12/865828012.db2.gz XVRFTGKUPXMBBR-FQEVSTJZSA-N -1 1 419.868 4.105 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(CC(F)F)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000440667066 865860714 /nfs/dbraw/zinc/86/07/14/865860714.db2.gz PFKYFVAAHYLMQD-UHFFFAOYSA-N -1 1 401.866 4.097 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)ccc1OC ZINC000440820733 865935242 /nfs/dbraw/zinc/93/52/42/865935242.db2.gz ZBMDDQMEDDPIMD-UHFFFAOYSA-N -1 1 412.467 4.026 20 0 HIADMM COc1ccc(-c2cc3[n-]c(CN4CCCC[C@@H](SC)C4)nc(=O)c3s2)cc1 ZINC000441127279 866221609 /nfs/dbraw/zinc/22/16/09/866221609.db2.gz ZOGRQCMPOAVIGE-MRXNPFEDSA-N -1 1 415.584 4.378 20 0 HIADMM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c(C)c1 ZINC000442359694 867346754 /nfs/dbraw/zinc/34/67/54/867346754.db2.gz LBWAMGHHKUIRIQ-HNNXBMFYSA-N -1 1 406.573 4.388 20 0 HIADMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc2O1 ZINC000442850022 867696828 /nfs/dbraw/zinc/69/68/28/867696828.db2.gz HWLPVYCFZKZYGO-HXUWFJFHSA-N -1 1 401.488 4.315 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(C)(C)C)cc2)cc1Cl ZINC000442851612 867699223 /nfs/dbraw/zinc/69/92/23/867699223.db2.gz WXGBLWHOLCUHGT-UHFFFAOYSA-N -1 1 401.937 4.021 20 0 HIADMM COc1cc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)cc(Cl)c1[O-] ZINC000442933725 867749358 /nfs/dbraw/zinc/74/93/58/867749358.db2.gz FYLUHDMKNUWTFA-UHFFFAOYSA-N -1 1 417.918 4.063 20 0 HIADMM COc1cc(C(=O)NC(C)(C)COc2ncccc2C(F)(F)F)cc(Cl)c1[O-] ZINC000443056942 867805246 /nfs/dbraw/zinc/80/52/46/867805246.db2.gz IICLBWPSMFMOTJ-UHFFFAOYSA-N -1 1 418.799 4.055 20 0 HIADMM COc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc(Cl)c1[O-] ZINC000443064821 867808348 /nfs/dbraw/zinc/80/83/48/867808348.db2.gz YYFIJTHTGQSHKV-SNVBAGLBSA-N -1 1 405.813 4.043 20 0 HIADMM COc1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)cc(Cl)c1[O-] ZINC000443220181 867880427 /nfs/dbraw/zinc/88/04/27/867880427.db2.gz ICOOCTHSUNAAIX-MAZHCROVSA-N -1 1 409.910 4.169 20 0 HIADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(Br)s1 ZINC000443399443 867959777 /nfs/dbraw/zinc/95/97/77/867959777.db2.gz MRVVUOKFEXAXNL-SSDOTTSWSA-N -1 1 405.111 4.470 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)cc1 ZINC000443414352 867997094 /nfs/dbraw/zinc/99/70/94/867997094.db2.gz IFGLWERXBYOPHD-UHFFFAOYSA-N -1 1 409.813 4.228 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)c(C)c1F ZINC000443419995 868004485 /nfs/dbraw/zinc/00/44/85/868004485.db2.gz XQLXLMRDIJIQIS-UHFFFAOYSA-N -1 1 411.348 4.024 20 0 HIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000443460850 868050351 /nfs/dbraw/zinc/05/03/51/868050351.db2.gz LVJIZZFKVZAAKL-UHFFFAOYSA-N -1 1 402.697 4.496 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@](C)(CC)C3)cc2)cc1 ZINC000468265495 882183801 /nfs/dbraw/zinc/18/38/01/882183801.db2.gz VLZLHRJMFKYIRZ-JOCHJYFZSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCCc3cccnc32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000443946511 868484052 /nfs/dbraw/zinc/48/40/52/868484052.db2.gz YEDKPDOTRNFYPP-FQEVSTJZSA-N -1 1 421.522 4.249 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C3CCC3)[nH]c2c1)c1cnc(-c2ccccc2)nc1 ZINC000444052457 868591581 /nfs/dbraw/zinc/59/15/81/868591581.db2.gz SEOXBWSBGFBEMU-UHFFFAOYSA-N -1 1 405.483 4.088 20 0 HIADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1c(C)cc(Br)cc1Cl ZINC000444066618 868601144 /nfs/dbraw/zinc/60/11/44/868601144.db2.gz URGOPQFVLHCARS-UHFFFAOYSA-N -1 1 420.712 4.229 20 0 HIADMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])co1 ZINC000444284577 868713960 /nfs/dbraw/zinc/71/39/60/868713960.db2.gz FKFIEYGIBIRJPL-UHFFFAOYSA-N -1 1 406.847 4.000 20 0 HIADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000444353025 868782628 /nfs/dbraw/zinc/78/26/28/868782628.db2.gz POZVSRQAHFCACX-QGZVFWFLSA-N -1 1 404.507 4.135 20 0 HIADMM Cc1noc(-c2ccccc2C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)n1 ZINC000444362789 868790189 /nfs/dbraw/zinc/79/01/89/868790189.db2.gz KGUDKHLKFALUAU-UHFFFAOYSA-N -1 1 420.469 4.065 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCCCc2ccccc21 ZINC000444457000 868834821 /nfs/dbraw/zinc/83/48/21/868834821.db2.gz ABSVUHVKCPEFGG-UHFFFAOYSA-N -1 1 402.498 4.245 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3cccc(O)c3)cc2)c1 ZINC000444467272 868840787 /nfs/dbraw/zinc/84/07/87/868840787.db2.gz QNOVNZFZJWERDT-KRWDZBQOSA-N -1 1 424.522 4.301 20 0 HIADMM CC[C@@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(F)(F)F ZINC000444536897 868873144 /nfs/dbraw/zinc/87/31/44/868873144.db2.gz VDDIKYOQAVKCRR-DYVFJYSZSA-N -1 1 414.449 4.194 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCCC12CCC2 ZINC000444607189 868901383 /nfs/dbraw/zinc/90/13/83/868901383.db2.gz HAKRAKTWSFGXTF-UHFFFAOYSA-N -1 1 404.919 4.300 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC34CCC4)cc2)cc1 ZINC000444618376 868911036 /nfs/dbraw/zinc/91/10/36/868911036.db2.gz SSCRDZXEZBQITJ-UHFFFAOYSA-N -1 1 414.527 4.045 20 0 HIADMM COc1cccc(C(=O)c2ccc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cc2)c1 ZINC000444655110 868932805 /nfs/dbraw/zinc/93/28/05/868932805.db2.gz ZTPLYYPWICEMAN-UHFFFAOYSA-N -1 1 413.433 4.274 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC3CCC(c4ccccc4)CC3)CC2)n1 ZINC000444761261 868990797 /nfs/dbraw/zinc/99/07/97/868990797.db2.gz WCUSOVOXURHLAT-UHFFFAOYSA-N -1 1 424.545 4.052 20 0 HIADMM COc1cc(F)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1F ZINC000468352174 882290817 /nfs/dbraw/zinc/29/08/17/882290817.db2.gz KTABBOBLQJVZMG-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CCOc1ccc(OCc2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000445389246 869476043 /nfs/dbraw/zinc/47/60/43/869476043.db2.gz FKEZZPMMGVTCAK-UHFFFAOYSA-N -1 1 421.247 4.191 20 0 HIADMM COc1cc(-c2noc(CSCc3cccnc3)n2)cc(Br)c1[O-] ZINC000445391876 869477519 /nfs/dbraw/zinc/47/75/19/869477519.db2.gz LMSYMFHYNVVUEA-UHFFFAOYSA-N -1 1 408.277 4.042 20 0 HIADMM COc1cc(-c2noc(-c3cc(C)cc4c[nH]nc43)n2)cc(Br)c1[O-] ZINC000445396048 869481710 /nfs/dbraw/zinc/48/17/10/869481710.db2.gz YIQDPCZBTHWBIO-UHFFFAOYSA-N -1 1 401.220 4.065 20 0 HIADMM COc1cc(-c2noc(-c3cc(F)c(F)cc3F)n2)cc(Br)c1[O-] ZINC000445396558 869483062 /nfs/dbraw/zinc/48/30/62/869483062.db2.gz XNQYXYHDGLEXHR-UHFFFAOYSA-N -1 1 401.138 4.298 20 0 HIADMM CCSc1cc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)ccn1 ZINC000445397165 869483116 /nfs/dbraw/zinc/48/31/16/869483116.db2.gz DSAQGCSURXIUGS-UHFFFAOYSA-N -1 1 408.277 4.387 20 0 HIADMM COc1cc(-c2noc(CSCc3cscn3)n2)cc(Br)c1[O-] ZINC000445397677 869483161 /nfs/dbraw/zinc/48/31/61/869483161.db2.gz KWNIRCUOWXCDKB-UHFFFAOYSA-N -1 1 414.306 4.103 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CCCN(C(=O)[C@H](C)CC)C3)n2)cc(Cl)c1[O-] ZINC000445406442 869490495 /nfs/dbraw/zinc/49/04/95/869490495.db2.gz JRDUEEHZRKCJMS-CHWSQXEVSA-N -1 1 407.898 4.246 20 0 HIADMM CCOc1cc(-c2noc(CCc3ccc4c(c3)OCCO4)n2)cc(Cl)c1[O-] ZINC000445425816 869509735 /nfs/dbraw/zinc/50/97/35/869509735.db2.gz FYDALUXQHLDSKP-UHFFFAOYSA-N -1 1 402.834 4.051 20 0 HIADMM CCOc1cc(-c2noc(C3=Cc4cccc(OC)c4OC3)n2)cc(Cl)c1[O-] ZINC000445432065 869516556 /nfs/dbraw/zinc/51/65/56/869516556.db2.gz SNWDANKQJVETIP-UHFFFAOYSA-N -1 1 400.818 4.436 20 0 HIADMM C[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)N1CCN(c2ccc(F)cc2)CC1 ZINC000445442917 869525311 /nfs/dbraw/zinc/52/53/11/869525311.db2.gz DWZJOWDGTOJNSC-ZDUSSCGKSA-N -1 1 402.857 4.118 20 0 HIADMM O=C1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CN1c1ccc(Cl)c(F)c1 ZINC000445447745 869528659 /nfs/dbraw/zinc/52/86/59/869528659.db2.gz PPTRGXOLJXGGDK-SECBINFHSA-N -1 1 408.216 4.409 20 0 HIADMM COc1ccc([C@@H]2[C@H](c3nc(-c4ccc([O-])cc4Cl)no3)CCC(=O)N2C)cc1 ZINC000445451921 869531209 /nfs/dbraw/zinc/53/12/09/869531209.db2.gz MGJRQFBQCDHNFH-VQIMIIECSA-N -1 1 413.861 4.181 20 0 HIADMM O=S(=O)(c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)s1)c1ccccc1 ZINC000445472271 869545057 /nfs/dbraw/zinc/54/50/57/869545057.db2.gz JVBFPDZXBLUGCO-UHFFFAOYSA-N -1 1 402.428 4.143 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cc(C)c(Br)c(C)c3)no2)c1 ZINC000445567268 869626477 /nfs/dbraw/zinc/62/64/77/869626477.db2.gz RGEJECLTYIOXHW-UHFFFAOYSA-N -1 1 402.248 4.447 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(-c3ccc(Cl)o3)no2)cc1 ZINC000445603155 869667932 /nfs/dbraw/zinc/66/79/32/869667932.db2.gz AYBKDNKGVSWVEQ-UHFFFAOYSA-N -1 1 401.831 4.451 20 0 HIADMM COc1cccc(F)c1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468415452 882359725 /nfs/dbraw/zinc/35/97/25/882359725.db2.gz XMRYSFGETLHWOF-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000446364625 870275382 /nfs/dbraw/zinc/27/53/82/870275382.db2.gz VQXGCGBXQBKWLO-UHFFFAOYSA-N -1 1 420.300 4.737 20 0 HIADMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000446619768 870521669 /nfs/dbraw/zinc/52/16/69/870521669.db2.gz JDVCPIDSDZDTKU-UHFFFAOYSA-N -1 1 407.513 4.064 20 0 HIADMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1 ZINC000446631744 870536571 /nfs/dbraw/zinc/53/65/71/870536571.db2.gz OTTFDMZWUBCYEH-UHFFFAOYSA-N -1 1 423.541 4.063 20 0 HIADMM COc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000446666265 870580303 /nfs/dbraw/zinc/58/03/03/870580303.db2.gz JYQYONXGELCSFM-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1cc(Br)cnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000446792399 870709675 /nfs/dbraw/zinc/70/96/75/870709675.db2.gz KSKIQAMJGXFTEB-UHFFFAOYSA-N -1 1 410.120 4.401 20 0 HIADMM CSc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)nc1 ZINC000446818743 870734534 /nfs/dbraw/zinc/73/45/34/870734534.db2.gz PHMONSRSKXERRN-UHFFFAOYSA-N -1 1 407.742 4.161 20 0 HIADMM C[C@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000446892207 870811578 /nfs/dbraw/zinc/81/15/78/870811578.db2.gz IXWMDJKIGRQYBB-SJCJKPOMSA-N -1 1 401.388 4.165 20 0 HIADMM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F ZINC000446946238 870854817 /nfs/dbraw/zinc/85/48/17/870854817.db2.gz OWJDSIODDFFUTK-AWEZNQCLSA-N -1 1 423.869 4.179 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)cc1Cl ZINC000446966931 870867527 /nfs/dbraw/zinc/86/75/27/870867527.db2.gz QHWUJOGTLCJDPC-UHFFFAOYSA-N -1 1 417.918 4.349 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)cc1 ZINC000447267685 871150454 /nfs/dbraw/zinc/15/04/54/871150454.db2.gz QLJFSKUPLKXHQH-UHFFFAOYSA-N -1 1 402.447 4.003 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1OC(C)C ZINC000447266787 871152073 /nfs/dbraw/zinc/15/20/73/871152073.db2.gz YCXNJKDSVWJORQ-UHFFFAOYSA-N -1 1 410.495 4.326 20 0 HIADMM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447274511 871165394 /nfs/dbraw/zinc/16/53/94/871165394.db2.gz NIIGYOOXZCVBSU-UHFFFAOYSA-N -1 1 409.410 4.051 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(-c3noc(C(F)(F)F)n3)c2)c1 ZINC000447276622 871167175 /nfs/dbraw/zinc/16/71/75/871167175.db2.gz CBFXSNMRQXLMAI-UHFFFAOYSA-N -1 1 401.341 4.004 20 0 HIADMM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1nnc(Cc2cccs2)[n-]1 ZINC000447477275 871365253 /nfs/dbraw/zinc/36/52/53/871365253.db2.gz HNUHWGAFCRRHPS-SECBINFHSA-N -1 1 402.328 4.299 20 0 HIADMM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000447477275 871365275 /nfs/dbraw/zinc/36/52/75/871365275.db2.gz HNUHWGAFCRRHPS-SECBINFHSA-N -1 1 402.328 4.299 20 0 HIADMM O=S(=O)(Cc1ccc(Br)s1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447479439 871366380 /nfs/dbraw/zinc/36/63/80/871366380.db2.gz DWSNEZUVJCAWCB-UHFFFAOYSA-N -1 1 401.282 4.014 20 0 HIADMM O=S(=O)(Cc1ccc(Br)s1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447479439 871366391 /nfs/dbraw/zinc/36/63/91/871366391.db2.gz DWSNEZUVJCAWCB-UHFFFAOYSA-N -1 1 401.282 4.014 20 0 HIADMM CC(C)c1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447491717 871373883 /nfs/dbraw/zinc/37/38/83/871373883.db2.gz SPMKPIULNRTNBU-CQSZACIVSA-N -1 1 415.490 4.140 20 0 HIADMM CC(C)c1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447491717 871373901 /nfs/dbraw/zinc/37/39/01/871373901.db2.gz SPMKPIULNRTNBU-CQSZACIVSA-N -1 1 415.490 4.140 20 0 HIADMM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3nnc(-c4cc5ccccc5o4)s3)nn2)c1 ZINC000447582306 871485165 /nfs/dbraw/zinc/48/51/65/871485165.db2.gz YVWNMORFBALBBL-UHFFFAOYSA-N -1 1 420.429 4.232 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](c3ccccc3)[C@H](C)CC)c2)n1 ZINC000447667860 871597501 /nfs/dbraw/zinc/59/75/01/871597501.db2.gz AOBDUTFLCDCCAZ-UZLBHIALSA-N -1 1 420.513 4.095 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1Cl ZINC000447781962 871710556 /nfs/dbraw/zinc/71/05/56/871710556.db2.gz DMNXMWVXMIADOX-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447780737 871711919 /nfs/dbraw/zinc/71/19/19/871711919.db2.gz YRAFFISFYBCALC-UHFFFAOYSA-N -1 1 404.385 4.302 20 0 HIADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000447784128 871716829 /nfs/dbraw/zinc/71/68/29/871716829.db2.gz YVCNTBOLPBAPBL-UHFFFAOYSA-N -1 1 417.405 4.138 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000447860477 871779757 /nfs/dbraw/zinc/77/97/57/871779757.db2.gz GWVDXZZQOARLCE-QFIPXVFZSA-N -1 1 422.504 4.480 20 0 HIADMM CC(C)c1ncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000448147582 872023895 /nfs/dbraw/zinc/02/38/95/872023895.db2.gz MUZWYCACSXXWRD-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM CCCCn1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1C ZINC000448427504 872376866 /nfs/dbraw/zinc/37/68/66/872376866.db2.gz UBOGWKVTNCUXHM-OAQYLSRUSA-N -1 1 420.513 4.094 20 0 HIADMM Cc1sccc1CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000468562758 882619854 /nfs/dbraw/zinc/61/98/54/882619854.db2.gz CJQWRANHLBWDDM-UHFFFAOYSA-N -1 1 422.478 4.317 20 0 HIADMM COc1cc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc(Cl)c1[O-] ZINC000460191768 872762880 /nfs/dbraw/zinc/76/28/80/872762880.db2.gz UTFHEPLIHBTHFK-UHFFFAOYSA-N -1 1 402.878 4.113 20 0 HIADMM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000460420895 873079971 /nfs/dbraw/zinc/07/99/71/873079971.db2.gz OZEOUQFSLVVLCF-GOSISDBHSA-N -1 1 401.576 4.323 20 0 HIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc1-c1ccccc1 ZINC000460427377 873089717 /nfs/dbraw/zinc/08/97/17/873089717.db2.gz MJYNUMABJKZFJE-ZDUSSCGKSA-N -1 1 409.467 4.006 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)cc1 ZINC000460439237 873106241 /nfs/dbraw/zinc/10/62/41/873106241.db2.gz XMNNZPZWVDZITM-UHFFFAOYSA-N -1 1 420.437 4.243 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000460714640 873505750 /nfs/dbraw/zinc/50/57/50/873505750.db2.gz PZNPFEWZHXLCRZ-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CCCc1ncc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000460716025 873509228 /nfs/dbraw/zinc/50/92/28/873509228.db2.gz SOZNKHUXRDSQQH-UHFFFAOYSA-N -1 1 415.540 4.457 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1OCC1CCOCC1 ZINC000460838316 873727341 /nfs/dbraw/zinc/72/73/41/873727341.db2.gz RLHTYWXDALMQBF-UHFFFAOYSA-N -1 1 407.507 4.357 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc(C)c1F ZINC000460842217 873732593 /nfs/dbraw/zinc/73/25/93/873732593.db2.gz JTRLRCMSVXQINH-MRXNPFEDSA-N -1 1 404.507 4.258 20 0 HIADMM CCSc1cc(Cl)ccc1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000460861996 873765194 /nfs/dbraw/zinc/76/51/94/873765194.db2.gz OAJAZEZRLRTOED-UHFFFAOYSA-N -1 1 414.936 4.084 20 0 HIADMM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)[C@@H]1C1CC1 ZINC000460964562 873861578 /nfs/dbraw/zinc/86/15/78/873861578.db2.gz PKYLZVGLBCBSQJ-LJQANCHMSA-N -1 1 418.946 4.401 20 0 HIADMM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)[C@H]1C1CC1 ZINC000460968431 873864777 /nfs/dbraw/zinc/86/47/77/873864777.db2.gz OHNBBAGLRXDJBI-IBGZPJMESA-N -1 1 418.946 4.401 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)cc2)c1 ZINC000460976916 873870723 /nfs/dbraw/zinc/87/07/23/873870723.db2.gz DXSYMUCBRXMCRH-OAQYLSRUSA-N -1 1 412.555 4.365 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000461187492 874180311 /nfs/dbraw/zinc/18/03/11/874180311.db2.gz FHTMLDPMYLNGCA-QGZVFWFLSA-N -1 1 418.559 4.038 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000461191773 874185555 /nfs/dbraw/zinc/18/55/55/874185555.db2.gz IMVYTNGABIWWIT-DYESRHJHSA-N -1 1 416.525 4.137 20 0 HIADMM Cc1sc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)c(C(=O)c2ccc(C)cc2)c1C ZINC000461211939 874213824 /nfs/dbraw/zinc/21/38/24/874213824.db2.gz WTYWUAMBYDUYNP-UHFFFAOYSA-N -1 1 417.508 4.153 20 0 HIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)cc2)c1C ZINC000461211814 874214866 /nfs/dbraw/zinc/21/48/66/874214866.db2.gz NYQLBWZTYMZPGB-UHFFFAOYSA-N -1 1 413.396 4.448 20 0 HIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3Br)cc2)c1C ZINC000461215703 874217844 /nfs/dbraw/zinc/21/78/44/874217844.db2.gz WSCMHZRCXVBXOU-UHFFFAOYSA-N -1 1 420.332 4.361 20 0 HIADMM CC(C)c1cnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)s1 ZINC000461268151 874276440 /nfs/dbraw/zinc/27/64/40/874276440.db2.gz AEONWDBJMSAWEV-UHFFFAOYSA-N -1 1 419.503 4.459 20 0 HIADMM O=S(=O)([N-]c1cccc(C2CCC2)c1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000461338202 874349853 /nfs/dbraw/zinc/34/98/53/874349853.db2.gz GJGBCAHOSPKFPJ-OAHLLOKOSA-N -1 1 405.491 4.309 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000461359901 874361145 /nfs/dbraw/zinc/36/11/45/874361145.db2.gz GPFQOUQCCAWCRA-UHFFFAOYSA-N -1 1 412.465 4.084 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468714054 882825760 /nfs/dbraw/zinc/82/57/60/882825760.db2.gz JHHOZNGFYNRDBK-GUYCJALGSA-N -1 1 422.485 4.092 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C3CC3)ccn2)cc1 ZINC000461438012 874490564 /nfs/dbraw/zinc/49/05/64/874490564.db2.gz WJYJDWQUNPVIKR-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000461501829 874576621 /nfs/dbraw/zinc/57/66/21/874576621.db2.gz FLKMMHGVIGCOKP-VBKZILBWSA-N -1 1 420.481 4.170 20 0 HIADMM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2C1 ZINC000462378020 875489800 /nfs/dbraw/zinc/48/98/00/875489800.db2.gz OGBRXDLJLYSGFA-UHFFFAOYSA-N -1 1 415.342 4.146 20 0 HIADMM Cc1nc(-c2ccc(NCCCc3cccc(C(F)(F)F)c3)nc2)[n-]c(=O)c1C ZINC000462381905 875494739 /nfs/dbraw/zinc/49/47/39/875494739.db2.gz SOOGYMMGVSTWTJ-UHFFFAOYSA-N -1 1 402.420 4.925 20 0 HIADMM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC000462607200 875720196 /nfs/dbraw/zinc/72/01/96/875720196.db2.gz NULDCFHXFFQVJC-NSHDSACASA-N -1 1 423.840 4.113 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1Cl ZINC000463507630 876569650 /nfs/dbraw/zinc/56/96/50/876569650.db2.gz QQQXUKFLXDYQCZ-UHFFFAOYSA-N -1 1 410.948 4.099 20 0 HIADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000463916347 877036658 /nfs/dbraw/zinc/03/66/58/877036658.db2.gz SAMYAZDTMWDMEK-HZPDHXFCSA-N -1 1 404.532 4.051 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC4(C3)CCCCC4)c2)cc1F ZINC000503250078 912231556 /nfs/dbraw/zinc/23/15/56/912231556.db2.gz GKCAPDSVHUJAJV-UHFFFAOYSA-N -1 1 416.518 4.341 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CC(F)(F)F)cc2)cc1C ZINC000464268527 877452653 /nfs/dbraw/zinc/45/26/53/877452653.db2.gz QZLXSGIXBDOWHT-AWEZNQCLSA-N -1 1 414.449 4.175 20 0 HIADMM Cc1cccc([C@H]2CCCCN2C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1C ZINC000464589742 877814808 /nfs/dbraw/zinc/81/48/08/877814808.db2.gz WGRPWQNZMCISPB-JOCHJYFZSA-N -1 1 416.525 4.053 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000464697396 877912383 /nfs/dbraw/zinc/91/23/83/877912383.db2.gz APCLSEFGNYMVTB-KRWDZBQOSA-N -1 1 420.600 4.366 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000464698823 877914712 /nfs/dbraw/zinc/91/47/12/877914712.db2.gz GXTCURWEKHIQCL-MRXNPFEDSA-N -1 1 420.600 4.366 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1C[C@@H]2CCC[C@H]2C1 ZINC000465083499 878444787 /nfs/dbraw/zinc/44/47/87/878444787.db2.gz IKZIJDOJIPDYLX-GJZGRUSLSA-N -1 1 422.909 4.152 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2cccc(F)c2)C2CCCC2)c(=O)[n-]1 ZINC000465266067 878696034 /nfs/dbraw/zinc/69/60/34/878696034.db2.gz QQISSCSUZMSLLC-IBGZPJMESA-N -1 1 403.523 4.332 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000465293249 878731199 /nfs/dbraw/zinc/73/11/99/878731199.db2.gz FPXHJTJWFYAVKP-KBXCAEBGSA-N -1 1 406.935 4.401 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)C[C@H]3CC)c2)cc1 ZINC000465295440 878736644 /nfs/dbraw/zinc/73/66/44/878736644.db2.gz NEEYZEXPRWXTEB-QFBILLFUSA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000465297199 878739918 /nfs/dbraw/zinc/73/99/18/878739918.db2.gz SSNWPXWKPYPVEU-KBXCAEBGSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(NCC(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000465391503 878830058 /nfs/dbraw/zinc/83/00/58/878830058.db2.gz IIZBNDRMNMVIPF-UHFFFAOYSA-N -1 1 416.449 4.149 20 0 HIADMM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000465495882 878936926 /nfs/dbraw/zinc/93/69/26/878936926.db2.gz RBVIIMAXGQEXFF-UHFFFAOYSA-N -1 1 418.270 4.143 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(Cc3ccccc3)oc2c1)c1ccc2c(c1)CCO2 ZINC000466286429 880029882 /nfs/dbraw/zinc/02/98/82/880029882.db2.gz HLWJBVQNORENDA-UHFFFAOYSA-N -1 1 406.463 4.154 20 0 HIADMM O=C(N[C@H]1CCCc2sccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000466506423 880281689 /nfs/dbraw/zinc/28/16/89/880281689.db2.gz SUBGQWMEIZPADH-IBGZPJMESA-N -1 1 412.536 4.356 20 0 HIADMM C[C@@H]1CCC[C@H]1CNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466714877 880504840 /nfs/dbraw/zinc/50/48/40/880504840.db2.gz CQIJYBOCOSEIBB-MJGOQNOKSA-N -1 1 415.559 4.065 20 0 HIADMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(C)(C)C ZINC000466877548 880645698 /nfs/dbraw/zinc/64/56/98/880645698.db2.gz MYOSYRSBAOULQP-NSHDSACASA-N -1 1 419.168 4.095 20 0 HIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466969650 880770821 /nfs/dbraw/zinc/77/08/21/880770821.db2.gz RLHOAOFIIXZSKC-GFCCVEGCSA-N -1 1 419.396 4.061 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1csc(Cl)c1 ZINC000466993854 880805527 /nfs/dbraw/zinc/80/55/27/880805527.db2.gz SRYFCFUZPPIMLC-UHFFFAOYSA-N -1 1 420.943 4.475 20 0 HIADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000467015989 880819347 /nfs/dbraw/zinc/81/93/47/880819347.db2.gz URMHAASQRUDDCK-MRXNPFEDSA-N -1 1 407.507 4.474 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccoc1C1CC1 ZINC000467069387 880850439 /nfs/dbraw/zinc/85/04/39/880850439.db2.gz QKWOJAPWPVZSHX-UHFFFAOYSA-N -1 1 400.431 4.349 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3ccccc3OC)c2)ccc1C ZINC000467078115 880851966 /nfs/dbraw/zinc/85/19/66/880851966.db2.gz GBPNTHNESPYDFU-UHFFFAOYSA-N -1 1 411.479 4.258 20 0 HIADMM COc1ccccc1N1CC[C@@H](Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)C1=O ZINC000467201225 880931373 /nfs/dbraw/zinc/93/13/73/880931373.db2.gz LTNFPAUVBHFXHX-GOSISDBHSA-N -1 1 407.495 4.064 20 0 HIADMM Cc1nc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)sc1C ZINC000467203403 880932760 /nfs/dbraw/zinc/93/27/60/880932760.db2.gz XVJNALNVWNXPLG-CYBMUJFWSA-N -1 1 400.529 4.350 20 0 HIADMM Cc1nc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)sc1C ZINC000467203404 880932817 /nfs/dbraw/zinc/93/28/17/880932817.db2.gz XVJNALNVWNXPLG-ZDUSSCGKSA-N -1 1 400.529 4.350 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc4[nH]c(C5CCCCC5)nc4c3)ccc2[nH]1 ZINC000467425592 881214183 /nfs/dbraw/zinc/21/41/83/881214183.db2.gz PPTSCIODEMTBLZ-UHFFFAOYSA-N -1 1 422.510 4.253 20 0 HIADMM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000467430917 881226496 /nfs/dbraw/zinc/22/64/96/881226496.db2.gz YCCZRZFGHNZLBG-CQSZACIVSA-N -1 1 424.364 4.332 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)cc1Br ZINC000469986876 884202255 /nfs/dbraw/zinc/20/22/55/884202255.db2.gz HIUXWUTWGHGAGW-UHFFFAOYSA-N -1 1 411.277 4.098 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000470442582 884840299 /nfs/dbraw/zinc/84/02/99/884840299.db2.gz RQGAEVAANJYGPW-UHFFFAOYSA-N -1 1 403.813 4.463 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)cc1Cl ZINC000470448059 884845369 /nfs/dbraw/zinc/84/53/69/884845369.db2.gz JYPAQTGURHHYHL-UHFFFAOYSA-N -1 1 419.890 4.371 20 0 HIADMM C[C@@H](CCC1CC1)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000470575382 884991987 /nfs/dbraw/zinc/99/19/87/884991987.db2.gz WAUNEJIFSFCSPY-ZDUSSCGKSA-N -1 1 408.470 4.074 20 0 HIADMM CCc1nc(C2([N-]S(=O)(=O)c3oc4ccc(Cl)cc4c3C)CCCC2)no1 ZINC000470615014 885039855 /nfs/dbraw/zinc/03/98/55/885039855.db2.gz UEDHIPMNYKIBBG-UHFFFAOYSA-N -1 1 409.895 4.088 20 0 HIADMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cc2nccnc2cc1F ZINC000470718216 885160076 /nfs/dbraw/zinc/16/00/76/885160076.db2.gz ZPZJPGPGJCEXSJ-UHFFFAOYSA-N -1 1 409.490 4.341 20 0 HIADMM COc1cc(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000470733970 885188125 /nfs/dbraw/zinc/18/81/25/885188125.db2.gz VLULSGQVOAXNFP-UHFFFAOYSA-N -1 1 403.784 4.224 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC2(c3c(Cl)cccc3Cl)CC2)c(=O)[n-]1 ZINC000470748195 885213106 /nfs/dbraw/zinc/21/31/06/885213106.db2.gz VDEXOUPQBWAKMM-UHFFFAOYSA-N -1 1 412.342 4.257 20 0 HIADMM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C)C(F)(F)F ZINC000470791293 885270014 /nfs/dbraw/zinc/27/00/14/885270014.db2.gz ADUYJLFNWZREAF-KRWDZBQOSA-N -1 1 414.449 4.175 20 0 HIADMM CC1(C)CCC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000470857272 885351594 /nfs/dbraw/zinc/35/15/94/885351594.db2.gz DVMVGNKMOQNMJU-GOSISDBHSA-N -1 1 408.470 4.074 20 0 HIADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1 ZINC000471126207 885662747 /nfs/dbraw/zinc/66/27/47/885662747.db2.gz ZAJLKDIYZQRHLO-UHFFFAOYSA-N -1 1 417.508 4.073 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Cl)cn1 ZINC000471133082 885673143 /nfs/dbraw/zinc/67/31/43/885673143.db2.gz LHPIYBJHGPZGAO-AWEZNQCLSA-N -1 1 415.902 4.027 20 0 HIADMM CCC1(CC)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)C1 ZINC000504058205 912963962 /nfs/dbraw/zinc/96/39/62/912963962.db2.gz JPEOLZWOYCZPNU-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000504093467 913003833 /nfs/dbraw/zinc/00/38/33/913003833.db2.gz QXYZWWIEKVWVCD-UHFFFAOYSA-N -1 1 401.423 4.254 20 0 HIADMM CCC(=O)c1ccc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000471563550 886272873 /nfs/dbraw/zinc/27/28/73/886272873.db2.gz APQSZQGJGXGJIO-UHFFFAOYSA-N -1 1 422.506 4.010 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)ccc1F ZINC000471623906 886341015 /nfs/dbraw/zinc/34/10/15/886341015.db2.gz FHFFKTBPGYFFQF-UHFFFAOYSA-N -1 1 406.479 4.154 20 0 HIADMM Cc1nc2ccc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)cc2o1 ZINC000471742342 886465182 /nfs/dbraw/zinc/46/51/82/886465182.db2.gz SPFLKTJCKKJIEK-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM Cc1nc2cc(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)ccc2o1 ZINC000471745599 886472310 /nfs/dbraw/zinc/47/23/10/886472310.db2.gz AKAASSOOQGWAPX-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM CCOc1cc(C(=O)N2CCOC[C@H]2c2nc3ccccc3s2)cc(Cl)c1[O-] ZINC000504190715 913074640 /nfs/dbraw/zinc/07/46/40/913074640.db2.gz NTBGSPZPWYQLOT-HNNXBMFYSA-N -1 1 418.902 4.268 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Br)cc2C)ccc1Cl ZINC000471937992 886735913 /nfs/dbraw/zinc/73/59/13/886735913.db2.gz XHOXVCQCKGEIAU-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000471950671 886757711 /nfs/dbraw/zinc/75/77/11/886757711.db2.gz HEYXTRYSVSENCU-UHFFFAOYSA-N -1 1 400.269 4.022 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000472001683 886826498 /nfs/dbraw/zinc/82/64/98/886826498.db2.gz ZGICVXMTKQOUHM-UHFFFAOYSA-N -1 1 409.573 4.108 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000472008775 886832712 /nfs/dbraw/zinc/83/27/12/886832712.db2.gz KMZBAWITZRGBBV-UHFFFAOYSA-N -1 1 409.573 4.275 20 0 HIADMM CSc1cc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c(Cl)cc1Cl ZINC000472061992 886870534 /nfs/dbraw/zinc/87/05/34/886870534.db2.gz FSXRUFUXMCRQPO-UHFFFAOYSA-N -1 1 410.286 4.060 20 0 HIADMM Cc1sc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)nc1-c1ccccc1 ZINC000472293685 887115187 /nfs/dbraw/zinc/11/51/87/887115187.db2.gz BRQSFQWXHRJIJB-UHFFFAOYSA-N -1 1 412.458 4.057 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000472459870 887316308 /nfs/dbraw/zinc/31/63/08/887316308.db2.gz QVJVHMOXDUAMHE-UHFFFAOYSA-N -1 1 424.504 4.121 20 0 HIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c1OC ZINC000472790320 887636008 /nfs/dbraw/zinc/63/60/08/887636008.db2.gz KWVADZJVWDABIA-UHFFFAOYSA-N -1 1 405.476 4.239 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000473413335 888131410 /nfs/dbraw/zinc/13/14/10/888131410.db2.gz RAFIQCWKXSXPFN-UHFFFAOYSA-N -1 1 413.518 4.315 20 0 HIADMM COc1csc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000473469725 888193990 /nfs/dbraw/zinc/19/39/90/888193990.db2.gz JESOBFWBXKNVOY-UHFFFAOYSA-N -1 1 424.450 4.088 20 0 HIADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000473522378 888256969 /nfs/dbraw/zinc/25/69/69/888256969.db2.gz FYUMFLWUNFBHMX-ROUUACIJSA-N -1 1 408.523 4.409 20 0 HIADMM COc1csc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000473659556 888410861 /nfs/dbraw/zinc/41/08/61/888410861.db2.gz AGXDNHLJRORJRJ-UHFFFAOYSA-N -1 1 422.915 4.463 20 0 HIADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000473812637 888638555 /nfs/dbraw/zinc/63/85/55/888638555.db2.gz RKFUVQVNTPOUKI-SQNIBIBYSA-N -1 1 415.559 4.063 20 0 HIADMM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000473851681 888700516 /nfs/dbraw/zinc/70/05/16/888700516.db2.gz GVMIUEVKBRGYEM-UHFFFAOYSA-N -1 1 422.280 4.256 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1noc(-c2ccccc2)n1 ZINC000473866183 888722130 /nfs/dbraw/zinc/72/21/30/888722130.db2.gz ZIUZAEGNKNLTHH-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(F)c1Cl ZINC000473866176 888722245 /nfs/dbraw/zinc/72/22/45/888722245.db2.gz ZHPDUDQIVWEWGV-UHFFFAOYSA-N -1 1 418.302 4.130 20 0 HIADMM O=S(=O)([N-]c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1Br ZINC000504495841 913285393 /nfs/dbraw/zinc/28/53/93/913285393.db2.gz HVHZJMDPESYQFM-UHFFFAOYSA-N -1 1 420.210 4.145 20 0 HIADMM CC[C@H](C)[C@H](OC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000474077723 888904490 /nfs/dbraw/zinc/90/44/90/888904490.db2.gz FTTZECKVJWZHCF-UGSOOPFHSA-N -1 1 410.923 4.140 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCC3)cc1)c1ccc(Cl)c2ccccc21 ZINC000504508342 913298687 /nfs/dbraw/zinc/29/86/87/913298687.db2.gz TUDSDKSMPDTEHG-UHFFFAOYSA-N -1 1 424.913 4.499 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Br)cc2[nH]1 ZINC000504519062 913304239 /nfs/dbraw/zinc/30/42/39/913304239.db2.gz RGAJGAKJWMOQHL-UHFFFAOYSA-N -1 1 418.675 4.227 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000474338118 889211504 /nfs/dbraw/zinc/21/15/04/889211504.db2.gz SFJWJJQVRKDMBM-ZENHMJIWSA-N -1 1 417.534 4.240 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000474349338 889225841 /nfs/dbraw/zinc/22/58/41/889225841.db2.gz WTNRCFZLGRJDFQ-UHFFFAOYSA-N -1 1 410.449 4.045 20 0 HIADMM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000474418582 889282625 /nfs/dbraw/zinc/28/26/25/889282625.db2.gz XTEGYFLFPFZAOP-UHFFFAOYSA-N -1 1 411.936 4.281 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(OCc2cccc(C)c2)cc1 ZINC000474498026 889358036 /nfs/dbraw/zinc/35/80/36/889358036.db2.gz NTRZYRBZXUQHSO-UHFFFAOYSA-N -1 1 409.511 4.030 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000474649077 889511980 /nfs/dbraw/zinc/51/19/80/889511980.db2.gz QTQQLTOWQSFJSQ-UHFFFAOYSA-N -1 1 410.499 4.354 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCSC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000474663791 889527676 /nfs/dbraw/zinc/52/76/76/889527676.db2.gz YHLPSLZNFCSZCZ-CYBMUJFWSA-N -1 1 410.948 4.141 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474876178 889729953 /nfs/dbraw/zinc/72/99/53/889729953.db2.gz CXRAFYRJVQOQDK-ZBFHGGJFSA-N -1 1 424.932 4.399 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474876177 889730616 /nfs/dbraw/zinc/73/06/16/889730616.db2.gz CXRAFYRJVQOQDK-HOCLYGCPSA-N -1 1 424.932 4.399 20 0 HIADMM COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000474999274 889850871 /nfs/dbraw/zinc/85/08/71/889850871.db2.gz YPBZMQGJMVHBNJ-CYBMUJFWSA-N -1 1 409.511 4.379 20 0 HIADMM COc1ccc(-c2ccc(CNC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cc2)cc1 ZINC000475007734 889860683 /nfs/dbraw/zinc/86/06/83/889860683.db2.gz MAODIBCBIHLGKL-UHFFFAOYSA-N -1 1 405.498 4.394 20 0 HIADMM CC(C)CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)cc1 ZINC000475071579 889918350 /nfs/dbraw/zinc/91/83/50/889918350.db2.gz XXCXGTDEUKYPHF-UHFFFAOYSA-N -1 1 412.939 4.313 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(C4CCOCC4)no3)c2)c1 ZINC000504659221 913401457 /nfs/dbraw/zinc/40/14/57/913401457.db2.gz DPWRJNXRIKGTOX-UHFFFAOYSA-N -1 1 413.499 4.048 20 0 HIADMM C[C@H](Sc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000504658327 913399202 /nfs/dbraw/zinc/39/92/02/913399202.db2.gz RXACWOAYKLOCRD-JTQLQIEISA-N -1 1 405.419 4.071 20 0 HIADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000475651879 890595776 /nfs/dbraw/zinc/59/57/76/890595776.db2.gz DWGIUNDIAFMUMS-RBUKOAKNSA-N -1 1 418.584 4.234 20 0 HIADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000475651878 890596331 /nfs/dbraw/zinc/59/63/31/890596331.db2.gz DWGIUNDIAFMUMS-OALUTQOASA-N -1 1 418.584 4.234 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccc2cc[nH]c21 ZINC000475725790 890663234 /nfs/dbraw/zinc/66/32/34/890663234.db2.gz FBQKWEZSLISTOH-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)ccc2s1 ZINC000475785227 890726841 /nfs/dbraw/zinc/72/68/41/890726841.db2.gz CLISVRUNNFXBHQ-UHFFFAOYSA-N -1 1 403.481 4.081 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c(Br)c1 ZINC000475787951 890728370 /nfs/dbraw/zinc/72/83/70/890728370.db2.gz PINRHRZOWMRAIN-UHFFFAOYSA-N -1 1 422.247 4.168 20 0 HIADMM Cc1cccc(C)c1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475795157 890733321 /nfs/dbraw/zinc/73/33/21/890733321.db2.gz WTVVHLMGJXBVOQ-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c(Br)c1 ZINC000475808564 890742607 /nfs/dbraw/zinc/74/26/07/890742607.db2.gz LKJYWRAHLVRFJP-UHFFFAOYSA-N -1 1 412.305 4.047 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2-c2nnc(C)o2)cc1C(C)C ZINC000475830019 890764125 /nfs/dbraw/zinc/76/41/25/890764125.db2.gz MSEHKEMCGRNOAC-UHFFFAOYSA-N -1 1 419.478 4.425 20 0 HIADMM Cc1ccc(NC(=O)c2n[nH]c3c2CCCCC3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000476064451 890993365 /nfs/dbraw/zinc/99/33/65/890993365.db2.gz XONHTPGZQWYAGZ-UHFFFAOYSA-N -1 1 424.526 4.040 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](c4ccccc4)C3)c2)c1 ZINC000476176076 891106923 /nfs/dbraw/zinc/10/69/23/891106923.db2.gz ZSRZUAFCWGBYES-NRFANRHFSA-N -1 1 420.534 4.426 20 0 HIADMM Cc1nc(S(=O)(=O)[N-]Cc2nc(-c3cc4ccccc4o3)cs2)sc1C ZINC000476220292 891147694 /nfs/dbraw/zinc/14/76/94/891147694.db2.gz PZLNKCJBMUEVPF-UHFFFAOYSA-N -1 1 405.526 4.108 20 0 HIADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000476277058 891197551 /nfs/dbraw/zinc/19/75/51/891197551.db2.gz NZZLHVDKBXTVRS-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)cn2)n1 ZINC000476386990 891301752 /nfs/dbraw/zinc/30/17/52/891301752.db2.gz FCZDAPHEDCUBOH-UHFFFAOYSA-N -1 1 410.421 4.012 20 0 HIADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c1 ZINC000476388296 891303066 /nfs/dbraw/zinc/30/30/66/891303066.db2.gz UIEIKMCTOPICBS-UHFFFAOYSA-N -1 1 410.495 4.261 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(F)c1)c1cccc2ncccc21 ZINC000476412209 891325560 /nfs/dbraw/zinc/32/55/60/891325560.db2.gz ZIOUDWNPAJEDEQ-UHFFFAOYSA-N -1 1 409.442 4.149 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)ccc1Br ZINC000476423486 891335822 /nfs/dbraw/zinc/33/58/22/891335822.db2.gz BIKFPAPWXJLOIG-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1 ZINC000476425140 891337541 /nfs/dbraw/zinc/33/75/41/891337541.db2.gz SLQHQCABLYTYBT-AWEZNQCLSA-N -1 1 404.507 4.115 20 0 HIADMM COCc1noc(-c2cccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)n1 ZINC000504833871 913555942 /nfs/dbraw/zinc/55/59/42/913555942.db2.gz QBFGRQVZEJZYMP-UHFFFAOYSA-N -1 1 415.515 4.290 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c2ccccc12 ZINC000476593632 891526879 /nfs/dbraw/zinc/52/68/79/891526879.db2.gz HQRVFEYNILDWRE-UHFFFAOYSA-N -1 1 406.410 4.200 20 0 HIADMM COCc1noc(-c2cccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)c2)n1 ZINC000504866587 913594394 /nfs/dbraw/zinc/59/43/94/913594394.db2.gz BEECUIVLOSMCEB-UHFFFAOYSA-N -1 1 421.478 4.351 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Br)cc2cccnc21 ZINC000477090945 892023995 /nfs/dbraw/zinc/02/39/95/892023995.db2.gz AGTCERZBPHUEQO-UHFFFAOYSA-N -1 1 409.243 4.345 20 0 HIADMM CCN(Cc1ccc2ccccc2c1)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000477152129 892076404 /nfs/dbraw/zinc/07/64/04/892076404.db2.gz RSSXSJKISJPJOY-UHFFFAOYSA-N -1 1 412.493 4.297 20 0 HIADMM O=S(=O)([N-]c1cc(Br)ccc1N1CCCC1)c1ccc(F)c(F)c1 ZINC000477371194 892333356 /nfs/dbraw/zinc/33/33/56/892333356.db2.gz DOJZJLPZTPBKLZ-UHFFFAOYSA-N -1 1 417.275 4.128 20 0 HIADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)c1 ZINC000477456154 892414906 /nfs/dbraw/zinc/41/49/06/892414906.db2.gz WHXZZRFILOHAHC-UHFFFAOYSA-N -1 1 414.483 4.163 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(Cc3ccco3)C(C)C)c2)cc1 ZINC000477771379 892857625 /nfs/dbraw/zinc/85/76/25/892857625.db2.gz PAQZEVRSGHXKJD-UHFFFAOYSA-N -1 1 412.511 4.440 20 0 HIADMM COc1ccc(N(CCC(C)C)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000477895857 892962501 /nfs/dbraw/zinc/96/25/01/892962501.db2.gz OAVTUUXXJGHWNT-UHFFFAOYSA-N -1 1 420.513 4.183 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C4CCCC4)C3)cc2)ccc1F ZINC000477899991 892969446 /nfs/dbraw/zinc/96/94/46/892969446.db2.gz VOMREPOCRYJGGH-UHFFFAOYSA-N -1 1 416.518 4.197 20 0 HIADMM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc(Br)c([O-])c1 ZINC000477973232 893066673 /nfs/dbraw/zinc/06/66/73/893066673.db2.gz GCYBSCVCTPFVNI-PSASIEDQSA-N -1 1 417.122 4.265 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000504984907 913729836 /nfs/dbraw/zinc/72/98/36/913729836.db2.gz JVBRCJBJCLPKIZ-UHFFFAOYSA-N -1 1 415.536 4.437 20 0 HIADMM CN(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCC(C)(C)C1 ZINC000478191387 893353448 /nfs/dbraw/zinc/35/34/48/893353448.db2.gz HUDUKCMLIKNDAF-LJQANCHMSA-N -1 1 418.534 4.206 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000478214844 893375309 /nfs/dbraw/zinc/37/53/09/893375309.db2.gz VTENERRQSQABBV-LJQANCHMSA-N -1 1 424.497 4.256 20 0 HIADMM COC1(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCC1 ZINC000478220182 893380610 /nfs/dbraw/zinc/38/06/10/893380610.db2.gz ABQUNMSJADGFGX-UHFFFAOYSA-N -1 1 408.907 4.039 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1Cc2ccccc2S1 ZINC000478459146 893779510 /nfs/dbraw/zinc/77/95/10/893779510.db2.gz NQPMDRBYEUCGAU-HXUWFJFHSA-N -1 1 410.520 4.143 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@H]1Cc1ccccc1 ZINC000478565783 893851695 /nfs/dbraw/zinc/85/16/95/893851695.db2.gz XZXVRWZMYJRYIH-NRFANRHFSA-N -1 1 424.497 4.084 20 0 HIADMM C[C@H](CN(C)C(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1nn[n-]n1 ZINC000478581706 893858584 /nfs/dbraw/zinc/85/85/84/893858584.db2.gz GCYLZBDLYXDRCP-PXAZEXFGSA-N -1 1 419.913 4.088 20 0 HIADMM C[C@H](CN(C)C(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1nn[n-]n1 ZINC000478581715 893858614 /nfs/dbraw/zinc/85/86/14/893858614.db2.gz GCYLZBDLYXDRCP-SJKOYZFVSA-N -1 1 419.913 4.088 20 0 HIADMM Cc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(Sc2ccc(Cl)cc2)c1 ZINC000478583705 893860804 /nfs/dbraw/zinc/86/08/04/893860804.db2.gz SQPQOHKQYVNGSQ-ZDUSSCGKSA-N -1 1 401.923 4.188 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC3CC3)C3CCC3)cc2)ccc1F ZINC000478620819 893879673 /nfs/dbraw/zinc/87/96/73/893879673.db2.gz JQRQNAKASCYEAB-UHFFFAOYSA-N -1 1 416.518 4.340 20 0 HIADMM O=S(=O)([N-]c1ccc(Cn2cnc3ccccc32)cc1)c1ccc2ncsc2c1 ZINC000479065046 894327412 /nfs/dbraw/zinc/32/74/12/894327412.db2.gz ICEVJNUPVMMSIR-UHFFFAOYSA-N -1 1 420.519 4.495 20 0 HIADMM CSCCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000479073226 894337466 /nfs/dbraw/zinc/33/74/66/894337466.db2.gz UHYMPEBLBDXNOK-UHFFFAOYSA-N -1 1 420.600 4.367 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CC(F)F)cc2)c(C)c1C ZINC000505193966 913875805 /nfs/dbraw/zinc/87/58/05/913875805.db2.gz UXUODWQGMJQGPD-UHFFFAOYSA-N -1 1 424.513 4.367 20 0 HIADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000479268347 894540714 /nfs/dbraw/zinc/54/07/14/894540714.db2.gz DMGZPEKRDCDRJT-UHFFFAOYSA-N -1 1 414.892 4.001 20 0 HIADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000479392376 894696001 /nfs/dbraw/zinc/69/60/01/894696001.db2.gz LNFCTEOBRDKABT-DJJJIMSYSA-N -1 1 408.470 4.026 20 0 HIADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000479427553 894739220 /nfs/dbraw/zinc/73/92/20/894739220.db2.gz SQNBMFXVLUWCJP-IERDGZPVSA-N -1 1 400.544 4.365 20 0 HIADMM O=C([O-])CCCc1ccc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000479509286 894822983 /nfs/dbraw/zinc/82/29/83/894822983.db2.gz BLMPSFQVVZXEFZ-UHFFFAOYSA-N -1 1 423.490 4.126 20 0 HIADMM O=S(=O)([N-]c1ccnc(Sc2ccccn2)c1)c1ccc2ncsc2c1 ZINC000479524092 894834015 /nfs/dbraw/zinc/83/40/15/894834015.db2.gz RISMSRKKGQHWEK-UHFFFAOYSA-N -1 1 400.510 4.038 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(C(F)(F)F)c3)ccc2N1 ZINC000479552978 894851125 /nfs/dbraw/zinc/85/11/25/894851125.db2.gz HXUCFGWFVXRHGV-UHFFFAOYSA-N -1 1 418.824 4.434 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3cccc4ccccc43)ccc2N1CC1CC1 ZINC000479564191 894860807 /nfs/dbraw/zinc/86/08/07/894860807.db2.gz FBPBBBJTGZTBJB-UHFFFAOYSA-N -1 1 406.507 4.330 20 0 HIADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1ccc(OCC2CCCCC2)cc1 ZINC000505271545 913927805 /nfs/dbraw/zinc/92/78/05/913927805.db2.gz DGACABAUZVLIMY-UHFFFAOYSA-N -1 1 412.515 4.027 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(C)(C)C)c2O)c1 ZINC000480056753 895404898 /nfs/dbraw/zinc/40/48/98/895404898.db2.gz AVMPTKFUSOOETL-UHFFFAOYSA-N -1 1 409.442 4.196 20 0 HIADMM Cc1oc(C(C)C)nc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000505309049 913971900 /nfs/dbraw/zinc/97/19/00/913971900.db2.gz XQHWBNRJVKSSGA-UHFFFAOYSA-N -1 1 417.462 4.299 20 0 HIADMM CCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2OC)cc1C(=O)[O-] ZINC000480195714 895592555 /nfs/dbraw/zinc/59/25/55/895592555.db2.gz VLWYOTXVTYMYDO-UHFFFAOYSA-N -1 1 404.271 4.063 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c(=O)[n-]1 ZINC000480196326 895593578 /nfs/dbraw/zinc/59/35/78/895593578.db2.gz IPRWCYDMQVJWMJ-GFCCVEGCSA-N -1 1 420.604 4.391 20 0 HIADMM CC[C@@H](C)CN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000480204711 895604966 /nfs/dbraw/zinc/60/49/66/895604966.db2.gz UAUHCCSNHNSFNK-MRXNPFEDSA-N -1 1 404.532 4.004 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1Br ZINC000480210967 895614355 /nfs/dbraw/zinc/61/43/55/895614355.db2.gz ALDGRYCXVSADJS-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM CCS[C@@H]1CCCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000480397933 895802443 /nfs/dbraw/zinc/80/24/43/895802443.db2.gz RJZXFDDMOFONOK-LJQANCHMSA-N -1 1 418.584 4.235 20 0 HIADMM COc1ccc(C(C)(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000480413329 895812586 /nfs/dbraw/zinc/81/25/86/895812586.db2.gz FUTBWODIFQEITM-UHFFFAOYSA-N -1 1 424.522 4.412 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(C)(C)[C@H]3C(C)C)cc2)cc1 ZINC000480466550 895849545 /nfs/dbraw/zinc/84/95/45/895849545.db2.gz YZWWYGWRMACXNP-HXUWFJFHSA-N -1 1 416.543 4.003 20 0 HIADMM CC(C)n1cc2c(n1)C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)CC2 ZINC000480825091 896198941 /nfs/dbraw/zinc/19/89/41/896198941.db2.gz FDJVVVXNXCHTSK-GFCCVEGCSA-N -1 1 422.765 4.260 20 0 HIADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000481002223 896333693 /nfs/dbraw/zinc/33/36/93/896333693.db2.gz IAAUBQHOJNWBLV-RBUKOAKNSA-N -1 1 422.547 4.031 20 0 HIADMM Cc1cc2n[nH]cc2cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000481320087 896673478 /nfs/dbraw/zinc/67/34/78/896673478.db2.gz VCXNPOOFKCIZGT-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H]3C(F)F)c2)cc1 ZINC000505436357 914100635 /nfs/dbraw/zinc/10/06/35/914100635.db2.gz IUHMFBXXQYFAHI-GOSISDBHSA-N -1 1 408.470 4.056 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1-c1ncco1 ZINC000481589914 896969915 /nfs/dbraw/zinc/96/99/15/896969915.db2.gz CPAKDGIAXFCIGX-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(-c4ccccc4)n[nH]3)s2)cs1 ZINC000481594683 896973573 /nfs/dbraw/zinc/97/35/73/896973573.db2.gz FMOCMMVFNFACDR-UHFFFAOYSA-N -1 1 402.526 4.371 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1-c1ncco1 ZINC000481609090 896989415 /nfs/dbraw/zinc/98/94/15/896989415.db2.gz NHVRCVAATXLWPH-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM COc1ccc(-c2ccc([N-]S(=O)(=O)Cc3cccc(F)c3)nc2)cc1Cl ZINC000481848837 897215919 /nfs/dbraw/zinc/21/59/19/897215919.db2.gz PKWFVGNDZIDHMU-UHFFFAOYSA-N -1 1 406.866 4.492 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)c(Br)c1 ZINC000481871105 897242412 /nfs/dbraw/zinc/24/24/12/897242412.db2.gz ZEBMCOPQXHAQEX-UHFFFAOYSA-N -1 1 416.259 4.001 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)nc1)c1ccccc1 ZINC000481880833 897252962 /nfs/dbraw/zinc/25/29/62/897252962.db2.gz FHSZCMWMJUJZSP-UHFFFAOYSA-N -1 1 419.865 4.068 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1Cl ZINC000481968526 897359515 /nfs/dbraw/zinc/35/95/15/897359515.db2.gz AGIXABPACLXIDM-UHFFFAOYSA-N -1 1 408.907 4.421 20 0 HIADMM CC[C@@H](CN(CC)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000482239624 897722312 /nfs/dbraw/zinc/72/23/12/897722312.db2.gz BPMOJSWOONDDBV-SFHVURJKSA-N -1 1 404.514 4.137 20 0 HIADMM CCN(CC1CCC1)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000482272351 897759740 /nfs/dbraw/zinc/75/97/40/897759740.db2.gz NFNSIHDZPXZQDR-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM COc1cccc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1OC(F)F ZINC000482610317 898211382 /nfs/dbraw/zinc/21/13/82/898211382.db2.gz VMJHLTHCROCDIG-UHFFFAOYSA-N -1 1 402.191 4.325 20 0 HIADMM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482635345 898239535 /nfs/dbraw/zinc/23/95/35/898239535.db2.gz GYBFQZPYBBVXQQ-UHFFFAOYSA-N -1 1 414.303 4.447 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(OC3CCOCC3)cc2)c1 ZINC000482709795 898309929 /nfs/dbraw/zinc/30/99/29/898309929.db2.gz PSYAYKKNFRHRIM-UHFFFAOYSA-N -1 1 406.276 4.273 20 0 HIADMM C[C@H]1CCSCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000482940160 898562937 /nfs/dbraw/zinc/56/29/37/898562937.db2.gz CGLILWIBLAAYIV-AWEZNQCLSA-N -1 1 424.975 4.108 20 0 HIADMM C[C@@H]1CCSCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000482940162 898563790 /nfs/dbraw/zinc/56/37/90/898563790.db2.gz CGLILWIBLAAYIV-CQSZACIVSA-N -1 1 424.975 4.108 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1OC ZINC000483165652 898835022 /nfs/dbraw/zinc/83/50/22/898835022.db2.gz SWYPUKZYZQNLRQ-UHFFFAOYSA-N -1 1 400.456 4.000 20 0 HIADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000483704568 899360157 /nfs/dbraw/zinc/36/01/57/899360157.db2.gz WRZQTBDNZRAORK-LIRRHRJNSA-N -1 1 404.507 4.196 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc(F)ccc1Cl ZINC000484118284 899740974 /nfs/dbraw/zinc/74/09/74/899740974.db2.gz RZOQXFXDXODBIN-UHFFFAOYSA-N -1 1 402.838 4.218 20 0 HIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000484173097 899792544 /nfs/dbraw/zinc/79/25/44/899792544.db2.gz MLOAJIOHTCUNLU-UHFFFAOYSA-N -1 1 415.478 4.282 20 0 HIADMM COC(=O)c1c[n-]c(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)n1 ZINC000484552899 900030818 /nfs/dbraw/zinc/03/08/18/900030818.db2.gz AKWMJJJYEMITMA-QMMMGPOBSA-N -1 1 402.457 4.020 20 0 HIADMM COC(=O)c1c[n-]c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)n1 ZINC000484583939 900048684 /nfs/dbraw/zinc/04/86/84/900048684.db2.gz NDLDUMSPGJDPIT-UHFFFAOYSA-N -1 1 416.528 4.247 20 0 HIADMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)[n-]1 ZINC000484589840 900053287 /nfs/dbraw/zinc/05/32/87/900053287.db2.gz ZXZGGDQTLPJLRN-ZDUSSCGKSA-N -1 1 413.524 4.467 20 0 HIADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1 ZINC000484589840 900053294 /nfs/dbraw/zinc/05/32/94/900053294.db2.gz ZXZGGDQTLPJLRN-ZDUSSCGKSA-N -1 1 413.524 4.467 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1(c2ccccc2)CCCCC1 ZINC000505736201 914414926 /nfs/dbraw/zinc/41/49/26/914414926.db2.gz NBUVCRHGNCNWMN-UHFFFAOYSA-N -1 1 416.525 4.461 20 0 HIADMM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000484974147 900332917 /nfs/dbraw/zinc/33/29/17/900332917.db2.gz OBCPLTBFZNSRGN-LLVKDONJSA-N -1 1 422.432 4.439 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3-c3ccc(F)cc3)cc2o1 ZINC000485003257 900354905 /nfs/dbraw/zinc/35/49/05/900354905.db2.gz CZZNYFZJOUBTSC-UHFFFAOYSA-N -1 1 402.378 4.279 20 0 HIADMM COc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1OC1CCCC1 ZINC000485024243 900369678 /nfs/dbraw/zinc/36/96/78/900369678.db2.gz LUPAQJHVJWUKGV-UHFFFAOYSA-N -1 1 420.303 4.415 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccncc1C(F)(F)F ZINC000505785554 914452435 /nfs/dbraw/zinc/45/24/35/914452435.db2.gz VGOQGGACFRHWPJ-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM O=C1CCC(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)=NN1 ZINC000485259643 900543434 /nfs/dbraw/zinc/54/34/34/900543434.db2.gz JQDPZKUGEPGURT-UHFFFAOYSA-N -1 1 411.527 4.149 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000485392767 900689162 /nfs/dbraw/zinc/68/91/62/900689162.db2.gz IDFQAYPLGGTNHT-UHFFFAOYSA-N -1 1 415.368 4.312 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1F ZINC000485409430 900708277 /nfs/dbraw/zinc/70/82/77/900708277.db2.gz FUUXLFVHYGYSFR-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CC(C)(C)C[C@H](O)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000485409384 900708318 /nfs/dbraw/zinc/70/83/18/900708318.db2.gz FORNNCVDIVFWLM-QGZVFWFLSA-N -1 1 424.950 4.267 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)c1cccc(OC(F)(F)F)c1 ZINC000485541588 900817421 /nfs/dbraw/zinc/81/74/21/900817421.db2.gz ZABSZUBKOCAPQF-UHFFFAOYSA-N -1 1 416.421 4.014 20 0 HIADMM COCCN(Cc1cccs1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485684924 900935620 /nfs/dbraw/zinc/93/56/20/900935620.db2.gz OHMXDFZYMRWAAW-UHFFFAOYSA-N -1 1 421.316 4.053 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1ccccc1-c1ccccc1 ZINC000485801626 901051919 /nfs/dbraw/zinc/05/19/19/901051919.db2.gz PTDFUWHZSSWXKY-UHFFFAOYSA-N -1 1 417.494 4.143 20 0 HIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C ZINC000485875531 901112729 /nfs/dbraw/zinc/11/27/29/901112729.db2.gz QONYQKJFUBCXNG-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM CCc1cccc2c(CC[N-]S(=O)(=O)c3sccc3Br)c[nH]c21 ZINC000485886673 901120948 /nfs/dbraw/zinc/12/09/48/901120948.db2.gz CIICNAMCAGWUED-UHFFFAOYSA-N -1 1 413.362 4.075 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)C1(CCF)CC1 ZINC000485973521 901191565 /nfs/dbraw/zinc/19/15/65/901191565.db2.gz DXEGVJSVXJTNCL-UHFFFAOYSA-N -1 1 414.861 4.358 20 0 HIADMM CCCN(CCc1ccccn1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485997864 901214223 /nfs/dbraw/zinc/21/42/23/901214223.db2.gz DGLOLNHPZSLGJN-UHFFFAOYSA-N -1 1 414.303 4.193 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCc3ccccc3)cc2)cc1 ZINC000486176377 901362452 /nfs/dbraw/zinc/36/24/52/901362452.db2.gz GDCQFTGTJUSPLW-UHFFFAOYSA-N -1 1 408.523 4.111 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c(F)c1 ZINC000486713199 901809169 /nfs/dbraw/zinc/80/91/69/901809169.db2.gz VTRQRIZRFPLIIW-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000486775359 901846152 /nfs/dbraw/zinc/84/61/52/901846152.db2.gz GOVDOKDYBXWDIG-DZGCQCFKSA-N -1 1 407.333 4.203 20 0 HIADMM COc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)ccc1[N-]S(C)(=O)=O ZINC000486797651 901860706 /nfs/dbraw/zinc/86/07/06/901860706.db2.gz WRLQNEBESNONDB-GOSISDBHSA-N -1 1 410.923 4.098 20 0 HIADMM COc1ccc(I)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000486931474 901974178 /nfs/dbraw/zinc/97/41/78/901974178.db2.gz SZQLXMFOOSLKOF-UHFFFAOYSA-N -1 1 418.618 4.303 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)c1 ZINC000487242604 902114413 /nfs/dbraw/zinc/11/44/13/902114413.db2.gz UCQYQTALIADBST-INIZCTEOSA-N -1 1 418.291 4.098 20 0 HIADMM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000487782180 902362494 /nfs/dbraw/zinc/36/24/94/902362494.db2.gz LDCMSTPVCLTHIL-JOCHJYFZSA-N -1 1 404.514 4.259 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000488275639 902740470 /nfs/dbraw/zinc/74/04/70/902740470.db2.gz ATLAJUOPEXGNLW-UHFFFAOYSA-N -1 1 401.532 4.458 20 0 HIADMM CCc1cccnc1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000505988916 914655518 /nfs/dbraw/zinc/65/55/18/914655518.db2.gz AOBPBJLPCTUVEW-UHFFFAOYSA-N -1 1 409.511 4.314 20 0 HIADMM CCc1cccnc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000505990504 914657641 /nfs/dbraw/zinc/65/76/41/914657641.db2.gz OFGJSPCFKBTYRA-UHFFFAOYSA-N -1 1 409.511 4.314 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCC(F)(F)C3)cc2)c1 ZINC000488967940 903099314 /nfs/dbraw/zinc/09/93/14/903099314.db2.gz CBRPVENMYXXLCB-GOSISDBHSA-N -1 1 422.497 4.412 20 0 HIADMM CSC[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000489292868 903314457 /nfs/dbraw/zinc/31/44/57/903314457.db2.gz JUOFMBPXOFZGSW-GOSISDBHSA-N -1 1 418.584 4.072 20 0 HIADMM CSC[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000489328429 903332509 /nfs/dbraw/zinc/33/25/09/903332509.db2.gz NEQVATMMLCBTCD-IBGZPJMESA-N -1 1 418.584 4.072 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)ccc1Br ZINC000489614765 903498210 /nfs/dbraw/zinc/49/82/10/903498210.db2.gz ZNAKYOMNDDAGIZ-UHFFFAOYSA-N -1 1 424.320 4.189 20 0 HIADMM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cccc1OCC(F)(F)F ZINC000489697821 903544716 /nfs/dbraw/zinc/54/47/16/903544716.db2.gz JCFHZXSKSSHVKD-UHFFFAOYSA-N -1 1 423.796 4.089 20 0 HIADMM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1c(Cl)cc(F)cc1Cl ZINC000490043708 903740452 /nfs/dbraw/zinc/74/04/52/903740452.db2.gz PZKLMINFJJLNHI-UHFFFAOYSA-N -1 1 401.246 4.266 20 0 HIADMM CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000490192144 903818805 /nfs/dbraw/zinc/81/88/05/903818805.db2.gz BMHYMDMXVMGQJO-UHFFFAOYSA-N -1 1 422.938 4.176 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([C@H]4C[C@@H]4C)[nH]n3)cc2)c1 ZINC000490268686 903865460 /nfs/dbraw/zinc/86/54/60/903865460.db2.gz CLSSXTGABRBTNQ-YJBOKZPZSA-N -1 1 424.526 4.203 20 0 HIADMM CCOc1cc(C(=O)N2CCC(Cc3ccccc3CO)CC2)cc(Cl)c1[O-] ZINC000490412402 903993689 /nfs/dbraw/zinc/99/36/89/903993689.db2.gz NYVROMAURQPWQF-UHFFFAOYSA-N -1 1 403.906 4.032 20 0 HIADMM CCOc1cccc(CNC(=O)c2ccc(Br)c([O-])c2)c1OC(F)F ZINC000490434694 904007291 /nfs/dbraw/zinc/00/72/91/904007291.db2.gz YCGXDJQYIOENOB-UHFFFAOYSA-N -1 1 416.218 4.085 20 0 HIADMM CCC1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CC1 ZINC000490588472 904120063 /nfs/dbraw/zinc/12/00/63/904120063.db2.gz QVDLGXMENFHBOQ-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM O=C(Cc1ccc(F)cc1Cl)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000490592788 904123196 /nfs/dbraw/zinc/12/31/96/904123196.db2.gz LGJIWVQLRUGDHY-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3O)ccc2C)cc1 ZINC000490683268 904171398 /nfs/dbraw/zinc/17/13/98/904171398.db2.gz GPONYEXTJOOQFR-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM O=C(Cc1c(F)ccc(Br)c1F)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000506107007 914806248 /nfs/dbraw/zinc/80/62/48/914806248.db2.gz PGESNACGGKPQNI-UHFFFAOYSA-N -1 1 408.202 4.004 20 0 HIADMM CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000491061071 904405285 /nfs/dbraw/zinc/40/52/85/904405285.db2.gz MEPFIPFQKITUOF-UHFFFAOYSA-N -1 1 406.276 4.040 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(F)c(Cl)c3)cc2C[C@H]1C ZINC000491716864 904686474 /nfs/dbraw/zinc/68/64/74/904686474.db2.gz FNKDEVOPEYZUIG-SECBINFHSA-N -1 1 417.289 4.231 20 0 HIADMM CC(C)CC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000492292273 904830076 /nfs/dbraw/zinc/83/00/76/904830076.db2.gz XPEIIYFMYLAKCX-CQSZACIVSA-N -1 1 410.486 4.320 20 0 HIADMM O=C(N[C@H]1CCCc2occc21)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000493302710 905080408 /nfs/dbraw/zinc/08/04/08/905080408.db2.gz IGPRACABQVWECY-IBGZPJMESA-N -1 1 414.458 4.027 20 0 HIADMM Cc1cc(C[C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)n(-c2ccccc2)n1 ZINC000494081869 905417555 /nfs/dbraw/zinc/41/75/55/905417555.db2.gz OAAFJOAYVMYJTO-CYBMUJFWSA-N -1 1 414.303 4.010 20 0 HIADMM COc1cc(NC(=O)N2CCC[C@H]2CCC2CCCC2)ccc1[N-]S(C)(=O)=O ZINC000494186512 905520415 /nfs/dbraw/zinc/52/04/15/905520415.db2.gz SQDLAHDGRIDULM-KRWDZBQOSA-N -1 1 409.552 4.033 20 0 HIADMM Cc1cc(C(=O)Nc2ccccc2Nc2ccc(F)cc2F)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000494317177 905632327 /nfs/dbraw/zinc/63/23/27/905632327.db2.gz LUNADTPHCCBGRV-UHFFFAOYSA-N -1 1 423.379 4.019 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCCC[C@H]2C)c1 ZINC000512448437 921169008 /nfs/dbraw/zinc/16/90/08/921169008.db2.gz SWFBPGXXZQIMOP-MRXNPFEDSA-N -1 1 404.507 4.340 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c(C(F)(F)F)c1 ZINC000494508480 905800474 /nfs/dbraw/zinc/80/04/74/905800474.db2.gz BTRFWANTYRZWSE-UHFFFAOYSA-N -1 1 424.803 4.398 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1 ZINC000494586935 905852285 /nfs/dbraw/zinc/85/22/85/905852285.db2.gz QAFCRWJAIRZWHP-UHFFFAOYSA-N -1 1 401.513 4.268 20 0 HIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccc(OCC(F)(F)F)cc1 ZINC000494629805 905872795 /nfs/dbraw/zinc/87/27/95/905872795.db2.gz DKPKTNSSYNPTIC-UHFFFAOYSA-N -1 1 412.389 4.447 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000495332052 906381565 /nfs/dbraw/zinc/38/15/65/906381565.db2.gz LQSAKEOQPLVDDR-QFIPXVFZSA-N -1 1 414.509 4.239 20 0 HIADMM C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000512586078 921250529 /nfs/dbraw/zinc/25/05/29/921250529.db2.gz GSQRYPZRSPYVJD-MRVPVSSYSA-N -1 1 413.286 4.179 20 0 HIADMM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000496735743 906746596 /nfs/dbraw/zinc/74/65/96/906746596.db2.gz GQTICPLJPFSLTA-MRXNPFEDSA-N -1 1 412.486 4.426 20 0 HIADMM COc1cccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000497324814 906834571 /nfs/dbraw/zinc/83/45/71/906834571.db2.gz RERLHWGBOBJMTB-KRWDZBQOSA-N -1 1 424.522 4.295 20 0 HIADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000497569866 907055811 /nfs/dbraw/zinc/05/58/11/907055811.db2.gz VCFKUIBJZPOQFG-UHFFFAOYSA-N -1 1 418.927 4.391 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(-c4nccs4)cc3)c3cccc(c23)C1=O ZINC000512727758 921297434 /nfs/dbraw/zinc/29/74/34/921297434.db2.gz APOBMQLCKPASOD-UHFFFAOYSA-N -1 1 421.503 4.354 20 0 HIADMM CCSCc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000512728440 921298065 /nfs/dbraw/zinc/29/80/65/921298065.db2.gz GBQVAWHERAPNPP-UHFFFAOYSA-N -1 1 412.536 4.484 20 0 HIADMM CCCc1ccc([C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2cccs2)cc1 ZINC000497734935 907231654 /nfs/dbraw/zinc/23/16/54/907231654.db2.gz FHJNMCRXRYEHST-HXUWFJFHSA-N -1 1 403.507 4.457 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(Cc3ccccn3)ccc2C)c(=O)[n-]1 ZINC000512785707 921311176 /nfs/dbraw/zinc/31/11/76/921311176.db2.gz NGNSVMITBRTSQD-UHFFFAOYSA-N -1 1 408.527 4.078 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1 ZINC000497906334 907379756 /nfs/dbraw/zinc/37/97/56/907379756.db2.gz XQKARCDWJOSBIF-UHFFFAOYSA-N -1 1 423.600 4.498 20 0 HIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000497974091 907445583 /nfs/dbraw/zinc/44/55/83/907445583.db2.gz ADTXRBFIZATSJY-UHFFFAOYSA-N -1 1 422.417 4.118 20 0 HIADMM CC[C@@H](OC1CCCC1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498211426 907742075 /nfs/dbraw/zinc/74/20/75/907742075.db2.gz SXOFQODEQYVJMG-HXUWFJFHSA-N -1 1 402.516 4.164 20 0 HIADMM CC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1nccs1 ZINC000498214095 907744378 /nfs/dbraw/zinc/74/43/78/907744378.db2.gz NIQMJIJJIVIRCN-QGZVFWFLSA-N -1 1 416.528 4.217 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N(Cc1cccc(F)c1)C1CC1 ZINC000498351301 907852767 /nfs/dbraw/zinc/85/27/67/907852767.db2.gz BIOPYFVOGADRLB-UHFFFAOYSA-N -1 1 424.497 4.431 20 0 HIADMM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(C)c1 ZINC000498397251 907879735 /nfs/dbraw/zinc/87/97/35/907879735.db2.gz PUTKBAWOGXSOND-CQSZACIVSA-N -1 1 404.557 4.205 20 0 HIADMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000498432646 907899188 /nfs/dbraw/zinc/89/91/88/907899188.db2.gz GXRVSHUDPJYXCW-UHFFFAOYSA-N -1 1 412.433 4.051 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC1(C2CCCCC2)CCCCC1 ZINC000498820952 908228687 /nfs/dbraw/zinc/22/86/87/908228687.db2.gz AAYIXXROSZZXLX-UHFFFAOYSA-N -1 1 422.573 4.330 20 0 HIADMM COc1ccc(Oc2ccc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)cn2)cc1 ZINC000498875827 908274335 /nfs/dbraw/zinc/27/43/35/908274335.db2.gz XBCPAUNZCVLOKH-UHFFFAOYSA-N -1 1 414.421 4.089 20 0 HIADMM O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)c([O-])c1 ZINC000499097298 908458250 /nfs/dbraw/zinc/45/82/50/908458250.db2.gz OZJQVIOJDLBFEO-SFHVURJKSA-N -1 1 401.235 4.208 20 0 HIADMM CCSCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000500045022 909508584 /nfs/dbraw/zinc/50/85/84/909508584.db2.gz WUWBXPPZZXDLDD-UHFFFAOYSA-N -1 1 412.964 4.014 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3CC(C)C)cc2)cc1 ZINC000500153273 909630729 /nfs/dbraw/zinc/63/07/29/909630729.db2.gz YMKXYXBFJVRGEN-LJQANCHMSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1cc(CS(=O)(=O)[N-]C2(c3noc(C4CCCCC4)n3)CCCCCC2)no1 ZINC000513063305 921519950 /nfs/dbraw/zinc/51/99/50/921519950.db2.gz XRBKRNPUCFDBIQ-UHFFFAOYSA-N -1 1 422.551 4.083 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cccc1C(=O)N1CCCC1 ZINC000500316343 909778464 /nfs/dbraw/zinc/77/84/64/909778464.db2.gz ZWBGCMVGPKBOTC-UHFFFAOYSA-N -1 1 400.544 4.230 20 0 HIADMM Cc1ncc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)s1 ZINC000500848358 910122762 /nfs/dbraw/zinc/12/27/62/910122762.db2.gz HXWVAVKYTAPBAM-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCC2)cc1 ZINC000501021062 910238688 /nfs/dbraw/zinc/23/86/88/910238688.db2.gz GXUCVWBJCVCXNX-UHFFFAOYSA-N -1 1 400.544 4.376 20 0 HIADMM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000501733893 910796338 /nfs/dbraw/zinc/79/63/38/910796338.db2.gz HREHJBBIWXZLAY-FQEVSTJZSA-N -1 1 402.516 4.164 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1cncc(F)c1 ZINC000501791784 910844359 /nfs/dbraw/zinc/84/43/59/910844359.db2.gz HJLRYHAYDDZCTQ-UHFFFAOYSA-N -1 1 402.838 4.218 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OC[C@H]2CCCO2)c(C)c1 ZINC000501798780 910850501 /nfs/dbraw/zinc/85/05/01/910850501.db2.gz QYJXGARLEQRUPZ-GOSISDBHSA-N -1 1 405.516 4.061 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)c(C)c1 ZINC000501807831 910859620 /nfs/dbraw/zinc/85/96/20/910859620.db2.gz MHFCEYXILFCCHM-UHFFFAOYSA-N -1 1 416.543 4.175 20 0 HIADMM O=C(Cc1ccc(Cl)s1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000513197062 921616572 /nfs/dbraw/zinc/61/65/72/921616572.db2.gz MQEZBAMXVCMSDL-UHFFFAOYSA-N -1 1 406.916 4.384 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCC(F)(F)C3)c2)c1 ZINC000502032143 910990058 /nfs/dbraw/zinc/99/00/58/910990058.db2.gz NUNCKSHAHLICIT-INIZCTEOSA-N -1 1 422.497 4.351 20 0 HIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000502472615 911464269 /nfs/dbraw/zinc/46/42/69/911464269.db2.gz LGXYYYLCFQAQPI-UHFFFAOYSA-N -1 1 404.851 4.233 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000502774050 911798282 /nfs/dbraw/zinc/79/82/82/911798282.db2.gz YCZCPKXZRHCXGO-MRXNPFEDSA-N -1 1 412.486 4.426 20 0 HIADMM CC(C)Cc1nnc([N-]C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)s1 ZINC000503164182 912134935 /nfs/dbraw/zinc/13/49/35/912134935.db2.gz YERXTFWVQRZMKL-UHFFFAOYSA-N -1 1 410.528 4.298 20 0 HIADMM CCCCc1nnc([N-]C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)s1 ZINC000503165888 912137056 /nfs/dbraw/zinc/13/70/56/912137056.db2.gz DEEVPINXIXOMFX-UHFFFAOYSA-N -1 1 410.528 4.442 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1)N1CCCC1 ZINC000506707819 915385002 /nfs/dbraw/zinc/38/50/02/915385002.db2.gz OGLGUEDMIOORFF-UHFFFAOYSA-N -1 1 406.507 4.390 20 0 HIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000506848337 915628092 /nfs/dbraw/zinc/62/80/92/915628092.db2.gz XGMPIASQIDJZGJ-UHFFFAOYSA-N -1 1 418.622 4.012 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc4nc(C(F)F)sc4c3)ccc2N1 ZINC000507583532 916338063 /nfs/dbraw/zinc/33/80/63/916338063.db2.gz PUGBKMVFNHNQJW-UHFFFAOYSA-N -1 1 423.466 4.310 20 0 HIADMM CNC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)ccc1F ZINC000507587905 916341723 /nfs/dbraw/zinc/34/17/23/916341723.db2.gz YAYHNGKREUPVEA-UHFFFAOYSA-N -1 1 407.854 4.184 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000507903640 916774157 /nfs/dbraw/zinc/77/41/57/916774157.db2.gz RCXJYFFTEMRBQV-UHFFFAOYSA-N -1 1 415.433 4.088 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)c(F)cc2N1 ZINC000507951142 916812910 /nfs/dbraw/zinc/81/29/10/916812910.db2.gz NJRDODXDJDUFKS-UHFFFAOYSA-N -1 1 422.787 4.183 20 0 HIADMM CCCc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnn1-c1cccc(C)c1 ZINC000507969833 916821866 /nfs/dbraw/zinc/82/18/66/916821866.db2.gz MNYORXXVCFLFEY-UHFFFAOYSA-N -1 1 416.547 4.361 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2csc3ccccc32)c1-c1ccc2c(c1)OCO2 ZINC000508224017 917042691 /nfs/dbraw/zinc/04/26/91/917042691.db2.gz OHIVMUTZMKZDQS-UHFFFAOYSA-N -1 1 413.480 4.129 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(=O)[n-]1 ZINC000508288073 917100705 /nfs/dbraw/zinc/10/07/05/917100705.db2.gz XWKUOQSPRKABNH-UHFFFAOYSA-N -1 1 419.510 4.327 20 0 HIADMM CC1(C)CC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000508426310 917214714 /nfs/dbraw/zinc/21/47/14/917214714.db2.gz ODFCIOPIMXLWBR-OAHLLOKOSA-N -1 1 408.470 4.074 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nc(CCC(C)(C)C)no1 ZINC000508599039 917369037 /nfs/dbraw/zinc/36/90/37/917369037.db2.gz KLAZWGDUAIDRGH-NSHDSACASA-N -1 1 405.442 4.107 20 0 HIADMM CCOc1cc(C(=O)NC2(Cc3cccc(F)c3)CCOCC2)cc(Cl)c1[O-] ZINC000508712567 917473223 /nfs/dbraw/zinc/47/32/23/917473223.db2.gz DBKNFWQDKJUBHV-UHFFFAOYSA-N -1 1 407.869 4.105 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 ZINC000509103247 917842765 /nfs/dbraw/zinc/84/27/65/917842765.db2.gz MRNDHZMBJXVTGI-HNNXBMFYSA-N -1 1 404.557 4.224 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1 ZINC000509103564 917842895 /nfs/dbraw/zinc/84/28/95/917842895.db2.gz QBXUFHVRYZJLPO-UHFFFAOYSA-N -1 1 414.449 4.297 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)cc1NC(=O)N(C)C ZINC000509376287 918042081 /nfs/dbraw/zinc/04/20/81/918042081.db2.gz PDINDZJMXONOQP-UHFFFAOYSA-N -1 1 415.437 4.217 20 0 HIADMM Cc1ccc(-c2cncc(F)c2)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000509388579 918053709 /nfs/dbraw/zinc/05/37/09/918053709.db2.gz YQUIOMPHYISQTF-UHFFFAOYSA-N -1 1 420.849 4.349 20 0 HIADMM CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000509438177 918095007 /nfs/dbraw/zinc/09/50/07/918095007.db2.gz LYDKSJDHALLQEA-UWJYYQICSA-N -1 1 418.534 4.254 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000509524759 918173329 /nfs/dbraw/zinc/17/33/29/918173329.db2.gz ILQQTNZGXDTISF-UHFFFAOYSA-N -1 1 413.827 4.310 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3ccc(O)cc3)ccc2C)c1 ZINC000509818832 918420458 /nfs/dbraw/zinc/42/04/58/918420458.db2.gz KJRVBSWVZXQXIA-UHFFFAOYSA-N -1 1 424.522 4.381 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)c1cccc(F)c1F ZINC000510051926 918622883 /nfs/dbraw/zinc/62/28/83/918622883.db2.gz YCWAVQUUQRUGBZ-QMMMGPOBSA-N -1 1 424.252 4.098 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000511319267 919909981 /nfs/dbraw/zinc/90/99/81/919909981.db2.gz KCGGAYSHJRIAFC-UHFFFAOYSA-N -1 1 416.481 4.202 20 0 HIADMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1ccc(Br)cc1Cl ZINC000511357543 919953169 /nfs/dbraw/zinc/95/31/69/919953169.db2.gz CXVVQEYEANSXLU-UHFFFAOYSA-N -1 1 406.651 4.113 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)c(C)c1 ZINC000511714971 920380854 /nfs/dbraw/zinc/38/08/54/920380854.db2.gz XVESZIAMJARIOI-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM [O-]C(=Cc1cccc(Br)c1)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000511960792 920725039 /nfs/dbraw/zinc/72/50/39/920725039.db2.gz NWLFSJGSILXKDS-UHFFFAOYSA-N -1 1 408.708 4.224 20 0 HIADMM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000512031048 920803587 /nfs/dbraw/zinc/80/35/87/920803587.db2.gz LRNYDQFHJVDTFL-TZIWHRDSSA-N -1 1 406.530 4.169 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccc4c(c3)CCO4)no2)cc1)c1ccccc1 ZINC000512309053 921062523 /nfs/dbraw/zinc/06/25/23/921062523.db2.gz MFJPPFFNIYUKLL-UHFFFAOYSA-N -1 1 419.462 4.139 20 0 HIADMM [O-]C(=Cc1c[nH]c2cccc(Br)c12)Nc1nc(-c2ccsc2)ns1 ZINC000513782483 922107402 /nfs/dbraw/zinc/10/74/02/922107402.db2.gz GLRZNRJLJAICGD-UHFFFAOYSA-N -1 1 419.329 4.114 20 0 HIADMM O=C(CSc1nc([O-])cc(=O)n1C1CCCC1)Nc1cc(Cl)ccc1Cl ZINC000514397035 922612600 /nfs/dbraw/zinc/61/26/00/922612600.db2.gz FQMHLPLJOYMIDO-UHFFFAOYSA-N -1 1 414.314 4.102 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc2ncccc21 ZINC000514936094 922847707 /nfs/dbraw/zinc/84/77/07/922847707.db2.gz VUTKWWNEZNPRDT-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000515516780 923147370 /nfs/dbraw/zinc/14/73/70/923147370.db2.gz ISHCXLRJQWWBFD-AWEZNQCLSA-N -1 1 424.238 4.040 20 0 HIADMM O=C1CCCN1Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000515629114 923229720 /nfs/dbraw/zinc/22/97/20/923229720.db2.gz ZODIAEJTKZEYDQ-UHFFFAOYSA-N -1 1 406.507 4.277 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1Cl ZINC000515691216 923274743 /nfs/dbraw/zinc/27/47/43/923274743.db2.gz VTSMJHDGDLCXNC-UHFFFAOYSA-N -1 1 415.342 4.488 20 0 HIADMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000515697569 923281776 /nfs/dbraw/zinc/28/17/76/923281776.db2.gz VHPDAKFLMXDRFC-QGZVFWFLSA-N -1 1 412.555 4.381 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC3CC3)C(C)C)cc2)cc1C ZINC000515816982 923370933 /nfs/dbraw/zinc/37/09/33/923370933.db2.gz WCQXDOKEWDRNRL-UHFFFAOYSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)c1 ZINC000516148824 923575889 /nfs/dbraw/zinc/57/58/89/923575889.db2.gz CJVLOHPFFUVIDC-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H]2C(C)C)c1 ZINC000516397706 923710875 /nfs/dbraw/zinc/71/08/75/923710875.db2.gz MQEACUKVFMYWPJ-LJQANCHMSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(NC(=O)c2c[nH]nc2-c2ccoc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000516536604 923784903 /nfs/dbraw/zinc/78/49/03/923784903.db2.gz HTZYMCOVQAYYEU-UHFFFAOYSA-N -1 1 422.466 4.031 20 0 HIADMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cc(-c2ccncc2)on1 ZINC000516538079 923786604 /nfs/dbraw/zinc/78/66/04/923786604.db2.gz UNQUYHKKMMAEHS-UHFFFAOYSA-N -1 1 407.499 4.308 20 0 HIADMM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cc(Br)ccc2OC)cc1 ZINC000516615175 923817590 /nfs/dbraw/zinc/81/75/90/923817590.db2.gz PXBGKKUOBJNCJQ-SFHVURJKSA-N -1 1 408.292 4.162 20 0 HIADMM CCOc1cc(-c2noc([C@H]3Cc4ccccc4CN3C(C)=O)n2)cc(Cl)c1[O-] ZINC000516996553 923959358 /nfs/dbraw/zinc/95/93/58/923959358.db2.gz SLINCXXXFGZQQF-QGZVFWFLSA-N -1 1 413.861 4.140 20 0 HIADMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2s1 ZINC000517168665 924035425 /nfs/dbraw/zinc/03/54/25/924035425.db2.gz IPMIQJCOCSTZCH-UHFFFAOYSA-N -1 1 407.492 4.283 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)ccc1F ZINC000517171788 924036775 /nfs/dbraw/zinc/03/67/75/924036775.db2.gz YYRLVGBAVFWERN-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000517243182 924058093 /nfs/dbraw/zinc/05/80/93/924058093.db2.gz SNEOXKFOLIOQHS-UHFFFAOYSA-N -1 1 402.439 4.034 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(I)c([O-])c2)[C@H]1c1cccs1 ZINC000517256965 924064036 /nfs/dbraw/zinc/06/40/36/924064036.db2.gz RIWYYRHAVLXIJT-AWEZNQCLSA-N -1 1 413.280 4.282 20 0 HIADMM CC[C@H](c1nnc([N-]C(=O)c2csc(-c3cnn(C)c3)n2)s1)c1ccccc1 ZINC000517361362 924133385 /nfs/dbraw/zinc/13/33/85/924133385.db2.gz OFABTPBNJPYTDO-AWEZNQCLSA-N -1 1 410.528 4.189 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)c(Cl)c2)c(C)c1 ZINC000517361960 924133708 /nfs/dbraw/zinc/13/37/08/924133708.db2.gz SSIUDYCXBHRUTE-UHFFFAOYSA-N -1 1 422.934 4.084 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(Cc4ccccc4)no3)c2)c1 ZINC000517607684 926716261 /nfs/dbraw/zinc/71/62/61/926716261.db2.gz YUTOCWFJCZWPQT-UHFFFAOYSA-N -1 1 405.479 4.437 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(-c4cccnc4)no3)c2)c1 ZINC000517610373 926719139 /nfs/dbraw/zinc/71/91/39/926719139.db2.gz PXWHIUITGBTUFR-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM C[C@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc2c(c1)CCCC2 ZINC000517622804 926730721 /nfs/dbraw/zinc/73/07/21/926730721.db2.gz MJEYOONRGYQRNX-NSHDSACASA-N -1 1 411.449 4.049 20 0 HIADMM CC(C)c1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n[nH]1 ZINC000517926486 926892111 /nfs/dbraw/zinc/89/21/11/926892111.db2.gz GFQOUYKVXGYPTJ-UHFFFAOYSA-N -1 1 418.906 4.240 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000517926717 926892829 /nfs/dbraw/zinc/89/28/29/926892829.db2.gz LWGDTOWKHGNCLB-UHFFFAOYSA-N -1 1 421.471 4.274 20 0 HIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000518057521 926994114 /nfs/dbraw/zinc/99/41/14/926994114.db2.gz ZVDWYWPXJBJUCC-UHFFFAOYSA-N -1 1 404.532 4.397 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)Cc2ccccc2)cc1OC ZINC000518332155 927196620 /nfs/dbraw/zinc/19/66/20/927196620.db2.gz GQGGJSFRMVDLMV-UHFFFAOYSA-N -1 1 412.511 4.141 20 0 HIADMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000518432579 927266096 /nfs/dbraw/zinc/26/60/96/927266096.db2.gz VCRKTDJAYDPYDM-IVZQSRNASA-N -1 1 424.497 4.290 20 0 HIADMM CC(=O)c1csc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000518550221 927341536 /nfs/dbraw/zinc/34/15/36/927341536.db2.gz POLLRXCBNGUSOJ-UHFFFAOYSA-N -1 1 414.508 4.312 20 0 HIADMM O=C(CCCSc1ccc(Br)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000518655656 927409805 /nfs/dbraw/zinc/40/98/05/927409805.db2.gz SRXWEDLTUWZTAM-UHFFFAOYSA-N -1 1 409.231 4.097 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Sc2nccn2C)c(C)c1 ZINC000518704691 927445862 /nfs/dbraw/zinc/44/58/62/927445862.db2.gz ZFSQLBXFEXGMLT-UHFFFAOYSA-N -1 1 423.947 4.343 20 0 HIADMM CC(C)[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000518793928 927497381 /nfs/dbraw/zinc/49/73/81/927497381.db2.gz LSDXQNGYLPPQLT-LJQANCHMSA-N -1 1 406.935 4.401 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000518815535 927511490 /nfs/dbraw/zinc/51/14/90/927511490.db2.gz GEKGVLOEPAOHME-UHFFFAOYSA-N -1 1 424.482 4.227 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc1 ZINC000518990566 927678642 /nfs/dbraw/zinc/67/86/42/927678642.db2.gz FQNAZFZUCAJEBU-OAHLLOKOSA-N -1 1 406.523 4.442 20 0 HIADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000519092315 927764860 /nfs/dbraw/zinc/76/48/60/927764860.db2.gz AIVPWTWKWUVLML-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)ccc1F ZINC000519232297 927838719 /nfs/dbraw/zinc/83/87/19/927838719.db2.gz VOJBMJKQIYSPFR-CQSZACIVSA-N -1 1 404.507 4.115 20 0 HIADMM Cc1ocnc1-c1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000519298705 927870003 /nfs/dbraw/zinc/87/00/03/927870003.db2.gz XYGKAEMRMCGYBJ-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)ccc1Cl ZINC000519438750 927948839 /nfs/dbraw/zinc/94/88/39/927948839.db2.gz VEZBBBDZKDUOIL-UHFFFAOYSA-N -1 1 412.902 4.212 20 0 HIADMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cn2ccnc2C(C)C)c1 ZINC000519476606 927976871 /nfs/dbraw/zinc/97/68/71/927976871.db2.gz GFTQLOXKWHBZHF-UHFFFAOYSA-N -1 1 414.487 4.072 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000520016053 928240889 /nfs/dbraw/zinc/24/08/89/928240889.db2.gz FQMXJCPNDAMGOT-UHFFFAOYSA-N -1 1 419.510 4.055 20 0 HIADMM O=S(=O)([N-]c1cccc(COC2CCCCC2)c1)c1ccc2c(c1)OCCCO2 ZINC000520699998 928746887 /nfs/dbraw/zinc/74/68/87/928746887.db2.gz UANJDYKAKHVTQR-UHFFFAOYSA-N -1 1 417.527 4.498 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2C)cc1C ZINC000520699882 928746982 /nfs/dbraw/zinc/74/69/82/928746982.db2.gz BTWLMVBCVZCHSW-INIZCTEOSA-N -1 1 404.507 4.258 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2F)cc1 ZINC000520874105 928854254 /nfs/dbraw/zinc/85/42/54/928854254.db2.gz FAOMWSYTKXGTIX-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COCc1noc(-c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)n1 ZINC000521043578 928955611 /nfs/dbraw/zinc/95/56/11/928955611.db2.gz OAFUTYFCLBKHNN-UHFFFAOYSA-N -1 1 415.515 4.226 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1OC ZINC000521147166 929024422 /nfs/dbraw/zinc/02/44/22/929024422.db2.gz QSNZWVFOAXBRLS-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)cc1C ZINC000521328578 929143687 /nfs/dbraw/zinc/14/36/87/929143687.db2.gz AXTBCQRNVILAHW-UHFFFAOYSA-N -1 1 416.543 4.175 20 0 HIADMM COC(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)s1 ZINC000521379953 929196803 /nfs/dbraw/zinc/19/68/03/929196803.db2.gz FEZUDHZKIUOCMO-UHFFFAOYSA-N -1 1 424.301 4.068 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000521495321 929252870 /nfs/dbraw/zinc/25/28/70/929252870.db2.gz UQSVINLESBKMNP-QFIPXVFZSA-N -1 1 402.498 4.143 20 0 HIADMM COc1cc(CN(C)C(=O)c2ccc(Br)cc2[O-])ccc1OC(F)F ZINC000521626450 929333865 /nfs/dbraw/zinc/33/38/65/929333865.db2.gz HGTQDDHZSLEJCX-UHFFFAOYSA-N -1 1 416.218 4.037 20 0 HIADMM CC[C@H](c1nnc([N-]C(=O)c2csc(-c3cnccn3)n2)s1)c1ccccc1 ZINC000521632933 929334947 /nfs/dbraw/zinc/33/49/47/929334947.db2.gz OAVKXFXBJQCLNN-ZDUSSCGKSA-N -1 1 408.512 4.246 20 0 HIADMM O=C(N[C@@H](Cc1ccccc1Cl)c1ccccc1)c1nc2ccccc2c(=O)[n-]1 ZINC000521727840 929391470 /nfs/dbraw/zinc/39/14/70/929391470.db2.gz WOEHHSCANXEIRM-FQEVSTJZSA-N -1 1 403.869 4.290 20 0 HIADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000521835561 929488622 /nfs/dbraw/zinc/48/86/22/929488622.db2.gz LUINHJGGKLAJSS-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2nc(Cc3cccc(Br)c3)no2)n1 ZINC000521837304 929490938 /nfs/dbraw/zinc/49/09/38/929490938.db2.gz QTFOEPSLHHZKGP-UHFFFAOYSA-N -1 1 421.320 4.163 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)Cc3cccs3)c2)c1 ZINC000524483948 929632989 /nfs/dbraw/zinc/63/29/89/929632989.db2.gz YGBAUFNOVKAYCG-INIZCTEOSA-N -1 1 414.552 4.218 20 0 HIADMM C[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)[C@H]1C ZINC000524653988 929766982 /nfs/dbraw/zinc/76/69/82/929766982.db2.gz PAZPBQICWBRWEZ-KBPBESRZSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1ccc([C@H]2CCCCN2C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000524655163 929768950 /nfs/dbraw/zinc/76/89/50/929768950.db2.gz YHVOICRNBNGPCE-OAQYLSRUSA-N -1 1 402.498 4.157 20 0 HIADMM CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000524898564 929879392 /nfs/dbraw/zinc/87/93/92/929879392.db2.gz UOPRSNULNRAHEJ-SFHVURJKSA-N -1 1 405.520 4.072 20 0 HIADMM CC[C@H]1CCC[C@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000524927590 929893987 /nfs/dbraw/zinc/89/39/87/929893987.db2.gz APZZWXITMDCFQZ-HKUYNNGSSA-N -1 1 415.559 4.255 20 0 HIADMM CC[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000524927591 929894188 /nfs/dbraw/zinc/89/41/88/929894188.db2.gz APZZWXITMDCFQZ-IEBWSBKVSA-N -1 1 415.559 4.255 20 0 HIADMM O=C(Cc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525069320 930015855 /nfs/dbraw/zinc/01/58/55/930015855.db2.gz WOUKYWXFKMMRHL-UHFFFAOYSA-N -1 1 400.887 4.322 20 0 HIADMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525069016 930015900 /nfs/dbraw/zinc/01/59/00/930015900.db2.gz OMLWKMRLHTXCJO-MRXNPFEDSA-N -1 1 412.486 4.444 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000525086051 930026576 /nfs/dbraw/zinc/02/65/76/930026576.db2.gz VIAUJPHGMDSRDB-UNMCSNQZSA-N -1 1 412.555 4.494 20 0 HIADMM C[C@H]1CCC[C@H](C)N(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000525104390 930038885 /nfs/dbraw/zinc/03/88/85/930038885.db2.gz ZMRYXPQZLSULGI-GJZGRUSLSA-N -1 1 422.497 4.416 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)S[C@@H](C)C2)c1 ZINC000525203930 930086139 /nfs/dbraw/zinc/08/61/39/930086139.db2.gz VGYHDJCTEJTNHX-IRXDYDNUSA-N -1 1 418.584 4.070 20 0 HIADMM CC1(C)CCC(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000525253663 930109500 /nfs/dbraw/zinc/10/95/00/930109500.db2.gz BOATWUMRBYGKBE-UHFFFAOYSA-N -1 1 404.507 4.325 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1)N1CCCCCC1 ZINC000525523442 930300980 /nfs/dbraw/zinc/30/09/80/930300980.db2.gz DFMBNVOTWNMSMJ-UHFFFAOYSA-N -1 1 424.526 4.444 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c(F)cc(F)cc1F ZINC000525577852 930340872 /nfs/dbraw/zinc/34/08/72/930340872.db2.gz DSGWOOIWJCWWMG-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM COc1ccc(NC(=O)c2ccccc2OC2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000525583570 930346028 /nfs/dbraw/zinc/34/60/28/930346028.db2.gz GLJZSDUJIUPNAS-UHFFFAOYSA-N -1 1 418.515 4.031 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)OC(C)(C)C)c2)cc1Cl ZINC000525741615 930423434 /nfs/dbraw/zinc/42/34/34/930423434.db2.gz BATRWAWYFNJZGQ-UHFFFAOYSA-N -1 1 411.907 4.034 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C(C)(C)CC)c2)cc1 ZINC000527189799 930609490 /nfs/dbraw/zinc/60/94/90/930609490.db2.gz QRTIJBXVNFHTOA-UHFFFAOYSA-N -1 1 404.532 4.147 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)OC)cc2)c1C ZINC000530684951 930797306 /nfs/dbraw/zinc/79/73/06/930797306.db2.gz KEEJTKBCIJHKDU-UHFFFAOYSA-N -1 1 419.543 4.217 20 0 HIADMM Cc1nc(-c2ccc(CNC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)s2)cs1 ZINC000531338886 931021581 /nfs/dbraw/zinc/02/15/81/931021581.db2.gz QOFRNZJWNUJHGZ-UHFFFAOYSA-N -1 1 402.545 4.212 20 0 HIADMM O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(F)cc1[O-] ZINC000531755788 931183884 /nfs/dbraw/zinc/18/38/84/931183884.db2.gz UHBDXDNFRLFMQO-UHFFFAOYSA-N -1 1 410.430 4.103 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)cc1 ZINC000531780610 931194809 /nfs/dbraw/zinc/19/48/09/931194809.db2.gz DBLQFEFOIICJMU-UHFFFAOYSA-N -1 1 404.713 4.092 20 0 HIADMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000531780452 931195078 /nfs/dbraw/zinc/19/50/78/931195078.db2.gz HBEJAIFTEFDMMO-UHFFFAOYSA-N -1 1 422.506 4.393 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)nc3C)ccc2C)c1 ZINC000532030698 931290841 /nfs/dbraw/zinc/29/08/41/931290841.db2.gz SNWSXSMQJNLLQW-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000532267066 931376199 /nfs/dbraw/zinc/37/61/99/931376199.db2.gz BECPFFOFYKJSHC-GFCCVEGCSA-N -1 1 411.260 4.329 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c(C)n1 ZINC000532285254 931384236 /nfs/dbraw/zinc/38/42/36/931384236.db2.gz XQCJKFJXKAKGRA-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000532286698 931384726 /nfs/dbraw/zinc/38/47/26/931384726.db2.gz VKITYYAHWBHZNI-UHFFFAOYSA-N -1 1 409.916 4.006 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)cc1Cl ZINC000532907621 931688008 /nfs/dbraw/zinc/68/80/08/931688008.db2.gz MRXGQIGKPZLLBA-UHFFFAOYSA-N -1 1 416.286 4.403 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@H]1COc2ccccc21 ZINC000533179951 931802990 /nfs/dbraw/zinc/80/29/90/931802990.db2.gz OUFARUGIKLWUNL-ZYHUDNBSSA-N -1 1 405.825 4.202 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C)cc3Br)c2C)o1 ZINC000533228954 931814675 /nfs/dbraw/zinc/81/46/75/931814675.db2.gz PBQWNSVKNGCZNK-UHFFFAOYSA-N -1 1 410.293 4.158 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000533330836 931840186 /nfs/dbraw/zinc/84/01/86/931840186.db2.gz VXPWZQZIQLOPCR-KSFYIVLOSA-N -1 1 415.511 4.037 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000533330835 931840303 /nfs/dbraw/zinc/84/03/03/931840303.db2.gz VXPWZQZIQLOPCR-AOMKIAJQSA-N -1 1 415.511 4.037 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)co1 ZINC000533718099 931988816 /nfs/dbraw/zinc/98/88/16/931988816.db2.gz BRQVQBGORFOUJE-UHFFFAOYSA-N -1 1 416.524 4.208 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(Br)c(F)c1 ZINC000533939228 932111962 /nfs/dbraw/zinc/11/19/62/932111962.db2.gz HMRXBOLTZBAHGH-UHFFFAOYSA-N -1 1 420.210 4.203 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CCC(F)(F)CC3)c2)cc1 ZINC000534207536 932331526 /nfs/dbraw/zinc/33/15/26/932331526.db2.gz QJBORFCQVHQODK-UHFFFAOYSA-N -1 1 408.470 4.104 20 0 HIADMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1Cl ZINC000534206561 932332037 /nfs/dbraw/zinc/33/20/37/932332037.db2.gz GYKPCPORBVFOBR-UHFFFAOYSA-N -1 1 411.785 4.156 20 0 HIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cnn(-c2ccccc2F)c1 ZINC000534244936 932361903 /nfs/dbraw/zinc/36/19/03/932361903.db2.gz UVGSAXWLABKVHF-UHFFFAOYSA-N -1 1 419.787 4.484 20 0 HIADMM CCOc1ccccc1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000534393859 932417858 /nfs/dbraw/zinc/41/78/58/932417858.db2.gz XOGLQHFLTWOVSE-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)c(C)c1 ZINC000534616950 932599832 /nfs/dbraw/zinc/59/98/32/932599832.db2.gz REHXYYDXMXQWIS-UHFFFAOYSA-N -1 1 415.540 4.171 20 0 HIADMM O=C(Nc1cncc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000534758508 932736332 /nfs/dbraw/zinc/73/63/32/932736332.db2.gz MBAHRXPKLZSALH-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)c1 ZINC000535094166 932906777 /nfs/dbraw/zinc/90/67/77/932906777.db2.gz JTVXUUWAYNERSF-UHFFFAOYSA-N -1 1 418.375 4.116 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CSC3CCCCC3)c2)co1 ZINC000535134488 932953811 /nfs/dbraw/zinc/95/38/11/932953811.db2.gz VIVDOMHRXVUPJO-UHFFFAOYSA-N -1 1 408.545 4.006 20 0 HIADMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC)c(CC)c2)c1C ZINC000535235601 933032955 /nfs/dbraw/zinc/03/29/55/933032955.db2.gz XZXJGDLVRMOUQL-UHFFFAOYSA-N -1 1 424.588 4.072 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000535388437 933108691 /nfs/dbraw/zinc/10/86/91/933108691.db2.gz XXUTXLFJPCGYLX-UHFFFAOYSA-N -1 1 416.247 4.372 20 0 HIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000535400378 933116591 /nfs/dbraw/zinc/11/65/91/933116591.db2.gz FZUBVPDXOPUOBK-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM COc1cc(C(=O)[N-]c2cc3c(cc2SC)OCCO3)sc1Br ZINC000535409154 933121928 /nfs/dbraw/zinc/12/19/28/933121928.db2.gz JJJWXYKQBGWJRP-UHFFFAOYSA-N -1 1 416.318 4.265 20 0 HIADMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000535891202 933473122 /nfs/dbraw/zinc/47/31/22/933473122.db2.gz BMWCXTKBBKVFIG-UHFFFAOYSA-N -1 1 401.509 4.296 20 0 HIADMM CC1=CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000535950545 933517115 /nfs/dbraw/zinc/51/71/15/933517115.db2.gz WKCUARPFQHMLSM-UHFFFAOYSA-N -1 1 424.444 4.298 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1 ZINC000537394554 933756182 /nfs/dbraw/zinc/75/61/82/933756182.db2.gz NGERQOYDGQRAEB-UHFFFAOYSA-N -1 1 409.467 4.479 20 0 HIADMM O=C(N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000537421264 933769776 /nfs/dbraw/zinc/76/97/76/933769776.db2.gz CRHCGMCCJCNPGQ-ZBFHGGJFSA-N -1 1 401.388 4.008 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(C(C)(C)Cc2ccccc2)no1 ZINC000562559985 945098766 /nfs/dbraw/zinc/09/87/66/945098766.db2.gz TXZQTUOZAZZCCD-UHFFFAOYSA-N -1 1 415.497 4.241 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc3ccccc32)c1-c1ccc2c(c1)OCCO2 ZINC000537873068 938396065 /nfs/dbraw/zinc/39/60/65/938396065.db2.gz OXXNBFJEJUFXEY-UHFFFAOYSA-N -1 1 421.478 4.110 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3[C@H](C)CC[C@H]3CC)cc2)cc1 ZINC000537916241 938412199 /nfs/dbraw/zinc/41/21/99/938412199.db2.gz GRADTXGBUPLRKZ-VQIMIIECSA-N -1 1 416.543 4.289 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(COc3ccccc3)cc2)c1 ZINC000538022849 938466403 /nfs/dbraw/zinc/46/64/03/938466403.db2.gz IJUDCCYXLDLBIE-UHFFFAOYSA-N -1 1 410.495 4.198 20 0 HIADMM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)C1 ZINC000538049103 938482563 /nfs/dbraw/zinc/48/25/63/938482563.db2.gz IREZPKSUQNFDQB-NVXWUHKLSA-N -1 1 414.543 4.291 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000538052528 938485427 /nfs/dbraw/zinc/48/54/27/938485427.db2.gz UPHXHUNZJSVRGA-NEPJUHHUSA-N -1 1 417.289 4.246 20 0 HIADMM CC(C)c1ccc2nc(-c3ccc(I)c([O-])c3)[nH]c(=O)c2c1 ZINC000538431692 938618218 /nfs/dbraw/zinc/61/82/18/938618218.db2.gz PBQYBAXOBOJMAA-UHFFFAOYSA-N -1 1 406.223 4.436 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccc3Nc3ccc(F)cc3)ccc2[nH]1 ZINC000538496599 938635756 /nfs/dbraw/zinc/63/57/56/938635756.db2.gz UGRSEGCMENBPFD-UHFFFAOYSA-N -1 1 409.442 4.212 20 0 HIADMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000563474173 945195700 /nfs/dbraw/zinc/19/57/00/945195700.db2.gz OOORGIPCLGZRDR-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C)[C@H](C)C(C)(C)C)c([O-])c2)c1 ZINC000538743759 938699632 /nfs/dbraw/zinc/69/96/32/938699632.db2.gz ILGIPTUTIXRJSV-CQSZACIVSA-N -1 1 414.502 4.168 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C3CC3)C3CCCC3)c([O-])c2)c1 ZINC000538789552 938712266 /nfs/dbraw/zinc/71/22/66/938712266.db2.gz WORIYBUDAILMHW-UHFFFAOYSA-N -1 1 424.497 4.209 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)c1Cl ZINC000538842636 938723728 /nfs/dbraw/zinc/72/37/28/938723728.db2.gz HPTHHHGZDRLZDK-UHFFFAOYSA-N -1 1 414.980 4.216 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ncccc1C(F)(F)F ZINC000538861826 938727060 /nfs/dbraw/zinc/72/70/60/938727060.db2.gz VJCVDWBFOAUEFZ-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM Cn1ncc2c1nc(Sc1nc(-c3ccccc3)c(-c3ccccc3)[nH]1)[n-]c2=O ZINC000538892583 938731451 /nfs/dbraw/zinc/73/14/51/938731451.db2.gz IZKRPABODCANAY-UHFFFAOYSA-N -1 1 400.467 4.277 20 0 HIADMM O=C(c1ccc(Oc2ccc(Cl)cc2Cl)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539325360 938841693 /nfs/dbraw/zinc/84/16/93/938841693.db2.gz GCWWDPUGUJZDQY-ZDUSSCGKSA-N -1 1 418.284 4.319 20 0 HIADMM O=C(C[C@@H]1C=CCC1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000539970679 938982540 /nfs/dbraw/zinc/98/25/40/938982540.db2.gz JJNCGZDDXCUCNS-CYBMUJFWSA-N -1 1 406.891 4.141 20 0 HIADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)ccc12 ZINC000563639459 945228877 /nfs/dbraw/zinc/22/88/77/945228877.db2.gz AHSUDWVIBSZGSP-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1 ZINC000540214157 939131925 /nfs/dbraw/zinc/13/19/25/939131925.db2.gz YSLMOEHQEQIEES-MRXNPFEDSA-N -1 1 404.532 4.111 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541133926 939472558 /nfs/dbraw/zinc/47/25/58/939472558.db2.gz LSZOFNJYICHRBW-OAHLLOKOSA-N -1 1 423.435 4.021 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CC(C)(C)C3)cc2)cc1 ZINC000541511936 939540943 /nfs/dbraw/zinc/54/09/43/939540943.db2.gz ULGIXGVXBHRGOE-MRXNPFEDSA-N -1 1 416.543 4.004 20 0 HIADMM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2-c2ccno2)cc(Cl)c1Cl ZINC000542005956 939682106 /nfs/dbraw/zinc/68/21/06/939682106.db2.gz JSPPBUGTVFPJHO-UHFFFAOYSA-N -1 1 413.238 4.147 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H]2CCCC[C@H]21 ZINC000542060449 939701529 /nfs/dbraw/zinc/70/15/29/939701529.db2.gz GAZDLAXZNKDANH-GQWLDOHISA-N -1 1 416.518 4.277 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ncccn3)cc2C)c(C)c1F ZINC000542092024 939707465 /nfs/dbraw/zinc/70/74/65/939707465.db2.gz DVODWJFAZCYACM-UHFFFAOYSA-N -1 1 419.503 4.193 20 0 HIADMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000542236932 939770073 /nfs/dbraw/zinc/77/00/73/939770073.db2.gz JBYRBUOWPNKWST-UHFFFAOYSA-N -1 1 406.467 4.271 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H]3CCCCS3)c2)c1 ZINC000542397294 939814465 /nfs/dbraw/zinc/81/44/65/939814465.db2.gz RIDAGLOZPLOOTK-IBGZPJMESA-N -1 1 418.584 4.120 20 0 HIADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000542417628 939817747 /nfs/dbraw/zinc/81/77/47/939817747.db2.gz BADIRTPBGHYCID-INIZCTEOSA-N -1 1 404.507 4.135 20 0 HIADMM C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1C ZINC000542753724 939859069 /nfs/dbraw/zinc/85/90/69/939859069.db2.gz ZLNAMZUMFKSZTH-LMMKCTJWSA-N -1 1 415.559 4.111 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c(Cl)c1 ZINC000563750352 945282078 /nfs/dbraw/zinc/28/20/78/945282078.db2.gz ZDKZCZXIHXVBCI-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000543163173 939981669 /nfs/dbraw/zinc/98/16/69/939981669.db2.gz DMEPATXANMHGDB-SNVBAGLBSA-N -1 1 405.369 4.224 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2C)c(C)c1F ZINC000543165597 939983051 /nfs/dbraw/zinc/98/30/51/939983051.db2.gz HYWCLDADOLHJSJ-UHFFFAOYSA-N -1 1 417.462 4.179 20 0 HIADMM O=S(=O)([N-]c1ccnc(Sc2ccccn2)c1)c1ccc(OCC(F)F)cc1 ZINC000543164892 939983173 /nfs/dbraw/zinc/98/31/73/939983173.db2.gz BKXVPFVKMQQQBA-UHFFFAOYSA-N -1 1 423.466 4.073 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCCCS2)c1 ZINC000543326867 940032128 /nfs/dbraw/zinc/03/21/28/940032128.db2.gz QJXHZUGLLONOBN-QGZVFWFLSA-N -1 1 418.584 4.120 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CC(F)(F)F)cc2)c1 ZINC000543525432 940096429 /nfs/dbraw/zinc/09/64/29/940096429.db2.gz BRUIGVJSCVQUAL-UHFFFAOYSA-N -1 1 419.359 4.298 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)cc2C)c1 ZINC000543536739 940097543 /nfs/dbraw/zinc/09/75/43/940097543.db2.gz HXQAVIJDLHVRHS-UHFFFAOYSA-N -1 1 409.442 4.289 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000543651115 940150693 /nfs/dbraw/zinc/15/06/93/940150693.db2.gz HGCIYGVZYFJMQV-UHFFFAOYSA-N -1 1 407.532 4.218 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)ccc1OCC(F)(F)F ZINC000543862657 940214587 /nfs/dbraw/zinc/21/45/87/940214587.db2.gz GQXGYEVBZLTKSB-UHFFFAOYSA-N -1 1 412.389 4.392 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(C)(C)C)c(F)c2)ccc1C ZINC000543911721 940239850 /nfs/dbraw/zinc/23/98/50/940239850.db2.gz DLMURMCOSDHXGB-UHFFFAOYSA-N -1 1 412.458 4.210 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1 ZINC000543947169 940260422 /nfs/dbraw/zinc/26/04/22/940260422.db2.gz BZYSMZRPGVCANN-RBDMOPTHSA-N -1 1 412.555 4.447 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1 ZINC000543947171 940260886 /nfs/dbraw/zinc/26/08/86/940260886.db2.gz BZYSMZRPGVCANN-WEYGHZABSA-N -1 1 412.555 4.447 20 0 HIADMM Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000544027819 940304033 /nfs/dbraw/zinc/30/40/33/940304033.db2.gz OXZAXBGSALVENW-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000544646873 940497913 /nfs/dbraw/zinc/49/79/13/940497913.db2.gz UBOIREWILDCXAG-SNVBAGLBSA-N -1 1 421.824 4.423 20 0 HIADMM CC1(c2ccccc2)CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000544877077 940521114 /nfs/dbraw/zinc/52/11/14/940521114.db2.gz KMZKAWLPJXQZKK-UHFFFAOYSA-N -1 1 421.278 4.191 20 0 HIADMM CC(C)C[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000544887040 940521787 /nfs/dbraw/zinc/52/17/87/940521787.db2.gz NYILFFQWACTLAB-QGZVFWFLSA-N -1 1 401.532 4.387 20 0 HIADMM Cc1ccc(-c2noc(-c3cc(S(=O)(=O)[N-]c4ccc(F)cc4)ccc3C)n2)cn1 ZINC000544948479 940527342 /nfs/dbraw/zinc/52/73/42/940527342.db2.gz DEOVEGYSJAGTSV-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(CCCOC(C)C)no3)c2)cc1 ZINC000545043766 940536514 /nfs/dbraw/zinc/53/65/14/940536514.db2.gz QVPWVFPXCBAGTR-UHFFFAOYSA-N -1 1 415.515 4.203 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2OC(F)F)c(=O)[n-]1 ZINC000545107882 940543424 /nfs/dbraw/zinc/54/34/24/940543424.db2.gz LHVDVWWMSGBOKQ-UHFFFAOYSA-N -1 1 403.838 4.039 20 0 HIADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000545120423 940544638 /nfs/dbraw/zinc/54/46/38/940544638.db2.gz FRMSMQTZSKBCED-DEOSSOPVSA-N -1 1 411.854 4.038 20 0 HIADMM CCOC(=O)C[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)c1ccc(F)cc1 ZINC000545169098 940553576 /nfs/dbraw/zinc/55/35/76/940553576.db2.gz WCYJFHAEWDNJJB-INIZCTEOSA-N -1 1 409.841 4.008 20 0 HIADMM CCOc1cc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc(Cl)c1[O-] ZINC000545169457 940553837 /nfs/dbraw/zinc/55/38/37/940553837.db2.gz DDFXGUNPLCQERO-UHFFFAOYSA-N -1 1 404.825 4.211 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545512423 940572547 /nfs/dbraw/zinc/57/25/47/940572547.db2.gz VYNNOAVRQJTWHA-KRWDZBQOSA-N -1 1 407.561 4.093 20 0 HIADMM C[C@@H](Cc1cccs1)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545514034 940572603 /nfs/dbraw/zinc/57/26/03/940572603.db2.gz MPNUNAZAVJZXCA-HNNXBMFYSA-N -1 1 415.540 4.302 20 0 HIADMM C[C@@H]1C[C@H](C)CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000545514041 940572668 /nfs/dbraw/zinc/57/26/68/940572668.db2.gz MUXALAJDTOFWRX-IAGOWNOFSA-N -1 1 401.532 4.387 20 0 HIADMM Cc1ccc(Cl)cc1-c1noc(CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000545688983 940580816 /nfs/dbraw/zinc/58/08/16/940580816.db2.gz ORXSDLVZNYCHTB-UHFFFAOYSA-N -1 1 407.861 4.350 20 0 HIADMM CCOc1cc(C(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cc(Cl)c1[O-] ZINC000545853114 940636542 /nfs/dbraw/zinc/63/65/42/940636542.db2.gz ATKUNWPDCDZRAO-ZDUSSCGKSA-N -1 1 424.875 4.242 20 0 HIADMM CCOc1cc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cc(Cl)c1[O-] ZINC000545853943 940637407 /nfs/dbraw/zinc/63/74/07/940637407.db2.gz LKNIOFXJFURKOG-GOSISDBHSA-N -1 1 403.906 4.308 20 0 HIADMM CCOc1cc(C(=O)N2CCC(CN3CCc4ccccc43)CC2)cc(Cl)c1[O-] ZINC000545855188 940639003 /nfs/dbraw/zinc/63/90/03/940639003.db2.gz CNSQIOXLESRVEW-UHFFFAOYSA-N -1 1 414.933 4.359 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000545856216 940639252 /nfs/dbraw/zinc/63/92/52/940639252.db2.gz HZKDGAUTZZDJQI-CQSZACIVSA-N -1 1 404.894 4.090 20 0 HIADMM CCOc1cc(C(=O)NCc2cc(F)ccc2Br)cc(Cl)c1[O-] ZINC000545876693 940647981 /nfs/dbraw/zinc/64/79/81/940647981.db2.gz WWRGBCZUDWHQNO-UHFFFAOYSA-N -1 1 402.647 4.276 20 0 HIADMM CCOc1cc(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc(Cl)c1[O-] ZINC000545877786 940649182 /nfs/dbraw/zinc/64/91/82/940649182.db2.gz YIHVFQXZUGKTGW-UHFFFAOYSA-N -1 1 412.873 4.348 20 0 HIADMM COc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc(Cl)c1[O-] ZINC000545882911 940651863 /nfs/dbraw/zinc/65/18/63/940651863.db2.gz YCXYMLSOTJSRQR-UHFFFAOYSA-N -1 1 407.904 4.450 20 0 HIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000545891784 940653886 /nfs/dbraw/zinc/65/38/86/940653886.db2.gz CGFNZGDNYFVUKQ-UHFFFAOYSA-N -1 1 406.733 4.298 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000546250855 940749408 /nfs/dbraw/zinc/74/94/08/940749408.db2.gz RYUOLLQEUUEHIG-VIFPVBQESA-N -1 1 418.327 4.068 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1C ZINC000546258215 940751060 /nfs/dbraw/zinc/75/10/60/940751060.db2.gz OEHYKHUISCLZPY-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4cc(C)ccn4)no3)c2)cc1 ZINC000546292521 940767127 /nfs/dbraw/zinc/76/71/27/940767127.db2.gz CUBDHRAINYTWJH-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(Cc4ccncc4)no3)ccc2C)c1 ZINC000546304073 940774095 /nfs/dbraw/zinc/77/40/95/940774095.db2.gz MFEPYQYSYLLPIB-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc([C@@H]3CCCO3)no2)c1 ZINC000546480158 940831509 /nfs/dbraw/zinc/83/15/09/940831509.db2.gz SUVLIPLVYJOGCV-INIZCTEOSA-N -1 1 405.863 4.042 20 0 HIADMM C[C@@H](c1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1)C1CC1 ZINC000546508286 940839242 /nfs/dbraw/zinc/83/92/42/940839242.db2.gz WNJYCLPURZIAOG-CYBMUJFWSA-N -1 1 401.463 4.114 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nc([C@H](C)C4CC4)no3)c2)cc1 ZINC000546521425 940842369 /nfs/dbraw/zinc/84/23/69/940842369.db2.gz JCJBYOONQWXNIP-CQSZACIVSA-N -1 1 413.499 4.450 20 0 HIADMM CCCCOc1ccccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000546892438 940903448 /nfs/dbraw/zinc/90/34/48/940903448.db2.gz YEWFUDWZUNNXIE-UHFFFAOYSA-N -1 1 411.239 4.428 20 0 HIADMM CCSCC[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546927065 940915571 /nfs/dbraw/zinc/91/55/71/940915571.db2.gz UOZKPSCOEVJSET-HNNXBMFYSA-N -1 1 407.561 4.141 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc(CC(F)(F)F)no1 ZINC000546978731 940934860 /nfs/dbraw/zinc/93/48/60/940934860.db2.gz IQKDMVGJKYWXJQ-UHFFFAOYSA-N -1 1 415.368 4.090 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(Cc2cccc3ccccc32)no1 ZINC000547020119 940960250 /nfs/dbraw/zinc/96/02/50/940960250.db2.gz OBQGVFDJYMPAHG-UHFFFAOYSA-N -1 1 423.476 4.465 20 0 HIADMM C[C@@H](c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1)c1ccncc1 ZINC000547214309 941034390 /nfs/dbraw/zinc/03/43/90/941034390.db2.gz ZGWWSDVBDOVURY-OAHLLOKOSA-N -1 1 406.467 4.084 20 0 HIADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)c(C)c2)cc1 ZINC000547257417 941045628 /nfs/dbraw/zinc/04/56/28/941045628.db2.gz VTLXCLNUUURSIC-UHFFFAOYSA-N -1 1 415.536 4.256 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc(Cl)c1[O-] ZINC000547287516 941052591 /nfs/dbraw/zinc/05/25/91/941052591.db2.gz ANXHPQOPFOTLOJ-UHFFFAOYSA-N -1 1 402.878 4.323 20 0 HIADMM CC1(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCCCC1 ZINC000547715537 941073184 /nfs/dbraw/zinc/07/31/84/941073184.db2.gz DRFKGAHZAIJIAF-UHFFFAOYSA-N -1 1 404.507 4.213 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2oc3c(c2C)c(C)ccc3C)n[n-]1 ZINC000548394816 941099693 /nfs/dbraw/zinc/09/96/93/941099693.db2.gz MFFMWPSCHBVTCX-HNNXBMFYSA-N -1 1 412.490 4.170 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2oc3c(c2C)c(C)ccc3C)[n-]1 ZINC000548394816 941099696 /nfs/dbraw/zinc/09/96/96/941099696.db2.gz MFFMWPSCHBVTCX-HNNXBMFYSA-N -1 1 412.490 4.170 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2oc3c(c2C)c(C)ccc3C)n1 ZINC000548394816 941099699 /nfs/dbraw/zinc/09/96/99/941099699.db2.gz MFFMWPSCHBVTCX-HNNXBMFYSA-N -1 1 412.490 4.170 20 0 HIADMM CN1Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)ccc2NC1=O ZINC000548477862 941107490 /nfs/dbraw/zinc/10/74/90/941107490.db2.gz OGRSOLSMJIDLON-UHFFFAOYSA-N -1 1 405.479 4.036 20 0 HIADMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(C)(F)F ZINC000548988072 941139046 /nfs/dbraw/zinc/13/90/46/941139046.db2.gz YXPQXGXPYWSTJJ-LLVKDONJSA-N -1 1 402.850 4.371 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2c(c1)CCCC2=O ZINC000549337922 941181110 /nfs/dbraw/zinc/18/11/10/941181110.db2.gz WWGRELLNVXZPQT-UHFFFAOYSA-N -1 1 420.490 4.259 20 0 HIADMM O=C(NCC1CC(c2ccccc2)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000549536126 941198503 /nfs/dbraw/zinc/19/85/03/941198503.db2.gz ISUUOZFRZRNYHK-UHFFFAOYSA-N -1 1 420.534 4.411 20 0 HIADMM O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1s[n-]c(=O)c1Cl ZINC000549754234 941206515 /nfs/dbraw/zinc/20/65/15/941206515.db2.gz BMWFKGJPSSXFGP-UHFFFAOYSA-N -1 1 402.838 4.361 20 0 HIADMM COc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000549811151 941208075 /nfs/dbraw/zinc/20/80/75/941208075.db2.gz WOIARHCIRUGZQJ-UHFFFAOYSA-N -1 1 411.483 4.448 20 0 HIADMM O=C(NCc1ccco1)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000549823532 941208589 /nfs/dbraw/zinc/20/85/89/941208589.db2.gz FSRYVRLUOAWWKO-UHFFFAOYSA-N -1 1 423.853 4.195 20 0 HIADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)N(Cc1ccco1)Cc1ccccc1 ZINC000551060813 941402809 /nfs/dbraw/zinc/40/28/09/941402809.db2.gz KSBMDBYIIVREHM-UHFFFAOYSA-N -1 1 423.416 4.115 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)cc1C(F)(F)F ZINC000551346126 941457921 /nfs/dbraw/zinc/45/79/21/941457921.db2.gz PTAMTUXGBJGRHJ-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM O=C(COc1ccsc1Cl)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000551633999 941515904 /nfs/dbraw/zinc/51/59/04/941515904.db2.gz POXLVUAQVHUFGF-UHFFFAOYSA-N -1 1 422.915 4.220 20 0 HIADMM Cc1nsc(NC2CC2)c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000551992633 941565432 /nfs/dbraw/zinc/56/54/32/941565432.db2.gz NSLPXZJSMCXYGK-UHFFFAOYSA-N -1 1 414.531 4.046 20 0 HIADMM O=C(Cc1ccc(-n2cccn2)cc1)Nc1c([O-])cc(Br)cc1Cl ZINC000552022228 941569928 /nfs/dbraw/zinc/56/99/28/941569928.db2.gz MFAUOUMQRJBBNN-UHFFFAOYSA-N -1 1 406.667 4.175 20 0 HIADMM CC(C)c1[nH]ccc1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000552094097 941584235 /nfs/dbraw/zinc/58/42/35/941584235.db2.gz MIRPLFBSQKIXOK-UHFFFAOYSA-N -1 1 415.490 4.008 20 0 HIADMM CC(=O)c1cccc(CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c1 ZINC000552192827 941598924 /nfs/dbraw/zinc/59/89/24/941598924.db2.gz HGRCICYQZMGYGG-UHFFFAOYSA-N -1 1 424.403 4.055 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000552196251 941599698 /nfs/dbraw/zinc/59/96/98/941599698.db2.gz PYEAHJGQDCLZPT-MRVPVSSYSA-N -1 1 415.637 4.021 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC(C)(C)C(C)(C)C)cc2)cc1 ZINC000552401780 941658027 /nfs/dbraw/zinc/65/80/27/941658027.db2.gz BGWRTKCZFLAZJT-UHFFFAOYSA-N -1 1 404.532 4.051 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc1 ZINC000552617056 941725059 /nfs/dbraw/zinc/72/50/59/941725059.db2.gz XFHXBWIVQKXAQR-UHFFFAOYSA-N -1 1 409.414 4.262 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)c(=O)[n-]1 ZINC000552725348 941746188 /nfs/dbraw/zinc/74/61/88/941746188.db2.gz MYEFDCNFWNHYMM-QGZVFWFLSA-N -1 1 407.967 4.355 20 0 HIADMM CC(C)Oc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000552740938 941749487 /nfs/dbraw/zinc/74/94/87/941749487.db2.gz PYPREJKSRADMJW-UHFFFAOYSA-N -1 1 409.407 4.053 20 0 HIADMM COc1cc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc(Cl)c1[O-] ZINC000552910330 941801660 /nfs/dbraw/zinc/80/16/60/941801660.db2.gz KTMZZIYNTQOQTF-UHFFFAOYSA-N -1 1 402.922 4.136 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000552988548 941812471 /nfs/dbraw/zinc/81/24/71/941812471.db2.gz ZLHLVSMSLMOCJA-AWEZNQCLSA-N -1 1 413.642 4.237 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000553028329 941820205 /nfs/dbraw/zinc/82/02/05/941820205.db2.gz HWISVWNDSVGCRC-KRWDZBQOSA-N -1 1 417.937 4.339 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000553181046 941845463 /nfs/dbraw/zinc/84/54/63/941845463.db2.gz RJVGOXQGEZIRRX-UHFFFAOYSA-N -1 1 418.412 4.127 20 0 HIADMM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(Br)c([O-])c1 ZINC000553435537 941884631 /nfs/dbraw/zinc/88/46/31/941884631.db2.gz FYNJJZKRZAFOKU-AWEZNQCLSA-N -1 1 419.102 4.315 20 0 HIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cc(Br)ccc1F ZINC000553838806 941981080 /nfs/dbraw/zinc/98/10/80/941981080.db2.gz SHTMHBVTGNVUNN-UHFFFAOYSA-N -1 1 417.275 4.128 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@@H]3C(F)F)c2)cc1 ZINC000554046900 942024995 /nfs/dbraw/zinc/02/49/95/942024995.db2.gz AIMBRGGXEZRNDW-OALUTQOASA-N -1 1 422.497 4.213 20 0 HIADMM Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000554100488 942036138 /nfs/dbraw/zinc/03/61/38/942036138.db2.gz PLGBBTARYNBXIS-UHFFFAOYSA-N -1 1 403.360 4.283 20 0 HIADMM CCc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)CC2 ZINC000554538339 942165211 /nfs/dbraw/zinc/16/52/11/942165211.db2.gz KDMIYRVJVVHHHF-UHFFFAOYSA-N -1 1 406.507 4.253 20 0 HIADMM O=C([O-])C[C@H](NCc1cnn(Cc2ccc(F)cc2)c1)c1cccc(C(F)(F)F)c1 ZINC000556322257 942840424 /nfs/dbraw/zinc/84/04/24/942840424.db2.gz ULWUFNMNJMKHPV-IBGZPJMESA-N -1 1 421.394 4.395 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c2ccccc2n1C ZINC000556351644 942848334 /nfs/dbraw/zinc/84/83/34/942848334.db2.gz FGZLTTKVKCCONF-UHFFFAOYSA-N -1 1 407.495 4.262 20 0 HIADMM COc1ccc(-c2ccn(-c3ccc(SCC(=O)c4ccc([O-])cc4)nn3)n2)cc1 ZINC000557658718 943250950 /nfs/dbraw/zinc/25/09/50/943250950.db2.gz LIHHZMODMVYDFH-UHFFFAOYSA-N -1 1 418.478 4.019 20 0 HIADMM CC[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000557877076 943318155 /nfs/dbraw/zinc/31/81/55/943318155.db2.gz LQSKENAWQDYXDH-IBGZPJMESA-N -1 1 410.905 4.406 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC3(F)CCC3)cc2)c1C ZINC000557972121 943343592 /nfs/dbraw/zinc/34/35/92/943343592.db2.gz TYONPGSGIWPSOF-UHFFFAOYSA-N -1 1 404.507 4.116 20 0 HIADMM O=C(Nc1cc(F)cc(F)c1F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000558232707 943448735 /nfs/dbraw/zinc/44/87/35/943448735.db2.gz VVAMJBRWBPQEJF-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000558326609 943509167 /nfs/dbraw/zinc/50/91/67/943509167.db2.gz SBUXELBFPWGIHF-SJAGGWKPSA-N -1 1 404.938 4.341 20 0 HIADMM CC(C)Oc1cc(F)ccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000558547222 943593817 /nfs/dbraw/zinc/59/38/17/943593817.db2.gz MWCHWTMGIZIBEI-UHFFFAOYSA-N -1 1 415.202 4.175 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(Br)c2Cl)c(=O)[n-]1 ZINC000558819227 943678126 /nfs/dbraw/zinc/67/81/26/943678126.db2.gz STUYBGYOAFAJMP-UHFFFAOYSA-N -1 1 416.728 4.200 20 0 HIADMM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000560503893 944238323 /nfs/dbraw/zinc/23/83/23/944238323.db2.gz LCQRCSDARFFADO-JTQLQIEISA-N -1 1 417.731 4.222 20 0 HIADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000560953905 944375199 /nfs/dbraw/zinc/37/51/99/944375199.db2.gz BYBHRNUECHQDLB-MRXNPFEDSA-N -1 1 422.497 4.433 20 0 HIADMM CCOC(=O)C(C)(C)C1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000561086696 944439257 /nfs/dbraw/zinc/43/92/57/944439257.db2.gz XGJIXAXKXOPDCN-UHFFFAOYSA-N -1 1 404.894 4.035 20 0 HIADMM CC[C@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000561483357 944625432 /nfs/dbraw/zinc/62/54/32/944625432.db2.gz FMSAOBQVHNILGE-NSHDSACASA-N -1 1 416.877 4.081 20 0 HIADMM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc2)CC1 ZINC000561686543 944746754 /nfs/dbraw/zinc/74/67/54/944746754.db2.gz GDGPRXDEBRKSFB-UHFFFAOYSA-N -1 1 408.470 4.297 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000562052380 944913745 /nfs/dbraw/zinc/91/37/45/944913745.db2.gz KPMUEDBIWRSQPU-HNNXBMFYSA-N -1 1 411.804 4.207 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C)(C3CC3)CC2)cc1 ZINC000562182746 945006113 /nfs/dbraw/zinc/00/61/13/945006113.db2.gz QTRJTQQUNQNBSM-UHFFFAOYSA-N -1 1 412.555 4.448 20 0 HIADMM Cc1cccc(Oc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)cc2)c1 ZINC000564379450 945542492 /nfs/dbraw/zinc/54/24/92/945542492.db2.gz LVLPRQZKVZCLGP-UHFFFAOYSA-N -1 1 402.410 4.097 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c1 ZINC000564549711 945670909 /nfs/dbraw/zinc/67/09/09/945670909.db2.gz MPBPFOCDUSNWBD-UHFFFAOYSA-N -1 1 403.891 4.053 20 0 HIADMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000564804975 945760952 /nfs/dbraw/zinc/76/09/52/945760952.db2.gz UXOIBUMWLHIWFB-UHFFFAOYSA-N -1 1 402.903 4.386 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3[C@H](C)CC[C@H]3CC)c2)cc1 ZINC000567098528 946243312 /nfs/dbraw/zinc/24/33/12/946243312.db2.gz NVKHHTMTIKYKMG-VQIMIIECSA-N -1 1 416.543 4.289 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3[C@@H](C)CC[C@@H]3CC)c2)cc1 ZINC000567098526 946243442 /nfs/dbraw/zinc/24/34/42/946243442.db2.gz NVKHHTMTIKYKMG-LPHOPBHVSA-N -1 1 416.543 4.289 20 0 HIADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Nc2ccc(F)cc2)c1 ZINC000567511267 946354930 /nfs/dbraw/zinc/35/49/30/946354930.db2.gz MDKATWWQFCDRPZ-UHFFFAOYSA-N -1 1 419.865 4.122 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc3nc(C(F)F)sc3c2)c1 ZINC000568861527 946726457 /nfs/dbraw/zinc/72/64/57/946726457.db2.gz MXOPVNBYVPUTAY-UHFFFAOYSA-N -1 1 411.455 4.166 20 0 HIADMM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000569097493 946816329 /nfs/dbraw/zinc/81/63/29/946816329.db2.gz NSDYDLPDKTWNRJ-UHFFFAOYSA-N -1 1 411.257 4.462 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnn(C(C)C)c3)cc2)c1C ZINC000569386639 946863397 /nfs/dbraw/zinc/86/33/97/946863397.db2.gz JMUMDQTZLAUOMK-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1C ZINC000569656644 946929947 /nfs/dbraw/zinc/92/99/47/946929947.db2.gz NHNJWUCVXNNOAA-UHFFFAOYSA-N -1 1 403.884 4.097 20 0 HIADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)CCC4)cc2nc1C(C)(C)C ZINC000570372674 947225544 /nfs/dbraw/zinc/22/55/44/947225544.db2.gz XAPAKSKEHGLTJV-UHFFFAOYSA-N -1 1 411.527 4.191 20 0 HIADMM Cc1onc(-c2cccc(Cl)c2)c1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000571435694 947646795 /nfs/dbraw/zinc/64/67/95/947646795.db2.gz UVFRVQFXLZEXDK-UHFFFAOYSA-N -1 1 404.879 4.301 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)CC1(C)CCCC1 ZINC000572038439 947831274 /nfs/dbraw/zinc/83/12/74/947831274.db2.gz QQDSPEOQDLMJAZ-UHFFFAOYSA-N -1 1 400.544 4.416 20 0 HIADMM C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000572351468 947889072 /nfs/dbraw/zinc/88/90/72/947889072.db2.gz ZFMXRHJHFNXHSG-SNVBAGLBSA-N -1 1 408.289 4.413 20 0 HIADMM CC(=O)Nc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)ccc1F ZINC000572709585 947992239 /nfs/dbraw/zinc/99/22/39/947992239.db2.gz IOEJTVOLKPWAEC-UHFFFAOYSA-N -1 1 401.619 4.158 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2)c1 ZINC000573594578 948244566 /nfs/dbraw/zinc/24/45/66/948244566.db2.gz DTQVDHQUSQVRBH-UHFFFAOYSA-N -1 1 401.315 4.195 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)C3CCCCC3)cc2)cc1 ZINC000573889829 948323231 /nfs/dbraw/zinc/32/32/31/948323231.db2.gz PYBTVKZARPMNMK-INIZCTEOSA-N -1 1 416.543 4.195 20 0 HIADMM COc1cc(NC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000573907906 948325052 /nfs/dbraw/zinc/32/50/52/948325052.db2.gz AXLRHXZQBUSALH-HNAYVOBHSA-N -1 1 417.531 4.072 20 0 HIADMM CCOC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000575411171 948664340 /nfs/dbraw/zinc/66/43/40/948664340.db2.gz CDHFQDUGQFSBDF-UHFFFAOYSA-N -1 1 412.305 4.043 20 0 HIADMM CC(C)[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccnc1 ZINC000436077423 861357243 /nfs/dbraw/zinc/35/72/43/861357243.db2.gz UXTUPQMBGNQMSQ-NRFANRHFSA-N -1 1 409.511 4.261 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)cc1Br ZINC000436159050 861460212 /nfs/dbraw/zinc/46/02/12/861460212.db2.gz XYBMJYXCZBXMEX-UHFFFAOYSA-N -1 1 423.332 4.394 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1nc(C2CCCCC2)no1 ZINC000436165534 861466199 /nfs/dbraw/zinc/46/61/99/861466199.db2.gz YCUBUDWBCVHUIE-JTQLQIEISA-N -1 1 421.416 4.315 20 0 HIADMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000436183886 861486558 /nfs/dbraw/zinc/48/65/58/861486558.db2.gz JNZVEBIVRXWMSH-ZDUSSCGKSA-N -1 1 415.433 4.154 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000436204540 861505368 /nfs/dbraw/zinc/50/53/68/861505368.db2.gz ASSRZDWNPFHZAZ-FQEVSTJZSA-N -1 1 405.523 4.011 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)cc1 ZINC000003569794 845041067 /nfs/dbraw/zinc/04/10/67/845041067.db2.gz IOVAWXRAEPFQSJ-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2cn3cccnc3n2)c1)c1ccc2ccccc2c1 ZINC000005234722 845093821 /nfs/dbraw/zinc/09/38/21/845093821.db2.gz LNWIRPYKWQINAV-UHFFFAOYSA-N -1 1 400.463 4.350 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000007054050 845243205 /nfs/dbraw/zinc/24/32/05/845243205.db2.gz VTTBTKZEXVSXQN-UHFFFAOYSA-N -1 1 401.315 4.276 20 0 HIADMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCCOc1ccc(F)cc1 ZINC000007154837 845265346 /nfs/dbraw/zinc/26/53/46/845265346.db2.gz JUZXGMCZKWJEMO-PDGQHHTCSA-N -1 1 403.431 4.006 20 0 HIADMM O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1ccc([O-])cc1 ZINC000007190162 845277100 /nfs/dbraw/zinc/27/71/00/845277100.db2.gz AUMMLLZWXPAHCO-UHFFFAOYSA-N -1 1 414.918 4.202 20 0 HIADMM C=C(C)CNC(=S)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000007517301 845351532 /nfs/dbraw/zinc/35/15/32/845351532.db2.gz VPQAMXLLYMONCE-UHFFFAOYSA-N -1 1 409.964 4.312 20 0 HIADMM O=c1cc(C2CC2)nc(SCc2noc(Cc3ccc(Br)cc3)n2)[n-]1 ZINC000436249819 861560402 /nfs/dbraw/zinc/56/04/02/861560402.db2.gz DYKVOBLIHGDXLD-UHFFFAOYSA-N -1 1 419.304 4.088 20 0 HIADMM Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000007977154 845457148 /nfs/dbraw/zinc/45/71/48/845457148.db2.gz LGMPSRPQSNKYGS-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000008113233 845477036 /nfs/dbraw/zinc/47/70/36/845477036.db2.gz ZHAZMSUBOUOPTM-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000008287792 845506724 /nfs/dbraw/zinc/50/67/24/845506724.db2.gz AYBQBEPGEXFHEY-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccncc1 ZINC000008835897 845551874 /nfs/dbraw/zinc/55/18/74/845551874.db2.gz RLUVVKVAIZGQPN-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM Cn1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccccc21 ZINC000009904375 845602206 /nfs/dbraw/zinc/60/22/06/845602206.db2.gz SUDJLWRCJFFHTN-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000009903913 845602421 /nfs/dbraw/zinc/60/24/21/845602421.db2.gz PPFCTSLCFPGRFT-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM Cc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)s1 ZINC000010556654 845674376 /nfs/dbraw/zinc/67/43/76/845674376.db2.gz UEQRDFNGKVJZAI-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1csc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)n1 ZINC000010555129 845674672 /nfs/dbraw/zinc/67/46/72/845674672.db2.gz IZEJTDGDVQOBHV-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCn1c2ccccc2nc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010652157 845686786 /nfs/dbraw/zinc/68/67/86/845686786.db2.gz YZORXQZWHGBHKS-UHFFFAOYSA-N -1 1 420.494 4.109 20 0 HIADMM Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)ccc2[nH]1 ZINC000010657132 845688603 /nfs/dbraw/zinc/68/86/03/845688603.db2.gz LLFIYMMMGYFXSA-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@@H]3CC3(Cl)Cl)c2)c1 ZINC000011337593 845781561 /nfs/dbraw/zinc/78/15/61/845781561.db2.gz VMYKJSXGYQSPSY-AWEZNQCLSA-N -1 1 414.310 4.146 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3(c4ccccc4)CC3)c2)c1 ZINC000011750404 845829999 /nfs/dbraw/zinc/82/99/99/845829999.db2.gz XUGZJEFLIRHONP-UHFFFAOYSA-N -1 1 420.534 4.257 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3sccc3C2)cc1 ZINC000012216123 845861000 /nfs/dbraw/zinc/86/10/00/845861000.db2.gz CNJFDWIDRIXCFO-UHFFFAOYSA-N -1 1 414.556 4.043 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(OC)c2)cc1 ZINC000012651462 845882158 /nfs/dbraw/zinc/88/21/58/845882158.db2.gz AASLJZTYPJLIJU-HNNXBMFYSA-N -1 1 402.516 4.136 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1Cl ZINC000012737599 845887880 /nfs/dbraw/zinc/88/78/80/845887880.db2.gz DXYZSMXLEQFMKJ-UHFFFAOYSA-N -1 1 415.906 4.167 20 0 HIADMM O=C(NCc1ccco1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000015269797 846026715 /nfs/dbraw/zinc/02/67/15/846026715.db2.gz ZCHOBHOANQHIQQ-UHFFFAOYSA-N -1 1 424.400 4.029 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000015340008 846036741 /nfs/dbraw/zinc/03/67/41/846036741.db2.gz FQUZXLFOHPOMKF-QGZVFWFLSA-N -1 1 424.522 4.377 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 ZINC000015349183 846037673 /nfs/dbraw/zinc/03/76/73/846037673.db2.gz RJFHHPUTABUWQV-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000015539684 846060528 /nfs/dbraw/zinc/06/05/28/846060528.db2.gz LKTBZWFBCOUHFQ-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM O=C(Nc1ccc(F)c(F)c1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000015588786 846068164 /nfs/dbraw/zinc/06/81/64/846068164.db2.gz ILARUBUXUGLLPH-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1F ZINC000015588548 846068238 /nfs/dbraw/zinc/06/82/38/846068238.db2.gz JBJWMMLNLUHLFW-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC000015593230 846069203 /nfs/dbraw/zinc/06/92/03/846069203.db2.gz ROGGTNPWWRLKQY-UHFFFAOYSA-N -1 1 400.544 4.457 20 0 HIADMM CCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000015705261 846085287 /nfs/dbraw/zinc/08/52/87/846085287.db2.gz YBGSRJPEMIOGQE-UHFFFAOYSA-N -1 1 400.472 4.459 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1ccco1 ZINC000015891918 846101922 /nfs/dbraw/zinc/10/19/22/846101922.db2.gz UWZUUCUBKLZEQR-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2C)c1 ZINC000015950440 846104354 /nfs/dbraw/zinc/10/43/54/846104354.db2.gz OSFYSODAKTZABB-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM Cc1ccccc1-n1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1cccnc1 ZINC000016072173 846120086 /nfs/dbraw/zinc/12/00/86/846120086.db2.gz YPCBYVHPCGFYDM-UHFFFAOYSA-N -1 1 402.479 4.318 20 0 HIADMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000016147223 846130557 /nfs/dbraw/zinc/13/05/57/846130557.db2.gz IMKAOQLHRQGZTJ-UHFFFAOYSA-N -1 1 422.506 4.237 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cc(F)cc(F)c1 ZINC000016305214 846150596 /nfs/dbraw/zinc/15/05/96/846150596.db2.gz QJYNDTUUMNIXJD-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)cc1 ZINC000016305213 846150719 /nfs/dbraw/zinc/15/07/19/846150719.db2.gz VAOMEESZLWKWCI-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM COc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 ZINC000016505884 846179658 /nfs/dbraw/zinc/17/96/58/846179658.db2.gz LWEIYPVASHCODI-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1cc(CSc2ccccc2C(=O)OCc2cc(=O)oc3cc([O-])ccc23)on1 ZINC000016542552 846181718 /nfs/dbraw/zinc/18/17/18/846181718.db2.gz PQMRUCKGXLXVSO-UHFFFAOYSA-N -1 1 423.446 4.444 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)cc1 ZINC000436341915 861653888 /nfs/dbraw/zinc/65/38/88/861653888.db2.gz HJXPIBJLNHQPQU-SJORKVTESA-N -1 1 416.543 4.147 20 0 HIADMM CCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000016601578 846189759 /nfs/dbraw/zinc/18/97/59/846189759.db2.gz YZVUOMUMBSBGAW-CYBMUJFWSA-N -1 1 414.449 4.425 20 0 HIADMM COc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)c1 ZINC000016600672 846189848 /nfs/dbraw/zinc/18/98/48/846189848.db2.gz IRZYWFRJHVAGRH-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)CC[C@H]3C)cc2)ccc1F ZINC000436340015 861649661 /nfs/dbraw/zinc/64/96/61/861649661.db2.gz UFDYQUHXXKWREN-GOEBONIOSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)cc2)ccc1F ZINC000436340018 861649763 /nfs/dbraw/zinc/64/97/63/861649763.db2.gz UFDYQUHXXKWREN-HOCLYGCPSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3F)cc2)cc1C ZINC000017064351 846228398 /nfs/dbraw/zinc/22/83/98/846228398.db2.gz FZFAQOXCGUMZEW-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCCc3ccccc3)c2)c1 ZINC000017298435 846241823 /nfs/dbraw/zinc/24/18/23/846241823.db2.gz KGKOOQTYDVTRCP-UHFFFAOYSA-N -1 1 422.550 4.467 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC000017298528 846242003 /nfs/dbraw/zinc/24/20/03/846242003.db2.gz GWHKLBRPUPKKGK-UHFFFAOYSA-N -1 1 408.523 4.158 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)c1 ZINC000017304556 846242459 /nfs/dbraw/zinc/24/24/59/846242459.db2.gz SBPZCJPOTMVJBM-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)c1C ZINC000017357598 846249582 /nfs/dbraw/zinc/24/95/82/846249582.db2.gz CNKQBEJCBJEVCI-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM CCCCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000017442072 846252752 /nfs/dbraw/zinc/25/27/52/846252752.db2.gz SOQLJKJSJJOSSC-UHFFFAOYSA-N -1 1 418.559 4.041 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)CCc3ccco3)c2)cc1 ZINC000017798163 846269594 /nfs/dbraw/zinc/26/95/94/846269594.db2.gz NNAGVIITKTZKLL-QGZVFWFLSA-N -1 1 412.511 4.140 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)o1 ZINC000017957468 846279506 /nfs/dbraw/zinc/27/95/06/846279506.db2.gz ALKRCEMVCVOPHN-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM Cc1c2cc(F)ccc2oc1C(=O)[N-]NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000018052421 846289606 /nfs/dbraw/zinc/28/96/06/846289606.db2.gz AHAKIANIXGMQJS-AWEZNQCLSA-N -1 1 406.413 4.262 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000018084064 846292654 /nfs/dbraw/zinc/29/26/54/846292654.db2.gz BIXDZGDADSKGHZ-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM Cc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000018081531 846293303 /nfs/dbraw/zinc/29/33/03/846293303.db2.gz QSZIMWOPLNOVOD-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3C)c2)cc1 ZINC000018833767 846343769 /nfs/dbraw/zinc/34/37/69/846343769.db2.gz CXBXKJROIXVQNF-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM O=C([N-]NC(=O)c1ccc(COc2ccccc2)o1)c1ccc(-c2ccccc2F)o1 ZINC000019617453 846369199 /nfs/dbraw/zinc/36/91/99/846369199.db2.gz IMFQCTLMSPHSRX-UHFFFAOYSA-N -1 1 420.396 4.333 20 0 HIADMM O=C(Nc1cccc2cnccc21)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000021218693 846418835 /nfs/dbraw/zinc/41/88/35/846418835.db2.gz OOBWWBLKEBPUDL-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000021864085 846504378 /nfs/dbraw/zinc/50/43/78/846504378.db2.gz NXDICPKRAQFVEB-OAHLLOKOSA-N -1 1 424.309 4.441 20 0 HIADMM COc1cccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1OC ZINC000021946891 846513642 /nfs/dbraw/zinc/51/36/42/846513642.db2.gz NWLMTMYIGFQWNA-UHFFFAOYSA-N -1 1 422.462 4.026 20 0 HIADMM O=C(Nc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1)c1cccs1 ZINC000022219688 846546833 /nfs/dbraw/zinc/54/68/33/846546833.db2.gz NXDJXMYPPUCDHX-UHFFFAOYSA-N -1 1 421.430 4.169 20 0 HIADMM CN(Cc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000022405031 846566087 /nfs/dbraw/zinc/56/60/87/846566087.db2.gz OHUMXUYCFMUURC-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 ZINC000024043697 846780119 /nfs/dbraw/zinc/78/01/19/846780119.db2.gz UMPYUEQRHYAZMJ-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2nc3ccccc3s2)cc1 ZINC000024588723 846842757 /nfs/dbraw/zinc/84/27/57/846842757.db2.gz ICSCWLYZGQMOGW-UHFFFAOYSA-N -1 1 409.540 4.232 20 0 HIADMM COc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000024813160 846871408 /nfs/dbraw/zinc/87/14/08/846871408.db2.gz LLQYKGAQHTWWAA-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000025243023 846946684 /nfs/dbraw/zinc/94/66/84/846946684.db2.gz VWZDZWFDCPNELE-QFIPXVFZSA-N -1 1 420.534 4.335 20 0 HIADMM O=C(NCc1nc2ccccc2s1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025521600 846991317 /nfs/dbraw/zinc/99/13/17/846991317.db2.gz LEWHOJXRSJPGBW-UHFFFAOYSA-N -1 1 423.519 4.027 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000025562219 847002843 /nfs/dbraw/zinc/00/28/43/847002843.db2.gz INOVJPQUXKLBCH-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM Cc1ccsc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000025718588 847026364 /nfs/dbraw/zinc/02/63/64/847026364.db2.gz KYJDBNXOBWGWPB-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)c2nc3cccc(Cl)c3s2)c(=O)[n-]1 ZINC000436403761 861749827 /nfs/dbraw/zinc/74/98/27/861749827.db2.gz BWWDSKQMGLKHIR-UHFFFAOYSA-N -1 1 408.936 4.071 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000025997736 847069402 /nfs/dbraw/zinc/06/94/02/847069402.db2.gz LRLBNBHXDGPLJQ-UHFFFAOYSA-N -1 1 422.478 4.066 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000025997796 847070609 /nfs/dbraw/zinc/07/06/09/847070609.db2.gz SMRUKCQOFSGVGD-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)CSc3ccccc3C)n2)n[n-]c1=S ZINC000026042556 847076273 /nfs/dbraw/zinc/07/62/73/847076273.db2.gz IBKQOODUXYJMGZ-UHFFFAOYSA-N -1 1 417.585 4.213 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3cc4cc(C)ccc4[nH]3)n2)n[n-]c1=S ZINC000026095619 847082769 /nfs/dbraw/zinc/08/27/69/847082769.db2.gz PSOBIICWXQMKKX-UHFFFAOYSA-N -1 1 410.528 4.216 20 0 HIADMM Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4n[n-]c(C(F)(F)F)n4)cc3)o2)c1 ZINC000026251954 847112390 /nfs/dbraw/zinc/11/23/90/847112390.db2.gz GNVWRGAUYZQRQV-UHFFFAOYSA-N -1 1 414.347 4.101 20 0 HIADMM O=S(=O)([N-]Cc1ccc(Br)s1)c1cc(Cl)sc1Cl ZINC000026822302 847203182 /nfs/dbraw/zinc/20/31/82/847203182.db2.gz VDUHMQAZAPINBK-UHFFFAOYSA-N -1 1 407.163 4.357 20 0 HIADMM CCCc1nnc([N-]C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)s1 ZINC000026838461 847207191 /nfs/dbraw/zinc/20/71/91/847207191.db2.gz DUBRNCOBMKQWSQ-UHFFFAOYSA-N -1 1 414.491 4.191 20 0 HIADMM CC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000026998419 847232715 /nfs/dbraw/zinc/23/27/15/847232715.db2.gz GZVJGYULYNRXCZ-SFHVURJKSA-N -1 1 404.507 4.340 20 0 HIADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000027707494 847343628 /nfs/dbraw/zinc/34/36/28/847343628.db2.gz KNQNEUXBXQXHAW-IIBYNOLFSA-N -1 1 416.543 4.195 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000028494800 847427664 /nfs/dbraw/zinc/42/76/64/847427664.db2.gz KQIRIUGOSSSHKN-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CCCN(CC1CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000028494764 847427995 /nfs/dbraw/zinc/42/79/95/847427995.db2.gz SJANSKQJGVWDLW-UHFFFAOYSA-N -1 1 406.935 4.403 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000028494886 847428715 /nfs/dbraw/zinc/42/87/15/847428715.db2.gz KGEXRDSGCGBHMG-UHFFFAOYSA-N -1 1 406.935 4.403 20 0 HIADMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccccn1 ZINC000028783053 847460543 /nfs/dbraw/zinc/46/05/43/847460543.db2.gz QHXSYECENWOVEL-CQSZACIVSA-N -1 1 415.902 4.027 20 0 HIADMM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1cc(-c2cccs2)on1 ZINC000028906450 847475145 /nfs/dbraw/zinc/47/51/45/847475145.db2.gz IFSIYUXQWKQITQ-UHFFFAOYSA-N -1 1 416.260 4.203 20 0 HIADMM CCCCOCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000029069101 847499907 /nfs/dbraw/zinc/49/99/07/847499907.db2.gz AJNNVDJJOUGDIV-UHFFFAOYSA-N -1 1 418.559 4.041 20 0 HIADMM O=C(NC[C@@H]1CCCc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000029108020 847506941 /nfs/dbraw/zinc/50/69/41/847506941.db2.gz FRWLLCQYWQZRQL-FQEVSTJZSA-N -1 1 420.534 4.337 20 0 HIADMM O=C(NC[C@H]1CCCc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000029108032 847507348 /nfs/dbraw/zinc/50/73/48/847507348.db2.gz FXJBWRFXYUJEHQ-HXUWFJFHSA-N -1 1 420.534 4.337 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c[nH]nc4c3)c2)cc1F ZINC000029373127 847554203 /nfs/dbraw/zinc/55/42/03/847554203.db2.gz ZIKRFFKUUOSHIV-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000029380279 847555448 /nfs/dbraw/zinc/55/54/48/847555448.db2.gz ACBYGGAHIXBQQM-UHFFFAOYSA-N -1 1 421.526 4.072 20 0 HIADMM O=C(NC(C1CC1)C1CC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000029383671 847556354 /nfs/dbraw/zinc/55/63/54/847556354.db2.gz ZEDSRDYNZZASGZ-UHFFFAOYSA-N -1 1 404.919 4.059 20 0 HIADMM Cc1nc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)sc1C ZINC000029579683 847583397 /nfs/dbraw/zinc/58/33/97/847583397.db2.gz XHHKOSZUUUFKRN-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCC[C@@H](C)C3)c2)c1 ZINC000029997860 847667278 /nfs/dbraw/zinc/66/72/78/847667278.db2.gz RWDYRHHAJBJFSZ-XLIONFOSSA-N -1 1 400.544 4.447 20 0 HIADMM C[C@@H]1CCC[C@@H](N(C)C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000030001007 847667515 /nfs/dbraw/zinc/66/75/15/847667515.db2.gz HBZFDEKHRBVZJA-OXQOHEQNSA-N -1 1 418.534 4.206 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3c4ccccc4C[C@H]3C)c2)c1 ZINC000030011807 847670549 /nfs/dbraw/zinc/67/05/49/847670549.db2.gz UHSUYPPCRCESSI-QGZVFWFLSA-N -1 1 406.507 4.387 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCn4cccc4[C@@H]3C)cc2)c1C ZINC000030266266 847693799 /nfs/dbraw/zinc/69/37/99/847693799.db2.gz BZBIQZMLZRWCSO-SFHVURJKSA-N -1 1 423.538 4.123 20 0 HIADMM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000436475932 861819252 /nfs/dbraw/zinc/81/92/52/861819252.db2.gz HSHNUTCLGBCWFQ-UHFFFAOYSA-N -1 1 420.775 4.084 20 0 HIADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000030381655 847708339 /nfs/dbraw/zinc/70/83/39/847708339.db2.gz BDYHQVISQOWRQJ-MGPUTAFESA-N -1 1 404.507 4.277 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCCC[C@H]3C)c2)cc1 ZINC000030382190 847709672 /nfs/dbraw/zinc/70/96/72/847709672.db2.gz FXDAOZCTQQBPMI-IIBYNOLFSA-N -1 1 416.543 4.147 20 0 HIADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000030382002 847709914 /nfs/dbraw/zinc/70/99/14/847709914.db2.gz XNKYBIHHDYMLSI-XOBRGWDASA-N -1 1 422.497 4.416 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000436486126 861821081 /nfs/dbraw/zinc/82/10/81/861821081.db2.gz IWVLURMFRBIUIS-UHFFFAOYSA-N -1 1 402.281 4.210 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c2)cc1 ZINC000030424721 847715048 /nfs/dbraw/zinc/71/50/48/847715048.db2.gz FNPYUOGHTMAKJM-HNNXBMFYSA-N -1 1 404.532 4.003 20 0 HIADMM O=S(=O)([N-]Cc1cccnc1OC1CCCC1)c1cc(Cl)sc1Cl ZINC000030433575 847716217 /nfs/dbraw/zinc/71/62/17/847716217.db2.gz ZICUECYZJKQZHQ-UHFFFAOYSA-N -1 1 407.344 4.250 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)o1 ZINC000030713713 847764196 /nfs/dbraw/zinc/76/41/96/847764196.db2.gz SUXNPEPFYJIVHF-UHFFFAOYSA-N -1 1 419.503 4.047 20 0 HIADMM O=C(Nc1ccc(C(=O)NCC2CCC(F)(F)CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436509680 861830308 /nfs/dbraw/zinc/83/03/08/861830308.db2.gz FPKOVJRYQQAPIQ-UHFFFAOYSA-N -1 1 424.394 4.478 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000436516094 861832033 /nfs/dbraw/zinc/83/20/33/861832033.db2.gz UHRJLKWOEBKQIH-UHFFFAOYSA-N -1 1 400.818 4.059 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000031136345 847828139 /nfs/dbraw/zinc/82/81/39/847828139.db2.gz NKDDYWVGHKLVDX-UHFFFAOYSA-N -1 1 421.526 4.293 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000031265748 847853903 /nfs/dbraw/zinc/85/39/03/847853903.db2.gz JECDRJCGEVJIAC-IBGZPJMESA-N -1 1 424.526 4.113 20 0 HIADMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436530403 861836960 /nfs/dbraw/zinc/83/69/60/861836960.db2.gz QPJMODDLUHLLSU-FQEVSTJZSA-N -1 1 404.466 4.106 20 0 HIADMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436530418 861837259 /nfs/dbraw/zinc/83/72/59/861837259.db2.gz QPJMODDLUHLLSU-HXUWFJFHSA-N -1 1 404.466 4.106 20 0 HIADMM CC(=O)Nc1cccc([C@@H](C)NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)c1 ZINC000031308229 847861003 /nfs/dbraw/zinc/86/10/03/847861003.db2.gz VSLMWQJBNZIXRI-OAHLLOKOSA-N -1 1 423.542 4.142 20 0 HIADMM C[C@H]1CCCC[C@H]1N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000031384016 847872579 /nfs/dbraw/zinc/87/25/79/847872579.db2.gz OGDRVABTLLAFFO-HRAATJIYSA-N -1 1 418.534 4.206 20 0 HIADMM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436536349 861839967 /nfs/dbraw/zinc/83/99/67/861839967.db2.gz PVXCKWYGGUIGGD-UHFFFAOYSA-N -1 1 404.894 4.244 20 0 HIADMM C[C@H](c1cccnc1)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436536691 861841056 /nfs/dbraw/zinc/84/10/56/861841056.db2.gz BOYFQRLXWQMKQB-CYBMUJFWSA-N -1 1 411.408 4.151 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N(CCc1ccccc1)Cc1cccnc1 ZINC000436537888 861841564 /nfs/dbraw/zinc/84/15/64/861841564.db2.gz GPLXOSQXVMOKDU-UHFFFAOYSA-N -1 1 411.299 4.435 20 0 HIADMM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436537347 861841617 /nfs/dbraw/zinc/84/16/17/861841617.db2.gz FBJCBDZMACGUHR-MRXNPFEDSA-N -1 1 400.276 4.019 20 0 HIADMM O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436543093 861843418 /nfs/dbraw/zinc/84/34/18/861843418.db2.gz GDSMPLIWNVOKRA-MRXNPFEDSA-N -1 1 411.260 4.472 20 0 HIADMM Cc1nc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])sc1C ZINC000436544754 861844603 /nfs/dbraw/zinc/84/46/03/861844603.db2.gz KMHBPAUAHIOQOI-UHFFFAOYSA-N -1 1 403.410 4.248 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)C1 ZINC000031682124 847928489 /nfs/dbraw/zinc/92/84/89/847928489.db2.gz IDWOQAAYGBWINH-GOSISDBHSA-N -1 1 400.544 4.366 20 0 HIADMM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cc1OC ZINC000031721578 847938143 /nfs/dbraw/zinc/93/81/43/847938143.db2.gz QRWTZTNARCFYBO-UHFFFAOYSA-N -1 1 405.422 4.450 20 0 HIADMM C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)n1nnc(-c2cccc(F)c2)n1 ZINC000031734360 847940215 /nfs/dbraw/zinc/94/02/15/847940215.db2.gz YNVBPHOEDJCOES-GFCCVEGCSA-N -1 1 418.457 4.054 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)n1 ZINC000031776713 847946686 /nfs/dbraw/zinc/94/66/86/847946686.db2.gz DJPDCBIVXNLOEI-UHFFFAOYSA-N -1 1 404.289 4.015 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3CCCC3)cc2)cc1 ZINC000031931744 847966452 /nfs/dbraw/zinc/96/64/52/847966452.db2.gz PFUURLGJOBIYPG-UHFFFAOYSA-N -1 1 414.527 4.000 20 0 HIADMM CCCN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])C1CC1 ZINC000436567554 861855298 /nfs/dbraw/zinc/85/52/98/861855298.db2.gz ONGUWJXUBYZANZ-UHFFFAOYSA-N -1 1 417.303 4.422 20 0 HIADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)c1C ZINC000032098187 847987895 /nfs/dbraw/zinc/98/78/95/847987895.db2.gz LZIIXKABBHTAQU-UHFFFAOYSA-N -1 1 424.478 4.055 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C)c3cccc(C)c3)c([O-])c2)c1 ZINC000436566651 861854271 /nfs/dbraw/zinc/85/42/71/861854271.db2.gz XCEAFXNAMHKVTP-UHFFFAOYSA-N -1 1 420.465 4.247 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 ZINC000032369584 848013982 /nfs/dbraw/zinc/01/39/82/848013982.db2.gz JRSVGBPRZPDQHK-UHFFFAOYSA-N -1 1 416.449 4.432 20 0 HIADMM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000436579642 861858357 /nfs/dbraw/zinc/85/83/57/861858357.db2.gz ZXBQMLLUDNOPSL-QGZVFWFLSA-N -1 1 422.447 4.199 20 0 HIADMM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436579178 861858538 /nfs/dbraw/zinc/85/85/38/861858538.db2.gz CJGKUJYNVUHYIF-OAHLLOKOSA-N -1 1 412.511 4.016 20 0 HIADMM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1c(F)cccc1F ZINC000436581120 861858796 /nfs/dbraw/zinc/85/87/96/861858796.db2.gz IPUIRRRLMSZPMA-VBKZILBWSA-N -1 1 424.447 4.306 20 0 HIADMM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000032589492 848049946 /nfs/dbraw/zinc/04/99/46/848049946.db2.gz YDYITPSSIHVHTP-UHFFFAOYSA-N -1 1 414.487 4.059 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)c2ccccc12 ZINC000032596130 848052108 /nfs/dbraw/zinc/05/21/08/848052108.db2.gz GWKJDHVDJRLNCX-UHFFFAOYSA-N -1 1 422.510 4.223 20 0 HIADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1ccc(F)c2ncccc12 ZINC000032600209 848052195 /nfs/dbraw/zinc/05/21/95/848052195.db2.gz XNZOIFJONJOLRI-UHFFFAOYSA-N -1 1 400.353 4.116 20 0 HIADMM CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436582071 861859652 /nfs/dbraw/zinc/85/96/52/861859652.db2.gz CMGHURDFNXCUSA-UHFFFAOYSA-N -1 1 415.442 4.370 20 0 HIADMM CC1CCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])CC1 ZINC000032743840 848070638 /nfs/dbraw/zinc/07/06/38/848070638.db2.gz PAKFPOOPIKJTPY-UHFFFAOYSA-N -1 1 417.303 4.279 20 0 HIADMM COc1ccc(F)cc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436615022 861871066 /nfs/dbraw/zinc/87/10/66/861871066.db2.gz CCNGQJNHXQHSND-UHFFFAOYSA-N -1 1 416.355 4.323 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000033181640 848120965 /nfs/dbraw/zinc/12/09/65/848120965.db2.gz FEMWYCPXEAYNFQ-KSSFIOAISA-N -1 1 404.507 4.243 20 0 HIADMM CC1(C2CC2)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436612155 861869227 /nfs/dbraw/zinc/86/92/27/861869227.db2.gz WQUZOQUKQFAKEZ-NRFANRHFSA-N -1 1 406.526 4.189 20 0 HIADMM COCC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436623042 861873231 /nfs/dbraw/zinc/87/32/31/861873231.db2.gz HHHNWWRSBASSAI-NSHDSACASA-N -1 1 411.285 4.106 20 0 HIADMM C=Cc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436638604 861878250 /nfs/dbraw/zinc/87/82/50/861878250.db2.gz GFSMWHSSGJGXLI-QHCPKHFHSA-N -1 1 414.505 4.152 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccncc1C(F)(F)F ZINC000436642167 861879051 /nfs/dbraw/zinc/87/90/51/861879051.db2.gz RANBZWYSEMTLFA-UHFFFAOYSA-N -1 1 407.392 4.121 20 0 HIADMM COc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1OCc1ccc2ccccc2n1 ZINC000436645744 861879872 /nfs/dbraw/zinc/87/98/72/861879872.db2.gz CMZSTMMVEVTNSK-UHFFFAOYSA-N -1 1 416.433 4.486 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c(=O)[n-]1 ZINC000041895740 848262681 /nfs/dbraw/zinc/26/26/81/848262681.db2.gz XTDTUWDUPXXXBJ-PXAZEXFGSA-N -1 1 401.532 4.053 20 0 HIADMM Cc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436673742 861889851 /nfs/dbraw/zinc/88/98/51/861889851.db2.gz LKVDDKRXOMSRRF-HXUWFJFHSA-N -1 1 408.523 4.179 20 0 HIADMM CC(C)c1ccc2cc(C(=O)Nc3nc(Cc4n[n-]c(=S)n4C)cs3)[nH]c2c1 ZINC000042363282 848321428 /nfs/dbraw/zinc/32/14/28/848321428.db2.gz LCBPLWPABXASJK-UHFFFAOYSA-N -1 1 412.544 4.382 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000436675579 861890648 /nfs/dbraw/zinc/89/06/48/861890648.db2.gz LGQXWUWHYOXVHH-BKMJKUGQSA-N -1 1 418.537 4.499 20 0 HIADMM CCOc1cc(-c2noc(-c3cnn(CC(C)C)c3)n2)cc(Br)c1[O-] ZINC000436700465 861896763 /nfs/dbraw/zinc/89/67/63/861896763.db2.gz VYORVWDFWRTRRR-UHFFFAOYSA-N -1 1 407.268 4.123 20 0 HIADMM C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436719615 861904580 /nfs/dbraw/zinc/90/45/80/861904580.db2.gz AMFZRTZKGVWRSP-DIFFPNOSSA-N -1 1 410.695 4.410 20 0 HIADMM Cc1ccc(NC(=S)NCc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000044081188 848511749 /nfs/dbraw/zinc/51/17/49/848511749.db2.gz PVSMYZZSKNLELU-UHFFFAOYSA-N -1 1 411.552 4.282 20 0 HIADMM CO[C@H](C)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436723765 861912156 /nfs/dbraw/zinc/91/21/56/861912156.db2.gz MFIDILAITKKTOY-LLVKDONJSA-N -1 1 411.285 4.106 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCCN(c2ccccc2Cl)CC1 ZINC000436729868 861914030 /nfs/dbraw/zinc/91/40/30/861914030.db2.gz IGMJKALVIXHRLW-UHFFFAOYSA-N -1 1 409.711 4.161 20 0 HIADMM CCCCc1ccc(NC(=S)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000044383643 848555103 /nfs/dbraw/zinc/55/51/03/848555103.db2.gz ZRXWVZQFDCLXSZ-UHFFFAOYSA-N -1 1 407.561 4.218 20 0 HIADMM CN(Cc1cc(Br)cs1)C(=O)c1ccc(Br)cc1[O-] ZINC000044483983 848561036 /nfs/dbraw/zinc/56/10/36/848561036.db2.gz BQVPWLWSNPIHPO-UHFFFAOYSA-N -1 1 405.111 4.251 20 0 HIADMM COCC(C)(C)CCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436739627 861923082 /nfs/dbraw/zinc/92/30/82/861923082.db2.gz WVBBOEOWCKVJMV-UHFFFAOYSA-N -1 1 420.456 4.105 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1ccc(O)cc1[O-] ZINC000436745002 861928195 /nfs/dbraw/zinc/92/81/95/861928195.db2.gz RTSMMHIWLLATJX-OAQYLSRUSA-N -1 1 402.450 4.327 20 0 HIADMM CCN(Cc1ccc(OC)cc1)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000045398255 848674342 /nfs/dbraw/zinc/67/43/42/848674342.db2.gz MZHHYENSDDIALO-UHFFFAOYSA-N -1 1 410.543 4.364 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000436749170 861931203 /nfs/dbraw/zinc/93/12/03/861931203.db2.gz IRULVUTXLUKTGY-LLVKDONJSA-N -1 1 407.314 4.104 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c([O-])c2)c1 ZINC000436752449 861934187 /nfs/dbraw/zinc/93/41/87/861934187.db2.gz BDIJQSFNHUHEHJ-UHFFFAOYSA-N -1 1 412.486 4.066 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@@H]1c1ccccc1 ZINC000045788052 848728788 /nfs/dbraw/zinc/72/87/88/848728788.db2.gz PAMZBAZGXPJXSF-OAQYLSRUSA-N -1 1 410.470 4.214 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000436755265 861941474 /nfs/dbraw/zinc/94/14/74/861941474.db2.gz MIELSIGUHOSCRR-UHFFFAOYSA-N -1 1 413.930 4.127 20 0 HIADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])c(OC)c1 ZINC000436755921 861942328 /nfs/dbraw/zinc/94/23/28/861942328.db2.gz OVDLWSLWKVSOHY-INIZCTEOSA-N -1 1 406.276 4.149 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436755269 861942429 /nfs/dbraw/zinc/94/24/29/861942429.db2.gz MKVRMMROPJSKFO-UHFFFAOYSA-N -1 1 408.364 4.051 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C)c([O-])c2)c1 ZINC000436756728 861943903 /nfs/dbraw/zinc/94/39/03/861943903.db2.gz DSMQVQLKYYYRMT-UHFFFAOYSA-N -1 1 406.438 4.222 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccsc2)c1 ZINC000046366854 848833555 /nfs/dbraw/zinc/83/35/55/848833555.db2.gz MUWONFWPQATSFG-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM COc1ccc(CN2CCCN(C(=O)c3c([O-])cc(Cl)cc3Cl)CC2)cc1 ZINC000436759502 861948046 /nfs/dbraw/zinc/94/80/46/861948046.db2.gz YUTVDUHDDIDXAF-UHFFFAOYSA-N -1 1 409.313 4.056 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c([O-])c1 ZINC000436759205 861949158 /nfs/dbraw/zinc/94/91/58/861949158.db2.gz UVQATATXWOYYED-UHFFFAOYSA-N -1 1 412.877 4.291 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000046592000 848881656 /nfs/dbraw/zinc/88/16/56/848881656.db2.gz DBFGIFQMFAWFRN-UHFFFAOYSA-N -1 1 414.508 4.312 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1F ZINC000046611987 848885877 /nfs/dbraw/zinc/88/58/77/848885877.db2.gz IPKTXOVPXHTHPO-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436766707 861957345 /nfs/dbraw/zinc/95/73/45/861957345.db2.gz SRYUJFZSIJHHGY-RHSMWYFYSA-N -1 1 412.486 4.065 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccc(O)cc4)no3)cc2)cc1 ZINC000436776573 861966917 /nfs/dbraw/zinc/96/69/17/861966917.db2.gz KSUQEGFEKXCOBK-UHFFFAOYSA-N -1 1 407.451 4.218 20 0 HIADMM O=C(NCCCc1cccc(F)c1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436790304 861983871 /nfs/dbraw/zinc/98/38/71/861983871.db2.gz GQVVIHACHUHECE-JOCHJYFZSA-N -1 1 420.484 4.038 20 0 HIADMM Cc1c2ccccc2oc1C(=O)[N-]NC(=O)c1ccc(Br)cc1Cl ZINC000048323947 849207185 /nfs/dbraw/zinc/20/71/85/849207185.db2.gz CCEGOUJFPIXLKX-UHFFFAOYSA-N -1 1 407.651 4.232 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])c(C)c1 ZINC000436818299 862001274 /nfs/dbraw/zinc/00/12/74/862001274.db2.gz KFTMAUSIFKKMQM-MRXNPFEDSA-N -1 1 424.444 4.182 20 0 HIADMM O=C(N[C@@H]1CCCc2sccc21)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436828558 862010567 /nfs/dbraw/zinc/01/05/67/862010567.db2.gz YVWNNPUQGDFMMA-UXHICEINSA-N -1 1 420.534 4.405 20 0 HIADMM CCc1nc(C)c(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000050579058 849395518 /nfs/dbraw/zinc/39/55/18/849395518.db2.gz QQPRRRGMZQDSEY-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C(C3CC3)C3CC3)c2)cc1F ZINC000050682632 849403996 /nfs/dbraw/zinc/40/39/96/849403996.db2.gz GLLKVBMZMFKKQU-UHFFFAOYSA-N -1 1 416.518 4.196 20 0 HIADMM CCO[C@H](CCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C(C)C ZINC000436837016 862017647 /nfs/dbraw/zinc/01/76/47/862017647.db2.gz IOFFBVLPULKTFD-HXUWFJFHSA-N -1 1 420.456 4.104 20 0 HIADMM Cc1cccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1O ZINC000436840568 862019431 /nfs/dbraw/zinc/01/94/31/862019431.db2.gz PHERWOOYFRVPOI-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM Cc1cccn(Cc2c(F)cccc2NC(=O)c2cc3ccccc3cc2[O-])c1=O ZINC000436844037 862021040 /nfs/dbraw/zinc/02/10/40/862021040.db2.gz LGKXCJNVSWKBOL-UHFFFAOYSA-N -1 1 402.425 4.455 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])[C@H]1CCCOC1 ZINC000436856186 862035258 /nfs/dbraw/zinc/03/52/58/862035258.db2.gz LDSRJEQSDITUNH-AWEZNQCLSA-N -1 1 423.296 4.202 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CC(=O)c4ccccc43)n2)cc(Br)c1[O-] ZINC000436871701 862047784 /nfs/dbraw/zinc/04/77/84/862047784.db2.gz KOFBTIZABGHINI-CYBMUJFWSA-N -1 1 415.243 4.322 20 0 HIADMM O=S(=O)(CCCc1nc(-c2ccc([O-])cc2Cl)no1)c1ccc(Cl)cc1 ZINC000436875914 862052845 /nfs/dbraw/zinc/05/28/45/862052845.db2.gz YYZHEHTZOPCIPB-UHFFFAOYSA-N -1 1 413.282 4.156 20 0 HIADMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1F ZINC000053819609 849762853 /nfs/dbraw/zinc/76/28/53/849762853.db2.gz OTBUIRNVUCALIU-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCSCC2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000053818870 849763223 /nfs/dbraw/zinc/76/32/23/849763223.db2.gz ORHLLRAXTFTYBN-UHFFFAOYSA-N -1 1 411.310 4.140 20 0 HIADMM Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436876694 862054950 /nfs/dbraw/zinc/05/49/50/862054950.db2.gz ASSNSKRTPHOAQX-JXFKEZNVSA-N -1 1 406.417 4.321 20 0 HIADMM COc1cc(-c2noc(C(F)(F)c3ncccc3C)n2)cc(Br)c1[O-] ZINC000436877514 862055273 /nfs/dbraw/zinc/05/52/73/862055273.db2.gz GZJBPKDVVWXPIC-UHFFFAOYSA-N -1 1 412.190 4.057 20 0 HIADMM CCCOc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(OCCCOC)c1 ZINC000436880796 862058978 /nfs/dbraw/zinc/05/89/78/862058978.db2.gz SJQCECMPRQKYRH-UHFFFAOYSA-N -1 1 402.422 4.452 20 0 HIADMM COc1cc(-c2noc(C3(Oc4ccccc4F)CC3)n2)cc(Br)c1[O-] ZINC000436878236 862057473 /nfs/dbraw/zinc/05/74/73/862057473.db2.gz JCFTXRQLALRHMF-UHFFFAOYSA-N -1 1 421.222 4.421 20 0 HIADMM COc1cc(-c2noc([C@@H]3CCCc4c(O)cccc43)n2)cc(Br)c1[O-] ZINC000436880154 862057563 /nfs/dbraw/zinc/05/75/63/862057563.db2.gz PJBUJFYEIHYWSJ-CYBMUJFWSA-N -1 1 417.259 4.387 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000054152042 849816796 /nfs/dbraw/zinc/81/67/96/849816796.db2.gz NHWBUXCVESGTIL-UHFFFAOYSA-N -1 1 410.857 4.436 20 0 HIADMM Cn1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc21 ZINC000054658096 849899232 /nfs/dbraw/zinc/89/92/32/849899232.db2.gz NZCUVYOIUWZPED-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM CCOc1cc(-c2noc([C@H](C)n3nc(C)cc3C)n2)cc(Br)c1[O-] ZINC000436893190 862069648 /nfs/dbraw/zinc/06/96/48/862069648.db2.gz NAFQQGUUMHKQTN-NSHDSACASA-N -1 1 407.268 4.026 20 0 HIADMM CCOc1cc(-c2noc([C@@H](C)n3nc(C)cc3C)n2)cc(Br)c1[O-] ZINC000436893187 862069669 /nfs/dbraw/zinc/06/96/69/862069669.db2.gz NAFQQGUUMHKQTN-LLVKDONJSA-N -1 1 407.268 4.026 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccccc3F)no2)c(O)c1)c1cccs1 ZINC000436893603 862069935 /nfs/dbraw/zinc/06/99/35/862069935.db2.gz OFTLXNXLEVIPPA-UHFFFAOYSA-N -1 1 417.443 4.111 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(-c2cnco2)cc1 ZINC000054779382 849921480 /nfs/dbraw/zinc/92/14/80/849921480.db2.gz DVOKMHYVCNXBKK-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM CN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000055113396 849972300 /nfs/dbraw/zinc/97/23/00/849972300.db2.gz OHDVGBHWGJTGAY-UHFFFAOYSA-N -1 1 402.422 4.256 20 0 HIADMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1F ZINC000055592704 850068500 /nfs/dbraw/zinc/06/85/00/850068500.db2.gz DVVXWRFCPVMJRB-UHFFFAOYSA-N -1 1 406.410 4.228 20 0 HIADMM O=C(Nc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1F)C1CCCCC1 ZINC000055594002 850070689 /nfs/dbraw/zinc/07/06/89/850070689.db2.gz QWEIVEFQOPEBGR-UHFFFAOYSA-N -1 1 412.433 4.424 20 0 HIADMM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000055651281 850096494 /nfs/dbraw/zinc/09/64/94/850096494.db2.gz DDOLZEAFZZHWGN-UHFFFAOYSA-N -1 1 412.555 4.157 20 0 HIADMM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436913420 862091992 /nfs/dbraw/zinc/09/19/92/862091992.db2.gz GDBDKJHRVMPNID-UHFFFAOYSA-N -1 1 402.241 4.147 20 0 HIADMM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436913420 862092007 /nfs/dbraw/zinc/09/20/07/862092007.db2.gz GDBDKJHRVMPNID-UHFFFAOYSA-N -1 1 402.241 4.147 20 0 HIADMM C/C=C/C[C@@H](CO)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436915560 862096683 /nfs/dbraw/zinc/09/66/83/862096683.db2.gz OVCOXCJUBZTFRH-HSWBROFVSA-N -1 1 423.296 4.008 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(F)cc(C(F)(F)F)c1 ZINC000436918641 862101176 /nfs/dbraw/zinc/10/11/76/862101176.db2.gz JRAFWXCFRPSBJF-UHFFFAOYSA-N -1 1 400.719 4.241 20 0 HIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(F)cc(C(F)(F)F)c1 ZINC000436918641 862101182 /nfs/dbraw/zinc/10/11/82/862101182.db2.gz JRAFWXCFRPSBJF-UHFFFAOYSA-N -1 1 400.719 4.241 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000056227572 850291307 /nfs/dbraw/zinc/29/13/07/850291307.db2.gz BYFJLEIZXCGESW-UHFFFAOYSA-N -1 1 402.422 4.042 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2c2cccc3ccccc32)c(=O)[n-]1 ZINC000056363768 850336614 /nfs/dbraw/zinc/33/66/14/850336614.db2.gz QXGAPCWYTDFJIK-FQEVSTJZSA-N -1 1 407.539 4.250 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CCC1(F)F ZINC000436938447 862117965 /nfs/dbraw/zinc/11/79/65/862117965.db2.gz LHGDHWIILKJHIP-LLVKDONJSA-N -1 1 410.367 4.040 20 0 HIADMM COc1ccc([C@@H](Cc2ccccc2C)NC(=O)C(=O)c2ccc([O-])cc2)cc1OC ZINC000436943333 862119380 /nfs/dbraw/zinc/11/93/80/862119380.db2.gz LQBTXVUTMUCKJU-OAQYLSRUSA-N -1 1 419.477 4.001 20 0 HIADMM O=C(CCc1ccsc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931611 850518819 /nfs/dbraw/zinc/51/88/19/850518819.db2.gz WHLPPWFAYYVDNV-UHFFFAOYSA-N -1 1 404.488 4.259 20 0 HIADMM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccc(Br)cc2[O-])no1 ZINC000436961021 862140478 /nfs/dbraw/zinc/14/04/78/862140478.db2.gz IUVMYLUCZJKGOE-CQSZACIVSA-N -1 1 408.296 4.419 20 0 HIADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000057119399 850552158 /nfs/dbraw/zinc/55/21/58/850552158.db2.gz BGWSCBBIFNJYSG-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000057912467 850743190 /nfs/dbraw/zinc/74/31/90/850743190.db2.gz IHKBYYUSQWGHKU-GUYCJALGSA-N -1 1 409.511 4.229 20 0 HIADMM CCOc1cc(-c2noc(/C=C/c3cncc(OC)c3)n2)cc(Br)c1[O-] ZINC000436984723 862162784 /nfs/dbraw/zinc/16/27/84/862162784.db2.gz ZOYLOVGYAYPBNM-SNAWJCMRSA-N -1 1 418.247 4.177 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccnc1Cl ZINC000058058950 850758927 /nfs/dbraw/zinc/75/89/27/850758927.db2.gz FIVOTLSDCZONSF-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM C[C@@H](OCc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058143627 850772887 /nfs/dbraw/zinc/77/28/87/850772887.db2.gz IDQVTMYAKRLJLL-QGZVFWFLSA-N -1 1 410.495 4.031 20 0 HIADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000058204971 850780524 /nfs/dbraw/zinc/78/05/24/850780524.db2.gz CNUPBYCSZIIWJC-UHFFFAOYSA-N -1 1 420.007 4.022 20 0 HIADMM N#Cc1ccc(CN(Cn2c(Cc3cccs3)n[n-]c2=S)CC(F)(F)F)cc1 ZINC000058205840 850781153 /nfs/dbraw/zinc/78/11/53/850781153.db2.gz YNOQOJGEOWAPNB-UHFFFAOYSA-N -1 1 423.489 4.487 20 0 HIADMM Cc1ccccc1NCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058255605 850788291 /nfs/dbraw/zinc/78/82/91/850788291.db2.gz OLBCCPKGOFRTTR-UHFFFAOYSA-N -1 1 409.511 4.237 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N([C@@H](C)C(C)C)C3CC3)c2)c1 ZINC000058262950 850789427 /nfs/dbraw/zinc/78/94/27/850789427.db2.gz KYKYFOBUDGXDKK-KRWDZBQOSA-N -1 1 400.544 4.445 20 0 HIADMM CCCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000058272177 850789852 /nfs/dbraw/zinc/78/98/52/850789852.db2.gz GLCLKCHSLGIXOC-UHFFFAOYSA-N -1 1 414.449 4.210 20 0 HIADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436997868 862172332 /nfs/dbraw/zinc/17/23/32/862172332.db2.gz GJLUAXZHCVQQFJ-IUKKYPGJSA-N -1 1 416.521 4.458 20 0 HIADMM CC(C)(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1 ZINC000058513220 850843131 /nfs/dbraw/zinc/84/31/31/850843131.db2.gz SDTNQNHWMLBCKV-OAQYLSRUSA-N -1 1 423.538 4.400 20 0 HIADMM O=C(OCc1ccc(Cl)nc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000058612460 850867505 /nfs/dbraw/zinc/86/75/05/850867505.db2.gz QOLRNWFOLMOUQX-UHFFFAOYSA-N -1 1 420.849 4.032 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3O)c2)cc1 ZINC000060093487 851040184 /nfs/dbraw/zinc/04/01/84/851040184.db2.gz LHYUHBYTQODJCO-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM O=C(Nc1ccncc1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000060341770 851069637 /nfs/dbraw/zinc/06/96/37/851069637.db2.gz GAEJHSQTNFYJDK-UHFFFAOYSA-N -1 1 407.495 4.014 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2NC(=O)c2ccccn2)c(C)c1 ZINC000060362380 851078780 /nfs/dbraw/zinc/07/87/80/851078780.db2.gz PAUGGTFKPQUTPJ-UHFFFAOYSA-N -1 1 413.474 4.199 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccncc3)c2)c1C ZINC000060365706 851079700 /nfs/dbraw/zinc/07/97/00/851079700.db2.gz RUOYYMHIPGALEJ-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Oc2ccccc2)c1 ZINC000060376643 851082980 /nfs/dbraw/zinc/08/29/80/851082980.db2.gz JCOGHXCPZQUMGF-UHFFFAOYSA-N -1 1 411.435 4.181 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(OCC)c2)cc1OCC ZINC000061035245 851280421 /nfs/dbraw/zinc/28/04/21/851280421.db2.gz LTMAVALLAAUIIS-UHFFFAOYSA-N -1 1 409.504 4.082 20 0 HIADMM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000061035497 851280654 /nfs/dbraw/zinc/28/06/54/851280654.db2.gz OFPZSDQYSUJDBJ-UHFFFAOYSA-N -1 1 409.895 4.285 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C(C)C)[nH]n3)ccc2C)c1 ZINC000063111336 851617319 /nfs/dbraw/zinc/61/73/19/851617319.db2.gz BUUNHHSBWPVUGB-UHFFFAOYSA-N -1 1 412.515 4.203 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000063146531 851622036 /nfs/dbraw/zinc/62/20/36/851622036.db2.gz OIECGTBUCCPNTE-UHFFFAOYSA-N -1 1 401.315 4.276 20 0 HIADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)c1 ZINC000063180762 851628780 /nfs/dbraw/zinc/62/87/80/851628780.db2.gz ABJMSANORHVEMH-MRXNPFEDSA-N -1 1 404.532 4.147 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](C)CC3)c2)cc1F ZINC000063273934 851647705 /nfs/dbraw/zinc/64/77/05/851647705.db2.gz HJTSHPXCQIVJHS-HNNXBMFYSA-N -1 1 404.507 4.197 20 0 HIADMM CCOC(=O)C1=C(NC(=O)c2csc(CC(C)C)n2)[N-]c2ccccc2N=C1C ZINC000063570220 851716653 /nfs/dbraw/zinc/71/66/53/851716653.db2.gz GOZDQADYNLVRLU-UHFFFAOYSA-N -1 1 412.515 4.064 20 0 HIADMM O=C(CNc1ccccc1Cl)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000063645434 851732568 /nfs/dbraw/zinc/73/25/68/851732568.db2.gz GVGPIWPHMZEQQQ-UHFFFAOYSA-N -1 1 415.902 4.191 20 0 HIADMM COc1ccc(CC[C@@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000063698709 851742829 /nfs/dbraw/zinc/74/28/29/851742829.db2.gz IWYYVTRXSMSENX-QGZVFWFLSA-N -1 1 424.570 4.452 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000063803315 851768569 /nfs/dbraw/zinc/76/85/69/851768569.db2.gz WPLAFSFOBUUZLO-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)cc1 ZINC000063849552 851777350 /nfs/dbraw/zinc/77/73/50/851777350.db2.gz MXUJAUXIBMGCJO-UHFFFAOYSA-N -1 1 401.488 4.415 20 0 HIADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1Cl ZINC000063911792 851791066 /nfs/dbraw/zinc/79/10/66/851791066.db2.gz WKMCMVLKOREZCY-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1OCC ZINC000063911460 851791590 /nfs/dbraw/zinc/79/15/90/851791590.db2.gz ZESVBDYQXWBAAE-UHFFFAOYSA-N -1 1 407.385 4.443 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000064316735 851869625 /nfs/dbraw/zinc/86/96/25/851869625.db2.gz RIJZHZNAGPOLEU-UHFFFAOYSA-N -1 1 402.454 4.415 20 0 HIADMM Cc1ccc(CCC2CCN(C(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)CC2)cc1 ZINC000064335632 851874336 /nfs/dbraw/zinc/87/43/36/851874336.db2.gz AWXSNMDGDWJICX-UHFFFAOYSA-N -1 1 420.557 4.164 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)c(C(F)(F)F)c1 ZINC000064375074 851881804 /nfs/dbraw/zinc/88/18/04/851881804.db2.gz DRRRHRKZKNDKNE-UHFFFAOYSA-N -1 1 419.421 4.231 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1 ZINC000064477354 851908131 /nfs/dbraw/zinc/90/81/31/851908131.db2.gz QWXMEYDWOCEHKH-OAHLLOKOSA-N -1 1 418.584 4.390 20 0 HIADMM CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000437118827 862305383 /nfs/dbraw/zinc/30/53/83/862305383.db2.gz UWLGGKOMUZAZRE-LJQANCHMSA-N -1 1 419.566 4.400 20 0 HIADMM O=C(CCc1cc(F)ccc1F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000064880763 852012051 /nfs/dbraw/zinc/01/20/51/852012051.db2.gz QZJOCIIVRCVOIN-UHFFFAOYSA-N -1 1 416.449 4.337 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1OCC ZINC000064938319 852027622 /nfs/dbraw/zinc/02/76/22/852027622.db2.gz QFFYRIJMIUBJED-UHFFFAOYSA-N -1 1 405.516 4.211 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000437132805 862324403 /nfs/dbraw/zinc/32/44/03/862324403.db2.gz JNUXKEYVDGFXJF-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2CCc3ccccc32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000065629727 852203974 /nfs/dbraw/zinc/20/39/74/852203974.db2.gz DSNLTZYIUGHTOB-FQEVSTJZSA-N -1 1 408.404 4.340 20 0 HIADMM CC[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCS1 ZINC000437141350 862333572 /nfs/dbraw/zinc/33/35/72/862333572.db2.gz BXYNBVYZALAUOF-LJQANCHMSA-N -1 1 418.584 4.072 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000065843101 852280808 /nfs/dbraw/zinc/28/08/08/852280808.db2.gz SEHLMZGDADSEMD-UHFFFAOYSA-N -1 1 418.515 4.031 20 0 HIADMM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(Br)cc1[O-] ZINC000066048191 852365042 /nfs/dbraw/zinc/36/50/42/852365042.db2.gz LZVCYFQIXPOTMO-UHFFFAOYSA-N -1 1 417.303 4.213 20 0 HIADMM Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)cc1 ZINC000066048472 852365354 /nfs/dbraw/zinc/36/53/54/852365354.db2.gz TZMCUQKQYFJHML-UHFFFAOYSA-N -1 1 402.288 4.198 20 0 HIADMM CCc1cc2c(CNc3cccc(I)c3)cc(=O)oc2cc1[O-] ZINC000069056236 852381559 /nfs/dbraw/zinc/38/15/59/852381559.db2.gz QCFXVKOFQRELJR-UHFFFAOYSA-N -1 1 421.234 4.278 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCCCCC3)c2)cc1 ZINC000069667220 852399918 /nfs/dbraw/zinc/39/99/18/852399918.db2.gz VPOFYAKUQPBSHQ-UHFFFAOYSA-N -1 1 416.543 4.292 20 0 HIADMM Cn1cccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000071832292 852413791 /nfs/dbraw/zinc/41/37/91/852413791.db2.gz LNBUZKBKISOJHF-UHFFFAOYSA-N -1 1 423.416 4.097 20 0 HIADMM Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000071906452 852429123 /nfs/dbraw/zinc/42/91/23/852429123.db2.gz SOXFAPYBSOPPDO-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1SC1CCCC1 ZINC000072008442 852463340 /nfs/dbraw/zinc/46/33/40/852463340.db2.gz RSCQPWITGCTHGH-UHFFFAOYSA-N -1 1 420.538 4.356 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2)cc1 ZINC000072115518 852511706 /nfs/dbraw/zinc/51/17/06/852511706.db2.gz ROYIKWWOYNJTBT-WHSLLNHNSA-N -1 1 416.543 4.051 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cc(F)ccc3F)cc2)cc1 ZINC000078512183 852517754 /nfs/dbraw/zinc/51/77/54/852517754.db2.gz YNMLWWKKEZLWEX-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM O=C(CCc1cccc(Br)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000097052545 852578170 /nfs/dbraw/zinc/57/81/70/852578170.db2.gz LOWCSYRTRSSQTD-UHFFFAOYSA-N -1 1 416.315 4.209 20 0 HIADMM CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000097548802 852627441 /nfs/dbraw/zinc/62/74/41/852627441.db2.gz OHMQWICQJRGASA-UHFFFAOYSA-N -1 1 415.334 4.024 20 0 HIADMM CCn1c(CNC(=O)c2ccccc2OCc2ccc(Cl)cc2)n[n-]c1=S ZINC000097551694 852629122 /nfs/dbraw/zinc/62/91/22/852629122.db2.gz WENAZKWOTHWXTK-UHFFFAOYSA-N -1 1 402.907 4.123 20 0 HIADMM Cc1cccc(OCCC(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)c1C ZINC000097551054 852629217 /nfs/dbraw/zinc/62/92/17/852629217.db2.gz OLVNQPMBFAUSSI-UHFFFAOYSA-N -1 1 400.548 4.068 20 0 HIADMM Cn1c([C@H]2CCCN(C(=O)C(C)(C)c3cccc(C(F)(F)F)c3)C2)n[n-]c1=S ZINC000097570030 852631463 /nfs/dbraw/zinc/63/14/63/852631463.db2.gz APVVHMZSAOICNX-LBPRGKRZSA-N -1 1 412.481 4.180 20 0 HIADMM CCN(c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=S)n3CC)C2)cc1)C(C)C ZINC000097570124 852632478 /nfs/dbraw/zinc/63/24/78/852632478.db2.gz BRZZKOWRXGHBID-QGZVFWFLSA-N -1 1 401.580 4.215 20 0 HIADMM CCCCN1C(=O)CC[C@@H](C(=O)[N-]OCc2ccccc2)[C@H]1c1ccccc1OC ZINC000105181864 852693045 /nfs/dbraw/zinc/69/30/45/852693045.db2.gz XJKUVAGDSRURRP-NFBKMPQASA-N -1 1 410.514 4.023 20 0 HIADMM CCN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000105888976 852736716 /nfs/dbraw/zinc/73/67/16/852736716.db2.gz VRFNFENWCDRQAB-UHFFFAOYSA-N -1 1 408.523 4.192 20 0 HIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1)C(C)=O ZINC000106239846 852764657 /nfs/dbraw/zinc/76/46/57/852764657.db2.gz UZHGOFAEUHNWNU-UHFFFAOYSA-N -1 1 402.560 4.444 20 0 HIADMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2F)C[C@@H](C)O1 ZINC000108439690 852851287 /nfs/dbraw/zinc/85/12/87/852851287.db2.gz DAOLVCMVYXEEFL-VXGBXAGGSA-N -1 1 416.877 4.033 20 0 HIADMM CCOc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1F ZINC000108579971 852861899 /nfs/dbraw/zinc/86/18/99/852861899.db2.gz ZTVJTENTTFSNKJ-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000108705245 852874252 /nfs/dbraw/zinc/87/42/52/852874252.db2.gz ONDJILPJARTSEZ-MRXNPFEDSA-N -1 1 406.433 4.336 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3c3ccccn3)c2)cc1 ZINC000108894812 852890526 /nfs/dbraw/zinc/89/05/26/852890526.db2.gz QOMPDZKWBLEVSX-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3O)c2)c1 ZINC000109128346 852925888 /nfs/dbraw/zinc/92/58/88/852925888.db2.gz DGCWBDHJANYFEC-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM CCOc1cccc([C@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000109380990 852962202 /nfs/dbraw/zinc/96/22/02/852962202.db2.gz TYSAHJIVTFAURJ-ZDUSSCGKSA-N -1 1 402.545 4.335 20 0 HIADMM CCCCCC[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000109693858 853000726 /nfs/dbraw/zinc/00/07/26/853000726.db2.gz NREWWAPBNXNYCL-UHFFFAOYSA-N -1 1 417.138 4.209 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2SC(F)F)c(=O)[n-]1 ZINC000110220850 853075219 /nfs/dbraw/zinc/07/52/19/853075219.db2.gz QRCWLALRRNCEQZ-UHFFFAOYSA-N -1 1 419.906 4.340 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1nccc2ccccc21 ZINC000110368342 853092034 /nfs/dbraw/zinc/09/20/34/853092034.db2.gz CLLHZQKVYUGFFA-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCn4cccc4[C@H]3C)c2)c1 ZINC000110483189 853107059 /nfs/dbraw/zinc/10/70/59/853107059.db2.gz QGXRKTIQBNRAIO-GOSISDBHSA-N -1 1 423.538 4.123 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3N(C)C)c2)c1 ZINC000110482688 853107103 /nfs/dbraw/zinc/10/71/03/853107103.db2.gz RWSIQICDEFKWRP-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM O=C(Nc1cccc(C(F)(F)F)c1)c1cc(I)ccc1[O-] ZINC000113592565 853242596 /nfs/dbraw/zinc/24/25/96/853242596.db2.gz OTWZPDZJGAHUBQ-UHFFFAOYSA-N -1 1 407.129 4.268 20 0 HIADMM Cc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)sc1C ZINC000115379360 853250659 /nfs/dbraw/zinc/25/06/59/853250659.db2.gz FYOPNSREGDBNHL-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM Cc1ccc(-c2nc(CC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cs2)cc1 ZINC000115495474 853252878 /nfs/dbraw/zinc/25/28/78/853252878.db2.gz IZCGJTSGLWILOH-UHFFFAOYSA-N -1 1 420.534 4.488 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000115899093 853270166 /nfs/dbraw/zinc/27/01/66/853270166.db2.gz ZQUDXBHHMXAIJT-UHFFFAOYSA-N -1 1 403.548 4.325 20 0 HIADMM CC(C)[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000115906581 853271226 /nfs/dbraw/zinc/27/12/26/853271226.db2.gz HZKUZWVAVFJMCO-LJQANCHMSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1ccc2c(CCNC(=O)CCn3c(=S)[n-]nc3-c3cccc(C)c3)c[nH]c2c1 ZINC000116476989 853307253 /nfs/dbraw/zinc/30/72/53/853307253.db2.gz UJVJZMRCIGUEAJ-UHFFFAOYSA-N -1 1 419.554 4.455 20 0 HIADMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)c(=O)o1 ZINC000138356961 853384106 /nfs/dbraw/zinc/38/41/06/853384106.db2.gz BSGLUOPIAACRAT-MDRMPYQZSA-N -1 1 412.445 4.076 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 ZINC000144562874 853537674 /nfs/dbraw/zinc/53/76/74/853537674.db2.gz WDVSWPFKLBZSBE-UHFFFAOYSA-N -1 1 410.470 4.390 20 0 HIADMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2F)n1 ZINC000149449015 853625169 /nfs/dbraw/zinc/62/51/69/853625169.db2.gz WSXJZOUBIYLDLT-AWEZNQCLSA-N -1 1 409.442 4.309 20 0 HIADMM Cc1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000195531838 853669028 /nfs/dbraw/zinc/66/90/28/853669028.db2.gz BBGVSQDKMWVLBF-OAHLLOKOSA-N -1 1 416.474 4.361 20 0 HIADMM O=S(=O)([N-]CCOc1ccc2ccccc2c1)c1sccc1Br ZINC000195534609 853670443 /nfs/dbraw/zinc/67/04/43/853670443.db2.gz JVVFLTGYKBVQLQ-UHFFFAOYSA-N -1 1 412.330 4.021 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c([O-])c1 ZINC000195535090 853671480 /nfs/dbraw/zinc/67/14/80/853671480.db2.gz BHRBNKPSMZBJLL-UHFFFAOYSA-N -1 1 402.878 4.369 20 0 HIADMM Cc1cccc2c1CCN2C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000195735296 853785832 /nfs/dbraw/zinc/78/58/32/853785832.db2.gz XITLEQJUEJDRCU-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000195749610 853792794 /nfs/dbraw/zinc/79/27/94/853792794.db2.gz FIHJYLVMGZHLTQ-UHFFFAOYSA-N -1 1 405.570 4.419 20 0 HIADMM COc1ccc([C@@H]2CCCN2C(=O)c2cc(Br)ccc2[O-])c(OC)c1 ZINC000215762120 853836974 /nfs/dbraw/zinc/83/69/74/853836974.db2.gz METLGEQZGKUUDQ-INIZCTEOSA-N -1 1 406.276 4.149 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(Br)cc1F)c1cc(F)ccc1Cl ZINC000229171497 853891601 /nfs/dbraw/zinc/89/16/01/853891601.db2.gz NUDGJRPPYHBCQZ-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccnn3[C@H](C)C3CC3)c2)cc1 ZINC000247988123 854171323 /nfs/dbraw/zinc/17/13/23/854171323.db2.gz LENFJHDNEWRZMB-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H]1C ZINC000251612608 854198941 /nfs/dbraw/zinc/19/89/41/854198941.db2.gz DCBQLQIASPNENX-SIFCLUCFSA-N -1 1 404.507 4.181 20 0 HIADMM O=c1cc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c2ccc([O-])cc2o1 ZINC000255936424 854222609 /nfs/dbraw/zinc/22/26/09/854222609.db2.gz AFNPPZOWDXLKKE-UHFFFAOYSA-N -1 1 418.377 4.442 20 0 HIADMM CC[C@@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000261424569 854257986 /nfs/dbraw/zinc/25/79/86/854257986.db2.gz KAABDPGOXXKPBP-LLVKDONJSA-N -1 1 405.829 4.214 20 0 HIADMM O=C(NCc1ccccc1OC1CCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261452780 854267352 /nfs/dbraw/zinc/26/73/52/854267352.db2.gz PKZPQSXXEYCMDJ-UHFFFAOYSA-N -1 1 408.498 4.128 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)cc1Cl ZINC000261472206 854274352 /nfs/dbraw/zinc/27/43/52/854274352.db2.gz YFWVMOPSNMFDGN-RUZDIDTESA-N -1 1 415.964 4.197 20 0 HIADMM CCOc1cc2c(cc1CNc1ccc(-c3nc(C)c(C)c(=O)[n-]3)cn1)O[C@@H](C)C2 ZINC000301361793 854371016 /nfs/dbraw/zinc/37/10/16/854371016.db2.gz OLQUDUFJJXFRIS-ZDUSSCGKSA-N -1 1 406.486 4.195 20 0 HIADMM CCCc1cc(=O)oc2cc(Oc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)ccc12 ZINC000301368190 854372782 /nfs/dbraw/zinc/37/27/82/854372782.db2.gz TVCKVANSCHMJNL-UHFFFAOYSA-N -1 1 414.421 4.372 20 0 HIADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1F ZINC000301384046 854378020 /nfs/dbraw/zinc/37/80/20/854378020.db2.gz FDDWGJYNRWBPQS-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM Cc1nc(-c2ccc(N3CCC(CN4CCc5ccccc54)CC3)nc2)[n-]c(=O)c1C ZINC000301406081 854384579 /nfs/dbraw/zinc/38/45/79/854384579.db2.gz URLNRGYWHSLREB-UHFFFAOYSA-N -1 1 415.541 4.140 20 0 HIADMM Cc1nc(-c2ccc(N3CCC(OCc4ccccc4F)CC3)nc2)[n-]c(=O)c1C ZINC000301912563 854490619 /nfs/dbraw/zinc/49/06/19/854490619.db2.gz DJSZEALEHPQQQS-UHFFFAOYSA-N -1 1 408.477 4.186 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CCC(C)C)cc2)cc1 ZINC000301997361 854513052 /nfs/dbraw/zinc/51/30/52/854513052.db2.gz NIYABEFKFKYENQ-INIZCTEOSA-N -1 1 404.532 4.051 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000437311142 862574361 /nfs/dbraw/zinc/57/43/61/862574361.db2.gz RXVCYONMQSTIDT-UHFFFAOYSA-N -1 1 414.449 4.411 20 0 HIADMM CCSCCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000302469878 854574268 /nfs/dbraw/zinc/57/42/68/854574268.db2.gz XGDNSONGGIONOW-UHFFFAOYSA-N -1 1 407.182 4.177 20 0 HIADMM CCc1ccc([C@@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000302770386 854628820 /nfs/dbraw/zinc/62/88/20/854628820.db2.gz OGEYFUVPIYOJLX-OAHLLOKOSA-N -1 1 410.543 4.446 20 0 HIADMM Cc1cc(C)c(N2CC[C@H](Nc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2=O)c(C)c1 ZINC000302788265 854633544 /nfs/dbraw/zinc/63/35/44/854633544.db2.gz XJLJKQXOWYHMEY-IBGZPJMESA-N -1 1 417.513 4.004 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3cccn3C)cc2)cc1 ZINC000302810107 854642823 /nfs/dbraw/zinc/64/28/23/854642823.db2.gz KWIANGXSUDZUQX-JOCHJYFZSA-N -1 1 423.538 4.112 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000302917788 854679017 /nfs/dbraw/zinc/67/90/17/854679017.db2.gz RUOXUPJOQGQERH-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1 ZINC000303012378 854722568 /nfs/dbraw/zinc/72/25/68/854722568.db2.gz NAMMOCLFQUXZGW-PXNSSMCTSA-N -1 1 422.554 4.295 20 0 HIADMM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000437329501 862598639 /nfs/dbraw/zinc/59/86/39/862598639.db2.gz YVZWUMVOKYXWHL-UHFFFAOYSA-N -1 1 420.210 4.145 20 0 HIADMM CCNC(=O)Nc1cccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c1 ZINC000303092014 854756371 /nfs/dbraw/zinc/75/63/71/854756371.db2.gz ZTJYJKVWZPBSNE-UHFFFAOYSA-N -1 1 424.530 4.086 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCC[C@H]1C1CCC1 ZINC000303181483 854804456 /nfs/dbraw/zinc/80/44/56/854804456.db2.gz KVBDKGPKPUYTPW-FQEVSTJZSA-N -1 1 420.481 4.170 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[nH]3)cc2)c2ccccc12 ZINC000303211826 854818743 /nfs/dbraw/zinc/81/87/43/854818743.db2.gz RIBYIXSZKNGPJZ-UHFFFAOYSA-N -1 1 421.478 4.120 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N[C@H](c1nccs1)c1ccccc1 ZINC000303218165 854821566 /nfs/dbraw/zinc/82/15/66/854821566.db2.gz RAFPIEMLZDORHC-HNNXBMFYSA-N -1 1 413.553 4.031 20 0 HIADMM COc1ccc2cc(NC(=O)Cn3c(=S)[n-]nc3-c3cccc(C)c3)ccc2n1 ZINC000303218995 854822646 /nfs/dbraw/zinc/82/26/46/854822646.db2.gz UJXVJIKTBFYAAF-UHFFFAOYSA-N -1 1 405.483 4.112 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)cc1 ZINC000303235330 854829324 /nfs/dbraw/zinc/82/93/24/854829324.db2.gz ZEPWGNBGWPEGMS-UHFFFAOYSA-N -1 1 414.487 4.009 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3(C)CCCC3)cc2)c1C ZINC000303306766 854863197 /nfs/dbraw/zinc/86/31/97/854863197.db2.gz DVBMZDHLGOLVAA-UHFFFAOYSA-N -1 1 400.544 4.414 20 0 HIADMM CC(C)(C)c1ccccc1OCCNC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000303323293 854871623 /nfs/dbraw/zinc/87/16/23/854871623.db2.gz IDONXFIPSZSCHB-UHFFFAOYSA-N -1 1 416.572 4.162 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCC1(C)CCCC1 ZINC000303396865 854907008 /nfs/dbraw/zinc/90/70/08/854907008.db2.gz ZDQLBQUWWKTOBP-UHFFFAOYSA-N -1 1 404.507 4.245 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1Cl ZINC000303424443 854926215 /nfs/dbraw/zinc/92/62/15/854926215.db2.gz BMDVEUYCKKHPON-UHFFFAOYSA-N -1 1 415.964 4.163 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@](C)(c3ccccc3)C2)c1 ZINC000303541074 855026990 /nfs/dbraw/zinc/02/69/90/855026990.db2.gz HXHLPOAXTJPGDS-QHCPKHFHSA-N -1 1 406.555 4.496 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000303666306 855118452 /nfs/dbraw/zinc/11/84/52/855118452.db2.gz IPMSCDGZMUMOFR-VIFPVBQESA-N -1 1 400.331 4.329 20 0 HIADMM CS[C@@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000303732720 855158509 /nfs/dbraw/zinc/15/85/09/855158509.db2.gz ZTYKVEBUVQPDMM-ZWKOTPCHSA-N -1 1 422.547 4.031 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCC2(c3cccc(F)c3)CC2)c1 ZINC000303822947 855224476 /nfs/dbraw/zinc/22/44/76/855224476.db2.gz NICYSHCGEYVMHS-UHFFFAOYSA-N -1 1 410.518 4.293 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1c(Cl)cccc1Br ZINC000314459857 855376120 /nfs/dbraw/zinc/37/61/20/855376120.db2.gz IEIYILOIICVDNP-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(I)c([O-])c1 ZINC000322980361 855393641 /nfs/dbraw/zinc/39/36/41/855393641.db2.gz MINQYISXFMFJRD-UHFFFAOYSA-N -1 1 422.266 4.239 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCCSC1)c1c(Cl)cc(Br)cc1Cl ZINC000384177739 855439875 /nfs/dbraw/zinc/43/98/75/855439875.db2.gz VXUSWMOXPRCTBE-MRVPVSSYSA-N -1 1 419.193 4.177 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(Br)c1)c1ccc(Br)cc1 ZINC000387405504 855445518 /nfs/dbraw/zinc/44/55/18/855445518.db2.gz LVLSPCWSRLPQDK-UHFFFAOYSA-N -1 1 409.074 4.152 20 0 HIADMM O=S(=O)([N-]Cc1ccsc1Br)c1ccc(Cl)c(F)c1Cl ZINC000388554563 855447838 /nfs/dbraw/zinc/44/78/38/855447838.db2.gz WQGYMDAGMBWZAW-UHFFFAOYSA-N -1 1 419.124 4.435 20 0 HIADMM COc1cccc(Cc2nnc([N-]C(=O)c3csc(-c4ccc(C)o4)n3)s2)c1 ZINC000410285154 855902647 /nfs/dbraw/zinc/90/26/47/855902647.db2.gz DRTZXEDESDLPCG-UHFFFAOYSA-N -1 1 412.496 4.415 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ncc(C)cc3Br)c2)n1 ZINC000410340920 855938202 /nfs/dbraw/zinc/93/82/02/855938202.db2.gz RIEGXUYOVHVUTJ-UHFFFAOYSA-N -1 1 424.345 4.385 20 0 HIADMM O=S(=O)([N-]c1ccccc1Br)c1cccc(Br)c1F ZINC000410362220 855950876 /nfs/dbraw/zinc/95/08/76/855950876.db2.gz UKGJGPMNNYFHNC-UHFFFAOYSA-N -1 1 409.074 4.152 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)c1 ZINC000410416887 855985432 /nfs/dbraw/zinc/98/54/32/855985432.db2.gz IKUQUBLHGLPKHE-UHFFFAOYSA-N -1 1 420.332 4.267 20 0 HIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000410416648 855985928 /nfs/dbraw/zinc/98/59/28/855985928.db2.gz ZSOQSQSCILTFKY-UHFFFAOYSA-N -1 1 420.332 4.267 20 0 HIADMM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)c2)n1 ZINC000425947324 856013402 /nfs/dbraw/zinc/01/34/02/856013402.db2.gz SJWHGHWQNLOTKZ-UHFFFAOYSA-N -1 1 424.448 4.071 20 0 HIADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)cc21 ZINC000425993258 856034658 /nfs/dbraw/zinc/03/46/58/856034658.db2.gz BAXKPDDNLDHWPQ-UHFFFAOYSA-N -1 1 401.818 4.261 20 0 HIADMM COc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2F)cc(Cl)c1[O-] ZINC000426515105 856329866 /nfs/dbraw/zinc/32/98/66/856329866.db2.gz PXZGLADCCBVPKJ-MRVPVSSYSA-N -1 1 402.647 4.447 20 0 HIADMM COc1cc(Br)c(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1OC ZINC000426722578 856434442 /nfs/dbraw/zinc/43/44/42/856434442.db2.gz IBXQPOVTYGEGNN-SGTLLEGYSA-N -1 1 408.292 4.018 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1cc(C)c2ncccc2c1)C(=O)[O-] ZINC000426741587 856447339 /nfs/dbraw/zinc/44/73/39/856447339.db2.gz FXLUEGHBEJTOHG-IBGZPJMESA-N -1 1 415.287 4.230 20 0 HIADMM O=C([O-])C[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccccc2)c1 ZINC000426754751 856457597 /nfs/dbraw/zinc/45/75/97/856457597.db2.gz STYWSUFFOTVXAJ-GOSISDBHSA-N -1 1 405.376 4.077 20 0 HIADMM O=C([O-])C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000426755801 856458816 /nfs/dbraw/zinc/45/88/16/856458816.db2.gz FZBNNSHSZUFRDA-GOSISDBHSA-N -1 1 407.367 4.336 20 0 HIADMM COc1ccc([C@H](CC(=O)[O-])NCc2cc(C(F)(F)F)ccc2F)cc1OC ZINC000426772843 856470565 /nfs/dbraw/zinc/47/05/65/856470565.db2.gz GUMOMNYPHSFLIF-HNNXBMFYSA-N -1 1 401.356 4.167 20 0 HIADMM CCOc1c(Br)cc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)cc1OC ZINC000426790716 856480494 /nfs/dbraw/zinc/48/04/94/856480494.db2.gz BGXKXQVWKHWCRJ-CQSZACIVSA-N -1 1 412.280 4.063 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(C)c(Br)s2)c1OC ZINC000426796439 856483719 /nfs/dbraw/zinc/48/37/19/856483719.db2.gz CCEXPVTZMOVRHX-CYBMUJFWSA-N -1 1 414.321 4.142 20 0 HIADMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@H](NCc1cc(F)cc(F)c1)C(=O)[O-] ZINC000426797896 856484811 /nfs/dbraw/zinc/48/48/11/856484811.db2.gz HKWXFOIRTIYTBT-IBGZPJMESA-N -1 1 405.832 4.336 20 0 HIADMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@@H](NCc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000426806662 856488966 /nfs/dbraw/zinc/48/89/66/856488966.db2.gz KPQLRLQVNIBPNH-LJQANCHMSA-N -1 1 423.822 4.475 20 0 HIADMM CC1(C)Cc2cccc(CN[C@H](CC(=O)[O-])c3cccc(Br)c3)c2O1 ZINC000426805384 856488999 /nfs/dbraw/zinc/48/89/99/856488999.db2.gz AYPVBAUZWKWDBQ-QGZVFWFLSA-N -1 1 404.304 4.468 20 0 HIADMM CC1(C)Cc2cccc(CN[C@@H](CC(=O)[O-])c3cccc(Br)c3)c2O1 ZINC000426805383 856489039 /nfs/dbraw/zinc/48/90/39/856489039.db2.gz AYPVBAUZWKWDBQ-KRWDZBQOSA-N -1 1 404.304 4.468 20 0 HIADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2OC)cc1OCc1ccccc1 ZINC000426808972 856490449 /nfs/dbraw/zinc/49/04/49/856490449.db2.gz BTHUTFHJQNJLLH-QHCPKHFHSA-N -1 1 407.466 4.198 20 0 HIADMM O=C([O-])C[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1cccc(Br)c1 ZINC000426821453 856497403 /nfs/dbraw/zinc/49/74/03/856497403.db2.gz STZDRJNYOGVHKG-KRWDZBQOSA-N -1 1 400.276 4.145 20 0 HIADMM COc1ccc([C@H](NCc2cc(Br)ccc2Cl)C(=O)[O-])cc1F ZINC000426822350 856498402 /nfs/dbraw/zinc/49/84/02/856498402.db2.gz BMECGEHLNKJUOB-HNNXBMFYSA-N -1 1 402.647 4.166 20 0 HIADMM CCn1nc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)c2ccccc21 ZINC000426827792 856502155 /nfs/dbraw/zinc/50/21/55/856502155.db2.gz SVRUVTJLNWLFHG-MRXNPFEDSA-N -1 1 402.292 4.124 20 0 HIADMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000437442563 862811253 /nfs/dbraw/zinc/81/12/53/862811253.db2.gz NSVCZCKYGOOMJS-XGAFWQRZSA-N -1 1 424.497 4.303 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H]4CCCC[C@H]4C3)cc2)c1 ZINC000427183325 856697006 /nfs/dbraw/zinc/69/70/06/856697006.db2.gz VEZDMUIBBDLFIQ-PMACEKPBSA-N -1 1 412.555 4.366 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c(C)c1 ZINC000427212603 856715944 /nfs/dbraw/zinc/71/59/44/856715944.db2.gz MKGLMTQHBOXWOD-CYBMUJFWSA-N -1 1 417.556 4.242 20 0 HIADMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000427261850 856742584 /nfs/dbraw/zinc/74/25/84/856742584.db2.gz BJSFLPFNDGPWSG-UTSGRSJNSA-N -1 1 418.795 4.005 20 0 HIADMM Cc1cc2cc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)ccc2n(C)c1=O ZINC000427318735 856768469 /nfs/dbraw/zinc/76/84/69/856768469.db2.gz FHKUFUKKMAVWNA-UHFFFAOYSA-N -1 1 404.491 4.315 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cccc1-c1ncco1 ZINC000427321021 856770338 /nfs/dbraw/zinc/77/03/38/856770338.db2.gz OAIVPTVUIXMFMS-NSHDSACASA-N -1 1 404.875 4.428 20 0 HIADMM Cc1cc2cc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)ccc2n(C)c1=O ZINC000427354162 856788102 /nfs/dbraw/zinc/78/81/02/856788102.db2.gz GPXPXAVHLSECAZ-UHFFFAOYSA-N -1 1 404.491 4.315 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000427361664 856794127 /nfs/dbraw/zinc/79/41/27/856794127.db2.gz GKKJJPAWDRRIHT-IYBDPMFKSA-N -1 1 420.481 4.028 20 0 HIADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)o1 ZINC000437483266 862842255 /nfs/dbraw/zinc/84/22/55/862842255.db2.gz GERXYVUOTOYFJF-HOCLYGCPSA-N -1 1 422.547 4.125 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cnn([C@H](C)C4CC4)c3)c2)cc1 ZINC000428215500 857113617 /nfs/dbraw/zinc/11/36/17/857113617.db2.gz BSYHPCKJMBQESS-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM O=C(Nc1cccc(NC(=O)c2c(F)ccc(O)c2F)c1)c1c(F)ccc([O-])c1F ZINC000428267113 857133962 /nfs/dbraw/zinc/13/39/62/857133962.db2.gz MYGFCVMXROUBJK-UHFFFAOYSA-N -1 1 420.318 4.159 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CC2(C1)CCCC2 ZINC000428331804 857156819 /nfs/dbraw/zinc/15/68/19/857156819.db2.gz QEUVDLJHHBTABM-UHFFFAOYSA-N -1 1 404.919 4.157 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CC[C@@H]2CCC[C@@H]21 ZINC000428525489 857241302 /nfs/dbraw/zinc/24/13/02/857241302.db2.gz ZXOWYXKCRCODAD-DJJJIMSYSA-N -1 1 422.909 4.295 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)n1 ZINC000428697406 857300629 /nfs/dbraw/zinc/30/06/29/857300629.db2.gz ADBKZPRCSNRTJU-SFHVURJKSA-N -1 1 422.510 4.116 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)n1 ZINC000428702388 857302668 /nfs/dbraw/zinc/30/26/68/857302668.db2.gz RIGMOTGYHZCLPP-UHFFFAOYSA-N -1 1 401.557 4.442 20 0 HIADMM CCc1cc(=O)[n-]c(SCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000428704836 857303689 /nfs/dbraw/zinc/30/36/89/857303689.db2.gz ZYNMIBITTSXBGA-UHFFFAOYSA-N -1 1 400.525 4.178 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3cccc(O)c3)cc2)c1 ZINC000430220175 858086259 /nfs/dbraw/zinc/08/62/59/858086259.db2.gz QNOVNZFZJWERDT-QGZVFWFLSA-N -1 1 424.522 4.301 20 0 HIADMM COc1cc(F)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)cc1OC ZINC000430372775 858138474 /nfs/dbraw/zinc/13/84/74/858138474.db2.gz GONOXMHQVUHDAR-UHFFFAOYSA-N -1 1 415.870 4.011 20 0 HIADMM C[C@@H]1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000430448089 858170116 /nfs/dbraw/zinc/17/01/16/858170116.db2.gz OOYXTMYHKVMQJV-KDOFPFPSSA-N -1 1 406.935 4.401 20 0 HIADMM C[C@H]1CC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000430454398 858173499 /nfs/dbraw/zinc/17/34/99/858173499.db2.gz KGLOHQFJJSYMNV-XJKSGUPXSA-N -1 1 408.470 4.026 20 0 HIADMM CCOc1cc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc(Cl)c1[O-] ZINC000430454922 858173972 /nfs/dbraw/zinc/17/39/72/858173972.db2.gz NOYSALPYHIKVOS-DENIHFKCSA-N -1 1 421.896 4.087 20 0 HIADMM Cc1ccc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000430455826 858174750 /nfs/dbraw/zinc/17/47/50/858174750.db2.gz IRCMVSFBWYGZCR-KUHUBIRLSA-N -1 1 404.507 4.196 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CC[C@H](C)C3)c2)cc1 ZINC000430474192 858185829 /nfs/dbraw/zinc/18/58/29/858185829.db2.gz DOPIPCDNFXDDFN-LPHOPBHVSA-N -1 1 416.543 4.147 20 0 HIADMM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1nc2ccccn2n1 ZINC000430830842 858320800 /nfs/dbraw/zinc/32/08/00/858320800.db2.gz QVCUUAMVRWNXLX-UHFFFAOYSA-N -1 1 416.268 5.067 20 0 HIADMM Cc1cc(-c2ncccc2NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cs1 ZINC000437676595 863017863 /nfs/dbraw/zinc/01/78/63/863017863.db2.gz UOTAFXZOQHVLHD-UHFFFAOYSA-N -1 1 408.888 4.271 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2cc([O-])c(Br)cc2Br)cc1 ZINC000430988201 858393767 /nfs/dbraw/zinc/39/37/67/858393767.db2.gz NBJVLIMKPDEMEK-UHFFFAOYSA-N -1 1 421.110 4.026 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cc(Br)sc1Cl ZINC000431150972 858472317 /nfs/dbraw/zinc/47/23/17/858472317.db2.gz HXBNTNOWBAWGOT-UHFFFAOYSA-N -1 1 406.632 4.382 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cccc(Br)c1Cl ZINC000431182376 858492058 /nfs/dbraw/zinc/49/20/58/858492058.db2.gz UWBBNLUNFDAKTA-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1 ZINC000431272581 858541898 /nfs/dbraw/zinc/54/18/98/858541898.db2.gz XVJRQQBCXXWZKU-GXTWGEPZSA-N -1 1 421.868 4.192 20 0 HIADMM C[C@H](Oc1ccccc1)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431458121 858626958 /nfs/dbraw/zinc/62/69/58/858626958.db2.gz NXJVANFBYPLVBN-VIFPVBQESA-N -1 1 415.081 4.323 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431890380 858858320 /nfs/dbraw/zinc/85/83/20/858858320.db2.gz DGQIMICEXAIAML-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM Cc1cc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)c(C)c4)cc3)n2)ccn1 ZINC000432683284 859292553 /nfs/dbraw/zinc/29/25/53/859292553.db2.gz XAFOBLWDPRXXLM-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC)c(OCCC(C)C)c2)[n-]c1=O ZINC000432710802 859311021 /nfs/dbraw/zinc/31/10/21/859311021.db2.gz XKANCCYMJRDEIG-PTNGSMBKSA-N -1 1 400.475 4.353 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C)C(C)=O ZINC000432761039 859340428 /nfs/dbraw/zinc/34/04/28/859340428.db2.gz QJZOPFFPLWITMX-UHFFFAOYSA-N -1 1 418.559 4.296 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)cc1Cl ZINC000432771441 859351370 /nfs/dbraw/zinc/35/13/70/859351370.db2.gz LHKSPUSUXLORCX-UHFFFAOYSA-N -1 1 410.923 4.361 20 0 HIADMM CCC(CC)n1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000432786595 859359349 /nfs/dbraw/zinc/35/93/49/859359349.db2.gz YEPGYMAISPKOHQ-UHFFFAOYSA-N -1 1 412.515 4.297 20 0 HIADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(-c3ccc(Cl)s3)cn2)cc1 ZINC000433132143 859533584 /nfs/dbraw/zinc/53/35/84/859533584.db2.gz LWMKYKLJRRYOFO-UHFFFAOYSA-N -1 1 422.915 4.192 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Br)cc1 ZINC000433808129 859904129 /nfs/dbraw/zinc/90/41/29/859904129.db2.gz NWHZZCAWFUQPPV-UHFFFAOYSA-N -1 1 420.712 4.311 20 0 HIADMM COc1cc(NC(=O)Nc2ccc(OCCC(C)C)cc2)ccc1[N-]S(C)(=O)=O ZINC000467690862 881484321 /nfs/dbraw/zinc/48/43/21/881484321.db2.gz JLKXLLRNZPQJAJ-UHFFFAOYSA-N -1 1 421.519 4.136 20 0 HIADMM Cc1ccc(NC(=O)CCOCC2CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000434229589 860214512 /nfs/dbraw/zinc/21/45/12/860214512.db2.gz SSLFHFAQIPXYOC-UHFFFAOYSA-N -1 1 422.934 4.204 20 0 HIADMM CCSCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000434299414 860262965 /nfs/dbraw/zinc/26/29/65/860262965.db2.gz KEOHSQWDZACHCR-KRWDZBQOSA-N -1 1 420.600 4.400 20 0 HIADMM COc1ccc(NC(=O)c2sc3cc(C)c(C)cc3c2C)cc1[N-]S(C)(=O)=O ZINC000434351284 860306822 /nfs/dbraw/zinc/30/68/22/860306822.db2.gz BEIDWNVEUVGGFK-UHFFFAOYSA-N -1 1 418.540 4.459 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1 ZINC000435131908 860656097 /nfs/dbraw/zinc/65/60/97/860656097.db2.gz GIWZTLHDTJEYNI-UHFFFAOYSA-N -1 1 413.524 4.016 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(CN(C)Cc3cscn3)c2)c1 ZINC000435175779 860679451 /nfs/dbraw/zinc/67/94/51/860679451.db2.gz FIXCGKDMQMZTBB-UHFFFAOYSA-N -1 1 401.557 4.138 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)ccc1Br ZINC000435226612 860699836 /nfs/dbraw/zinc/69/98/36/860699836.db2.gz PKQRPDZCXBDNLD-GXSJLCMTSA-N -1 1 418.250 4.235 20 0 HIADMM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1sccc1Br ZINC000435441757 860799630 /nfs/dbraw/zinc/79/96/30/860799630.db2.gz HNYIKLGAXWZHAO-RDDDGLTNSA-N -1 1 410.717 4.138 20 0 HIADMM Cc1noc(C)c1C(C)(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000435536613 860851177 /nfs/dbraw/zinc/85/11/77/860851177.db2.gz UTUQIHYJWWUYPL-UHFFFAOYSA-N -1 1 413.499 4.009 20 0 HIADMM CCCSCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438054697 863422620 /nfs/dbraw/zinc/42/26/20/863422620.db2.gz XAGQDDHOXDFETM-UHFFFAOYSA-N -1 1 416.927 4.362 20 0 HIADMM Cc1cccnc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438056879 863426176 /nfs/dbraw/zinc/42/61/76/863426176.db2.gz IYORFZGGJXMPFF-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000438614965 864039909 /nfs/dbraw/zinc/03/99/09/864039909.db2.gz WWKVQYHULBXYJS-KRWDZBQOSA-N -1 1 414.449 4.194 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(OC)c4ccccc43)cc2)o1 ZINC000438721928 864204914 /nfs/dbraw/zinc/20/49/14/864204914.db2.gz KGYBUAAXGRGQGI-UHFFFAOYSA-N -1 1 409.467 4.262 20 0 HIADMM CCOc1cc(-c2noc(Cc3cc(F)ccc3F)n2)cc(Br)c1[O-] ZINC000438748033 864237750 /nfs/dbraw/zinc/23/77/50/864237750.db2.gz QCRYFZBBTWKLQR-UHFFFAOYSA-N -1 1 411.202 4.472 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccc([S@@](C)=O)cc3)cc2)c1 ZINC000438766703 864263175 /nfs/dbraw/zinc/26/31/75/864263175.db2.gz YFQNCWBRZRVIGA-AREMUKBSSA-N -1 1 401.509 4.326 20 0 HIADMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000438771730 864266075 /nfs/dbraw/zinc/26/60/75/864266075.db2.gz OIXKJFITDAIPNA-RUZDIDTESA-N -1 1 408.570 4.132 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)cc1 ZINC000438772381 864267777 /nfs/dbraw/zinc/26/77/77/864267777.db2.gz JSEQSDUXJFANHY-UHFFFAOYSA-N -1 1 418.858 4.115 20 0 HIADMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cccc(F)c3C)cc2s1 ZINC000438790404 864283326 /nfs/dbraw/zinc/28/33/26/864283326.db2.gz HVSBCTXXRHSQNF-UHFFFAOYSA-N -1 1 407.492 4.283 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1Cl ZINC000438811227 864301865 /nfs/dbraw/zinc/30/18/65/864301865.db2.gz MARAZEOQRLSXHU-UHFFFAOYSA-N -1 1 404.831 4.026 20 0 HIADMM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000438991715 864450498 /nfs/dbraw/zinc/45/04/98/864450498.db2.gz ABQJNIDVVIAGPC-GFCCVEGCSA-N -1 1 421.544 4.144 20 0 HIADMM O=S(=O)([N-]Cc1nc(-c2cccs2)c[nH]1)c1c(Cl)cccc1C(F)(F)F ZINC000439188554 864616225 /nfs/dbraw/zinc/61/62/25/864616225.db2.gz KCWUARJYHNDMCO-UHFFFAOYSA-N -1 1 421.853 4.289 20 0 HIADMM C[C@H](Sc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1 ZINC000439574845 864896359 /nfs/dbraw/zinc/89/63/59/864896359.db2.gz VEZUHFGIVOMMHU-HNNXBMFYSA-N -1 1 412.536 4.440 20 0 HIADMM O=C(CCc1ccoc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000439666648 864997032 /nfs/dbraw/zinc/99/70/32/864997032.db2.gz PFXWPQWSOSVGHJ-UHFFFAOYSA-N -1 1 404.875 4.305 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000439801695 865119854 /nfs/dbraw/zinc/11/98/54/865119854.db2.gz QPHODXHOLIXPRK-GDBMZVCRSA-N -1 1 404.507 4.196 20 0 HIADMM CCC[C@H](C)c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n[nH]1 ZINC000439916190 865223280 /nfs/dbraw/zinc/22/32/80/865223280.db2.gz FFXZICHPYHIVQI-HNNXBMFYSA-N -1 1 412.515 4.366 20 0 HIADMM COc1ccc(C[C@H]2CCCN(C(=O)c3cc(Br)ccc3[O-])C2)cc1 ZINC000439965487 865257776 /nfs/dbraw/zinc/25/77/76/865257776.db2.gz QAIRRIMQAKCEIH-OAHLLOKOSA-N -1 1 404.304 4.258 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000439973347 865266419 /nfs/dbraw/zinc/26/64/19/865266419.db2.gz SIIJRFDUJYNKBY-QVKFZJNVSA-N -1 1 422.431 4.284 20 0 HIADMM CSc1nsc([N-]C(=O)c2csc(-c3ccc(Br)s3)n2)n1 ZINC000440073519 865339535 /nfs/dbraw/zinc/33/95/35/865339535.db2.gz FZRYCVCSVDHBNF-UHFFFAOYSA-N -1 1 419.376 4.460 20 0 HIADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000440125677 865371208 /nfs/dbraw/zinc/37/12/08/865371208.db2.gz ZVXJDDDPINZKEB-FAGZOMQFSA-N -1 1 406.526 4.235 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c(C)c1 ZINC000440295157 865549074 /nfs/dbraw/zinc/54/90/74/865549074.db2.gz MHPFOBFPURMGOG-HNNXBMFYSA-N -1 1 416.543 4.038 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000440402066 865693972 /nfs/dbraw/zinc/69/39/72/865693972.db2.gz GCKAHHFYQFMGQW-ZBFHGGJFSA-N -1 1 404.507 4.196 20 0 HIADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000440403580 865694916 /nfs/dbraw/zinc/69/49/16/865694916.db2.gz FRGIXMHAISDGKB-HUUCEWRRSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCC(F)(F)F)cc2)ccc1F ZINC000440527286 865805200 /nfs/dbraw/zinc/80/52/00/865805200.db2.gz BCHLBNHLYVOAMV-UHFFFAOYSA-N -1 1 418.412 4.007 20 0 HIADMM COCc1nc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c(-c2ccccc2)s1 ZINC000441079114 866173254 /nfs/dbraw/zinc/17/32/54/866173254.db2.gz KZBANWYDBVKPDM-UHFFFAOYSA-N -1 1 414.434 4.165 20 0 HIADMM CCc1ncsc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000441885477 866950622 /nfs/dbraw/zinc/95/06/22/866950622.db2.gz QHYOVSVNOWZZNC-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(F)cc2)cc1 ZINC000442348542 867339155 /nfs/dbraw/zinc/33/91/55/867339155.db2.gz JNEJEGJVQCLRSP-UHFFFAOYSA-N -1 1 416.449 4.134 20 0 HIADMM C[C@H](Sc1ccccn1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000442393855 867376707 /nfs/dbraw/zinc/37/67/07/867376707.db2.gz QLOUVEUEMYYPAM-HNNXBMFYSA-N -1 1 413.524 4.002 20 0 HIADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000442821215 867686389 /nfs/dbraw/zinc/68/63/89/867686389.db2.gz BFPGWJTVPKMCRS-UHFFFAOYSA-N -1 1 403.909 4.085 20 0 HIADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3-c3ccccc3)ccc21 ZINC000442836759 867693857 /nfs/dbraw/zinc/69/38/57/867693857.db2.gz IFSUPODTNHNRBP-UHFFFAOYSA-N -1 1 412.898 4.327 20 0 HIADMM COc1cc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000442963655 867767086 /nfs/dbraw/zinc/76/70/86/867767086.db2.gz GQYUYWCAHNSBBW-UHFFFAOYSA-N -1 1 414.864 4.473 20 0 HIADMM COc1cc(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)cc(Cl)c1[O-] ZINC000443052800 867803534 /nfs/dbraw/zinc/80/35/34/867803534.db2.gz AOVVTPQEJCCGPZ-SECBINFHSA-N -1 1 416.674 4.317 20 0 HIADMM O=c1[nH]c(Cc2cccc(Br)c2[O-])nc2ccc(Br)cc12 ZINC000443056937 867805272 /nfs/dbraw/zinc/80/52/72/867805272.db2.gz IHFJTOZYPCHKOP-UHFFFAOYSA-N -1 1 410.065 4.157 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc(Cl)c1[O-] ZINC000443064819 867808311 /nfs/dbraw/zinc/80/83/11/867808311.db2.gz YYFIJTHTGQSHKV-JTQLQIEISA-N -1 1 405.813 4.043 20 0 HIADMM CCOc1cc(-c2nc(CC(=O)Nc3ccc(Cl)cc3)no2)cc(Cl)c1[O-] ZINC000443090167 867816699 /nfs/dbraw/zinc/81/66/99/867816699.db2.gz WGUSNAJXOFTRFK-UHFFFAOYSA-N -1 1 408.241 4.329 20 0 HIADMM COc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)cc(Cl)c1[O-] ZINC000443324624 867903987 /nfs/dbraw/zinc/90/39/87/867903987.db2.gz YJESGZDVEFKKJG-UHFFFAOYSA-N -1 1 418.877 4.078 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3)ccc2C)c1 ZINC000443398152 867956403 /nfs/dbraw/zinc/95/64/03/867956403.db2.gz HLSFWSZJAZSJRR-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(-c4cncnc4)cc3)c2)n1 ZINC000443407657 867987290 /nfs/dbraw/zinc/98/72/90/867987290.db2.gz QJVFTMYRGIXNGT-UHFFFAOYSA-N -1 1 408.508 4.376 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(-n4cccn4)ccc3C)c2)n1 ZINC000443412123 867994464 /nfs/dbraw/zinc/99/44/64/867994464.db2.gz ZDIZSPQPVIHKGR-UHFFFAOYSA-N -1 1 410.524 4.413 20 0 HIADMM COC(=O)Cc1ccc(Oc2ccnc(-c3nc4cc(F)c(F)cc4c(=O)[n-]3)c2)cc1 ZINC000443411516 867995696 /nfs/dbraw/zinc/99/56/96/867995696.db2.gz WEOQHZMXUFBPCJ-UHFFFAOYSA-N -1 1 423.375 4.183 20 0 HIADMM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc(Br)c(Cl)c1 ZINC000443418561 868001650 /nfs/dbraw/zinc/00/16/50/868001650.db2.gz NQKJLSSTDFYVDE-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000443528011 868086052 /nfs/dbraw/zinc/08/60/52/868086052.db2.gz IEAJJNNLMJWAPE-KRWDZBQOSA-N -1 1 423.538 4.362 20 0 HIADMM Cc1sc(CCNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)nc1-c1ccccc1 ZINC000443540233 868097388 /nfs/dbraw/zinc/09/73/88/868097388.db2.gz QPDKUMVCIPTNBZ-UHFFFAOYSA-N -1 1 410.543 4.193 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@](C)(CC)C3)c2)cc1 ZINC000468251215 882157801 /nfs/dbraw/zinc/15/78/01/882157801.db2.gz PLHYOSGRIUCXER-QFIPXVFZSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1cc(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc(C)c1O ZINC000443603041 868161916 /nfs/dbraw/zinc/16/19/16/868161916.db2.gz QFHWETHBKQUHDT-UHFFFAOYSA-N -1 1 411.483 4.454 20 0 HIADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(F)cc(Br)cc1F ZINC000443874767 868406272 /nfs/dbraw/zinc/40/62/72/868406272.db2.gz BRCAYCFEVUYORL-UHFFFAOYSA-N -1 1 408.202 4.174 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000443927748 868465916 /nfs/dbraw/zinc/46/59/16/868465916.db2.gz KHEIWGQRKOMHNY-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM COc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)cc1[N-]S(C)(=O)=O ZINC000444015944 868540799 /nfs/dbraw/zinc/54/07/99/868540799.db2.gz BROYETYJFDWWNL-HUUCEWRRSA-N -1 1 411.568 4.183 20 0 HIADMM CC(C)OCCCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444192208 868658612 /nfs/dbraw/zinc/65/86/12/868658612.db2.gz KCIGDLKMMUYSNS-UHFFFAOYSA-N -1 1 419.168 4.239 20 0 HIADMM COc1ccccc1SCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444356104 868782095 /nfs/dbraw/zinc/78/20/95/868782095.db2.gz CFFRGUZSNTZSEC-UHFFFAOYSA-N -1 1 414.527 4.194 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1csc([C@H]2CCCO2)n1 ZINC000444358108 868784356 /nfs/dbraw/zinc/78/43/56/868784356.db2.gz AFHAIUFHDQLSIW-GOSISDBHSA-N -1 1 415.515 4.015 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ncccc1C(F)(F)F ZINC000444378435 868801219 /nfs/dbraw/zinc/80/12/19/868801219.db2.gz ICWRGCVPCCMFSP-UHFFFAOYSA-N -1 1 407.392 4.121 20 0 HIADMM Cc1cccc2[nH]c(CCC(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)nc21 ZINC000444385398 868803455 /nfs/dbraw/zinc/80/34/55/868803455.db2.gz TYRLQJQLEJLYEU-UHFFFAOYSA-N -1 1 420.513 4.211 20 0 HIADMM CC(C)n1ncc2cc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)cnc21 ZINC000444394525 868807536 /nfs/dbraw/zinc/80/75/36/868807536.db2.gz UHULBJIHQRZPIU-UHFFFAOYSA-N -1 1 421.501 4.033 20 0 HIADMM CC(C)N(CC1CCC1)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000444523936 868868456 /nfs/dbraw/zinc/86/84/56/868868456.db2.gz GVRBJWAQPNHWJN-UHFFFAOYSA-N -1 1 418.534 4.206 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)n1 ZINC000444756195 868988436 /nfs/dbraw/zinc/98/84/36/868988436.db2.gz QWYIVRYDYKVSDU-UHFFFAOYSA-N -1 1 410.518 4.049 20 0 HIADMM COc1cc(NC(=O)NC(C)(C)CC2CCCCCC2)ccc1[N-]S(C)(=O)=O ZINC000444858242 869060539 /nfs/dbraw/zinc/06/05/39/869060539.db2.gz KNUZAGHZTDGKHP-UHFFFAOYSA-N -1 1 411.568 4.327 20 0 HIADMM COc1cccc([C@H]2C[C@H]2c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1 ZINC000445390191 869476093 /nfs/dbraw/zinc/47/60/93/869476093.db2.gz HVJYASJQHMVKMS-ZIAGYGMSSA-N -1 1 417.259 4.493 20 0 HIADMM COc1cc(-c2noc(-c3ccc4c(c3)OCCCO4)n2)cc(Br)c1[O-] ZINC000445393116 869478778 /nfs/dbraw/zinc/47/87/78/869478778.db2.gz OOFISVIQHRTDIG-UHFFFAOYSA-N -1 1 419.231 4.042 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4cnccc4C)no3)c2)cc1 ZINC000445393642 869478895 /nfs/dbraw/zinc/47/88/95/869478895.db2.gz QOKQUHQCBSRIIP-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM COc1ccc(CCc2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000445394837 869480183 /nfs/dbraw/zinc/48/01/83/869480183.db2.gz UWGHHWBUKWDKRN-UHFFFAOYSA-N -1 1 405.248 4.007 20 0 HIADMM CCC(CC)n1nccc1-c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445395594 869481345 /nfs/dbraw/zinc/48/13/45/869481345.db2.gz XBSUAXCAHVNHFM-UHFFFAOYSA-N -1 1 407.268 4.438 20 0 HIADMM COc1ccc(CCCc2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000445396725 869483016 /nfs/dbraw/zinc/48/30/16/869483016.db2.gz YPASHUXIXUYWLS-UHFFFAOYSA-N -1 1 419.275 4.397 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc(NC(=O)N(C)C)c3)n2)cc(Cl)c1[O-] ZINC000445410405 869494598 /nfs/dbraw/zinc/49/45/98/869494598.db2.gz HKEUZIUPPCHTSO-UHFFFAOYSA-N -1 1 402.838 4.255 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc(Cl)c1[O-] ZINC000445430503 869514688 /nfs/dbraw/zinc/51/46/88/869514688.db2.gz HXAMAXSKJXONOH-OAHLLOKOSA-N -1 1 413.861 4.010 20 0 HIADMM CCc1ccc(-c2csc(NC(=O)Cc3noc(-c4cc(F)ccc4[O-])n3)n2)cc1 ZINC000445431292 869515663 /nfs/dbraw/zinc/51/56/63/869515663.db2.gz NCHDGTDVMFGUED-UHFFFAOYSA-N -1 1 424.457 4.448 20 0 HIADMM O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000445446299 869527799 /nfs/dbraw/zinc/52/77/99/869527799.db2.gz DCSOCZQESZBVKV-ZDUSSCGKSA-N -1 1 401.825 4.255 20 0 HIADMM COc1cc(CCc2nc(-c3ccc([O-])c(F)c3)no2)ccc1OCC(F)(F)F ZINC000445476902 869550469 /nfs/dbraw/zinc/55/04/69/869550469.db2.gz JRNCFHAMVAWGLR-UHFFFAOYSA-N -1 1 412.339 4.316 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(C3CCSCC3)no2)c1)c1ccccc1 ZINC000445530653 869586941 /nfs/dbraw/zinc/58/69/41/869586941.db2.gz GEIFICVDKKBWDO-UHFFFAOYSA-N -1 1 401.513 4.148 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC(Cc1ccccc1)Cc1ccccc1 ZINC000468451636 882389422 /nfs/dbraw/zinc/38/94/22/882389422.db2.gz PJQCWWXFDOCSTP-UHFFFAOYSA-N -1 1 407.539 4.044 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)n[nH]2)c(Cl)c1Cl ZINC000446620345 870523309 /nfs/dbraw/zinc/52/33/09/870523309.db2.gz ORIZNCILBIIFQY-UHFFFAOYSA-N -1 1 402.259 4.094 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2ncc3n2CCCC3)c1)c1cccc2cnccc21 ZINC000446966092 870866242 /nfs/dbraw/zinc/86/62/42/870866242.db2.gz PGHDFLGEAYWSDE-UHFFFAOYSA-N -1 1 404.495 4.235 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)ccc1Cl)C(C)C ZINC000447268291 871155538 /nfs/dbraw/zinc/15/55/38/871155538.db2.gz UGKAXPYFSASSEW-UHFFFAOYSA-N -1 1 412.914 4.459 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 ZINC000447276850 871167277 /nfs/dbraw/zinc/16/72/77/871167277.db2.gz DGPQNEIMCHFING-UHFFFAOYSA-N -1 1 404.557 4.144 20 0 HIADMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000447341777 871240404 /nfs/dbraw/zinc/24/04/04/871240404.db2.gz QFAQJEJUBUZYJI-UHFFFAOYSA-N -1 1 402.903 4.352 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc(OC)c1OC ZINC000447344270 871244740 /nfs/dbraw/zinc/24/47/40/871244740.db2.gz WGWJNQRGTSXWNJ-UHFFFAOYSA-N -1 1 407.875 4.320 20 0 HIADMM O=S(=O)(Cc1csc(-c2cccs2)n1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447492112 871373490 /nfs/dbraw/zinc/37/34/90/871373490.db2.gz RAOZYNBKOVYFIQ-UHFFFAOYSA-N -1 1 405.501 4.375 20 0 HIADMM O=S(=O)(Cc1csc(-c2cccs2)n1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447492112 871373510 /nfs/dbraw/zinc/37/35/10/871373510.db2.gz RAOZYNBKOVYFIQ-UHFFFAOYSA-N -1 1 405.501 4.375 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCSC(C)(C)CC3)c2)c1 ZINC000447640515 871559533 /nfs/dbraw/zinc/55/95/33/871559533.db2.gz KPPMQLZUVPZGCX-UHFFFAOYSA-N -1 1 418.584 4.154 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2)cc1 ZINC000447644435 871566375 /nfs/dbraw/zinc/56/63/75/871566375.db2.gz WHSRBZZLDSZOKO-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C(CC)(CC)c3ccccc3)c2)n1 ZINC000447679986 871611103 /nfs/dbraw/zinc/61/11/03/871611103.db2.gz PPCOVHHDMQOTDV-UHFFFAOYSA-N -1 1 420.513 4.023 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1C(F)(F)F ZINC000447782036 871711705 /nfs/dbraw/zinc/71/17/05/871711705.db2.gz DZPYGDLZLWYQLM-UHFFFAOYSA-N -1 1 422.384 4.234 20 0 HIADMM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447794180 871729676 /nfs/dbraw/zinc/72/96/76/871729676.db2.gz JJOFAIRRQDYXGL-UHFFFAOYSA-N -1 1 401.284 4.127 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cc1OC ZINC000447864454 871789321 /nfs/dbraw/zinc/78/93/21/871789321.db2.gz QZAXLCFAORWBOF-ZDUSSCGKSA-N -1 1 403.850 4.003 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N(C)C)c1 ZINC000448053006 871882868 /nfs/dbraw/zinc/88/28/68/871882868.db2.gz XRKSFNKZBKSQSY-UHFFFAOYSA-N -1 1 400.422 4.165 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)c1 ZINC000448053338 871884100 /nfs/dbraw/zinc/88/41/00/871884100.db2.gz HQDQRNPDZIRQPB-UHFFFAOYSA-N -1 1 405.526 4.083 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ncc4n3CCCC4)cc2)c1 ZINC000448112920 871964049 /nfs/dbraw/zinc/96/40/49/871964049.db2.gz HQPCEPIVYIUKHR-UHFFFAOYSA-N -1 1 409.511 4.280 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1Br ZINC000448116120 871976571 /nfs/dbraw/zinc/97/65/71/871976571.db2.gz KSKNMCQOWKBYDO-UHFFFAOYSA-N -1 1 413.312 4.298 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)c(Cl)c1)c1ccc2c(c1)OCCCO2 ZINC000448131660 872004402 /nfs/dbraw/zinc/00/44/02/872004402.db2.gz ZPTBGLZKZLJUHF-UHFFFAOYSA-N -1 1 418.696 4.065 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC(F)(F)F)ccc1C(=O)[O-] ZINC000448549727 872555873 /nfs/dbraw/zinc/55/58/73/872555873.db2.gz GSEFNFJMUUYAJA-UHFFFAOYSA-N -1 1 409.769 4.046 20 0 HIADMM COc1cc(C(=O)NCc2ccc(Br)cc2Cl)cc(Cl)c1[O-] ZINC000460184305 872748506 /nfs/dbraw/zinc/74/85/06/872748506.db2.gz GMOJQHFPZHDNGI-UHFFFAOYSA-N -1 1 405.075 4.400 20 0 HIADMM COc1cc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000460204114 872782958 /nfs/dbraw/zinc/78/29/58/872782958.db2.gz SZUDMJKNXWZWNI-KBPBESRZSA-N -1 1 416.905 4.425 20 0 HIADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc(OCC(F)F)c2ccccc21 ZINC000460437884 873104900 /nfs/dbraw/zinc/10/49/00/873104900.db2.gz NKLSWZJZLCYUOU-UHFFFAOYSA-N -1 1 415.421 4.228 20 0 HIADMM CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000460443297 873112383 /nfs/dbraw/zinc/11/23/83/873112383.db2.gz KKFZUSYFOHNASZ-HNNXBMFYSA-N -1 1 407.495 4.480 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(OCC(F)F)c2ccccc21 ZINC000460444712 873113381 /nfs/dbraw/zinc/11/33/81/873113381.db2.gz CHGCWSOAQOYVHU-UHFFFAOYSA-N -1 1 405.422 4.219 20 0 HIADMM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)cn2)cc1 ZINC000460821787 873704163 /nfs/dbraw/zinc/70/41/63/873704163.db2.gz BSKJPIMWSUXBFB-UHFFFAOYSA-N -1 1 402.447 4.439 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)Cc2cccs2)cc(C)c1F ZINC000460837351 873725802 /nfs/dbraw/zinc/72/58/02/873725802.db2.gz SOUCGCJQRNCCEA-UHFFFAOYSA-N -1 1 418.515 4.486 20 0 HIADMM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000460973485 873868570 /nfs/dbraw/zinc/86/85/70/873868570.db2.gz WTOWRVNGJPDYIQ-UHFFFAOYSA-N -1 1 403.792 4.104 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1Br ZINC000461339888 874349987 /nfs/dbraw/zinc/34/99/87/874349987.db2.gz GGDRNFRLUBWEIM-UHFFFAOYSA-N -1 1 423.332 4.476 20 0 HIADMM CC(C)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000461411645 874428738 /nfs/dbraw/zinc/42/87/38/874428738.db2.gz QCLGLNSKUNAJME-UHFFFAOYSA-N -1 1 404.507 4.135 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(C(C)C)CC3)c2)cc1 ZINC000461421116 874447939 /nfs/dbraw/zinc/44/79/39/874447939.db2.gz ODBLUHHFPHTJQR-UHFFFAOYSA-N -1 1 400.544 4.304 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000461442991 874499043 /nfs/dbraw/zinc/49/90/43/874499043.db2.gz JMRAHNKJZCBMKX-QVEDNJKPSA-N -1 1 412.921 4.151 20 0 HIADMM COC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000462302154 875423100 /nfs/dbraw/zinc/42/31/00/875423100.db2.gz WAEQIAKLMINYNP-GJZGRUSLSA-N -1 1 424.950 4.306 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000462461941 875568344 /nfs/dbraw/zinc/56/83/44/875568344.db2.gz ZMFVOCQFBLSLJC-DTWKUNHWSA-N -1 1 406.289 4.218 20 0 HIADMM CCc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)cc1 ZINC000462481596 875591625 /nfs/dbraw/zinc/59/16/25/875591625.db2.gz SNCYLJGILPFNSH-SNVBAGLBSA-N -1 1 416.877 4.179 20 0 HIADMM CC(C)C[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000462779306 875835844 /nfs/dbraw/zinc/83/58/44/875835844.db2.gz OPCKNYBEWBXULU-ZDUSSCGKSA-N -1 1 410.923 4.467 20 0 HIADMM COc1ccc(C[C@@H]2CCCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)cc1 ZINC000462870749 875900600 /nfs/dbraw/zinc/90/06/00/875900600.db2.gz AEPHEZCLOSAYJA-IBGZPJMESA-N -1 1 404.514 4.329 20 0 HIADMM O=C(NCc1ccc(C(F)F)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000462917845 875944273 /nfs/dbraw/zinc/94/42/73/875944273.db2.gz AABUYXJBWDDCIP-UHFFFAOYSA-N -1 1 416.449 4.355 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C ZINC000463061206 876090159 /nfs/dbraw/zinc/09/01/59/876090159.db2.gz NORLEWFQWAXSGH-CVDCTZTESA-N -1 1 416.525 4.171 20 0 HIADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000463234873 876290157 /nfs/dbraw/zinc/29/01/57/876290157.db2.gz BBBXJURYQVJZRO-SNVBAGLBSA-N -1 1 406.813 4.278 20 0 HIADMM O=S(=O)([N-]Cc1ccc(Oc2cccc(F)c2)nc1)c1c(F)cccc1Cl ZINC000463688238 876808122 /nfs/dbraw/zinc/80/81/22/876808122.db2.gz SFIDHCZFPWSQMV-UHFFFAOYSA-N -1 1 410.829 4.284 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)cc1Cl ZINC000463781399 876900431 /nfs/dbraw/zinc/90/04/31/876900431.db2.gz LMJAROVNPJYGGO-UHFFFAOYSA-N -1 1 408.936 4.265 20 0 HIADMM CCc1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)s1 ZINC000464086631 877239760 /nfs/dbraw/zinc/23/97/60/877239760.db2.gz JJTZDYFAXPHZOX-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM CCc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)s1 ZINC000464089075 877243158 /nfs/dbraw/zinc/24/31/58/877243158.db2.gz VFONHGRBJURLCJ-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM O=S(=O)([N-][C@H](c1cccnc1)C1CC1)c1c(Cl)cc(F)cc1Br ZINC000503245033 912225312 /nfs/dbraw/zinc/22/53/12/912225312.db2.gz UUYHVZPEFKZPCO-AWEZNQCLSA-N -1 1 419.703 4.066 20 0 HIADMM O=S(=O)([N-]Cc1csc(CCc2ccccc2)n1)c1c(F)cccc1Cl ZINC000464203828 877374238 /nfs/dbraw/zinc/37/42/38/877374238.db2.gz CRMXJAHKGBRSHB-UHFFFAOYSA-N -1 1 410.923 4.199 20 0 HIADMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000464369524 877568662 /nfs/dbraw/zinc/56/86/62/877568662.db2.gz YNKVWIZSTQSXKT-LURJTMIESA-N -1 1 414.165 4.087 20 0 HIADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000464533075 877748581 /nfs/dbraw/zinc/74/85/81/877748581.db2.gz QQRCOEYJZLFYQV-UTKZUKDTSA-N -1 1 416.543 4.411 20 0 HIADMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1Cl ZINC000464535802 877750550 /nfs/dbraw/zinc/75/05/50/877750550.db2.gz QXAIJGVWIVSXBA-UHFFFAOYSA-N -1 1 413.282 4.034 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000464582541 877805738 /nfs/dbraw/zinc/80/57/38/877805738.db2.gz OAUQPVZNCKEKDA-NRFANRHFSA-N -1 1 422.497 4.418 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC000464605338 877834676 /nfs/dbraw/zinc/83/46/76/877834676.db2.gz ZJJFVBADFGVOGX-JOCHJYFZSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCC2(C1)CCCCCC2 ZINC000464679688 877896169 /nfs/dbraw/zinc/89/61/69/877896169.db2.gz WXZSHADGCIYMGQ-UHFFFAOYSA-N -1 1 408.546 4.448 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000464694689 877910090 /nfs/dbraw/zinc/91/00/90/877910090.db2.gz XAJJVTMYYKQQPU-QGZVFWFLSA-N -1 1 420.600 4.366 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000464696216 877911128 /nfs/dbraw/zinc/91/11/28/877911128.db2.gz MCMOUTBWNCEWQB-INIZCTEOSA-N -1 1 406.573 4.057 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1 ZINC000464830261 878084445 /nfs/dbraw/zinc/08/44/45/878084445.db2.gz LLOAIPVLTRMCNK-UHFFFAOYSA-N -1 1 412.433 4.109 20 0 HIADMM CCO[C@@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1=CCCC1 ZINC000465055251 878417842 /nfs/dbraw/zinc/41/78/42/878417842.db2.gz KXWPHDAVTYCNCU-NRFANRHFSA-N -1 1 414.527 4.331 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)o1 ZINC000465146345 878526652 /nfs/dbraw/zinc/52/66/52/878526652.db2.gz LJBXOJLRQMHEFD-UHFFFAOYSA-N -1 1 418.437 4.104 20 0 HIADMM Cc1ccc(C(=O)Nc2cccnc2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000465283138 878719420 /nfs/dbraw/zinc/71/94/20/878719420.db2.gz CQIILYWBXBFCRB-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)C[C@H]3CC)cc2)cc1 ZINC000465292172 878729766 /nfs/dbraw/zinc/72/97/66/878729766.db2.gz SCIPMMOAIQNULD-QFBILLFUSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](CC(C)C)C3)c2)cc1 ZINC000465299633 878743980 /nfs/dbraw/zinc/74/39/80/878743980.db2.gz CPNRRISQPHHQSP-GOSISDBHSA-N -1 1 400.544 4.304 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)N1CCCc2ccccc21 ZINC000503423931 912416573 /nfs/dbraw/zinc/41/65/73/912416573.db2.gz UWJRSLZDPWRQSS-UHFFFAOYSA-N -1 1 424.497 4.148 20 0 HIADMM COc1cc(NC(=O)C2(c3ccccc3C)CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000503527865 912580378 /nfs/dbraw/zinc/58/03/78/912580378.db2.gz OYOLZRWLIRYWQX-UHFFFAOYSA-N -1 1 416.543 4.216 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466959208 880744096 /nfs/dbraw/zinc/74/40/96/880744096.db2.gz GXKBDVMLNIXHCN-NSHDSACASA-N -1 1 420.289 4.349 20 0 HIADMM O=C(CCCC1CCOCC1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000467069008 880849310 /nfs/dbraw/zinc/84/93/10/880849310.db2.gz OFIFSNXSDMNGQB-UHFFFAOYSA-N -1 1 420.506 4.162 20 0 HIADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000467084124 880854074 /nfs/dbraw/zinc/85/40/74/880854074.db2.gz WYBRCEYBFCJZMG-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)c2cc3c(cc2F)NC(=O)CC3)nc1-c1ccccc1 ZINC000467202201 880931342 /nfs/dbraw/zinc/93/13/42/880931342.db2.gz QRJWZCVWLXLYFN-UHFFFAOYSA-N -1 1 423.469 4.156 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)N[C@H]2CCCc3ccccc32)nc1-c1ccccc1 ZINC000467205780 880935638 /nfs/dbraw/zinc/93/56/38/880935638.db2.gz HWDDCFMBEZBTPZ-IBGZPJMESA-N -1 1 405.523 4.444 20 0 HIADMM CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467210742 880940385 /nfs/dbraw/zinc/94/03/85/880940385.db2.gz HJNKVRAPUHOBJI-OAHLLOKOSA-N -1 1 407.495 4.480 20 0 HIADMM CCOCc1ccc(CNC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000467211065 880940517 /nfs/dbraw/zinc/94/05/17/880940517.db2.gz JEVNYWTUVHVMPK-UHFFFAOYSA-N -1 1 423.538 4.103 20 0 HIADMM CCC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000467274078 881017308 /nfs/dbraw/zinc/01/73/08/881017308.db2.gz DNONCEKFBCWBEX-SFHVURJKSA-N -1 1 400.544 4.448 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)cc1C(F)(F)F)c1ccc2c(c1)CCO2 ZINC000467427504 881218416 /nfs/dbraw/zinc/21/84/16/881218416.db2.gz GSCGEUSXNAADES-UHFFFAOYSA-N -1 1 422.222 4.204 20 0 HIADMM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000467430916 881227996 /nfs/dbraw/zinc/22/79/96/881227996.db2.gz YCCZRZFGHNZLBG-AWEZNQCLSA-N -1 1 424.364 4.332 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1csc(Cl)c1 ZINC000469231270 883329689 /nfs/dbraw/zinc/32/96/89/883329689.db2.gz ZBZUKZSNPFUFCI-UHFFFAOYSA-N -1 1 406.916 4.132 20 0 HIADMM O=C(Nc1ccc2c(c1)CCO2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469631978 883842086 /nfs/dbraw/zinc/84/20/86/883842086.db2.gz MNAYNMKWWMPZMU-UHFFFAOYSA-N -1 1 419.662 4.131 20 0 HIADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)C(F)(F)F ZINC000469905535 884094077 /nfs/dbraw/zinc/09/40/77/884094077.db2.gz AJSIOIUCXFMJBP-INIZCTEOSA-N -1 1 418.412 4.006 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)cc2)cc1 ZINC000469931480 884125201 /nfs/dbraw/zinc/12/52/01/884125201.db2.gz VUJOINKVRKWSRD-KRWDZBQOSA-N -1 1 414.449 4.113 20 0 HIADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000503703143 912802813 /nfs/dbraw/zinc/80/28/13/912802813.db2.gz QNVCLWZACYLZNA-UHFFFAOYSA-N -1 1 406.361 4.297 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1Br ZINC000470436211 884834441 /nfs/dbraw/zinc/83/44/41/884834441.db2.gz CGTHFEFDOITEMJ-UHFFFAOYSA-N -1 1 413.318 4.258 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)cc1Br ZINC000470453478 884848553 /nfs/dbraw/zinc/84/85/53/884848553.db2.gz WPXAZLYDYBPXKZ-GFCCVEGCSA-N -1 1 414.321 4.356 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000470856891 885351219 /nfs/dbraw/zinc/35/12/19/885351219.db2.gz CHSNMRDAJHOJIB-IYBDPMFKSA-N -1 1 420.481 4.028 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3SC(C)C)cc2C[C@@H]1C ZINC000471117340 885651887 /nfs/dbraw/zinc/65/18/87/885651887.db2.gz UTTAYUOCFYOMNK-AWEZNQCLSA-N -1 1 404.557 4.285 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3C)cc2C[C@@H]1C ZINC000471135806 885677197 /nfs/dbraw/zinc/67/71/97/885677197.db2.gz FFGWIONGQWBFGJ-NSHDSACASA-N -1 1 412.433 4.112 20 0 HIADMM CC(C)CCc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n[nH]1 ZINC000471411862 886065057 /nfs/dbraw/zinc/06/50/57/886065057.db2.gz NQBAYSJQSGPZIN-UHFFFAOYSA-N -1 1 412.515 4.051 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)ccc1F ZINC000471608279 886321730 /nfs/dbraw/zinc/32/17/30/886321730.db2.gz BRIXFGCCNOWELN-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)CC3(C)C)cc2)cc1 ZINC000471727916 886443423 /nfs/dbraw/zinc/44/34/23/886443423.db2.gz OEAOMSNKAZQYLW-MRXNPFEDSA-N -1 1 416.543 4.147 20 0 HIADMM O=S(=O)([N-][C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc(F)c(F)c1F ZINC000471877199 886657347 /nfs/dbraw/zinc/65/73/47/886657347.db2.gz MLZMNNSOAFOMGU-GOSISDBHSA-N -1 1 412.820 4.220 20 0 HIADMM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3F)n2)cc1F ZINC000471883981 886664109 /nfs/dbraw/zinc/66/41/09/886664109.db2.gz GXKCPBOOWBWQKN-SNVBAGLBSA-N -1 1 413.833 4.016 20 0 HIADMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)n2)cc1 ZINC000471899857 886680682 /nfs/dbraw/zinc/68/06/82/886680682.db2.gz YTMUJBJLORATAV-GFCCVEGCSA-N -1 1 421.906 4.001 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)cc2C)c1 ZINC000471907561 886690029 /nfs/dbraw/zinc/69/00/29/886690029.db2.gz BOIOEBGXMHHODP-UHFFFAOYSA-N -1 1 411.321 4.215 20 0 HIADMM CCOc1cc(C(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)cc(Cl)c1[O-] ZINC000504190717 913075355 /nfs/dbraw/zinc/07/53/55/913075355.db2.gz NTBGSPZPWYQLOT-OAHLLOKOSA-N -1 1 418.902 4.268 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3C)cc2)o1 ZINC000471958867 886778414 /nfs/dbraw/zinc/77/84/14/886778414.db2.gz ZUOQPXUAYPVSBX-UHFFFAOYSA-N -1 1 422.304 4.171 20 0 HIADMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000472061201 886870596 /nfs/dbraw/zinc/87/05/96/886870596.db2.gz BVNZPITUAOARBK-QFIPXVFZSA-N -1 1 423.538 4.193 20 0 HIADMM Cc1c(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cccc1C(=O)[O-] ZINC000504251054 913116130 /nfs/dbraw/zinc/11/61/30/913116130.db2.gz ANUKQQSCBWMOQC-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)Oc2cnc3ccccc3c2)c1 ZINC000472494690 887363171 /nfs/dbraw/zinc/36/31/71/887363171.db2.gz FUYGWEYZXXZGGR-LBPRGKRZSA-N -1 1 401.260 4.417 20 0 HIADMM Cc1ncsc1NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000473290767 888043592 /nfs/dbraw/zinc/04/35/92/888043592.db2.gz IASPKIUSOCUBSK-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)c1 ZINC000473432158 888151992 /nfs/dbraw/zinc/15/19/92/888151992.db2.gz JOXDNPRSPDYNFG-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000473812635 888638176 /nfs/dbraw/zinc/63/81/76/888638176.db2.gz RKFUVQVNTPOUKI-KZNAEPCWSA-N -1 1 415.559 4.063 20 0 HIADMM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)sc1Cl ZINC000473903183 888779258 /nfs/dbraw/zinc/77/92/58/888779258.db2.gz UTBUNYCQSWGLDY-SECBINFHSA-N -1 1 405.879 4.494 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473944817 888820592 /nfs/dbraw/zinc/82/05/92/888820592.db2.gz MROJKCVVTDRUCU-GXTWGEPZSA-N -1 1 404.290 4.331 20 0 HIADMM COc1ccc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1[N-]S(C)(=O)=O ZINC000474016865 888871256 /nfs/dbraw/zinc/87/12/56/888871256.db2.gz JLZLJHJEHFBOEA-CYBMUJFWSA-N -1 1 417.487 4.038 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000504506411 913297577 /nfs/dbraw/zinc/29/75/77/913297577.db2.gz AARFBINGOGUMDQ-UHFFFAOYSA-N -1 1 411.405 4.221 20 0 HIADMM CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000474192572 889030195 /nfs/dbraw/zinc/03/01/95/889030195.db2.gz CBRHWVWRKNYVBG-YWZLYKJASA-N -1 1 404.532 4.104 20 0 HIADMM O=C([O-])c1cc(NS(=O)(=O)c2csc3ccccc32)ccc1Br ZINC000504530308 913311783 /nfs/dbraw/zinc/31/17/83/913311783.db2.gz RQXJEUISLORINH-UHFFFAOYSA-N -1 1 412.286 4.163 20 0 HIADMM CN(C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000474301860 889166525 /nfs/dbraw/zinc/16/65/25/889166525.db2.gz GBUVTXGJGIETDX-GOSISDBHSA-N -1 1 415.559 4.208 20 0 HIADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000474407778 889274050 /nfs/dbraw/zinc/27/40/50/889274050.db2.gz CWPLBRQSOXOIGZ-APWZRJJASA-N -1 1 402.516 4.021 20 0 HIADMM COc1cc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1OCCC(C)C ZINC000474494992 889356965 /nfs/dbraw/zinc/35/69/65/889356965.db2.gz KZQJDWCTUKJKOP-UHFFFAOYSA-N -1 1 415.534 4.152 20 0 HIADMM COc1cc([C@H](C)NC(=O)c2c(C)[n-]c(=O)nc2SC)ccc1OC1CCCC1 ZINC000474498816 889360198 /nfs/dbraw/zinc/36/01/98/889360198.db2.gz URZVCYIIXWGPOD-LBPRGKRZSA-N -1 1 417.531 4.034 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000474545743 889423075 /nfs/dbraw/zinc/42/30/75/889423075.db2.gz HYPKIYOWNTZTKA-UHFFFAOYSA-N -1 1 400.479 4.227 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 ZINC000474575340 889449765 /nfs/dbraw/zinc/44/97/65/889449765.db2.gz DJMJHTFQXSUNHI-UHFFFAOYSA-N -1 1 415.497 4.438 20 0 HIADMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1coc(C2CCOCC2)n1 ZINC000474633480 889495780 /nfs/dbraw/zinc/49/57/80/889495780.db2.gz YRIWQCWMMFUXKO-UHFFFAOYSA-N -1 1 414.531 4.140 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc(C3CCOCC3)no2)c1 ZINC000504596722 913355162 /nfs/dbraw/zinc/35/51/62/913355162.db2.gz HOEUYCIOPGNLEE-UHFFFAOYSA-N -1 1 419.890 4.085 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000474702025 889561010 /nfs/dbraw/zinc/56/10/10/889561010.db2.gz HYYHJXGWZHQZKR-QGZVFWFLSA-N -1 1 418.522 4.256 20 0 HIADMM CCOc1cc(C(=O)NC[C@@H](OC(C)C)c2ccccc2OC)cc(Cl)c1[O-] ZINC000474703301 889562311 /nfs/dbraw/zinc/56/23/11/889562311.db2.gz VVPIYXJMQFKXKB-LJQANCHMSA-N -1 1 407.894 4.349 20 0 HIADMM CC(C)c1nccc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000474785080 889642055 /nfs/dbraw/zinc/64/20/55/889642055.db2.gz PZKVMWNJYQUVOR-UHFFFAOYSA-N -1 1 400.479 4.152 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccnc(OC2CCC(C)CC2)c1 ZINC000474802895 889655397 /nfs/dbraw/zinc/65/53/97/889655397.db2.gz VCXUZQPAFJIWAX-UHFFFAOYSA-N -1 1 412.534 4.071 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474876175 889730117 /nfs/dbraw/zinc/73/01/17/889730117.db2.gz CXRAFYRJVQOQDK-GDBMZVCRSA-N -1 1 424.932 4.399 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(COC(C)(C)C)c2C)c1 ZINC000474912191 889772965 /nfs/dbraw/zinc/77/29/65/889772965.db2.gz QEHXGVBZMTYBHY-UHFFFAOYSA-N -1 1 404.532 4.242 20 0 HIADMM COc1ccc(-c2csc(CNC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)c2)cc1 ZINC000474970069 889825537 /nfs/dbraw/zinc/82/55/37/889825537.db2.gz VNSYVRHFHWPXKA-UHFFFAOYSA-N -1 1 411.527 4.455 20 0 HIADMM COc1cccc(-c2ccc(CNC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cc2)c1 ZINC000474999790 889851689 /nfs/dbraw/zinc/85/16/89/889851689.db2.gz GIZOTUWNPCPNQI-UHFFFAOYSA-N -1 1 405.498 4.394 20 0 HIADMM C[C@H](Sc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC000504658253 913399474 /nfs/dbraw/zinc/39/94/74/913399474.db2.gz QMWUEROVSAHARW-VIFPVBQESA-N -1 1 406.312 4.359 20 0 HIADMM COc1ccc(NC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)cc1[N-]S(C)(=O)=O ZINC000475290595 890194077 /nfs/dbraw/zinc/19/40/77/890194077.db2.gz IQOAXIFHDYBJKY-UHFFFAOYSA-N -1 1 420.575 4.392 20 0 HIADMM CCCC(C)(C)NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475331508 890249833 /nfs/dbraw/zinc/24/98/33/890249833.db2.gz FNJPNHGWODDJGN-UHFFFAOYSA-N -1 1 407.511 4.004 20 0 HIADMM COc1ccc(NC(=O)N2CCCC3(C2)CCCCCC3)cc1[N-]S(C)(=O)=O ZINC000475377701 890307296 /nfs/dbraw/zinc/30/72/96/890307296.db2.gz BGXDNMMFOMGWKE-UHFFFAOYSA-N -1 1 409.552 4.035 20 0 HIADMM CCCCN(C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@H](C)c1ccccc1 ZINC000475384868 890313077 /nfs/dbraw/zinc/31/30/77/890313077.db2.gz AOJFABYNKMEJLB-MRXNPFEDSA-N -1 1 419.547 4.462 20 0 HIADMM O=C(N[C@@H]1CCCOc2ccccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000504731186 913468276 /nfs/dbraw/zinc/46/82/76/913468276.db2.gz FNUAMPICPDRXHB-OAQYLSRUSA-N -1 1 422.506 4.131 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)cc1Br ZINC000475748098 890692411 /nfs/dbraw/zinc/69/24/11/890692411.db2.gz NQRJPZPGTMXLEC-UHFFFAOYSA-N -1 1 421.320 4.035 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000504744926 913483466 /nfs/dbraw/zinc/48/34/66/913483466.db2.gz HNSOSTFIKAXKNH-UHFFFAOYSA-N -1 1 422.529 4.012 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2csc(C)n2)cc1 ZINC000475827789 890763036 /nfs/dbraw/zinc/76/30/36/890763036.db2.gz KKTNTQYMGGUENG-UHFFFAOYSA-N -1 1 418.540 4.335 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)cc1F ZINC000475835332 890768030 /nfs/dbraw/zinc/76/80/30/890768030.db2.gz UACZVPOVNXOUSR-UHFFFAOYSA-N -1 1 415.311 4.255 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC[C@H](c2ccccc2)C1 ZINC000476166976 891095627 /nfs/dbraw/zinc/09/56/27/891095627.db2.gz UAZUYJBBIOMRIK-FQEVSTJZSA-N -1 1 406.507 4.117 20 0 HIADMM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000476169691 891098276 /nfs/dbraw/zinc/09/82/76/891098276.db2.gz WEGZULVWZKXJEB-MSOLQXFVSA-N -1 1 418.559 4.155 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)c1C ZINC000476388191 891302549 /nfs/dbraw/zinc/30/25/49/891302549.db2.gz ITBFWQCDLWVNIG-UHFFFAOYSA-N -1 1 405.516 4.206 20 0 HIADMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000476388256 891303540 /nfs/dbraw/zinc/30/35/40/891303540.db2.gz UDCPMKIGQNHHQK-UHFFFAOYSA-N -1 1 412.433 4.015 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)ccc1Br ZINC000476401310 891317813 /nfs/dbraw/zinc/31/78/13/891317813.db2.gz AGUFPSWLPIMKMG-UHFFFAOYSA-N -1 1 412.305 4.097 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 ZINC000476417334 891330298 /nfs/dbraw/zinc/33/02/98/891330298.db2.gz USKMHBKCOIYPHJ-UHFFFAOYSA-N -1 1 404.507 4.115 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)ccc1Br ZINC000476426130 891338439 /nfs/dbraw/zinc/33/84/39/891338439.db2.gz TWJAEQQOOKEJLM-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C)c1 ZINC000476427496 891340590 /nfs/dbraw/zinc/34/05/90/891340590.db2.gz ZLJXFRRPUWMQNN-IYBDPMFKSA-N -1 1 418.534 4.361 20 0 HIADMM O=C(NC1(Cc2ccccc2)CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000476725939 891693068 /nfs/dbraw/zinc/69/30/68/891693068.db2.gz HUOHIIIEGHDHAV-UHFFFAOYSA-N -1 1 424.497 4.132 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H](C)C3)cc2)cc1 ZINC000476847862 891820346 /nfs/dbraw/zinc/82/03/46/891820346.db2.gz MDAWEDOJTAKACB-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM CN(Cc1cscn1)Cc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000476917890 891867507 /nfs/dbraw/zinc/86/75/07/891867507.db2.gz PRRKXVHMWVAVEM-UHFFFAOYSA-N -1 1 424.551 4.124 20 0 HIADMM COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c2c1 ZINC000477112002 892044378 /nfs/dbraw/zinc/04/43/78/892044378.db2.gz ZKLJUQTWXBYLTA-UHFFFAOYSA-N -1 1 400.438 4.469 20 0 HIADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Br)cc1 ZINC000477120209 892050546 /nfs/dbraw/zinc/05/05/46/892050546.db2.gz CSILSPGPPKGEKR-UHFFFAOYSA-N -1 1 400.276 4.461 20 0 HIADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000477423129 892377580 /nfs/dbraw/zinc/37/75/80/892377580.db2.gz ONPSUQHZVSQMAE-UHFFFAOYSA-N -1 1 404.495 4.103 20 0 HIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)ccc2C)n1 ZINC000477445390 892396037 /nfs/dbraw/zinc/39/60/37/892396037.db2.gz RUOABZCBXXKGIU-UHFFFAOYSA-N -1 1 411.483 4.034 20 0 HIADMM COc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(OC2CCCC2)c1 ZINC000477622549 892731307 /nfs/dbraw/zinc/73/13/07/892731307.db2.gz RIEYDSPFULLGDU-UHFFFAOYSA-N -1 1 413.518 4.048 20 0 HIADMM CC(C)N(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000477797535 892872729 /nfs/dbraw/zinc/87/27/29/892872729.db2.gz YOBZXMQRHKXSEQ-UHFFFAOYSA-N -1 1 416.474 4.270 20 0 HIADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000477832047 892894659 /nfs/dbraw/zinc/89/46/59/892894659.db2.gz CHWJIWQCPORZHV-QIJUGHKUSA-N -1 1 416.537 4.205 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC(C3CCCC3)C2)cc1 ZINC000477887160 892952365 /nfs/dbraw/zinc/95/23/65/892952365.db2.gz FDBQFCAXBCMMAF-UHFFFAOYSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cnccc3C)c2)c1 ZINC000477888968 892954056 /nfs/dbraw/zinc/95/40/56/892954056.db2.gz DQOAAUHXYZEWFD-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000504984501 913729890 /nfs/dbraw/zinc/72/98/90/913729890.db2.gz FINFIPKSZFBPIB-UHFFFAOYSA-N -1 1 419.568 4.163 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@H](C)C3)cc2)c1C ZINC000478056585 893211681 /nfs/dbraw/zinc/21/16/81/893211681.db2.gz ZFWMXPQWFPZTPT-INIZCTEOSA-N -1 1 400.544 4.366 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC)CC3CCC3)c2)cc1 ZINC000478305721 893526426 /nfs/dbraw/zinc/52/64/26/893526426.db2.gz OLSZBABQOYYBLC-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000478477160 893802499 /nfs/dbraw/zinc/80/24/99/893802499.db2.gz RPIHCXRRLFSLFX-GOSISDBHSA-N -1 1 400.544 4.386 20 0 HIADMM C[C@@H](CN(C)C(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1nn[n-]n1 ZINC000478581719 893858929 /nfs/dbraw/zinc/85/89/29/893858929.db2.gz GCYLZBDLYXDRCP-YVEFUNNKSA-N -1 1 419.913 4.088 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cnc(C(C)C)nc3)c2)c1 ZINC000478635689 893888299 /nfs/dbraw/zinc/88/82/99/893888299.db2.gz SKCXBOUOYSUEMH-UHFFFAOYSA-N -1 1 424.526 4.270 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000505123098 913829689 /nfs/dbraw/zinc/82/96/89/913829689.db2.gz DXDAMJKSGXYHDJ-AWEZNQCLSA-N -1 1 412.559 4.362 20 0 HIADMM O=C(Nc1ccc2ncsc2c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000479214036 894478324 /nfs/dbraw/zinc/47/83/24/894478324.db2.gz HVJYHAKOLIRQMD-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)c(Cl)c3)ccc21 ZINC000479250031 894514574 /nfs/dbraw/zinc/51/45/74/894514574.db2.gz GWBTUERTEGUTAY-UHFFFAOYSA-N -1 1 405.907 4.464 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(CN(C)Cc3cscn3)c2)cc1 ZINC000479293798 894576097 /nfs/dbraw/zinc/57/60/97/894576097.db2.gz XQGAEHRZWJXJSD-UHFFFAOYSA-N -1 1 419.597 4.298 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)C(F)(F)F)ccc2C)c1 ZINC000479366936 894666434 /nfs/dbraw/zinc/66/64/34/894666434.db2.gz NNGUJXQNHMYJQF-AWEZNQCLSA-N -1 1 414.449 4.032 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H](C)C(F)(F)F)c2)c1 ZINC000479375542 894676880 /nfs/dbraw/zinc/67/68/80/894676880.db2.gz JNOXQNHQMDSFHB-AWEZNQCLSA-N -1 1 414.449 4.032 20 0 HIADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000479407349 894715229 /nfs/dbraw/zinc/71/52/29/894715229.db2.gz FECLOLJPTFPGGT-KUHUBIRLSA-N -1 1 404.507 4.196 20 0 HIADMM COc1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c(C(F)(F)F)c1 ZINC000479418956 894729010 /nfs/dbraw/zinc/72/90/10/894729010.db2.gz IHYBTEMWKJVDJC-UHFFFAOYSA-N -1 1 423.796 4.175 20 0 HIADMM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000479494003 894813244 /nfs/dbraw/zinc/81/32/44/894813244.db2.gz DDXROKIPSFHLDL-UHFFFAOYSA-N -1 1 423.490 4.081 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000479851120 895184904 /nfs/dbraw/zinc/18/49/04/895184904.db2.gz XMEOZMNUDBBTNE-UHFFFAOYSA-N -1 1 412.921 4.044 20 0 HIADMM CC[C@H](C)CN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000480177943 895569094 /nfs/dbraw/zinc/56/90/94/895569094.db2.gz HVFHBKWSBLOYQQ-INIZCTEOSA-N -1 1 406.523 4.064 20 0 HIADMM COc1cc(CNC(=O)c2ccc(Br)c([O-])c2)ccc1OC1CCCC1 ZINC000480562147 895922038 /nfs/dbraw/zinc/92/20/38/895922038.db2.gz ZLJCOBLFYKELEZ-UHFFFAOYSA-N -1 1 420.303 4.415 20 0 HIADMM COc1cc(C)sc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000505361156 914027078 /nfs/dbraw/zinc/02/70/78/914027078.db2.gz WVFKRUKMJXJHKI-UHFFFAOYSA-N -1 1 402.497 4.118 20 0 HIADMM O=S(=O)([N-][C@H]1CCCc2c(O)cccc21)c1c(Cl)cccc1C(F)(F)F ZINC000480884340 896239629 /nfs/dbraw/zinc/23/96/29/896239629.db2.gz XKRPKEVRONKYKH-AWEZNQCLSA-N -1 1 405.825 4.420 20 0 HIADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000481002221 896333246 /nfs/dbraw/zinc/33/32/46/896333246.db2.gz IAAUBQHOJNWBLV-OALUTQOASA-N -1 1 422.547 4.031 20 0 HIADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000481002277 896333364 /nfs/dbraw/zinc/33/33/64/896333364.db2.gz IGKNVMSUZXDOJI-OALUTQOASA-N -1 1 422.547 4.031 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)cc1OC ZINC000481149820 896479567 /nfs/dbraw/zinc/47/95/67/896479567.db2.gz YTSADBDINYDJFY-UHFFFAOYSA-N -1 1 420.531 4.106 20 0 HIADMM O=S(=O)([N-][C@H]1CC[C@@H](c2cccc(F)c2)C1)c1sccc1Br ZINC000481259348 896609825 /nfs/dbraw/zinc/60/98/25/896609825.db2.gz ZTDVZMQTKCYNBG-YPMHNXCESA-N -1 1 404.326 4.264 20 0 HIADMM O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000481452439 896848254 /nfs/dbraw/zinc/84/82/54/896848254.db2.gz CSIUGBXSERADFJ-UHFFFAOYSA-N -1 1 409.463 4.202 20 0 HIADMM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)s1 ZINC000481495486 896872130 /nfs/dbraw/zinc/87/21/30/896872130.db2.gz RPZIDPULOLTKSW-SNVBAGLBSA-N -1 1 420.261 4.086 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(COC3CCCCC3)c2)ccc1[O-] ZINC000481608891 896989575 /nfs/dbraw/zinc/98/95/75/896989575.db2.gz FZXVDLKDOQLMKD-UHFFFAOYSA-N -1 1 418.515 4.001 20 0 HIADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Br)s1 ZINC000481882305 897254153 /nfs/dbraw/zinc/25/41/53/897254153.db2.gz BFWNUZYPAARDPG-UHFFFAOYSA-N -1 1 415.256 4.342 20 0 HIADMM Cc1ccc(SCC(F)(F)F)c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000481948035 897336490 /nfs/dbraw/zinc/33/64/90/897336490.db2.gz OGJIBXXSVSVRFZ-UHFFFAOYSA-N -1 1 419.446 4.077 20 0 HIADMM Cc1nc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c(Cl)cc1Cl ZINC000481967619 897357771 /nfs/dbraw/zinc/35/77/71/897357771.db2.gz ZUOKXPGXYQRJOO-UHFFFAOYSA-N -1 1 414.083 4.399 20 0 HIADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccccc2Oc2cccc(F)c2)cc1 ZINC000481979549 897371933 /nfs/dbraw/zinc/37/19/33/897371933.db2.gz HGFKYHYETLEVQF-UHFFFAOYSA-N -1 1 401.415 4.046 20 0 HIADMM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccco1 ZINC000482083028 897521488 /nfs/dbraw/zinc/52/14/88/897521488.db2.gz LIGOVSFPVUEBEC-UHFFFAOYSA-N -1 1 416.886 4.475 20 0 HIADMM Cc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(F)cc1F ZINC000482094722 897539028 /nfs/dbraw/zinc/53/90/28/897539028.db2.gz ASEXDGUSAPDHJV-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)c1ccc(OC)cc1 ZINC000505520021 914210279 /nfs/dbraw/zinc/21/02/79/914210279.db2.gz IQNFFWRVWXSIPM-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)c1 ZINC000482547045 898136398 /nfs/dbraw/zinc/13/63/98/898136398.db2.gz CAVLXQWJLBDVKT-UHFFFAOYSA-N -1 1 423.694 4.496 20 0 HIADMM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482603032 898205219 /nfs/dbraw/zinc/20/52/19/898205219.db2.gz LMWXYKNOTJFHHE-UHFFFAOYSA-N -1 1 420.229 4.020 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccnc(OCC(F)(F)F)c2)c1 ZINC000482677435 898278685 /nfs/dbraw/zinc/27/86/85/898278685.db2.gz ULJXDGLJPLAMQR-UHFFFAOYSA-N -1 1 405.170 4.052 20 0 HIADMM COc1ccc(SC)c(OC)c1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482689676 898288874 /nfs/dbraw/zinc/28/88/74/898288874.db2.gz FYTYGQNMNFLEKK-UHFFFAOYSA-N -1 1 412.305 4.455 20 0 HIADMM Cc1c2ccccc2oc1[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(C)C ZINC000482879904 898494145 /nfs/dbraw/zinc/49/41/45/898494145.db2.gz IVEACMNXDYFBQX-QFIPXVFZSA-N -1 1 406.486 4.162 20 0 HIADMM CC1=C(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000482884466 898497145 /nfs/dbraw/zinc/49/71/45/898497145.db2.gz FVUDJKDAWWYVMQ-UHFFFAOYSA-N -1 1 404.919 4.323 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCSCC[C@H]3C)cc2)c1 ZINC000482970849 898604162 /nfs/dbraw/zinc/60/41/62/898604162.db2.gz LXCUSBZUDZWNBA-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000483148852 898826048 /nfs/dbraw/zinc/82/60/48/898826048.db2.gz HFBFFSAXTOHANV-UHFFFAOYSA-N -1 1 412.230 4.117 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccn4)nc3c2)c1 ZINC000484069379 899704469 /nfs/dbraw/zinc/70/44/69/899704469.db2.gz FYPKVIPBSCFIPX-UHFFFAOYSA-N -1 1 406.467 4.018 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000484114308 899738068 /nfs/dbraw/zinc/73/80/68/899738068.db2.gz WQOVPJHPQGGKHP-UHFFFAOYSA-N -1 1 411.483 4.278 20 0 HIADMM CC(=O)Nc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1C ZINC000484233477 899826354 /nfs/dbraw/zinc/82/63/54/899826354.db2.gz MJEORRDAILCSDH-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM O=C([O-])CCCOc1ccc(S(=O)(=O)Nc2csc3ccccc23)cc1F ZINC000484260754 899839112 /nfs/dbraw/zinc/83/91/12/899839112.db2.gz YQQIIKNVQDJOKJ-UHFFFAOYSA-N -1 1 409.460 4.085 20 0 HIADMM COC(=O)c1c[n-]c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)n1 ZINC000484552354 900030991 /nfs/dbraw/zinc/03/09/91/900030991.db2.gz BHVWGTNVWTWFMK-UHFFFAOYSA-N -1 1 416.528 4.247 20 0 HIADMM COCCSc1ccc([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000484592174 900055821 /nfs/dbraw/zinc/05/58/21/900055821.db2.gz NGOXPGGNKCJJNE-LBPRGKRZSA-N -1 1 410.333 4.384 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1 ZINC000484612452 900069709 /nfs/dbraw/zinc/06/97/09/900069709.db2.gz DTIOCZNBPZYESM-RTWAWAEBSA-N -1 1 417.527 4.008 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000484624922 900077649 /nfs/dbraw/zinc/07/76/49/900077649.db2.gz XBGMJKIRAPEOQX-HHHXNRCGSA-N -1 1 421.584 4.215 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCC2)cc1C ZINC000484696138 900132370 /nfs/dbraw/zinc/13/23/70/900132370.db2.gz XKJDTSUPIDONQB-UHFFFAOYSA-N -1 1 416.543 4.005 20 0 HIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000484710283 900142710 /nfs/dbraw/zinc/14/27/10/900142710.db2.gz AUFQABCYCZFSIK-QMMMGPOBSA-N -1 1 420.229 4.021 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(C(F)F)CC3)c2)c1 ZINC000484728068 900156375 /nfs/dbraw/zinc/15/63/75/900156375.db2.gz XRJVSHLOQUJNHL-UHFFFAOYSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(C(F)F)CC3)cc2)cc1C ZINC000484736065 900160936 /nfs/dbraw/zinc/16/09/36/900160936.db2.gz MDHVPHLJBUOQEK-UHFFFAOYSA-N -1 1 422.497 4.222 20 0 HIADMM CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505738628 914416784 /nfs/dbraw/zinc/41/67/84/914416784.db2.gz VUMSSHIAGHDZOJ-UHFFFAOYSA-N -1 1 400.818 4.302 20 0 HIADMM COCc1c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)sc2cccc(F)c21 ZINC000484952443 900319332 /nfs/dbraw/zinc/31/93/32/900319332.db2.gz ANTFPLTZDAYODH-UHFFFAOYSA-N -1 1 405.398 4.395 20 0 HIADMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000484957478 900322378 /nfs/dbraw/zinc/32/23/78/900322378.db2.gz ZMTQXKZOSSANCB-UHFFFAOYSA-N -1 1 419.886 4.320 20 0 HIADMM CCSCc1cccc(NS(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000485250767 900535642 /nfs/dbraw/zinc/53/56/42/900535642.db2.gz FDIUNNFDZPORMC-UHFFFAOYSA-N -1 1 415.920 4.101 20 0 HIADMM COc1cc(S(=O)(=O)Nc2ccc(SC)c(Cl)c2)c(Cl)cc1C(=O)[O-] ZINC000485259226 900543270 /nfs/dbraw/zinc/54/32/70/900543270.db2.gz IJULYWKQRQUZQD-UHFFFAOYSA-N -1 1 422.311 4.223 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@H]1CCCSC1 ZINC000485416487 900714190 /nfs/dbraw/zinc/71/41/90/900714190.db2.gz KCJIUFIZBXWPES-ZDUSSCGKSA-N -1 1 410.948 4.223 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ocnc1C1CC1 ZINC000485418208 900717270 /nfs/dbraw/zinc/71/72/70/900717270.db2.gz OVTMCIRFEWGHEJ-UHFFFAOYSA-N -1 1 417.874 4.259 20 0 HIADMM CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)c1ccc(OC)cc1 ZINC000485666031 900916769 /nfs/dbraw/zinc/91/67/69/900916769.db2.gz NPCGAVWUXRXFDV-UHFFFAOYSA-N -1 1 401.260 4.378 20 0 HIADMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000485768282 901024727 /nfs/dbraw/zinc/02/47/27/901024727.db2.gz DJGDREFHHKHMJP-UHFFFAOYSA-N -1 1 422.535 4.434 20 0 HIADMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1 ZINC000486091367 901280132 /nfs/dbraw/zinc/28/01/32/901280132.db2.gz PWMMNLKGPBVDDF-LBPRGKRZSA-N -1 1 421.906 4.001 20 0 HIADMM CC(C)CCn1ncc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1C(C)C ZINC000486095371 901282781 /nfs/dbraw/zinc/28/27/81/901282781.db2.gz BUVCSLKXQJVYAG-KKSFZXQISA-N -1 1 409.596 4.190 20 0 HIADMM Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000486162341 901350505 /nfs/dbraw/zinc/35/05/05/901350505.db2.gz BHFCPDTYYPIBNI-UHFFFAOYSA-N -1 1 423.922 4.173 20 0 HIADMM Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)c1 ZINC000486424439 901582539 /nfs/dbraw/zinc/58/25/39/901582539.db2.gz WWWLDVGSNVHHRZ-UHFFFAOYSA-N -1 1 404.304 4.455 20 0 HIADMM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486854681 901899787 /nfs/dbraw/zinc/89/97/87/901899787.db2.gz CMWHWWKOTNBNDP-CQSZACIVSA-N -1 1 415.291 4.020 20 0 HIADMM Cc1cscc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000486993769 902006836 /nfs/dbraw/zinc/00/68/36/902006836.db2.gz DGSNYUXQIYXPOF-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000487782182 902362409 /nfs/dbraw/zinc/36/24/09/902362409.db2.gz LDCMSTPVCLTHIL-QFIPXVFZSA-N -1 1 404.514 4.259 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cnc(C)nc3)c2)cc1 ZINC000487845215 902403744 /nfs/dbraw/zinc/40/37/44/902403744.db2.gz SJCWSTFFSNALDZ-UHFFFAOYSA-N -1 1 424.526 4.181 20 0 HIADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000488244757 902719568 /nfs/dbraw/zinc/71/95/68/902719568.db2.gz PWBVZRYPXYNWKW-XMMPIXPASA-N -1 1 411.854 4.038 20 0 HIADMM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)cc1F ZINC000488252453 902726091 /nfs/dbraw/zinc/72/60/91/902726091.db2.gz OFQYLBRIYBLLKV-UHFFFAOYSA-N -1 1 413.854 4.157 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000488298196 902758762 /nfs/dbraw/zinc/75/87/62/902758762.db2.gz UVWFEIGKYANWAK-UHFFFAOYSA-N -1 1 406.507 4.253 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000488468506 902840852 /nfs/dbraw/zinc/84/08/52/902840852.db2.gz XZTIPTQUGMPTPS-NRFANRHFSA-N -1 1 424.570 4.002 20 0 HIADMM O=C(NCc1coc2ccccc12)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000489025045 903128584 /nfs/dbraw/zinc/12/85/84/903128584.db2.gz CCWFMDLATCILCG-UHFFFAOYSA-N -1 1 406.463 4.164 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c(F)cc2N1 ZINC000489026272 903131086 /nfs/dbraw/zinc/13/10/86/903131086.db2.gz YMRRHDCIIMVHRX-UHFFFAOYSA-N -1 1 422.787 4.183 20 0 HIADMM O=C(NCc1cc2ccccc2s1)c1ccc(I)c([O-])c1 ZINC000489652274 903518324 /nfs/dbraw/zinc/51/83/24/903518324.db2.gz URWBVJIMOVWMIR-UHFFFAOYSA-N -1 1 409.248 4.142 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)c4ccoc4)c3)ccc21 ZINC000489711503 903553952 /nfs/dbraw/zinc/55/39/52/903553952.db2.gz BISGQGOZRJTXTO-UHFFFAOYSA-N -1 1 424.482 4.263 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 ZINC000489755755 903582258 /nfs/dbraw/zinc/58/22/58/903582258.db2.gz VDNRFDNELHRTQJ-UHFFFAOYSA-N -1 1 400.504 4.157 20 0 HIADMM CC(C)(C)c1nnsc1C(=O)[N-]c1nnc(-c2cccc(Br)c2)s1 ZINC000489873081 903643367 /nfs/dbraw/zinc/64/33/67/903643367.db2.gz HFZKVASDHPOVSK-UHFFFAOYSA-N -1 1 424.349 4.369 20 0 HIADMM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000490591443 904123220 /nfs/dbraw/zinc/12/32/20/904123220.db2.gz XJJHZLYREOLYCM-UHFFFAOYSA-N -1 1 414.303 4.394 20 0 HIADMM CCc1nc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000506142705 914821367 /nfs/dbraw/zinc/82/13/67/914821367.db2.gz IVXJGPWOZDGKAN-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)c(Br)c(C)c2)ccc1C ZINC000491593558 904666107 /nfs/dbraw/zinc/66/61/07/904666107.db2.gz HEJLCGZCVWMPIB-UHFFFAOYSA-N -1 1 411.321 4.134 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCC(C)(C)O3)ccc2C)c1 ZINC000493713086 905202095 /nfs/dbraw/zinc/20/20/95/905202095.db2.gz WMBQPDIEDMCDLG-GOSISDBHSA-N -1 1 402.516 4.000 20 0 HIADMM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc(Cl)c([O-])c(OCC)c3)nc21 ZINC000493732933 905205275 /nfs/dbraw/zinc/20/52/75/905205275.db2.gz CSORCTCNALOIMJ-NSHDSACASA-N -1 1 424.906 4.136 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000494103389 905436959 /nfs/dbraw/zinc/43/69/59/905436959.db2.gz OPBSRFPKVMAEMX-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CCn1nc(C)c(S(=O)(=O)[N-][C@@H](c2cccc3ccccc32)C(F)(F)F)c1C ZINC000512441709 921164628 /nfs/dbraw/zinc/16/46/28/921164628.db2.gz QYHWXHHRDQNISU-SFHVURJKSA-N -1 1 411.449 4.255 20 0 HIADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000494430408 905716826 /nfs/dbraw/zinc/71/68/26/905716826.db2.gz YZNSMQWZJIHNNW-SECBINFHSA-N -1 1 408.667 4.358 20 0 HIADMM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1csc(C(F)(F)F)n1 ZINC000496068730 906606823 /nfs/dbraw/zinc/60/68/23/906606823.db2.gz GREATGJFQBQCRX-UHFFFAOYSA-N -1 1 407.299 4.218 20 0 HIADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)c1C ZINC000512621584 921264917 /nfs/dbraw/zinc/26/49/17/921264917.db2.gz ZOCIDQNUXYTLCH-UHFFFAOYSA-N -1 1 410.495 4.256 20 0 HIADMM O=C(Nc1ccc2ccccc2n1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000497497716 906983456 /nfs/dbraw/zinc/98/34/56/906983456.db2.gz WQWJKWVSMUKHNU-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccccc3CC(F)(F)F)c3cccc(c23)C1=O ZINC000512751549 921301457 /nfs/dbraw/zinc/30/14/57/921301457.db2.gz AJBDMVXCSICLED-UHFFFAOYSA-N -1 1 420.412 4.335 20 0 HIADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000512795110 921312724 /nfs/dbraw/zinc/31/27/24/921312724.db2.gz ODZCGQKXSYMJPE-AWEZNQCLSA-N -1 1 410.495 4.408 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1coc(Br)c1 ZINC000497914856 907386285 /nfs/dbraw/zinc/38/62/85/907386285.db2.gz QFWSYTDRIWITBB-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM CCOC1CC2(C1)CCN(Cc1nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]1)C2 ZINC000512823922 921328020 /nfs/dbraw/zinc/32/80/20/921328020.db2.gz NNGZSQIVVULHQW-UHFFFAOYSA-N -1 1 413.518 4.182 20 0 HIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000498018117 907513217 /nfs/dbraw/zinc/51/32/17/907513217.db2.gz AHZPYWUZLOESIF-UHFFFAOYSA-N -1 1 405.264 4.348 20 0 HIADMM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000498020213 907519384 /nfs/dbraw/zinc/51/93/84/907519384.db2.gz ICYNJZMISDUXFM-UHFFFAOYSA-N -1 1 417.903 4.049 20 0 HIADMM Cc1ccc(NC(=O)CO[C@@H]2CCCC[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000498200586 907733088 /nfs/dbraw/zinc/73/30/88/907733088.db2.gz IGYQYQXAJNVHTB-OXQOHEQNSA-N -1 1 416.543 4.330 20 0 HIADMM CCN(C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H](C)c1cccnc1 ZINC000498211219 907742534 /nfs/dbraw/zinc/74/25/34/907742534.db2.gz SENARXHTXPENQX-KRWDZBQOSA-N -1 1 424.526 4.497 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000498404491 907884232 /nfs/dbraw/zinc/88/42/32/907884232.db2.gz PRLGCJIFOUAEAO-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)cc1 ZINC000498419906 907893686 /nfs/dbraw/zinc/89/36/86/907893686.db2.gz AAGOEOZMKQQMCS-UHFFFAOYSA-N -1 1 424.547 4.412 20 0 HIADMM C[C@@H]1CC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H](C)C1 ZINC000499146962 908505176 /nfs/dbraw/zinc/50/51/76/908505176.db2.gz NOKSXNCXTUXPTR-SXGZJXTBSA-N -1 1 404.507 4.181 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c(=O)[n-]1 ZINC000499339650 908713490 /nfs/dbraw/zinc/71/34/90/908713490.db2.gz FBAQVVDFQXEQGE-CQSZACIVSA-N -1 1 412.342 4.256 20 0 HIADMM C[C@@H](c1ccco1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000499540551 908834162 /nfs/dbraw/zinc/83/41/62/908834162.db2.gz ONMLCRRKNUXAEZ-AWEZNQCLSA-N -1 1 402.447 4.053 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)ccc1O ZINC000499607402 908854110 /nfs/dbraw/zinc/85/41/10/908854110.db2.gz CXSFUVHBVXLLGW-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM O=C(NCC1CCSCC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000499707066 908883531 /nfs/dbraw/zinc/88/35/31/908883531.db2.gz FAAGPUDSXOVKGE-UHFFFAOYSA-N -1 1 424.975 4.014 20 0 HIADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)c([O-])c2)c(OC)c1 ZINC000499721291 908889632 /nfs/dbraw/zinc/88/96/32/908889632.db2.gz JXBCJQXEBTUQQT-INIZCTEOSA-N -1 1 406.276 4.149 20 0 HIADMM O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(Br)c([O-])c1 ZINC000499847947 908982144 /nfs/dbraw/zinc/98/21/44/908982144.db2.gz SSBKFPCDCCQBDX-UHFFFAOYSA-N -1 1 418.316 4.036 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)COc3ccsc3)ccc2C)c1 ZINC000499942180 909048168 /nfs/dbraw/zinc/04/81/68/909048168.db2.gz XMKMNSJDKLLWDB-UHFFFAOYSA-N -1 1 416.524 4.183 20 0 HIADMM CCSCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000500037955 909497203 /nfs/dbraw/zinc/49/72/03/909497203.db2.gz BGQJGENQZWKNIG-UHFFFAOYSA-N -1 1 412.964 4.014 20 0 HIADMM CC(C)(NC(=O)c1ccc(Br)c([O-])c1)c1nc(C(F)(F)F)cs1 ZINC000500156510 909635530 /nfs/dbraw/zinc/63/55/30/909635530.db2.gz LPWPLQALIAUSNR-UHFFFAOYSA-N -1 1 409.227 4.295 20 0 HIADMM COc1cc(Br)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1OC ZINC000500155649 909636192 /nfs/dbraw/zinc/63/61/92/909636192.db2.gz VRJGTGXTCYVIDX-UHFFFAOYSA-N -1 1 414.321 4.192 20 0 HIADMM CCC[C@@H]1CCc2nc(NC(=O)CCc3c(C)nc(SC)[n-]c3=O)sc2C1 ZINC000500332286 909792338 /nfs/dbraw/zinc/79/23/38/909792338.db2.gz QUBWXNFXRXGAJI-GFCCVEGCSA-N -1 1 406.577 4.145 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(CC(C)C)C2CC2)cc1 ZINC000513107385 921554178 /nfs/dbraw/zinc/55/41/78/921554178.db2.gz FQNJYNDLSHUVSM-UHFFFAOYSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1ccc2cccc(Br)c2n1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000500915993 910180234 /nfs/dbraw/zinc/18/02/34/910180234.db2.gz PCPOPFFFTBZKPF-UHFFFAOYSA-N -1 1 421.254 4.204 20 0 HIADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)c1 ZINC000501802369 910853684 /nfs/dbraw/zinc/85/36/84/910853684.db2.gz XBZWLNPJECGYTL-UHFFFAOYSA-N -1 1 412.467 4.160 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(F)cc2cccnc21 ZINC000502281190 911235059 /nfs/dbraw/zinc/23/50/59/911235059.db2.gz OMMSJTPUVLYOGP-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CCC[C@@H]1C[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000502911943 911898767 /nfs/dbraw/zinc/89/87/67/911898767.db2.gz KSFWYBNNXPWGRS-VQIMIIECSA-N -1 1 402.516 4.021 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000503172712 912146130 /nfs/dbraw/zinc/14/61/30/912146130.db2.gz CYHOBSIFUFCBSU-UHFFFAOYSA-N -1 1 412.515 4.234 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000513351904 921732466 /nfs/dbraw/zinc/73/24/66/921732466.db2.gz WKAWTCOBFZUMHJ-NSHDSACASA-N -1 1 418.412 4.174 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC000506691067 915369286 /nfs/dbraw/zinc/36/92/86/915369286.db2.gz WQSPADVCYKWWGT-UHFFFAOYSA-N -1 1 416.499 4.032 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n(-c2ccncc2)n1 ZINC000506816084 915574878 /nfs/dbraw/zinc/57/48/78/915574878.db2.gz PAUSNJJZHFKXTK-UHFFFAOYSA-N -1 1 416.812 4.049 20 0 HIADMM COCCCOc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1OC ZINC000507578781 916332804 /nfs/dbraw/zinc/33/28/04/916332804.db2.gz HVKOLSUGIUTEPQ-UHFFFAOYSA-N -1 1 407.532 4.209 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)sc2c1)c1ccc2c(c1)OCCCO2 ZINC000507582978 916335956 /nfs/dbraw/zinc/33/59/56/916335956.db2.gz NUUBQISLLDCIFR-UHFFFAOYSA-N -1 1 412.439 4.196 20 0 HIADMM CCc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnn1-c1ccccc1Cl ZINC000507977414 916826225 /nfs/dbraw/zinc/82/62/25/916826225.db2.gz AQXKWXJNIRWYHI-UHFFFAOYSA-N -1 1 422.938 4.316 20 0 HIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4)nc3c2)no1 ZINC000507986348 916830142 /nfs/dbraw/zinc/83/01/42/916830142.db2.gz ONAJJNSDBBTSOP-UHFFFAOYSA-N -1 1 410.499 4.457 20 0 HIADMM CCC[C@@H](CC)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000508013310 916851518 /nfs/dbraw/zinc/85/15/18/916851518.db2.gz IVIMZQSWQYQNAO-SECBINFHSA-N -1 1 417.138 4.208 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccn3)c2)cc1 ZINC000508032337 916864678 /nfs/dbraw/zinc/86/46/78/916864678.db2.gz KACMJBNTICPHHR-UHFFFAOYSA-N -1 1 409.511 4.333 20 0 HIADMM CCOc1cc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc(Cl)c1[O-] ZINC000508125699 916943009 /nfs/dbraw/zinc/94/30/09/916943009.db2.gz PZOXVOYGJVMORX-UHFFFAOYSA-N -1 1 412.269 4.189 20 0 HIADMM O=S(=O)([N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cnc2ccsc2c1 ZINC000508127038 916945095 /nfs/dbraw/zinc/94/50/95/916945095.db2.gz XDVNHYACRMJZOD-INIZCTEOSA-N -1 1 411.430 4.360 20 0 HIADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)c1 ZINC000508218147 917035715 /nfs/dbraw/zinc/03/57/15/917035715.db2.gz YKNKGWTUOLVGEU-UHFFFAOYSA-N -1 1 418.559 4.110 20 0 HIADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000508221363 917038957 /nfs/dbraw/zinc/03/89/57/917038957.db2.gz HCPLMINHOJGSNR-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000509090743 917831906 /nfs/dbraw/zinc/83/19/06/917831906.db2.gz SLYKTIQJXGUJSF-VWLOTQADSA-N -1 1 405.463 4.002 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1 ZINC000509090884 917832012 /nfs/dbraw/zinc/83/20/12/917832012.db2.gz WZZBITLVVMOASI-UHFFFAOYSA-N -1 1 414.556 4.194 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)c1 ZINC000509095448 917835827 /nfs/dbraw/zinc/83/58/27/917835827.db2.gz DUMYTVQKJVEVKP-UHFFFAOYSA-N -1 1 417.512 4.124 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCC3)cc1 ZINC000509102491 917841644 /nfs/dbraw/zinc/84/16/44/917841644.db2.gz HPEXVKWDXUOBAZ-UHFFFAOYSA-N -1 1 422.432 4.019 20 0 HIADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000509231510 917928903 /nfs/dbraw/zinc/92/89/03/917928903.db2.gz GAZPWHWYEKWTRH-UHFFFAOYSA-N -1 1 406.248 4.154 20 0 HIADMM CCCCOc1cccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000509241684 917937045 /nfs/dbraw/zinc/93/70/45/917937045.db2.gz VZDYWHQJVRITNM-UHFFFAOYSA-N -1 1 406.486 4.303 20 0 HIADMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1coc(C2CCOCC2)n1 ZINC000509323545 917995902 /nfs/dbraw/zinc/99/59/02/917995902.db2.gz LHTFGZBZUSAYNC-UHFFFAOYSA-N -1 1 408.842 4.132 20 0 HIADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)c(F)c(Cl)c3)cc21 ZINC000562359724 945064061 /nfs/dbraw/zinc/06/40/61/945064061.db2.gz OGLUJGVVECTPBQ-UHFFFAOYSA-N -1 1 403.262 4.163 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3)c2)c1 ZINC000509390476 918056429 /nfs/dbraw/zinc/05/64/29/918056429.db2.gz WVXAZPHTFPMAFK-UHFFFAOYSA-N -1 1 412.536 4.139 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)cc1 ZINC000509391558 918058039 /nfs/dbraw/zinc/05/80/39/918058039.db2.gz ZKVKDZBMNYLAOS-UHFFFAOYSA-N -1 1 414.458 4.174 20 0 HIADMM Cc1ccc([C@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C2CC2)cc1 ZINC000509509147 918155866 /nfs/dbraw/zinc/15/58/66/918155866.db2.gz JLOMBLHPZHMLET-QFIPXVFZSA-N -1 1 402.498 4.061 20 0 HIADMM Cc1ccc(C)c([C@@H](C)N(C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000509681514 918311207 /nfs/dbraw/zinc/31/12/07/918311207.db2.gz CFOQLBNZMDESOV-GOSISDBHSA-N -1 1 404.514 4.322 20 0 HIADMM CO[C@@H](C)c1nsc(=NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[n-]1 ZINC000509716577 918343535 /nfs/dbraw/zinc/34/35/35/918343535.db2.gz YLGQZUFNGNMUKV-NSHDSACASA-N -1 1 401.363 4.051 20 0 HIADMM Cc1ccccc1[C@@H]1CCCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509741928 918360440 /nfs/dbraw/zinc/36/04/40/918360440.db2.gz WZKSUDGYSWPTDF-NRFANRHFSA-N -1 1 402.498 4.157 20 0 HIADMM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3csc4ccccc43)n2)ccc1F ZINC000509863826 918465173 /nfs/dbraw/zinc/46/51/73/918465173.db2.gz KDHSHHRMLZNXBN-LBPRGKRZSA-N -1 1 417.487 4.438 20 0 HIADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000510189247 918738663 /nfs/dbraw/zinc/73/86/63/918738663.db2.gz KROPQLIXBYDOAI-CYBMUJFWSA-N -1 1 421.950 4.029 20 0 HIADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000510189247 918738667 /nfs/dbraw/zinc/73/86/67/918738667.db2.gz KROPQLIXBYDOAI-CYBMUJFWSA-N -1 1 421.950 4.029 20 0 HIADMM O=C(Nc1cc(Cl)ccn1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000511129613 919743732 /nfs/dbraw/zinc/74/37/32/919743732.db2.gz IGJSRMQHUSYIOU-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccn3)c2)c1 ZINC000511144499 919763291 /nfs/dbraw/zinc/76/32/91/919763291.db2.gz KEVBXNODGNVXNG-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=C(NCCc1ccsc1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000511223769 919830670 /nfs/dbraw/zinc/83/06/70/919830670.db2.gz SBNYGEWQFMVLNL-UHFFFAOYSA-N -1 1 420.943 4.175 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c3ccccc32)cc1 ZINC000511225082 919831879 /nfs/dbraw/zinc/83/18/79/919831879.db2.gz WZBVFHULFWGJDH-UHFFFAOYSA-N -1 1 412.511 4.179 20 0 HIADMM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000511278555 919874587 /nfs/dbraw/zinc/87/45/87/919874587.db2.gz GDHHQNZGYOPOHJ-UHFFFAOYSA-N -1 1 403.378 4.208 20 0 HIADMM COc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)cc1Br ZINC000511400993 920014109 /nfs/dbraw/zinc/01/41/09/920014109.db2.gz XOUYYYISDFGOFC-UHFFFAOYSA-N -1 1 411.321 4.127 20 0 HIADMM Cc1nc(-c2ccc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)cc2)cs1 ZINC000511432890 920043925 /nfs/dbraw/zinc/04/39/25/920043925.db2.gz PEZPLEADBYOUAU-UHFFFAOYSA-N -1 1 417.494 4.166 20 0 HIADMM Cc1sc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)nc1-c1ccc(C)cc1 ZINC000511458155 920067047 /nfs/dbraw/zinc/06/70/47/920067047.db2.gz CZUJSMOOVMWKLN-UHFFFAOYSA-N -1 1 421.526 4.363 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Nc3ccccc3)c2)o1 ZINC000511521301 920140176 /nfs/dbraw/zinc/14/01/76/920140176.db2.gz GJFFPQQKYFEWAR-UHFFFAOYSA-N -1 1 413.499 4.352 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511649324 920316170 /nfs/dbraw/zinc/31/61/70/920316170.db2.gz OKJYOPDFMGYSGS-UHFFFAOYSA-N -1 1 410.326 4.449 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc2c(c1)OCCO2 ZINC000511715581 920380020 /nfs/dbraw/zinc/38/00/20/920380020.db2.gz ZTMNHVDLURHYGY-UHFFFAOYSA-N -1 1 418.858 4.099 20 0 HIADMM CC(C)Cc1ccc(C(=O)C2CCN(Cc3c([O-])nnn3-c3ccccc3)CC2)cc1 ZINC000511774397 920462941 /nfs/dbraw/zinc/46/29/41/920462941.db2.gz FHHLZFUXBZRGDA-UHFFFAOYSA-N -1 1 418.541 4.266 20 0 HIADMM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000512031044 920803273 /nfs/dbraw/zinc/80/32/73/920803273.db2.gz LRNYDQFHJVDTFL-FPOVZHCZSA-N -1 1 406.530 4.169 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000512123397 920874142 /nfs/dbraw/zinc/87/41/42/920874142.db2.gz PGUXYZSOFVOCKM-UHFFFAOYSA-N -1 1 424.520 4.142 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)[C@H](C)CC)cc2)cc1 ZINC000512149428 920890722 /nfs/dbraw/zinc/89/07/22/920890722.db2.gz RMRMLTMLSVGTPP-CVEARBPZSA-N -1 1 404.532 4.051 20 0 HIADMM CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)cc1 ZINC000512239444 920994784 /nfs/dbraw/zinc/99/47/84/920994784.db2.gz CXZNXIKFMAPZHD-KRWDZBQOSA-N -1 1 412.939 4.137 20 0 HIADMM CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc(C(C)=O)c3)ccc2s1 ZINC000513815826 922140149 /nfs/dbraw/zinc/14/01/49/922140149.db2.gz BRYZEDJAOSUBAB-UHFFFAOYSA-N -1 1 403.481 4.081 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(N(C)C)cc3C)c2)cc1 ZINC000514170361 922507669 /nfs/dbraw/zinc/50/76/69/922507669.db2.gz QCXOONNGOQSIHR-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000514922323 922845043 /nfs/dbraw/zinc/84/50/43/922845043.db2.gz FTJGEDAZCZRQMH-UHFFFAOYSA-N -1 1 411.889 4.311 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2cccc(F)c2)C2CCCC2)c(=O)[n-]1 ZINC000515033314 922886611 /nfs/dbraw/zinc/88/66/11/922886611.db2.gz PXCCINGOJHWIFL-UHFFFAOYSA-N -1 1 403.523 4.256 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000515631191 923231220 /nfs/dbraw/zinc/23/12/20/923231220.db2.gz WXDTZOLBYFHYJE-UHFFFAOYSA-N -1 1 404.315 4.347 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)c1 ZINC000515633161 923233664 /nfs/dbraw/zinc/23/36/64/923233664.db2.gz CHASZZJAWFNLNX-OAHLLOKOSA-N -1 1 406.935 4.464 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC(F)(F)F)ccc2C)cc1Cl ZINC000515634292 923234664 /nfs/dbraw/zinc/23/46/64/923234664.db2.gz ASGICRZGHCLVNV-UHFFFAOYSA-N -1 1 420.840 4.050 20 0 HIADMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cncn2)cc1 ZINC000515690771 923274028 /nfs/dbraw/zinc/27/40/28/923274028.db2.gz BAVPESVBVVXGQB-UHFFFAOYSA-N -1 1 420.922 4.146 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1C ZINC000515695881 923278361 /nfs/dbraw/zinc/27/83/61/923278361.db2.gz XKNGQMUBVWKQQL-KRWDZBQOSA-N -1 1 416.543 4.127 20 0 HIADMM CCOc1ccccc1Oc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC000515761377 923332626 /nfs/dbraw/zinc/33/26/26/923332626.db2.gz AKNHRHPYPLCPQL-UHFFFAOYSA-N -1 1 420.437 4.029 20 0 HIADMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2s1 ZINC000515837138 923383452 /nfs/dbraw/zinc/38/34/52/923383452.db2.gz YFPPZHYPMIJLAC-UHFFFAOYSA-N -1 1 419.528 4.153 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000515849055 923390772 /nfs/dbraw/zinc/39/07/72/923390772.db2.gz ZVQBUWDQUUAXRR-UHFFFAOYSA-N -1 1 406.935 4.321 20 0 HIADMM CC1(C)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@H]1c1cccnc1 ZINC000516487142 923755339 /nfs/dbraw/zinc/75/53/39/923755339.db2.gz WLKBHFYDLGNARF-NRFANRHFSA-N -1 1 421.522 4.106 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c(OC)cc1Br ZINC000516508241 923767598 /nfs/dbraw/zinc/76/75/98/923767598.db2.gz CYYYTDXQYHQSBV-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000516807086 923895099 /nfs/dbraw/zinc/89/50/99/923895099.db2.gz JGMXDKJFURYTBQ-VIFPVBQESA-N -1 1 413.339 4.085 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000516884156 923923226 /nfs/dbraw/zinc/92/32/26/923923226.db2.gz UHOWLDKCYGVWCQ-IBGZPJMESA-N -1 1 408.889 4.112 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1COc1ccccc1 ZINC000517158911 924030281 /nfs/dbraw/zinc/03/02/81/924030281.db2.gz MNMMUSAADZLONQ-UHFFFAOYSA-N -1 1 403.481 4.135 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000517879819 926872335 /nfs/dbraw/zinc/87/23/35/926872335.db2.gz OWUFXLRXPHVIPK-OAHLLOKOSA-N -1 1 416.481 4.264 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)c1 ZINC000518209340 927081497 /nfs/dbraw/zinc/08/14/97/927081497.db2.gz SGTCFVAYMGDSKP-UHFFFAOYSA-N -1 1 415.515 4.349 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)cc1C ZINC000518328323 927191399 /nfs/dbraw/zinc/19/13/99/927191399.db2.gz CTDSQAOCTWBPCH-UHFFFAOYSA-N -1 1 402.438 4.198 20 0 HIADMM CC(C)CCO[C@@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000519024854 927701234 /nfs/dbraw/zinc/70/12/34/927701234.db2.gz QPSXKFHDWPTTOD-HNNXBMFYSA-N -1 1 408.495 4.016 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)c2)n[nH]1 ZINC000519059590 927735453 /nfs/dbraw/zinc/73/54/53/927735453.db2.gz DZNIKRKEXQQBHB-UHFFFAOYSA-N -1 1 420.494 4.160 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1C ZINC000519123289 927790639 /nfs/dbraw/zinc/79/06/39/927790639.db2.gz UASHOQZLENGYIV-GOSISDBHSA-N -1 1 400.544 4.427 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000519217410 927832021 /nfs/dbraw/zinc/83/20/21/927832021.db2.gz GIDDVPNPUWCDET-UHFFFAOYSA-N -1 1 421.478 4.500 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)c2ccccc12 ZINC000519477464 927976138 /nfs/dbraw/zinc/97/61/38/927976138.db2.gz WQWDPJHQJNPDKZ-UHFFFAOYSA-N -1 1 407.495 4.440 20 0 HIADMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000519553155 928012758 /nfs/dbraw/zinc/01/27/58/928012758.db2.gz GDADZOLWFHWYSW-VWLOTQADSA-N -1 1 401.500 4.472 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](C)CC3)c2)cc1 ZINC000519873508 928106146 /nfs/dbraw/zinc/10/61/46/928106146.db2.gz ZPHORJAXNBSRQV-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000519945426 928179004 /nfs/dbraw/zinc/17/90/04/928179004.db2.gz OAKVWZDWXPYZSY-INIZCTEOSA-N -1 1 410.495 4.128 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c(C)c1 ZINC000519993908 928222506 /nfs/dbraw/zinc/22/25/06/928222506.db2.gz ZWBMSPRFNKFXQY-QGZVFWFLSA-N -1 1 418.559 4.359 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)c3ccccn3)cc2)c1 ZINC000520087901 928302155 /nfs/dbraw/zinc/30/21/55/928302155.db2.gz JPZYDPVGCGWWIL-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1 ZINC000520096369 928308350 /nfs/dbraw/zinc/30/83/50/928308350.db2.gz GIJTYKVOAXMFFF-IBGZPJMESA-N -1 1 401.488 4.004 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000520132355 928330153 /nfs/dbraw/zinc/33/01/53/928330153.db2.gz GXFJURTXHZRLLN-UHFFFAOYSA-N -1 1 402.376 4.143 20 0 HIADMM CSC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000520186405 928375042 /nfs/dbraw/zinc/37/50/42/928375042.db2.gz LRDQPYZZIMKNHA-CYBMUJFWSA-N -1 1 412.964 4.387 20 0 HIADMM CC1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CCCC1 ZINC000520369488 928525818 /nfs/dbraw/zinc/52/58/18/928525818.db2.gz GIVMCHMRMWGNHM-UHFFFAOYSA-N -1 1 410.898 4.342 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCSC12CCCCC2 ZINC000520451256 928572107 /nfs/dbraw/zinc/57/21/07/928572107.db2.gz KQYSDVYWUSEUMO-UHFFFAOYSA-N -1 1 416.568 4.337 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cnc(C2CC2)s1 ZINC000520511423 928610783 /nfs/dbraw/zinc/61/07/83/928610783.db2.gz XWLGFXSMFVRCCL-UHFFFAOYSA-N -1 1 417.487 4.213 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1C ZINC000520702500 928748251 /nfs/dbraw/zinc/74/82/51/928748251.db2.gz SZCWZHDRZMILCG-KRWDZBQOSA-N -1 1 416.543 4.127 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc4n3CCCC4)cc2)cc1Cl ZINC000520881058 928858082 /nfs/dbraw/zinc/85/80/82/928858082.db2.gz ZIIVMUOMKSISIF-UHFFFAOYSA-N -1 1 417.918 4.349 20 0 HIADMM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000520953244 928887899 /nfs/dbraw/zinc/88/78/99/928887899.db2.gz WWMHOVNCGWYRME-HXUWFJFHSA-N -1 1 408.546 4.244 20 0 HIADMM Cn1cc(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc21 ZINC000520954602 928888734 /nfs/dbraw/zinc/88/87/34/928888734.db2.gz SAWPGKWPDUZSAG-UHFFFAOYSA-N -1 1 419.506 4.160 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](C)CC3)cc2)cc1C ZINC000521097401 928993418 /nfs/dbraw/zinc/99/34/18/928993418.db2.gz SZKWNQSSNKFOGG-MRXNPFEDSA-N -1 1 400.544 4.366 20 0 HIADMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000521156817 929030735 /nfs/dbraw/zinc/03/07/35/929030735.db2.gz CRRYBYOOXUYFMT-AOMKIAJQSA-N -1 1 406.507 4.151 20 0 HIADMM CC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccc1F ZINC000521287611 929102783 /nfs/dbraw/zinc/10/27/83/929102783.db2.gz XPBMNYUXAZKPTO-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3[nH]cnc3c2)c1 ZINC000521583874 929311895 /nfs/dbraw/zinc/31/18/95/929311895.db2.gz UHBVURDPPSJFHD-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3(C)CCCC3)cc2)cc1 ZINC000521770321 929431384 /nfs/dbraw/zinc/43/13/84/929431384.db2.gz AAZZEDPMNYHVMR-UHFFFAOYSA-N -1 1 416.543 4.196 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N([C@H](C)C(C)C)C3CC3)c2)cc1 ZINC000521799458 929459449 /nfs/dbraw/zinc/45/94/49/929459449.db2.gz KFAJVGVLLLRGEV-QGZVFWFLSA-N -1 1 400.544 4.445 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3ccc(F)c(F)c3)no2)c1)c1ccccc1 ZINC000521909560 929554119 /nfs/dbraw/zinc/55/41/19/929554119.db2.gz AKTVYFZANTUEHZ-UHFFFAOYSA-N -1 1 413.405 4.483 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](C)[C@@H]3C)c2)c1 ZINC000524653664 929766758 /nfs/dbraw/zinc/76/67/58/929766758.db2.gz GIEYYJCETUTICT-AEFFLSMTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](C)[C@H]3C)c2)c1 ZINC000524655147 929767997 /nfs/dbraw/zinc/76/79/97/929767997.db2.gz XXRYQDFRTJXYNY-FUHWJXTLSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000524846978 929855779 /nfs/dbraw/zinc/85/57/79/929855779.db2.gz HKFYDUIVVURQAC-HKUYNNGSSA-N -1 1 400.544 4.494 20 0 HIADMM CCCCN(Cc1ccccc1F)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000524898417 929878893 /nfs/dbraw/zinc/87/88/93/929878893.db2.gz OPNLYOFXWDMHBL-UHFFFAOYSA-N -1 1 423.510 4.040 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1OCC1CCCCC1 ZINC000524955655 929918551 /nfs/dbraw/zinc/91/85/51/929918551.db2.gz ZNEDLDDMVDEJIN-UHFFFAOYSA-N -1 1 416.543 4.162 20 0 HIADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000525069618 930015624 /nfs/dbraw/zinc/01/56/24/930015624.db2.gz CMMYASOEYJFRNH-UHFFFAOYSA-N -1 1 418.284 4.498 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)S[C@H](C)C2)c1 ZINC000525203929 930086115 /nfs/dbraw/zinc/08/61/15/930086115.db2.gz VGYHDJCTEJTNHX-IAGOWNOFSA-N -1 1 418.584 4.070 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCC(C2CC2)C2CC2)c1 ZINC000525261904 930115580 /nfs/dbraw/zinc/11/55/80/930115580.db2.gz QKEHRWMUOWHJLI-UHFFFAOYSA-N -1 1 416.518 4.101 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000525535805 930308852 /nfs/dbraw/zinc/30/88/52/930308852.db2.gz RPLHKBRQYFJKBU-UHFFFAOYSA-N -1 1 407.797 4.032 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)cc1 ZINC000525604385 930357523 /nfs/dbraw/zinc/35/75/23/930357523.db2.gz NMJUZUDUZGLJCJ-GOSISDBHSA-N -1 1 420.534 4.383 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]3Cc3ccccc3)c2)c1 ZINC000525615346 930362979 /nfs/dbraw/zinc/36/29/79/930362979.db2.gz RCIODXKEXIIOIT-NFBKMPQASA-N -1 1 420.534 4.157 20 0 HIADMM CCO[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000527116754 930595281 /nfs/dbraw/zinc/59/52/81/930595281.db2.gz ANCWUVSORMSXER-KRWDZBQOSA-N -1 1 414.886 4.034 20 0 HIADMM O=S(=O)([N-]Cc1ncc(-c2ccccc2)o1)c1ccc(Cl)c(F)c1Cl ZINC000530385401 930698612 /nfs/dbraw/zinc/69/86/12/930698612.db2.gz FQTANQSBJVVVSF-UHFFFAOYSA-N -1 1 401.246 4.266 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530576109 930755914 /nfs/dbraw/zinc/75/59/14/930755914.db2.gz VFHGASXEZRPXLX-UHFFFAOYSA-N -1 1 423.432 4.212 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000530576109 930755917 /nfs/dbraw/zinc/75/59/17/930755917.db2.gz VFHGASXEZRPXLX-UHFFFAOYSA-N -1 1 423.432 4.212 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccc(O)cc3)cc2)cc1C ZINC000530606527 930770430 /nfs/dbraw/zinc/77/04/30/930770430.db2.gz PSNNIHFOGTWMNC-UHFFFAOYSA-N -1 1 424.522 4.082 20 0 HIADMM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000530777422 930821319 /nfs/dbraw/zinc/82/13/19/930821319.db2.gz GJCLTDDGHKVFJJ-VOIUYBSRSA-N -1 1 406.530 4.293 20 0 HIADMM C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc2ccccc2c1 ZINC000531237420 930977554 /nfs/dbraw/zinc/97/75/54/930977554.db2.gz FRYGDEGWUUMMCO-INIZCTEOSA-N -1 1 424.522 4.072 20 0 HIADMM C[C@@H](C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C(C)(C)C ZINC000531351781 931027438 /nfs/dbraw/zinc/02/74/38/931027438.db2.gz ZQHHCRJNFPAILT-LBPRGKRZSA-N -1 1 410.923 4.467 20 0 HIADMM O=C1CCC(c2ccc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2)=NN1 ZINC000531384036 931038555 /nfs/dbraw/zinc/03/85/55/931038555.db2.gz BKFUQXDAKXUYPQ-UHFFFAOYSA-N -1 1 419.462 4.001 20 0 HIADMM NC(=O)N[C@@H](CC(=O)Nc1ccc(F)cc1[O-])c1cccc(Oc2ccccc2)c1 ZINC000532012705 931284112 /nfs/dbraw/zinc/28/41/12/931284112.db2.gz UJZLSPYALGJESJ-IBGZPJMESA-N -1 1 409.417 4.062 20 0 HIADMM Cc1ccc(-n2c(SCC(=O)c3ccc([O-])cc3)nnc2-c2ccccn2)cc1 ZINC000532016781 931286140 /nfs/dbraw/zinc/28/61/40/931286140.db2.gz BTFHAXSUFHKCBN-UHFFFAOYSA-N -1 1 402.479 4.318 20 0 HIADMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)c2)n1C ZINC000532560837 931522340 /nfs/dbraw/zinc/52/23/40/931522340.db2.gz OBAUUOKCZZPHNA-UHFFFAOYSA-N -1 1 418.478 4.491 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000533125950 931776043 /nfs/dbraw/zinc/77/60/43/931776043.db2.gz JSRLGWZIJXHOCE-UHFFFAOYSA-N -1 1 403.910 4.125 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 ZINC000533653666 931949421 /nfs/dbraw/zinc/94/94/21/931949421.db2.gz MPJVSSZPSUYPKW-UHFFFAOYSA-N -1 1 402.756 4.197 20 0 HIADMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533692997 931972842 /nfs/dbraw/zinc/97/28/42/931972842.db2.gz NJBLUFFLIAPVAE-UHFFFAOYSA-N -1 1 400.928 4.142 20 0 HIADMM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000533887115 932081755 /nfs/dbraw/zinc/08/17/55/932081755.db2.gz AOKWSMQIDYENPO-QGZVFWFLSA-N -1 1 424.522 4.313 20 0 HIADMM CN1CC[C@@H](CNC(=O)CC2(C(=O)[O-])CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534241741 932360176 /nfs/dbraw/zinc/36/01/76/932360176.db2.gz KNKBCTHVYFAIJZ-KXBFYZLASA-N -1 1 410.917 4.013 20 0 HIADMM CCc1noc(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000534428740 932444185 /nfs/dbraw/zinc/44/41/85/932444185.db2.gz YUCBJEOOXWCGGX-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1csc([C@@H]2CCCO2)n1 ZINC000535155494 932972349 /nfs/dbraw/zinc/97/23/49/932972349.db2.gz DEZWOTJWSBYWBR-ZDUSSCGKSA-N -1 1 406.920 4.343 20 0 HIADMM CC(C)N(CC(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000535224358 933028044 /nfs/dbraw/zinc/02/80/44/933028044.db2.gz GEZWLWGEIGQKFO-UHFFFAOYSA-N -1 1 416.877 4.257 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)cc1CC ZINC000535234753 933031857 /nfs/dbraw/zinc/03/18/57/933031857.db2.gz SXTUUCUEUTYZGJ-UHFFFAOYSA-N -1 1 401.532 4.240 20 0 HIADMM Cc1nc(-c2ccc(N[C@H](CO)c3ccc(C(F)(F)F)cc3)nc2)[n-]c(=O)c1C ZINC000535358815 933090889 /nfs/dbraw/zinc/09/08/89/933090889.db2.gz PWMXYBYSFJFRIK-MRXNPFEDSA-N -1 1 404.392 4.025 20 0 HIADMM CC(C)CNS(=O)(=O)c1ccc(-c2nc3scc(C(C)C)c3c(=O)[n-]2)cc1 ZINC000535391529 933111088 /nfs/dbraw/zinc/11/10/88/933111088.db2.gz MBXXMOBCFUFQDP-UHFFFAOYSA-N -1 1 405.545 4.122 20 0 HIADMM CCc1onc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000535493557 933181998 /nfs/dbraw/zinc/18/19/98/933181998.db2.gz YGKUKNIDOGZQMS-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCOCC1)c1c(Cl)cccc1Cl ZINC000535528109 933218837 /nfs/dbraw/zinc/21/88/37/933218837.db2.gz HWAHBBMTLYQYQN-UHFFFAOYSA-N -1 1 422.280 4.256 20 0 HIADMM CN1CC[C@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535691783 933346311 /nfs/dbraw/zinc/34/63/11/933346311.db2.gz MEPGGKUSRIHSCR-FOIQADDNSA-N -1 1 410.917 4.013 20 0 HIADMM CN1CC[C@@H](CNC(=O)CC2(CC(=O)[O-])CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535691874 933346817 /nfs/dbraw/zinc/34/68/17/933346817.db2.gz OWXGKIQFOWDJAL-KKSFZXQISA-N -1 1 424.944 4.403 20 0 HIADMM Cc1n[nH]c2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)ccc12 ZINC000535818524 933412317 /nfs/dbraw/zinc/41/23/17/933412317.db2.gz SETGIIXKUZRDJC-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)c1 ZINC000535848715 933430707 /nfs/dbraw/zinc/43/07/07/933430707.db2.gz ARLDQTAHZPYHCO-UHFFFAOYSA-N -1 1 406.486 4.145 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2cccs2)cc1 ZINC000535852038 933435226 /nfs/dbraw/zinc/43/52/26/933435226.db2.gz CXCJFZDSPMDZQD-UHFFFAOYSA-N -1 1 414.552 4.220 20 0 HIADMM CCOc1ccccc1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000535884541 933464332 /nfs/dbraw/zinc/46/43/32/933464332.db2.gz GHOLOQUSIICHQD-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM CCc1noc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000535915332 933488914 /nfs/dbraw/zinc/48/89/14/933488914.db2.gz QLNIDFNZOMIMSZ-UHFFFAOYSA-N -1 1 417.462 4.046 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)(C)c3cccnc3)ccc2C)c1 ZINC000536093187 933642419 /nfs/dbraw/zinc/64/24/19/933642419.db2.gz NJNAFDMGKWFUGG-UHFFFAOYSA-N -1 1 423.538 4.416 20 0 HIADMM CCOC(=O)c1sc2ncc(S(=O)(=O)[N-]c3ccsc3Cl)cc2c1C ZINC000562446174 945079225 /nfs/dbraw/zinc/07/92/25/945079225.db2.gz LTLTZVLXNFYNTD-UHFFFAOYSA-N -1 1 416.933 4.297 20 0 HIADMM COc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])c(Br)c1 ZINC000537597671 938331543 /nfs/dbraw/zinc/33/15/43/938331543.db2.gz RYGSVUSXPDRESU-UHFFFAOYSA-N -1 1 415.081 4.487 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H](C)O[C@@H](C)C3)ccc2C)c1 ZINC000537649866 938346758 /nfs/dbraw/zinc/34/67/58/938346758.db2.gz KGLIINKOCQBKRF-BCDXTJNWSA-N -1 1 416.543 4.246 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4c(c3)CCO4)c2)cc1 ZINC000537874065 938396476 /nfs/dbraw/zinc/39/64/76/938396476.db2.gz XRSVBYUIXLGGEX-UHFFFAOYSA-N -1 1 409.507 4.278 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C(C)C)ccc2Cl)sc1C ZINC000538015427 938462806 /nfs/dbraw/zinc/46/28/06/938462806.db2.gz KOHJKQJWOOWWTH-UHFFFAOYSA-N -1 1 400.953 4.300 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000538034946 938475245 /nfs/dbraw/zinc/47/52/45/938475245.db2.gz PNNIZHWZJHRFAS-KRWDZBQOSA-N -1 1 424.563 4.149 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(F)c3)c2)cc1 ZINC000538136923 938516516 /nfs/dbraw/zinc/51/65/16/938516516.db2.gz HTRITEHAQKAEGE-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM C[C@@H]1CC[C@@H](C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])C1 ZINC000538460252 938627332 /nfs/dbraw/zinc/62/73/32/938627332.db2.gz YIUVCVPKTBJDSA-CHWSQXEVSA-N -1 1 408.907 4.221 20 0 HIADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Nc1ccc(F)cc1 ZINC000538496512 938635605 /nfs/dbraw/zinc/63/56/05/938635605.db2.gz NFMKFGWMHGQBSB-UHFFFAOYSA-N -1 1 416.430 4.077 20 0 HIADMM O=C([N-]c1nnc(-c2cc(Br)ccc2F)s1)c1ocnc1C1CC1 ZINC000563476351 945197021 /nfs/dbraw/zinc/19/70/21/945197021.db2.gz WCHWEWOWOCPADO-UHFFFAOYSA-N -1 1 409.240 4.224 20 0 HIADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)c1 ZINC000538755993 938703126 /nfs/dbraw/zinc/70/31/26/938703126.db2.gz AMBHWBYTCWWKPW-UHFFFAOYSA-N -1 1 414.980 4.216 20 0 HIADMM Cc1cccc(C2=CCN(C(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)CC2)c1 ZINC000539995137 939032977 /nfs/dbraw/zinc/03/29/77/939032977.db2.gz JKAUOQPLPHXULR-UHFFFAOYSA-N -1 1 414.509 4.110 20 0 HIADMM CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000563607629 945224872 /nfs/dbraw/zinc/22/48/72/945224872.db2.gz ADNPTFOHEZDJSO-MOPGFXCFSA-N -1 1 422.934 4.285 20 0 HIADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000540116933 939078477 /nfs/dbraw/zinc/07/84/77/939078477.db2.gz KRKIEDPLRHZCBH-CZUORRHYSA-N -1 1 408.470 4.169 20 0 HIADMM CO[C@H](c1ccc(Br)cc1)[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000540217121 939132830 /nfs/dbraw/zinc/13/28/30/939132830.db2.gz KFTZDXKQVRTBJU-SGTLLEGYSA-N -1 1 424.316 4.250 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000540250353 939168240 /nfs/dbraw/zinc/16/82/40/939168240.db2.gz UBEWUZGNJPTNTQ-QWHCGFSZSA-N -1 1 417.289 4.246 20 0 HIADMM Cc1ccc(S[C@@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c2ccccc2)c(C)c1 ZINC000540423290 939242825 /nfs/dbraw/zinc/24/28/25/939242825.db2.gz RCMRDUFSTKIGOA-UYAOXDASSA-N -1 1 407.543 4.056 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1Cl ZINC000541164935 939483545 /nfs/dbraw/zinc/48/35/45/939483545.db2.gz IFIUQJOGBLRMAJ-SECBINFHSA-N -1 1 400.283 4.320 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)c(C)c1F ZINC000541174392 939484314 /nfs/dbraw/zinc/48/43/14/939484314.db2.gz FNQVDAKSROTFSD-UHFFFAOYSA-N -1 1 406.401 4.028 20 0 HIADMM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1F ZINC000541306438 939490420 /nfs/dbraw/zinc/49/04/20/939490420.db2.gz LAADEEYSLDKZRN-UHFFFAOYSA-N -1 1 407.385 4.197 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C[C@H]2CC=CCC2)c1 ZINC000541531982 939545380 /nfs/dbraw/zinc/54/53/80/939545380.db2.gz WDDGLASFCOEMCB-KRWDZBQOSA-N -1 1 416.518 4.363 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2O)c(C)c1CC(=O)[O-] ZINC000542007975 939682911 /nfs/dbraw/zinc/68/29/11/939682911.db2.gz BQWHHRRPEHABSJ-UHFFFAOYSA-N -1 1 405.516 4.043 20 0 HIADMM COC(=O)Cc1ccc(-c2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)cc1C ZINC000542018836 939688100 /nfs/dbraw/zinc/68/81/00/939688100.db2.gz BAJRYZRFCMILFL-UHFFFAOYSA-N -1 1 420.490 4.351 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c(Cl)c1Cl ZINC000542232734 939767355 /nfs/dbraw/zinc/76/73/55/939767355.db2.gz OSEFVTWFNXYAAN-JTQLQIEISA-N -1 1 418.298 4.381 20 0 HIADMM CC(C)OCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000542296091 939788671 /nfs/dbraw/zinc/78/86/71/939788671.db2.gz XDTVCWYPZRWLRN-UHFFFAOYSA-N -1 1 410.923 4.285 20 0 HIADMM C[C@@H](CN(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)c1nccs1 ZINC000542313521 939796084 /nfs/dbraw/zinc/79/60/84/939796084.db2.gz VGMPCKYTJASEQM-LBPRGKRZSA-N -1 1 414.531 4.483 20 0 HIADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000542417683 939817737 /nfs/dbraw/zinc/81/77/37/939817737.db2.gz GIFMUGQNONOOGU-HNNXBMFYSA-N -1 1 422.497 4.274 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c(C)c1C ZINC000563745200 945278676 /nfs/dbraw/zinc/27/86/76/945278676.db2.gz AHDAPHHXEYODKZ-UHFFFAOYSA-N -1 1 410.495 4.164 20 0 HIADMM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1F ZINC000542984008 939891382 /nfs/dbraw/zinc/89/13/82/939891382.db2.gz FZKRNEULJKQYPP-UHFFFAOYSA-N -1 1 424.469 4.173 20 0 HIADMM Cc1ccc(C(=O)N2CCC=C(F)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000543126373 939959255 /nfs/dbraw/zinc/95/92/55/939959255.db2.gz ZYAGPBBCLVNHSO-UHFFFAOYSA-N -1 1 408.882 4.149 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000543524185 940095878 /nfs/dbraw/zinc/09/58/78/940095878.db2.gz VUFZPWAIRYZKSV-UHFFFAOYSA-N -1 1 423.322 4.351 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3ccc(O)cc32)c1 ZINC000543581689 940118842 /nfs/dbraw/zinc/11/88/42/940118842.db2.gz OFNFFFIUJHALQW-UHFFFAOYSA-N -1 1 403.394 4.052 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1 ZINC000543947170 940260362 /nfs/dbraw/zinc/26/03/62/940260362.db2.gz BZYSMZRPGVCANN-UCNVEGJOSA-N -1 1 412.555 4.447 20 0 HIADMM COc1ccc(-c2cc3[n-]c(CN(C)CCc4ccccc4O)nc(=O)c3s2)cc1 ZINC000544190820 940348262 /nfs/dbraw/zinc/34/82/62/940348262.db2.gz RPOKWASSTUPKFO-UHFFFAOYSA-N -1 1 421.522 4.040 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC(C)(C)C1 ZINC000544321689 940390018 /nfs/dbraw/zinc/39/00/18/940390018.db2.gz WMNFKDMGJPLXJN-OAHLLOKOSA-N -1 1 404.507 4.135 20 0 HIADMM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(I)c([O-])c1 ZINC000544869683 940520587 /nfs/dbraw/zinc/52/05/87/940520587.db2.gz YOBMHBHFVXOJTC-UHFFFAOYSA-N -1 1 411.243 4.020 20 0 HIADMM O=C(NCCCc1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544892166 940522448 /nfs/dbraw/zinc/52/24/48/940522448.db2.gz FUOYHIXZYJWSNO-UHFFFAOYSA-N -1 1 409.511 4.242 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(CSc2ccc(Cl)cc2)no1 ZINC000544905904 940523695 /nfs/dbraw/zinc/52/36/95/940523695.db2.gz DWUUVPCZIPCWNE-JTQLQIEISA-N -1 1 415.949 4.116 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(CCCOC(C)C)no3)cc2)cc1 ZINC000545052416 940537221 /nfs/dbraw/zinc/53/72/21/940537221.db2.gz FHKWSJUSDNDVEK-UHFFFAOYSA-N -1 1 415.515 4.203 20 0 HIADMM CCS[C@H](C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000545069995 940538937 /nfs/dbraw/zinc/53/89/37/940538937.db2.gz GYXWPXTZYNKVFH-GFCCVEGCSA-N -1 1 407.492 4.491 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc([C@H](C)C2CC2)no1 ZINC000545089880 940541617 /nfs/dbraw/zinc/54/16/17/940541617.db2.gz HIOBAQNAMBJGLU-CYBMUJFWSA-N -1 1 401.463 4.498 20 0 HIADMM CCOc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc(Cl)c1[O-] ZINC000545137381 940548081 /nfs/dbraw/zinc/54/80/81/940548081.db2.gz LTDAVXHPXONDCQ-LBPRGKRZSA-N -1 1 413.276 4.246 20 0 HIADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000545381598 940567404 /nfs/dbraw/zinc/56/74/04/940567404.db2.gz PRHMPBHFUQCOBZ-UHFFFAOYSA-N -1 1 420.332 4.112 20 0 HIADMM C[C@H](Cc1cccs1)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545514035 940572646 /nfs/dbraw/zinc/57/26/46/940572646.db2.gz MPNUNAZAVJZXCA-OAHLLOKOSA-N -1 1 415.540 4.302 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@@H]1c1ccccn1 ZINC000545514324 940572712 /nfs/dbraw/zinc/57/27/12/940572712.db2.gz PNQRVCUOJFYJHG-OAQYLSRUSA-N -1 1 422.510 4.251 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(Cc4ccncc4)no3)cc2)cc1C ZINC000545595024 940576431 /nfs/dbraw/zinc/57/64/31/940576431.db2.gz DHBLWNLXXOPPBW-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(C3Cc4ccccc4C3)no2)c1)c1ccccc1 ZINC000545671693 940579902 /nfs/dbraw/zinc/57/99/02/940579902.db2.gz JMABWUQVHPVILZ-UHFFFAOYSA-N -1 1 417.490 4.420 20 0 HIADMM Cc1csc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)n2)n1 ZINC000545795998 940598767 /nfs/dbraw/zinc/59/87/67/940598767.db2.gz CZUKQAXLAZJHFM-UHFFFAOYSA-N -1 1 416.459 4.108 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC2Cc3ccccc3C2)c1 ZINC000545848451 940631609 /nfs/dbraw/zinc/63/16/09/940631609.db2.gz WEPJSJYNGPLXJA-UHFFFAOYSA-N -1 1 420.534 4.001 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)cc(Cl)c1[O-] ZINC000545856522 940639201 /nfs/dbraw/zinc/63/92/01/940639201.db2.gz AEFGKSVVNWELQG-BZNIZROVSA-N -1 1 418.877 4.045 20 0 HIADMM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC[C@@H]2C)cc1C ZINC000545858214 940640578 /nfs/dbraw/zinc/64/05/78/940640578.db2.gz LVGNPFMUTGJVAK-SFHVURJKSA-N -1 1 418.559 4.200 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCCSc2ccccc21 ZINC000546169252 940720739 /nfs/dbraw/zinc/72/07/39/940720739.db2.gz JHEMYZOABOJHGL-UHFFFAOYSA-N -1 1 411.264 4.139 20 0 HIADMM O=C(Nc1cccc(CC(F)(F)F)c1)c1ccc(I)c([O-])c1 ZINC000546202370 940728489 /nfs/dbraw/zinc/72/84/89/940728489.db2.gz KEYIRAHKJPZJPK-UHFFFAOYSA-N -1 1 421.156 4.354 20 0 HIADMM O=C(NCc1ccc(F)c(F)c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546224473 940735263 /nfs/dbraw/zinc/73/52/63/940735263.db2.gz YQHNMNAOUWFKST-UHFFFAOYSA-N -1 1 417.437 4.087 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(Cc4ccccn4)no3)cc2)cc1C ZINC000546254791 940749910 /nfs/dbraw/zinc/74/99/10/940749910.db2.gz HYGAHVVBBAEPHD-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccc(C)nc4)no3)c2)c1 ZINC000546283651 940763225 /nfs/dbraw/zinc/76/32/25/940763225.db2.gz FCJAYEBFXFIAOT-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4cncc(C)c4)no3)c2)c1 ZINC000546315675 940779416 /nfs/dbraw/zinc/77/94/16/940779416.db2.gz UDVSSFKKCZOCEJ-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM CCOc1cc(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc(Cl)c1[O-] ZINC000546563758 940854372 /nfs/dbraw/zinc/85/43/72/940854372.db2.gz JTGGBPHOGSLGEG-UHFFFAOYSA-N -1 1 407.854 4.278 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)cc(Cl)c1[O-] ZINC000546566462 940855222 /nfs/dbraw/zinc/85/52/22/940855222.db2.gz ZJJPUQVRQNWXAB-GJZGRUSLSA-N -1 1 418.921 4.306 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(OC(F)F)c(OCC)c2)cc(Cl)c1[O-] ZINC000546583940 940857965 /nfs/dbraw/zinc/85/79/65/940857965.db2.gz BTJAVXKJHXKZCT-UHFFFAOYSA-N -1 1 415.820 4.374 20 0 HIADMM CCOc1cc(C(=O)NCc2cc(F)cc(Br)c2)cc(Cl)c1[O-] ZINC000546585086 940858233 /nfs/dbraw/zinc/85/82/33/940858233.db2.gz CYAIBFAOHDUACP-UHFFFAOYSA-N -1 1 402.647 4.276 20 0 HIADMM CCO[C@H](CCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(C)C ZINC000546924303 940914484 /nfs/dbraw/zinc/91/44/84/940914484.db2.gz HPITWOFOUWBOMP-HXUWFJFHSA-N -1 1 419.547 4.060 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(OC(C)(C)C)cc2)no1 ZINC000546990159 940944402 /nfs/dbraw/zinc/94/44/02/940944402.db2.gz YDFOVUZAIJGWPH-LBPRGKRZSA-N -1 1 407.517 4.015 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nc([C@H]3Cc4ccccc43)no2)cc1 ZINC000547002449 940950742 /nfs/dbraw/zinc/95/07/42/940950742.db2.gz XEQAUQJFBAEFLS-FQEVSTJZSA-N -1 1 421.453 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(Cc4ccncc4)no3)c2)c1 ZINC000547007732 940953374 /nfs/dbraw/zinc/95/33/74/940953374.db2.gz GXCOJCXXDKPVSY-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM COc1cc(Cl)c([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1C ZINC000564063314 945367918 /nfs/dbraw/zinc/36/79/18/945367918.db2.gz IMGGZJVWNRHXAY-UHFFFAOYSA-N -1 1 413.776 4.496 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@@H](C)C4CC4)no3)cc2)cc1 ZINC000547212085 941033728 /nfs/dbraw/zinc/03/37/28/941033728.db2.gz GNQYYLNXLJIWIN-AWEZNQCLSA-N -1 1 413.499 4.450 20 0 HIADMM CCOc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000547259533 941046222 /nfs/dbraw/zinc/04/62/22/941046222.db2.gz OZQWZTAXYWYCHV-MAUKXSAKSA-N -1 1 414.260 4.497 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2oc3ccc(Cl)cc3c2C)n[n-]1 ZINC000548066770 941085109 /nfs/dbraw/zinc/08/51/09/941085109.db2.gz UUNOBJBFISNVRG-AWEZNQCLSA-N -1 1 418.881 4.207 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2oc3ccc(Cl)cc3c2C)[n-]1 ZINC000548066770 941085112 /nfs/dbraw/zinc/08/51/12/941085112.db2.gz UUNOBJBFISNVRG-AWEZNQCLSA-N -1 1 418.881 4.207 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2oc3ccc(Cl)cc3c2C)n1 ZINC000548066770 941085114 /nfs/dbraw/zinc/08/51/14/941085114.db2.gz UUNOBJBFISNVRG-AWEZNQCLSA-N -1 1 418.881 4.207 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)Cc2ccc(-c3ccccc3)cc2)n[n-]1 ZINC000548068053 941085374 /nfs/dbraw/zinc/08/53/74/941085374.db2.gz USAIWLAYTZRGJC-FQEVSTJZSA-N -1 1 420.513 4.095 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)Cc2ccc(-c3ccccc3)cc2)[n-]1 ZINC000548068053 941085376 /nfs/dbraw/zinc/08/53/76/941085376.db2.gz USAIWLAYTZRGJC-FQEVSTJZSA-N -1 1 420.513 4.095 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000548068053 941085378 /nfs/dbraw/zinc/08/53/78/941085378.db2.gz USAIWLAYTZRGJC-FQEVSTJZSA-N -1 1 420.513 4.095 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)n[n-]1 ZINC000548723725 941121646 /nfs/dbraw/zinc/12/16/46/941121646.db2.gz JWYONFNFIAYURW-ZCNNSNEGSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)[n-]1 ZINC000548723725 941121647 /nfs/dbraw/zinc/12/16/47/941121647.db2.gz JWYONFNFIAYURW-ZCNNSNEGSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)n1 ZINC000548723725 941121650 /nfs/dbraw/zinc/12/16/50/941121650.db2.gz JWYONFNFIAYURW-ZCNNSNEGSA-N -1 1 420.513 4.142 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000548942560 941131541 /nfs/dbraw/zinc/13/15/41/941131541.db2.gz APNGZDJPTSDTDM-GOSISDBHSA-N -1 1 404.800 4.086 20 0 HIADMM CC1=C(c2ccco2)CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000549167704 941167832 /nfs/dbraw/zinc/16/78/32/941167832.db2.gz BGTCHKQJXBGABK-UHFFFAOYSA-N -1 1 413.271 4.203 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(C)C)no3)cc2)c1 ZINC000549556213 941199212 /nfs/dbraw/zinc/19/92/12/941199212.db2.gz ZGHKRMNPAZBUEE-UHFFFAOYSA-N -1 1 403.529 4.307 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)CC(C)(C)C1CC1 ZINC000550574988 941341225 /nfs/dbraw/zinc/34/12/25/941341225.db2.gz KTLXRKXGCKVVNZ-UHFFFAOYSA-N -1 1 400.544 4.272 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccco4)no3)c2)cc1 ZINC000551050929 941400857 /nfs/dbraw/zinc/40/08/57/941400857.db2.gz YULRJPDVRRBCAF-UHFFFAOYSA-N -1 1 411.439 4.196 20 0 HIADMM O=S(=O)([N-][C@@H](c1cncc(Br)c1)C1CC1)c1cc2ccccc2o1 ZINC000551123104 941414306 /nfs/dbraw/zinc/41/43/06/941414306.db2.gz CNOZGDGVDZCCFS-QGZVFWFLSA-N -1 1 407.289 4.020 20 0 HIADMM Cc1cc2cc(CNC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)ccc2[nH]1 ZINC000552391840 941654164 /nfs/dbraw/zinc/65/41/64/941654164.db2.gz PESLOJHNNLLIKL-UHFFFAOYSA-N -1 1 419.506 4.207 20 0 HIADMM CC(C)(C)C(C)(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000552751059 941751853 /nfs/dbraw/zinc/75/18/53/941751853.db2.gz VSOVPHFDPZCJOY-UHFFFAOYSA-N -1 1 406.523 4.110 20 0 HIADMM COc1cc(C(=O)Nc2cc(C)cc(I)c2)cc(Cl)c1[O-] ZINC000553233808 941853829 /nfs/dbraw/zinc/85/38/29/941853829.db2.gz GTMLJSZSMJRZAH-UHFFFAOYSA-N -1 1 417.630 4.220 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000553331680 941868740 /nfs/dbraw/zinc/86/87/40/941868740.db2.gz RSKFBQADQVCFTD-IIBYNOLFSA-N -1 1 402.498 4.095 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000553368149 941873836 /nfs/dbraw/zinc/87/38/36/941873836.db2.gz SMRJSTORVURGOB-NRFANRHFSA-N -1 1 400.482 4.111 20 0 HIADMM CCc1c(C)sc2nc(-c3ccc(I)c([O-])c3)[nH]c(=O)c12 ZINC000553974697 942011491 /nfs/dbraw/zinc/01/14/91/942011491.db2.gz WNGFIJBICVAGND-UHFFFAOYSA-N -1 1 412.252 4.245 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000554030870 942022330 /nfs/dbraw/zinc/02/23/30/942022330.db2.gz XCZYNMXSWVNBMX-UHFFFAOYSA-N -1 1 419.407 4.245 20 0 HIADMM O=c1cc(C(F)F)nc(SCc2nc(-c3ccc(Br)s3)no2)[n-]1 ZINC000554944549 942327975 /nfs/dbraw/zinc/32/79/75/942327975.db2.gz RZMYQSPQZSIQQF-UHFFFAOYSA-N -1 1 421.248 4.286 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3cccc(C)n3)ccc2C)c1 ZINC000555088074 942382524 /nfs/dbraw/zinc/38/25/24/942382524.db2.gz XGRLPLIBZKCDQZ-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCC(=O)c2ccccc21 ZINC000555799262 942737066 /nfs/dbraw/zinc/73/70/66/942737066.db2.gz AEMUXPPYHLWURK-NRFANRHFSA-N -1 1 420.490 4.186 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1ccc(C(F)(F)F)c(F)c1 ZINC000556177709 942814440 /nfs/dbraw/zinc/81/44/40/942814440.db2.gz IGAZEGMTAPQBJA-UHFFFAOYSA-N -1 1 424.366 4.226 20 0 HIADMM O=C(Cc1cccc(Cl)c1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000556257043 942827622 /nfs/dbraw/zinc/82/76/22/942827622.db2.gz XQLTYRFUAXHSMG-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c(=O)c3c2)c1 ZINC000556351440 942848309 /nfs/dbraw/zinc/84/83/09/942848309.db2.gz ZJZBMNXNDSHGJG-UHFFFAOYSA-N -1 1 420.874 4.045 20 0 HIADMM COc1nc2ccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc2s1 ZINC000556350598 942848462 /nfs/dbraw/zinc/84/84/62/942848462.db2.gz FZAOKHLMURJGOB-UHFFFAOYSA-N -1 1 402.501 4.036 20 0 HIADMM CCc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000557005540 942992378 /nfs/dbraw/zinc/99/23/78/942992378.db2.gz WXXQBZGCNPGADM-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCc1ccc([C@H]2CCCN(C(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)cc1 ZINC000557689569 943259544 /nfs/dbraw/zinc/25/95/44/943259544.db2.gz SKAFZSXVJJLOEF-NRFANRHFSA-N -1 1 416.525 4.064 20 0 HIADMM O=S(=O)([N-]c1cccc(Br)c1Cl)c1cnc(-c2ccccc2)nc1 ZINC000559183975 943864595 /nfs/dbraw/zinc/86/45/95/943864595.db2.gz XGEDDAKLDBEVKG-UHFFFAOYSA-N -1 1 424.707 4.360 20 0 HIADMM Cc1nc(NC(=O)c2cncc([O-])c2)sc1Cc1cccc(Br)c1 ZINC000559493222 943981230 /nfs/dbraw/zinc/98/12/30/943981230.db2.gz GIPOOCKHUJGKHR-UHFFFAOYSA-N -1 1 404.289 4.158 20 0 HIADMM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000560014253 944129976 /nfs/dbraw/zinc/12/99/76/944129976.db2.gz VQEWSBBWNSKTLL-UHFFFAOYSA-N -1 1 405.278 4.072 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000560615644 944275604 /nfs/dbraw/zinc/27/56/04/944275604.db2.gz OHQFNYQORFWBLT-FGZHOGPDSA-N -1 1 424.497 4.221 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)cc2)c1C ZINC000560620602 944276573 /nfs/dbraw/zinc/27/65/73/944276573.db2.gz HVEPJSNXTIFOHR-FYYLOGMGSA-N -1 1 420.534 4.390 20 0 HIADMM O=C(NC1(C(F)F)CCCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000561085033 944439686 /nfs/dbraw/zinc/43/96/86/944439686.db2.gz LORXQDLIEHSQFV-UHFFFAOYSA-N -1 1 408.470 4.185 20 0 HIADMM Cc1ccc(C(=O)N2CC(C3CCC3)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000561094189 944445733 /nfs/dbraw/zinc/44/57/33/944445733.db2.gz DQKXJBWNBONTFP-UHFFFAOYSA-N -1 1 418.946 4.321 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000561255166 944530706 /nfs/dbraw/zinc/53/07/06/944530706.db2.gz GUQUBUMXLJJQLV-KRWDZBQOSA-N -1 1 402.498 4.237 20 0 HIADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000561439684 944598608 /nfs/dbraw/zinc/59/86/08/944598608.db2.gz ATNIQPWBDBTVMQ-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM CC[C@@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000561483356 944625887 /nfs/dbraw/zinc/62/58/87/944625887.db2.gz FMSAOBQVHNILGE-LLVKDONJSA-N -1 1 416.877 4.081 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(OC)c(OC)c1 ZINC000561544620 944665386 /nfs/dbraw/zinc/66/53/86/944665386.db2.gz WYZSLTXFWJABQU-CYBMUJFWSA-N -1 1 405.850 4.065 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC)c2)cc1 ZINC000561694929 944749879 /nfs/dbraw/zinc/74/98/79/944749879.db2.gz JIKAMLDXOBCXTD-UHFFFAOYSA-N -1 1 404.532 4.148 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)n1 ZINC000562117059 944950048 /nfs/dbraw/zinc/95/00/48/944950048.db2.gz JEEGLBKPIDCHFT-HXUWFJFHSA-N -1 1 401.488 4.117 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)CCCCF)c(C(F)(F)F)c1)c1ccoc1 ZINC000564129973 945392213 /nfs/dbraw/zinc/39/22/13/945392213.db2.gz WBIYVAIYFLKGIL-UHFFFAOYSA-N -1 1 408.373 4.042 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1Cl ZINC000565838573 945892133 /nfs/dbraw/zinc/89/21/33/945892133.db2.gz PKPXTFQARXKQNL-UHFFFAOYSA-N -1 1 401.875 4.161 20 0 HIADMM CN1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)[C@@H]1c1cccs1 ZINC000566519180 946026959 /nfs/dbraw/zinc/02/69/59/946026959.db2.gz LEOFRKYNPPXIFL-BDJLRTHQSA-N -1 1 420.934 4.041 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000566649083 946065434 /nfs/dbraw/zinc/06/54/34/946065434.db2.gz GASJGKLBZKVILW-CYBMUJFWSA-N -1 1 415.262 4.472 20 0 HIADMM Cn1cc(S(=O)(=O)[N-][C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)c(C(F)(F)F)n1 ZINC000566986907 946200494 /nfs/dbraw/zinc/20/04/94/946200494.db2.gz NYRODZAUQGGOAB-RISCZKNCSA-N -1 1 413.465 4.017 20 0 HIADMM Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)c(C(F)(F)F)n1 ZINC000566986905 946201538 /nfs/dbraw/zinc/20/15/38/946201538.db2.gz NYRODZAUQGGOAB-FZMZJTMJSA-N -1 1 413.465 4.017 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cc2c(cc1F)NC(=O)CC2 ZINC000567539522 946367636 /nfs/dbraw/zinc/36/76/36/946367636.db2.gz FVYYOLIYGGRTLW-UHFFFAOYSA-N -1 1 413.630 4.084 20 0 HIADMM COc1cc(OC)cc(Oc2cccc(CNC(=O)c3c(F)ccc([O-])c3F)c2)c1 ZINC000568063966 946453421 /nfs/dbraw/zinc/45/34/21/946453421.db2.gz FLXCCZAOAGFSKL-UHFFFAOYSA-N -1 1 415.392 4.410 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000568147476 946481623 /nfs/dbraw/zinc/48/16/23/946481623.db2.gz GMWGTXGKMCZMTA-NHCUHLMSSA-N -1 1 407.495 4.165 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000569041005 946805492 /nfs/dbraw/zinc/80/54/92/946805492.db2.gz MEEKNYSIKXPDQQ-FQEVSTJZSA-N -1 1 401.488 4.117 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Br)cc(OC)c2)c1 ZINC000569896249 947042405 /nfs/dbraw/zinc/04/24/05/947042405.db2.gz ZUEPTDBOXACRFZ-UHFFFAOYSA-N -1 1 420.712 4.058 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2Cl)c1C ZINC000569959295 947053268 /nfs/dbraw/zinc/05/32/68/947053268.db2.gz RUWCCQQLFKPGFV-UHFFFAOYSA-N -1 1 413.923 4.011 20 0 HIADMM O=S(=O)(Cc1ncc(-c2ccc(Cl)cc2)o1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000570896321 947389066 /nfs/dbraw/zinc/38/90/66/947389066.db2.gz VRTROFRAPNWWNQ-UHFFFAOYSA-N -1 1 417.849 4.498 20 0 HIADMM O=S(=O)(Cc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000570896321 947389082 /nfs/dbraw/zinc/38/90/82/947389082.db2.gz VRTROFRAPNWWNQ-UHFFFAOYSA-N -1 1 417.849 4.498 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)c(C)c1 ZINC000571585105 947713380 /nfs/dbraw/zinc/71/33/80/947713380.db2.gz ZHZQDIWYGYDWQA-UHFFFAOYSA-N -1 1 409.414 4.182 20 0 HIADMM CC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1C ZINC000571969165 947824831 /nfs/dbraw/zinc/82/48/31/947824831.db2.gz WFXBBUOALOWPKQ-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000572225203 947868050 /nfs/dbraw/zinc/86/80/50/947868050.db2.gz YBKCTBCCEKSSKX-SECBINFHSA-N -1 1 424.775 4.397 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000572451457 947911411 /nfs/dbraw/zinc/91/14/11/947911411.db2.gz SVPDTSWZFUXSDZ-UHFFFAOYSA-N -1 1 408.401 4.491 20 0 HIADMM CCC(CC)(OC)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000573170923 948099782 /nfs/dbraw/zinc/09/97/82/948099782.db2.gz RMMABOPZQQXKFE-UHFFFAOYSA-N -1 1 419.478 4.338 20 0 HIADMM O=C(c1c(F)cccc1Sc1ccc(Cl)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000573529501 948232314 /nfs/dbraw/zinc/23/23/14/948232314.db2.gz RQHMAIOKDJDADK-LBPRGKRZSA-N -1 1 417.897 4.163 20 0 HIADMM O=C(NCc1ccccc1)[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000574122130 948371207 /nfs/dbraw/zinc/37/12/07/948371207.db2.gz OKFQOGMGHNOKFS-QGZVFWFLSA-N -1 1 401.438 4.270 20 0 HIADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)C2)C1 ZINC000574356898 948421634 /nfs/dbraw/zinc/42/16/34/948421634.db2.gz CNVNTHMBIKWVQL-ZHRRBRCNSA-N -1 1 416.518 4.279 20 0 HIADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1cccc2ccsc21 ZINC000574444716 948445457 /nfs/dbraw/zinc/44/54/57/948445457.db2.gz ZXLBSZICZBEERA-UHFFFAOYSA-N -1 1 415.323 4.125 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1NC(=O)N(C)C ZINC000574737930 948518466 /nfs/dbraw/zinc/51/84/66/948518466.db2.gz UKWMSSLOPCVRPP-UHFFFAOYSA-N -1 1 421.522 4.461 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000574778451 948523688 /nfs/dbraw/zinc/52/36/88/948523688.db2.gz LBVWMPGMTFTGON-IBGZPJMESA-N -1 1 424.497 4.256 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C)(C)C(C)C)c2)cc1 ZINC000574777603 948523878 /nfs/dbraw/zinc/52/38/78/948523878.db2.gz WOXCXUKLFTXNNZ-UHFFFAOYSA-N -1 1 404.532 4.051 20 0 HIADMM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1(C)C ZINC000435939154 861201814 /nfs/dbraw/zinc/20/18/14/861201814.db2.gz UHARAWXFZDHLRD-BEFAXECRSA-N -1 1 414.527 4.067 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3CCC(F)(F)C3)cc2)cc1C ZINC000435954221 861216164 /nfs/dbraw/zinc/21/61/64/861216164.db2.gz BCMNRKAMTPCLOC-MRXNPFEDSA-N -1 1 422.497 4.269 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3CCC(F)(F)C3)cc2)c1 ZINC000435962686 861224530 /nfs/dbraw/zinc/22/45/30/861224530.db2.gz XPTXNGADIYUFAH-MRXNPFEDSA-N -1 1 422.497 4.269 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCC(F)(F)C2)c1 ZINC000435963518 861225133 /nfs/dbraw/zinc/22/51/33/861225133.db2.gz VELJHMIURYTTEW-INIZCTEOSA-N -1 1 422.497 4.269 20 0 HIADMM C[C@H]1C(=O)CC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1(C)C ZINC000436094886 861377676 /nfs/dbraw/zinc/37/76/76/861377676.db2.gz XPUAKYSYIFDOHL-HNAYVOBHSA-N -1 1 414.527 4.067 20 0 HIADMM CC(C)[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccnc1 ZINC000436134447 861426823 /nfs/dbraw/zinc/42/68/23/861426823.db2.gz STGWWKUXRPCECZ-NRFANRHFSA-N -1 1 409.511 4.261 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)n1 ZINC000436208112 861509469 /nfs/dbraw/zinc/50/94/69/861509469.db2.gz JDSFBLFAPHMASU-VHSXEESVSA-N -1 1 402.545 4.433 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 ZINC000004879279 845070040 /nfs/dbraw/zinc/07/00/40/845070040.db2.gz KSQWWIQDIUVWBO-UHFFFAOYSA-N -1 1 400.525 4.130 20 0 HIADMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006315675 845188940 /nfs/dbraw/zinc/18/89/40/845188940.db2.gz QKPNLXCLKPMJTQ-UHFFFAOYSA-N -1 1 405.657 4.120 20 0 HIADMM O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc([O-])cc1 ZINC000007131644 845260737 /nfs/dbraw/zinc/26/07/37/845260737.db2.gz YKOLLJLKELGQOQ-UHFFFAOYSA-N -1 1 402.475 4.125 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(F)cc3)c2)c1 ZINC000007227451 845289223 /nfs/dbraw/zinc/28/92/23/845289223.db2.gz QIZAYJGXMBHFBU-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM C[C@H]1c2ccsc2CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000007259334 845297431 /nfs/dbraw/zinc/29/74/31/845297431.db2.gz KRUFTTJGJYEABN-HNNXBMFYSA-N -1 1 412.536 4.308 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007419163 845327032 /nfs/dbraw/zinc/32/70/32/845327032.db2.gz GBLXADIWGVEYHR-UHFFFAOYSA-N -1 1 405.657 4.120 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)n1 ZINC000436251842 861562338 /nfs/dbraw/zinc/56/23/38/861562338.db2.gz JQMLAXQQBFKDHD-HXUWFJFHSA-N -1 1 413.930 4.396 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1OCC ZINC000007940246 845451348 /nfs/dbraw/zinc/45/13/48/845451348.db2.gz DZURMVXZTRYTTE-UHFFFAOYSA-N -1 1 419.499 4.326 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)cc1 ZINC000008033294 845464778 /nfs/dbraw/zinc/46/47/78/845464778.db2.gz NPYODHFOAVPKNW-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000008033568 845465520 /nfs/dbraw/zinc/46/55/20/845465520.db2.gz MHWJDRAVZBUXSU-KKSFZXQISA-N -1 1 416.543 4.195 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1F ZINC000008083638 845471886 /nfs/dbraw/zinc/47/18/86/845471886.db2.gz CSKYJVHODOCPGV-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCOc2ccc(C)cc2C)cc1 ZINC000009888616 845599832 /nfs/dbraw/zinc/59/98/32/845599832.db2.gz NDQKHEXTEWBVEW-UHFFFAOYSA-N -1 1 410.543 4.118 20 0 HIADMM CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000009903879 845602286 /nfs/dbraw/zinc/60/22/86/845602286.db2.gz SWHPVYFENMVFGS-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000010979866 845736313 /nfs/dbraw/zinc/73/63/13/845736313.db2.gz HLCPFCLZZNWIRH-UHFFFAOYSA-N -1 1 422.432 4.496 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCCCOC1CCCCC1 ZINC000011356194 845783719 /nfs/dbraw/zinc/78/37/19/845783719.db2.gz SVBZAILZTINLTA-UHFFFAOYSA-N -1 1 408.955 4.117 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2csc(CC(=O)Nc3ccccc3C)n2)n1 ZINC000011443569 845796784 /nfs/dbraw/zinc/79/67/84/845796784.db2.gz XCOOKPQMZAINIL-UHFFFAOYSA-N -1 1 414.556 4.373 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCc1ccc(OC(F)F)cc1 ZINC000011515126 845806854 /nfs/dbraw/zinc/80/68/54/845806854.db2.gz JHDSVJXUCCBLIV-UHFFFAOYSA-N -1 1 424.860 4.179 20 0 HIADMM Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1F ZINC000012488501 845875512 /nfs/dbraw/zinc/87/55/12/845875512.db2.gz CQGBZIAKAJNELY-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CSc1nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc2s1 ZINC000013342528 845914879 /nfs/dbraw/zinc/91/48/79/845914879.db2.gz ZSOREEKGWBKYAL-UHFFFAOYSA-N -1 1 414.917 4.171 20 0 HIADMM CCc1noc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000014889893 845989418 /nfs/dbraw/zinc/98/94/18/845989418.db2.gz GLCGQANGTHBKBK-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000015340006 846036633 /nfs/dbraw/zinc/03/66/33/846036633.db2.gz FQUZXLFOHPOMKF-KRWDZBQOSA-N -1 1 424.522 4.377 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000015340124 846036759 /nfs/dbraw/zinc/03/67/59/846036759.db2.gz GYUQJIOXBYYHQA-KRWDZBQOSA-N -1 1 424.522 4.377 20 0 HIADMM O=C(NCc1ccccc1Cl)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015584010 846066997 /nfs/dbraw/zinc/06/69/97/846066997.db2.gz ZJEVHGDOSGDLIW-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM Cc1ccc(NC(=O)c2ccncc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000015705101 846085369 /nfs/dbraw/zinc/08/53/69/846085369.db2.gz YQLDCDZDBCAGPE-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc(F)cc(F)c1 ZINC000015743960 846088796 /nfs/dbraw/zinc/08/87/96/846088796.db2.gz BXMLWEDDTWXTHW-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM O=C(/C=C/c1ccccc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015744125 846088889 /nfs/dbraw/zinc/08/88/89/846088889.db2.gz CALLDEYNRKIOQR-AWNIVKPZSA-N -1 1 414.433 4.418 20 0 HIADMM Cc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000015895849 846101794 /nfs/dbraw/zinc/10/17/94/846101794.db2.gz SBBLCTKAUFCWOV-UHFFFAOYSA-N -1 1 423.332 4.297 20 0 HIADMM CCc1ccc(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000016049662 846116008 /nfs/dbraw/zinc/11/60/08/846116008.db2.gz YUZNSFOXCHSJKE-UHFFFAOYSA-N -1 1 423.490 4.090 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000016094721 846123862 /nfs/dbraw/zinc/12/38/62/846123862.db2.gz VZYNZVUJVRPTKB-UHFFFAOYSA-N -1 1 422.222 4.471 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccccc2Cl)cc1 ZINC000017116950 846231105 /nfs/dbraw/zinc/23/11/05/846231105.db2.gz VRKPCTUIIUDUCB-UHFFFAOYSA-N -1 1 416.934 4.366 20 0 HIADMM C[C@@H](CCc1ccccc1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000017156314 846234259 /nfs/dbraw/zinc/23/42/59/846234259.db2.gz AWENLRVFACTCMP-SFHVURJKSA-N -1 1 408.523 4.239 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)ccc1F ZINC000017304569 846242565 /nfs/dbraw/zinc/24/25/65/846242565.db2.gz NLNADRHRCCGKSW-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccccc3C2)cc1 ZINC000017322117 846245433 /nfs/dbraw/zinc/24/54/33/846245433.db2.gz MXKABNQULSHRIO-UHFFFAOYSA-N -1 1 424.497 4.133 20 0 HIADMM C[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000017323697 846247287 /nfs/dbraw/zinc/24/72/87/846247287.db2.gz IBMAIBQVFBAPCW-MRXNPFEDSA-N -1 1 412.486 4.046 20 0 HIADMM O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000017356134 846249152 /nfs/dbraw/zinc/24/91/52/846249152.db2.gz PFJJPGWAABJTMP-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM CCCCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000017442790 846253537 /nfs/dbraw/zinc/25/35/37/846253537.db2.gz IBWXBMMMVLLNKO-UHFFFAOYSA-N -1 1 404.532 4.148 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3ccccc3C)c2)cc1 ZINC000018104845 846296500 /nfs/dbraw/zinc/29/65/00/846296500.db2.gz BROWWYLJXOWCBY-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000018120481 846298446 /nfs/dbraw/zinc/29/84/46/846298446.db2.gz RFRLWGVNQJWWFC-CALCHBBNSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1ccc(CSCCNC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000018202321 846309092 /nfs/dbraw/zinc/30/90/92/846309092.db2.gz HFBCPSILFPIONA-UHFFFAOYSA-N -1 1 412.584 4.274 20 0 HIADMM CC(C)Cn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccccc1F ZINC000018357170 846322776 /nfs/dbraw/zinc/32/27/76/846322776.db2.gz RUFLLGNDALETMA-UHFFFAOYSA-N -1 1 401.463 4.126 20 0 HIADMM C[C@@H](OC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000018993249 846351799 /nfs/dbraw/zinc/35/17/99/846351799.db2.gz CCRJEHSEPIQASD-MRXNPFEDSA-N -1 1 413.470 4.473 20 0 HIADMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000021859401 846503474 /nfs/dbraw/zinc/50/34/74/846503474.db2.gz IGDRGNCFPUVNGW-CYBMUJFWSA-N -1 1 419.856 4.171 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000021863946 846504786 /nfs/dbraw/zinc/50/47/86/846504786.db2.gz LQQHGMUOTJCOBH-HNNXBMFYSA-N -1 1 423.416 4.153 20 0 HIADMM O=C(CCc1ccccc1F)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000022265654 846551173 /nfs/dbraw/zinc/55/11/73/846551173.db2.gz RKKNYLUZCVUYRS-UHFFFAOYSA-N -1 1 408.454 4.467 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@@H](C)C#N)ccc2C)cc1 ZINC000023416916 846698699 /nfs/dbraw/zinc/69/86/99/846698699.db2.gz CZBWIRDJGBYWEB-INIZCTEOSA-N -1 1 400.500 4.207 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)o1 ZINC000023710235 846741912 /nfs/dbraw/zinc/74/19/12/846741912.db2.gz QWSSRLLNJGAOFU-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000024026359 846777128 /nfs/dbraw/zinc/77/71/28/846777128.db2.gz PGEZQVSTGMSHGJ-JOCHJYFZSA-N -1 1 406.507 4.369 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1cccc(OC(F)(F)F)c1 ZINC000024371150 846819369 /nfs/dbraw/zinc/81/93/69/846819369.db2.gz YZMPUZODFPOAAE-UHFFFAOYSA-N -1 1 415.389 4.428 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2C)c1 ZINC000024433851 846823018 /nfs/dbraw/zinc/82/30/18/846823018.db2.gz VWOPJBYLDYMVCN-UHFFFAOYSA-N -1 1 410.543 4.398 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3c(Cl)cccc3Cl)CCCCCC2)no1 ZINC000024689056 846854283 /nfs/dbraw/zinc/85/42/83/846854283.db2.gz OBTZHIDDMNXCBT-UHFFFAOYSA-N -1 1 404.319 4.213 20 0 HIADMM COc1cc(F)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000025311611 846957983 /nfs/dbraw/zinc/95/79/83/846957983.db2.gz MEEAFNUAPLGENO-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM COc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000025311041 846958016 /nfs/dbraw/zinc/95/80/16/846958016.db2.gz PNDRGXCQQUNXPR-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccnc(Cl)c1 ZINC000025384573 846971206 /nfs/dbraw/zinc/97/12/06/846971206.db2.gz FOYVUCGQURJKMN-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM Cc1ccsc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000025720204 847026203 /nfs/dbraw/zinc/02/62/03/847026203.db2.gz YDOJESHWMABYOZ-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000025719855 847026350 /nfs/dbraw/zinc/02/63/50/847026350.db2.gz ASPHQSXWENWFBB-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 ZINC000025742015 847028985 /nfs/dbraw/zinc/02/89/85/847028985.db2.gz VKUQBESWVGOMFS-UHFFFAOYSA-N -1 1 418.515 4.039 20 0 HIADMM O=S(=O)([N-]Cc1ccc(OC(F)(F)F)cc1)c1cc(Cl)sc1Cl ZINC000025768952 847033562 /nfs/dbraw/zinc/03/35/62/847033562.db2.gz VYFWTBFVSDZVMS-UHFFFAOYSA-N -1 1 406.234 4.432 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3ccc4ncsc4c3)n2)n[n-]c1=S ZINC000026090941 847081645 /nfs/dbraw/zinc/08/16/45/847081645.db2.gz ZTTGDMXWYWQXRY-UHFFFAOYSA-N -1 1 414.541 4.036 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)n2)n[n-]c1=S ZINC000026094455 847082827 /nfs/dbraw/zinc/08/28/27/847082827.db2.gz GNQBXAMYEUBTOU-HUUCEWRRSA-N -1 1 415.519 4.055 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccccc1OCC(F)(F)F ZINC000026137853 847094909 /nfs/dbraw/zinc/09/49/09/847094909.db2.gz XQRHIBXZBVUACW-UHFFFAOYSA-N -1 1 414.434 4.249 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000026252348 847111889 /nfs/dbraw/zinc/11/18/89/847111889.db2.gz GUIGSYDZPGPREJ-UHFFFAOYSA-N -1 1 422.754 4.175 20 0 HIADMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1OC ZINC000027128248 847251754 /nfs/dbraw/zinc/25/17/54/847251754.db2.gz WBVQHBKGCWQYDJ-NRFANRHFSA-N -1 1 424.522 4.377 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC(C)(C)C)cc2)cc1 ZINC000027362327 847289894 /nfs/dbraw/zinc/28/98/94/847289894.db2.gz QUIYEACABCJBRH-UHFFFAOYSA-N -1 1 404.532 4.052 20 0 HIADMM Cn1cnc(S(=O)(=O)[N-][C@@H](CCCc2ccccc2)c2ccccc2)c1Cl ZINC000027963960 847368853 /nfs/dbraw/zinc/36/88/53/847368853.db2.gz UNIQEQXUOYPPLC-SFHVURJKSA-N -1 1 403.935 4.116 20 0 HIADMM Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000028327717 847406243 /nfs/dbraw/zinc/40/62/43/847406243.db2.gz DGFHZSGIPGHRGI-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000028491275 847426321 /nfs/dbraw/zinc/42/63/21/847426321.db2.gz IQYSGEIASGDKRZ-AWEZNQCLSA-N -1 1 406.935 4.321 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000029234989 847528725 /nfs/dbraw/zinc/52/87/25/847528725.db2.gz VEGVJCGSTBXBEC-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N(C)C)c2)c1 ZINC000029692838 847601064 /nfs/dbraw/zinc/60/10/64/847601064.db2.gz BCMNRDPHBGSYCV-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 ZINC000029816309 847625074 /nfs/dbraw/zinc/62/50/74/847625074.db2.gz BNAXSJJTWLQNJW-UHFFFAOYSA-N -1 1 414.449 4.077 20 0 HIADMM COc1cc(NC(=O)c2ccccc2Nc2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000029967846 847660907 /nfs/dbraw/zinc/66/09/07/847660907.db2.gz MDJABQXRMIOZMK-UHFFFAOYSA-N -1 1 411.483 4.063 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1 ZINC000030001000 847667576 /nfs/dbraw/zinc/66/75/76/847667576.db2.gz WUGMFCIFKJKDIW-LPHOPBHVSA-N -1 1 400.544 4.447 20 0 HIADMM COc1cccc(C2(F)CCN(C(=O)c3ccc(Br)cc3[O-])CC2)c1 ZINC000436482415 861819802 /nfs/dbraw/zinc/81/98/02/861819802.db2.gz ABLZBJDYPAMKHL-UHFFFAOYSA-N -1 1 408.267 4.264 20 0 HIADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030381755 847708277 /nfs/dbraw/zinc/70/82/77/847708277.db2.gz SJPLIBQGUVPXGS-MGPUTAFESA-N -1 1 404.507 4.277 20 0 HIADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000030381651 847708400 /nfs/dbraw/zinc/70/84/00/847708400.db2.gz BDYHQVISQOWRQJ-FOIQADDNSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)C(C)(C)C)c2)cc1F ZINC000030424356 847713615 /nfs/dbraw/zinc/71/36/15/847713615.db2.gz HIEITOPIMGVAEU-OAHLLOKOSA-N -1 1 406.523 4.442 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000030476301 847718877 /nfs/dbraw/zinc/71/88/77/847718877.db2.gz SJJCWAPPNXFIFL-UHFFFAOYSA-N -1 1 404.507 4.421 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1)[C@@H]1CCCO1 ZINC000030531432 847730387 /nfs/dbraw/zinc/73/03/87/847730387.db2.gz OCSORQWDXNMEAO-NRFANRHFSA-N -1 1 422.506 4.272 20 0 HIADMM C[C@H]1c2ccsc2CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000030534963 847731472 /nfs/dbraw/zinc/73/14/72/847731472.db2.gz HEIRNGFJBHEBHK-HNNXBMFYSA-N -1 1 412.536 4.308 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)nc2)cc1 ZINC000030609605 847744562 /nfs/dbraw/zinc/74/45/62/847744562.db2.gz NJUUPFUONBSSHD-UHFFFAOYSA-N -1 1 401.923 4.013 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000436504688 861828559 /nfs/dbraw/zinc/82/85/59/861828559.db2.gz LXOARVVNGLJDTJ-UHFFFAOYSA-N -1 1 402.859 4.137 20 0 HIADMM COc1cccc2c1[C@@H](c1nc(-c3cc(Br)c([O-])c(OC)c3)no1)CC2 ZINC000436521043 861833030 /nfs/dbraw/zinc/83/30/30/861833030.db2.gz KFIHUNIJJNXOPH-LBPRGKRZSA-N -1 1 417.259 4.300 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3c(F)ccc(Br)c3F)no2)c1 ZINC000436522377 861834210 /nfs/dbraw/zinc/83/42/10/861834210.db2.gz LJBFFBQLTVLSFM-UHFFFAOYSA-N -1 1 424.201 4.032 20 0 HIADMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436532979 861839383 /nfs/dbraw/zinc/83/93/83/861839383.db2.gz SKUPNRQSZUBCKE-HXUWFJFHSA-N -1 1 404.466 4.106 20 0 HIADMM CC(=O)Nc1cccc([C@H](C)NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c1 ZINC000031308226 847860890 /nfs/dbraw/zinc/86/08/90/847860890.db2.gz QRSWTSPDAJCJBR-HNNXBMFYSA-N -1 1 423.542 4.142 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)CCO4)cc2)cc1C ZINC000031374256 847870749 /nfs/dbraw/zinc/87/07/49/847870749.db2.gz GXHNVHFBTOGISL-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM O=C(NCC1CCC1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000031439307 847885022 /nfs/dbraw/zinc/88/50/22/847885022.db2.gz SWAXKFKMPVYWPJ-UHFFFAOYSA-N -1 1 413.326 4.324 20 0 HIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000031669182 847926143 /nfs/dbraw/zinc/92/61/43/847926143.db2.gz AGCGQQOUALRAFD-UHFFFAOYSA-N -1 1 417.531 4.067 20 0 HIADMM CCC[C@H]1SCCN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436550087 861847801 /nfs/dbraw/zinc/84/78/01/861847801.db2.gz WDHVRZNOXIJLQY-GOSISDBHSA-N -1 1 406.454 4.238 20 0 HIADMM COCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436554526 861848597 /nfs/dbraw/zinc/84/85/97/861848597.db2.gz JOFFXHIDZWQESH-UHFFFAOYSA-N -1 1 411.285 4.106 20 0 HIADMM CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4ccccc4c3[O-])n2)o1 ZINC000436554974 861850053 /nfs/dbraw/zinc/85/00/53/861850053.db2.gz HBPXBUINYGYIED-UHFFFAOYSA-N -1 1 407.451 4.150 20 0 HIADMM C#Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000032005457 847978397 /nfs/dbraw/zinc/97/83/97/847978397.db2.gz JNDITEPBRIJBQG-UHFFFAOYSA-N -1 1 404.491 4.338 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)cc1 ZINC000032086495 847985805 /nfs/dbraw/zinc/98/58/05/847985805.db2.gz RJFOHAMVUCVBHP-UHFFFAOYSA-N -1 1 424.522 4.207 20 0 HIADMM CC(C)Cn1nccc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436565408 861853885 /nfs/dbraw/zinc/85/38/85/861853885.db2.gz JKNHPTZVPBNJPS-UHFFFAOYSA-N -1 1 414.412 4.028 20 0 HIADMM C[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436571193 861855795 /nfs/dbraw/zinc/85/57/95/861855795.db2.gz BYJMECSZAJHFDB-LBPRGKRZSA-N -1 1 403.276 4.032 20 0 HIADMM C[C@@H]1C[C@@H]1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000032393673 848018213 /nfs/dbraw/zinc/01/82/13/848018213.db2.gz YDRQJRFECSNSGM-DGCLKSJQSA-N -1 1 413.326 4.180 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000032419160 848022964 /nfs/dbraw/zinc/02/29/64/848022964.db2.gz ZRAQCOHFVNTNKJ-IAGOWNOFSA-N -1 1 402.564 4.337 20 0 HIADMM O=S(=O)([N-]Cc1cccc(COCc2ccccc2)c1)c1cc(F)ccc1F ZINC000032442027 848027649 /nfs/dbraw/zinc/02/76/49/848027649.db2.gz LMGZKFRJAYNKRJ-UHFFFAOYSA-N -1 1 403.450 4.160 20 0 HIADMM COC1(c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)CCCC1 ZINC000436579591 861858699 /nfs/dbraw/zinc/85/86/99/861858699.db2.gz YGZAJKZOCMULNW-UHFFFAOYSA-N -1 1 415.396 4.388 20 0 HIADMM COc1cc(N[C@@H]2CCCN(C(=O)c3cc4ccccc4cc3[O-])C2)cc(OC)c1 ZINC000436580049 861858772 /nfs/dbraw/zinc/85/87/72/861858772.db2.gz ZKOQDXXDEKKYRY-GOSISDBHSA-N -1 1 406.482 4.279 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)c2ccccc12 ZINC000032589423 848049838 /nfs/dbraw/zinc/04/98/38/848049838.db2.gz FGQUVOQRBPVXHE-UHFFFAOYSA-N -1 1 412.511 4.130 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 ZINC000032631259 848057211 /nfs/dbraw/zinc/05/72/11/848057211.db2.gz IKYMEQZLXZGGGL-QFIPXVFZSA-N -1 1 405.479 4.101 20 0 HIADMM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436585488 861860360 /nfs/dbraw/zinc/86/03/60/861860360.db2.gz SGKAHEHHAFHQQN-OAHLLOKOSA-N -1 1 412.511 4.016 20 0 HIADMM Cc1c(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])cnn1C ZINC000436585966 861860633 /nfs/dbraw/zinc/86/06/33/861860633.db2.gz KUMZUNGMRHVKGS-UHFFFAOYSA-N -1 1 419.268 4.246 20 0 HIADMM CC(=O)Nc1ccc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000032690635 848064733 /nfs/dbraw/zinc/06/47/33/848064733.db2.gz GBXZFUPHCZYSFU-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(C)n(C(F)F)n3)n2)cc(Br)c1[O-] ZINC000436602174 861866194 /nfs/dbraw/zinc/86/61/94/861866194.db2.gz DUPRVACDBNPXEE-UHFFFAOYSA-N -1 1 415.194 4.170 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCC[C@H](C)C3)c2)cc1 ZINC000033097995 848108718 /nfs/dbraw/zinc/10/87/18/848108718.db2.gz UCOOTQVAQXPIPK-FXAWDEMLSA-N -1 1 400.544 4.447 20 0 HIADMM CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1F ZINC000436605334 861866830 /nfs/dbraw/zinc/86/68/30/861866830.db2.gz PAPBAXRPRJSYQL-HXUWFJFHSA-N -1 1 422.456 4.327 20 0 HIADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000033098227 848109684 /nfs/dbraw/zinc/10/96/84/848109684.db2.gz DOYYDSFEGMDFTB-HNAYVOBHSA-N -1 1 404.507 4.277 20 0 HIADMM CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000033151961 848115298 /nfs/dbraw/zinc/11/52/98/848115298.db2.gz KQFJRZFXKSCXEK-UHFFFAOYSA-N -1 1 412.939 4.387 20 0 HIADMM CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436607081 861867830 /nfs/dbraw/zinc/86/78/30/861867830.db2.gz RRODHUOZXALRBT-JOCHJYFZSA-N -1 1 420.484 4.338 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)C3)cc2)cc1 ZINC000033181924 848120824 /nfs/dbraw/zinc/12/08/24/848120824.db2.gz WRSJVIMWTAEGAC-VQIMIIECSA-N -1 1 416.543 4.195 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H](C)C3)c2)cc1 ZINC000033181620 848121038 /nfs/dbraw/zinc/12/10/38/848121038.db2.gz SACPQEKEEXAYIO-VQIMIIECSA-N -1 1 416.543 4.195 20 0 HIADMM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(F)cc1F ZINC000436608357 861868226 /nfs/dbraw/zinc/86/82/26/861868226.db2.gz UEHPTZVLUASOLV-LHSJRXKWSA-N -1 1 424.447 4.306 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)Cc3ccco3)cc2)c1 ZINC000033206782 848125595 /nfs/dbraw/zinc/12/55/95/848125595.db2.gz IEKJJNXIISQJSL-KRWDZBQOSA-N -1 1 412.511 4.058 20 0 HIADMM O=C(NCCSc1ccccc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436610720 861869365 /nfs/dbraw/zinc/86/93/65/861869365.db2.gz XWWLORVMAVBKNR-OAQYLSRUSA-N -1 1 420.534 4.059 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Br)o1 ZINC000033758845 848139272 /nfs/dbraw/zinc/13/92/72/848139272.db2.gz YQBOQUVQXYWWNQ-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM Cc1noc(C)c1COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000036631252 848151159 /nfs/dbraw/zinc/15/11/59/848151159.db2.gz WQWXRJMDAUJIAB-UHFFFAOYSA-N -1 1 414.483 4.066 20 0 HIADMM CCCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000036661266 848152862 /nfs/dbraw/zinc/15/28/62/848152862.db2.gz JRNDDPLJFPHFKC-UHFFFAOYSA-N -1 1 404.532 4.196 20 0 HIADMM CCC(=O)c1ccc([O-])c(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c1 ZINC000436646890 861880966 /nfs/dbraw/zinc/88/09/66/861880966.db2.gz ICTVUZQIWDXODM-UHFFFAOYSA-N -1 1 409.511 4.338 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCc3c(C)cc(C)cc32)c1 ZINC000436668931 861888412 /nfs/dbraw/zinc/88/84/12/861888412.db2.gz FTWQYIFSMJULRL-UHFFFAOYSA-N -1 1 405.454 4.151 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000042653931 848339396 /nfs/dbraw/zinc/33/93/96/848339396.db2.gz ZNFUADUUYGCIRS-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)c1 ZINC000436687143 861894418 /nfs/dbraw/zinc/89/44/18/861894418.db2.gz JVAQQYCMBIGDSH-UHFFFAOYSA-N -1 1 413.796 4.046 20 0 HIADMM Cc1nc([C@H](NC(=O)c2ccc(Br)cc2[O-])c2ccc(Cl)cc2)no1 ZINC000436706957 861898681 /nfs/dbraw/zinc/89/86/81/861898681.db2.gz QQWNYVQSXPGGLA-OAHLLOKOSA-N -1 1 422.666 4.019 20 0 HIADMM CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)cc1[O-] ZINC000436711204 861899803 /nfs/dbraw/zinc/89/98/03/861899803.db2.gz FGEVFPGJOVXLGK-UHFFFAOYSA-N -1 1 400.784 4.165 20 0 HIADMM C[C@H](Cc1cccs1)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436715050 861903203 /nfs/dbraw/zinc/90/32/03/861903203.db2.gz HMNCVCBRQNXVSU-GFCCVEGCSA-N -1 1 416.449 4.345 20 0 HIADMM CCCc1sc(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)cc1CC ZINC000043730521 848455160 /nfs/dbraw/zinc/45/51/60/848455160.db2.gz XSWQGPXZDYEORX-UHFFFAOYSA-N -1 1 407.590 4.354 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Br)cc(OC(C)C)c2)c1 ZINC000436720244 861908074 /nfs/dbraw/zinc/90/80/74/861908074.db2.gz DAHUGCXQXNDMKM-UHFFFAOYSA-N -1 1 407.264 4.153 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCCN(c2ccccc2Cl)CC1 ZINC000436731072 861917135 /nfs/dbraw/zinc/91/71/35/861917135.db2.gz NJHOWTZMPXYQFT-UHFFFAOYSA-N -1 1 409.711 4.161 20 0 HIADMM Cn1c(Cc2csc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n2)n[n-]c1=S ZINC000045074792 848630297 /nfs/dbraw/zinc/63/02/97/848630297.db2.gz JFSZCVRMEFOZET-UHFFFAOYSA-N -1 1 414.343 4.013 20 0 HIADMM COC(=O)c1ccc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)s1 ZINC000045082601 848632279 /nfs/dbraw/zinc/63/22/79/848632279.db2.gz WYGZTTXQLZZYLF-UHFFFAOYSA-N -1 1 409.489 4.070 20 0 HIADMM C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000045193359 848645936 /nfs/dbraw/zinc/64/59/36/848645936.db2.gz LEQSROVEIMSKBF-INIZCTEOSA-N -1 1 412.486 4.460 20 0 HIADMM COc1cc(F)ccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000045442258 848680913 /nfs/dbraw/zinc/68/09/13/848680913.db2.gz FMFCJYOIZTYCAH-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436749408 861931018 /nfs/dbraw/zinc/93/10/18/861931018.db2.gz ASZLZYBDWSHJRJ-UHFFFAOYSA-N -1 1 419.302 4.013 20 0 HIADMM O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436753884 861937833 /nfs/dbraw/zinc/93/78/33/861937833.db2.gz FVFCMOUDQFLRAT-SFHVURJKSA-N -1 1 405.454 4.098 20 0 HIADMM O=C(Nc1ccc(C(=O)N(Cc2ccccn2)C2CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436755723 861942355 /nfs/dbraw/zinc/94/23/55/861942355.db2.gz MMQSNPBPEYOCJI-UHFFFAOYSA-N -1 1 423.419 4.123 20 0 HIADMM COc1cc(NC(=O)c2ccc3ccccc3c2[O-])c(C(=O)N2CCCC2)cc1OC ZINC000436756819 861945215 /nfs/dbraw/zinc/94/52/15/861945215.db2.gz QJLXVTGJIWUTGV-UHFFFAOYSA-N -1 1 420.465 4.051 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000436757938 861945482 /nfs/dbraw/zinc/94/54/82/861945482.db2.gz WQOLCBOICNWQBX-LLVKDONJSA-N -1 1 424.810 4.127 20 0 HIADMM CCCCN(C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-])C1CC1 ZINC000436759980 861947415 /nfs/dbraw/zinc/94/74/15/861947415.db2.gz JPVPUZBYCAFKDD-UHFFFAOYSA-N -1 1 412.486 4.066 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3ccsc3)cc2)c1C ZINC000046365996 848833627 /nfs/dbraw/zinc/83/36/27/848833627.db2.gz KMVOLGXUKOTMEF-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000046463946 848855036 /nfs/dbraw/zinc/85/50/36/848855036.db2.gz LIFVMCOMZMVNTI-LLVKDONJSA-N -1 1 401.315 4.323 20 0 HIADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436760795 861951147 /nfs/dbraw/zinc/95/11/47/861951147.db2.gz FNPQYGYUFLLGGZ-GFCCVEGCSA-N -1 1 400.381 4.349 20 0 HIADMM O=C(COc1ccccc1Cl)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588284 848881038 /nfs/dbraw/zinc/88/10/38/848881038.db2.gz OQWOJFZNWJVVCR-UHFFFAOYSA-N -1 1 416.886 4.158 20 0 HIADMM C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc(OC(F)F)c1 ZINC000046607475 848884205 /nfs/dbraw/zinc/88/42/05/848884205.db2.gz JBXDLGXKTATXNV-AWEZNQCLSA-N -1 1 418.440 4.359 20 0 HIADMM O=C(CCOc1ccccc1F)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611661 848885748 /nfs/dbraw/zinc/88/57/48/848885748.db2.gz CLPTXJKXSJCMFV-UHFFFAOYSA-N -1 1 414.458 4.034 20 0 HIADMM Cc1cccc(OCCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000046611733 848885994 /nfs/dbraw/zinc/88/59/94/848885994.db2.gz VPJQJFQHIZXTLT-UHFFFAOYSA-N -1 1 410.495 4.203 20 0 HIADMM O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436764129 861953868 /nfs/dbraw/zinc/95/38/68/861953868.db2.gz PDCARZUZWAIEPT-UHFFFAOYSA-N -1 1 410.367 4.041 20 0 HIADMM COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cc1 ZINC000436764288 861954431 /nfs/dbraw/zinc/95/44/31/861954431.db2.gz PVADDRKWTDQSOI-UHFFFAOYSA-N -1 1 407.388 4.155 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000436764260 861955442 /nfs/dbraw/zinc/95/54/42/861955442.db2.gz PLTAPAPOJLLTFW-UHFFFAOYSA-N -1 1 401.331 4.373 20 0 HIADMM Cc1cc(N(C)C)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000046674895 848905827 /nfs/dbraw/zinc/90/58/27/848905827.db2.gz COUUZIAVQRLVOB-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM Cc1ccc2c(CC(=O)[C@H](C#N)c3nc(=O)c4c5c(sc4[n-]3)CCCC5)coc2c1 ZINC000046707284 848915212 /nfs/dbraw/zinc/91/52/12/848915212.db2.gz NDCQIPBWLZDKPZ-INIZCTEOSA-N -1 1 417.490 4.337 20 0 HIADMM COc1ccc([C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)c2c[nH]c3ccccc32)cc1 ZINC000436766641 861958245 /nfs/dbraw/zinc/95/82/45/861958245.db2.gz SHCJFFDAAFEOJO-OAQYLSRUSA-N -1 1 414.461 4.013 20 0 HIADMM CCOc1cc(-c2noc(COc3cccc(OC)c3)n2)cc(Br)c1[O-] ZINC000436768312 861959898 /nfs/dbraw/zinc/95/98/98/861959898.db2.gz ITOYSVSGUHVTEE-UHFFFAOYSA-N -1 1 421.247 4.191 20 0 HIADMM CCOc1cc(-c2noc([C@H]3COc4ccccc4O3)n2)cc(Br)c1[O-] ZINC000436771433 861963702 /nfs/dbraw/zinc/96/37/02/861963702.db2.gz VMGVCASMEUWIOY-OAHLLOKOSA-N -1 1 419.231 4.116 20 0 HIADMM Cc1noc(C(C)C)c1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119768 848988132 /nfs/dbraw/zinc/98/81/32/848988132.db2.gz YSIWFXOYCCTSPV-UHFFFAOYSA-N -1 1 413.499 4.468 20 0 HIADMM C[C@H](OCc1ccccc1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047120060 848988327 /nfs/dbraw/zinc/98/83/27/848988327.db2.gz HSZPCRIRJXQFPS-KRWDZBQOSA-N -1 1 410.495 4.031 20 0 HIADMM Cc1csc(Sc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)n1 ZINC000047212103 849004674 /nfs/dbraw/zinc/00/46/74/849004674.db2.gz PODLNLJUYDVQQQ-UHFFFAOYSA-N -1 1 419.509 4.250 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cs3)cc2)cc1 ZINC000047212120 849005131 /nfs/dbraw/zinc/00/51/31/849005131.db2.gz LCFZWMSQNRCNQD-UHFFFAOYSA-N -1 1 419.553 4.362 20 0 HIADMM COc1cc(-c2noc(Cc3c(C)nn(C(C)C)c3C)n2)cc(Br)c1[O-] ZINC000436783956 861976477 /nfs/dbraw/zinc/97/64/77/861976477.db2.gz OFYDWRWHECNIES-UHFFFAOYSA-N -1 1 421.295 4.198 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nccn2Cc2ccccc2)c1 ZINC000047708977 849094734 /nfs/dbraw/zinc/09/47/34/849094734.db2.gz PZFDHGNJZNMKMB-UHFFFAOYSA-N -1 1 418.526 4.190 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000436807839 861997285 /nfs/dbraw/zinc/99/72/85/861997285.db2.gz MXIBWAWVYFFOLY-UHFFFAOYSA-N -1 1 408.267 4.115 20 0 HIADMM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436811241 861996103 /nfs/dbraw/zinc/99/61/03/861996103.db2.gz INDIKVBXNBQXCI-UHFFFAOYSA-N -1 1 413.905 4.295 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N(CCO)Cc1cc(Br)cs1 ZINC000436821461 862004797 /nfs/dbraw/zinc/00/47/97/862004797.db2.gz WWLBOEDDVNASOS-UHFFFAOYSA-N -1 1 406.301 4.004 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC(C)(C)C1 ZINC000436831197 862013193 /nfs/dbraw/zinc/01/31/93/862013193.db2.gz DZDUBVBJHMHFDP-CYBMUJFWSA-N -1 1 402.441 4.431 20 0 HIADMM Cc1ccc(C[C@H]2CCCN(C(=O)Cn3c(=S)[n-]nc3-c3cccs3)C2)cc1 ZINC000050768314 849409734 /nfs/dbraw/zinc/40/97/34/849409734.db2.gz XCJNFLVMZQVWTB-QGZVFWFLSA-N -1 1 412.584 4.459 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H](OCc2ccccc2F)C1 ZINC000436835017 862015451 /nfs/dbraw/zinc/01/54/51/862015451.db2.gz SHKKDQDADDBZIH-HNNXBMFYSA-N -1 1 408.267 4.115 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000436839305 862017043 /nfs/dbraw/zinc/01/70/43/862017043.db2.gz TUSWYUOIUMTDED-HNNXBMFYSA-N -1 1 405.376 4.401 20 0 HIADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(Br)cc1[O-] ZINC000051467821 849473368 /nfs/dbraw/zinc/47/33/68/849473368.db2.gz FRSHSRLYBGQHNB-BEFAXECRSA-N -1 1 404.304 4.395 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000052023589 849542667 /nfs/dbraw/zinc/54/26/67/849542667.db2.gz BEPPYRDOPUFDMO-UHFFFAOYSA-N -1 1 415.964 4.163 20 0 HIADMM CC(C)(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000052023595 849542825 /nfs/dbraw/zinc/54/28/25/849542825.db2.gz LGRCVNRIQPZIJS-UHFFFAOYSA-N -1 1 417.552 4.354 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1Cl ZINC000052023588 849542859 /nfs/dbraw/zinc/54/28/59/849542859.db2.gz KBBNTNFQAHBAGA-UHFFFAOYSA-N -1 1 415.964 4.163 20 0 HIADMM CC(C)Oc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(F)c1 ZINC000052266079 849567460 /nfs/dbraw/zinc/56/74/60/849567460.db2.gz ODHYKYKDLWOHMO-UHFFFAOYSA-N -1 1 400.450 4.445 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3ccc(C(C)C)cc3O)n2)n[n-]c1=S ZINC000052314736 849569973 /nfs/dbraw/zinc/56/99/73/849569973.db2.gz GUAUBYPNFBKIRL-UHFFFAOYSA-N -1 1 415.544 4.255 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CC=C(c3ccccc3)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436860758 862040039 /nfs/dbraw/zinc/04/00/39/862040039.db2.gz HPKJVMUCPDRFPB-UHFFFAOYSA-N -1 1 420.415 4.462 20 0 HIADMM COCc1c(C(=O)[N-]NC(=S)Nc2ccc(C)c(C)c2)sc2cccc(F)c21 ZINC000052933961 849645505 /nfs/dbraw/zinc/64/55/05/849645505.db2.gz NSVGHJBJQFVVSC-UHFFFAOYSA-N -1 1 417.531 4.435 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@@H]1c1ccccc1 ZINC000053082240 849663842 /nfs/dbraw/zinc/66/38/42/849663842.db2.gz FBTPLURZAZANNZ-OAQYLSRUSA-N -1 1 410.470 4.214 20 0 HIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000053210275 849679439 /nfs/dbraw/zinc/67/94/39/849679439.db2.gz ARCLMKCBWLYNHI-UHFFFAOYSA-N -1 1 414.450 4.298 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc4n[nH]cc4c3)n2)cc(Br)c1[O-] ZINC000436869465 862045550 /nfs/dbraw/zinc/04/55/50/862045550.db2.gz DJLNEKCEAQACCK-UHFFFAOYSA-N -1 1 415.247 4.071 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc(OC)cc3F)n2)cc(Br)c1[O-] ZINC000436869961 862046646 /nfs/dbraw/zinc/04/66/46/862046646.db2.gz FZJQKWGRSQDEEF-UHFFFAOYSA-N -1 1 423.238 4.342 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(C(C)=O)cc3)n2)cc(Br)c1[O-] ZINC000436870547 862047464 /nfs/dbraw/zinc/04/74/64/862047464.db2.gz NRXSOUGDIUOBRB-UHFFFAOYSA-N -1 1 403.232 4.473 20 0 HIADMM COc1cc(-c2noc([C@H]3CCC(=O)[C@H](C)C3(C)C)n2)cc(Br)c1[O-] ZINC000436877504 862054807 /nfs/dbraw/zinc/05/48/07/862054807.db2.gz GVRRGPYCSFJMJS-GXSJLCMTSA-N -1 1 409.280 4.322 20 0 HIADMM COc1cc(-c2noc(-c3cccnc3OC(C)C)n2)cc(Br)c1[O-] ZINC000436880258 862058604 /nfs/dbraw/zinc/05/86/04/862058604.db2.gz QMEQDOKAWACRGC-UHFFFAOYSA-N -1 1 406.236 4.063 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3ccncc3)c2)c1 ZINC000054085986 849808150 /nfs/dbraw/zinc/80/81/50/849808150.db2.gz FHSBZKNXTWDXIF-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1csc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1I ZINC000436881208 862059798 /nfs/dbraw/zinc/05/97/98/862059798.db2.gz WJTVZIJSCRQSLH-UHFFFAOYSA-N -1 1 402.188 4.223 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cc1 ZINC000436887796 862066721 /nfs/dbraw/zinc/06/67/21/862066721.db2.gz PRRKQPKUGCIBFQ-UHFFFAOYSA-N -1 1 423.494 4.293 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3cccs3)no2)c(O)c1)c1cccs1 ZINC000436892731 862070112 /nfs/dbraw/zinc/07/01/12/862070112.db2.gz MMNIFWBLKIUNQS-UHFFFAOYSA-N -1 1 405.482 4.033 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2cccc3c2CCO3)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436899128 862076455 /nfs/dbraw/zinc/07/64/55/862076455.db2.gz BLXLUJBEVOFASX-UHFFFAOYSA-N -1 1 410.376 4.110 20 0 HIADMM COc1ccc2c(c1)oc(C(=O)[N-]NC(=O)c1cc(C)oc1C)c2-c1ccccc1 ZINC000055110615 849972083 /nfs/dbraw/zinc/97/20/83/849972083.db2.gz WVMZJJZFOPQTFF-UHFFFAOYSA-N -1 1 404.422 4.393 20 0 HIADMM CC1CCN(c2nc([O-])c(CC(=O)Nc3ccc(SC(F)F)cc3)s2)CC1 ZINC000055117608 849973496 /nfs/dbraw/zinc/97/34/96/849973496.db2.gz JOMYGZKXVRXQMC-AWEZNQCLSA-N -1 1 413.515 4.060 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H]2CCC[C@@H](C)C2)cc1 ZINC000055485715 850037661 /nfs/dbraw/zinc/03/76/61/850037661.db2.gz HSGWUTGEZGLUGG-CVEARBPZSA-N -1 1 402.564 4.339 20 0 HIADMM O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)C(=O)c1ccc([O-])cc1 ZINC000436907076 862084343 /nfs/dbraw/zinc/08/43/43/862084343.db2.gz KIDYPGDJWXFXPZ-UHFFFAOYSA-N -1 1 412.804 4.258 20 0 HIADMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000055584199 850064972 /nfs/dbraw/zinc/06/49/72/850064972.db2.gz LLWRZOACFOITSG-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)c2ccccc12 ZINC000055588684 850065942 /nfs/dbraw/zinc/06/59/42/850065942.db2.gz ICLKLLYEQDMGNW-UHFFFAOYSA-N -1 1 418.902 4.004 20 0 HIADMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1F ZINC000055592814 850069676 /nfs/dbraw/zinc/06/96/76/850069676.db2.gz SENSVLZNTKOINP-UHFFFAOYSA-N -1 1 402.447 4.397 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)cc1 ZINC000055615620 850078938 /nfs/dbraw/zinc/07/89/38/850078938.db2.gz WRMDTSRTYPEGFF-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)c1 ZINC000055615625 850079481 /nfs/dbraw/zinc/07/94/81/850079481.db2.gz WOHYBHNGRQZCSH-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1csc(-c2cccs2)n1 ZINC000436911999 862088423 /nfs/dbraw/zinc/08/84/23/862088423.db2.gz BVFUPSSLHXKGDV-UHFFFAOYSA-N -1 1 403.876 4.268 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1Cl ZINC000055619759 850080954 /nfs/dbraw/zinc/08/09/54/850080954.db2.gz ROPWUEJVXHANJW-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM O=S(=O)([N-]c1cccc(COCC(F)(F)C(F)F)c1)c1ccc(F)c(F)c1 ZINC000055632166 850083401 /nfs/dbraw/zinc/08/34/01/850083401.db2.gz INIPWSFETDNZPO-UHFFFAOYSA-N -1 1 413.339 4.183 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000055632850 850083767 /nfs/dbraw/zinc/08/37/67/850083767.db2.gz KKNWJJPKPBUPSK-UHFFFAOYSA-N -1 1 404.532 4.067 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1 ZINC000055651285 850096811 /nfs/dbraw/zinc/09/68/11/850096811.db2.gz PDGNKRDBXAKUDT-UHFFFAOYSA-N -1 1 400.544 4.230 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2sc3ccccc3c2Br)c1 ZINC000436915424 862096323 /nfs/dbraw/zinc/09/63/23/862096323.db2.gz OMMXDDNJUAYBPN-UHFFFAOYSA-N -1 1 406.257 4.408 20 0 HIADMM Cc1oc(-c2cccs2)nc1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916389 862096351 /nfs/dbraw/zinc/09/63/51/862096351.db2.gz WCHYTAFRXGAJOO-UHFFFAOYSA-N -1 1 415.862 4.037 20 0 HIADMM Cc1oc(-c2cccs2)nc1CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916389 862096359 /nfs/dbraw/zinc/09/63/59/862096359.db2.gz WCHYTAFRXGAJOO-UHFFFAOYSA-N -1 1 415.862 4.037 20 0 HIADMM COc1ccccc1[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)N1CCCCC1 ZINC000436924962 862106157 /nfs/dbraw/zinc/10/61/57/862106157.db2.gz YIIAUNDHCXGCHM-SFHVURJKSA-N -1 1 406.885 4.150 20 0 HIADMM CS[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000056061910 850235960 /nfs/dbraw/zinc/23/59/60/850235960.db2.gz NAVGMNJACWMCBM-LLVKDONJSA-N -1 1 418.462 4.196 20 0 HIADMM CCCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@@H](C)c1cc2ccccc2o1 ZINC000056192900 850277140 /nfs/dbraw/zinc/27/71/40/850277140.db2.gz KUNMYNABOAFCMP-HNNXBMFYSA-N -1 1 413.543 4.479 20 0 HIADMM COc1ccc(-c2nc(-c3ccc(Br)cc3OC(F)F)no2)c([O-])c1 ZINC000436948492 862125625 /nfs/dbraw/zinc/12/56/25/862125625.db2.gz HJKCJYDRDXTOGW-UHFFFAOYSA-N -1 1 413.174 4.482 20 0 HIADMM O=C(N[C@H]1CCOc2c(Cl)cccc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000056805246 850490264 /nfs/dbraw/zinc/49/02/64/850490264.db2.gz POQJLQDBOAANRI-IBGZPJMESA-N -1 1 414.889 4.174 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(-c4ccoc4C)no3)c([O-])c2)c1 ZINC000436956277 862136839 /nfs/dbraw/zinc/13/68/39/862136839.db2.gz LVQDOGARGMVTMU-UHFFFAOYSA-N -1 1 421.409 4.280 20 0 HIADMM COCc1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000056931608 850518870 /nfs/dbraw/zinc/51/88/70/850518870.db2.gz RQHPCDSIFIPVKC-UHFFFAOYSA-N -1 1 414.458 4.025 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1)c1ccc(F)cc1 ZINC000057115833 850550090 /nfs/dbraw/zinc/55/00/90/850550090.db2.gz YHPLSYBSBHYJPE-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000057119174 850550188 /nfs/dbraw/zinc/55/01/88/850550188.db2.gz CMAGVPSSGWHPLO-UHFFFAOYSA-N -1 1 405.278 4.072 20 0 HIADMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC)c3ccccc32)c1 ZINC000057118499 850550902 /nfs/dbraw/zinc/55/09/02/850550902.db2.gz HZPPZOJPFUSIDL-UHFFFAOYSA-N -1 1 412.511 4.097 20 0 HIADMM Cc1cc(Sc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000057125586 850555546 /nfs/dbraw/zinc/55/55/46/850555546.db2.gz LLBLDDFNOYTZCY-UHFFFAOYSA-N -1 1 412.492 4.382 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000057281908 850599662 /nfs/dbraw/zinc/59/96/62/850599662.db2.gz ASTRZBTUCBENSI-CQSZACIVSA-N -1 1 411.487 4.092 20 0 HIADMM CCCN1C(=O)CCc2cc(NC(=O)c3cc(Cl)c([O-])c(OCC)c3)ccc21 ZINC000436965721 862146598 /nfs/dbraw/zinc/14/65/98/862146598.db2.gz KATSGVLAIOSFIW-UHFFFAOYSA-N -1 1 402.878 4.386 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000057388159 850626213 /nfs/dbraw/zinc/62/62/13/850626213.db2.gz UGFAXTZFKXYZJY-YWZLYKJASA-N -1 1 404.507 4.243 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000057541171 850662116 /nfs/dbraw/zinc/66/21/16/850662116.db2.gz MGZRFVOJLLMGCT-UHFFFAOYSA-N -1 1 423.513 4.422 20 0 HIADMM CCCCOc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c([O-])c1 ZINC000436974103 862154124 /nfs/dbraw/zinc/15/41/24/862154124.db2.gz WVCWCDRIHIUVSP-MRXNPFEDSA-N -1 1 422.485 4.220 20 0 HIADMM Cc1ccc([C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436978175 862156472 /nfs/dbraw/zinc/15/64/72/862156472.db2.gz GPNMVRKMXAEPCU-JPYJTQIMSA-N -1 1 416.521 4.378 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CCCc3c(O)cccc32)cc1[O-] ZINC000436981626 862159724 /nfs/dbraw/zinc/15/97/24/862159724.db2.gz RGWIHHQJRFAOAJ-LJQANCHMSA-N -1 1 408.498 4.219 20 0 HIADMM CCOc1cc(-c2noc(/C=C\c3cncc(OC)c3)n2)cc(Br)c1[O-] ZINC000436984721 862161380 /nfs/dbraw/zinc/16/13/80/862161380.db2.gz ZOYLOVGYAYPBNM-PLNGDYQASA-N -1 1 418.247 4.177 20 0 HIADMM O=C(Nc1ccnn1C1CCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000057989659 850751008 /nfs/dbraw/zinc/75/10/08/850751008.db2.gz NWEHOYFBCNILTJ-UHFFFAOYSA-N -1 1 410.499 4.051 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058149802 850772739 /nfs/dbraw/zinc/77/27/39/850772739.db2.gz HYIKPVDCQHKWCI-UHFFFAOYSA-N -1 1 420.534 4.466 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(-c2cnco2)cc1 ZINC000058144183 850772781 /nfs/dbraw/zinc/77/27/81/850772781.db2.gz JXRQADDEKMQQGH-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM CCC(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000058144066 850773093 /nfs/dbraw/zinc/77/30/93/850773093.db2.gz ZHWOXHMAJAGSCW-UHFFFAOYSA-N -1 1 423.494 4.088 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(F)(F)c1ccccc1 ZINC000058143953 850773191 /nfs/dbraw/zinc/77/31/91/850773191.db2.gz ZWNHGGNGNLQRIA-UHFFFAOYSA-N -1 1 402.422 4.218 20 0 HIADMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058206182 850780652 /nfs/dbraw/zinc/78/06/52/850780652.db2.gz RXOCQMJVHDSJTO-UHFFFAOYSA-N -1 1 403.533 4.369 20 0 HIADMM Cc1ccc(NC(=O)COC2CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058225388 850783479 /nfs/dbraw/zinc/78/34/79/850783479.db2.gz YRDJUBFYTKVPPE-UHFFFAOYSA-N -1 1 402.516 4.084 20 0 HIADMM COCc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000058290242 850793623 /nfs/dbraw/zinc/79/36/23/850793623.db2.gz NUJNYACXOOCKAA-UHFFFAOYSA-N -1 1 414.458 4.025 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CCc1ccccn1)Cc1cccnc1 ZINC000436994779 862169136 /nfs/dbraw/zinc/16/91/36/862169136.db2.gz FUEVEJDKRLJNOY-UHFFFAOYSA-N -1 1 401.388 4.086 20 0 HIADMM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@@H](C)c1ccccc1 ZINC000436997864 862173027 /nfs/dbraw/zinc/17/30/27/862173027.db2.gz GJLUAXZHCVQQFJ-IEGUWTFLSA-N -1 1 416.521 4.458 20 0 HIADMM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000436998599 862173037 /nfs/dbraw/zinc/17/30/37/862173037.db2.gz KXTSHZPZOBYPKY-ZDUSSCGKSA-N -1 1 406.889 4.370 20 0 HIADMM CCOC(=O)N=c1[nH]c2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2s1 ZINC000058495576 850839548 /nfs/dbraw/zinc/83/95/48/850839548.db2.gz IFAZHBYEYZLCAL-UHFFFAOYSA-N -1 1 409.464 4.113 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NNc2cccc(C(F)(F)F)c2)cc1 ZINC000058573514 850860458 /nfs/dbraw/zinc/86/04/58/850860458.db2.gz GVAIVSBAKWGMBQ-UHFFFAOYSA-N -1 1 421.448 4.468 20 0 HIADMM Cc1cccc(COC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000058856858 850945756 /nfs/dbraw/zinc/94/57/56/850945756.db2.gz PWWIVPQVZZPQIX-UHFFFAOYSA-N -1 1 413.470 4.221 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000060093479 851039889 /nfs/dbraw/zinc/03/98/89/851039889.db2.gz CCIAZBXLKQOHFJ-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM Cc1cc(C)c(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)c1 ZINC000060401501 851088369 /nfs/dbraw/zinc/08/83/69/851088369.db2.gz GXPYUGIJSJGLQK-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000060480038 851113796 /nfs/dbraw/zinc/11/37/96/851113796.db2.gz QIIXBFBNPOATDR-UHFFFAOYSA-N -1 1 421.570 4.005 20 0 HIADMM Cc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccc(Cl)o3)s2)c(C)c1 ZINC000060538128 851138935 /nfs/dbraw/zinc/13/89/35/851138935.db2.gz YOJMANKCMPNEES-UHFFFAOYSA-N -1 1 422.919 4.384 20 0 HIADMM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(F)c(Cl)c1 ZINC000060594331 851160616 /nfs/dbraw/zinc/16/06/16/851160616.db2.gz YKKQSVGQIYBNRL-SNVBAGLBSA-N -1 1 403.859 4.067 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1CCCCC1 ZINC000060659378 851181913 /nfs/dbraw/zinc/18/19/13/851181913.db2.gz KBNCRBLISGQHRV-UHFFFAOYSA-N -1 1 408.470 4.170 20 0 HIADMM O=C(Nc1ccc2ncccc2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000060788104 851213383 /nfs/dbraw/zinc/21/33/83/851213383.db2.gz AFKCAQMRTMHNOH-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Oc4cccc(Cl)c4)cc3)cc2[nH]1 ZINC000060839076 851226987 /nfs/dbraw/zinc/22/69/87/851226987.db2.gz VKUYHIGPEPAUDL-UHFFFAOYSA-N -1 1 415.858 4.103 20 0 HIADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(Cl)c3)cc2)cc1 ZINC000060839079 851227184 /nfs/dbraw/zinc/22/71/84/851227184.db2.gz ZXFYWVPAJIUJLO-UHFFFAOYSA-N -1 1 416.886 4.293 20 0 HIADMM CCC(CC)[C@@H](CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)OC ZINC000437032542 862219747 /nfs/dbraw/zinc/21/97/47/862219747.db2.gz DCAJTLWJNGGLBE-OAQYLSRUSA-N -1 1 418.559 4.059 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000062295168 851526106 /nfs/dbraw/zinc/52/61/06/851526106.db2.gz CZMKXNHGHCWQND-OAHLLOKOSA-N -1 1 417.527 4.174 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)cc1 ZINC000063174849 851627124 /nfs/dbraw/zinc/62/71/24/851627124.db2.gz NPNBZAVSGMMFSH-UHFFFAOYSA-N -1 1 424.950 4.412 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC)c2)cc1 ZINC000063178371 851628686 /nfs/dbraw/zinc/62/86/86/851628686.db2.gz UKNXPQZURRQNHG-UHFFFAOYSA-N -1 1 410.923 4.069 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)cc1Cl ZINC000063181387 851629572 /nfs/dbraw/zinc/62/95/72/851629572.db2.gz JZHWQBXCEGVBJZ-UHFFFAOYSA-N -1 1 412.895 4.354 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)CC3)cc2)cc1C ZINC000063273893 851647344 /nfs/dbraw/zinc/64/73/44/851647344.db2.gz VKSYYVHGVCKFSF-INIZCTEOSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)CC3)cc2)c1 ZINC000063273924 851647840 /nfs/dbraw/zinc/64/78/40/851647840.db2.gz DVVKVRKQDXLVKE-INIZCTEOSA-N -1 1 400.544 4.366 20 0 HIADMM CC[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CCS1 ZINC000437076731 862272115 /nfs/dbraw/zinc/27/21/15/862272115.db2.gz MCNVILZIMMHHNV-IBGZPJMESA-N -1 1 418.584 4.072 20 0 HIADMM O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1c([O-])cc(F)cc1F ZINC000063543368 851710508 /nfs/dbraw/zinc/71/05/08/851710508.db2.gz DPKATSSOPDRXQI-LJQANCHMSA-N -1 1 401.340 4.346 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c4c[nH]nc43)c2)c1 ZINC000063715061 851746329 /nfs/dbraw/zinc/74/63/29/851746329.db2.gz DDCZAFIYPLXZDT-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2)no1 ZINC000063849543 851777548 /nfs/dbraw/zinc/77/75/48/851777548.db2.gz BREATEDOKCSTEE-UHFFFAOYSA-N -1 1 401.341 4.004 20 0 HIADMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063911767 851791777 /nfs/dbraw/zinc/79/17/77/851791777.db2.gz VVKPJDAVKUXMNT-UHFFFAOYSA-N -1 1 418.412 4.174 20 0 HIADMM CC(C)Cc1csc2nc(-c3ccccc3I)[n-]c(=O)c12 ZINC000063919754 851794822 /nfs/dbraw/zinc/79/48/22/851794822.db2.gz RKGJUPNAWCXGJQ-UHFFFAOYSA-N -1 1 410.280 4.455 20 0 HIADMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064906094 852017847 /nfs/dbraw/zinc/01/78/47/852017847.db2.gz RMQSHBJGNBTCOJ-UHFFFAOYSA-N -1 1 406.326 4.157 20 0 HIADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064937965 852026235 /nfs/dbraw/zinc/02/62/35/852026235.db2.gz HOGQQPAYPMCCGL-UHFFFAOYSA-N -1 1 406.407 4.278 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)ccc1Br ZINC000064938347 852027731 /nfs/dbraw/zinc/02/77/31/852027731.db2.gz HBPKSVXLGKJARU-UHFFFAOYSA-N -1 1 410.333 4.485 20 0 HIADMM O=C1CCCCN1Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000065079585 852057655 /nfs/dbraw/zinc/05/76/55/852057655.db2.gz UHZHRIKVCUWWTK-UHFFFAOYSA-N -1 1 413.326 4.307 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(Cc3ccccn3)C(C)C)c2)c1 ZINC000065159235 852080081 /nfs/dbraw/zinc/08/00/81/852080081.db2.gz GARGBDOENQRMPG-UHFFFAOYSA-N -1 1 423.538 4.242 20 0 HIADMM COc1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000065160102 852080792 /nfs/dbraw/zinc/08/07/92/852080792.db2.gz UZDNOVWVWIRLGC-UHFFFAOYSA-N -1 1 424.522 4.389 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc(F)cc1 ZINC000065160473 852081067 /nfs/dbraw/zinc/08/10/67/852081067.db2.gz DRRRNVMGTAGYLT-UHFFFAOYSA-N -1 1 402.422 4.042 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCC2)cc1C ZINC000065223379 852089365 /nfs/dbraw/zinc/08/93/65/852089365.db2.gz UZTOKJDWNURBLW-UHFFFAOYSA-N -1 1 406.935 4.430 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2ccc(C)cc2C)cc1 ZINC000065620863 852201691 /nfs/dbraw/zinc/20/16/91/852201691.db2.gz ZOHIXDWKLJVUQP-UHFFFAOYSA-N -1 1 424.570 4.372 20 0 HIADMM C[C@@H](Cc1cccs1)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000065636980 852206199 /nfs/dbraw/zinc/20/61/99/852206199.db2.gz HMNCVCBRQNXVSU-LBPRGKRZSA-N -1 1 416.449 4.345 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000065834069 852275556 /nfs/dbraw/zinc/27/55/56/852275556.db2.gz IHQNEIZPPZCTPL-UHFFFAOYSA-N -1 1 410.495 4.280 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000065836253 852276501 /nfs/dbraw/zinc/27/65/01/852276501.db2.gz SHURDCLLWOIMHK-UHFFFAOYSA-N -1 1 408.570 4.179 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000065836626 852276527 /nfs/dbraw/zinc/27/65/27/852276527.db2.gz OKHNGKHEDYCNNU-UHFFFAOYSA-N -1 1 401.513 4.132 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 ZINC000065868650 852292996 /nfs/dbraw/zinc/29/29/96/852292996.db2.gz LIPPSFXOEWISSM-UHFFFAOYSA-N -1 1 411.483 4.196 20 0 HIADMM C#CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)C1CCCCC1 ZINC000065912238 852314004 /nfs/dbraw/zinc/31/40/04/852314004.db2.gz GYMJHHDLRRHUAE-UHFFFAOYSA-N -1 1 410.539 4.204 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)c3ccncc3)cc2)c1 ZINC000071939450 852438224 /nfs/dbraw/zinc/43/82/24/852438224.db2.gz JAPBTJKBKFRSKI-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000072058328 852490223 /nfs/dbraw/zinc/49/02/23/852490223.db2.gz FBJUQKBNMVISQS-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1Br ZINC000096487752 852548494 /nfs/dbraw/zinc/54/84/94/852548494.db2.gz HMOBPSBEFQDKBC-UHFFFAOYSA-N -1 1 421.110 4.021 20 0 HIADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000097552599 852630178 /nfs/dbraw/zinc/63/01/78/852630178.db2.gz KZKPQGJQPQUZSS-UHFFFAOYSA-N -1 1 410.568 4.325 20 0 HIADMM CCCCN(C)c1ccc(C(=O)N2CCC(c3n[n-]c(=S)n3CC)CC2)cc1 ZINC000097555290 852631440 /nfs/dbraw/zinc/63/14/40/852631440.db2.gz IFWYSECZOXEJMH-UHFFFAOYSA-N -1 1 401.580 4.217 20 0 HIADMM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H](c2n[n-]c(=S)n2C)C1 ZINC000097570058 852632204 /nfs/dbraw/zinc/63/22/04/852632204.db2.gz RBDGCGUTFJSAIE-WCQYABFASA-N -1 1 413.374 4.369 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC(OCc3ccccc3)CC2)cc1 ZINC000105359254 852701330 /nfs/dbraw/zinc/70/13/30/852701330.db2.gz FVOLYBCORQYTNP-UHFFFAOYSA-N -1 1 422.554 4.124 20 0 HIADMM CC(=O)Nc1cc(NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)ccc1F ZINC000105665721 852721192 /nfs/dbraw/zinc/72/11/92/852721192.db2.gz KJWROKRIUMJBPX-UHFFFAOYSA-N -1 1 413.478 4.042 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1C ZINC000105846333 852732436 /nfs/dbraw/zinc/73/24/36/852732436.db2.gz OWOAJUXYKPDOEH-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCc3cccc(F)c3)c2)c1 ZINC000105845763 852732610 /nfs/dbraw/zinc/73/26/10/852732610.db2.gz WTOKRGUNWJONOM-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000108827770 852883067 /nfs/dbraw/zinc/88/30/67/852883067.db2.gz OMOLZSYOZCDDEP-UHFFFAOYSA-N -1 1 423.542 4.245 20 0 HIADMM O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(Br)cc1[O-] ZINC000109364200 852959093 /nfs/dbraw/zinc/95/90/93/852959093.db2.gz FVOBNKLYJMAYPM-UHFFFAOYSA-N -1 1 413.271 4.059 20 0 HIADMM CN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110013316 853046850 /nfs/dbraw/zinc/04/68/50/853046850.db2.gz UTCKTETZXFKHHP-NRFANRHFSA-N -1 1 424.447 4.087 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccncc2)c1 ZINC000110365369 853091438 /nfs/dbraw/zinc/09/14/38/853091438.db2.gz UFMWVUCUVOMWIR-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2c(F)cccc2N2CCCC2)c1 ZINC000110685875 853138788 /nfs/dbraw/zinc/13/87/88/853138788.db2.gz JMGURIBUZBSHGR-UHFFFAOYSA-N -1 1 411.506 4.294 20 0 HIADMM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000110701639 853140576 /nfs/dbraw/zinc/14/05/76/853140576.db2.gz MGAOFIIPOMVGMA-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CCN1CCc2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc21 ZINC000110811801 853154091 /nfs/dbraw/zinc/15/40/91/853154091.db2.gz WXHBEKQOVAMLIN-UHFFFAOYSA-N -1 1 421.522 4.122 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc(C)s2)cc1 ZINC000115725384 853262001 /nfs/dbraw/zinc/26/20/01/853262001.db2.gz JCFNOFNIUDHVEF-CYBMUJFWSA-N -1 1 402.545 4.254 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C(C)C)[nH]n3)cc2)cc1C ZINC000115875842 853269422 /nfs/dbraw/zinc/26/94/22/853269422.db2.gz CAEWWVQPNZIUPB-UHFFFAOYSA-N -1 1 412.515 4.203 20 0 HIADMM COc1ccc(NC(=O)[C@H](OC(=O)c2c([O-])cc(F)cc2F)c2ccccc2)cc1 ZINC000116109669 853283303 /nfs/dbraw/zinc/28/33/03/853283303.db2.gz YGIRCNMKXCMKFF-HXUWFJFHSA-N -1 1 413.376 4.216 20 0 HIADMM Cn1c(Cc2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)n[n-]c1=S ZINC000116802779 853333819 /nfs/dbraw/zinc/33/38/19/853333819.db2.gz NRSNNVAXKAIXFX-UHFFFAOYSA-N -1 1 400.316 4.084 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c(=O)[n-]1 ZINC000116972892 853339512 /nfs/dbraw/zinc/33/95/12/853339512.db2.gz UEGYUMFKISLIID-UHFFFAOYSA-N -1 1 420.947 4.148 20 0 HIADMM Cc1csc(Sc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)n1 ZINC000117334615 853354208 /nfs/dbraw/zinc/35/42/08/853354208.db2.gz UIHPYRNDWDVZGI-UHFFFAOYSA-N -1 1 420.537 4.175 20 0 HIADMM CC(C)c1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000140021862 853430626 /nfs/dbraw/zinc/43/06/26/853430626.db2.gz UNYMZHILUIZIHX-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000143211739 853509945 /nfs/dbraw/zinc/50/99/45/853509945.db2.gz HRLHTELPKMFBJJ-MOPGFXCFSA-N -1 1 408.527 4.069 20 0 HIADMM Cc1ccc(-c2cc(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)n[nH]2)o1 ZINC000195583024 853695869 /nfs/dbraw/zinc/69/58/69/853695869.db2.gz AYWVBLMOMMWZIV-UHFFFAOYSA-N -1 1 422.466 4.031 20 0 HIADMM Cc1nc(-c2ccccc2)sc1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000195608447 853710634 /nfs/dbraw/zinc/71/06/34/853710634.db2.gz ADKWHBPJCWXFDR-LBPRGKRZSA-N -1 1 421.475 4.205 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000195700267 853766498 /nfs/dbraw/zinc/76/64/98/853766498.db2.gz OPHMIFOMADAOKX-ZIAGYGMSSA-N -1 1 414.449 4.120 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000195700165 853766691 /nfs/dbraw/zinc/76/66/91/853766691.db2.gz XNVVXFGJINXBMZ-OKILXGFUSA-N -1 1 414.449 4.120 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4c3cccc4C)c2)cc1 ZINC000195735268 853785772 /nfs/dbraw/zinc/78/57/72/853785772.db2.gz CWCIVJUVPADDHX-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4c3cccc4C)c2)cc1 ZINC000195735273 853785934 /nfs/dbraw/zinc/78/59/34/853785934.db2.gz WJOXFRACJIYHNA-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM CC(C)N(Cc1cccs1)C(=O)c1ccc(I)c([O-])c1 ZINC000230890437 853895984 /nfs/dbraw/zinc/89/59/84/853895984.db2.gz FEGVPSBIRQIEHK-UHFFFAOYSA-N -1 1 401.269 4.109 20 0 HIADMM C[C@](CC(=O)[O-])(C(=O)NNC(=O)c1sc2ccccc2c1Cl)C1CCCCC1 ZINC000237613345 854062798 /nfs/dbraw/zinc/06/27/98/854062798.db2.gz AFFYJBKBHMHFPT-HXUWFJFHSA-N -1 1 422.934 4.377 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)Cc3ccccc3-4)cc2C[C@@H]1C ZINC000247937971 854167315 /nfs/dbraw/zinc/16/73/15/854167315.db2.gz MDWKFQXDPIVBID-HNNXBMFYSA-N -1 1 418.518 4.356 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000248070594 854176662 /nfs/dbraw/zinc/17/66/62/854176662.db2.gz GUNLVDKUMJESJC-NRFANRHFSA-N -1 1 415.522 4.217 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cnc(-c3ccccc3)nc2)c1 ZINC000248075685 854177611 /nfs/dbraw/zinc/17/76/11/854177611.db2.gz ICGOZHKTUXYUHB-UHFFFAOYSA-N -1 1 416.510 4.402 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC000253382196 854205855 /nfs/dbraw/zinc/20/58/55/854205855.db2.gz HFWSREJBPGMKND-IAGOWNOFSA-N -1 1 416.543 4.289 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@H](C)C3)c2)cc1 ZINC000261398810 854248383 /nfs/dbraw/zinc/24/83/83/854248383.db2.gz VAALBEIAENYBDI-AWEZNQCLSA-N -1 1 422.934 4.022 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccc(C(=O)OC(C)(C)C)cc3)nc2)[n-]c(=O)c1C ZINC000301468923 854402428 /nfs/dbraw/zinc/40/24/28/854402428.db2.gz NPZMCDXWCDSPNY-UHFFFAOYSA-N -1 1 406.486 4.428 20 0 HIADMM Cc1nc(-c2ccc(N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000301773397 854462796 /nfs/dbraw/zinc/46/27/96/854462796.db2.gz KEKYWTFNYMXANW-PMACEKPBSA-N -1 1 408.477 4.093 20 0 HIADMM Cc1nnc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1[C@H]1CCC[C@@H](C)C1 ZINC000301820693 854471074 /nfs/dbraw/zinc/47/10/74/854471074.db2.gz BDMUNEMIUHPRLM-CJNGLKHVSA-N -1 1 421.530 4.323 20 0 HIADMM Cc1cnc([C@H](C)CNc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)s1 ZINC000302144261 854536380 /nfs/dbraw/zinc/53/63/80/854536380.db2.gz QJWZLZHZSURVEY-LLVKDONJSA-N -1 1 424.498 4.141 20 0 HIADMM Cc1ccc(-n2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c(-c3ccccc3)n2)cc1 ZINC000302220121 854552823 /nfs/dbraw/zinc/55/28/23/854552823.db2.gz FEMQDAPHLQGUGL-UHFFFAOYSA-N -1 1 412.375 4.237 20 0 HIADMM COc1cc(Br)ccc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302498714 854577071 /nfs/dbraw/zinc/57/70/71/854577071.db2.gz KTAWVZDFCQUCFH-UHFFFAOYSA-N -1 1 415.291 4.244 20 0 HIADMM CCN(Cc1ccc2c(c1)OCO2)C(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000302632911 854594441 /nfs/dbraw/zinc/59/44/41/854594441.db2.gz DUCZPOJYDPKJPQ-UHFFFAOYSA-N -1 1 424.526 4.084 20 0 HIADMM O=S(=O)([N-]c1ccc(Cn2cnc3ccccc32)cc1)c1cc(F)c(F)c(F)c1 ZINC000437323644 862590647 /nfs/dbraw/zinc/59/06/47/862590647.db2.gz HFPAMMWLSBFQJT-UHFFFAOYSA-N -1 1 417.412 4.303 20 0 HIADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000302914491 854677494 /nfs/dbraw/zinc/67/74/94/854677494.db2.gz JAWGFTKEHRYROQ-UHFFFAOYSA-N -1 1 416.886 4.293 20 0 HIADMM O=C(Cn1c(-c2cccs2)n[n-]c1=S)Nc1cc(C(F)(F)F)ccc1O ZINC000302937624 854687430 /nfs/dbraw/zinc/68/74/30/854687430.db2.gz ITPVCGCSBOIDQF-UHFFFAOYSA-N -1 1 400.407 4.032 20 0 HIADMM Cc1ccc(Sc2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2)cc1C ZINC000302948675 854692819 /nfs/dbraw/zinc/69/28/19/854692819.db2.gz JOHRSMAPDJICLB-UHFFFAOYSA-N -1 1 412.536 4.354 20 0 HIADMM CCOc1cccc([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000303020637 854726254 /nfs/dbraw/zinc/72/62/54/854726254.db2.gz UHCGEZGOZLMLBI-QGZVFWFLSA-N -1 1 424.522 4.377 20 0 HIADMM CC(C)(CNC(=O)Cn1c(-c2ccc(Cl)cc2)n[n-]c1=S)c1ccccc1F ZINC000303087986 854755387 /nfs/dbraw/zinc/75/53/87/854755387.db2.gz HGRVDFALAMVPGY-UHFFFAOYSA-N -1 1 418.925 4.494 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000303093340 854756945 /nfs/dbraw/zinc/75/69/45/854756945.db2.gz DVUOHEXRAPTTFK-GFCCVEGCSA-N -1 1 420.821 4.279 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](c2nccs2)c2ccccc2)cc1 ZINC000303238291 854831066 /nfs/dbraw/zinc/83/10/66/854831066.db2.gz ZVTPSRYRCVQOGI-GOSISDBHSA-N -1 1 421.551 4.278 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC2(Sc3ccccc3)CCCC2)c(=O)[n-]1 ZINC000303321748 854871088 /nfs/dbraw/zinc/87/10/88/854871088.db2.gz AEEAECQYFUAGTN-UHFFFAOYSA-N -1 1 417.600 4.366 20 0 HIADMM CCc1nc([C@@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cs1 ZINC000303455793 854955547 /nfs/dbraw/zinc/95/55/47/854955547.db2.gz JXPSPYKAUGSELW-CYBMUJFWSA-N -1 1 401.561 4.203 20 0 HIADMM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cs1 ZINC000437345737 862625070 /nfs/dbraw/zinc/62/50/70/862625070.db2.gz WHZIOTPWJCSPGF-MRVPVSSYSA-N -1 1 414.858 4.001 20 0 HIADMM CC[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000303479134 854973899 /nfs/dbraw/zinc/97/38/99/854973899.db2.gz PNDALWWWEBJJPT-ZDUSSCGKSA-N -1 1 412.914 4.398 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccn3)c2)cc1 ZINC000303537763 855023845 /nfs/dbraw/zinc/02/38/45/855023845.db2.gz IWMKRZWKFJNZSE-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CSCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000303779428 855194047 /nfs/dbraw/zinc/19/40/47/855194047.db2.gz ODHHBMVSMJDQSU-MRXNPFEDSA-N -1 1 420.600 4.318 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CCC(C)(C)CC3)c2)cc1 ZINC000303918858 855289762 /nfs/dbraw/zinc/28/97/62/855289762.db2.gz NUZOUKYESYJUQR-UHFFFAOYSA-N -1 1 416.543 4.195 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2nccc2C(F)(F)F)cc1)c1cc(F)c(F)c(F)c1 ZINC000303918084 855289859 /nfs/dbraw/zinc/28/98/59/855289859.db2.gz NRAQKKNSOBRUOS-UHFFFAOYSA-N -1 1 421.322 4.109 20 0 HIADMM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1ccc(F)cc1Br ZINC000325134597 855401570 /nfs/dbraw/zinc/40/15/70/855401570.db2.gz PUJVRPNMTJSAPO-UHFFFAOYSA-N -1 1 417.275 4.128 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000326157998 855407699 /nfs/dbraw/zinc/40/76/99/855407699.db2.gz ZSDPEGCJECFPSJ-UHFFFAOYSA-N -1 1 415.284 4.046 20 0 HIADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2C(C)C)c1Br ZINC000326737619 855412022 /nfs/dbraw/zinc/41/20/22/855412022.db2.gz UGLPJCUUKVHPSJ-UHFFFAOYSA-N -1 1 412.305 4.380 20 0 HIADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000327226689 855416234 /nfs/dbraw/zinc/41/62/34/855416234.db2.gz AGTSRQUVVGOXHZ-IIMNLJJBSA-N -1 1 405.709 4.303 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccsc32)ccc1Br ZINC000386642202 855444069 /nfs/dbraw/zinc/44/40/69/855444069.db2.gz OOOMSRMEARGYDO-UHFFFAOYSA-N -1 1 412.286 4.163 20 0 HIADMM CC[C@@H](c1nnc([N-]C(=O)c2c(F)ccc(OC)c2OC)s1)c1ccccc1 ZINC000409534593 855528452 /nfs/dbraw/zinc/52/84/52/855528452.db2.gz HPAQKMUHDUWIMF-CYBMUJFWSA-N -1 1 401.463 4.489 20 0 HIADMM CCCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000410002729 855773169 /nfs/dbraw/zinc/77/31/69/855773169.db2.gz JXDDVFYRGQLZOA-UHFFFAOYSA-N -1 1 401.315 4.276 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ncccc3Br)c2)n1 ZINC000410326084 855930149 /nfs/dbraw/zinc/93/01/49/855930149.db2.gz MHMKUQIOHUHQAA-UHFFFAOYSA-N -1 1 410.318 4.077 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(Br)cc1Cl)c1cc(F)ccc1F ZINC000410398160 855973058 /nfs/dbraw/zinc/97/30/58/855973058.db2.gz OIVYHLNKPSZYIN-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410419745 855987975 /nfs/dbraw/zinc/98/79/75/855987975.db2.gz NBFWEMCRYKKEHO-UHFFFAOYSA-N -1 1 412.241 4.098 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)c2ccccc12 ZINC000410419628 855988094 /nfs/dbraw/zinc/98/80/94/855988094.db2.gz PZCDWDJAMVKULS-UHFFFAOYSA-N -1 1 407.495 4.358 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1C ZINC000425968055 856022218 /nfs/dbraw/zinc/02/22/18/856022218.db2.gz QMDPUKWAMLXVET-UHFFFAOYSA-N -1 1 418.559 4.203 20 0 HIADMM Cc1ccc(NC(=O)c2ncccc2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000426014692 856048253 /nfs/dbraw/zinc/04/82/53/856048253.db2.gz FFHUDZINXWDRIW-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM O=C1c2ccccc2N[C@@H](c2cc(F)c([O-])c(F)c2)N1Cc1ccc2c(c1)OCO2 ZINC000426082753 856095012 /nfs/dbraw/zinc/09/50/12/856095012.db2.gz AVEZYNAOGJKCHF-OAQYLSRUSA-N -1 1 410.376 4.166 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000426150055 856141473 /nfs/dbraw/zinc/14/14/73/856141473.db2.gz SNULOKUPSQUNDQ-IYBDPMFKSA-N -1 1 422.451 4.065 20 0 HIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ncoc1-c1ccc(F)cc1 ZINC000426274704 856214332 /nfs/dbraw/zinc/21/43/32/856214332.db2.gz CZQFLGXJXZQESJ-UHFFFAOYSA-N -1 1 414.849 4.829 20 0 HIADMM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000426679832 856409665 /nfs/dbraw/zinc/40/96/65/856409665.db2.gz JKWFXIPACBVXNB-GOSISDBHSA-N -1 1 400.272 4.495 20 0 HIADMM O=C([O-])c1cccc(CCNCc2csc(COc3ccc(Cl)cc3)n2)c1 ZINC000426695909 856417493 /nfs/dbraw/zinc/41/74/93/856417493.db2.gz LRFAAFYRKJQMPQ-UHFFFAOYSA-N -1 1 402.903 4.406 20 0 HIADMM O=C([O-])C[C@H](NCc1csc(Br)c1)c1cnn(-c2ccccc2)c1 ZINC000426720219 856432986 /nfs/dbraw/zinc/43/29/86/856432986.db2.gz LIOKGUVYATXSEK-HNNXBMFYSA-N -1 1 406.305 4.002 20 0 HIADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2nc3cc(C(F)(F)F)ccc3n2C)cc1 ZINC000426735329 856443288 /nfs/dbraw/zinc/44/32/88/856443288.db2.gz DYSASRSNSPLDTD-MRXNPFEDSA-N -1 1 421.419 4.296 20 0 HIADMM COc1ccc(Br)cc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426762249 856463551 /nfs/dbraw/zinc/46/35/51/856463551.db2.gz IODQRBZPWCAECT-OAHLLOKOSA-N -1 1 402.647 4.166 20 0 HIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(-c3ccncc3)cc2F)cc1OC ZINC000426795481 856482707 /nfs/dbraw/zinc/48/27/07/856482707.db2.gz YDFCETQFZPKKLZ-HXUWFJFHSA-N -1 1 410.445 4.211 20 0 HIADMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@@H](NCc1cc(F)cc(F)c1)C(=O)[O-] ZINC000426797897 856484576 /nfs/dbraw/zinc/48/45/76/856484576.db2.gz HKWXFOIRTIYTBT-LJQANCHMSA-N -1 1 405.832 4.336 20 0 HIADMM CCc1ccc(-c2ccc(CN[C@H](Cc3cc(OC)cc(OC)c3)C(=O)[O-])o2)cc1 ZINC000426803214 856487112 /nfs/dbraw/zinc/48/71/12/856487112.db2.gz LDHCKLNSXPRXGM-JOCHJYFZSA-N -1 1 409.482 4.312 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Br)cc2C)c1OC ZINC000426808504 856490350 /nfs/dbraw/zinc/49/03/50/856490350.db2.gz RRMUAWAVBPDTKZ-INIZCTEOSA-N -1 1 408.292 4.080 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(OCc4cscn4)c3)cc2s1 ZINC000427212498 856715548 /nfs/dbraw/zinc/71/55/48/856715548.db2.gz LSZIMOFCKZKRHR-UHFFFAOYSA-N -1 1 417.537 4.441 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c(Br)c1 ZINC000427309211 856763236 /nfs/dbraw/zinc/76/32/36/856763236.db2.gz SGHSSINJCSTGRG-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c1 ZINC000427347030 856785183 /nfs/dbraw/zinc/78/51/83/856785183.db2.gz LUQSLWVFOSWSGJ-UHFFFAOYSA-N -1 1 420.874 4.281 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](C)C(F)(F)C3)cc2)cc1C ZINC000427585600 856878978 /nfs/dbraw/zinc/87/89/78/856878978.db2.gz AAABRJKLDMWJSV-INIZCTEOSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1ccc2nc([N-]S(=O)(=O)c3cc(Cl)ccc3Br)[nH]c2c1 ZINC000427635056 856893259 /nfs/dbraw/zinc/89/32/59/856893259.db2.gz ADNYWLHSKAAJFS-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000427945990 857018435 /nfs/dbraw/zinc/01/84/35/857018435.db2.gz MJTNOEOAHCDFJZ-UHFFFAOYSA-N -1 1 406.364 4.236 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Oc2ccc(CO)cc2)cc1 ZINC000428006934 857039587 /nfs/dbraw/zinc/03/95/87/857039587.db2.gz RKOSIJILLTYXFM-UHFFFAOYSA-N -1 1 407.470 4.325 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000428187562 857104664 /nfs/dbraw/zinc/10/46/64/857104664.db2.gz TYHHTNDAYTWWBQ-ROUUACIJSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1cc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)ccc1Oc1ccncc1 ZINC000428195270 857106885 /nfs/dbraw/zinc/10/68/85/857106885.db2.gz XJZHNFZSHFHZET-UHFFFAOYSA-N -1 1 417.469 4.119 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1(C)CCCC1 ZINC000428660995 857292495 /nfs/dbraw/zinc/29/24/95/857292495.db2.gz GAZQYUZWCFYEDM-UHFFFAOYSA-N -1 1 408.470 4.170 20 0 HIADMM Cc1nc(-c2ccc(NC[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)nc2)[n-]c(=O)c1C ZINC000428677819 857294736 /nfs/dbraw/zinc/29/47/36/857294736.db2.gz HJNQOAZTJKQCGS-YKSBVNFPSA-N -1 1 422.504 4.186 20 0 HIADMM CCN(C(=O)c1ccc(I)c([O-])c1)[C@@H](C)Cc1ccsc1 ZINC000428846615 857370085 /nfs/dbraw/zinc/37/00/85/857370085.db2.gz CNNXMCINONMGTD-NSHDSACASA-N -1 1 415.296 4.152 20 0 HIADMM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccccc3OC(F)F)c2O1 ZINC000430380410 858140369 /nfs/dbraw/zinc/14/03/69/858140369.db2.gz XVJZZYMMVBDJKS-UHFFFAOYSA-N -1 1 403.834 4.456 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)cc2)ccc1F ZINC000430470720 858183558 /nfs/dbraw/zinc/18/35/58/858183558.db2.gz IHLGQELOGHIWBS-RDTXWAMCSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)cc2)ccc1F ZINC000430470717 858183766 /nfs/dbraw/zinc/18/37/66/858183766.db2.gz IHLGQELOGHIWBS-KBXCAEBGSA-N -1 1 404.507 4.196 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccsc2Cl)c(Br)c1 ZINC000437675218 863018692 /nfs/dbraw/zinc/01/86/92/863018692.db2.gz PFIPXPNCPASBQQ-UHFFFAOYSA-N -1 1 424.725 4.142 20 0 HIADMM O=C(Cc1ccccc1F)Nc1cc([O-])c(Br)cc1Br ZINC000431452730 858623589 /nfs/dbraw/zinc/62/35/89/858623589.db2.gz YGJNOJZOYVBUIU-UHFFFAOYSA-N -1 1 403.045 4.238 20 0 HIADMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431642615 858706861 /nfs/dbraw/zinc/70/68/61/858706861.db2.gz GCPCGKVKWJOANT-PXAZEXFGSA-N -1 1 419.877 4.038 20 0 HIADMM Cc1sc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)nc1-c1c[nH]c2ncccc12 ZINC000431855310 858841721 /nfs/dbraw/zinc/84/17/21/858841721.db2.gz AVXLFYPYGZRCSZ-UHFFFAOYSA-N -1 1 422.514 4.349 20 0 HIADMM CCCc1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)o1 ZINC000431996519 858913142 /nfs/dbraw/zinc/91/31/42/858913142.db2.gz XIQCWUHNRIDTCF-UHFFFAOYSA-N -1 1 413.499 4.297 20 0 HIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(Br)s2)c1 ZINC000432071434 858967484 /nfs/dbraw/zinc/96/74/84/858967484.db2.gz JBBGQXZYUOLDAF-UHFFFAOYSA-N -1 1 408.726 4.476 20 0 HIADMM Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c2)c1 ZINC000432178356 859033067 /nfs/dbraw/zinc/03/30/67/859033067.db2.gz QHTORAUJJMWFPZ-UHFFFAOYSA-N -1 1 420.490 4.216 20 0 HIADMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432210087 859048538 /nfs/dbraw/zinc/04/85/38/859048538.db2.gz JLSYKHUNUYOBLA-UHFFFAOYSA-N -1 1 406.463 4.005 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CCC1)c1cc(Cl)sc1Cl ZINC000432300198 859092395 /nfs/dbraw/zinc/09/23/95/859092395.db2.gz SMBODSBGWPGWMC-CQSZACIVSA-N -1 1 406.356 4.237 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(COC)nc3c2)cc1 ZINC000432381489 859135821 /nfs/dbraw/zinc/13/58/21/859135821.db2.gz OTHIOFKSLZMVGC-UHFFFAOYSA-N -1 1 404.488 4.344 20 0 HIADMM Cc1c2cc(Br)ccc2sc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000432404263 859147220 /nfs/dbraw/zinc/14/72/20/859147220.db2.gz DIPAHLCZZFPIDK-UHFFFAOYSA-N -1 1 405.199 4.361 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)Nc1cccc2c1CCO2 ZINC000432419255 859156638 /nfs/dbraw/zinc/15/66/38/859156638.db2.gz ALTMKSVNLGMAOV-UHFFFAOYSA-N -1 1 409.467 4.066 20 0 HIADMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3cccc(Cl)c3Cl)cccc21 ZINC000432473667 859181579 /nfs/dbraw/zinc/18/15/79/859181579.db2.gz AHCDPKZYUMBEIH-CQSZACIVSA-N -1 1 401.315 4.179 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC3(CCC3)C[C@@H]2C)cc1 ZINC000432623941 859260302 /nfs/dbraw/zinc/26/03/02/859260302.db2.gz SRIQKVWUNDDEHS-INIZCTEOSA-N -1 1 416.518 4.340 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3ccc(Br)cc3n2)[n-]c1=O ZINC000432704531 859306011 /nfs/dbraw/zinc/30/60/11/859306011.db2.gz DEXVBSUQEBDNPB-FLIBITNWSA-N -1 1 414.259 4.230 20 0 HIADMM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000432748136 859333688 /nfs/dbraw/zinc/33/36/88/859333688.db2.gz SBZZBAKPZOYXLQ-UHFFFAOYSA-N -1 1 407.692 4.108 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1Cl ZINC000432761989 859341037 /nfs/dbraw/zinc/34/10/37/859341037.db2.gz YQUYAFBSKXLCIW-MRXNPFEDSA-N -1 1 421.906 4.186 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(Cl)c(OC)cc3C)c2)n1 ZINC000432777208 859356159 /nfs/dbraw/zinc/35/61/59/859356159.db2.gz UFPIUKWPFOYHHW-UHFFFAOYSA-N -1 1 421.906 4.379 20 0 HIADMM CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000432781810 859356970 /nfs/dbraw/zinc/35/69/70/859356970.db2.gz TXCOOPDBPDGWMW-UHFFFAOYSA-N -1 1 414.531 4.206 20 0 HIADMM CCOCCC1(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000432779561 859357243 /nfs/dbraw/zinc/35/72/43/859357243.db2.gz DENRJLWQVJQJBV-UHFFFAOYSA-N -1 1 416.543 4.331 20 0 HIADMM CCOCCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCC1 ZINC000432782757 859358257 /nfs/dbraw/zinc/35/82/57/859358257.db2.gz YSNFATODHDTKPK-UHFFFAOYSA-N -1 1 402.516 4.023 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000433343881 859655170 /nfs/dbraw/zinc/65/51/70/859655170.db2.gz OTMQHMOHWAZINQ-IBGZPJMESA-N -1 1 414.456 4.016 20 0 HIADMM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000433405563 859681768 /nfs/dbraw/zinc/68/17/68/859681768.db2.gz HCBKFWNTAGHKEF-OAQYLSRUSA-N -1 1 424.570 4.056 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(Br)s2)c(Cl)c1 ZINC000433519854 859751383 /nfs/dbraw/zinc/75/13/83/859751383.db2.gz WTBRGKAIOXUASZ-UHFFFAOYSA-N -1 1 423.741 4.232 20 0 HIADMM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433636429 859819110 /nfs/dbraw/zinc/81/91/10/859819110.db2.gz YJEQHYAJIPZCAZ-SSDOTTSWSA-N -1 1 400.772 4.135 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(C)c(C)cc3C)n[nH]2)cc1 ZINC000434967163 860578890 /nfs/dbraw/zinc/57/88/90/860578890.db2.gz FHZQILQGOFGRJK-UHFFFAOYSA-N -1 1 412.515 4.151 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1Br ZINC000435140163 860660986 /nfs/dbraw/zinc/66/09/86/860660986.db2.gz YWILOSNZRCXQPA-UHFFFAOYSA-N -1 1 409.349 4.467 20 0 HIADMM CS[C@@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000435387274 860780277 /nfs/dbraw/zinc/78/02/77/860780277.db2.gz ZARYXFJBJKRREM-LJQANCHMSA-N -1 1 418.584 4.154 20 0 HIADMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc32)s1 ZINC000467764495 881581402 /nfs/dbraw/zinc/58/14/02/881581402.db2.gz QKTPFRYJCHYLCT-UHFFFAOYSA-N -1 1 401.966 4.182 20 0 HIADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c(O)c1 ZINC000467763725 881581522 /nfs/dbraw/zinc/58/15/22/881581522.db2.gz VKMAEEROJVDWFG-UHFFFAOYSA-N -1 1 419.842 4.337 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCOC1)c1c(Cl)cc(F)cc1Cl ZINC000435440251 860799728 /nfs/dbraw/zinc/79/97/28/860799728.db2.gz UYNOYSZIFKGBJX-BLLLJJGKSA-N -1 1 404.290 4.189 20 0 HIADMM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435442464 860799991 /nfs/dbraw/zinc/79/99/91/860799991.db2.gz IREBMBGDSPDWDO-CQSZACIVSA-N -1 1 420.333 4.213 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)c(=O)[n-]1 ZINC000437950791 863324913 /nfs/dbraw/zinc/32/49/13/863324913.db2.gz GJGMUAZATJPOTO-UHFFFAOYSA-N -1 1 412.342 4.037 20 0 HIADMM Cc1[nH]ccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438045719 863406439 /nfs/dbraw/zinc/40/64/39/863406439.db2.gz CYXLKENLLDXBBD-UHFFFAOYSA-N -1 1 407.854 4.169 20 0 HIADMM Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)[nH]1 ZINC000438058368 863428955 /nfs/dbraw/zinc/42/89/55/863428955.db2.gz RRAFHUPVAHPPHF-UHFFFAOYSA-N -1 1 421.881 4.477 20 0 HIADMM Cc1ccoc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438062464 863436938 /nfs/dbraw/zinc/43/69/38/863436938.db2.gz WLRQWKSMRBWLFI-UHFFFAOYSA-N -1 1 408.838 4.434 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000438066650 863444651 /nfs/dbraw/zinc/44/46/51/863444651.db2.gz RFNZYKALZGUQLO-JKSUJKDBSA-N -1 1 408.882 4.265 20 0 HIADMM CCc1ncsc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000438242437 863700662 /nfs/dbraw/zinc/70/06/62/863700662.db2.gz BQSLIGMDYQCSGM-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000438246246 863709171 /nfs/dbraw/zinc/70/91/71/863709171.db2.gz ZFGSKIAXRAWMMG-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM O=C(N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1[O-] ZINC000438460773 863883088 /nfs/dbraw/zinc/88/30/88/863883088.db2.gz XWPXQDHJOOPWLF-QGZVFWFLSA-N -1 1 412.371 4.202 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000438465988 863887542 /nfs/dbraw/zinc/88/75/42/863887542.db2.gz MDSSYKMVWNJVOT-TXTKFYIRSA-N -1 1 414.505 4.212 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C)c(O)c3)c2)c1 ZINC000438760747 864255632 /nfs/dbraw/zinc/25/56/32/864255632.db2.gz YQDGCCUSHJHOHW-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438783802 864278899 /nfs/dbraw/zinc/27/88/99/864278899.db2.gz FYUPVQXTEPNJPM-UHFFFAOYSA-N -1 1 407.692 4.108 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000438798783 864289319 /nfs/dbraw/zinc/28/93/19/864289319.db2.gz VENDLQKSTPLDLY-UHFFFAOYSA-N -1 1 418.469 4.059 20 0 HIADMM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438802893 864294746 /nfs/dbraw/zinc/29/47/46/864294746.db2.gz FGYROBQZANKQCN-HNNXBMFYSA-N -1 1 404.507 4.258 20 0 HIADMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1F ZINC000438805489 864295594 /nfs/dbraw/zinc/29/55/94/864295594.db2.gz MTQHAJFLRAJZLY-UHFFFAOYSA-N -1 1 406.410 4.228 20 0 HIADMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000438809523 864300378 /nfs/dbraw/zinc/30/03/78/864300378.db2.gz IDRVKKOKJWPTGJ-UHFFFAOYSA-N -1 1 417.556 4.063 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)C3(C)CC3)c2)c1 ZINC000439021394 864475812 /nfs/dbraw/zinc/47/58/12/864475812.db2.gz JQZHFNRSWGSMTM-KRWDZBQOSA-N -1 1 400.544 4.365 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)c(=O)[n-]1 ZINC000439118805 864555877 /nfs/dbraw/zinc/55/58/77/864555877.db2.gz NAJWOIJLBJGCTN-UHFFFAOYSA-N -1 1 419.856 4.480 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1F ZINC000467926996 881801058 /nfs/dbraw/zinc/80/10/58/881801058.db2.gz MAPZJKILKHCXQN-UHFFFAOYSA-N -1 1 401.740 4.446 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC2(C(C)C)CC2)c1 ZINC000439985709 865291309 /nfs/dbraw/zinc/29/13/09/865291309.db2.gz BSFBBNJYPNASIV-UHFFFAOYSA-N -1 1 400.544 4.270 20 0 HIADMM CC(C)C1(CNC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000440243223 865478860 /nfs/dbraw/zinc/47/88/60/865478860.db2.gz NWVHXQKEXIWPNF-UHFFFAOYSA-N -1 1 415.559 4.065 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000440291646 865544117 /nfs/dbraw/zinc/54/41/17/865544117.db2.gz IUSBWENRSXGXHZ-MRXNPFEDSA-N -1 1 422.912 4.114 20 0 HIADMM C[C@@H]1CC[C@H](CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)O1 ZINC000440367383 865650164 /nfs/dbraw/zinc/65/01/64/865650164.db2.gz OJTWIZKILYSZKC-RDTXWAMCSA-N -1 1 422.934 4.427 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)CC[C@H]3C)ccc2C)c1 ZINC000440408059 865701699 /nfs/dbraw/zinc/70/16/99/865701699.db2.gz JZSVRZYZOQEALF-SJLPKXTDSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3c(Cl)ccc4ccccc43)CCCCC2)no1 ZINC000440411467 865706859 /nfs/dbraw/zinc/70/68/59/865706859.db2.gz DXMGBYCLWFQCQX-UHFFFAOYSA-N -1 1 405.907 4.323 20 0 HIADMM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)c(F)cc1F ZINC000440417435 865716425 /nfs/dbraw/zinc/71/64/25/865716425.db2.gz QUOUEMKXNBGKJW-SNVBAGLBSA-N -1 1 401.385 4.058 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CC(F)(F)C1 ZINC000440523230 865803812 /nfs/dbraw/zinc/80/38/12/865803812.db2.gz YDKWIFZZPCHEJQ-UHFFFAOYSA-N -1 1 400.834 4.125 20 0 HIADMM CCOCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000440816054 865932437 /nfs/dbraw/zinc/93/24/37/865932437.db2.gz XKQOPTKCRHTZKZ-JOCHJYFZSA-N -1 1 418.493 4.325 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(CCC(F)(F)F)c2)c1 ZINC000440928087 866024921 /nfs/dbraw/zinc/02/49/21/866024921.db2.gz MPVHOGZAYYMPKR-UHFFFAOYSA-N -1 1 400.422 4.114 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc2c(n1)CCCC2 ZINC000441705317 866813460 /nfs/dbraw/zinc/81/34/60/866813460.db2.gz UWELRMVHASZKQG-UHFFFAOYSA-N -1 1 407.495 4.014 20 0 HIADMM O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cccc(C(F)(F)F)c1 ZINC000442246221 867287778 /nfs/dbraw/zinc/28/77/78/867287778.db2.gz ZMPUNVNLPJNZHJ-QZTJIDSGSA-N -1 1 415.433 4.189 20 0 HIADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000442338940 867333889 /nfs/dbraw/zinc/33/38/89/867333889.db2.gz YPRIFQZRHWZMCG-UHFFFAOYSA-N -1 1 417.556 4.096 20 0 HIADMM CC(=O)Nc1cccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000442866711 867705050 /nfs/dbraw/zinc/70/50/50/867705050.db2.gz MGBJXSAXQXZFOQ-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)cc(Cl)c1[O-] ZINC000442944761 867758047 /nfs/dbraw/zinc/75/80/47/867758047.db2.gz MRYCPRWJFIVXKP-UHFFFAOYSA-N -1 1 402.878 4.287 20 0 HIADMM COc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc(Cl)c1[O-] ZINC000442970411 867771367 /nfs/dbraw/zinc/77/13/67/867771367.db2.gz UYULPWRBWHKTHA-UHFFFAOYSA-N -1 1 400.862 4.414 20 0 HIADMM O=c1nc(Cc2cccc(Br)c2[O-])[nH]c2sc3c(c21)CCSC3 ZINC000443043144 867800981 /nfs/dbraw/zinc/80/09/81/867800981.db2.gz ABEGIJIDMRUHER-UHFFFAOYSA-N -1 1 409.330 4.245 20 0 HIADMM COc1cc(C(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc(Cl)c1[O-] ZINC000443120643 867829533 /nfs/dbraw/zinc/82/95/33/867829533.db2.gz PCNDKWGVEFNWJM-UHFFFAOYSA-N -1 1 417.874 4.388 20 0 HIADMM COc1cc(-c2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)no2)cc(Cl)c1[O-] ZINC000443199003 867871041 /nfs/dbraw/zinc/87/10/41/867871041.db2.gz SECMJUWBOATEIW-GFCCVEGCSA-N -1 1 413.861 4.396 20 0 HIADMM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1c(Cl)cccc1C(F)(F)F ZINC000443236025 867883227 /nfs/dbraw/zinc/88/32/27/867883227.db2.gz MCJUFXDRWOSUBA-HNNXBMFYSA-N -1 1 407.841 4.151 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)c(F)c1)c1cccc2ncccc21 ZINC000443414312 867998613 /nfs/dbraw/zinc/99/86/13/867998613.db2.gz IDEAFWHYRJFVQY-UHFFFAOYSA-N -1 1 400.353 4.116 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c(C)c(OC)c1 ZINC000443417861 868001533 /nfs/dbraw/zinc/00/15/33/868001533.db2.gz MGHBNZNNTKVVPH-UHFFFAOYSA-N -1 1 404.513 4.245 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c(Cl)c1Cl ZINC000443417432 868001937 /nfs/dbraw/zinc/00/19/37/868001937.db2.gz MICJPNYZBJCTTK-UHFFFAOYSA-N -1 1 403.331 4.486 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(C)cc1O[C@H](C)CC(C)C ZINC000468250613 882155954 /nfs/dbraw/zinc/15/59/54/882155954.db2.gz FASFWHFATFZOJO-CQSZACIVSA-N -1 1 403.548 4.264 20 0 HIADMM CC[C@]1(C)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)C1 ZINC000468252956 882160503 /nfs/dbraw/zinc/16/05/03/882160503.db2.gz VBMWNZKDNDIBFS-JOCHJYFZSA-N -1 1 400.544 4.366 20 0 HIADMM CC[C@@]1(C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)C1 ZINC000468262000 882174747 /nfs/dbraw/zinc/17/47/47/882174747.db2.gz RELWZHMJUSGGKZ-NRFANRHFSA-N -1 1 404.507 4.197 20 0 HIADMM CC[C@]1(C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)C1 ZINC000468262002 882176281 /nfs/dbraw/zinc/17/62/81/882176281.db2.gz RELWZHMJUSGGKZ-OAQYLSRUSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1ccc(C(=O)N2CCC3(CCC3)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000468265522 882183043 /nfs/dbraw/zinc/18/30/43/882183043.db2.gz VUCCPVKTHDGUTQ-UHFFFAOYSA-N -1 1 418.946 4.465 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCCc3cccnc32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000443946512 868484185 /nfs/dbraw/zinc/48/41/85/868484185.db2.gz YEDKPDOTRNFYPP-HXUWFJFHSA-N -1 1 421.522 4.249 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000468277811 882199292 /nfs/dbraw/zinc/19/92/92/882199292.db2.gz HLEIVVYOCHAIOX-NSHDSACASA-N -1 1 413.465 4.084 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](C(C)C)C3)c2)cc1 ZINC000444356386 868780949 /nfs/dbraw/zinc/78/09/49/868780949.db2.gz DHEBEKOEKAECKW-GOSISDBHSA-N -1 1 416.543 4.004 20 0 HIADMM Cn1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c(C2CCCCC2)n1 ZINC000444361112 868788366 /nfs/dbraw/zinc/78/83/66/868788366.db2.gz DWXJENUTLSUYHP-UHFFFAOYSA-N -1 1 424.545 4.488 20 0 HIADMM CN(CC1(c2ccccc2)CC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000444367771 868792974 /nfs/dbraw/zinc/79/29/74/868792974.db2.gz VEUVSKDOBHLWQC-UHFFFAOYSA-N -1 1 420.534 4.291 20 0 HIADMM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444377040 868801005 /nfs/dbraw/zinc/80/10/05/868801005.db2.gz VSFWKTXUQIDIKI-UHFFFAOYSA-N -1 1 409.461 4.256 20 0 HIADMM CC[C@H](C)[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(F)(F)F ZINC000444541594 868874874 /nfs/dbraw/zinc/87/48/74/868874874.db2.gz HWJXHCFIQXRMBG-GUYCJALGSA-N -1 1 414.449 4.194 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000444642415 868927133 /nfs/dbraw/zinc/92/71/33/868927133.db2.gz WZIGTLHVCANGNU-LJQANCHMSA-N -1 1 402.498 4.272 20 0 HIADMM Cc1sccc1CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000468340750 882274483 /nfs/dbraw/zinc/27/44/83/882274483.db2.gz QTJIIJNPSRKSHM-UHFFFAOYSA-N -1 1 404.488 4.178 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)c1 ZINC000468361289 882302141 /nfs/dbraw/zinc/30/21/41/882302141.db2.gz RPBZUCZREZVPNI-UHFFFAOYSA-N -1 1 408.202 4.179 20 0 HIADMM COc1cc(-c2noc(CCc3cccc(F)c3F)n2)cc(Br)c1[O-] ZINC000445388984 869474167 /nfs/dbraw/zinc/47/41/67/869474167.db2.gz DCGBLRRKWROICB-UHFFFAOYSA-N -1 1 411.202 4.277 20 0 HIADMM COc1cccc([C@@H]2C[C@H]2c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1 ZINC000445390190 869475825 /nfs/dbraw/zinc/47/58/25/869475825.db2.gz HVJYASJQHMVKMS-UONOGXRCSA-N -1 1 417.259 4.493 20 0 HIADMM COc1cc(-c2noc(-c3cccc(-n4ccnc4)c3)n2)cc(Br)c1[O-] ZINC000445395088 869480396 /nfs/dbraw/zinc/48/03/96/869480396.db2.gz SUIFPKGPLRHZQM-UHFFFAOYSA-N -1 1 413.231 4.066 20 0 HIADMM COc1cc(-c2noc(-c3cc(=O)[nH]c(C(C)C)c3)n2)cc(Br)c1[O-] ZINC000445398841 869484393 /nfs/dbraw/zinc/48/43/93/869484393.db2.gz ZNKPWZRBTRDQBW-UHFFFAOYSA-N -1 1 406.236 4.104 20 0 HIADMM COc1cc(-c2noc(C3=Cc4ccccc4OC3)n2)cc(Br)c1[O-] ZINC000445402368 869486836 /nfs/dbraw/zinc/48/68/36/869486836.db2.gz KBCUQCWBGHHVGC-UHFFFAOYSA-N -1 1 401.216 4.146 20 0 HIADMM COc1ccc([C@H]2[C@@H](c3nc(-c4ccc([O-])cc4Cl)no3)CCC(=O)N2C)cc1 ZINC000445451919 869531182 /nfs/dbraw/zinc/53/11/82/869531182.db2.gz MGJRQFBQCDHNFH-LPHOPBHVSA-N -1 1 413.861 4.181 20 0 HIADMM [O-]c1ccc(-c2noc(CSc3nncn3-c3cccc(Cl)c3)n2)c(F)c1 ZINC000445460759 869537021 /nfs/dbraw/zinc/53/70/21/869537021.db2.gz CULVMHRCIWHEAW-UHFFFAOYSA-N -1 1 403.826 4.108 20 0 HIADMM [O-]c1ccc(-c2noc(CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1F ZINC000445483365 869554297 /nfs/dbraw/zinc/55/42/97/869554297.db2.gz TVSGXEXRKISOMW-UHFFFAOYSA-N -1 1 400.797 4.460 20 0 HIADMM CC(C)(C)n1cc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)cn1 ZINC000445643163 869713943 /nfs/dbraw/zinc/71/39/43/869713943.db2.gz TVRKKULYABBPQD-UHFFFAOYSA-N -1 1 423.498 4.156 20 0 HIADMM Cc1ccc(NC(=O)C[C@H]2CCCCO2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000445651200 869721590 /nfs/dbraw/zinc/72/15/90/869721590.db2.gz RDWXDGCVMYHWQA-GOSISDBHSA-N -1 1 422.934 4.347 20 0 HIADMM COC[C@@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000445652559 869723387 /nfs/dbraw/zinc/72/33/87/869723387.db2.gz KYLQTNLUEATFQQ-ZDUSSCGKSA-N -1 1 410.923 4.060 20 0 HIADMM CCc1noc(C)c1-c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000445805095 869831909 /nfs/dbraw/zinc/83/19/09/869831909.db2.gz GLVDAYYCFAMJMB-UHFFFAOYSA-N -1 1 410.455 4.063 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](C(C)C)C3)c2)c1 ZINC000446517079 870435021 /nfs/dbraw/zinc/43/50/21/870435021.db2.gz CMACMSNCSIADIJ-LJQANCHMSA-N -1 1 400.544 4.222 20 0 HIADMM CC[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000446602459 870507706 /nfs/dbraw/zinc/50/77/06/870507706.db2.gz UHKKUTWFLAKFIU-CYBMUJFWSA-N -1 1 410.898 4.152 20 0 HIADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(Br)s2)c1-c1cccs1 ZINC000446956001 870860836 /nfs/dbraw/zinc/86/08/36/870860836.db2.gz FMDSHEVIXPNJHW-UHFFFAOYSA-N -1 1 418.363 4.325 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1Cl)C(C)C ZINC000447260727 871139069 /nfs/dbraw/zinc/13/90/69/871139069.db2.gz NIXJVLBYCMRVFE-UHFFFAOYSA-N -1 1 412.914 4.459 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3F)nc2)c(Cl)c1 ZINC000447270470 871153737 /nfs/dbraw/zinc/15/37/37/871153737.db2.gz KSCSTFNMDZGHLQ-UHFFFAOYSA-N -1 1 422.821 4.165 20 0 HIADMM O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c1 ZINC000447277326 871169779 /nfs/dbraw/zinc/16/97/79/871169779.db2.gz HLXVYEILGPLGGV-UHFFFAOYSA-N -1 1 412.433 4.047 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1Cl)C(C)C ZINC000447277259 871171425 /nfs/dbraw/zinc/17/14/25/871171425.db2.gz GORPHECVIBYMNQ-UHFFFAOYSA-N -1 1 410.923 4.020 20 0 HIADMM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1nnc(Cc2cccs2)[n-]1 ZINC000447477276 871365028 /nfs/dbraw/zinc/36/50/28/871365028.db2.gz HNUHWGAFCRRHPS-VIFPVBQESA-N -1 1 402.328 4.299 20 0 HIADMM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000447477276 871365055 /nfs/dbraw/zinc/36/50/55/871365055.db2.gz HNUHWGAFCRRHPS-VIFPVBQESA-N -1 1 402.328 4.299 20 0 HIADMM Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)n1 ZINC000447482145 871367789 /nfs/dbraw/zinc/36/77/89/871367789.db2.gz YIIJKCIWNVFQHE-ZDUSSCGKSA-N -1 1 412.446 4.109 20 0 HIADMM Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)n1 ZINC000447482145 871367803 /nfs/dbraw/zinc/36/78/03/871367803.db2.gz YIIJKCIWNVFQHE-ZDUSSCGKSA-N -1 1 412.446 4.109 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000447778053 871707644 /nfs/dbraw/zinc/70/76/44/871707644.db2.gz HSKHAFREKMLFKH-UHFFFAOYSA-N -1 1 415.311 4.169 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447781071 871711122 /nfs/dbraw/zinc/71/11/22/871711122.db2.gz ZMNPDSMYKWWHKC-UHFFFAOYSA-N -1 1 416.396 4.302 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447786851 871719502 /nfs/dbraw/zinc/71/95/02/871719502.db2.gz NRSMRUCMDGMQIF-UHFFFAOYSA-N -1 1 410.373 4.415 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)c1 ZINC000448055000 871884754 /nfs/dbraw/zinc/88/47/54/871884754.db2.gz SZNKSNVBKRYZFI-UHFFFAOYSA-N -1 1 414.527 4.143 20 0 HIADMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)n1C ZINC000448126208 872000653 /nfs/dbraw/zinc/00/06/53/872000653.db2.gz AMDJFWWGNSSCGR-UHFFFAOYSA-N -1 1 404.495 4.258 20 0 HIADMM COc1cc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc(Cl)c1[O-] ZINC000460187462 872753668 /nfs/dbraw/zinc/75/36/68/872753668.db2.gz GEYAAVVTQRHOOS-UHFFFAOYSA-N -1 1 402.809 4.311 20 0 HIADMM COc1cc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc(Cl)c1[O-] ZINC000460197605 872772984 /nfs/dbraw/zinc/77/29/84/872772984.db2.gz YTFZSWFJLQTTBN-UHFFFAOYSA-N -1 1 402.903 4.459 20 0 HIADMM COc1cc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc(Cl)c1[O-] ZINC000460208215 872789692 /nfs/dbraw/zinc/78/96/92/872789692.db2.gz AHSRIBOKJZPWEA-UHFFFAOYSA-N -1 1 413.905 4.437 20 0 HIADMM CCC(CC)N(CC)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000460357923 872984009 /nfs/dbraw/zinc/98/40/09/872984009.db2.gz ATZFGUKNCHSOIG-UHFFFAOYSA-N -1 1 421.538 4.347 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)cc(C)c1F ZINC000460415422 873072665 /nfs/dbraw/zinc/07/26/65/873072665.db2.gz ZLSWBKJCHGPJFN-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM CCCN(CCc1cccs1)C(=O)c1ccc(I)c([O-])c1 ZINC000468595430 882684785 /nfs/dbraw/zinc/68/47/85/882684785.db2.gz KIJMSALELBHMJR-UHFFFAOYSA-N -1 1 415.296 4.153 20 0 HIADMM COc1ccccc1[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000460432824 873097413 /nfs/dbraw/zinc/09/74/13/873097413.db2.gz WINDQNFPPLGPAP-OAHLLOKOSA-N -1 1 409.511 4.136 20 0 HIADMM COCCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1C ZINC000460435848 873102697 /nfs/dbraw/zinc/10/26/97/873102697.db2.gz GZXVZCOQCDCRCI-UHFFFAOYSA-N -1 1 411.527 4.197 20 0 HIADMM COc1ccc(-c2ccc(CNC(=O)CCc3c(C)nc(SC)[n-]c3=O)cc2)cc1 ZINC000460556355 873275612 /nfs/dbraw/zinc/27/56/12/873275612.db2.gz MDVGTTRZBBEYLJ-UHFFFAOYSA-N -1 1 423.538 4.137 20 0 HIADMM CCCc1ncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000460691352 873450929 /nfs/dbraw/zinc/45/09/29/873450929.db2.gz FPANYYLHAQRVBM-UHFFFAOYSA-N -1 1 401.513 4.149 20 0 HIADMM CCCc1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000460713676 873503223 /nfs/dbraw/zinc/50/32/23/873503223.db2.gz AHNBQLCBGLWORC-UHFFFAOYSA-N -1 1 415.540 4.457 20 0 HIADMM Cc1ccncc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000460808277 873684923 /nfs/dbraw/zinc/68/49/23/873684923.db2.gz ACEUCJSCXKBZGQ-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM COC1(c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)n2)CCCC1 ZINC000460819581 873700095 /nfs/dbraw/zinc/70/00/95/873700095.db2.gz ZXOQLDIYBFHZAS-UHFFFAOYSA-N -1 1 417.462 4.092 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000460822109 873704746 /nfs/dbraw/zinc/70/47/46/873704746.db2.gz DCZWSSAEUOVURS-UHFFFAOYSA-N -1 1 407.385 4.064 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(Oc3cc(C)ccn3)c2)c1 ZINC000460822484 873706103 /nfs/dbraw/zinc/70/61/03/873706103.db2.gz FCYIFVQHTWLMPW-UHFFFAOYSA-N -1 1 412.467 4.078 20 0 HIADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)cc21 ZINC000460824205 873708145 /nfs/dbraw/zinc/70/81/45/873708145.db2.gz PZPNSSRDRXANDC-UHFFFAOYSA-N -1 1 423.469 4.371 20 0 HIADMM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000460823858 873709459 /nfs/dbraw/zinc/70/94/59/873709459.db2.gz NYPZKVLMECJHEK-UHFFFAOYSA-N -1 1 418.584 4.330 20 0 HIADMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc3nc(C(C)C)sc3c2)cc1 ZINC000460829067 873715022 /nfs/dbraw/zinc/71/50/22/873715022.db2.gz HDAGBUHPHSTZFT-UHFFFAOYSA-N -1 1 406.529 4.249 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCOCC3)c2)c1 ZINC000460831678 873719329 /nfs/dbraw/zinc/71/93/29/873719329.db2.gz SOPPLYWMBMCKPH-HHHXNRCGSA-N -1 1 421.584 4.039 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)cc(C)c1F ZINC000460837672 873728083 /nfs/dbraw/zinc/72/80/83/873728083.db2.gz PCYQVECJUKQJME-UHFFFAOYSA-N -1 1 404.507 4.260 20 0 HIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000460841401 873732156 /nfs/dbraw/zinc/73/21/56/873732156.db2.gz SFVZHSOWHCBARS-UHFFFAOYSA-N -1 1 402.560 4.479 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@@H]1Cc2ccccc21 ZINC000460842026 873732387 /nfs/dbraw/zinc/73/23/87/873732387.db2.gz WWRVSXSZRYRXMO-HXUWFJFHSA-N -1 1 412.898 4.419 20 0 HIADMM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000460981866 873873048 /nfs/dbraw/zinc/87/30/48/873873048.db2.gz QLCYLHWNPSCTGN-FQEVSTJZSA-N -1 1 416.518 4.196 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000461043470 873906731 /nfs/dbraw/zinc/90/67/31/873906731.db2.gz OFJGFJXNXXEHRL-OAQYLSRUSA-N -1 1 414.509 4.085 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Br)s1 ZINC000461109784 874032937 /nfs/dbraw/zinc/03/29/37/874032937.db2.gz CVQAQVVXJALGBO-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM CCSCc1ccnc([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC000461116037 874040515 /nfs/dbraw/zinc/04/05/15/874040515.db2.gz ZQIPPQWBKVXQHY-UHFFFAOYSA-N -1 1 415.378 4.082 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000461190359 874182746 /nfs/dbraw/zinc/18/27/46/874182746.db2.gz DBXUNDKXXGUMPT-KRWDZBQOSA-N -1 1 418.559 4.038 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000461191774 874185174 /nfs/dbraw/zinc/18/51/74/874185174.db2.gz IMVYTNGABIWWIT-LAUBAEHRSA-N -1 1 416.525 4.137 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000461197213 874196045 /nfs/dbraw/zinc/19/60/45/874196045.db2.gz PZQWFEFRCGJKTF-FQEVSTJZSA-N -1 1 414.502 4.031 20 0 HIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3Br)cc2)c1C ZINC000461223765 874226071 /nfs/dbraw/zinc/22/60/71/874226071.db2.gz YOOWQWLOVXGEMS-UHFFFAOYSA-N -1 1 420.332 4.361 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000461300336 874306743 /nfs/dbraw/zinc/30/67/43/874306743.db2.gz JAHFSVKRWQJRQY-VFNWGFHPSA-N -1 1 420.488 4.234 20 0 HIADMM O=S(=O)([N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(C(F)(F)F)s1 ZINC000461337172 874347392 /nfs/dbraw/zinc/34/73/92/874347392.db2.gz GNKRIKUMFDXXLU-LBPRGKRZSA-N -1 1 417.434 4.296 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000461341297 874351415 /nfs/dbraw/zinc/35/14/15/874351415.db2.gz UODSKTOALMBFKZ-DFQSSKMNSA-N -1 1 412.555 4.494 20 0 HIADMM CCCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000461418046 874439485 /nfs/dbraw/zinc/43/94/85/874439485.db2.gz AQBDWRQWQARZCE-CQSZACIVSA-N -1 1 410.486 4.416 20 0 HIADMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)c2C1 ZINC000461421813 874446439 /nfs/dbraw/zinc/44/64/39/874446439.db2.gz CGCQEARCSVNPGB-UHFFFAOYSA-N -1 1 400.422 4.110 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000461484359 874545495 /nfs/dbraw/zinc/54/54/95/874545495.db2.gz FZMCLPIITTVGSK-QRWLVFNGSA-N -1 1 402.491 4.031 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]4CCC[C@@H]43)cc2)ccc1F ZINC000461503156 874577954 /nfs/dbraw/zinc/57/79/54/874577954.db2.gz PAKVIOYZUVUKJK-IERDGZPVSA-N -1 1 416.518 4.340 20 0 HIADMM O=C(NCc1ccc[nH]1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000462071173 875181826 /nfs/dbraw/zinc/18/18/26/875181826.db2.gz KWGNDVLPZKSUCT-UHFFFAOYSA-N -1 1 424.309 4.052 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c(Cl)c1 ZINC000462072820 875183215 /nfs/dbraw/zinc/18/32/15/875183215.db2.gz JXTIDFUATHASBH-UHFFFAOYSA-N -1 1 423.874 4.271 20 0 HIADMM Cc1csc(Nc2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)n1 ZINC000462076926 875187379 /nfs/dbraw/zinc/18/73/79/875187379.db2.gz SFXQTWUFPAQSBK-UHFFFAOYSA-N -1 1 423.903 4.348 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1C(C)(C)C)c1nc(-c2cccnc2)no1 ZINC000462159557 875256115 /nfs/dbraw/zinc/25/61/15/875256115.db2.gz QZWGSUMTOVNJEO-GOSISDBHSA-N -1 1 414.531 4.105 20 0 HIADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000462320348 875439413 /nfs/dbraw/zinc/43/94/13/875439413.db2.gz JJDUPZIWJHSGNV-ZDUSSCGKSA-N -1 1 411.829 4.180 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000462461943 875568658 /nfs/dbraw/zinc/56/86/58/875568658.db2.gz ZMFVOCQFBLSLJC-RKDXNWHRSA-N -1 1 406.289 4.218 20 0 HIADMM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1c(Cl)cccc1Cl ZINC000462586291 875705188 /nfs/dbraw/zinc/70/51/88/875705188.db2.gz FJOUFPLXCNWSSP-UHFFFAOYSA-N -1 1 404.290 4.117 20 0 HIADMM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC000462607199 875720476 /nfs/dbraw/zinc/72/04/76/875720476.db2.gz NULDCFHXFFQVJC-LLVKDONJSA-N -1 1 423.840 4.113 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000462667982 875767558 /nfs/dbraw/zinc/76/75/58/875767558.db2.gz JJOCAPIHEANPDD-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)Oc1ccccc1F ZINC000462707927 875790908 /nfs/dbraw/zinc/79/09/08/875790908.db2.gz VTFNLNGQDUTSDC-SNVBAGLBSA-N -1 1 411.804 4.244 20 0 HIADMM COCCOc1ccc([C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1OC ZINC000462785899 875840064 /nfs/dbraw/zinc/84/00/64/875840064.db2.gz SNFWXXJPWLFBBT-MRXNPFEDSA-N -1 1 424.501 4.068 20 0 HIADMM COc1ccc(CN(C)c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1OC(F)F ZINC000462923059 875951867 /nfs/dbraw/zinc/95/18/67/875951867.db2.gz KBYWZMNOOHACCZ-UHFFFAOYSA-N -1 1 416.428 4.107 20 0 HIADMM CC[C@@H](CN(C)C(=O)c1nc2ccccc2c(=O)[n-]1)Oc1ccc(Cl)c(Cl)c1 ZINC000468927257 882988416 /nfs/dbraw/zinc/98/84/16/882988416.db2.gz JRWAMGISRMAXNX-LBPRGKRZSA-N -1 1 420.296 4.160 20 0 HIADMM O=C(Cc1cc(F)ccc1F)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000463111979 876151553 /nfs/dbraw/zinc/15/15/53/876151553.db2.gz IQGODXZCDVVFFP-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM Cc1ccc(NC(=O)Cc2cc(F)ccc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000463374525 876430047 /nfs/dbraw/zinc/43/00/47/876430047.db2.gz HSWLUSDSTHHDDA-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM COc1ccc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cc1 ZINC000468968613 883035694 /nfs/dbraw/zinc/03/56/94/883035694.db2.gz OSJNZYSQBSDSKF-UHFFFAOYSA-N -1 1 407.651 4.205 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c(=O)[n-]1 ZINC000468989971 883056909 /nfs/dbraw/zinc/05/69/09/883056909.db2.gz OYYJZWLCMJLKEX-UHFFFAOYSA-N -1 1 419.497 4.129 20 0 HIADMM O=S(=O)([N-]Cc1cccnc1Oc1cccc(F)c1)c1c(F)cccc1Cl ZINC000463667447 876789513 /nfs/dbraw/zinc/78/95/13/876789513.db2.gz FWCWONXIIDETIZ-UHFFFAOYSA-N -1 1 410.829 4.284 20 0 HIADMM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CCOCC1)c1c(F)cccc1Cl ZINC000463682866 876804761 /nfs/dbraw/zinc/80/47/61/876804761.db2.gz TWSLSEJRXAYCHS-UHFFFAOYSA-N -1 1 418.317 4.159 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(SC)c(Cl)c3)ccc2o1 ZINC000464402646 877604075 /nfs/dbraw/zinc/60/40/75/877604075.db2.gz AQONDZIFPKFDLY-UHFFFAOYSA-N -1 1 412.920 4.193 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3nc(C)c(C)nc3C)ccc2C)c1 ZINC000464469967 877692835 /nfs/dbraw/zinc/69/28/35/877692835.db2.gz UUCHFQRYBISIMY-UHFFFAOYSA-N -1 1 424.526 4.072 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000464586681 877811022 /nfs/dbraw/zinc/81/10/22/877811022.db2.gz QUCMPIWUQYWLLQ-OAQYLSRUSA-N -1 1 404.507 4.279 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)ccc1F ZINC000464839480 878105186 /nfs/dbraw/zinc/10/51/86/878105186.db2.gz RFRSWBIMEPTJRX-UHFFFAOYSA-N -1 1 404.385 4.080 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(O)c2C)cc1 ZINC000503342258 912320555 /nfs/dbraw/zinc/32/05/55/912320555.db2.gz NDFRZPAFAYNZBS-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000465084271 878446274 /nfs/dbraw/zinc/44/62/74/878446274.db2.gz KMWKFFIRSJACTL-HZPDHXFCSA-N -1 1 404.919 4.013 20 0 HIADMM Cc1c(F)cccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000465280216 878716706 /nfs/dbraw/zinc/71/67/06/878716706.db2.gz IJFAXFJNKYWPFG-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)C[C@@H]3CC)cc2)cc1 ZINC000465292170 878730128 /nfs/dbraw/zinc/73/01/28/878730128.db2.gz SCIPMMOAIQNULD-APWZRJJASA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000465295445 878736433 /nfs/dbraw/zinc/73/64/33/878736433.db2.gz NEOVFGIHXNCIAZ-XJKSGUPXSA-N -1 1 408.470 4.026 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000465297697 878740173 /nfs/dbraw/zinc/74/01/73/878740173.db2.gz VTLYDSSKSDSMNL-UZLBHIALSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000465297205 878740664 /nfs/dbraw/zinc/74/06/64/878740664.db2.gz SSNWPXWKPYPVEU-RDTXWAMCSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1onc(-c2cccc(Br)c2)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000503431222 912431067 /nfs/dbraw/zinc/43/10/67/912431067.db2.gz LJWPPKWXFLSRCB-UHFFFAOYSA-N -1 1 415.219 4.454 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(-c4nccs4)cc3)cc2F)c1 ZINC000466349830 880107677 /nfs/dbraw/zinc/10/76/77/880107677.db2.gz KVFBUFABVGTTGW-UHFFFAOYSA-N -1 1 414.487 4.244 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000466864692 880633101 /nfs/dbraw/zinc/63/31/01/880633101.db2.gz LRFSVPISMPJDDW-VIFPVBQESA-N -1 1 402.822 4.384 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cn(C(C)C)cn3)ccc2C)c1 ZINC000466928924 880696784 /nfs/dbraw/zinc/69/67/84/880696784.db2.gz KPNCPSMZETYPRH-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000466956705 880740201 /nfs/dbraw/zinc/74/02/01/880740201.db2.gz AOQAFFAWWFYJSQ-INIZCTEOSA-N -1 1 423.506 4.077 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3Cc3ccccc3)cc2oc1=O ZINC000466970429 880769283 /nfs/dbraw/zinc/76/92/83/880769283.db2.gz CPCHDHSGVXQJQF-UHFFFAOYSA-N -1 1 408.479 4.006 20 0 HIADMM CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000467087433 880854868 /nfs/dbraw/zinc/85/48/68/880854868.db2.gz XTXVCBVROKSZHV-UHFFFAOYSA-N -1 1 415.433 4.390 20 0 HIADMM Cc1ccccc1C[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467209613 880939037 /nfs/dbraw/zinc/93/90/37/880939037.db2.gz XWNZUWQPHOIICM-MRXNPFEDSA-N -1 1 407.539 4.306 20 0 HIADMM Cc1cccc(OCCCNC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000467211525 880940464 /nfs/dbraw/zinc/94/04/64/880940464.db2.gz MONNYKSQKKDTSM-UHFFFAOYSA-N -1 1 423.538 4.143 20 0 HIADMM Cc1c(=O)[n-]c(SCc2csc(CC(=O)OC(C)C)n2)nc1-c1ccccc1 ZINC000467212025 880942223 /nfs/dbraw/zinc/94/22/23/880942223.db2.gz RLHLGSPSRCQXNB-UHFFFAOYSA-N -1 1 415.540 4.401 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)N(Cc2ccccc2)C2CC2)nc1-c1ccccc1 ZINC000467214271 880943806 /nfs/dbraw/zinc/94/38/06/880943806.db2.gz PFBOVAVJXWBMAO-UHFFFAOYSA-N -1 1 405.523 4.441 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cncnc2)cc1 ZINC000469195698 883296782 /nfs/dbraw/zinc/29/67/82/883296782.db2.gz KSKUXXRRDXICCD-UHFFFAOYSA-N -1 1 424.526 4.136 20 0 HIADMM CC(C)(C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCC(O)CC1 ZINC000469513865 883774701 /nfs/dbraw/zinc/77/47/01/883774701.db2.gz OEYJSFMDTQHDBG-UHFFFAOYSA-N -1 1 416.543 4.003 20 0 HIADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000503677388 912784759 /nfs/dbraw/zinc/78/47/59/912784759.db2.gz BCHQVXXWLCBCMS-UHFFFAOYSA-N -1 1 406.361 4.297 20 0 HIADMM Cc1ccc([C@H](NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c2cccs2)cc1 ZINC000470450445 884846386 /nfs/dbraw/zinc/84/63/86/884846386.db2.gz ZXZGQBUNMHQCAU-FQEVSTJZSA-N -1 1 411.552 4.427 20 0 HIADMM C[C@H](CCC1CC1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000470573677 884990807 /nfs/dbraw/zinc/99/08/07/884990807.db2.gz HTSPWUPEWPUTRW-CYBMUJFWSA-N -1 1 408.470 4.074 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](Oc4ccc(Cl)c(Cl)c4)C3)cnc2n1 ZINC000470859424 885351146 /nfs/dbraw/zinc/35/11/46/885351146.db2.gz NARXHSVAPBMENZ-ZDUSSCGKSA-N -1 1 418.280 4.244 20 0 HIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H](Oc3ccc(Cl)c(Cl)c3)C1)c2=O ZINC000470859424 885351162 /nfs/dbraw/zinc/35/11/62/885351162.db2.gz NARXHSVAPBMENZ-ZDUSSCGKSA-N -1 1 418.280 4.244 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000470856889 885352357 /nfs/dbraw/zinc/35/23/57/885352357.db2.gz CHSNMRDAJHOJIB-HOTGVXAUSA-N -1 1 420.481 4.028 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)cc1 ZINC000504039685 912948547 /nfs/dbraw/zinc/94/85/47/912948547.db2.gz BSMWTACERMUIMN-UHFFFAOYSA-N -1 1 404.822 4.091 20 0 HIADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)c1 ZINC000471107513 885642943 /nfs/dbraw/zinc/64/29/43/885642943.db2.gz IJXAOJFAAZBFOK-UHFFFAOYSA-N -1 1 417.508 4.073 20 0 HIADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(C)C)sc3c2)c1 ZINC000471123868 885661222 /nfs/dbraw/zinc/66/12/22/885661222.db2.gz IDNPJDRQIHXYOF-UHFFFAOYSA-N -1 1 424.569 4.014 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)N(C)CC4)cc2)c1 ZINC000471213874 885788621 /nfs/dbraw/zinc/78/86/21/885788621.db2.gz XGXYYMVZCVTMJY-UHFFFAOYSA-N -1 1 422.506 4.216 20 0 HIADMM COCCC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000471234215 885809633 /nfs/dbraw/zinc/80/96/33/885809633.db2.gz HJHBYIZQGFQSCL-UHFFFAOYSA-N -1 1 402.516 4.023 20 0 HIADMM CC(C)(C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(F)F ZINC000471554453 886263274 /nfs/dbraw/zinc/26/32/74/886263274.db2.gz HQJODAGDANLFQV-UHFFFAOYSA-N -1 1 402.850 4.371 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)CC3(C)C)cc2)ccc1F ZINC000471698236 886405891 /nfs/dbraw/zinc/40/58/91/886405891.db2.gz OXGOGIOXNOUKPW-CQSZACIVSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccn(C2CCCCC2)n1 ZINC000471745547 886472568 /nfs/dbraw/zinc/47/25/68/886472568.db2.gz BLCJPVKPDIJOFT-UHFFFAOYSA-N -1 1 424.526 4.441 20 0 HIADMM Cc1nc2cc(C(=O)Nc3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)ccc2o1 ZINC000471749396 886478356 /nfs/dbraw/zinc/47/83/56/886478356.db2.gz KQPONBCHAILCTR-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c1 ZINC000471905294 886688177 /nfs/dbraw/zinc/68/81/77/886688177.db2.gz AXYXGWCCRYFZPI-UHFFFAOYSA-N -1 1 414.458 4.092 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000471999679 886825411 /nfs/dbraw/zinc/82/54/11/886825411.db2.gz UTXRPMOUCIBYBP-UHFFFAOYSA-N -1 1 400.544 4.472 20 0 HIADMM Cc1ccc(NC(=O)c2ccncc2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000472221560 887024685 /nfs/dbraw/zinc/02/46/85/887024685.db2.gz LNRDDIDWZSWWBX-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)[nH]n2)c1 ZINC000472419958 887268197 /nfs/dbraw/zinc/26/81/97/887268197.db2.gz CJQXMUUUVGDYCU-UHFFFAOYSA-N -1 1 418.478 4.213 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CCCC2(CC2)C1 ZINC000472753578 887599257 /nfs/dbraw/zinc/59/92/57/887599257.db2.gz OYVAFKTWKGVYAV-UHFFFAOYSA-N -1 1 404.919 4.157 20 0 HIADMM Cc1ccc(C(=O)N2CCCC3(CCC3)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000473318919 888062653 /nfs/dbraw/zinc/06/26/53/888062653.db2.gz KVCMXUDBPONDFW-UHFFFAOYSA-N -1 1 416.518 4.341 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCCC2(CCC2)C1 ZINC000473331053 888068723 /nfs/dbraw/zinc/06/87/23/888068723.db2.gz UJUHTBIALXAJNH-UHFFFAOYSA-N -1 1 420.481 4.172 20 0 HIADMM C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1)C(=O)[O-] ZINC000473445808 888169581 /nfs/dbraw/zinc/16/95/81/888169581.db2.gz WUHDAGJQRGXXTE-SECBINFHSA-N -1 1 406.262 4.197 20 0 HIADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)c1 ZINC000473484037 888205141 /nfs/dbraw/zinc/20/51/41/888205141.db2.gz YYMRTFVODBRTLR-UHFFFAOYSA-N -1 1 414.483 4.244 20 0 HIADMM CC(C)(C)c1ncsc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000473657164 888407316 /nfs/dbraw/zinc/40/73/16/888407316.db2.gz DMWINUROHHRONY-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM O=S(=O)([N-]Cc1nc2ccccc2n1C1CC1)c1ccc(Cl)c(F)c1Cl ZINC000473934158 888813458 /nfs/dbraw/zinc/81/34/58/888813458.db2.gz VKLWKVSHABQLBL-UHFFFAOYSA-N -1 1 414.289 4.296 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473952055 888826147 /nfs/dbraw/zinc/82/61/47/888826147.db2.gz VGUKVHVTWUYBER-JSGCOSHPSA-N -1 1 422.280 4.470 20 0 HIADMM Cc1csc(C2([N-]S(=O)(=O)c3c(Cl)cccc3C(F)(F)F)CCC2)n1 ZINC000474121939 888942395 /nfs/dbraw/zinc/94/23/95/888942395.db2.gz JJTKOVQXFWZYFI-UHFFFAOYSA-N -1 1 410.870 4.481 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1NC(N)=O ZINC000474313884 889178439 /nfs/dbraw/zinc/17/84/39/889178439.db2.gz RRCOVSQHSUVRLY-UHFFFAOYSA-N -1 1 403.504 4.034 20 0 HIADMM Cc1ccc(NC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000474346395 889222637 /nfs/dbraw/zinc/22/26/37/889222637.db2.gz DEWNUOKVDXWKSH-UHFFFAOYSA-N -1 1 413.474 4.257 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc(F)cc1 ZINC000474357744 889235298 /nfs/dbraw/zinc/23/52/98/889235298.db2.gz VUXYLWKFDMKJRE-UHFFFAOYSA-N -1 1 417.437 4.087 20 0 HIADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1ccc(F)cc1Br ZINC000474433025 889297385 /nfs/dbraw/zinc/29/73/85/889297385.db2.gz MJLJTZPOALNYRT-UHFFFAOYSA-N -1 1 402.289 4.160 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000474492513 889353790 /nfs/dbraw/zinc/35/37/90/889353790.db2.gz GJSLEYOIWUHZHP-UHFFFAOYSA-N -1 1 420.351 4.258 20 0 HIADMM C[C@H](C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccs1 ZINC000474534392 889407282 /nfs/dbraw/zinc/40/72/82/889407282.db2.gz MSUXLNRQTOOOCH-AWEZNQCLSA-N -1 1 418.515 4.108 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc2[nH]ccc2c1 ZINC000474543159 889419131 /nfs/dbraw/zinc/41/91/31/889419131.db2.gz RZJCYDODVPNWGH-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000474614408 889478867 /nfs/dbraw/zinc/47/88/67/889478867.db2.gz PXNZJBHJYDTHPW-UHFFFAOYSA-N -1 1 415.497 4.261 20 0 HIADMM O=C(Cc1ccc(O)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000474653290 889516967 /nfs/dbraw/zinc/51/69/67/889516967.db2.gz HLWUWDCHNUQLKY-UHFFFAOYSA-N -1 1 416.886 4.028 20 0 HIADMM CC(C)(C)OCc1cc(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)no1 ZINC000474855135 889710922 /nfs/dbraw/zinc/71/09/22/889710922.db2.gz SIIZPYLAIAHWDZ-UHFFFAOYSA-N -1 1 409.368 4.046 20 0 HIADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000474895741 889754057 /nfs/dbraw/zinc/75/40/57/889754057.db2.gz IHGNLFPMTVFDSU-VQIMIIECSA-N -1 1 402.516 4.021 20 0 HIADMM CCCN(C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@H](CC)c1ccccc1 ZINC000475372224 890302186 /nfs/dbraw/zinc/30/21/86/890302186.db2.gz UBOWJZHIANSYIB-LJQANCHMSA-N -1 1 419.547 4.462 20 0 HIADMM COc1ccc(NC(=O)N(C)[C@H](c2ccccc2C)C(C)C)cc1[N-]S(C)(=O)=O ZINC000475377859 890307974 /nfs/dbraw/zinc/30/79/74/890307974.db2.gz QWZAUWYVHMINJR-FQEVSTJZSA-N -1 1 419.547 4.236 20 0 HIADMM COc1ccc(NC(=O)Nc2ccc(OCCC(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000475391798 890318921 /nfs/dbraw/zinc/31/89/21/890318921.db2.gz PPTYWASSVCJASU-UHFFFAOYSA-N -1 1 421.519 4.136 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1[N-]S(C)(=O)=O ZINC000475397643 890326370 /nfs/dbraw/zinc/32/63/70/890326370.db2.gz XDUIOUOLZUEYLV-QGZVFWFLSA-N -1 1 423.922 4.089 20 0 HIADMM O=C(NC[C@H]1CCCC(F)(F)C1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000504730051 913467545 /nfs/dbraw/zinc/46/75/45/913467545.db2.gz IMDPGYHDLMEKJI-HNNXBMFYSA-N -1 1 423.485 4.434 20 0 HIADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000475655063 890599708 /nfs/dbraw/zinc/59/97/08/890599708.db2.gz XJGPZVAYOPOFLO-RBUKOAKNSA-N -1 1 418.584 4.234 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)c2ccccc12 ZINC000475741917 890684541 /nfs/dbraw/zinc/68/45/41/890684541.db2.gz JXBFHTKEXMQZSW-UHFFFAOYSA-N -1 1 408.483 4.126 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)c(Br)c1 ZINC000475814425 890749207 /nfs/dbraw/zinc/74/92/07/890749207.db2.gz PWONISSQGVRNAF-UHFFFAOYSA-N -1 1 416.362 4.164 20 0 HIADMM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1Cl ZINC000475821506 890755214 /nfs/dbraw/zinc/75/52/14/890755214.db2.gz ZDXRWELFGNHVHI-UHFFFAOYSA-N -1 1 421.927 4.211 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3cc(-c4ccc(C)o4)ccc3C)cc2oc1=O ZINC000475828073 890763092 /nfs/dbraw/zinc/76/30/92/890763092.db2.gz JMFNTAOLCFTKBL-UHFFFAOYSA-N -1 1 412.467 4.292 20 0 HIADMM CC(C)(C)C1CC(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000504750268 913489197 /nfs/dbraw/zinc/48/91/97/913489197.db2.gz ZNDUOPRYMZFPND-UHFFFAOYSA-N -1 1 418.534 4.110 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCCc2c(O)cccc21 ZINC000476029012 890959909 /nfs/dbraw/zinc/95/99/09/890959909.db2.gz DBVYYTCPDUIPEG-NRFANRHFSA-N -1 1 422.506 4.252 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000476164780 891094146 /nfs/dbraw/zinc/09/41/46/891094146.db2.gz RKLXXZZNWOPZRB-LJQANCHMSA-N -1 1 424.497 4.256 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000476184959 891118219 /nfs/dbraw/zinc/11/82/19/891118219.db2.gz WKCDPNQZUHSNGO-FQEVSTJZSA-N -1 1 406.507 4.117 20 0 HIADMM COc1cc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1Br ZINC000476245033 891168721 /nfs/dbraw/zinc/16/87/21/891168721.db2.gz DSGGGPLMYVVFPV-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)ccc1Br ZINC000476251277 891175574 /nfs/dbraw/zinc/17/55/74/891175574.db2.gz PJVOROXKMBXQFR-UHFFFAOYSA-N -1 1 413.318 4.177 20 0 HIADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000476401953 891318676 /nfs/dbraw/zinc/31/86/76/891318676.db2.gz QNRGMRBESDFAHU-UHFFFAOYSA-N -1 1 410.318 4.077 20 0 HIADMM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000476429091 891340055 /nfs/dbraw/zinc/34/00/55/891340055.db2.gz FOCQHFYCFKJWCH-UHFFFAOYSA-N -1 1 417.842 4.420 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1c1ccncc1 ZINC000476532477 891444844 /nfs/dbraw/zinc/44/48/44/891444844.db2.gz IEOAWPSIRZFSTI-NRFANRHFSA-N -1 1 421.522 4.106 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)cc1 ZINC000476578575 891502185 /nfs/dbraw/zinc/50/21/85/891502185.db2.gz ZBMVUHRFMLACNU-BPQIPLTHSA-N -1 1 400.544 4.302 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc(-c2ccccc2C)cs1 ZINC000476813454 891800311 /nfs/dbraw/zinc/80/03/11/891800311.db2.gz DJGRMYQAQGXMDU-UHFFFAOYSA-N -1 1 401.513 4.132 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCc2c(cccc2C(C)C)C1 ZINC000476814642 891800652 /nfs/dbraw/zinc/80/06/52/891800652.db2.gz GPJNZCMTVKSFLV-UHFFFAOYSA-N -1 1 416.525 4.194 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC[C@H](C)C3)c2)cc1 ZINC000476817070 891803153 /nfs/dbraw/zinc/80/31/53/891803153.db2.gz ATPYIIMUEPXWPN-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc2ncccc2c1 ZINC000476935447 891878731 /nfs/dbraw/zinc/87/87/31/891878731.db2.gz ZGZMWQSEPOCQHV-UHFFFAOYSA-N -1 1 404.495 4.235 20 0 HIADMM O=c1nc(CN2CCC[C@@]3(CCCOC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000477073178 892006054 /nfs/dbraw/zinc/00/60/54/892006054.db2.gz XIVYHRGCTRKYBA-JOCHJYFZSA-N -1 1 413.518 4.183 20 0 HIADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)C1CC1 ZINC000477226310 892163311 /nfs/dbraw/zinc/16/33/11/892163311.db2.gz BUQINTBUULTWIB-LBPRGKRZSA-N -1 1 412.433 4.491 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)ccc1F ZINC000477323726 892288873 /nfs/dbraw/zinc/28/88/73/892288873.db2.gz QKLNCQYGLWPGSA-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000477625978 892739241 /nfs/dbraw/zinc/73/92/41/892739241.db2.gz LNJRQNPRVMXVPQ-UHFFFAOYSA-N -1 1 412.493 4.213 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc3c2CCO3)c1 ZINC000477749937 892842198 /nfs/dbraw/zinc/84/21/98/892842198.db2.gz LHHBMQKLVBQUKM-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cnccc3C)cc2)cc1C ZINC000477901833 892971752 /nfs/dbraw/zinc/97/17/52/892971752.db2.gz JOOSMSPDRAFIGU-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000477926812 893014142 /nfs/dbraw/zinc/01/41/42/893014142.db2.gz XZBUYVJXXBXFNM-UHFFFAOYSA-N -1 1 405.829 4.456 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(CCc3ccccc3)no2)cc1)c1ccc(F)cc1 ZINC000505007555 913750949 /nfs/dbraw/zinc/75/09/49/913750949.db2.gz ANIYOBPVGSEWMJ-UHFFFAOYSA-N -1 1 423.469 4.462 20 0 HIADMM Cc1cccc2[nH]cc(CC(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)c21 ZINC000505014309 913757549 /nfs/dbraw/zinc/75/75/49/913757549.db2.gz OYGIGYKCHOAEPA-UHFFFAOYSA-N -1 1 419.506 4.458 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)[C@H]1CCC(C)(C)C1 ZINC000478225138 893386230 /nfs/dbraw/zinc/38/62/30/893386230.db2.gz BCMUXEPEOCMBAW-INIZCTEOSA-N -1 1 422.497 4.416 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478228448 893390432 /nfs/dbraw/zinc/39/04/32/893390432.db2.gz NEOXCKFBGHMTTL-FXAWDEMLSA-N -1 1 420.488 4.077 20 0 HIADMM Cc1ccc(C(=O)Nc2cccc3c[nH]nc32)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000478272399 893467911 /nfs/dbraw/zinc/46/79/11/893467911.db2.gz HKTPEQMIUJYOSE-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000478281412 893484159 /nfs/dbraw/zinc/48/41/59/893484159.db2.gz FZTMPJJVVKFNJK-KUHUBIRLSA-N -1 1 418.497 4.003 20 0 HIADMM CCOC(=O)Cc1nnc([N-]C(=O)c2cc3sc4ccccc4c3s2)s1 ZINC000505084696 913810379 /nfs/dbraw/zinc/81/03/79/913810379.db2.gz BZDGNEPWEGLPGH-UHFFFAOYSA-N -1 1 403.510 4.325 20 0 HIADMM C[C@@H](CN(C)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)c1nn[n-]n1 ZINC000478580087 893858591 /nfs/dbraw/zinc/85/85/91/893858591.db2.gz KTKJWKOQXKWUDE-NSHDSACASA-N -1 1 406.273 4.175 20 0 HIADMM C[C@H](CN(C)C(=O)c1ccccc1Oc1ccc(Cl)cc1Cl)c1nn[n-]n1 ZINC000478588812 893862684 /nfs/dbraw/zinc/86/26/84/893862684.db2.gz SSGVPPPTWVUGBU-LLVKDONJSA-N -1 1 406.273 4.175 20 0 HIADMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1F ZINC000478704384 893967740 /nfs/dbraw/zinc/96/77/40/893967740.db2.gz QLFSHNOCBMYWAC-UHFFFAOYSA-N -1 1 410.225 4.167 20 0 HIADMM CCSc1ccc([C@@H](C)NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000505140881 913837876 /nfs/dbraw/zinc/83/78/76/913837876.db2.gz FMYAPZWBHBTNEH-CQSZACIVSA-N -1 1 408.527 4.085 20 0 HIADMM CN(Cc1ccccc1)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478916240 894197573 /nfs/dbraw/zinc/19/75/73/894197573.db2.gz RIRNYHCSXSSPTR-UHFFFAOYSA-N -1 1 423.538 4.171 20 0 HIADMM Cc1cccc(O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000479117124 894386394 /nfs/dbraw/zinc/38/63/94/894386394.db2.gz DLTCXTCDTXHDHS-QGZVFWFLSA-N -1 1 410.495 4.202 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc2cc(F)ccc2[nH]1 ZINC000479119108 894386999 /nfs/dbraw/zinc/38/69/99/894386999.db2.gz NGYOEAYGWAPESR-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cncc2ccccc21 ZINC000479144276 894414816 /nfs/dbraw/zinc/41/48/16/894414816.db2.gz INHLOHNGMKKEBZ-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CCOc1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc(Cl)c1[O-] ZINC000479274469 894548967 /nfs/dbraw/zinc/54/89/67/894548967.db2.gz GFAAHFUYKQVDLY-QGZVFWFLSA-N -1 1 414.260 4.451 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C)[C@@H]3CC)cc2)cc1 ZINC000479406621 894712273 /nfs/dbraw/zinc/71/22/73/894712273.db2.gz JHRNXNFHISKOHX-IERDGZPVSA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000479421522 894733336 /nfs/dbraw/zinc/73/33/36/894733336.db2.gz YBTDOWRMZJHSAE-BFUOFWGJSA-N -1 1 408.470 4.026 20 0 HIADMM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000479519174 894829810 /nfs/dbraw/zinc/82/98/10/894829810.db2.gz SVCVWDQIDWEKQK-UHFFFAOYSA-N -1 1 408.278 4.349 20 0 HIADMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(NC(=O)c4ccncc4)cc3)cc2c1C ZINC000479528770 894836550 /nfs/dbraw/zinc/83/65/50/894836550.db2.gz KDCHLXINLGCDPU-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(C)(C)C)c2O)c(C)c1CC(=O)[O-] ZINC000479537931 894842365 /nfs/dbraw/zinc/84/23/65/894842365.db2.gz HWYBMCZWWLKNMX-UHFFFAOYSA-N -1 1 405.516 4.043 20 0 HIADMM O=S(=O)([N-]c1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cccc2ncccc21 ZINC000479548577 894849139 /nfs/dbraw/zinc/84/91/39/894849139.db2.gz WXRIPEUORDKXON-UHFFFAOYSA-N -1 1 418.400 4.240 20 0 HIADMM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000479928109 895275841 /nfs/dbraw/zinc/27/58/41/895275841.db2.gz RQORHVDHBHNYNC-TVQRCGJNSA-N -1 1 424.769 4.219 20 0 HIADMM Cc1nc2nc(S(=O)(=O)[C@@H](C)c3cccc(Cl)c3)[n-]c2cc1Br ZINC000480006843 895358705 /nfs/dbraw/zinc/35/87/05/895358705.db2.gz AIHMLEIMFNXDDP-VIFPVBQESA-N -1 1 414.712 4.217 20 0 HIADMM Cc1[n-]c2nc(S(=O)(=O)[C@@H](C)c3cccc(Cl)c3)nc-2cc1Br ZINC000480006843 895358743 /nfs/dbraw/zinc/35/87/43/895358743.db2.gz AIHMLEIMFNXDDP-VIFPVBQESA-N -1 1 414.712 4.217 20 0 HIADMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)sn1 ZINC000480084888 895445967 /nfs/dbraw/zinc/44/59/67/895445967.db2.gz KQHLTYOJZWGZIA-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)sn1 ZINC000480110911 895482706 /nfs/dbraw/zinc/48/27/06/895482706.db2.gz RIJMGASKQONMPX-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cc(F)ccc1Br ZINC000480123149 895498643 /nfs/dbraw/zinc/49/86/43/895498643.db2.gz LSIUXTQHOLWLDI-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM CC[C@@H](C)CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000480176550 895569256 /nfs/dbraw/zinc/56/92/56/895569256.db2.gz FULHPDSRSUHRIY-MRXNPFEDSA-N -1 1 404.532 4.004 20 0 HIADMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480183656 895578876 /nfs/dbraw/zinc/57/88/76/895578876.db2.gz SBHREPZETQQOEP-UHFFFAOYSA-N -1 1 414.449 4.039 20 0 HIADMM Cc1ccc(NC(=O)CCOCc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000480440437 895830533 /nfs/dbraw/zinc/83/05/33/895830533.db2.gz VGGVLFQIOIHBTL-UHFFFAOYSA-N -1 1 424.522 4.341 20 0 HIADMM COc1cccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000480568846 895929429 /nfs/dbraw/zinc/92/94/29/895929429.db2.gz VPMUWDCIVVRURW-UHFFFAOYSA-N -1 1 424.522 4.376 20 0 HIADMM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1c(Cl)cccc1C(F)(F)F ZINC000480752060 896113457 /nfs/dbraw/zinc/11/34/57/896113457.db2.gz WTLVEJSJGKFKRD-UHFFFAOYSA-N -1 1 400.809 4.386 20 0 HIADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000480992459 896324899 /nfs/dbraw/zinc/32/48/99/896324899.db2.gz OZFJVQBYNCRIEV-PMACEKPBSA-N -1 1 418.584 4.200 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC[C@H]3C(F)F)c2)c1 ZINC000505406822 914071929 /nfs/dbraw/zinc/07/19/29/914071929.db2.gz ZBDHIVLQMVJFDW-SFHVURJKSA-N -1 1 422.497 4.364 20 0 HIADMM O=C(N[C@H]1CCCc2c(O)cccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000481186797 896532757 /nfs/dbraw/zinc/53/27/57/896532757.db2.gz FKTZXLRYYHKFHC-NRFANRHFSA-N -1 1 422.506 4.000 20 0 HIADMM O=S(=O)([N-][C@H]1CC[C@H](c2cccc(F)c2)C1)c1sccc1Br ZINC000481259344 896609480 /nfs/dbraw/zinc/60/94/80/896609480.db2.gz ZTDVZMQTKCYNBG-AAEUAGOBSA-N -1 1 404.326 4.264 20 0 HIADMM C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000481485293 896867300 /nfs/dbraw/zinc/86/73/00/896867300.db2.gz XWXBSDSSELWKRX-YVEFUNNKSA-N -1 1 401.388 4.165 20 0 HIADMM O=S(=O)([N-][C@@H]1CC[C@H](c2ccccc2F)C1)c1sccc1Br ZINC000481563516 896939466 /nfs/dbraw/zinc/93/94/66/896939466.db2.gz NZFVJXGSZCWMRH-WDEREUQCSA-N -1 1 404.326 4.264 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1ccccc1Br)c1nc(C)cs1 ZINC000505452010 914119652 /nfs/dbraw/zinc/11/96/52/914119652.db2.gz VWLJWYYVMUWROY-AWEZNQCLSA-N -1 1 414.346 4.222 20 0 HIADMM COc1ccc(-c2ccc([N-]S(=O)(=O)Cc3ccccc3F)nc2)cc1Cl ZINC000481845352 897212401 /nfs/dbraw/zinc/21/24/01/897212401.db2.gz IALWKZRTLZIKQX-UHFFFAOYSA-N -1 1 406.866 4.492 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1Cl ZINC000481956350 897345135 /nfs/dbraw/zinc/34/51/35/897345135.db2.gz BQAOSYDTTDDOFP-UHFFFAOYSA-N -1 1 406.895 4.030 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482363956 897882273 /nfs/dbraw/zinc/88/22/73/897882273.db2.gz JFMUUQCAVMERHV-OAQYLSRUSA-N -1 1 420.488 4.378 20 0 HIADMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000482396730 897933114 /nfs/dbraw/zinc/93/31/14/897933114.db2.gz BMTXZUNDVUUYLJ-UHFFFAOYSA-N -1 1 411.874 4.393 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c1 ZINC000482557833 898149395 /nfs/dbraw/zinc/14/93/95/898149395.db2.gz SBDWABKLPMZJQL-UHFFFAOYSA-N -1 1 419.319 4.330 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccccc2COC2CCOCC2)c1 ZINC000482601521 898202597 /nfs/dbraw/zinc/20/25/97/898202597.db2.gz IZTBHJIKXKCOAM-UHFFFAOYSA-N -1 1 420.303 4.411 20 0 HIADMM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000482601696 898203224 /nfs/dbraw/zinc/20/32/24/898203224.db2.gz HDPQKEGSZFWPFM-SNVBAGLBSA-N -1 1 408.405 4.353 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000482636209 898240535 /nfs/dbraw/zinc/24/05/35/898240535.db2.gz IBVZANKKVOXIDR-HNNXBMFYSA-N -1 1 406.276 4.273 20 0 HIADMM COc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])ccc1OC(F)F ZINC000482637064 898240845 /nfs/dbraw/zinc/24/08/45/898240845.db2.gz JLMIWXNLMFDWRC-UHFFFAOYSA-N -1 1 402.191 4.325 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)c1 ZINC000482644223 898248145 /nfs/dbraw/zinc/24/81/45/898248145.db2.gz XGSGRUFYZAZSGB-SFHVURJKSA-N -1 1 417.303 4.155 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 ZINC000482715945 898316058 /nfs/dbraw/zinc/31/60/58/898316058.db2.gz ZPXFWIUIJPHCQJ-HIFRSBDPSA-N -1 1 417.303 4.011 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 ZINC000482715943 898316693 /nfs/dbraw/zinc/31/66/93/898316693.db2.gz ZPXFWIUIJPHCQJ-DZGCQCFKSA-N -1 1 417.303 4.011 20 0 HIADMM CCCCn1ncc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1C(C)C ZINC000482719267 898319634 /nfs/dbraw/zinc/31/96/34/898319634.db2.gz ZTEFKZIEPPPNJT-UHFFFAOYSA-N -1 1 422.533 4.244 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000482723959 898325264 /nfs/dbraw/zinc/32/52/64/898325264.db2.gz ODJZZZJQZSEMCX-UHFFFAOYSA-N -1 1 408.277 4.146 20 0 HIADMM CC[C@@H](C)n1ncc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1C ZINC000482759893 898367182 /nfs/dbraw/zinc/36/71/82/898367182.db2.gz MLPGDRJZDKBPCC-OAHLLOKOSA-N -1 1 412.515 4.216 20 0 HIADMM COc1cc(C(=O)N(C)Cc2ccc(F)cc2Br)cc(Cl)c1[O-] ZINC000482770888 898378505 /nfs/dbraw/zinc/37/85/05/898378505.db2.gz LZPWLJHNOZMSLM-UHFFFAOYSA-N -1 1 402.647 4.228 20 0 HIADMM CCc1ccnc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)c1 ZINC000482779992 898386984 /nfs/dbraw/zinc/38/69/84/898386984.db2.gz HPJHQYZRJGFQRA-UHFFFAOYSA-N -1 1 406.467 4.162 20 0 HIADMM CC1=C(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000482894251 898513116 /nfs/dbraw/zinc/51/31/16/898513116.db2.gz ISYLMJPWPWBHEA-UHFFFAOYSA-N -1 1 404.919 4.323 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCSCC[C@@H]3C)cc2)cc1C ZINC000482953426 898582296 /nfs/dbraw/zinc/58/22/96/898582296.db2.gz YSIADDZPCWSVNG-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1 ZINC000483165987 898836035 /nfs/dbraw/zinc/83/60/35/898836035.db2.gz UJYKKDZSDBMVGY-UHFFFAOYSA-N -1 1 421.584 4.297 20 0 HIADMM CCC1CCC(N(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C2CC2)CC1 ZINC000483232518 898876163 /nfs/dbraw/zinc/87/61/63/898876163.db2.gz KBKYXZQHIJHEIQ-UHFFFAOYSA-N -1 1 409.552 4.032 20 0 HIADMM COc1ccc([C@H](C)N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000483250120 898891676 /nfs/dbraw/zinc/89/16/76/898891676.db2.gz AHRRDATYLBOWAE-KRWDZBQOSA-N -1 1 424.522 4.329 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@@H]2CCC[C@H](C)C2)c1 ZINC000483302127 898934357 /nfs/dbraw/zinc/93/43/57/898934357.db2.gz WPKUYFXHKIDRMS-KBXCAEBGSA-N -1 1 404.507 4.243 20 0 HIADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000483704565 899360248 /nfs/dbraw/zinc/36/02/48/899360248.db2.gz WRZQTBDNZRAORK-AUUYWEPGSA-N -1 1 404.507 4.196 20 0 HIADMM CCc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cnn1-c1ccccc1Cl ZINC000483826062 899505364 /nfs/dbraw/zinc/50/53/64/899505364.db2.gz VUTSOZMNMWXQRL-UHFFFAOYSA-N -1 1 407.861 4.436 20 0 HIADMM CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(OC)cc1 ZINC000483960970 899608097 /nfs/dbraw/zinc/60/80/97/899608097.db2.gz VRMJNRMTEKGNGX-KRWDZBQOSA-N -1 1 422.547 4.026 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2csc3ccccc23)cc1C(F)(F)F ZINC000484119686 899742282 /nfs/dbraw/zinc/74/22/82/899742282.db2.gz UYDPRKPIOYWMLO-UHFFFAOYSA-N -1 1 401.387 4.419 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3Nc3ccc(F)cc3F)ccc2N1 ZINC000484127382 899748881 /nfs/dbraw/zinc/74/88/81/899748881.db2.gz COCSFILIDFYWGG-UHFFFAOYSA-N -1 1 415.421 4.004 20 0 HIADMM CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000484224886 899821881 /nfs/dbraw/zinc/82/18/81/899821881.db2.gz WIRJLRMNKUYIEZ-UHFFFAOYSA-N -1 1 421.368 4.131 20 0 HIADMM O=C([N-]c1sc2c(c1C(=O)c1ccncc1)CCC2)c1cc(-c2ccccn2)no1 ZINC000484311012 899870077 /nfs/dbraw/zinc/87/00/77/899870077.db2.gz JLGSVZQYZBUJSK-UHFFFAOYSA-N -1 1 416.462 4.165 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2ccccc2-c2ccno2)c(SCCC(=O)[O-])c1 ZINC000484495312 899986076 /nfs/dbraw/zinc/98/60/76/899986076.db2.gz AUTXHODNKWDZAK-UHFFFAOYSA-N -1 1 418.496 4.018 20 0 HIADMM COCCSc1ccc([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000484592173 900055958 /nfs/dbraw/zinc/05/59/58/900055958.db2.gz NGOXPGGNKCJJNE-GFCCVEGCSA-N -1 1 410.333 4.384 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(Cl)c1 ZINC000484687787 900124918 /nfs/dbraw/zinc/12/49/18/900124918.db2.gz GFSOFFZVIXSJCQ-UHFFFAOYSA-N -1 1 418.902 4.261 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C(F)F)CC3)ccc2C)c1 ZINC000484758419 900174798 /nfs/dbraw/zinc/17/47/98/900174798.db2.gz UUUIZGBCDYPRCN-UHFFFAOYSA-N -1 1 422.497 4.222 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)OC)c2)cc1 ZINC000485082130 900397773 /nfs/dbraw/zinc/39/77/73/900397773.db2.gz XCKHTPNBKKKZOK-HNNXBMFYSA-N -1 1 407.557 4.407 20 0 HIADMM CCOC(=O)COc1ccc(-c2nc3scc(C(C)C)c3c(=O)[n-]2)cc1OC ZINC000485165032 900464530 /nfs/dbraw/zinc/46/45/30/900464530.db2.gz FBNSEMAXODFGML-UHFFFAOYSA-N -1 1 402.472 4.138 20 0 HIADMM COc1cccc(C2(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)c1 ZINC000505785727 914452387 /nfs/dbraw/zinc/45/23/87/914452387.db2.gz WBIRMHDXQYKSPF-UHFFFAOYSA-N -1 1 422.506 4.166 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)c2ccccc12 ZINC000485254794 900539610 /nfs/dbraw/zinc/53/96/10/900539610.db2.gz QGYYTJVEPPPEHE-UHFFFAOYSA-N -1 1 415.511 4.189 20 0 HIADMM CCOC(=O)Cc1cccc(-c2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)c1 ZINC000485340805 900631012 /nfs/dbraw/zinc/63/10/12/900631012.db2.gz BACTYRULJPVPEL-UHFFFAOYSA-N -1 1 420.490 4.433 20 0 HIADMM COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(Br)c([O-])c3)C2)cc1 ZINC000485410958 900709319 /nfs/dbraw/zinc/70/93/19/900709319.db2.gz RWTDLGNAYXULJI-HNNXBMFYSA-N -1 1 404.304 4.258 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NC[C@@H]2CCC(F)(F)C2)nc1 ZINC000485416336 900714084 /nfs/dbraw/zinc/71/40/84/900714084.db2.gz ONRYZRNEGJLQHH-LLVKDONJSA-N -1 1 403.401 4.008 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1(c2cccnc2)CCCC1 ZINC000485811804 901061349 /nfs/dbraw/zinc/06/13/49/901061349.db2.gz CWHHSDHAFMUUFS-UHFFFAOYSA-N -1 1 421.522 4.333 20 0 HIADMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000485967143 901184147 /nfs/dbraw/zinc/18/41/47/901184147.db2.gz OCXVVXGWAKNQHM-GFCCVEGCSA-N -1 1 405.292 4.069 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)cc1Cl ZINC000485996722 901212370 /nfs/dbraw/zinc/21/23/70/901212370.db2.gz TXSLJWPTQMFLRF-HNNXBMFYSA-N -1 1 424.803 4.019 20 0 HIADMM O=c1c(Cl)c(/C=C\c2cc(F)c([O-])c(F)c2)nc2ccc(Br)cn12 ZINC000486027482 901233364 /nfs/dbraw/zinc/23/33/64/901233364.db2.gz ODYNOHXMHGECFY-IWQZZHSRSA-N -1 1 413.605 4.265 20 0 HIADMM Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486096938 901284373 /nfs/dbraw/zinc/28/43/73/901284373.db2.gz FBEURYIHPADNAM-UHFFFAOYSA-N -1 1 409.769 4.046 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1Cl ZINC000486100461 901288419 /nfs/dbraw/zinc/28/84/19/901288419.db2.gz LUYUUAMOCVHLLT-UHFFFAOYSA-N -1 1 406.891 4.082 20 0 HIADMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486104723 901291425 /nfs/dbraw/zinc/29/14/25/901291425.db2.gz XOCXZAJJMUNINX-UHFFFAOYSA-N -1 1 409.769 4.046 20 0 HIADMM O=c1cc(/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc2nc[n-]n21 ZINC000486121801 901309208 /nfs/dbraw/zinc/30/92/08/901309208.db2.gz CIUGGOVQKKWIKN-DHZHZOJOSA-N -1 1 414.856 4.094 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2C)ccc1C ZINC000486131435 901319340 /nfs/dbraw/zinc/31/93/40/901319340.db2.gz UIFCPRWISVVRJO-UHFFFAOYSA-N -1 1 411.321 4.134 20 0 HIADMM O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000486221751 901403395 /nfs/dbraw/zinc/40/33/95/901403395.db2.gz YDTLQTRHTHZSKN-SMDDNHRTSA-N -1 1 400.194 4.459 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCCOCC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000486365140 901533977 /nfs/dbraw/zinc/53/39/77/901533977.db2.gz CMHIPKSUTZPOKW-OAHLLOKOSA-N -1 1 422.934 4.204 20 0 HIADMM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000486471358 901632798 /nfs/dbraw/zinc/63/27/98/901632798.db2.gz JYTANRTWONLQSI-MRXNPFEDSA-N -1 1 400.276 4.019 20 0 HIADMM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000486471355 901632885 /nfs/dbraw/zinc/63/28/85/901632885.db2.gz JYTANRTWONLQSI-INIZCTEOSA-N -1 1 400.276 4.019 20 0 HIADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)c1 ZINC000486548607 901696326 /nfs/dbraw/zinc/69/63/26/901696326.db2.gz MJUZLRRRXWUXKH-UHFFFAOYSA-N -1 1 405.501 4.013 20 0 HIADMM CCC1(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2OC)CC1 ZINC000486822178 901875221 /nfs/dbraw/zinc/87/52/21/901875221.db2.gz JDSNQEHCRPKOFV-UHFFFAOYSA-N -1 1 408.907 4.278 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000486972751 901999194 /nfs/dbraw/zinc/99/91/94/901999194.db2.gz WEEOLTWEXXTFIX-UHFFFAOYSA-N -1 1 405.245 4.196 20 0 HIADMM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000487111622 902060915 /nfs/dbraw/zinc/06/09/15/902060915.db2.gz JMYJZMSMJOJGQY-VIFPVBQESA-N -1 1 424.147 4.060 20 0 HIADMM COc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000487145513 902074548 /nfs/dbraw/zinc/07/45/48/902074548.db2.gz BPKYUPZWEYZQGX-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM O=S(=O)([N-]c1cccc(F)c1F)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488236206 902712687 /nfs/dbraw/zinc/71/26/87/902712687.db2.gz SNIOCLMPROKRIC-CYBMUJFWSA-N -1 1 417.861 4.367 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000488261073 902733344 /nfs/dbraw/zinc/73/33/44/902733344.db2.gz FPVSZJYUXGWASY-UHFFFAOYSA-N -1 1 414.506 4.174 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(CN(C)Cc2cscn2)c1 ZINC000488652132 902920201 /nfs/dbraw/zinc/92/02/01/902920201.db2.gz YCVSDGPUMSOVNV-UHFFFAOYSA-N -1 1 401.557 4.138 20 0 HIADMM CCc1cccnc1NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000505998894 914669888 /nfs/dbraw/zinc/66/98/88/914669888.db2.gz ZOTYRFGEXAYMSU-UHFFFAOYSA-N -1 1 409.511 4.314 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCC(F)(F)C3)c2)c1 ZINC000488938605 903086944 /nfs/dbraw/zinc/08/69/44/903086944.db2.gz HLFVYDPAQLEPTP-KRWDZBQOSA-N -1 1 408.470 4.104 20 0 HIADMM O=S(=O)([N-]C1CCC(C(F)(F)F)CC1)c1cc(Br)c(F)cc1F ZINC000488968808 903100284 /nfs/dbraw/zinc/10/02/84/903100284.db2.gz GNVQACUQUBKEJR-UHFFFAOYSA-N -1 1 422.213 4.127 20 0 HIADMM CC[C@@H]1CCc2c(sc3nc(-c4cccc(OCC(=O)NC5CC5)c4)[n-]c(=O)c32)C1 ZINC000489184486 903248588 /nfs/dbraw/zinc/24/85/88/903248588.db2.gz LRFKPUSTBWULPM-CYBMUJFWSA-N -1 1 423.538 4.236 20 0 HIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc2)n1 ZINC000489737657 903567741 /nfs/dbraw/zinc/56/77/41/903567741.db2.gz BFHWITWAOQHJSQ-UHFFFAOYSA-N -1 1 407.499 4.183 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc[nH]3)cc2)c1C ZINC000490002988 903719028 /nfs/dbraw/zinc/71/90/28/903719028.db2.gz HGPDYSCWDVGHQY-JOCHJYFZSA-N -1 1 423.538 4.410 20 0 HIADMM O=C(NCc1ccc(Cl)cc1F)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000490094004 903766591 /nfs/dbraw/zinc/76/65/91/903766591.db2.gz KKUHPMGXHNALSA-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([C@H]4C[C@H]4C)[nH]n3)ccc2C)cc1 ZINC000490262103 903860619 /nfs/dbraw/zinc/86/06/19/903860619.db2.gz SSSROVYARDLUOV-QAPCUYQASA-N -1 1 424.526 4.203 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@H](C)c2nc(-c3cccs3)no2)nc1-c1ccccc1 ZINC000490417198 903996901 /nfs/dbraw/zinc/99/69/01/903996901.db2.gz NQYPNIKHDDBSIW-GFCCVEGCSA-N -1 1 400.485 4.032 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@@H]1OCCc2sccc21 ZINC000490614422 904137406 /nfs/dbraw/zinc/13/74/06/904137406.db2.gz BBRFFLCXPZPHRZ-CLAHSXSESA-N -1 1 410.319 4.175 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1OCCc2sccc21 ZINC000490614425 904137508 /nfs/dbraw/zinc/13/75/08/904137508.db2.gz BBRFFLCXPZPHRZ-XLKFXECMSA-N -1 1 410.319 4.175 20 0 HIADMM CC1(C)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000492509481 904860814 /nfs/dbraw/zinc/86/08/14/904860814.db2.gz LSTPHZFKTJUHCZ-INIZCTEOSA-N -1 1 412.433 4.035 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)ccc1F ZINC000493231719 905057704 /nfs/dbraw/zinc/05/77/04/905057704.db2.gz BIAWCEPIGIOETH-UHFFFAOYSA-N -1 1 424.457 4.128 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000494236783 905564405 /nfs/dbraw/zinc/56/44/05/905564405.db2.gz GJNCLJMKBSJNPS-AWEZNQCLSA-N -1 1 406.486 4.466 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)cc2s1 ZINC000494572197 905842436 /nfs/dbraw/zinc/84/24/36/905842436.db2.gz WEIMKVXZIKZSGQ-UHFFFAOYSA-N -1 1 402.419 4.347 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1Cl ZINC000494652532 905885317 /nfs/dbraw/zinc/88/53/17/905885317.db2.gz XSHNRGIIEMYMLQ-UHFFFAOYSA-N -1 1 422.812 4.040 20 0 HIADMM CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ncc(C)cc2[O-])c1 ZINC000494920670 906094635 /nfs/dbraw/zinc/09/46/35/906094635.db2.gz HFFWYJZEKZGFRY-QGZVFWFLSA-N -1 1 403.482 4.458 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1ccc(Br)cc1)c1nc(C)cs1 ZINC000495383951 906418053 /nfs/dbraw/zinc/41/80/53/906418053.db2.gz BHGJQOUNSZLLTE-AWEZNQCLSA-N -1 1 414.346 4.222 20 0 HIADMM Cc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)cs1 ZINC000495451293 906457499 /nfs/dbraw/zinc/45/74/99/906457499.db2.gz DMVVGWVBSNSHEQ-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Clc1ccc(-c2nnc(SCc3nn[n-]n3)n2-c2ccc(Cl)cc2)cc1 ZINC000497358251 906850630 /nfs/dbraw/zinc/85/06/30/906850630.db2.gz ONPMQLBHGDWNKG-UHFFFAOYSA-N -1 1 404.286 4.047 20 0 HIADMM C[C@@H](NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1)c1cccc2ccccc21 ZINC000497451229 906925370 /nfs/dbraw/zinc/92/53/70/906925370.db2.gz IWRMMZSPCLNZDO-OAHLLOKOSA-N -1 1 423.538 4.187 20 0 HIADMM C[C@@H](NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1)c1cccc2ccccc21 ZINC000497451229 906925378 /nfs/dbraw/zinc/92/53/78/906925378.db2.gz IWRMMZSPCLNZDO-OAHLLOKOSA-N -1 1 423.538 4.187 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc4[nH]ncc43)ccc2C)c1 ZINC000512661294 921278944 /nfs/dbraw/zinc/27/89/44/921278944.db2.gz QYSANDFMSSBWHP-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000512795111 921312645 /nfs/dbraw/zinc/31/26/45/921312645.db2.gz ODZCGQKXSYMJPE-CQSZACIVSA-N -1 1 410.495 4.408 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC(C)(C)c2ccc(F)cc2Cl)c(=O)[n-]1 ZINC000497915114 907386511 /nfs/dbraw/zinc/38/65/11/907386511.db2.gz CRZSYMKYZQHCAH-UHFFFAOYSA-N -1 1 411.930 4.032 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(F)cc1Br ZINC000497960204 907429547 /nfs/dbraw/zinc/42/95/47/907429547.db2.gz RHYKZNURXVPDSR-UHFFFAOYSA-N -1 1 400.269 4.178 20 0 HIADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498200344 907732748 /nfs/dbraw/zinc/73/27/48/907732748.db2.gz IOLBLDVUNTYXPF-OXJNMPFZSA-N -1 1 402.516 4.021 20 0 HIADMM Cc1ccc(NC(=O)CO[C@H]2CCCC[C@H]2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000498201924 907734172 /nfs/dbraw/zinc/73/41/72/907734172.db2.gz PDYGWFWODCDREG-UTKZUKDTSA-N -1 1 416.543 4.330 20 0 HIADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498209677 907741034 /nfs/dbraw/zinc/74/10/34/907741034.db2.gz JDVYDOXUSZDTLD-OXJNMPFZSA-N -1 1 402.516 4.021 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2cscc2Br)c1 ZINC000498215921 907746379 /nfs/dbraw/zinc/74/63/79/907746379.db2.gz KHFSSGFIOKWOIR-UHFFFAOYSA-N -1 1 405.111 4.468 20 0 HIADMM CC(C)Cc1nnc([N-]C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)s1 ZINC000498279294 907814331 /nfs/dbraw/zinc/81/43/31/907814331.db2.gz YSQHLGCVJUEOKW-UHFFFAOYSA-N -1 1 404.927 4.346 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cccc1C(=O)Nc1ccccc1 ZINC000498415341 907890977 /nfs/dbraw/zinc/89/09/77/907890977.db2.gz WHGZFFGNMVBILY-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CC(C)c1nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nn1-c1ccccc1Cl ZINC000498637536 908078513 /nfs/dbraw/zinc/07/85/13/908078513.db2.gz HJSDEWSVXSRQLM-UHFFFAOYSA-N -1 1 422.876 4.392 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(CC)CC)c2)cc1 ZINC000498692082 908119349 /nfs/dbraw/zinc/11/93/49/908119349.db2.gz XERCBQVXRMFSHM-UHFFFAOYSA-N -1 1 404.532 4.195 20 0 HIADMM CCN(CC(F)(F)F)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000498742576 908170551 /nfs/dbraw/zinc/17/05/51/908170551.db2.gz BQDZGAWHNGQLMX-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM CCc1nc(C(=O)[N-]c2nnc(C(C)C)s2)nn1-c1c(Cl)cccc1Cl ZINC000499308518 908683165 /nfs/dbraw/zinc/68/31/65/908683165.db2.gz QFXATHWQENXCJD-UHFFFAOYSA-N -1 1 411.318 4.364 20 0 HIADMM Cc1ccc(C[C@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000499623150 908858616 /nfs/dbraw/zinc/85/86/16/908858616.db2.gz AOLMGNHKLLIRRJ-OAQYLSRUSA-N -1 1 416.525 4.027 20 0 HIADMM CCCc1nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nn1-c1ccccc1Cl ZINC000499658233 908867475 /nfs/dbraw/zinc/86/74/75/908867475.db2.gz LNKYEMPNVCEKQS-UHFFFAOYSA-N -1 1 422.876 4.221 20 0 HIADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Br)c([O-])c2)c1 ZINC000499715055 908886690 /nfs/dbraw/zinc/88/66/90/908886690.db2.gz QITRWSHIYGKRFR-MRXNPFEDSA-N -1 1 406.276 4.149 20 0 HIADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)c([O-])c2)c(OC)c1 ZINC000499721293 908889194 /nfs/dbraw/zinc/88/91/94/908889194.db2.gz JXBCJQXEBTUQQT-MRXNPFEDSA-N -1 1 406.276 4.149 20 0 HIADMM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(Br)c([O-])c1 ZINC000499763394 908902964 /nfs/dbraw/zinc/90/29/64/908902964.db2.gz GDKCELLXDJAAET-UHFFFAOYSA-N -1 1 418.209 4.164 20 0 HIADMM CCC[C@@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000499814975 908945569 /nfs/dbraw/zinc/94/55/69/908945569.db2.gz SHMCOQSCXXGUJG-OAHLLOKOSA-N -1 1 418.515 4.023 20 0 HIADMM CSCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000499940092 909046276 /nfs/dbraw/zinc/04/62/76/909046276.db2.gz PIVVKZYROWUSTG-UHFFFAOYSA-N -1 1 412.964 4.469 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@H](c2ccccc2F)C1 ZINC000500101200 909581157 /nfs/dbraw/zinc/58/11/57/909581157.db2.gz XOODLHSFDABJMK-SFHVURJKSA-N -1 1 424.497 4.256 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cccc1C(=O)N1CCSCC1 ZINC000500305789 909768401 /nfs/dbraw/zinc/76/84/01/909768401.db2.gz QHYQOBYEGHDSDD-UHFFFAOYSA-N -1 1 418.584 4.108 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000500825274 910105125 /nfs/dbraw/zinc/10/51/25/910105125.db2.gz WQSWKYXTIVSAOS-KRWDZBQOSA-N -1 1 422.497 4.271 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC(C)C)C3CC3)cc2)cc1 ZINC000513130177 921574162 /nfs/dbraw/zinc/57/41/62/921574162.db2.gz RENCAVAROWTHEL-UHFFFAOYSA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)c(C)c1 ZINC000501802047 910854098 /nfs/dbraw/zinc/85/40/98/910854098.db2.gz SEQKXDQEDFXAAP-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H]3CCCC(F)(F)C3)cc2)cc1 ZINC000502030449 910987387 /nfs/dbraw/zinc/98/73/87/910987387.db2.gz IMVYFBOXOXSBSA-MRXNPFEDSA-N -1 1 422.497 4.351 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000502147920 911069645 /nfs/dbraw/zinc/06/96/45/911069645.db2.gz LOENRNZRUBXUKF-UHFFFAOYSA-N -1 1 402.491 4.060 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000502398109 911382251 /nfs/dbraw/zinc/38/22/51/911382251.db2.gz CFYQQBLCSGGRMQ-OAQYLSRUSA-N -1 1 420.557 4.388 20 0 HIADMM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502445161 911432258 /nfs/dbraw/zinc/43/22/58/911432258.db2.gz SDYXZHSSIQNTGN-RYUDHWBXSA-N -1 1 416.765 4.194 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000502688423 911727331 /nfs/dbraw/zinc/72/73/31/911727331.db2.gz ZCQDPVUDCHXABZ-UHFFFAOYSA-N -1 1 415.331 4.103 20 0 HIADMM Cc1oc2ncnc(NCc3ccccc3[N-]S(=O)(=O)c3ccccc3)c2c1C ZINC000502739060 911762940 /nfs/dbraw/zinc/76/29/40/911762940.db2.gz JHWAELMHFGXGLG-UHFFFAOYSA-N -1 1 408.483 4.253 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC4(C3)CCCCC4)cc2)ccc1F ZINC000503170175 912144085 /nfs/dbraw/zinc/14/40/85/912144085.db2.gz PMVGLEBPBOKWIF-UHFFFAOYSA-N -1 1 416.518 4.341 20 0 HIADMM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000513350152 921732900 /nfs/dbraw/zinc/73/29/00/921732900.db2.gz GODRSEBYWIFTHL-UHFFFAOYSA-N -1 1 402.516 4.187 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000506453592 915052902 /nfs/dbraw/zinc/05/29/02/915052902.db2.gz UUPXATVHZUTCEE-KGLIPLIRSA-N -1 1 412.433 4.405 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000506453591 915053419 /nfs/dbraw/zinc/05/34/19/915053419.db2.gz UUPXATVHZUTCEE-KBPBESRZSA-N -1 1 412.433 4.405 20 0 HIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)no1 ZINC000506557263 915204223 /nfs/dbraw/zinc/20/42/23/915204223.db2.gz WIDMOMRAYBXFEY-UHFFFAOYSA-N -1 1 416.528 4.290 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000506561166 915208857 /nfs/dbraw/zinc/20/88/57/915208857.db2.gz KSJYTIYODLMXTQ-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c(F)c1 ZINC000506602804 915255275 /nfs/dbraw/zinc/25/52/75/915255275.db2.gz SCELXKVNXVNDTM-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000506793494 915526243 /nfs/dbraw/zinc/52/62/43/915526243.db2.gz GROXRYHTFIBHAY-UHFFFAOYSA-N -1 1 403.500 4.108 20 0 HIADMM Cc1ccc(Cc2nnc([N-]C(=O)c3csc(-c4ncccc4F)n3)s2)cc1 ZINC000507401941 916167477 /nfs/dbraw/zinc/16/74/77/916167477.db2.gz JKLNAMONJSMQIA-UHFFFAOYSA-N -1 1 411.487 4.347 20 0 HIADMM O=C(COc1ccc(Cl)cc1C1CCCCC1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507887718 916734770 /nfs/dbraw/zinc/73/47/70/916734770.db2.gz LDEQLZCALKYAPD-OAHLLOKOSA-N -1 1 419.909 4.261 20 0 HIADMM O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507921543 916801112 /nfs/dbraw/zinc/80/11/12/916801112.db2.gz XEHJJUGFQKRMCM-CQSZACIVSA-N -1 1 422.466 4.179 20 0 HIADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000508270273 917087443 /nfs/dbraw/zinc/08/74/43/917087443.db2.gz GTMQUVKJYWJSOB-CVEARBPZSA-N -1 1 404.507 4.183 20 0 HIADMM CC[C@@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCO1 ZINC000508529561 917311914 /nfs/dbraw/zinc/31/19/14/917311914.db2.gz UQGNNKYXGJERJT-RDTXWAMCSA-N -1 1 422.934 4.285 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)c1 ZINC000509071492 917816712 /nfs/dbraw/zinc/81/67/12/917816712.db2.gz ZABIGCRFMQWCRA-UHFFFAOYSA-N -1 1 424.547 4.412 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2)c1 ZINC000509074757 917819661 /nfs/dbraw/zinc/81/96/61/917819661.db2.gz LOYZXXKSRIFHKU-UHFFFAOYSA-N -1 1 404.557 4.081 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000509103088 917842859 /nfs/dbraw/zinc/84/28/59/917842859.db2.gz LYTSSXIEBHMNCE-UHFFFAOYSA-N -1 1 400.422 4.409 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1OCC(F)(F)F ZINC000509104170 917843879 /nfs/dbraw/zinc/84/38/79/917843879.db2.gz UQQYPTFOHYWDIU-UHFFFAOYSA-N -1 1 407.435 4.159 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(I)cc2C)c1 ZINC000509103743 917843995 /nfs/dbraw/zinc/84/39/95/917843995.db2.gz RFDVVONLSSQDGD-UHFFFAOYSA-N -1 1 419.309 4.122 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000509171290 917885415 /nfs/dbraw/zinc/88/54/15/917885415.db2.gz MBQRVOWSTLTDRH-KRWDZBQOSA-N -1 1 415.704 4.364 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000509171292 917885444 /nfs/dbraw/zinc/88/54/44/917885444.db2.gz MBQRVOWSTLTDRH-QGZVFWFLSA-N -1 1 415.704 4.364 20 0 HIADMM CC[C@@H]1CCc2nc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)sc2C1 ZINC000509394451 918059864 /nfs/dbraw/zinc/05/98/64/918059864.db2.gz JNBAIDZGVGQQDV-CQSZACIVSA-N -1 1 423.542 4.095 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(OC)nc3)ccc2C)cc1 ZINC000509397385 918064158 /nfs/dbraw/zinc/06/41/58/918064158.db2.gz SQGGBYDLPQWNCB-UHFFFAOYSA-N -1 1 412.511 4.055 20 0 HIADMM Cc1nc2ccc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)cc2s1 ZINC000509530851 918177663 /nfs/dbraw/zinc/17/76/63/918177663.db2.gz XFFQVTZTTMPVEH-UHFFFAOYSA-N -1 1 405.483 4.042 20 0 HIADMM O=S(=O)([N-]CCc1coc(-c2ccc(F)cc2)n1)c1cc(Cl)sc1Cl ZINC000509686881 918317436 /nfs/dbraw/zinc/31/74/36/918317436.db2.gz USFWQIWSUBDPMU-UHFFFAOYSA-N -1 1 421.302 4.370 20 0 HIADMM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)N2CCCC2)o1 ZINC000509692030 918322628 /nfs/dbraw/zinc/32/26/28/918322628.db2.gz GDIZFCWBWDGKKH-NSHDSACASA-N -1 1 409.360 4.072 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000509714731 918342371 /nfs/dbraw/zinc/34/23/71/918342371.db2.gz NALFZWXOICCYDA-VIOKTNGOSA-N -1 1 414.509 4.190 20 0 HIADMM CCCCOc1ccccc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509758252 918372984 /nfs/dbraw/zinc/37/29/84/918372984.db2.gz HZNAAALWDGTFLG-UHFFFAOYSA-N -1 1 406.486 4.303 20 0 HIADMM CCOC(=O)c1cnc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)[n-]1 ZINC000510021068 918597611 /nfs/dbraw/zinc/59/76/11/918597611.db2.gz QESDFUHLJLJKQX-UHFFFAOYSA-N -1 1 423.256 4.120 20 0 HIADMM CCOC(=O)c1c[n-]c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000510021068 918597620 /nfs/dbraw/zinc/59/76/20/918597620.db2.gz QESDFUHLJLJKQX-UHFFFAOYSA-N -1 1 423.256 4.120 20 0 HIADMM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cc1O ZINC000510039445 918611046 /nfs/dbraw/zinc/61/10/46/918611046.db2.gz HNDPOFZACFJXAM-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1O ZINC000510047948 918619133 /nfs/dbraw/zinc/61/91/33/918619133.db2.gz KBDLKXOZBIRVGZ-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CC[C@H](C)Cc1c(C)sc2nc(-c3cccc(S(=O)(=O)N(C)C)c3)[n-]c(=O)c12 ZINC000510132702 918690785 /nfs/dbraw/zinc/69/07/85/918690785.db2.gz IKDHRNRFOKKDPN-LBPRGKRZSA-N -1 1 419.572 4.211 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)C(C)C)cc1 ZINC000510273456 918800047 /nfs/dbraw/zinc/80/00/47/918800047.db2.gz NNMALNVSFVUXIK-UHFFFAOYSA-N -1 1 423.538 4.242 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)on1 ZINC000510327105 918834039 /nfs/dbraw/zinc/83/40/39/918834039.db2.gz YIEINCHWJGLZNE-UHFFFAOYSA-N -1 1 421.744 4.473 20 0 HIADMM Cc1cccc(CN(Cc2ccco2)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000510724590 919169392 /nfs/dbraw/zinc/16/93/92/919169392.db2.gz YRVVWMMINZMJFB-UHFFFAOYSA-N -1 1 418.497 4.115 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)c2ccccc12 ZINC000511210384 919822325 /nfs/dbraw/zinc/82/23/25/919822325.db2.gz VQNWFOTUNDQOQY-UHFFFAOYSA-N -1 1 408.483 4.133 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000511244594 919845932 /nfs/dbraw/zinc/84/59/32/919845932.db2.gz ZXUCLJHQGMMRNW-UHFFFAOYSA-N -1 1 403.442 4.205 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)c2ccccc12 ZINC000511291404 919886822 /nfs/dbraw/zinc/88/68/22/919886822.db2.gz UFTUHCDLYFWGNJ-UHFFFAOYSA-N -1 1 410.495 4.166 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000511295189 919891445 /nfs/dbraw/zinc/89/14/45/919891445.db2.gz IYDGKDJZOTZJTG-MRXNPFEDSA-N -1 1 404.532 4.111 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000511769125 920457650 /nfs/dbraw/zinc/45/76/50/920457650.db2.gz MMDGKNBLKDUXOP-UHFFFAOYSA-N -1 1 409.515 4.356 20 0 HIADMM O=C(NCc1coc2ccccc12)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000511804404 920500380 /nfs/dbraw/zinc/50/03/80/920500380.db2.gz BRGBKVYYEUOSIB-UHFFFAOYSA-N -1 1 424.453 4.303 20 0 HIADMM COc1ccc(C[C@@H](C)C(=O)Nc2cc(C)cc(Br)c2[O-])cc1OC ZINC000512015361 920788044 /nfs/dbraw/zinc/78/80/44/920788044.db2.gz CFQDLBUEZYRMAU-GFCCVEGCSA-N -1 1 408.292 4.298 20 0 HIADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F)c2=O ZINC000512028079 920802315 /nfs/dbraw/zinc/80/23/15/920802315.db2.gz PDDZHURPMLBBLF-MRXNPFEDSA-N -1 1 404.392 4.060 20 0 HIADMM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000512031043 920803121 /nfs/dbraw/zinc/80/31/21/920803121.db2.gz LRNYDQFHJVDTFL-CTNGQTDRSA-N -1 1 406.530 4.169 20 0 HIADMM Cc1cc(CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C2CCCC2)c2ccccc2n1 ZINC000512035821 920808027 /nfs/dbraw/zinc/80/80/27/920808027.db2.gz YONGWNFHRUAYSE-UHFFFAOYSA-N -1 1 415.497 4.116 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(C1CC1)C1CC1 ZINC000512256024 921013931 /nfs/dbraw/zinc/01/39/31/921013931.db2.gz GOEFDXXHOVQROM-UHFFFAOYSA-N -1 1 406.454 4.140 20 0 HIADMM O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1)C1CCCC1 ZINC000512316742 921066810 /nfs/dbraw/zinc/06/68/10/921066810.db2.gz XRHVEZBGJJKMNE-INIZCTEOSA-N -1 1 402.926 4.277 20 0 HIADMM O=C(N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000513549692 921885898 /nfs/dbraw/zinc/88/58/98/921885898.db2.gz XMMRSGAJEMNUBD-ZBFHGGJFSA-N -1 1 401.388 4.008 20 0 HIADMM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000513718109 922038118 /nfs/dbraw/zinc/03/81/18/922038118.db2.gz JBCFBHJXOPDKDB-AWEZNQCLSA-N -1 1 413.499 4.225 20 0 HIADMM CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)ccc2s1 ZINC000513818575 922141608 /nfs/dbraw/zinc/14/16/08/922141608.db2.gz GBZQWTSIDOYEJY-UHFFFAOYSA-N -1 1 403.481 4.081 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1Cc2ccccc2S1 ZINC000514146754 922481371 /nfs/dbraw/zinc/48/13/71/922481371.db2.gz CNUARJFRANINPR-FQEVSTJZSA-N -1 1 410.520 4.143 20 0 HIADMM O=C(NCc1ccco1)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000514753343 922783145 /nfs/dbraw/zinc/78/31/45/922783145.db2.gz ZKUHFWFOZODXRG-UHFFFAOYSA-N -1 1 421.425 4.340 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C2CCCCC2)o1 ZINC000515612831 923215808 /nfs/dbraw/zinc/21/58/08/923215808.db2.gz RLTJHUNUQSTLTE-UHFFFAOYSA-N -1 1 418.559 4.332 20 0 HIADMM O=C(NCc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000515628765 923229677 /nfs/dbraw/zinc/22/96/77/923229677.db2.gz LSNCNJBACVLDLD-UHFFFAOYSA-N -1 1 424.497 4.045 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)ccc1NC(C)=O ZINC000515633411 923235589 /nfs/dbraw/zinc/23/55/89/923235589.db2.gz KRMMJSZZTBWJON-UHFFFAOYSA-N -1 1 410.451 4.354 20 0 HIADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1 ZINC000515966872 923466047 /nfs/dbraw/zinc/46/60/47/923466047.db2.gz GTXYVSPJZYIKJZ-YWZLYKJASA-N -1 1 410.495 4.134 20 0 HIADMM CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)c1 ZINC000516003852 923495328 /nfs/dbraw/zinc/49/53/28/923495328.db2.gz SCDDNWRKMNYYRA-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000516096142 923540093 /nfs/dbraw/zinc/54/00/93/923540093.db2.gz FOGRYDWCDJCEIQ-SFHVURJKSA-N -1 1 404.800 4.086 20 0 HIADMM COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1[N-]S(C)(=O)=O ZINC000516324011 923664822 /nfs/dbraw/zinc/66/48/22/923664822.db2.gz JWADLELPQCRRNS-UHFFFAOYSA-N -1 1 420.506 4.046 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]3C(C)C)cc2)cc1 ZINC000517087075 923990511 /nfs/dbraw/zinc/99/05/11/923990511.db2.gz IFHNGKLDLRBUTN-NRFANRHFSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)c(C)c2)cc1C(F)(F)F ZINC000517475459 924215995 /nfs/dbraw/zinc/21/59/95/924215995.db2.gz DOJQLSGTRNVTII-UHFFFAOYSA-N -1 1 414.449 4.261 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)c1C ZINC000517483743 924222638 /nfs/dbraw/zinc/22/26/38/924222638.db2.gz BRYCNFXZWZEVRF-UHFFFAOYSA-N -1 1 412.467 4.078 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)c1C ZINC000517484151 924222793 /nfs/dbraw/zinc/22/27/93/924222793.db2.gz KCTAJTJEBZACMJ-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC000517496212 924230488 /nfs/dbraw/zinc/23/04/88/924230488.db2.gz AZEUJXPWUNJQFT-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c2)o1 ZINC000517519964 924242543 /nfs/dbraw/zinc/24/25/43/924242543.db2.gz SFGGDSXFCSSEQA-UHFFFAOYSA-N -1 1 405.435 4.170 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1C(=O)NC(C)C ZINC000518174043 927065061 /nfs/dbraw/zinc/06/50/61/927065061.db2.gz PZIKNERWPNNQFS-UHFFFAOYSA-N -1 1 402.560 4.476 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000518248562 927105332 /nfs/dbraw/zinc/10/53/32/927105332.db2.gz PDHLZMVBRZEJQZ-HSZRJFAPSA-N -1 1 420.900 4.153 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4cccnc4)no3)cc2)cc1C ZINC000518323509 927188317 /nfs/dbraw/zinc/18/83/17/927188317.db2.gz WHEBASRMRYGFGA-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1ccc(NC(=O)[C@H](C)OCC(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000518337677 927202840 /nfs/dbraw/zinc/20/28/40/927202840.db2.gz HGTAAXDRNLUFQG-HNNXBMFYSA-N -1 1 424.950 4.449 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000518747740 927472314 /nfs/dbraw/zinc/47/23/14/927472314.db2.gz XORSXRNLYQVHRR-HXUWFJFHSA-N -1 1 420.435 4.127 20 0 HIADMM CC(C)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000518793432 927496449 /nfs/dbraw/zinc/49/64/49/927496449.db2.gz XROVGEBGDVGIHV-LJQANCHMSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1ccc(NC(=O)[C@H](C)OCC(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000518831786 927527134 /nfs/dbraw/zinc/52/71/34/927527134.db2.gz ZDMFJFMBEXZETI-HNNXBMFYSA-N -1 1 424.950 4.449 20 0 HIADMM CC(C)CCO[C@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000519024855 927701668 /nfs/dbraw/zinc/70/16/68/927701668.db2.gz QPSXKFHDWPTTOD-OAHLLOKOSA-N -1 1 408.495 4.016 20 0 HIADMM C[C@@H](C1CC1)N(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1CC1 ZINC000519134926 927800245 /nfs/dbraw/zinc/80/02/45/927800245.db2.gz RRGNHJRMYQGRQZ-ZDUSSCGKSA-N -1 1 420.481 4.169 20 0 HIADMM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)C(C)(C)C ZINC000519255901 927849720 /nfs/dbraw/zinc/84/97/20/927849720.db2.gz MIPGNPQYRYZIJP-LJQANCHMSA-N -1 1 404.532 4.051 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cncn2)c(F)c1)c1ccc2oc3ccccc3c2c1 ZINC000519398044 927922295 /nfs/dbraw/zinc/92/22/95/927922295.db2.gz SCDARKPMZMTABL-UHFFFAOYSA-N -1 1 408.414 4.107 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000519429237 927940875 /nfs/dbraw/zinc/94/08/75/927940875.db2.gz MRCZNJLSSRPZSD-CZIWCDLHSA-N -1 1 404.507 4.243 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Sc2nccn2C)cc1C ZINC000519438304 927948812 /nfs/dbraw/zinc/94/88/12/927948812.db2.gz CQOGGIWCWROXCT-UHFFFAOYSA-N -1 1 423.947 4.343 20 0 HIADMM C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000519873056 928106236 /nfs/dbraw/zinc/10/62/36/928106236.db2.gz MGQXUQYLULQKKD-OAHLLOKOSA-N -1 1 406.935 4.403 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1)C1CC1 ZINC000519966458 928194930 /nfs/dbraw/zinc/19/49/30/928194930.db2.gz IDYVONKBSJXQFO-UHFFFAOYSA-N -1 1 406.507 4.389 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC[C@@H]2CC=CCC2)c1 ZINC000519991324 928218600 /nfs/dbraw/zinc/21/86/00/928218600.db2.gz CLAOSWNUMUVVIA-MRXNPFEDSA-N -1 1 402.491 4.021 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000519993104 928219689 /nfs/dbraw/zinc/21/96/89/928219689.db2.gz OUSRFVBKQANNIM-AWEZNQCLSA-N -1 1 406.935 4.321 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3ccncc3)ccc2C)c1 ZINC000520038647 928262267 /nfs/dbraw/zinc/26/22/67/928262267.db2.gz LMYLVPGKMGDKTG-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)s1 ZINC000520132034 928329499 /nfs/dbraw/zinc/32/94/99/928329499.db2.gz DRPWAHQUWPIZNP-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM C[C@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000520154967 928347082 /nfs/dbraw/zinc/34/70/82/928347082.db2.gz IUEUFFHOFCKMCF-SECBINFHSA-N -1 1 408.328 4.083 20 0 HIADMM C[C@@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000520154968 928347442 /nfs/dbraw/zinc/34/74/42/928347442.db2.gz IUEUFFHOFCKMCF-VIFPVBQESA-N -1 1 408.328 4.083 20 0 HIADMM COc1ccc(-c2cnc(CCC(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)o2)cc1 ZINC000520162769 928355305 /nfs/dbraw/zinc/35/53/05/928355305.db2.gz OYBUZJUVCCRECB-UHFFFAOYSA-N -1 1 404.426 4.017 20 0 HIADMM Cc1cnc(-c2cccc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)c2)o1 ZINC000520188679 928377569 /nfs/dbraw/zinc/37/75/69/928377569.db2.gz MITCMSBAZBZCAY-UHFFFAOYSA-N -1 1 415.453 4.087 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000520273199 928437977 /nfs/dbraw/zinc/43/79/77/928437977.db2.gz BRJDNGIWAUMPKO-MRVPVSSYSA-N -1 1 404.300 4.144 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(OCCC(C)C)c3)cc2C[C@@H]1C ZINC000520395275 928546241 /nfs/dbraw/zinc/54/62/41/928546241.db2.gz KOYIVOGOAJGMOQ-INIZCTEOSA-N -1 1 416.543 4.210 20 0 HIADMM O=C(NC[C@@H]1CC=CCC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000520550519 928635372 /nfs/dbraw/zinc/63/53/72/928635372.db2.gz OHRWGMWZHZKUTC-OAHLLOKOSA-N -1 1 404.919 4.227 20 0 HIADMM CC(C)Cn1ccc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)ccc21 ZINC000520559919 928641654 /nfs/dbraw/zinc/64/16/54/928641654.db2.gz VJVJBYNSTPAGHO-UHFFFAOYSA-N -1 1 417.531 4.219 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1 ZINC000520703264 928748817 /nfs/dbraw/zinc/74/88/17/928748817.db2.gz XARWDQZHSHUMPL-MRXNPFEDSA-N -1 1 414.527 4.013 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CC[C@H](C)CC3)cc2)cc1 ZINC000520831969 928836471 /nfs/dbraw/zinc/83/64/71/928836471.db2.gz ZQXWYSFDMGVQMZ-SAABIXHNSA-N -1 1 416.543 4.195 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1n[n-]c(CCC2CCCC2)n1 ZINC000520840037 928839035 /nfs/dbraw/zinc/83/90/35/928839035.db2.gz ARCZRWCOBXQCTF-UHFFFAOYSA-N -1 1 420.535 4.164 20 0 HIADMM NC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1 ZINC000520871138 928853315 /nfs/dbraw/zinc/85/33/15/928853315.db2.gz YJYHWOCEUJAUOF-UHFFFAOYSA-N -1 1 417.874 4.424 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)cc1 ZINC000520958646 928889866 /nfs/dbraw/zinc/88/98/66/928889866.db2.gz VWVGYZZBSUMISS-UHFFFAOYSA-N -1 1 403.529 4.185 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000520975085 928898782 /nfs/dbraw/zinc/89/87/82/928898782.db2.gz MYLFXPINVYWJTI-UHFFFAOYSA-N -1 1 401.513 4.132 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000521061926 928968252 /nfs/dbraw/zinc/96/82/52/928968252.db2.gz UHOFOGNYVQQQMJ-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000521144345 929022080 /nfs/dbraw/zinc/02/20/80/929022080.db2.gz FPHWJAVJCJAKBX-UHFFFAOYSA-N -1 1 413.480 4.099 20 0 HIADMM Cc1cc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)ccc1Oc1ccc(F)cc1 ZINC000521167868 929040376 /nfs/dbraw/zinc/04/03/76/929040376.db2.gz CTNFOTQTBCOWEJ-UHFFFAOYSA-N -1 1 403.413 4.093 20 0 HIADMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000521186316 929050371 /nfs/dbraw/zinc/05/03/71/929050371.db2.gz JLWPNKTULBGOGA-UHFFFAOYSA-N -1 1 408.479 4.397 20 0 HIADMM Cc1csc(N(C)C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000521353893 929172791 /nfs/dbraw/zinc/17/27/91/929172791.db2.gz XDSYJJHSBRLKHY-UHFFFAOYSA-N -1 1 415.540 4.146 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)c3cccnc3)ccc2C)cc1 ZINC000521565341 929300021 /nfs/dbraw/zinc/30/00/21/929300021.db2.gz SPUOXZIQTNTAJI-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM COc1ccsc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000521566979 929301126 /nfs/dbraw/zinc/30/11/26/929301126.db2.gz JUQCLLKMTIPJPI-UHFFFAOYSA-N -1 1 422.915 4.463 20 0 HIADMM CCC[C@@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000521567239 929302018 /nfs/dbraw/zinc/30/20/18/929302018.db2.gz HRYCBMNFLFVSLJ-QGZVFWFLSA-N -1 1 404.532 4.195 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 ZINC000521673836 929359308 /nfs/dbraw/zinc/35/93/08/929359308.db2.gz ZLPPDKKUFHOAHC-CYBMUJFWSA-N -1 1 419.430 4.037 20 0 HIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccc(Br)cc1 ZINC000521906584 929550302 /nfs/dbraw/zinc/55/03/02/929550302.db2.gz OAJYYCQNYFLRCJ-SSDOTTSWSA-N -1 1 407.211 4.327 20 0 HIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)n1 ZINC000524549499 929678851 /nfs/dbraw/zinc/67/88/51/929678851.db2.gz CWMHPFWHOUUKKI-UHFFFAOYSA-N -1 1 411.380 4.411 20 0 HIADMM O=C(Nc1nnn[n-]1)c1c2c(nc3ccccc31)C(=Cc1c(F)cccc1Cl)CC2 ZINC000524579122 929697270 /nfs/dbraw/zinc/69/72/70/929697270.db2.gz LWEOTZGKTRAFFX-KHPPLWFESA-N -1 1 420.835 4.280 20 0 HIADMM O=C(Nc1nn[n-]n1)c1c2c(nc3ccccc31)C(=Cc1c(F)cccc1Cl)CC2 ZINC000524579122 929697272 /nfs/dbraw/zinc/69/72/72/929697272.db2.gz LWEOTZGKTRAFFX-KHPPLWFESA-N -1 1 420.835 4.280 20 0 HIADMM COc1cc(NC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)ccc1[N-]S(C)(=O)=O ZINC000524623555 929730522 /nfs/dbraw/zinc/73/05/22/929730522.db2.gz GIWBUORHXMRANL-QGZVFWFLSA-N -1 1 417.531 4.001 20 0 HIADMM C[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)[C@@H]1C ZINC000524653992 929766566 /nfs/dbraw/zinc/76/65/66/929766566.db2.gz PAZPBQICWBRWEZ-ZIAGYGMSSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C)cc2)c1 ZINC000524654610 929766803 /nfs/dbraw/zinc/76/68/03/929766803.db2.gz ACSCGHAGEFQFBB-WMZOPIPTSA-N -1 1 400.544 4.365 20 0 HIADMM CCCN(C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)[C@@H](CC)c1ccccc1 ZINC000524897521 929878818 /nfs/dbraw/zinc/87/88/18/929878818.db2.gz PYKWFXDJHMXWOY-IBGZPJMESA-N -1 1 419.547 4.462 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CCC1CC1 ZINC000525010568 929972483 /nfs/dbraw/zinc/97/24/83/929972483.db2.gz XYKUXADDOPUIKK-UHFFFAOYSA-N -1 1 408.907 4.278 20 0 HIADMM O=C1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2N1 ZINC000525013227 929973919 /nfs/dbraw/zinc/97/39/19/929973919.db2.gz QPKUZGWPABWGJC-UHFFFAOYSA-N -1 1 404.797 4.044 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1)c1ccccc1 ZINC000525019006 929978851 /nfs/dbraw/zinc/97/88/51/929978851.db2.gz NUBRSWZJAPMSLV-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CCC[C@@H](CCc1ccccc1)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000525058629 930009246 /nfs/dbraw/zinc/00/92/46/930009246.db2.gz KGTDCWJFKOOOGH-NRFANRHFSA-N -1 1 418.541 4.403 20 0 HIADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525069388 930016036 /nfs/dbraw/zinc/01/60/36/930016036.db2.gz ZZIVDQGKAXFUSF-UZLBHIALSA-N -1 1 402.516 4.021 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)CCC[C@@H]3C)c2)cc1 ZINC000525103617 930037457 /nfs/dbraw/zinc/03/74/57/930037457.db2.gz NXMWLFYAHDHIRX-ROUUACIJSA-N -1 1 400.544 4.447 20 0 HIADMM COc1cc(CN(C)c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)ccc1OC(F)F ZINC000525194333 930082211 /nfs/dbraw/zinc/08/22/11/930082211.db2.gz YHPJHAXKGLYBGC-UHFFFAOYSA-N -1 1 416.428 4.107 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CSC3CCCC3)c2)cc1C(N)=O ZINC000525370582 930201744 /nfs/dbraw/zinc/20/17/44/930201744.db2.gz YFVJYWFXBOWALC-UHFFFAOYSA-N -1 1 404.557 4.071 20 0 HIADMM CC(C)N(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C1CCC1 ZINC000525396311 930216404 /nfs/dbraw/zinc/21/64/04/930216404.db2.gz QDDMGQXCUNZCOJ-UHFFFAOYSA-N -1 1 408.470 4.169 20 0 HIADMM CC[C@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)c1ccc(Cl)s1 ZINC000525417192 930228837 /nfs/dbraw/zinc/22/88/37/930228837.db2.gz XUJNWCYVLMGTCZ-NSHDSACASA-N -1 1 417.940 4.054 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc2ncccc2c1 ZINC000525583709 930346040 /nfs/dbraw/zinc/34/60/40/930346040.db2.gz PCAKGYSCWKMNAV-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(-c2cnco2)cc1 ZINC000525586368 930347633 /nfs/dbraw/zinc/34/76/33/930347633.db2.gz DNHBDQJNVLXDJR-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000525602515 930356786 /nfs/dbraw/zinc/35/67/86/930356786.db2.gz ANPCYABNECTARK-SPLOXXLWSA-N -1 1 424.932 4.240 20 0 HIADMM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000525602516 930356928 /nfs/dbraw/zinc/35/69/28/930356928.db2.gz ANPCYABNECTARK-SZNDQCEHSA-N -1 1 424.932 4.240 20 0 HIADMM CC[C@H](C)[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000525602514 930357048 /nfs/dbraw/zinc/35/70/48/930357048.db2.gz ANPCYABNECTARK-QKKBWIMNSA-N -1 1 424.932 4.240 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)[C@H]3C)cc2)cc1 ZINC000525620278 930366526 /nfs/dbraw/zinc/36/65/26/930366526.db2.gz KNGNZKUOFOERSI-IAGOWNOFSA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](C)[C@H]3C)c2)cc1 ZINC000525621548 930367599 /nfs/dbraw/zinc/36/75/99/930367599.db2.gz WLNAAUSKHQBIDN-DLBZAZTESA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)n1 ZINC000525631939 930373996 /nfs/dbraw/zinc/37/39/96/930373996.db2.gz QWBXIYOYLFZTOZ-UHFFFAOYSA-N -1 1 412.327 4.488 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(C)(C)C)cc1 ZINC000525723398 930416342 /nfs/dbraw/zinc/41/63/42/930416342.db2.gz HZWONRNZYPPSRP-FQEVSTJZSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc(C(=O)NCC(C2CC2)C2CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000525774410 930439742 /nfs/dbraw/zinc/43/97/42/930439742.db2.gz GGEYRYFHZNXZKE-UHFFFAOYSA-N -1 1 416.518 4.101 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(O)cc3)cc2)c1C ZINC000530845927 930839686 /nfs/dbraw/zinc/83/96/86/930839686.db2.gz BOSWBHOFXIKIKC-UHFFFAOYSA-N -1 1 424.522 4.082 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)cc1C ZINC000530923854 930859671 /nfs/dbraw/zinc/85/96/71/930859671.db2.gz SNJSAKIEPDHYKM-UHFFFAOYSA-N -1 1 405.516 4.050 20 0 HIADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(COC4CCCC4)cc3)ccc2NC1=O ZINC000531528019 931093774 /nfs/dbraw/zinc/09/37/74/931093774.db2.gz IKZANKIQVUSYLP-UHFFFAOYSA-N -1 1 414.527 4.176 20 0 HIADMM CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000531560579 931103271 /nfs/dbraw/zinc/10/32/71/931103271.db2.gz KYLLWHCVEWMBEH-BFUOFWGJSA-N -1 1 408.907 4.221 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3[O-])c2)c1 ZINC000531756406 931183851 /nfs/dbraw/zinc/18/38/51/931183851.db2.gz CRGYBKISCOEHSL-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)oc1C ZINC000532009997 931283618 /nfs/dbraw/zinc/28/36/18/931283618.db2.gz RIOXHKQJIUBLAF-UHFFFAOYSA-N -1 1 406.410 4.228 20 0 HIADMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2o1 ZINC000532032444 931292545 /nfs/dbraw/zinc/29/25/45/931292545.db2.gz DVYVECMSOTVFPI-UHFFFAOYSA-N -1 1 413.499 4.156 20 0 HIADMM Cc1ccc(C(=O)N(CC2CC2)C(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000532109428 931315948 /nfs/dbraw/zinc/31/59/48/931315948.db2.gz ICCRUJUZMRANCR-UHFFFAOYSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc4[nH]cnc43)ccc2C)c1 ZINC000532606698 931553204 /nfs/dbraw/zinc/55/32/04/931553204.db2.gz DQBSUMWCQGCLQY-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CCOC(=O)c1cc2cc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)ccc2s1 ZINC000533145885 931784131 /nfs/dbraw/zinc/78/41/31/931784131.db2.gz QRLDMLSLVJUELM-UHFFFAOYSA-N -1 1 413.499 4.432 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)[C@@H]1COc2ccccc21 ZINC000533180345 931803116 /nfs/dbraw/zinc/80/31/16/931803116.db2.gz MIGOWWPTKGOKBB-SCZZXKLOSA-N -1 1 422.753 4.007 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c1 ZINC000533647605 931943383 /nfs/dbraw/zinc/94/33/83/931943383.db2.gz JGMZZKMJGDHVEX-UHFFFAOYSA-N -1 1 403.438 4.164 20 0 HIADMM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cc(F)cc(Cl)c3)n2)cc1F ZINC000533694197 931973750 /nfs/dbraw/zinc/97/37/50/931973750.db2.gz TXIQWILCZPJGFZ-JTQLQIEISA-N -1 1 413.833 4.016 20 0 HIADMM CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)OCC3 ZINC000534064965 932243759 /nfs/dbraw/zinc/24/37/59/932243759.db2.gz KXADNEAQSPDAGP-LJQANCHMSA-N -1 1 421.423 4.074 20 0 HIADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(Br)ccc1Br ZINC000534242792 932360615 /nfs/dbraw/zinc/36/06/15/932360615.db2.gz IBDQCYXOXIPNDH-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CCOCC1 ZINC000534391322 932414568 /nfs/dbraw/zinc/41/45/68/932414568.db2.gz WSISZZYYWFCHGV-AWEZNQCLSA-N -1 1 422.934 4.142 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)cc1Cl ZINC000534618345 932601099 /nfs/dbraw/zinc/60/10/99/932601099.db2.gz GGRINCIOELEAIJ-UHFFFAOYSA-N -1 1 405.932 4.426 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NC2CCC(F)(F)CC2)nc1 ZINC000534883324 932821860 /nfs/dbraw/zinc/82/18/60/932821860.db2.gz IYHYABYFNVACJX-UHFFFAOYSA-N -1 1 403.401 4.150 20 0 HIADMM COc1cc(F)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000534978369 932873033 /nfs/dbraw/zinc/87/30/33/932873033.db2.gz UBYAVQNOMCLVPG-UHFFFAOYSA-N -1 1 413.776 4.316 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)sc1Br ZINC000535384604 933107018 /nfs/dbraw/zinc/10/70/18/933107018.db2.gz ZJMFEFHHGHXWJO-UHFFFAOYSA-N -1 1 422.276 4.434 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(C)c3Br)c2C)o1 ZINC000535394701 933113150 /nfs/dbraw/zinc/11/31/50/933113150.db2.gz NQGGTVWNSXCCMG-UHFFFAOYSA-N -1 1 410.293 4.158 20 0 HIADMM O=C(Nc1ccc(Cl)cc1[O-])c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000535421171 933127677 /nfs/dbraw/zinc/12/76/77/933127677.db2.gz PVQHVZPDENVKMX-UHFFFAOYSA-N -1 1 400.719 4.037 20 0 HIADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)cc2nc1C1CC1 ZINC000535506892 933198848 /nfs/dbraw/zinc/19/88/48/933198848.db2.gz IMCNFLJHFNPIDQ-UHFFFAOYSA-N -1 1 424.295 4.153 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C(C)(C)C)n3C)cc1 ZINC000535508281 933202414 /nfs/dbraw/zinc/20/24/14/933202414.db2.gz QSYCPCPIWFASDN-UHFFFAOYSA-N -1 1 414.531 4.020 20 0 HIADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c(Cl)c1 ZINC000535656576 933301100 /nfs/dbraw/zinc/30/11/00/933301100.db2.gz XVYMJHGNRIAODE-UHFFFAOYSA-N -1 1 407.706 4.116 20 0 HIADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000535690230 933345044 /nfs/dbraw/zinc/34/50/44/933345044.db2.gz RHDMNWYOKHBBJZ-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)co1 ZINC000535915914 933488897 /nfs/dbraw/zinc/48/88/97/933488897.db2.gz WQKKQONNIAWZDF-UHFFFAOYSA-N -1 1 422.915 4.245 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2)cc1OC ZINC000537393833 933754789 /nfs/dbraw/zinc/75/47/89/933754789.db2.gz HIFBAKVZNQXEBB-UHFFFAOYSA-N -1 1 402.447 4.387 20 0 HIADMM O=C(NCc1ccccc1F)C1(c2noc(-c3ccc4ccccc4c3[O-])n2)CC1 ZINC000562561797 945098563 /nfs/dbraw/zinc/09/85/63/945098563.db2.gz HRVRGPOBJALEBS-UHFFFAOYSA-N -1 1 403.413 4.083 20 0 HIADMM COCCC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000537593852 938330823 /nfs/dbraw/zinc/33/08/23/938330823.db2.gz OPIDQFWQYWMCTL-OAHLLOKOSA-N -1 1 424.950 4.450 20 0 HIADMM CC1=C(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])CCC1 ZINC000537772572 938373642 /nfs/dbraw/zinc/37/36/42/938373642.db2.gz SCMGCVKKSLAYFI-UHFFFAOYSA-N -1 1 406.891 4.285 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)c(=O)[n-]1 ZINC000537902133 938405941 /nfs/dbraw/zinc/40/59/41/938405941.db2.gz KPHKMNGMFVNVLN-UHFFFAOYSA-N -1 1 421.522 4.386 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3[C@H](C)CC[C@@H]3CC)cc2)cc1 ZINC000537916163 938411676 /nfs/dbraw/zinc/41/16/76/938411676.db2.gz GRADTXGBUPLRKZ-APWZRJJASA-N -1 1 416.543 4.289 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(COc4ccccc4)cc3)ccc2N1 ZINC000538016910 938463231 /nfs/dbraw/zinc/46/32/31/938463231.db2.gz XXLRELYJYVRJRR-UHFFFAOYSA-N -1 1 422.506 4.341 20 0 HIADMM Cc1cc(C)c(CC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000538016820 938463748 /nfs/dbraw/zinc/46/37/48/938463748.db2.gz NMUBSFVADULKCH-UHFFFAOYSA-N -1 1 422.550 4.272 20 0 HIADMM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000538131086 938514801 /nfs/dbraw/zinc/51/48/01/938514801.db2.gz ARIVJFRDUGFNHK-UHFFFAOYSA-N -1 1 402.541 4.091 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1C ZINC000538495370 938635345 /nfs/dbraw/zinc/63/53/45/938635345.db2.gz ACKLNBSPEHZLQW-UHFFFAOYSA-N -1 1 409.467 4.398 20 0 HIADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2)c1 ZINC000538497925 938636225 /nfs/dbraw/zinc/63/62/25/938636225.db2.gz XNOMFQYINJPPTK-UHFFFAOYSA-N -1 1 413.474 4.072 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)c(Cl)c1 ZINC000538753247 938702671 /nfs/dbraw/zinc/70/26/71/938702671.db2.gz AOVWJYOOFFHSLJ-UHFFFAOYSA-N -1 1 414.980 4.216 20 0 HIADMM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)s1 ZINC000538755240 938703306 /nfs/dbraw/zinc/70/33/06/938703306.db2.gz HHDJHMMZCBIVLO-UHFFFAOYSA-N -1 1 418.943 4.046 20 0 HIADMM O=C(Nc1ccc(C(=O)N(C2CC2)C2CCCC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000538789428 938712270 /nfs/dbraw/zinc/71/22/70/938712270.db2.gz KNENARQWAHLODA-UHFFFAOYSA-N -1 1 400.425 4.470 20 0 HIADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)c1 ZINC000538842793 938723816 /nfs/dbraw/zinc/72/38/16/938723816.db2.gz QKCBTWMOCPGPLP-UHFFFAOYSA-N -1 1 414.980 4.216 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Nc2ccccc2)o1 ZINC000539707299 938907860 /nfs/dbraw/zinc/90/78/60/938907860.db2.gz AWUIAYNASDREOB-UHFFFAOYSA-N -1 1 413.499 4.352 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2(C3CC3)CC2)c([O-])c1)c1cccc(Br)c1 ZINC000539882092 938965258 /nfs/dbraw/zinc/96/52/58/938965258.db2.gz ZSJFOGYAIBRJQM-UHFFFAOYSA-N -1 1 415.287 4.079 20 0 HIADMM Cn1ncc2c1nc(Sc1nc(-c3cccs3)c(-c3cccs3)[nH]1)[n-]c2=O ZINC000539993058 939031878 /nfs/dbraw/zinc/03/18/78/939031878.db2.gz JWECHOZFJACESD-UHFFFAOYSA-N -1 1 412.525 4.400 20 0 HIADMM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000563607631 945225453 /nfs/dbraw/zinc/22/54/53/945225453.db2.gz ADNPTFOHEZDJSO-RBUKOAKNSA-N -1 1 422.934 4.285 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000540236941 939157808 /nfs/dbraw/zinc/15/78/08/939157808.db2.gz OYTMDGNQKYKKGR-SFHVURJKSA-N -1 1 406.573 4.009 20 0 HIADMM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000540250243 939168521 /nfs/dbraw/zinc/16/85/21/939168521.db2.gz CLJZKORDRARRGX-HNNXBMFYSA-N -1 1 415.490 4.055 20 0 HIADMM O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540425077 939244533 /nfs/dbraw/zinc/24/45/33/939244533.db2.gz SFUYNUXSKRFLTB-QMMMGPOBSA-N -1 1 415.828 4.106 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(-c4cccs4)c3)cc2)CC1 ZINC000540647147 939329926 /nfs/dbraw/zinc/32/99/26/939329926.db2.gz GRKIWKHXMXBKMJ-UHFFFAOYSA-N -1 1 413.520 4.421 20 0 HIADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000541496600 939536539 /nfs/dbraw/zinc/53/65/39/939536539.db2.gz YHFICJGODGMUCR-HNNXBMFYSA-N -1 1 420.481 4.194 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCCn2c3ccccc3c3ccccc32)c(=O)[n-]1 ZINC000541498480 939536962 /nfs/dbraw/zinc/53/69/62/939536962.db2.gz XJWNXDYIMASMBA-UHFFFAOYSA-N -1 1 420.538 4.069 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000541510282 939540553 /nfs/dbraw/zinc/54/05/53/939540553.db2.gz HFVMTNCCIZVFDQ-INIZCTEOSA-N -1 1 400.544 4.304 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C[C@@H]2CC=CCC2)c1 ZINC000541531983 939545584 /nfs/dbraw/zinc/54/55/84/939545584.db2.gz WDDGLASFCOEMCB-QGZVFWFLSA-N -1 1 416.518 4.363 20 0 HIADMM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cc(Br)sc2Cl)s1 ZINC000541808945 939639753 /nfs/dbraw/zinc/63/97/53/939639753.db2.gz HYKYOVRVTJKRPV-LURJTMIESA-N -1 1 415.787 4.011 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)cc1C ZINC000541864164 939647867 /nfs/dbraw/zinc/64/78/67/939647867.db2.gz LBBNMWCDXNMECD-UHFFFAOYSA-N -1 1 421.849 4.076 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnc3c(c2)CCCC3)cc1 ZINC000542075980 939703172 /nfs/dbraw/zinc/70/31/72/939703172.db2.gz WBOVDLKXXOFKPZ-UHFFFAOYSA-N -1 1 421.522 4.322 20 0 HIADMM CC(C)n1ncc2ccc([N-]S(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)cc21 ZINC000542232918 939767090 /nfs/dbraw/zinc/76/70/90/939767090.db2.gz AILYDRMJSSRTPH-UHFFFAOYSA-N -1 1 414.462 4.353 20 0 HIADMM O=S(=O)([N-][C@H](c1cccc(F)c1F)C(F)(F)F)c1cccc2cccnc21 ZINC000542241361 939770825 /nfs/dbraw/zinc/77/08/25/939770825.db2.gz XYJKBNJWSSZUGB-MRXNPFEDSA-N -1 1 402.344 4.095 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2CC(F)(F)F)c1 ZINC000542657454 939852070 /nfs/dbraw/zinc/85/20/70/939852070.db2.gz ZOUUQXCFMLTEBB-UHFFFAOYSA-N -1 1 419.359 4.298 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000563740929 945276960 /nfs/dbraw/zinc/27/69/60/945276960.db2.gz SWKFMCPPYXRHFL-UHFFFAOYSA-N -1 1 422.916 4.030 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000542918159 939877349 /nfs/dbraw/zinc/87/73/49/939877349.db2.gz WIQYKKCPWAHZMV-UHFFFAOYSA-N -1 1 420.488 4.077 20 0 HIADMM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000543345245 940036625 /nfs/dbraw/zinc/03/66/25/940036625.db2.gz LCDJGUXPTXQZQE-MRXNPFEDSA-N -1 1 404.507 4.135 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccc3c(c2)COC3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000543539045 940098642 /nfs/dbraw/zinc/09/86/42/940098642.db2.gz LOPVKEXKURBONK-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM CC(C)CCc1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000543658613 940152973 /nfs/dbraw/zinc/15/29/73/940152973.db2.gz MESLQLVYKLDIKJ-UHFFFAOYSA-N -1 1 412.555 4.301 20 0 HIADMM COc1cc(NC(=O)N(Cc2ccoc2)C2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000543829458 940200882 /nfs/dbraw/zinc/20/08/82/940200882.db2.gz QGCZTCBFGWGZHT-UHFFFAOYSA-N -1 1 421.519 4.027 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@@H]1CCCCS1 ZINC000544018403 940300898 /nfs/dbraw/zinc/30/08/98/940300898.db2.gz UAHXPFXMBQLKGV-KRWDZBQOSA-N -1 1 410.948 4.365 20 0 HIADMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000544098319 940326279 /nfs/dbraw/zinc/32/62/79/940326279.db2.gz IXUSTELOZPQEAJ-UHFFFAOYSA-N -1 1 401.463 4.479 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccc(OCC(F)F)cc1 ZINC000544098887 940326303 /nfs/dbraw/zinc/32/63/03/940326303.db2.gz FGDDCEIFTSDVSU-UHFFFAOYSA-N -1 1 406.410 4.319 20 0 HIADMM Cc1ccc(Cc2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)n2)cn1 ZINC000544210460 940355296 /nfs/dbraw/zinc/35/52/96/940355296.db2.gz CBCWNDVYIVQPAS-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1ccc([C@H]2CCN(C(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)C2)cc1 ZINC000544316923 940388414 /nfs/dbraw/zinc/38/84/14/940388414.db2.gz RFCLHLCUMRSLMT-NRFANRHFSA-N -1 1 420.534 4.426 20 0 HIADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000544378363 940406489 /nfs/dbraw/zinc/40/64/89/940406489.db2.gz PMIHMCKDQCUAEG-UHFFFAOYSA-N -1 1 417.874 4.298 20 0 HIADMM CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)c3ccccc3Cn3ccnc3)ccc2o1 ZINC000544735811 940509044 /nfs/dbraw/zinc/50/90/44/940509044.db2.gz FMOZHWNSNONDHZ-UHFFFAOYSA-N -1 1 424.526 4.462 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N(Cc1ccco1)Cc1ccco1 ZINC000544825780 940517848 /nfs/dbraw/zinc/51/78/48/940517848.db2.gz NTPKYWCSEGDKRS-UHFFFAOYSA-N -1 1 423.206 4.025 20 0 HIADMM CS[C@H]1CCCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000544892466 940522416 /nfs/dbraw/zinc/52/24/16/940522416.db2.gz LMGKLMXKNWJTMQ-SFHVURJKSA-N -1 1 419.572 4.237 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000563937304 945328611 /nfs/dbraw/zinc/32/86/11/945328611.db2.gz CJTDDHLLTAMMTC-UHFFFAOYSA-N -1 1 421.328 4.343 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@H]3Cc4ccccc43)no2)cc1)c1ccc(F)cc1 ZINC000544985381 940530965 /nfs/dbraw/zinc/53/09/65/940530965.db2.gz QCWPUZVBPJBRON-FQEVSTJZSA-N -1 1 421.453 4.365 20 0 HIADMM CSc1nc(C)c(CCc2nc(Cc3c[nH]c4ccc(Cl)cc34)no2)c(=O)[n-]1 ZINC000545026283 940534723 /nfs/dbraw/zinc/53/47/23/940534723.db2.gz FLPJYHMPQYQEIP-UHFFFAOYSA-N -1 1 415.906 4.106 20 0 HIADMM C[C@@H](c1noc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)n1)C1CC1 ZINC000545092729 940541749 /nfs/dbraw/zinc/54/17/49/940541749.db2.gz YRHOOPWOEUXYED-LLVKDONJSA-N -1 1 405.426 4.329 20 0 HIADMM CCOc1cc(C(=O)N(CCCC(=O)OC)Cc2ccccc2)cc(Cl)c1[O-] ZINC000545137851 940547966 /nfs/dbraw/zinc/54/79/66/940547966.db2.gz KGAWKCQZNATAGG-UHFFFAOYSA-N -1 1 405.878 4.040 20 0 HIADMM CCOC(=O)C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)c1ccc(F)cc1 ZINC000545169099 940553686 /nfs/dbraw/zinc/55/36/86/940553686.db2.gz WCYJFHAEWDNJJB-MRXNPFEDSA-N -1 1 409.841 4.008 20 0 HIADMM O=C(c1cc(F)ccc1Sc1ccc(Cl)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000545418847 940569059 /nfs/dbraw/zinc/56/90/59/940569059.db2.gz XMJSVGSDPSJNJC-GFCCVEGCSA-N -1 1 417.897 4.163 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nc(CC)no3)c2)cc1 ZINC000545524213 940573069 /nfs/dbraw/zinc/57/30/69/940573069.db2.gz SWIJOUGETKTMOB-UHFFFAOYSA-N -1 1 407.879 4.152 20 0 HIADMM CCc1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000545524129 940573108 /nfs/dbraw/zinc/57/31/08/940573108.db2.gz QUGFXBCMDAEEOB-UHFFFAOYSA-N -1 1 412.298 4.330 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccn4)no3)ccc2C)cc1 ZINC000545550058 940574385 /nfs/dbraw/zinc/57/43/85/940574385.db2.gz WEKXCSOSECGGIO-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4cc(C)ccn4)no3)cc2)cc1 ZINC000545584879 940575857 /nfs/dbraw/zinc/57/58/57/940575857.db2.gz KTOOZDCUYVIBOI-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM CC(C)CCc1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000545708175 940581766 /nfs/dbraw/zinc/58/17/66/940581766.db2.gz YNUJJARBJMHPKB-UHFFFAOYSA-N -1 1 403.479 4.189 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc(Cl)c1[O-] ZINC000545846895 940631059 /nfs/dbraw/zinc/63/10/59/940631059.db2.gz UJEDTGQFLJAEEU-SECBINFHSA-N -1 1 419.831 4.311 20 0 HIADMM CCOc1cc(C(=O)NCc2cccc(COC3CCOCC3)c2)cc(Cl)c1[O-] ZINC000545854771 940637709 /nfs/dbraw/zinc/63/77/09/940637709.db2.gz UHRJFWVBSRPOPV-UHFFFAOYSA-N -1 1 419.905 4.070 20 0 HIADMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3Cn3ccnc3)[nH]n2)cc1 ZINC000546088624 940696427 /nfs/dbraw/zinc/69/64/27/940696427.db2.gz WPEZGDWLUBCUKQ-UHFFFAOYSA-N -1 1 421.526 4.075 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H]1CCCc2occc21 ZINC000546217832 940732221 /nfs/dbraw/zinc/73/22/21/940732221.db2.gz QNVPVYBPZJJFTI-IBGZPJMESA-N -1 1 411.483 4.280 20 0 HIADMM CC(=O)c1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1Cl ZINC000546267968 940753908 /nfs/dbraw/zinc/75/39/08/940753908.db2.gz SYDYVULAAGTRHT-UHFFFAOYSA-N -1 1 415.614 4.105 20 0 HIADMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)ccc21 ZINC000564012742 945349288 /nfs/dbraw/zinc/34/92/88/945349288.db2.gz MGPZQMIBPTYRJP-UHFFFAOYSA-N -1 1 412.433 4.114 20 0 HIADMM COCCCCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n1 ZINC000546391647 940808754 /nfs/dbraw/zinc/80/87/54/940808754.db2.gz QUHAKAHQTCEABW-UHFFFAOYSA-N -1 1 415.515 4.123 20 0 HIADMM C[C@H](c1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1)C1CC1 ZINC000546508292 940839194 /nfs/dbraw/zinc/83/91/94/940839194.db2.gz WNJYCLPURZIAOG-ZDUSSCGKSA-N -1 1 401.463 4.114 20 0 HIADMM CCOc1cc(C(=O)NCCNc2cccc(Br)c2)cc(Cl)c1[O-] ZINC000546556418 940851934 /nfs/dbraw/zinc/85/19/34/940851934.db2.gz QQJKDXSSPMMUJL-UHFFFAOYSA-N -1 1 413.699 4.049 20 0 HIADMM CCOc1cc(C(=O)NCCCc2ccc(OC)c(OCC)c2)cc(Cl)c1[O-] ZINC000546562868 940854351 /nfs/dbraw/zinc/85/43/51/940854351.db2.gz MXQKXXVJUYNOSL-UHFFFAOYSA-N -1 1 407.894 4.214 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000546563818 940854397 /nfs/dbraw/zinc/85/43/97/940854397.db2.gz KOUQHVJTULGVNS-AWEZNQCLSA-N -1 1 409.841 4.394 20 0 HIADMM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000546876422 940899606 /nfs/dbraw/zinc/89/96/06/940899606.db2.gz CSKVVBNKFNKZRG-INIZCTEOSA-N -1 1 424.282 4.093 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1OC(C)C ZINC000546885429 940900388 /nfs/dbraw/zinc/90/03/88/940900388.db2.gz LOGNAQAYRLTJPJ-UHFFFAOYSA-N -1 1 418.284 4.185 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CC[C@H]1Cc1ccccc1 ZINC000546924918 940914515 /nfs/dbraw/zinc/91/45/15/940914515.db2.gz OJDHIYBLKQCGFU-NRFANRHFSA-N -1 1 421.522 4.336 20 0 HIADMM CC[C@H](C)Oc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000547164108 941017642 /nfs/dbraw/zinc/01/76/42/941017642.db2.gz VEFZMENDXKQSFN-QWHCGFSZSA-N -1 1 407.517 4.015 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc(Cl)c1[O-] ZINC000547257554 941045771 /nfs/dbraw/zinc/04/57/71/941045771.db2.gz MIJBYWPMQQTRDN-INIZCTEOSA-N -1 1 401.850 4.424 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(C)cc(Br)c2O)cc(Cl)c1[O-] ZINC000547262173 941046850 /nfs/dbraw/zinc/04/68/50/941046850.db2.gz PCSNJJOOBUPCRL-UHFFFAOYSA-N -1 1 400.656 4.473 20 0 HIADMM CCOc1cc(C(=O)N2Cc3ccccc3C[C@@H]2c2nnc(C)o2)cc(Cl)c1[O-] ZINC000547267177 941048760 /nfs/dbraw/zinc/04/87/60/941048760.db2.gz FBEWZLBXUNQDLA-QGZVFWFLSA-N -1 1 413.861 4.076 20 0 HIADMM CCOc1cc(C(=O)N(CC)CC2CCN(c3ccccn3)CC2)cc(Cl)c1[O-] ZINC000547270275 941048974 /nfs/dbraw/zinc/04/89/74/941048974.db2.gz RAHWDORQRCXYNP-UHFFFAOYSA-N -1 1 417.937 4.218 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc(Cl)c1[O-] ZINC000547291004 941053164 /nfs/dbraw/zinc/05/31/64/941053164.db2.gz ZEDXGYJUKDWYSM-UHFFFAOYSA-N -1 1 415.833 4.245 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc(Cl)c1[O-] ZINC000547291814 941053904 /nfs/dbraw/zinc/05/39/04/941053904.db2.gz KDFRCAHHVYGDLB-UHFFFAOYSA-N -1 1 404.894 4.391 20 0 HIADMM O=C([O-])c1cc(NS(=O)(=O)c2c[nH]c3nccc(Cl)c32)cc(Cl)c1Cl ZINC000547914521 941079412 /nfs/dbraw/zinc/07/94/12/941079412.db2.gz LCTODZOZSKGIHB-UHFFFAOYSA-N -1 1 420.661 4.022 20 0 HIADMM CCc1c(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cnn1-c1ccc(C)cc1 ZINC000548108861 941087118 /nfs/dbraw/zinc/08/71/18/941087118.db2.gz DCOOKWPRAAAOOZ-UHFFFAOYSA-N -1 1 422.876 4.140 20 0 HIADMM CCc1c(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cnn1-c1ccc(C)cc1 ZINC000548108861 941087121 /nfs/dbraw/zinc/08/71/21/941087121.db2.gz DCOOKWPRAAAOOZ-UHFFFAOYSA-N -1 1 422.876 4.140 20 0 HIADMM O=C(Nc1cccc2cc[nH]c21)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000548471913 941106399 /nfs/dbraw/zinc/10/63/99/941106399.db2.gz QQAUWPYKGLBWRU-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM O=C(Cc1cnc2ccccc2c1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000548583318 941113306 /nfs/dbraw/zinc/11/33/06/941113306.db2.gz RQEFRSMJYDICSW-UHFFFAOYSA-N -1 1 417.490 4.217 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000548777650 941123692 /nfs/dbraw/zinc/12/36/92/941123692.db2.gz QASWBRMTQVTXOK-UHFFFAOYSA-N -1 1 406.530 4.003 20 0 HIADMM Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1 ZINC000549110885 941160778 /nfs/dbraw/zinc/16/07/78/941160778.db2.gz CANHRAARZYBQAI-UHFFFAOYSA-N -1 1 404.875 4.223 20 0 HIADMM COc1cccc(-c2nsc(NC([O-])=C(C)c3ccc(C(=O)C(C)C)cc3)n2)c1 ZINC000549301256 941178396 /nfs/dbraw/zinc/17/83/96/941178396.db2.gz SCHMHJSFAOMRCJ-AWEZNQCLSA-N -1 1 409.511 4.217 20 0 HIADMM Cn1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)c2ccc(F)cc2)c(C(F)(F)F)n1 ZINC000549318419 941179640 /nfs/dbraw/zinc/17/96/40/941179640.db2.gz YWGHVYHUJSGJCA-CYBMUJFWSA-N -1 1 407.433 4.034 20 0 HIADMM O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000549584280 941200430 /nfs/dbraw/zinc/20/04/30/941200430.db2.gz GESUVAMYXNAFMS-UHFFFAOYSA-N -1 1 415.449 4.379 20 0 HIADMM O=S(=O)([N-]C1(Cc2ccc(F)cc2Cl)CCOCC1)c1cc2ccccc2o1 ZINC000549941301 941244013 /nfs/dbraw/zinc/24/40/13/941244013.db2.gz KDFKKOYOTOBXCS-UHFFFAOYSA-N -1 1 423.893 4.296 20 0 HIADMM O=C([O-])[C@@H](NCc1cnn(-c2ccc(Br)cc2)c1)c1cccc(Cl)c1 ZINC000551054959 941401893 /nfs/dbraw/zinc/40/18/93/941401893.db2.gz GVCNXEQVCQKGFG-KRWDZBQOSA-N -1 1 420.694 4.204 20 0 HIADMM O=C([O-])[C@]1(NCc2cc(Br)c(Cl)s2)CCc2c1cccc2F ZINC000551056013 941401954 /nfs/dbraw/zinc/40/19/54/941401954.db2.gz ZNCQRNQTQQIYDK-HNNXBMFYSA-N -1 1 404.688 4.319 20 0 HIADMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c1F ZINC000551113347 941412040 /nfs/dbraw/zinc/41/20/40/941412040.db2.gz UXVHXYHXUHHXKK-UHFFFAOYSA-N -1 1 403.834 4.329 20 0 HIADMM Cc1c(Br)cc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000551117232 941413189 /nfs/dbraw/zinc/41/31/89/941413189.db2.gz WOHOXDMOKIMWSI-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM O=C(Cc1coc2ccccc12)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000551976975 941564574 /nfs/dbraw/zinc/56/45/74/941564574.db2.gz OKJKWQTWHGCBNE-UHFFFAOYSA-N -1 1 420.490 4.093 20 0 HIADMM O=C(CCc1nnc(-c2ccccc2)o1)Nc1c([O-])cc(Br)cc1Cl ZINC000552022744 941570005 /nfs/dbraw/zinc/57/00/05/941570005.db2.gz XRBYBRXKKYBXKD-UHFFFAOYSA-N -1 1 422.666 4.429 20 0 HIADMM CCc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000552483997 941684571 /nfs/dbraw/zinc/68/45/71/941684571.db2.gz VBOUUPJLXSAYCX-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000553010842 941815665 /nfs/dbraw/zinc/81/56/65/941815665.db2.gz BOUZBKDRWZBDIT-RYUDHWBXSA-N -1 1 417.289 4.246 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000553579560 941913739 /nfs/dbraw/zinc/91/37/39/941913739.db2.gz LIZULPQNDSAXHX-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM O=c1cc(C(F)(F)F)nc(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)[n-]1 ZINC000554085033 942033507 /nfs/dbraw/zinc/03/35/07/942033507.db2.gz ZTJQAGDAUINMQN-UHFFFAOYSA-N -1 1 410.396 4.307 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000554359984 942112808 /nfs/dbraw/zinc/11/28/08/942112808.db2.gz LXWNFCXDWCRQRC-UHFFFAOYSA-N -1 1 416.525 4.459 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)c[nH]2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000554970997 942338363 /nfs/dbraw/zinc/33/83/63/942338363.db2.gz DGNZOMRAJOJTRD-UHFFFAOYSA-N -1 1 407.854 4.169 20 0 HIADMM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-]c1cc(C2CC2)ccn1 ZINC000555144116 942403141 /nfs/dbraw/zinc/40/31/41/942403141.db2.gz BOHZJLRQMKLDAM-UHFFFAOYSA-N -1 1 401.713 4.317 20 0 HIADMM O=C(Nc1nnc(SCc2ccc(F)cc2)s1)Nc1ccc([O-])c(Cl)c1 ZINC000555504333 942607844 /nfs/dbraw/zinc/60/78/44/942607844.db2.gz VBACBZXVGSWLBN-UHFFFAOYSA-N -1 1 410.883 4.973 20 0 HIADMM O=C([O-])[C@H](NCc1ccc(OCC(F)F)cc1)c1ccccc1Br ZINC000555614972 942671945 /nfs/dbraw/zinc/67/19/45/942671945.db2.gz AMGIMVSOKHPOES-MRXNPFEDSA-N -1 1 400.219 4.009 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3cccc(C)c3)cc2)cc1 ZINC000555735412 942716794 /nfs/dbraw/zinc/71/67/94/942716794.db2.gz KAFQQPPVQSAQLT-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM Cc1cc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)ccc1O ZINC000556008326 942784868 /nfs/dbraw/zinc/78/48/68/942784868.db2.gz CIRSAYAJOPCQBN-UHFFFAOYSA-N -1 1 407.451 4.218 20 0 HIADMM CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c(=O)c3c2)c1 ZINC000556350915 942848272 /nfs/dbraw/zinc/84/82/72/942848272.db2.gz PAKVKFQJIHPJET-UHFFFAOYSA-N -1 1 420.874 4.216 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cccc(Cn2ccnc2)c1 ZINC000556845879 942938463 /nfs/dbraw/zinc/93/84/63/942938463.db2.gz DHAVTYVDQMJWPM-UHFFFAOYSA-N -1 1 406.667 4.305 20 0 HIADMM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1c([O-])cc(Br)cc1Cl ZINC000556846982 942939035 /nfs/dbraw/zinc/93/90/35/942939035.db2.gz UBPZYAHNVDDVOW-UHFFFAOYSA-N -1 1 407.651 4.243 20 0 HIADMM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000556973370 942985284 /nfs/dbraw/zinc/98/52/84/942985284.db2.gz LQYMNHPUXOBJFM-UHFFFAOYSA-N -1 1 411.874 4.393 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)cc1Cl ZINC000558044403 943364809 /nfs/dbraw/zinc/36/48/09/943364809.db2.gz ODGQFKDEKSLBLE-UHFFFAOYSA-N -1 1 409.891 4.217 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC(c2ccncc2)CC1 ZINC000558567943 943602519 /nfs/dbraw/zinc/60/25/19/943602519.db2.gz VROJEISEQIMGBI-UHFFFAOYSA-N -1 1 412.287 4.118 20 0 HIADMM COc1c(Br)c(C)sc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000560314532 944225413 /nfs/dbraw/zinc/22/54/13/944225413.db2.gz BRNHBAPOJGAABD-UHFFFAOYSA-N -1 1 408.277 4.176 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC=C(c4ccco4)C3)cc2)cc1 ZINC000560722042 944310209 /nfs/dbraw/zinc/31/02/09/944310209.db2.gz JSIYILPOURXIKO-UHFFFAOYSA-N -1 1 422.506 4.318 20 0 HIADMM COc1cc(C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc(Cl)c1[O-] ZINC000561225544 944519164 /nfs/dbraw/zinc/51/91/64/944519164.db2.gz OWATZNKMOPUIHY-AWEZNQCLSA-N -1 1 404.677 4.215 20 0 HIADMM COc1cc(C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc(Cl)c1[O-] ZINC000561225548 944519637 /nfs/dbraw/zinc/51/96/37/944519637.db2.gz OWATZNKMOPUIHY-CQSZACIVSA-N -1 1 404.677 4.215 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000561566999 944677693 /nfs/dbraw/zinc/67/76/93/944677693.db2.gz XIFDFLFUNLGNBP-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM COc1cc(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc(Cl)c1[O-] ZINC000561570730 944680452 /nfs/dbraw/zinc/68/04/52/944680452.db2.gz IMBMCDBJOBKWJV-UHFFFAOYSA-N -1 1 403.862 4.025 20 0 HIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cc(Br)ccc3C)c2)n1 ZINC000561627691 944716781 /nfs/dbraw/zinc/71/67/81/944716781.db2.gz CUGBGFMQLYTYAH-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM CSc1cccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)n1 ZINC000561769574 944789302 /nfs/dbraw/zinc/78/93/02/944789302.db2.gz AJVANOHWNKJMTP-UHFFFAOYSA-N -1 1 407.742 4.161 20 0 HIADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)cc1 ZINC000564122144 945388871 /nfs/dbraw/zinc/38/88/71/945388871.db2.gz OLXBPSCDKXEQAL-ARJAWSKDSA-N -1 1 409.305 4.241 20 0 HIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)N(Cc1ccco1)Cc1ccccc1 ZINC000564383935 945546297 /nfs/dbraw/zinc/54/62/97/945546297.db2.gz BGQRQAWMNFIMHT-UHFFFAOYSA-N -1 1 405.426 4.034 20 0 HIADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)c1 ZINC000564555363 945676109 /nfs/dbraw/zinc/67/61/09/945676109.db2.gz XWTYHFDLLVOALX-UHFFFAOYSA-N -1 1 417.527 4.052 20 0 HIADMM O=C1NC(CC(F)(F)F)C(=O)N1c1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000565103966 945774642 /nfs/dbraw/zinc/77/46/42/945774642.db2.gz MVKGRDPCXFYGDU-LLVKDONJSA-N -1 1 423.338 4.130 20 0 HIADMM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000565103966 945774651 /nfs/dbraw/zinc/77/46/51/945774651.db2.gz MVKGRDPCXFYGDU-LLVKDONJSA-N -1 1 423.338 4.130 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3nc(C)no3)ccc2C)cc1Cl ZINC000565517892 945844638 /nfs/dbraw/zinc/84/46/38/945844638.db2.gz VJUIPSPLQPUSRK-UHFFFAOYSA-N -1 1 407.879 4.125 20 0 HIADMM CCOc1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc(Cl)c1[O-] ZINC000565687218 945868086 /nfs/dbraw/zinc/86/80/86/945868086.db2.gz GGVNCSPXQJVXOR-UHFFFAOYSA-N -1 1 422.268 4.120 20 0 HIADMM CCc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000565766420 945881161 /nfs/dbraw/zinc/88/11/61/945881161.db2.gz IIDOEOPCOCFTCY-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM CC(C)[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1cccc2ncccc21 ZINC000566590024 946050019 /nfs/dbraw/zinc/05/00/19/946050019.db2.gz RDAHEKWBTFRPND-MRXNPFEDSA-N -1 1 404.442 4.423 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000566759441 946089942 /nfs/dbraw/zinc/08/99/42/946089942.db2.gz IVKAQGAICFNAAE-UHFFFAOYSA-N -1 1 406.507 4.151 20 0 HIADMM CCOc1cc(C(=O)N2CCCN(c3ccccc3Cl)CC2)cc(Cl)c1[O-] ZINC000567140003 946248983 /nfs/dbraw/zinc/24/89/83/946248983.db2.gz GUHQNBRJUSPMRO-UHFFFAOYSA-N -1 1 409.313 4.450 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000567712654 946398745 /nfs/dbraw/zinc/39/87/45/946398745.db2.gz MMYJLHAKJMRMJT-UHFFFAOYSA-N -1 1 422.448 4.282 20 0 HIADMM COc1cc(OC)c(OC)cc1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000568003339 946439850 /nfs/dbraw/zinc/43/98/50/946439850.db2.gz GQCYFNATINNDLA-HNNXBMFYSA-N -1 1 413.392 4.037 20 0 HIADMM Cc1cccc([C@@H](c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)C(C)C)c1 ZINC000569154775 946826614 /nfs/dbraw/zinc/82/66/14/946826614.db2.gz OZGPEQPNGNMKPW-PBHICJAKSA-N -1 1 405.545 4.267 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(F)c2ccccc21 ZINC000570544376 947285390 /nfs/dbraw/zinc/28/53/90/947285390.db2.gz NMXIDOANHWOCBC-CYBMUJFWSA-N -1 1 418.490 4.140 20 0 HIADMM O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000571301976 947582994 /nfs/dbraw/zinc/58/29/94/947582994.db2.gz DKPNROUDZSLCKK-UHFFFAOYSA-N -1 1 413.861 4.027 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1cccc(Br)c1 ZINC000571476446 947664992 /nfs/dbraw/zinc/66/49/92/947664992.db2.gz FBVFIVQHDFRNTL-UHFFFAOYSA-N -1 1 405.273 4.437 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC=C(c2ccccc2F)C1 ZINC000571489343 947679097 /nfs/dbraw/zinc/67/90/97/947679097.db2.gz XTJZCWLVWFFECU-UHFFFAOYSA-N -1 1 413.246 4.381 20 0 HIADMM C[C@H]1CC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000571786045 947780352 /nfs/dbraw/zinc/78/03/52/947780352.db2.gz UBLRVXNSMAWBOU-SJCJKPOMSA-N -1 1 412.433 4.035 20 0 HIADMM C[C@@H]1CC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000571786046 947780944 /nfs/dbraw/zinc/78/09/44/947780944.db2.gz UBLRVXNSMAWBOU-SJKOYZFVSA-N -1 1 412.433 4.035 20 0 HIADMM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000573142385 948087919 /nfs/dbraw/zinc/08/79/19/948087919.db2.gz SLZRVDSHWGUXAQ-QMMMGPOBSA-N -1 1 403.838 4.210 20 0 HIADMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000574550045 948468900 /nfs/dbraw/zinc/46/89/00/948468900.db2.gz LMQXNTBXTNUNOC-CQSZACIVSA-N -1 1 408.470 4.440 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)c(C)c1F ZINC000574599605 948487665 /nfs/dbraw/zinc/48/76/65/948487665.db2.gz QPVCXBGZSYGFJB-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccc3)[nH]c2c1)c1cccnc1C(F)(F)F ZINC000575948297 948794152 /nfs/dbraw/zinc/79/41/52/948794152.db2.gz HOMBRSSSRUCWTJ-UHFFFAOYSA-N -1 1 418.400 4.445 20 0 HIADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000435963841 861224290 /nfs/dbraw/zinc/22/42/90/861224290.db2.gz FDGCBLPASWGFEN-ZWKOTPCHSA-N -1 1 424.444 4.035 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1Br ZINC000436017984 861309949 /nfs/dbraw/zinc/30/99/49/861309949.db2.gz JARQUQTXUOGSGX-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1(C)C ZINC000436104271 861388815 /nfs/dbraw/zinc/38/88/15/861388815.db2.gz UGHTYFSTWDTPCJ-KXBFYZLASA-N -1 1 414.527 4.067 20 0 HIADMM CC(F)(F)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000436162628 861464063 /nfs/dbraw/zinc/46/40/63/861464063.db2.gz SVXRYUAXBAQHEQ-UHFFFAOYSA-N -1 1 420.231 4.060 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1nc(C2CCCCC2)no1 ZINC000436185826 861485495 /nfs/dbraw/zinc/48/54/95/861485495.db2.gz WUNRWYOMUUBKFP-NSHDSACASA-N -1 1 419.425 4.055 20 0 HIADMM Cc1ccc(Sc2ccc(C=CC(=O)c3c([O-])cc(C)oc3=O)cc2[N+](=O)[O-])cc1 ZINC000003334011 845012725 /nfs/dbraw/zinc/01/27/25/845012725.db2.gz HQXHUDLQXXDDHQ-AEVNEEFTSA-N -1 1 423.446 4.283 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cn3cccnc3n2)cc1)c1cccc2ccccc21 ZINC000005130923 845083991 /nfs/dbraw/zinc/08/39/91/845083991.db2.gz GJGCYDFTDDCQTN-UHFFFAOYSA-N -1 1 400.463 4.350 20 0 HIADMM O=C(Nc1nc2ccccc2s1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000005184621 845087648 /nfs/dbraw/zinc/08/76/48/845087648.db2.gz RZBGXYDHXDTGDS-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM CCc1cc2c(COC(=O)c3nc(-c4ccccc4)oc3C)cc(=O)oc2cc1[O-] ZINC000005538627 845123549 /nfs/dbraw/zinc/12/35/49/845123549.db2.gz KCKZXDDBSYSZDU-UHFFFAOYSA-N -1 1 405.406 4.381 20 0 HIADMM O=C(NCc1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000006889832 845220468 /nfs/dbraw/zinc/22/04/68/845220468.db2.gz SLYFNIMAMFIZED-UHFFFAOYSA-N -1 1 400.887 4.071 20 0 HIADMM Cc1cc(F)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006981459 845230546 /nfs/dbraw/zinc/23/05/46/845230546.db2.gz UZMZRVUYXQIGLT-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)ccc1Cl ZINC000007055637 845242295 /nfs/dbraw/zinc/24/22/95/845242295.db2.gz RFCAKZYAWODJNE-UHFFFAOYSA-N -1 1 410.835 4.091 20 0 HIADMM C[C@@H]1c2ccsc2CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000007259333 845297524 /nfs/dbraw/zinc/29/75/24/845297524.db2.gz KRUFTTJGJYEABN-OAHLLOKOSA-N -1 1 412.536 4.308 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 ZINC000007428240 845330249 /nfs/dbraw/zinc/33/02/49/845330249.db2.gz BNVNODPIQNCWCD-UHFFFAOYSA-N -1 1 407.797 4.321 20 0 HIADMM O=C(NC1CCCC1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000008033323 845463892 /nfs/dbraw/zinc/46/38/92/845463892.db2.gz QETNYARIKHHRDS-UHFFFAOYSA-N -1 1 413.326 4.467 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)cc1 ZINC000008033569 845466286 /nfs/dbraw/zinc/46/62/86/845466286.db2.gz MHWJDRAVZBUXSU-IIBYNOLFSA-N -1 1 416.543 4.195 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)Cc2ccsc2)cc1 ZINC000008172587 845484850 /nfs/dbraw/zinc/48/48/50/845484850.db2.gz VDHMRJMBABBJST-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)cc1 ZINC000008287206 845507248 /nfs/dbraw/zinc/50/72/48/845507248.db2.gz KSGFNURXOWZXLF-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000008289598 845508231 /nfs/dbraw/zinc/50/82/31/845508231.db2.gz KBFQCUGFNNBIAE-UHFFFAOYSA-N -1 1 400.422 4.036 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1F ZINC000008291814 845509429 /nfs/dbraw/zinc/50/94/29/845509429.db2.gz YQLVETJOQWZFDF-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1cnc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)s1 ZINC000010556607 845674502 /nfs/dbraw/zinc/67/45/02/845674502.db2.gz RHTZKQBMIIJADY-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM COc1ccc2cc(CNC(=O)Cn3c(=S)[n-]nc3-c3ccc(C)cc3)ccc2c1 ZINC000011125889 845757579 /nfs/dbraw/zinc/75/75/79/845757579.db2.gz GIVQDMUMFYYSNF-UHFFFAOYSA-N -1 1 418.522 4.394 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N3CCCC3)c(C)c2)c1 ZINC000011326046 845779845 /nfs/dbraw/zinc/77/98/45/845779845.db2.gz QAJOSDHXXGZBPR-UHFFFAOYSA-N -1 1 407.543 4.463 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000011718549 845828871 /nfs/dbraw/zinc/82/88/71/845828871.db2.gz WEMFOJPNCYLWSY-UHFFFAOYSA-N -1 1 409.515 4.149 20 0 HIADMM Cc1nn(Cc2ccccc2)c2sc(C(=O)[N-]NC(=O)c3ccc(Cl)cc3)cc12 ZINC000014906046 845991667 /nfs/dbraw/zinc/99/16/67/845991667.db2.gz RVPOFHUFWPHSQL-UHFFFAOYSA-N -1 1 424.913 4.183 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000015339962 846036890 /nfs/dbraw/zinc/03/68/90/846036890.db2.gz GZUHAHIHWVMNDQ-QGZVFWFLSA-N -1 1 424.522 4.377 20 0 HIADMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015353192 846038862 /nfs/dbraw/zinc/03/88/62/846038862.db2.gz RQXGLHLYRAICKX-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000015417986 846046034 /nfs/dbraw/zinc/04/60/34/846046034.db2.gz CNRKXRUIFBEYMW-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1ccc(F)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000015541347 846060265 /nfs/dbraw/zinc/06/02/65/846060265.db2.gz LMVATOSJHAROFG-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CCc2ccccc21 ZINC000015563568 846062793 /nfs/dbraw/zinc/06/27/93/846062793.db2.gz JLHHCKGGQZFXIW-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(F)c1 ZINC000015567544 846063944 /nfs/dbraw/zinc/06/39/44/846063944.db2.gz CKDFGNFJHLVFMN-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COc1ccccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015744115 846088933 /nfs/dbraw/zinc/08/89/33/846088933.db2.gz GMGHIFWZZDKUMZ-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000015797326 846091899 /nfs/dbraw/zinc/09/18/99/846091899.db2.gz HJHDOMASZDASLY-LIRRHRJNSA-N -1 1 404.507 4.243 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)ccc1F ZINC000015797324 846092122 /nfs/dbraw/zinc/09/21/22/846092122.db2.gz XUPGUJGVHOHZFW-VBKZILBWSA-N -1 1 404.507 4.243 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2)cc1 ZINC000015792116 846092176 /nfs/dbraw/zinc/09/21/76/846092176.db2.gz ROYIKWWOYNJTBT-CKJXQJPGSA-N -1 1 416.543 4.051 20 0 HIADMM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015797292 846092317 /nfs/dbraw/zinc/09/23/17/846092317.db2.gz KVAMVZDGWDYFTB-BFUOFWGJSA-N -1 1 408.470 4.074 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)COc3ccccc3)ccc2C)c1 ZINC000015950437 846104359 /nfs/dbraw/zinc/10/43/59/846104359.db2.gz ZSIARDANTRNHNX-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccc3F)c2)c1 ZINC000015976834 846106235 /nfs/dbraw/zinc/10/62/35/846106235.db2.gz GMLXOBSDGMOACK-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM O=C(Nc1cc(F)cc(F)c1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000016305198 846151161 /nfs/dbraw/zinc/15/11/61/846151161.db2.gz MBYSCWVBTWMBMD-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1Cl ZINC000016639846 846192932 /nfs/dbraw/zinc/19/29/32/846192932.db2.gz SXVDIUATALHUTA-UHFFFAOYSA-N -1 1 401.315 4.242 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1 ZINC000016645207 846194131 /nfs/dbraw/zinc/19/41/31/846194131.db2.gz DUAQFHYONQFUMD-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM Cn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000016727706 846203004 /nfs/dbraw/zinc/20/30/04/846203004.db2.gz JZGXXTMSVXSJHE-UHFFFAOYSA-N -1 1 408.504 4.343 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)CC[C@H]3C)cc2)cc1 ZINC000436341912 861654339 /nfs/dbraw/zinc/65/43/39/861654339.db2.gz HJXPIBJLNHQPQU-IAGOWNOFSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c1 ZINC000017167230 846234959 /nfs/dbraw/zinc/23/49/59/846234959.db2.gz ORPIYOUCAVUSPM-IAGOWNOFSA-N -1 1 400.544 4.222 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000017305457 846242980 /nfs/dbraw/zinc/24/29/80/846242980.db2.gz ZKVXWFGJSWRTMK-UHFFFAOYSA-N -1 1 424.566 4.494 20 0 HIADMM O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000017357310 846249875 /nfs/dbraw/zinc/24/98/75/846249875.db2.gz NPARCBMISATAGM-UHFFFAOYSA-N -1 1 410.898 4.342 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CCc3ccco3)c2)cc1 ZINC000017798159 846269957 /nfs/dbraw/zinc/26/99/57/846269957.db2.gz NNAGVIITKTZKLL-KRWDZBQOSA-N -1 1 412.511 4.140 20 0 HIADMM CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000017802414 846270156 /nfs/dbraw/zinc/27/01/56/846270156.db2.gz HKODTVWKQWFZLN-UHFFFAOYSA-N -1 1 400.525 4.211 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](C)c3ccccc3)c2)cc1 ZINC000017849410 846273860 /nfs/dbraw/zinc/27/38/60/846273860.db2.gz HEZJAOKTKCJNJK-QGZVFWFLSA-N -1 1 424.522 4.030 20 0 HIADMM CC(C)Cc1nnc([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1 ZINC000021054486 846401475 /nfs/dbraw/zinc/40/14/75/846401475.db2.gz KLNKYTDKHOSDKX-UHFFFAOYSA-N -1 1 404.499 4.237 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CC[C@H]3C)cc2)cc1 ZINC000436355985 861682239 /nfs/dbraw/zinc/68/22/39/861682239.db2.gz FLRLMKKCTPFCRQ-IAGOWNOFSA-N -1 1 416.543 4.147 20 0 HIADMM CC(C)Cc1nnc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1 ZINC000021747395 846490549 /nfs/dbraw/zinc/49/05/49/846490549.db2.gz NVMBIVSTZPWACL-UHFFFAOYSA-N -1 1 410.528 4.298 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1Cl ZINC000021869034 846505824 /nfs/dbraw/zinc/50/58/24/846505824.db2.gz IYYZONPIGBPHPM-UHFFFAOYSA-N -1 1 423.922 4.084 20 0 HIADMM CCCCOCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000021900525 846508959 /nfs/dbraw/zinc/50/89/59/846508959.db2.gz DYMPFOSXHYKPRS-UHFFFAOYSA-N -1 1 424.950 4.077 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N(Cc1ccccc1F)C1CC1 ZINC000021934871 846512752 /nfs/dbraw/zinc/51/27/52/846512752.db2.gz YWKNFVCPZUFGAZ-UHFFFAOYSA-N -1 1 424.497 4.431 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCn2ccc3ccccc32)cc1 ZINC000021970808 846515741 /nfs/dbraw/zinc/51/57/41/846515741.db2.gz BEJPKSTUVZOYSO-UHFFFAOYSA-N -1 1 419.554 4.467 20 0 HIADMM CCOc1ccc(CC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000022001753 846518651 /nfs/dbraw/zinc/51/86/51/846518651.db2.gz BYCLROOGBFEGHV-UHFFFAOYSA-N -1 1 420.490 4.336 20 0 HIADMM COc1cccc(-c2nnc(SCC(=O)c3ccc([O-])cc3)n2Cc2ccco2)c1 ZINC000022042444 846524245 /nfs/dbraw/zinc/52/42/45/846524245.db2.gz KFSLPIUGTYPKNX-UHFFFAOYSA-N -1 1 421.478 4.276 20 0 HIADMM COc1ccc(OC)c(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1 ZINC000022091219 846530722 /nfs/dbraw/zinc/53/07/22/846530722.db2.gz PLNHGIVVKROJBX-UHFFFAOYSA-N -1 1 422.462 4.026 20 0 HIADMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000022195082 846543597 /nfs/dbraw/zinc/54/35/97/846543597.db2.gz MIWHQKNMDJKADZ-LBPRGKRZSA-N -1 1 408.738 4.315 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000022192506 846543782 /nfs/dbraw/zinc/54/37/82/846543782.db2.gz COHJXTDNEKMZQZ-SECBINFHSA-N -1 1 400.331 4.329 20 0 HIADMM Cc1cc(/C=C/C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c(C)n1C1CCCCC1 ZINC000022216836 846546978 /nfs/dbraw/zinc/54/69/78/846546978.db2.gz UOLDMDCRXQFTOA-BUHFOSPRSA-N -1 1 408.498 4.123 20 0 HIADMM CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000022356734 846560604 /nfs/dbraw/zinc/56/06/04/846560604.db2.gz LEXQCBKZMQTMPD-UHFFFAOYSA-N -1 1 401.890 4.325 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)cc1 ZINC000022651196 846597951 /nfs/dbraw/zinc/59/79/51/846597951.db2.gz PFZWZYWHLOLMMH-UHFFFAOYSA-N -1 1 414.527 4.116 20 0 HIADMM CC(C)(C)c1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000022744340 846613489 /nfs/dbraw/zinc/61/34/89/846613489.db2.gz MSIVDSMCDOGWKP-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000022748304 846614910 /nfs/dbraw/zinc/61/49/10/846614910.db2.gz RLOLVZVUNYUKJY-UHFFFAOYSA-N -1 1 421.526 4.072 20 0 HIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)n1 ZINC000022931043 846638809 /nfs/dbraw/zinc/63/88/09/846638809.db2.gz UZBTVQSXHFTJRH-LBPRGKRZSA-N -1 1 424.364 4.036 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000436365838 861702763 /nfs/dbraw/zinc/70/27/63/861702763.db2.gz NCERROIGLDXJSC-HOCLYGCPSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)O[C@H](C)C#N)c1 ZINC000023417082 846698891 /nfs/dbraw/zinc/69/88/91/846698891.db2.gz BBKBVYZXPWEMDT-OAHLLOKOSA-N -1 1 400.500 4.162 20 0 HIADMM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3ccc(F)cc3)s2)C1=O ZINC000023954211 846762063 /nfs/dbraw/zinc/76/20/63/846762063.db2.gz BCAPXHIOYCCEKG-QFIPXVFZSA-N -1 1 423.469 4.056 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCOc2ccccc2C)c1 ZINC000024221244 846803971 /nfs/dbraw/zinc/80/39/71/846803971.db2.gz LLGZQIZPUFWFSJ-UHFFFAOYSA-N -1 1 410.543 4.152 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccsc3)c2)c1 ZINC000024383836 846820065 /nfs/dbraw/zinc/82/00/65/846820065.db2.gz IRRNHMSHRPNVMK-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000024427379 846823203 /nfs/dbraw/zinc/82/32/03/846823203.db2.gz JVWZDRLQOXNFMI-UHFFFAOYSA-N -1 1 402.303 4.324 20 0 HIADMM CCCCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000025347211 846963806 /nfs/dbraw/zinc/96/38/06/846963806.db2.gz GJQLIXMACJIARL-MRXNPFEDSA-N -1 1 404.532 4.195 20 0 HIADMM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2ccccc2cc1[O-])CC3 ZINC000025452278 846979226 /nfs/dbraw/zinc/97/92/26/846979226.db2.gz ZTHKIQZKNJDVFR-UHFFFAOYSA-N -1 1 400.434 4.012 20 0 HIADMM COc1ccc(C)cc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000025555052 847001251 /nfs/dbraw/zinc/00/12/51/847001251.db2.gz TZVMRLVUNYPFCO-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2sccc2C)cc1 ZINC000025718440 847026272 /nfs/dbraw/zinc/02/62/72/847026272.db2.gz ZLAJNBYTVJPJNM-UHFFFAOYSA-N -1 1 402.545 4.083 20 0 HIADMM CN(CCCOc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000025901629 847054498 /nfs/dbraw/zinc/05/44/98/847054498.db2.gz QDCIWQWYIWYEIB-UHFFFAOYSA-N -1 1 424.522 4.029 20 0 HIADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000026238739 847108402 /nfs/dbraw/zinc/10/84/02/847108402.db2.gz LRYCBPBJZHXPDG-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2)cc1 ZINC000026572849 847172087 /nfs/dbraw/zinc/17/20/87/847172087.db2.gz WAVZUORXFUHVGO-UHFFFAOYSA-N -1 1 416.528 4.023 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)cc1 ZINC000026749353 847193091 /nfs/dbraw/zinc/19/30/91/847193091.db2.gz NKRQNQXRFYZPIR-IIBYNOLFSA-N -1 1 416.543 4.195 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000026749344 847193194 /nfs/dbraw/zinc/19/31/94/847193194.db2.gz NKRQNQXRFYZPIR-HRAATJIYSA-N -1 1 416.543 4.195 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4c[nH]nc43)ccc2C)c1 ZINC000026871366 847212340 /nfs/dbraw/zinc/21/23/40/847212340.db2.gz JQHHMOBVCPXKQP-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1cccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)c1 ZINC000026885026 847215496 /nfs/dbraw/zinc/21/54/96/847215496.db2.gz OPYUCDABLMXYPQ-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000027155276 847257252 /nfs/dbraw/zinc/25/72/52/847257252.db2.gz DLOWTSQTLLPBQA-AWEZNQCLSA-N -1 1 408.470 4.028 20 0 HIADMM CC[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1OC(F)F ZINC000027356086 847288772 /nfs/dbraw/zinc/28/87/72/847288772.db2.gz XZFZVRZJATUZHY-AWEZNQCLSA-N -1 1 411.474 4.014 20 0 HIADMM Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000027651606 847332830 /nfs/dbraw/zinc/33/28/30/847332830.db2.gz RWUWBJDKPJCWES-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cc(SCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)nc2ccccc12 ZINC000028850401 847469442 /nfs/dbraw/zinc/46/94/42/847469442.db2.gz DBIUXJRLJCXIQG-UHFFFAOYSA-N -1 1 402.422 4.193 20 0 HIADMM COc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)c1 ZINC000028931818 847481292 /nfs/dbraw/zinc/48/12/92/847481292.db2.gz KULAJIPWRGBSJB-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000029278902 847537417 /nfs/dbraw/zinc/53/74/17/847537417.db2.gz SKZYTKCGFDLGRQ-UHFFFAOYSA-N -1 1 420.498 4.035 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCC2CCCC2)c1 ZINC000029345568 847548938 /nfs/dbraw/zinc/54/89/38/847548938.db2.gz RVOXHBNSIOYWCX-UHFFFAOYSA-N -1 1 400.544 4.414 20 0 HIADMM CCc1nc(COC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cs1 ZINC000029412823 847560266 /nfs/dbraw/zinc/56/02/66/847560266.db2.gz OPDOHLWPCKIZBG-UHFFFAOYSA-N -1 1 416.524 4.172 20 0 HIADMM O=C(Cc1ccc(F)cc1)N[N-]C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000029558842 847580223 /nfs/dbraw/zinc/58/02/23/847580223.db2.gz ZRIQGBTWDAVKDK-UHFFFAOYSA-N -1 1 421.453 4.213 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c1C ZINC000029816799 847624849 /nfs/dbraw/zinc/62/48/49/847624849.db2.gz NXBIGVBIWWWGGA-UHFFFAOYSA-N -1 1 409.515 4.212 20 0 HIADMM C[C@@H]1CCC[C@H](N(C)C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000030001009 847667365 /nfs/dbraw/zinc/66/73/65/847667365.db2.gz HBZFDEKHRBVZJA-UZLBHIALSA-N -1 1 418.534 4.206 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1 ZINC000029997826 847667528 /nfs/dbraw/zinc/66/75/28/847667528.db2.gz FNEVBIWGAXPSLH-DOTOQJQBSA-N -1 1 402.564 4.434 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1 ZINC000030012831 847670359 /nfs/dbraw/zinc/67/03/59/847670359.db2.gz XFSJIMDSXBCEJF-INIZCTEOSA-N -1 1 422.506 4.087 20 0 HIADMM CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000030011845 847670627 /nfs/dbraw/zinc/67/06/27/847670627.db2.gz JDGUWARUNPSNON-UHFFFAOYSA-N -1 1 408.523 4.458 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)ns1 ZINC000436471383 861817173 /nfs/dbraw/zinc/81/71/73/861817173.db2.gz UXVQADZFCIOFAU-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000030476311 847719114 /nfs/dbraw/zinc/71/91/14/847719114.db2.gz OYTQLMZATOXHTK-UHFFFAOYSA-N -1 1 404.507 4.421 20 0 HIADMM Cc1cnccc1NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436491014 861821703 /nfs/dbraw/zinc/82/17/03/861821703.db2.gz ZYUKRXRVVJZVMB-UHFFFAOYSA-N -1 1 416.264 4.329 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c(=O)[n-]1 ZINC000030512308 847726337 /nfs/dbraw/zinc/72/63/37/847726337.db2.gz IEFYUARWWIFKMR-UHFFFAOYSA-N -1 1 409.939 4.472 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000436496912 861824737 /nfs/dbraw/zinc/82/47/37/861824737.db2.gz QUTYEDPYDHJQNE-CQSZACIVSA-N -1 1 408.401 4.234 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000436496911 861824875 /nfs/dbraw/zinc/82/48/75/861824875.db2.gz QUTYEDPYDHJQNE-AWEZNQCLSA-N -1 1 408.401 4.234 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2oc3ccc(Br)cc3c2C)c1 ZINC000436506823 861829423 /nfs/dbraw/zinc/82/94/23/861829423.db2.gz USOPPVBPFIEITD-UHFFFAOYSA-N -1 1 404.216 4.248 20 0 HIADMM COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436520168 861833051 /nfs/dbraw/zinc/83/30/51/861833051.db2.gz UCVGWKBORPPVMI-UHFFFAOYSA-N -1 1 416.437 4.155 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC)CC(C)C)c2)cc1 ZINC000031376689 847871032 /nfs/dbraw/zinc/87/10/32/847871032.db2.gz XWZDVKQGLLEPQT-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000031382944 847872761 /nfs/dbraw/zinc/87/27/61/847872761.db2.gz QXZWGPMAFWXUEI-LAUBAEHRSA-N -1 1 400.544 4.447 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000031382967 847872861 /nfs/dbraw/zinc/87/28/61/847872861.db2.gz VCNXAPMHOPYLCU-KKSFZXQISA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 ZINC000031382994 847873104 /nfs/dbraw/zinc/87/31/04/847873104.db2.gz FYTOPGYBXFFJCI-UTKZUKDTSA-N -1 1 400.544 4.447 20 0 HIADMM O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc2ccccc2c1[O-] ZINC000436536006 861840193 /nfs/dbraw/zinc/84/01/93/861840193.db2.gz BNOBDRMDPTXMQY-UHFFFAOYSA-N -1 1 409.445 4.396 20 0 HIADMM CC[C@@H](C(=O)N1CCC(NC(=O)c2cc3ccccc3cc2[O-])CC1)c1ccccc1 ZINC000436537100 861841229 /nfs/dbraw/zinc/84/12/29/861841229.db2.gz FPPJKMWSAANPSO-JOCHJYFZSA-N -1 1 416.521 4.460 20 0 HIADMM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(Br)cc3[O-])nc2c1 ZINC000436538693 861842385 /nfs/dbraw/zinc/84/23/85/861842385.db2.gz IYRQBJQACJAALZ-INIZCTEOSA-N -1 1 400.276 4.317 20 0 HIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(Br)cc3[O-])[nH]c2c1 ZINC000436538693 861842389 /nfs/dbraw/zinc/84/23/89/861842389.db2.gz IYRQBJQACJAALZ-INIZCTEOSA-N -1 1 400.276 4.317 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC000031680666 847927751 /nfs/dbraw/zinc/92/77/51/847927751.db2.gz ISGGUSKZKIQMOK-INIZCTEOSA-N -1 1 404.507 4.197 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC000031681498 847928913 /nfs/dbraw/zinc/92/89/13/847928913.db2.gz LYCOPOQBDREEGR-SFHVURJKSA-N -1 1 400.544 4.366 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)C1 ZINC000031681466 847929039 /nfs/dbraw/zinc/92/90/39/847929039.db2.gz NDYKHLHJCMLRLM-SFHVURJKSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2Br)s1 ZINC000031720213 847938412 /nfs/dbraw/zinc/93/84/12/847938412.db2.gz LQQYKFXLGBCVPG-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000436549278 861846461 /nfs/dbraw/zinc/84/64/61/861846461.db2.gz VOBIQTCFYFLIFT-PIGZYNQJSA-N -1 1 410.695 4.410 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])[C@H]1C ZINC000436569622 861855228 /nfs/dbraw/zinc/85/52/28/861855228.db2.gz GWNPRFDRBREVNL-OLZOCXBDSA-N -1 1 417.303 4.278 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-n2nc(C)cc2C)cc1OCC ZINC000032086718 847986880 /nfs/dbraw/zinc/98/68/80/847986880.db2.gz UBEKMNMDMFCPCM-UHFFFAOYSA-N -1 1 415.515 4.087 20 0 HIADMM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000032088772 847987026 /nfs/dbraw/zinc/98/70/26/847987026.db2.gz VFEYJITZDJMFHU-UHFFFAOYSA-N -1 1 402.560 4.196 20 0 HIADMM Cc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000032150277 847989339 /nfs/dbraw/zinc/98/93/39/847989339.db2.gz DTVLOJBEOZXSPT-SFHVURJKSA-N -1 1 422.934 4.347 20 0 HIADMM C[C@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000032394418 848017839 /nfs/dbraw/zinc/01/78/39/848017839.db2.gz GCQCSUPDDXBQAE-RYUDHWBXSA-N -1 1 413.326 4.180 20 0 HIADMM CC(C)(CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000032447874 848029955 /nfs/dbraw/zinc/02/99/55/848029955.db2.gz VWMSCISRHMPXHH-UHFFFAOYSA-N -1 1 408.523 4.195 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C[C@@H]1C ZINC000436575108 861857458 /nfs/dbraw/zinc/85/74/58/861857458.db2.gz MTJNLIPVQBGNKE-STQMWFEESA-N -1 1 417.303 4.135 20 0 HIADMM CN(Cc1ccc(Cl)s1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000032502408 848041038 /nfs/dbraw/zinc/04/10/38/848041038.db2.gz SJMAQEACNFHSPZ-UHFFFAOYSA-N -1 1 420.943 4.475 20 0 HIADMM COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436586101 861860608 /nfs/dbraw/zinc/86/06/08/861860608.db2.gz UWUHORLUGANMLH-AOMKIAJQSA-N -1 1 418.493 4.036 20 0 HIADMM O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(Br)cc1[O-])c1ccco1 ZINC000436588039 861861334 /nfs/dbraw/zinc/86/13/34/861861334.db2.gz RIXCGXATTDXZLN-AWEZNQCLSA-N -1 1 406.276 4.406 20 0 HIADMM CC(C)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C2CC2)cc1 ZINC000032715614 848068612 /nfs/dbraw/zinc/06/86/12/848068612.db2.gz MKMPVWGSHOXVRR-UHFFFAOYSA-N -1 1 418.559 4.285 20 0 HIADMM CS[C@@H]1CCCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436593601 861862290 /nfs/dbraw/zinc/86/22/90/861862290.db2.gz FNCCBHIHCCDKJQ-QGZVFWFLSA-N -1 1 420.481 4.280 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC(C(F)F)CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436593395 861862454 /nfs/dbraw/zinc/86/24/54/861862454.db2.gz BAOKVUMUQSGJMF-UHFFFAOYSA-N -1 1 410.367 4.040 20 0 HIADMM O=C(NCc1ccccc1Cl)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436601308 861864912 /nfs/dbraw/zinc/86/49/12/861864912.db2.gz JSDYHYBQDYLILY-FQEVSTJZSA-N -1 1 408.885 4.120 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)c2)cc1 ZINC000033097994 848108294 /nfs/dbraw/zinc/10/82/94/848108294.db2.gz UCOOTQVAQXPIPK-YLJYHZDGSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3N(C)C)cc2)cc1 ZINC000033121916 848111090 /nfs/dbraw/zinc/11/10/90/848111090.db2.gz WJGMUNPVQFMGSK-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Oc3cnccn3)c2)c1 ZINC000033138063 848113502 /nfs/dbraw/zinc/11/35/02/848113502.db2.gz ZAAOKRZRVRXCGY-UHFFFAOYSA-N -1 1 418.482 4.137 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@H](C)C3)c2)cc1 ZINC000033181625 848120554 /nfs/dbraw/zinc/12/05/54/848120554.db2.gz SACPQEKEEXAYIO-QFBILLFUSA-N -1 1 416.543 4.195 20 0 HIADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033233340 848130454 /nfs/dbraw/zinc/13/04/54/848130454.db2.gz DRRARJYNSWRFPL-INIZCTEOSA-N -1 1 412.486 4.460 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(=O)[O-])cc1 ZINC000035010757 848142659 /nfs/dbraw/zinc/14/26/59/848142659.db2.gz CVTMSIYBJXFHGM-UHFFFAOYSA-N -1 1 401.465 4.117 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1ccc(Br)cc1 ZINC000036760477 848160869 /nfs/dbraw/zinc/16/08/69/848160869.db2.gz BKFIIISZYHONOJ-UHFFFAOYSA-N -1 1 419.300 4.224 20 0 HIADMM O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)cc1[O-] ZINC000436622450 861873409 /nfs/dbraw/zinc/87/34/09/861873409.db2.gz ZJZBQPPOWHBTAS-GOSISDBHSA-N -1 1 401.235 4.208 20 0 HIADMM O=C(c1cc(Cl)cc(Br)c1[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000436638214 861878570 /nfs/dbraw/zinc/87/85/70/861878570.db2.gz FLPQPXXQPILBAV-UHFFFAOYSA-N -1 1 423.738 4.156 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1cccc(NC(=S)Nc2ccc(F)cc2)c1 ZINC000036845584 848168531 /nfs/dbraw/zinc/16/85/31/848168531.db2.gz VUFFHBBQIOTRFZ-UHFFFAOYSA-N -1 1 401.488 4.435 20 0 HIADMM O=C(Nc1c(Cl)cc(NC(=O)c2ccc(O)cc2[O-])cc1Cl)c1ccncc1 ZINC000436628073 861875062 /nfs/dbraw/zinc/87/50/62/861875062.db2.gz WNGZITPZUYQCOO-UHFFFAOYSA-N -1 1 418.236 4.304 20 0 HIADMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(N4CCNC4=O)cc3)n2)cc1 ZINC000041512287 848223702 /nfs/dbraw/zinc/22/37/02/848223702.db2.gz MDTRKFXSCSJMDO-SFHVURJKSA-N -1 1 402.479 4.138 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Cl)c2N(C)C)c1 ZINC000042092860 848284975 /nfs/dbraw/zinc/28/49/75/848284975.db2.gz LLIGHELGWFKMHV-UHFFFAOYSA-N -1 1 401.923 4.274 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(F)ccc2NC(C)C)c1 ZINC000436670637 861889074 /nfs/dbraw/zinc/88/90/74/861889074.db2.gz RJFXJHVXSJEMCG-UHFFFAOYSA-N -1 1 412.421 4.153 20 0 HIADMM O=C(c1cc(Br)cc(Cl)c1[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000436674656 861890563 /nfs/dbraw/zinc/89/05/63/861890563.db2.gz WDLRKXMIVZQZQR-UHFFFAOYSA-N -1 1 423.738 4.156 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000436675578 861890896 /nfs/dbraw/zinc/89/08/96/861890896.db2.gz LGQXWUWHYOXVHH-ATIYNZHBSA-N -1 1 418.537 4.499 20 0 HIADMM CCOc1cc(-c2noc(-c3nc(C4CC4)oc3C)n2)cc(Br)c1[O-] ZINC000436679413 861892715 /nfs/dbraw/zinc/89/27/15/861892715.db2.gz GLNATNRNFDPTEA-UHFFFAOYSA-N -1 1 406.236 4.444 20 0 HIADMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(Br)cc1O ZINC000436701084 861896887 /nfs/dbraw/zinc/89/68/87/861896887.db2.gz BQMHGDYHBHMCCX-UHFFFAOYSA-N -1 1 407.289 4.419 20 0 HIADMM CCCCn1c2nc(-c3ccc([O-])c(Cl)c3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000436705123 861898016 /nfs/dbraw/zinc/89/80/16/861898016.db2.gz QPKKAKCCNKDIMK-UHFFFAOYSA-N -1 1 424.888 4.173 20 0 HIADMM O=C(N[C@@H](c1ccccc1)c1ccccn1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043294603 848405404 /nfs/dbraw/zinc/40/54/04/848405404.db2.gz KMZGAUIEANVKGJ-QHCPKHFHSA-N -1 1 415.493 4.181 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3)c2)cc1 ZINC000043747270 848458401 /nfs/dbraw/zinc/45/84/01/848458401.db2.gz JDVIBNFOMKZMKX-KRWDZBQOSA-N -1 1 424.522 4.295 20 0 HIADMM COc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N-]S(C)(=O)=O ZINC000044036068 848505625 /nfs/dbraw/zinc/50/56/25/848505625.db2.gz WGLGVBYOIQVUSJ-UHFFFAOYSA-N -1 1 412.467 4.111 20 0 HIADMM Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)c1 ZINC000044254438 848537598 /nfs/dbraw/zinc/53/75/98/848537598.db2.gz YMJMFNGSGGAJJO-UHFFFAOYSA-N -1 1 410.451 4.033 20 0 HIADMM CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436732438 861917498 /nfs/dbraw/zinc/91/74/98/861917498.db2.gz UCRMNAGYFRHHDB-UHFFFAOYSA-N -1 1 405.294 4.271 20 0 HIADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(I)ccc1[O-] ZINC000436735360 861920063 /nfs/dbraw/zinc/92/00/63/861920063.db2.gz FBHXKJMSSHJHOJ-JSGCOSHPSA-N -1 1 407.251 4.015 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2CC[C@@H](F)C2)c([O-])c1)c1cccc(Br)c1 ZINC000436743017 861926094 /nfs/dbraw/zinc/92/60/94/861926094.db2.gz GJISEQFHWIUPTN-ZIAGYGMSSA-N -1 1 421.266 4.027 20 0 HIADMM C[C@H](CCc1ccco1)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436747202 861930526 /nfs/dbraw/zinc/93/05/26/861930526.db2.gz LEWHAJSRDGIAQS-CYBMUJFWSA-N -1 1 414.408 4.267 20 0 HIADMM CCOCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436751957 861935916 /nfs/dbraw/zinc/93/59/16/861935916.db2.gz PAFTZFYXHPXRNC-UHFFFAOYSA-N -1 1 411.285 4.108 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436753397 861937924 /nfs/dbraw/zinc/93/79/24/861937924.db2.gz DIKDQZHMOBJBFV-FQEVSTJZSA-N -1 1 423.419 4.295 20 0 HIADMM COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000436754133 861938284 /nfs/dbraw/zinc/93/82/84/861938284.db2.gz HJBILHYKIYVYAJ-NRFANRHFSA-N -1 1 413.470 4.398 20 0 HIADMM CCOc1cc(-c2noc(CSc3ccncc3)n2)cc(Br)c1[O-] ZINC000436753570 861938462 /nfs/dbraw/zinc/93/84/62/861938462.db2.gz FHTKIHQTEJDWMI-UHFFFAOYSA-N -1 1 408.277 4.291 20 0 HIADMM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436754503 861940737 /nfs/dbraw/zinc/94/07/37/861940737.db2.gz ZEQHRHKEEPOWKS-UHFFFAOYSA-N -1 1 413.342 4.424 20 0 HIADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])cc1OC ZINC000436756945 861945406 /nfs/dbraw/zinc/94/54/06/861945406.db2.gz SZRGKLLCUMJLCI-HNNXBMFYSA-N -1 1 406.276 4.149 20 0 HIADMM C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1)n1cccn1 ZINC000436759642 861949069 /nfs/dbraw/zinc/94/90/69/861949069.db2.gz DBEIWXYNVXXATG-OAHLLOKOSA-N -1 1 400.438 4.194 20 0 HIADMM COc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])ccc1NC(=O)c1cccnc1 ZINC000436761149 861952388 /nfs/dbraw/zinc/95/23/88/861952388.db2.gz WPBSKSJUYUSLFM-UHFFFAOYSA-N -1 1 405.454 4.424 20 0 HIADMM O=C(NCc1ccc(COC2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436761861 861952688 /nfs/dbraw/zinc/95/26/88/861952688.db2.gz ALJUFWTWPLLNEY-UHFFFAOYSA-N -1 1 409.404 4.037 20 0 HIADMM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588638 848880643 /nfs/dbraw/zinc/88/06/43/848880643.db2.gz ACYZNRLEWZTLTA-OAHLLOKOSA-N -1 1 414.458 4.033 20 0 HIADMM COc1ccccc1OCc1ccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)o1 ZINC000046754325 848926468 /nfs/dbraw/zinc/92/64/68/848926468.db2.gz ZUTPOQHDKPYJJO-UHFFFAOYSA-N -1 1 408.439 4.033 20 0 HIADMM COCc1c(C(=O)[N-]c2nnc(-c3ccccn3)s2)sc2cccc(F)c21 ZINC000046758541 848928409 /nfs/dbraw/zinc/92/84/09/848928409.db2.gz JVDYTOBTNOZSBY-UHFFFAOYSA-N -1 1 400.460 4.353 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(O)cc3)no2)cc1 ZINC000436768699 861959332 /nfs/dbraw/zinc/95/93/32/861959332.db2.gz ISTHSMAURKYUCM-UHFFFAOYSA-N -1 1 407.451 4.218 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(Cl)nc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046780068 848933073 /nfs/dbraw/zinc/93/30/73/848933073.db2.gz BDGUASDZUZUURZ-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2CCCOCC2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436768333 861960090 /nfs/dbraw/zinc/96/00/90/861960090.db2.gz IVUPIVVKTWQRRJ-ZDUSSCGKSA-N -1 1 423.296 4.250 20 0 HIADMM Cc1ccc(NC(=O)CCc2ccccc2O)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000047119269 848987053 /nfs/dbraw/zinc/98/70/53/848987053.db2.gz HWHKSCYVSHWJAR-UHFFFAOYSA-N -1 1 410.495 4.073 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccncc2)cc1 ZINC000047277902 849019260 /nfs/dbraw/zinc/01/92/60/849019260.db2.gz NTCFDXRCJBJWEB-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047432490 849045264 /nfs/dbraw/zinc/04/52/64/849045264.db2.gz CODCSTHBXBFSQL-UHFFFAOYSA-N -1 1 408.429 4.230 20 0 HIADMM CCOc1ccc(-c2nc(NC(=O)c3cc(NC(C)=O)ccc3[O-])sc2C)cc1 ZINC000436779902 861972992 /nfs/dbraw/zinc/97/29/92/861972992.db2.gz AWFAWDLWQRZHEP-UHFFFAOYSA-N -1 1 411.483 4.434 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000047907900 849136754 /nfs/dbraw/zinc/13/67/54/849136754.db2.gz SBVFZXPWYCDLHR-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc(C(F)(F)F)cs2)cc1 ZINC000047930218 849139839 /nfs/dbraw/zinc/13/98/39/849139839.db2.gz YYVXOBWCZQKPDE-UHFFFAOYSA-N -1 1 413.450 4.420 20 0 HIADMM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc(Br)ccc1[O-] ZINC000436793488 861986116 /nfs/dbraw/zinc/98/61/16/861986116.db2.gz RPNOBJILXQYXAK-UHFFFAOYSA-N -1 1 410.174 4.395 20 0 HIADMM O=C(Nc1cccc(-c2cnco2)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000048241976 849195410 /nfs/dbraw/zinc/19/54/10/849195410.db2.gz GVROGLUWZFHCPX-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM COCCN(Cc1cc(Br)cs1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436807792 861995984 /nfs/dbraw/zinc/99/59/84/861995984.db2.gz MMPWXQWYKATCAP-UHFFFAOYSA-N -1 1 404.713 4.158 20 0 HIADMM N#C[C@H](C(=O)C=Cc1ccc(Cl)s1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817466 849271461 /nfs/dbraw/zinc/27/14/61/849271461.db2.gz XHPINPXOXASURB-HOSRBBHYSA-N -1 1 415.927 4.468 20 0 HIADMM C[C@@H](CCCC(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436822180 862004982 /nfs/dbraw/zinc/00/49/82/862004982.db2.gz NSOZOXYPOROGTM-KSSFIOAISA-N -1 1 422.447 4.387 20 0 HIADMM CC(=O)N(Cc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1)C(C)C ZINC000436817133 862001602 /nfs/dbraw/zinc/00/16/02/862001602.db2.gz WCUQXPRZGCCCBE-UHFFFAOYSA-N -1 1 405.292 4.164 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3ncco3)c2C)c1 ZINC000436830853 862011616 /nfs/dbraw/zinc/01/16/16/862011616.db2.gz RPJFPXTXTOYHFI-UHFFFAOYSA-N -1 1 418.409 4.157 20 0 HIADMM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436836010 862015327 /nfs/dbraw/zinc/01/53/27/862015327.db2.gz CJEUYGYSANIOSI-DOTOQJQBSA-N -1 1 420.481 4.327 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCCc2ccccc2C1 ZINC000436842470 862018865 /nfs/dbraw/zinc/01/88/65/862018865.db2.gz XYAPZDNWNOMBBX-HSZRJFAPSA-N -1 1 414.505 4.125 20 0 HIADMM O=C(Nc1cccc(OCCF)c1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436841001 862019139 /nfs/dbraw/zinc/01/91/39/862019139.db2.gz QXGJGQYPLGWZFK-NRFANRHFSA-N -1 1 422.456 4.137 20 0 HIADMM CS[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])C(C)(C)C ZINC000436844671 862021385 /nfs/dbraw/zinc/02/13/85/862021385.db2.gz OWOXPMZLSGPLPH-RBUKOAKNSA-N -1 1 414.571 4.044 20 0 HIADMM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000436862504 862042463 /nfs/dbraw/zinc/04/24/63/862042463.db2.gz ZHOXAVCSKIDTMV-ZDUSSCGKSA-N -1 1 406.889 4.370 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(F)ccc3-n3cccn3)n2)cc(Cl)c1[O-] ZINC000436868990 862045906 /nfs/dbraw/zinc/04/59/06/862045906.db2.gz BPCXPGRNTMHROK-UHFFFAOYSA-N -1 1 400.797 4.486 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CCCCN3C(=O)c3ccco3)n2)cc(Cl)c1[O-] ZINC000436871737 862047905 /nfs/dbraw/zinc/04/79/05/862047905.db2.gz KRXVBMRYAHIBFJ-AWEZNQCLSA-N -1 1 417.849 4.455 20 0 HIADMM CCN(CC)c1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cn1 ZINC000053507578 849723236 /nfs/dbraw/zinc/72/32/36/849723236.db2.gz DHOUKQFOLJJUNV-UHFFFAOYSA-N -1 1 410.547 4.186 20 0 HIADMM [O-]c1ccc(-c2noc([C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)cc1F ZINC000436874856 862052603 /nfs/dbraw/zinc/05/26/03/862052603.db2.gz SFWPNFALNIOYBG-KRWDZBQOSA-N -1 1 424.259 4.310 20 0 HIADMM COc1cc(-c2noc(-c3oc(CC4CC4)nc3C)n2)cc(Br)c1[O-] ZINC000436877745 862054871 /nfs/dbraw/zinc/05/48/71/862054871.db2.gz HGLYNUYNBQBIRU-UHFFFAOYSA-N -1 1 406.236 4.129 20 0 HIADMM CCCOc1nc(C)ccc1-c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436879776 862057450 /nfs/dbraw/zinc/05/74/50/862057450.db2.gz OIDZUSOMORIPQX-UHFFFAOYSA-N -1 1 420.263 4.373 20 0 HIADMM CCOc1cc(-c2nc([C@H](CC)NC(=O)c3ccccc3)no2)cc(Cl)c1[O-] ZINC000436880336 862058415 /nfs/dbraw/zinc/05/84/15/862058415.db2.gz JCRQXQPSXMQJHQ-HNNXBMFYSA-N -1 1 401.850 4.375 20 0 HIADMM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000054261293 849835043 /nfs/dbraw/zinc/83/50/43/849835043.db2.gz APHFKVDHEQNNMQ-HNNXBMFYSA-N -1 1 400.525 4.348 20 0 HIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436887461 862064327 /nfs/dbraw/zinc/06/43/27/862064327.db2.gz KBUUEJDRQPXSIZ-QMMMGPOBSA-N -1 1 409.330 4.278 20 0 HIADMM COCC(=O)Nc1ccc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)cc1 ZINC000436892087 862067825 /nfs/dbraw/zinc/06/78/25/862067825.db2.gz ZHISSDDEJSCIGD-UHFFFAOYSA-N -1 1 417.421 4.486 20 0 HIADMM O=C(Nc1ccc(-c2nc(Cc3cscn3)no2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436896501 862071708 /nfs/dbraw/zinc/07/17/08/862071708.db2.gz NBVQRYPPSWIRSZ-UHFFFAOYSA-N -1 1 414.393 4.020 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCc2c(Br)cccc2C1 ZINC000436903889 862081109 /nfs/dbraw/zinc/08/11/09/862081109.db2.gz JNXYQFQABFGPLH-UHFFFAOYSA-N -1 1 411.093 4.116 20 0 HIADMM N#Cc1ccccc1N1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=S ZINC000055190775 849984001 /nfs/dbraw/zinc/98/40/01/849984001.db2.gz ZYKWXJMRYQDLDW-OVCLIPMQSA-N -1 1 417.309 4.432 20 0 HIADMM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315104 849999931 /nfs/dbraw/zinc/99/99/31/849999931.db2.gz QIFYPKORFKXLHP-OAHLLOKOSA-N -1 1 401.890 4.243 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000055592209 850068086 /nfs/dbraw/zinc/06/80/86/850068086.db2.gz WVWHDYMJXZBNCI-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1F ZINC000055592812 850068589 /nfs/dbraw/zinc/06/85/89/850068589.db2.gz PONPLIJJGBCTSD-UHFFFAOYSA-N -1 1 408.838 4.434 20 0 HIADMM CCCOc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000055595887 850073257 /nfs/dbraw/zinc/07/32/57/850073257.db2.gz VBUVWCVKAZWTJI-UHFFFAOYSA-N -1 1 414.911 4.051 20 0 HIADMM O=C1OCCN1Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000055652579 850097716 /nfs/dbraw/zinc/09/77/16/850097716.db2.gz SSAZHYVQINPKIS-UHFFFAOYSA-N -1 1 408.479 4.107 20 0 HIADMM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000055663564 850102908 /nfs/dbraw/zinc/10/29/08/850102908.db2.gz CSXUFWMHHNICCT-UHFFFAOYSA-N -1 1 403.262 4.060 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(OCc2ccccc2)nc1 ZINC000436920214 862100097 /nfs/dbraw/zinc/10/00/97/862100097.db2.gz QZUPDXQLIUCMRF-UHFFFAOYSA-N -1 1 421.844 4.057 20 0 HIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc(OCc2ccccc2)nc1 ZINC000436920214 862100109 /nfs/dbraw/zinc/10/01/09/862100109.db2.gz QZUPDXQLIUCMRF-UHFFFAOYSA-N -1 1 421.844 4.057 20 0 HIADMM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436926509 862106210 /nfs/dbraw/zinc/10/62/10/862106210.db2.gz MGGHEINYRQEGSB-DEOSSOPVSA-N -1 1 410.333 4.454 20 0 HIADMM CCSCc1ccc(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)cc1 ZINC000056078813 850239780 /nfs/dbraw/zinc/23/97/80/850239780.db2.gz VEJOAEFKOLRMDV-UHFFFAOYSA-N -1 1 405.574 4.030 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(Oc2cccc(Br)c2)CC1 ZINC000436933856 862112203 /nfs/dbraw/zinc/11/22/03/862112203.db2.gz VEMYXKJWIPLUPY-UHFFFAOYSA-N -1 1 410.695 4.492 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CCC1(F)F ZINC000436938448 862117461 /nfs/dbraw/zinc/11/74/61/862117461.db2.gz LHGDHWIILKJHIP-NSHDSACASA-N -1 1 410.367 4.040 20 0 HIADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(I)ccc1[O-] ZINC000436952043 862131390 /nfs/dbraw/zinc/13/13/90/862131390.db2.gz UXXCKQBYRWXABZ-IUODEOHRSA-N -1 1 407.251 4.015 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000436955126 862136323 /nfs/dbraw/zinc/13/63/23/862136323.db2.gz ZBLQUYJTESBXDJ-MRXNPFEDSA-N -1 1 414.658 4.161 20 0 HIADMM COc1cc(-c2noc(COc3cc(F)cc(F)c3)n2)cc(Br)c1[O-] ZINC000436957577 862138282 /nfs/dbraw/zinc/13/82/82/862138282.db2.gz YLSKDXQKMVEVLJ-UHFFFAOYSA-N -1 1 413.174 4.071 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(OC)c2)c2ccccc12 ZINC000057118539 850550469 /nfs/dbraw/zinc/55/04/69/850550469.db2.gz GPXDVCRNIZQPKK-UHFFFAOYSA-N -1 1 414.483 4.006 20 0 HIADMM Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)c2)oc1C ZINC000057119701 850552432 /nfs/dbraw/zinc/55/24/32/850552432.db2.gz WFHQAQYICXIDMG-UHFFFAOYSA-N -1 1 406.847 4.111 20 0 HIADMM O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436970646 862148211 /nfs/dbraw/zinc/14/82/11/862148211.db2.gz FKOMTNPGNLZDKI-UHFFFAOYSA-N -1 1 419.884 4.252 20 0 HIADMM CCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000057390128 850626275 /nfs/dbraw/zinc/62/62/75/850626275.db2.gz NSEOZDMTGRAFMC-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM C[C@@H](CC1CC1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436972371 862151123 /nfs/dbraw/zinc/15/11/23/862151123.db2.gz OAWPBWUUQPCNJL-LBPRGKRZSA-N -1 1 417.303 4.325 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCc3ccccc3C#N)cc2)cc1 ZINC000057466616 850645061 /nfs/dbraw/zinc/64/50/61/850645061.db2.gz GZIVKWYPMTYZAJ-UHFFFAOYSA-N -1 1 406.463 4.025 20 0 HIADMM CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000057473236 850646495 /nfs/dbraw/zinc/64/64/95/850646495.db2.gz ATYFQAFROKGTCL-UHFFFAOYSA-N -1 1 408.523 4.222 20 0 HIADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436983958 862163001 /nfs/dbraw/zinc/16/30/01/862163001.db2.gz AZVGNLVSJWLXKW-RDBSUJKOSA-N -1 1 402.441 4.429 20 0 HIADMM CN(C(=O)c1ccc(Br)cc1[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000436985200 862164179 /nfs/dbraw/zinc/16/41/79/862164179.db2.gz DJHDAAKGPYIIRX-CRAIPNDOSA-N -1 1 408.267 4.286 20 0 HIADMM Cc1noc(C(C)C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058149876 850772956 /nfs/dbraw/zinc/77/29/56/850772956.db2.gz YMBXHSJHWSMLHU-UHFFFAOYSA-N -1 1 413.499 4.468 20 0 HIADMM CN(CC(=O)Nc1ccccc1Cl)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000058204885 850781192 /nfs/dbraw/zinc/78/11/92/850781192.db2.gz OOXMEHRDKZUOQS-UHFFFAOYSA-N -1 1 407.971 4.245 20 0 HIADMM COCc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000058290200 850793564 /nfs/dbraw/zinc/79/35/64/850793564.db2.gz NTDZRJBLDLJALH-UHFFFAOYSA-N -1 1 414.458 4.025 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000058295164 850795464 /nfs/dbraw/zinc/79/54/64/850795464.db2.gz DOUAEFQJXMDIRM-UHFFFAOYSA-N -1 1 401.513 4.188 20 0 HIADMM O=C(NC[C@H]1CCCC1=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436996651 862169968 /nfs/dbraw/zinc/16/99/68/862169968.db2.gz UPNRPFTVJPYBTP-GFCCVEGCSA-N -1 1 421.280 4.050 20 0 HIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1)C1CCCC1 ZINC000058365865 850809862 /nfs/dbraw/zinc/80/98/62/850809862.db2.gz JOEWAVGAXNELLU-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM CCOc1cc(-c2noc(/C=C\c3cccc(O)c3)n2)cc(Br)c1[O-] ZINC000437001776 862174962 /nfs/dbraw/zinc/17/49/62/862174962.db2.gz WYTPXHQLILQHBN-SREVYHEPSA-N -1 1 403.232 4.479 20 0 HIADMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000059362136 851001621 /nfs/dbraw/zinc/00/16/21/851001621.db2.gz OMQJFYLQRWHIOU-UHFFFAOYSA-N -1 1 413.858 4.097 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cc[nH]n2)cc1 ZINC000060168954 851048193 /nfs/dbraw/zinc/04/81/93/851048193.db2.gz XVOHMDVHQRYRMU-UHFFFAOYSA-N -1 1 412.515 4.069 20 0 HIADMM CCCCCc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000060196493 851050274 /nfs/dbraw/zinc/05/02/74/851050274.db2.gz MPTTTXBJYIYGTJ-UHFFFAOYSA-N -1 1 404.514 4.444 20 0 HIADMM Cc1ccccc1OCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060411926 851090366 /nfs/dbraw/zinc/09/03/66/851090366.db2.gz KENFZUVHTMRAMO-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM COc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060412100 851090690 /nfs/dbraw/zinc/09/06/90/851090690.db2.gz FIGSPNREUXCPKO-UHFFFAOYSA-N -1 1 424.522 4.376 20 0 HIADMM Cc1ccn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)nc2c1 ZINC000060412111 851091109 /nfs/dbraw/zinc/09/11/09/851091109.db2.gz GUEDWOGHFLYOFN-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412001 851091230 /nfs/dbraw/zinc/09/12/30/851091230.db2.gz GATJDQBPFCKBPR-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CC[C@@H]1CCc2c(sc3nc(-c4cc(OC)c(OC)c(OC)c4)[n-]c(=O)c32)C1 ZINC000060479434 851113876 /nfs/dbraw/zinc/11/38/76/851113876.db2.gz HQFGBOLXWCEIBG-LLVKDONJSA-N -1 1 400.500 4.192 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(Br)cc1Cl ZINC000061122705 851298866 /nfs/dbraw/zinc/29/88/66/851298866.db2.gz GEDAWWNIGKMNHJ-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CCOc1cc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CCOc1ccccc1 ZINC000061475398 851387695 /nfs/dbraw/zinc/38/76/95/851387695.db2.gz RIZVETNAPXOZBI-UHFFFAOYSA-N -1 1 410.495 4.044 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1ccc(C(C)C)cc1 ZINC000062482248 851561343 /nfs/dbraw/zinc/56/13/43/851561343.db2.gz ABCIMFIXNOYVEM-UHFFFAOYSA-N -1 1 403.500 4.001 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(-c2cccs2)n1 ZINC000062481902 851561523 /nfs/dbraw/zinc/56/15/23/851561523.db2.gz NHCNYGMNSGKZMO-UHFFFAOYSA-N -1 1 422.553 4.380 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000063149903 851623221 /nfs/dbraw/zinc/62/32/21/851623221.db2.gz GYJOKSSSBWWEGY-UHFFFAOYSA-N -1 1 414.449 4.297 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)CC3)ccc2C)cc1 ZINC000063273911 851647922 /nfs/dbraw/zinc/64/79/22/851647922.db2.gz JHYMQJUWIDJZRM-INIZCTEOSA-N -1 1 400.544 4.366 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Br)c(C)c1 ZINC000063457474 851694095 /nfs/dbraw/zinc/69/40/95/851694095.db2.gz SCWLPUQLBWHPCZ-UHFFFAOYSA-N -1 1 411.321 4.162 20 0 HIADMM CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877910 851784143 /nfs/dbraw/zinc/78/41/43/851784143.db2.gz GQSWEELGHCFPRM-SNVBAGLBSA-N -1 1 401.843 4.155 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000064311806 851868445 /nfs/dbraw/zinc/86/84/45/851868445.db2.gz LHXWAXUVECAPOQ-UHFFFAOYSA-N -1 1 401.532 4.081 20 0 HIADMM Cc1c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n[nH]c1C1CC1 ZINC000064347675 851876688 /nfs/dbraw/zinc/87/66/88/851876688.db2.gz AMQPTXXRTARUOU-UHFFFAOYSA-N -1 1 424.526 4.265 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1 ZINC000064474942 851906387 /nfs/dbraw/zinc/90/63/87/851906387.db2.gz UTVDKZCKPJKVOF-UHFFFAOYSA-N -1 1 408.570 4.315 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC3CCCC3)c2)cc1 ZINC000064475565 851906490 /nfs/dbraw/zinc/90/64/90/851906490.db2.gz NCXLNOGEQBJVHL-UHFFFAOYSA-N -1 1 418.515 4.166 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000064475159 851906864 /nfs/dbraw/zinc/90/68/64/851906864.db2.gz ADKJHWJCMNLRDL-UHFFFAOYSA-N -1 1 416.499 4.268 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000064474760 851906878 /nfs/dbraw/zinc/90/68/78/851906878.db2.gz DEGHOMSKVXWHKQ-UHFFFAOYSA-N -1 1 414.556 4.194 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1 ZINC000064476871 851908038 /nfs/dbraw/zinc/90/80/38/851908038.db2.gz CWXMTWSRJZALJZ-UHFFFAOYSA-N -1 1 410.495 4.415 20 0 HIADMM O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1ccc(SC(F)(F)F)cc1 ZINC000064937850 852026289 /nfs/dbraw/zinc/02/62/89/852026289.db2.gz XISKIGANBRLOBZ-UHFFFAOYSA-N -1 1 413.446 4.344 20 0 HIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n[nH]1 ZINC000065080361 852057855 /nfs/dbraw/zinc/05/78/55/852057855.db2.gz DBBWIJWUHICGBV-UHFFFAOYSA-N -1 1 416.812 4.253 20 0 HIADMM O=C(CC(C1CC1)C1CC1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000065107091 852066295 /nfs/dbraw/zinc/06/62/95/852066295.db2.gz ZLFNEKQRJWIINS-UHFFFAOYSA-N -1 1 402.491 4.391 20 0 HIADMM COc1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000065160105 852080875 /nfs/dbraw/zinc/08/08/75/852080875.db2.gz OJSVFILEHMHQMO-UHFFFAOYSA-N -1 1 410.495 4.081 20 0 HIADMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000065223407 852089454 /nfs/dbraw/zinc/08/94/54/852089454.db2.gz FHBRSFHSNQDYGY-UHFFFAOYSA-N -1 1 406.935 4.430 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(COCCc3ccccc3)c2)c1 ZINC000065220438 852089556 /nfs/dbraw/zinc/08/95/56/852089556.db2.gz GCELGXYEJVLVRW-UHFFFAOYSA-N -1 1 404.466 4.362 20 0 HIADMM O=C([N-]NC(=O)c1ccccc1)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000065504287 852159571 /nfs/dbraw/zinc/15/95/71/852159571.db2.gz DCPFGPXHWOXAOB-UHFFFAOYSA-N -1 1 402.237 4.256 20 0 HIADMM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CCS1 ZINC000437142582 862333125 /nfs/dbraw/zinc/33/31/25/862333125.db2.gz BRSOQGCCLNRKBR-IBGZPJMESA-N -1 1 418.584 4.072 20 0 HIADMM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CCS1 ZINC000437142584 862333904 /nfs/dbraw/zinc/33/39/04/862333904.db2.gz BRSOQGCCLNRKBR-LJQANCHMSA-N -1 1 418.584 4.072 20 0 HIADMM C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H]1C ZINC000068968780 852377944 /nfs/dbraw/zinc/37/79/44/852377944.db2.gz ITQHQVUHJJYDJK-WHSLLNHNSA-N -1 1 418.534 4.110 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCCCC3)c2)cc1 ZINC000069667334 852400013 /nfs/dbraw/zinc/40/00/13/852400013.db2.gz PKELTNUBSSDUST-UHFFFAOYSA-N -1 1 416.543 4.292 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(-c2cccs2)[nH]n1 ZINC000071958339 852445729 /nfs/dbraw/zinc/44/57/29/852445729.db2.gz XYASOJHUBWAPDX-UHFFFAOYSA-N -1 1 424.507 4.191 20 0 HIADMM O=C(Nc1cc(F)c(F)cc1F)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000078508790 852517708 /nfs/dbraw/zinc/51/77/08/852517708.db2.gz WKZNZGJYHCSBNZ-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000096968368 852564541 /nfs/dbraw/zinc/56/45/41/852564541.db2.gz FFICJKOZQLSEMN-UHFFFAOYSA-N -1 1 406.870 4.438 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000096991798 852569258 /nfs/dbraw/zinc/56/92/58/852569258.db2.gz KKKRNHVYAUARBE-CQSZACIVSA-N -1 1 414.506 4.365 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000097091318 852581744 /nfs/dbraw/zinc/58/17/44/852581744.db2.gz DAQPLMCBMXFNLJ-UHFFFAOYSA-N -1 1 407.499 4.004 20 0 HIADMM COc1ccccc1Oc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000097091386 852582806 /nfs/dbraw/zinc/58/28/06/852582806.db2.gz QBDYOPRBBFXFDF-UHFFFAOYSA-N -1 1 407.470 4.429 20 0 HIADMM Cn1c(C2CCN(C(=O)c3ccc(SC(F)(F)F)cc3)CC2)n[n-]c1=S ZINC000097552615 852630469 /nfs/dbraw/zinc/63/04/69/852630469.db2.gz PZIMKWXETHFZHG-UHFFFAOYSA-N -1 1 402.467 4.109 20 0 HIADMM CCn1c([C@H]2CCCN(C(=O)C[C@H](c3ccccc3)C(F)(F)F)C2)n[n-]c1=S ZINC000097570153 852632486 /nfs/dbraw/zinc/63/24/86/852632486.db2.gz GBBISGYEJVAEHJ-LSDHHAIUSA-N -1 1 412.481 4.403 20 0 HIADMM CCn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)c2cccc(OC3CCCC3)c2)C1 ZINC000097570086 852632576 /nfs/dbraw/zinc/63/25/76/852632576.db2.gz IIUNDXBZHHBQKP-MRXNPFEDSA-N -1 1 400.548 4.302 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000105769840 852728574 /nfs/dbraw/zinc/72/85/74/852728574.db2.gz VTZMVNMRKRMZBD-UHFFFAOYSA-N -1 1 410.886 4.328 20 0 HIADMM CCOC(=O)C1=C(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)[N-]c2ccccc2N=C1C ZINC000107835392 852802042 /nfs/dbraw/zinc/80/20/42/852802042.db2.gz HPSXIMUTTSIAQF-UONOGXRCSA-N -1 1 423.435 4.464 20 0 HIADMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2F)C[C@H](C)O1 ZINC000108439685 852851625 /nfs/dbraw/zinc/85/16/25/852851625.db2.gz DAOLVCMVYXEEFL-TXEJJXNPSA-N -1 1 416.877 4.033 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cnn(Cc3ccccc3)c2)cc1 ZINC000108545311 852858455 /nfs/dbraw/zinc/85/84/55/852858455.db2.gz HHDPQIGUDDTWND-UHFFFAOYSA-N -1 1 418.526 4.190 20 0 HIADMM CCOc1ccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1F ZINC000108576893 852861923 /nfs/dbraw/zinc/86/19/23/852861923.db2.gz WDMOKHWGHSDMKW-UHFFFAOYSA-N -1 1 400.479 4.483 20 0 HIADMM COc1ccc(CCCNC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000108666050 852870549 /nfs/dbraw/zinc/87/05/49/852870549.db2.gz MKIUTHWWHPSNLK-UHFFFAOYSA-N -1 1 410.543 4.064 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCCCN(C)c2ccccc2)c1 ZINC000108818086 852882492 /nfs/dbraw/zinc/88/24/92/852882492.db2.gz OBUGYRYKZSVJLY-UHFFFAOYSA-N -1 1 423.586 4.339 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)cc1OCC ZINC000110899821 853165271 /nfs/dbraw/zinc/16/52/71/853165271.db2.gz PYFFEVOWZDOYLE-UHFFFAOYSA-N -1 1 424.544 4.059 20 0 HIADMM O=c1nc(CN2CC[C@H](Nc3ccccc3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000110991567 853182446 /nfs/dbraw/zinc/18/24/46/853182446.db2.gz MXXULHUMYSJDDW-SFHVURJKSA-N -1 1 420.513 4.477 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)CCC(F)(F)F)c1 ZINC000111081864 853199048 /nfs/dbraw/zinc/19/90/48/853199048.db2.gz KTSBWLOBQVNBFJ-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1cccc(Br)c1 ZINC000115073190 853245185 /nfs/dbraw/zinc/24/51/85/853245185.db2.gz ZKIAEQIANZVZSF-UHFFFAOYSA-N -1 1 409.074 4.152 20 0 HIADMM CN(Cc1ccc(Br)cc1)C(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000115252236 853248988 /nfs/dbraw/zinc/24/89/88/853248988.db2.gz BIWCUUFQRLGQAM-UHFFFAOYSA-N -1 1 423.361 4.090 20 0 HIADMM CCc1ncc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000115942673 853274761 /nfs/dbraw/zinc/27/47/61/853274761.db2.gz HLRPWUYWTRUDJH-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM COc1ccc(C)cc1CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000117089265 853342503 /nfs/dbraw/zinc/34/25/03/853342503.db2.gz WOYISXHWAWWKJG-UHFFFAOYSA-N -1 1 424.522 4.294 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCCc2cc(F)ccc21 ZINC000117734677 853368240 /nfs/dbraw/zinc/36/82/40/853368240.db2.gz VTNACFZJIBHULQ-UHFFFAOYSA-N -1 1 410.470 4.220 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000140064804 853432363 /nfs/dbraw/zinc/43/23/63/853432363.db2.gz SIOUZLVBEYGAMJ-UHFFFAOYSA-N -1 1 409.511 4.076 20 0 HIADMM C[C@H]1CN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)C[C@@H](c2ccccc2)O1 ZINC000143475478 853515999 /nfs/dbraw/zinc/51/59/99/853515999.db2.gz BCTVXTBVWDVWAR-HOCLYGCPSA-N -1 1 414.556 4.048 20 0 HIADMM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cc(Br)ccc1[O-] ZINC000195645671 853735926 /nfs/dbraw/zinc/73/59/26/853735926.db2.gz JDBNTKGRCIXQAN-AWEZNQCLSA-N -1 1 406.276 4.355 20 0 HIADMM C[C@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000195700271 853766621 /nfs/dbraw/zinc/76/66/21/853766621.db2.gz OPHMIFOMADAOKX-KBPBESRZSA-N -1 1 414.449 4.120 20 0 HIADMM N#Cc1ccccc1/C=C\C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000209328597 853810234 /nfs/dbraw/zinc/81/02/34/853810234.db2.gz PIINITQDXZHFRD-ZROIWOOFSA-N -1 1 421.453 4.150 20 0 HIADMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCCOc1ccc(F)cc1 ZINC000211358021 853815789 /nfs/dbraw/zinc/81/57/89/853815789.db2.gz JUZXGMCZKWJEMO-LDADJPATSA-N -1 1 403.431 4.006 20 0 HIADMM Cc1ccc(N)cc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000237589608 854059580 /nfs/dbraw/zinc/05/95/80/854059580.db2.gz SSFIPEXZJYDOLJ-UHFFFAOYSA-N -1 1 413.474 4.078 20 0 HIADMM O=C(Nc1ccnn1C1CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000247504522 854157825 /nfs/dbraw/zinc/15/78/25/854157825.db2.gz RCILBDWJFLHDPV-UHFFFAOYSA-N -1 1 424.526 4.441 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(c3ccc(O)cc3)CC2)c1 ZINC000248058294 854175373 /nfs/dbraw/zinc/17/53/73/854175373.db2.gz CONAQMRHRCFIOX-UHFFFAOYSA-N -1 1 422.554 4.418 20 0 HIADMM C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261369389 854236206 /nfs/dbraw/zinc/23/62/06/854236206.db2.gz NEMFODAGUMKYTH-ZDUSSCGKSA-N -1 1 404.869 4.107 20 0 HIADMM O=C(CN1CCC(C(=O)c2ccc([O-])cc2)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000261372304 854237443 /nfs/dbraw/zinc/23/74/43/854237443.db2.gz HMLNPNPCLVRSGU-RUZDIDTESA-N -1 1 420.553 4.335 20 0 HIADMM O=C(NCC1(Sc2ccccc2)CC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261410708 854252398 /nfs/dbraw/zinc/25/23/98/854252398.db2.gz SLJYNEPLTXXGTG-UHFFFAOYSA-N -1 1 410.539 4.321 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NCc2cc3ccccc3[nH]2)nc1 ZINC000301293895 854350652 /nfs/dbraw/zinc/35/06/52/854350652.db2.gz QSCHUNBMHOOQGG-UHFFFAOYSA-N -1 1 414.437 4.254 20 0 HIADMM Cc1nc(-c2ccc(N[C@H](C)c3ccc(N4CCCC4=O)cc3)nc2)[n-]c(=O)c1C ZINC000301341600 854365582 /nfs/dbraw/zinc/36/55/82/854365582.db2.gz FRRYAEXRTOHPOQ-MRXNPFEDSA-N -1 1 403.486 4.161 20 0 HIADMM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cs1 ZINC000437300254 862558036 /nfs/dbraw/zinc/55/80/36/862558036.db2.gz BJVVFNYGSXONAF-ZETCQYMHSA-N -1 1 415.751 4.289 20 0 HIADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1F ZINC000301384051 854377817 /nfs/dbraw/zinc/37/78/17/854377817.db2.gz FDDWGJYNRWBPQS-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM Cc1nc(-c2ccc(NCc3cccc(NC(=O)C4CCC4)c3)nc2)[n-]c(=O)c1C ZINC000301386675 854378372 /nfs/dbraw/zinc/37/83/72/854378372.db2.gz XIDRTZNPEDMYOQ-UHFFFAOYSA-N -1 1 403.486 4.212 20 0 HIADMM C[C@H](c1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1)N1CCOCC1 ZINC000437309817 862571940 /nfs/dbraw/zinc/57/19/40/862571940.db2.gz OIYUBSXWOGZIFJ-QGZVFWFLSA-N -1 1 402.560 4.178 20 0 HIADMM CC[C@H](C)[C@@H](C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-])c1ccccc1 ZINC000301997395 854513247 /nfs/dbraw/zinc/51/32/47/854513247.db2.gz NWFKTIZMPMMKPU-HRAATJIYSA-N -1 1 418.559 4.191 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1 ZINC000302973425 854703450 /nfs/dbraw/zinc/70/34/50/854703450.db2.gz SRHSABHBMMBXED-UHFFFAOYSA-N -1 1 423.542 4.458 20 0 HIADMM CC(C)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1sccc1Br ZINC000437327331 862596461 /nfs/dbraw/zinc/59/64/61/862596461.db2.gz STJZUVUQYQABMQ-AWEZNQCLSA-N -1 1 406.342 4.195 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(C(C)C)[nH]n3)c2)c1 ZINC000303058144 854742276 /nfs/dbraw/zinc/74/22/76/854742276.db2.gz WQQXPQBTORULMO-UHFFFAOYSA-N -1 1 412.515 4.203 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)c(Cl)c1)c1ccc(F)cc1C(F)(F)F ZINC000303231047 854827773 /nfs/dbraw/zinc/82/77/73/854827773.db2.gz YJSOTKIXOSQCOI-UHFFFAOYSA-N -1 1 419.787 4.484 20 0 HIADMM CC(C)COc1cccc(CNC(=O)CCn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000303322763 854871153 /nfs/dbraw/zinc/87/11/53/854871153.db2.gz AIZWJUSJTNADAW-UHFFFAOYSA-N -1 1 416.572 4.410 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC2(C)CCCC2)c1 ZINC000303393043 854905942 /nfs/dbraw/zinc/90/59/42/854905942.db2.gz YLNXQWWJAJJXOS-UHFFFAOYSA-N -1 1 400.544 4.414 20 0 HIADMM CCc1nc([C@@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cs1 ZINC000303442617 854941523 /nfs/dbraw/zinc/94/15/23/854941523.db2.gz CGOBZYMQILCNPC-CYBMUJFWSA-N -1 1 401.561 4.203 20 0 HIADMM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccnc1 ZINC000303544766 855030412 /nfs/dbraw/zinc/03/04/12/855030412.db2.gz GOXPFXNIVLOEAC-CYBMUJFWSA-N -1 1 418.421 4.079 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N(Cc1cccc(O)c1)CC1CC1 ZINC000303649757 855105241 /nfs/dbraw/zinc/10/52/41/855105241.db2.gz TWGWFKAFTJGMDL-UHFFFAOYSA-N -1 1 414.556 4.204 20 0 HIADMM O=C(C[C@H]1CCOc2ccccc21)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000303665645 855117851 /nfs/dbraw/zinc/11/78/51/855117851.db2.gz INENQGVWBPHSFV-QGZVFWFLSA-N -1 1 422.506 4.382 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(O)cc3C)cc2)ccc1F ZINC000303811213 855214796 /nfs/dbraw/zinc/21/47/96/855214796.db2.gz LEZREFSNBYXYBE-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1cc(Br)cnc1Cl ZINC000386105294 855443111 /nfs/dbraw/zinc/44/31/11/855443111.db2.gz PFTQRVSTGUWDRA-LLVKDONJSA-N -1 1 419.753 4.013 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Br)cc2[nH]1 ZINC000389917726 855452561 /nfs/dbraw/zinc/45/25/61/855452561.db2.gz RPMFALLEXJFAFD-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1cc(C)c(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000409772807 855646852 /nfs/dbraw/zinc/64/68/52/855646852.db2.gz OKNBBIZLBUEPST-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)c(=O)[n-]1 ZINC000410043191 855794591 /nfs/dbraw/zinc/79/45/91/855794591.db2.gz GOTBBLHJVDTOMQ-UHFFFAOYSA-N -1 1 417.575 4.231 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1 ZINC000437394505 862730007 /nfs/dbraw/zinc/73/00/07/862730007.db2.gz MGBSCWDYUCVCFZ-UHFFFAOYSA-N -1 1 403.891 4.165 20 0 HIADMM CSc1ccc([C@H](C)NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000410236322 855874887 /nfs/dbraw/zinc/87/48/87/855874887.db2.gz NHEZYYLMKZCKMZ-JTQLQIEISA-N -1 1 413.280 4.210 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)c(Cl)c1 ZINC000410374743 855959695 /nfs/dbraw/zinc/95/96/95/855959695.db2.gz VCTORFFAISYUBZ-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC000410397075 855973111 /nfs/dbraw/zinc/97/31/11/855973111.db2.gz JARMZNSTFACXTA-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(Br)cc1Cl)c1ccc(F)cc1F ZINC000410398984 855973932 /nfs/dbraw/zinc/97/39/32/855973932.db2.gz BNQYIULCGJZTSP-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CC(C)Oc1c(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cccc1C(=O)[O-] ZINC000410405962 855979375 /nfs/dbraw/zinc/97/93/75/855979375.db2.gz ZYSUOJITXIXJKV-UHFFFAOYSA-N -1 1 421.368 4.131 20 0 HIADMM CCC(C)(C)OCc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C ZINC000425960592 856019963 /nfs/dbraw/zinc/01/99/63/856019963.db2.gz XVJNRNVAKLHABV-UHFFFAOYSA-N -1 1 409.479 4.338 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4ccccn43)cc2)c1 ZINC000437402012 862751865 /nfs/dbraw/zinc/75/18/65/862751865.db2.gz ALKXEKUFYRTEEX-UHFFFAOYSA-N -1 1 406.511 4.244 20 0 HIADMM CCSc1cccc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c1 ZINC000426605002 856368911 /nfs/dbraw/zinc/36/89/11/856368911.db2.gz LRKDGXZLGCFDDS-UHFFFAOYSA-N -1 1 405.483 4.305 20 0 HIADMM Cc1nc(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)ccc1C(=O)[O-] ZINC000426655232 856395685 /nfs/dbraw/zinc/39/56/85/856395685.db2.gz CJSMEBFPTRLUST-UHFFFAOYSA-N -1 1 412.493 4.290 20 0 HIADMM COc1cc(Br)c(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1OC ZINC000426722576 856434539 /nfs/dbraw/zinc/43/45/39/856434539.db2.gz IBXQPOVTYGEGNN-KZULUSFZSA-N -1 1 408.292 4.018 20 0 HIADMM O=C([O-])C[C@@H](NCc1cc(Br)cs1)c1cnn(-c2ccccc2)c1 ZINC000426729738 856439062 /nfs/dbraw/zinc/43/90/62/856439062.db2.gz GMHBDQUHISAXAT-MRXNPFEDSA-N -1 1 406.305 4.002 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1cccc2c1OC(C)(C)C2)C(=O)[O-] ZINC000426733484 856442295 /nfs/dbraw/zinc/44/22/95/856442295.db2.gz NDMWJEPMELHFMR-KRWDZBQOSA-N -1 1 420.303 4.087 20 0 HIADMM COc1cc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc2c1OCCO2 ZINC000426751320 856454812 /nfs/dbraw/zinc/45/48/12/856454812.db2.gz UZQUCNXVLXKLOA-HNNXBMFYSA-N -1 1 412.269 4.079 20 0 HIADMM Cc1ccc(-c2ncc(CN[C@H](CC(=O)[O-])c3cnn(-c4ccccc4)c3)s2)o1 ZINC000426755836 856458695 /nfs/dbraw/zinc/45/86/95/856458695.db2.gz GGKYQEXTJYMVLG-GOSISDBHSA-N -1 1 408.483 4.203 20 0 HIADMM O=C([O-])C[C@H](NCc1ccc(F)c(Br)c1)c1cnn(-c2ccccc2)c1 ZINC000426762778 856465100 /nfs/dbraw/zinc/46/51/00/856465100.db2.gz NMNZQDGTAZSRCL-SFHVURJKSA-N -1 1 418.266 4.080 20 0 HIADMM COc1cc(Cl)c(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1Cl ZINC000426794621 856482219 /nfs/dbraw/zinc/48/22/19/856482219.db2.gz VIYMUQGRFOSBJI-OAHLLOKOSA-N -1 1 414.285 4.325 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc(Cl)cc3cccnc32)c1OC ZINC000426813726 856493489 /nfs/dbraw/zinc/49/34/89/856493489.db2.gz YZTOUYNKQPSAMR-KRWDZBQOSA-N -1 1 400.862 4.211 20 0 HIADMM CCCSC[C@@H](NCc1cnc(-c2ccc(Br)cc2)s1)C(=O)[O-] ZINC000426821460 856497791 /nfs/dbraw/zinc/49/77/91/856497791.db2.gz SUSXJFZBFPXIJW-CQSZACIVSA-N -1 1 415.378 4.259 20 0 HIADMM COc1cc(CN[C@H](C(=O)[O-])c2ccsc2)cc(Br)c1OC(F)F ZINC000426830437 856503090 /nfs/dbraw/zinc/50/30/90/856503090.db2.gz YBHPEWKJOWYXTJ-LBPRGKRZSA-N -1 1 422.247 4.036 20 0 HIADMM CC1(C)CCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000427179254 856694616 /nfs/dbraw/zinc/69/46/16/856694616.db2.gz SIAJZUQBIJPOOZ-SFHVURJKSA-N -1 1 408.470 4.074 20 0 HIADMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c1 ZINC000427276667 856748142 /nfs/dbraw/zinc/74/81/42/856748142.db2.gz VECRWEIAQSQZFL-UHFFFAOYSA-N -1 1 420.874 4.281 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1C(=O)OC(C)C ZINC000427314777 856765660 /nfs/dbraw/zinc/76/56/60/856765660.db2.gz RQNQIGPIOJQZPJ-UHFFFAOYSA-N -1 1 414.483 4.324 20 0 HIADMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)c1 ZINC000427328680 856774905 /nfs/dbraw/zinc/77/49/05/856774905.db2.gz DODKYOHTTCITEL-UHFFFAOYSA-N -1 1 420.531 4.021 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000427346002 856785041 /nfs/dbraw/zinc/78/50/41/856785041.db2.gz HJMDZIDQLFJUPN-CALCHBBNSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H]4CCCC[C@@H]4C3)cc2)c1C ZINC000427345992 856785440 /nfs/dbraw/zinc/78/54/40/856785440.db2.gz HJFLOESUNLUAEI-WOJBJXKFSA-N -1 1 412.555 4.366 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](C)C(F)(F)C2)c1 ZINC000427646090 856895575 /nfs/dbraw/zinc/89/55/75/856895575.db2.gz GZBCGMVOTYMGSY-MRXNPFEDSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](C)C(F)(F)C3)c2)c1 ZINC000427673343 856904584 /nfs/dbraw/zinc/90/45/84/856904584.db2.gz SNYGCEGSAARVKK-INIZCTEOSA-N -1 1 422.497 4.222 20 0 HIADMM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1cccc(OC(F)(F)F)c1F ZINC000427788156 856954016 /nfs/dbraw/zinc/95/40/16/856954016.db2.gz WOVBMWSNNNXJRU-UHFFFAOYSA-N -1 1 411.760 4.113 20 0 HIADMM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1c(Cl)cc(Cl)cc1Cl ZINC000427819673 856969784 /nfs/dbraw/zinc/96/97/84/856969784.db2.gz SSSFQYJXMWVQGG-GFCCVEGCSA-N -1 1 408.734 4.091 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCS[C@@H](C)CC3)c2)c1 ZINC000427919491 857007194 /nfs/dbraw/zinc/00/71/94/857007194.db2.gz XTTACYCMFYORMZ-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000428187561 857104877 /nfs/dbraw/zinc/10/48/77/857104877.db2.gz TYHHTNDAYTWWBQ-QZTJIDSGSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)cc1 ZINC000428317854 857150212 /nfs/dbraw/zinc/15/02/12/857150212.db2.gz DQJNKQSCHVMGLJ-LAUBAEHRSA-N -1 1 416.525 4.198 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CC1(C)CC1 ZINC000428349972 857166415 /nfs/dbraw/zinc/16/64/15/857166415.db2.gz MTQJWKULPFZFGO-UHFFFAOYSA-N -1 1 408.907 4.278 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC(F)(F)C3)c2)cc1 ZINC000428765154 857325226 /nfs/dbraw/zinc/32/52/26/857325226.db2.gz BLJPADLRKWWQFX-UHFFFAOYSA-N -1 1 422.497 4.358 20 0 HIADMM CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H](C)Cc1ccsc1 ZINC000428856228 857373505 /nfs/dbraw/zinc/37/35/05/857373505.db2.gz KZJSZJHHQDJCJE-HNNXBMFYSA-N -1 1 410.543 4.026 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@H]1CC[C@H](C)C1 ZINC000430457970 858175651 /nfs/dbraw/zinc/17/56/51/858175651.db2.gz MFDMCYDMGNOACH-KSSFIOAISA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)cc2)cc1C ZINC000430459106 858176266 /nfs/dbraw/zinc/17/62/66/858176266.db2.gz PEVHSMLMIIVGMB-QRWLVFNGSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)cc1 ZINC000430477173 858187052 /nfs/dbraw/zinc/18/70/52/858187052.db2.gz KPBFJYKHXNBUCH-IFXJQAMLSA-N -1 1 404.507 4.196 20 0 HIADMM CN(CCC(=O)[O-])CC(=O)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000430671637 858261365 /nfs/dbraw/zinc/26/13/65/858261365.db2.gz QSTJFOXRQVGGJF-UHFFFAOYSA-N -1 1 418.965 4.044 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000431043100 858415156 /nfs/dbraw/zinc/41/51/56/858415156.db2.gz AOQNDCSMKAFDJT-PEBXRYMYSA-N -1 1 420.488 4.064 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cc(Br)ccc1Cl ZINC000431141325 858466998 /nfs/dbraw/zinc/46/69/98/858466998.db2.gz WEZZEYJFLWJXKS-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cc(Cl)ccc1Br ZINC000431159974 858478753 /nfs/dbraw/zinc/47/87/53/858478753.db2.gz SDRHKELRRWCIFY-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1Cl ZINC000431182045 858492009 /nfs/dbraw/zinc/49/20/09/858492009.db2.gz NOWXCWTUYQXWMS-UHFFFAOYSA-N -1 1 400.692 4.296 20 0 HIADMM COc1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)cc1 ZINC000431455246 858626065 /nfs/dbraw/zinc/62/60/65/858626065.db2.gz DSSKIGZYHSIYJE-UHFFFAOYSA-N -1 1 401.054 4.178 20 0 HIADMM Cc1ccc(NC(=O)C2Cc3ccccc3C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000431482717 858637964 /nfs/dbraw/zinc/63/79/64/858637964.db2.gz LWVWEXPYIMMBJO-UHFFFAOYSA-N -1 1 406.507 4.149 20 0 HIADMM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000431504200 858647155 /nfs/dbraw/zinc/64/71/55/858647155.db2.gz DOYJQKOSQOGHJR-UHFFFAOYSA-N -1 1 417.494 4.103 20 0 HIADMM Cc1nc(-c2ccc(N3CC[C@H](OCCCc4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000431830581 858831207 /nfs/dbraw/zinc/83/12/07/858831207.db2.gz KGAXKNUXTVEEEX-NRFANRHFSA-N -1 1 404.514 4.089 20 0 HIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000432061874 858959950 /nfs/dbraw/zinc/95/99/50/858959950.db2.gz NRZHVGAQBNCWTC-UHFFFAOYSA-N -1 1 424.650 4.384 20 0 HIADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cc1Cl ZINC000432085285 858978640 /nfs/dbraw/zinc/97/86/40/858978640.db2.gz OABWNZUKBOTVJN-UHFFFAOYSA-N -1 1 419.261 4.094 20 0 HIADMM CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)ccc2o1 ZINC000432390482 859141152 /nfs/dbraw/zinc/14/11/52/859141152.db2.gz ZRMQDTOTOWCUEU-UHFFFAOYSA-N -1 1 411.483 4.059 20 0 HIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c1Cl ZINC000432465898 859175915 /nfs/dbraw/zinc/17/59/15/859175915.db2.gz RFINWYGUDJTJRX-HNNXBMFYSA-N -1 1 415.342 4.488 20 0 HIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cc(-c2ccncc2)on1 ZINC000432600598 859248559 /nfs/dbraw/zinc/24/85/59/859248559.db2.gz JKIMTFUMSXNYML-MRXNPFEDSA-N -1 1 403.467 4.309 20 0 HIADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000432641881 859268714 /nfs/dbraw/zinc/26/87/14/859268714.db2.gz CFIPIGBBYCHWQT-UHFFFAOYSA-N -1 1 408.676 4.359 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CC3(CCC3)C[C@H]2C)c1 ZINC000432669531 859282496 /nfs/dbraw/zinc/28/24/96/859282496.db2.gz LBDCCFQILQBFCK-MRXNPFEDSA-N -1 1 416.518 4.340 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OCc3csc(C)n3)cc2)[n-]c1=O ZINC000432696941 859302086 /nfs/dbraw/zinc/30/20/86/859302086.db2.gz QNUNWTGINXZLRW-UKTHLTGXSA-N -1 1 411.483 4.263 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-n3cnc4ccccc43)cc2)[n-]c1=O ZINC000432703771 859305149 /nfs/dbraw/zinc/30/51/49/859305149.db2.gz BTCFJNITUCOUQB-NTCAYCPXSA-N -1 1 400.438 4.258 20 0 HIADMM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(=O)c2ccco2)cc1 ZINC000432772096 859352867 /nfs/dbraw/zinc/35/28/67/859352867.db2.gz PUWOALINWZDLHI-UHFFFAOYSA-N -1 1 419.890 4.052 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(Cl)c2)cc1C(C)C ZINC000432775770 859354481 /nfs/dbraw/zinc/35/44/81/859354481.db2.gz JYWIGQFFTXKOME-UHFFFAOYSA-N -1 1 424.950 4.283 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000432775153 859354917 /nfs/dbraw/zinc/35/49/17/859354917.db2.gz SYIHJZZNHQGZLM-UHFFFAOYSA-N -1 1 404.532 4.068 20 0 HIADMM COCCOCCS(=O)(=O)[N-]c1ccc(Cl)cc1-c1ccccc1Cl ZINC000432782602 859358200 /nfs/dbraw/zinc/35/82/00/859358200.db2.gz YCHZKZSZSJXVEC-UHFFFAOYSA-N -1 1 404.315 4.065 20 0 HIADMM CC(C)Cn1cc(C(=O)Nc2cc([O-])c(Br)cc2Br)cn1 ZINC000432794525 859363268 /nfs/dbraw/zinc/36/32/68/859363268.db2.gz BIACRESKAJWAJY-UHFFFAOYSA-N -1 1 417.101 4.022 20 0 HIADMM CCC[C@H](NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)c1nn[n-]n1 ZINC000467653112 881449399 /nfs/dbraw/zinc/44/93/99/881449399.db2.gz JSGQMRZMQZSSBX-IBGZPJMESA-N -1 1 406.465 4.077 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1 ZINC000433497778 859735171 /nfs/dbraw/zinc/73/51/71/859735171.db2.gz ROEWWMSXKHBOON-INIZCTEOSA-N -1 1 400.544 4.230 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Br)c(C)c1 ZINC000433528482 859757819 /nfs/dbraw/zinc/75/78/19/859757819.db2.gz NHLUGXZUABWSKP-UHFFFAOYSA-N -1 1 420.712 4.229 20 0 HIADMM O=S(=O)([N-]Cc1nccc2ccccc21)c1cc(Br)sc1Cl ZINC000433626142 859815593 /nfs/dbraw/zinc/81/55/93/859815593.db2.gz VTIOGLVTWDOPPN-UHFFFAOYSA-N -1 1 417.737 4.191 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3cccc(CC)c3CC)c2)n1 ZINC000433818418 859909831 /nfs/dbraw/zinc/90/98/31/859909831.db2.gz LPMNZCCSWGKARC-UHFFFAOYSA-N -1 1 421.501 4.095 20 0 HIADMM CC(C)[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccnc1 ZINC000434339870 860299824 /nfs/dbraw/zinc/29/98/24/860299824.db2.gz ALYCQOOUXXLHCV-JOCHJYFZSA-N -1 1 423.538 4.052 20 0 HIADMM CC(C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1cccnc1 ZINC000434344481 860301974 /nfs/dbraw/zinc/30/19/74/860301974.db2.gz LXPGRQCYUDKENV-QFIPXVFZSA-N -1 1 423.538 4.052 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OCc2cccc(F)c2)cc1C ZINC000467753367 881561497 /nfs/dbraw/zinc/56/14/97/881561497.db2.gz KGGOTPLFYVARQZ-UHFFFAOYSA-N -1 1 419.430 4.114 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435428884 860796550 /nfs/dbraw/zinc/79/65/50/860796550.db2.gz UWXQPBYZAJGSGE-CZUORRHYSA-N -1 1 422.280 4.470 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)c1c(Cl)cc(F)cc1Cl ZINC000435430416 860797316 /nfs/dbraw/zinc/79/73/16/860797316.db2.gz BIBIWKGIVAPOFZ-HOTGVXAUSA-N -1 1 404.290 4.331 20 0 HIADMM Cc1ccc(NC(=O)C(C)(C)C2CCOCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000435539779 860853610 /nfs/dbraw/zinc/85/36/10/860853610.db2.gz LJFAZXGAULFFSF-UHFFFAOYSA-N -1 1 416.543 4.187 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)c(C(F)(F)F)c2)c1 ZINC000435715250 861000630 /nfs/dbraw/zinc/00/06/30/861000630.db2.gz ACHAODQRILSLIZ-UHFFFAOYSA-N -1 1 423.359 4.353 20 0 HIADMM CCCCOCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438039010 863398886 /nfs/dbraw/zinc/39/88/86/863398886.db2.gz OXQJHOOVFBEDID-UHFFFAOYSA-N -1 1 414.886 4.035 20 0 HIADMM C[C@@H]1[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)C1(F)F ZINC000438047555 863411780 /nfs/dbraw/zinc/41/17/80/863411780.db2.gz DCGCAKNVXOMKMZ-RFAUZJTJSA-N -1 1 418.824 4.120 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000438049454 863413151 /nfs/dbraw/zinc/41/31/51/863413151.db2.gz AXWSXXBTDGTUIN-HWWDLCQESA-N -1 1 408.882 4.265 20 0 HIADMM Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438056410 863424238 /nfs/dbraw/zinc/42/42/38/863424238.db2.gz HUTIFCGHYQAXFA-UHFFFAOYSA-N -1 1 423.853 4.137 20 0 HIADMM CCc1ocnc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438062156 863434163 /nfs/dbraw/zinc/43/41/63/863434163.db2.gz CRCUHHVIXAFBCL-UHFFFAOYSA-N -1 1 423.853 4.083 20 0 HIADMM CS[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438065414 863438612 /nfs/dbraw/zinc/43/86/12/863438612.db2.gz MSTRGANTINYYTG-NSHDSACASA-N -1 1 416.927 4.360 20 0 HIADMM COc1cc(NC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)ccc1[N-]S(C)(=O)=O ZINC000438066523 863444535 /nfs/dbraw/zinc/44/45/35/863444535.db2.gz LEJWQPQIBYNHSU-LJQANCHMSA-N -1 1 417.531 4.134 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000438235717 863681100 /nfs/dbraw/zinc/68/11/00/863681100.db2.gz OCVLUTOOXQKPRU-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)N(Cc3ccccc3)c3ccccc32)c1 ZINC000438587649 864017660 /nfs/dbraw/zinc/01/76/60/864017660.db2.gz CUQDXAFXAJBOSV-QGZVFWFLSA-N -1 1 415.493 4.406 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C ZINC000467871295 881729731 /nfs/dbraw/zinc/72/97/31/881729731.db2.gz KZSPDINNSJRRPX-XLIONFOSSA-N -1 1 416.525 4.280 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)c(C)c3)cc2C[C@H]1C ZINC000438753379 864244911 /nfs/dbraw/zinc/24/49/11/864244911.db2.gz HUCHKYFKQQLQFZ-GFCCVEGCSA-N -1 1 412.433 4.112 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2Oc2ccccc2)cs1 ZINC000438755127 864247211 /nfs/dbraw/zinc/24/72/11/864247211.db2.gz FAUWINNVYFKQFB-UHFFFAOYSA-N -1 1 407.444 4.267 20 0 HIADMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000438758355 864252633 /nfs/dbraw/zinc/25/26/33/864252633.db2.gz ZKGXVLFIEHUWKG-SANMLTNESA-N -1 1 422.597 4.273 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C)c(O)c3)c2)c1 ZINC000438761812 864256928 /nfs/dbraw/zinc/25/69/28/864256928.db2.gz DIQIRHDBSAJBLW-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1Br ZINC000438762937 864257329 /nfs/dbraw/zinc/25/73/29/864257329.db2.gz XWKZVJRXBROCON-UHFFFAOYSA-N -1 1 408.321 4.489 20 0 HIADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000438772170 864268289 /nfs/dbraw/zinc/26/82/89/864268289.db2.gz DMLIZXNMRWUSQV-UHFFFAOYSA-N -1 1 420.512 4.101 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1NC(=O)C1CCCCC1 ZINC000438777931 864272620 /nfs/dbraw/zinc/27/26/20/864272620.db2.gz LBFTWEHUMNLMAQ-UHFFFAOYSA-N -1 1 420.506 4.462 20 0 HIADMM Cc1cc(C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438787383 864279781 /nfs/dbraw/zinc/27/97/81/864279781.db2.gz BSCPYIRIVSETEA-UHFFFAOYSA-N -1 1 404.507 4.306 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438802119 864293084 /nfs/dbraw/zinc/29/30/84/864293084.db2.gz UYOCWCBLZSMJCK-HUUCEWRRSA-N -1 1 418.534 4.361 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000438805820 864295788 /nfs/dbraw/zinc/29/57/88/864295788.db2.gz MOGGSNUUGHVCJN-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1Br ZINC000438818891 864311728 /nfs/dbraw/zinc/31/17/28/864311728.db2.gz MKXPFBLQXWRQIV-UHFFFAOYSA-N -1 1 410.211 4.299 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCCC2(CCCC2)C1 ZINC000438826145 864321654 /nfs/dbraw/zinc/32/16/54/864321654.db2.gz YQXIVZGNGOJTSC-NRFANRHFSA-N -1 1 406.526 4.333 20 0 HIADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)O1 ZINC000438892909 864374376 /nfs/dbraw/zinc/37/43/76/864374376.db2.gz YOQNDDMPZUDPTN-CJNGLKHVSA-N -1 1 424.469 4.052 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1C[C@]12CCc1ccccc12 ZINC000438996574 864453238 /nfs/dbraw/zinc/45/32/38/864453238.db2.gz HOMZBIPTPHPCRO-VWNXMTODSA-N -1 1 418.518 4.330 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)C3(C)CC3)ccc2C)c1 ZINC000439028688 864483716 /nfs/dbraw/zinc/48/37/16/864483716.db2.gz RXCJBMQRVVWHCP-QGZVFWFLSA-N -1 1 400.544 4.365 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3[nH]c(-c4cccc(F)c4)nc3c2)c1 ZINC000439050062 864501935 /nfs/dbraw/zinc/50/19/35/864501935.db2.gz KZMGXMXCSBXDEH-UHFFFAOYSA-N -1 1 404.401 4.285 20 0 HIADMM CC[C@@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3F)n2)on1 ZINC000439243717 864661712 /nfs/dbraw/zinc/66/17/12/864661712.db2.gz FPQDWVMXMGRXPP-MRVPVSSYSA-N -1 1 408.231 4.127 20 0 HIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)c2)n1 ZINC000467930302 881803604 /nfs/dbraw/zinc/80/36/04/881803604.db2.gz DRCGRXCCJBDXOU-GFCCVEGCSA-N -1 1 404.875 4.428 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)ccc1Br ZINC000467932339 881805270 /nfs/dbraw/zinc/80/52/70/881805270.db2.gz VJJSGUTTZDXMSP-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM O=C(Cc1cnc2ccccc2c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000439412739 864823358 /nfs/dbraw/zinc/82/33/58/864823358.db2.gz QZQPWVCSSYCMDL-UHFFFAOYSA-N -1 1 417.490 4.217 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)cc1 ZINC000439566854 864890099 /nfs/dbraw/zinc/89/00/99/864890099.db2.gz DDXQYBKIVKXEHU-CQSZACIVSA-N -1 1 405.426 4.440 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc([C@H]3CCC(F)(F)C3)no2)c1)c1ccccc1 ZINC000439567957 864891264 /nfs/dbraw/zinc/89/12/64/864891264.db2.gz HZPDTNMOVGBZQX-AWEZNQCLSA-N -1 1 405.426 4.440 20 0 HIADMM Cc1coc(-c2cccc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)c2)n1 ZINC000467970559 881827964 /nfs/dbraw/zinc/82/79/64/881827964.db2.gz QITRYNHHJQVMFA-UHFFFAOYSA-N -1 1 415.453 4.087 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)ccc2o1 ZINC000439869318 865177555 /nfs/dbraw/zinc/17/75/55/865177555.db2.gz IVELMIQQSVTLCZ-UHFFFAOYSA-N -1 1 414.405 4.145 20 0 HIADMM CCC[C@@H](C)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n[nH]1 ZINC000439912931 865220600 /nfs/dbraw/zinc/22/06/00/865220600.db2.gz RMUFXIUEFFZDGZ-OAHLLOKOSA-N -1 1 412.515 4.366 20 0 HIADMM CCC[C@@H](C)c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n[nH]1 ZINC000439916191 865223664 /nfs/dbraw/zinc/22/36/64/865223664.db2.gz FFXZICHPYHIVQI-OAHLLOKOSA-N -1 1 412.515 4.366 20 0 HIADMM COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(Br)cc3[O-])C2)cc1 ZINC000439946758 865240727 /nfs/dbraw/zinc/24/07/27/865240727.db2.gz CKKGRKUMWYZEIE-HNNXBMFYSA-N -1 1 404.304 4.258 20 0 HIADMM Cc1cc(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468059678 881881109 /nfs/dbraw/zinc/88/11/09/881881109.db2.gz MMZUJVFWGAKBCL-UHFFFAOYSA-N -1 1 422.828 4.442 20 0 HIADMM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000440413500 865708937 /nfs/dbraw/zinc/70/89/37/865708937.db2.gz XHMOCGVQCTYMDY-CABCVRRESA-N -1 1 406.935 4.401 20 0 HIADMM CCOCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000440440375 865742470 /nfs/dbraw/zinc/74/24/70/865742470.db2.gz FUUHHFGUCYCLKA-UHFFFAOYSA-N -1 1 410.495 4.276 20 0 HIADMM CSc1ccc(-c2nsc([N-]C(=O)c3cnc(-c4cnn(C)c4)s3)n2)cc1 ZINC000440459571 865762373 /nfs/dbraw/zinc/76/23/73/865762373.db2.gz FGADUSJJWNIUFD-UHFFFAOYSA-N -1 1 414.541 4.036 20 0 HIADMM CC(C)[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccncc1 ZINC000468106013 881921038 /nfs/dbraw/zinc/92/10/38/881921038.db2.gz JCEKVVQRVLZSMU-NRFANRHFSA-N -1 1 409.511 4.261 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)CC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000440863029 865962047 /nfs/dbraw/zinc/96/20/47/865962047.db2.gz WQTQLIMQSMEGNY-ZBFHGGJFSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)CC[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000440863026 865962622 /nfs/dbraw/zinc/96/26/22/865962622.db2.gz WQTQLIMQSMEGNY-GDBMZVCRSA-N -1 1 404.507 4.196 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1 ZINC000441763122 866841359 /nfs/dbraw/zinc/84/13/59/866841359.db2.gz JCMDXGHPPFSPFQ-UHFFFAOYSA-N -1 1 400.422 4.331 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)c(=O)[n-]1 ZINC000468171468 882049503 /nfs/dbraw/zinc/04/95/03/882049503.db2.gz YYDFWQFLSSBFBY-OAHLLOKOSA-N -1 1 414.575 4.471 20 0 HIADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2Oc2ccccc2)cc1 ZINC000442315233 867322209 /nfs/dbraw/zinc/32/22/09/867322209.db2.gz KFAQEPJDAKQGDJ-UHFFFAOYSA-N -1 1 414.458 4.121 20 0 HIADMM Cc1c(COc2ccccc2)cccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442317600 867324754 /nfs/dbraw/zinc/32/47/54/867324754.db2.gz WNVGRSGNWRVKLO-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCCCC3)cc2)cc1 ZINC000442322312 867328171 /nfs/dbraw/zinc/32/81/71/867328171.db2.gz ZTXAIBUEAZOYLQ-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1Nc1ccccc1 ZINC000442584228 867545997 /nfs/dbraw/zinc/54/59/97/867545997.db2.gz WWYQCUKJBREOCU-UHFFFAOYSA-N -1 1 411.465 4.477 20 0 HIADMM C[C@H]1COCC[C@H]1c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000442695829 867631466 /nfs/dbraw/zinc/63/14/66/867631466.db2.gz RCORAJRLANOBIX-MEDUHNTESA-N -1 1 415.396 4.113 20 0 HIADMM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1c(Cl)cccc1C(F)(F)F ZINC000442780408 867672775 /nfs/dbraw/zinc/67/27/75/867672775.db2.gz FXGOQOVOEXWTKQ-ZDUSSCGKSA-N -1 1 409.788 4.300 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1ccccc1OC(F)F ZINC000442846817 867696681 /nfs/dbraw/zinc/69/66/81/867696681.db2.gz BGKNCCQSAXHEEB-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM COc1cc(C(=O)NCc2ccc(OC3CCCC3)c(OC)c2)cc(Cl)c1[O-] ZINC000442872352 867707095 /nfs/dbraw/zinc/70/70/95/867707095.db2.gz YPZRDGXLCWZLFY-UHFFFAOYSA-N -1 1 405.878 4.314 20 0 HIADMM CCOCCOc1c(Cl)cccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442949312 867760555 /nfs/dbraw/zinc/76/05/55/867760555.db2.gz YCVNLNNFYPDCRO-UHFFFAOYSA-N -1 1 400.258 4.375 20 0 HIADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1)O[C@@H](C)C2 ZINC000442969339 867768917 /nfs/dbraw/zinc/76/89/17/867768917.db2.gz ROEFPPZZGPYCJC-PZSREKOKSA-N -1 1 417.889 4.062 20 0 HIADMM COc1cc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc(Cl)c1[O-] ZINC000443060404 867805096 /nfs/dbraw/zinc/80/50/96/867805096.db2.gz PCXRVGSGLZJYJH-LLVKDONJSA-N -1 1 404.825 4.354 20 0 HIADMM CCOc1cc(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)cc(Cl)c1[O-] ZINC000443105430 867820269 /nfs/dbraw/zinc/82/02/69/867820269.db2.gz WOSCSUKUFZQNHV-GOSISDBHSA-N -1 1 415.877 4.068 20 0 HIADMM CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443197656 867871171 /nfs/dbraw/zinc/87/11/71/867871171.db2.gz AVPZTGIGVLOADH-OAHLLOKOSA-N -1 1 401.850 4.375 20 0 HIADMM COc1cc(-c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)cc(Cl)c1[O-] ZINC000443219135 867880030 /nfs/dbraw/zinc/88/00/30/867880030.db2.gz GKOBQIAIENPAAD-UHFFFAOYSA-N -1 1 401.728 4.107 20 0 HIADMM CCOc1cc(-c2nc(-c3ccc(CN4CCCC4=O)cc3)no2)cc(Cl)c1[O-] ZINC000443219342 867880179 /nfs/dbraw/zinc/88/01/79/867880179.db2.gz DDHGPGPUNHLEOG-UHFFFAOYSA-N -1 1 413.861 4.284 20 0 HIADMM COc1cc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc(Cl)c1[O-] ZINC000443288364 867891856 /nfs/dbraw/zinc/89/18/56/867891856.db2.gz YFEGLFLUZKACJP-ZDUSSCGKSA-N -1 1 409.313 4.227 20 0 HIADMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000443374076 867935817 /nfs/dbraw/zinc/93/58/17/867935817.db2.gz YEMMHLPLFPTSDB-LLVKDONJSA-N -1 1 400.736 4.029 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@](C)(CC)C3)c2)cc1 ZINC000468240248 882138937 /nfs/dbraw/zinc/13/89/37/882138937.db2.gz LCVUTXXAUQEWOL-JOCHJYFZSA-N -1 1 416.543 4.148 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000443404929 867985164 /nfs/dbraw/zinc/98/51/64/867985164.db2.gz ICYIPZNQRRVBJH-UHFFFAOYSA-N -1 1 402.497 4.200 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(O[C@@H]4CCOC4)cc3)c2)n1 ZINC000443414517 868000040 /nfs/dbraw/zinc/00/00/40/868000040.db2.gz OQRDNIGYGBTOQG-GOSISDBHSA-N -1 1 416.524 4.087 20 0 HIADMM COC(=O)Cc1ccc(Oc2ccnc(-c3nc4cccc(C)c4c(=O)[n-]3)c2)cc1 ZINC000443418486 868002025 /nfs/dbraw/zinc/00/20/25/868002025.db2.gz NVFGAWHSFYGQHQ-UHFFFAOYSA-N -1 1 401.422 4.214 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)ccc1F ZINC000443467825 868055667 /nfs/dbraw/zinc/05/56/67/868055667.db2.gz MOBDEASPIXXSJW-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000443767773 868328685 /nfs/dbraw/zinc/32/86/85/868328685.db2.gz CMLZISCDCZXNHS-QMMMGPOBSA-N -1 1 411.833 4.079 20 0 HIADMM C[C@H]1C(=O)CC[C@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)C1(C)C ZINC000444339972 868768225 /nfs/dbraw/zinc/76/82/25/868768225.db2.gz HKDGYLRNVUHSGG-KBXCAEBGSA-N -1 1 400.519 4.035 20 0 HIADMM CCc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cnn1CC(C)C ZINC000444380187 868801608 /nfs/dbraw/zinc/80/16/08/868801608.db2.gz NCHCHWQSNMOHEH-UHFFFAOYSA-N -1 1 412.534 4.122 20 0 HIADMM COc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000444458727 868835998 /nfs/dbraw/zinc/83/59/98/868835998.db2.gz PMLKTGXBZLBQLS-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000444538035 868874170 /nfs/dbraw/zinc/87/41/70/868874170.db2.gz BPWQOVYVMRUHQZ-UHFFFAOYSA-N -1 1 405.502 4.240 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CCCC12CCC2 ZINC000444627950 868917801 /nfs/dbraw/zinc/91/78/01/868917801.db2.gz GBFRXCNVQFQDAA-UHFFFAOYSA-N -1 1 404.919 4.300 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnn(C)c2Cc2ccccc2)c1 ZINC000445154117 869245892 /nfs/dbraw/zinc/24/58/92/869245892.db2.gz YSCIKYIDZVHEMQ-UHFFFAOYSA-N -1 1 400.276 4.040 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccccc2C(C)C)cccc1C(=O)N1CCSCC1 ZINC000468355293 882293928 /nfs/dbraw/zinc/29/39/28/882293928.db2.gz FNCLETFXEDXESH-UHFFFAOYSA-N -1 1 418.584 4.108 20 0 HIADMM CCc1c(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cnn1CC(C)C ZINC000445389855 869476026 /nfs/dbraw/zinc/47/60/26/869476026.db2.gz GOWHWYVRDPNVNK-UHFFFAOYSA-N -1 1 421.295 4.295 20 0 HIADMM COc1cc(-c2noc(CCCOc3ccc(F)cc3)n2)cc(Br)c1[O-] ZINC000445396377 869481686 /nfs/dbraw/zinc/48/16/86/869481686.db2.gz XAFJDCCINYWQLB-UHFFFAOYSA-N -1 1 423.238 4.364 20 0 HIADMM COc1cc(-c2noc(CCc3ccc4[nH]ccc4c3)n2)cc(Br)c1[O-] ZINC000445396555 869483170 /nfs/dbraw/zinc/48/31/70/869483170.db2.gz ZKTSCNZFUZJKJR-UHFFFAOYSA-N -1 1 414.259 4.480 20 0 HIADMM COc1cc(-c2noc(CCCc3csc(C)n3)n2)cc(Br)c1[O-] ZINC000445398870 869484543 /nfs/dbraw/zinc/48/45/43/869484543.db2.gz ZVFLVDLQLQEZMI-UHFFFAOYSA-N -1 1 410.293 4.154 20 0 HIADMM COc1cc(-c2noc(CCc3nc4ccccc4o3)n2)cc(Br)c1[O-] ZINC000445407060 869490884 /nfs/dbraw/zinc/49/08/84/869490884.db2.gz XVESRMUFMGCDFT-UHFFFAOYSA-N -1 1 416.231 4.140 20 0 HIADMM COc1cccc(CCc2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1 ZINC000445407009 869490925 /nfs/dbraw/zinc/49/09/25/869490925.db2.gz ZCFKOMOTBZCXOD-UHFFFAOYSA-N -1 1 405.248 4.007 20 0 HIADMM CCOc1cc(-c2noc(CCc3cc(OC)ccc3OC)n2)cc(Cl)c1[O-] ZINC000445418099 869500261 /nfs/dbraw/zinc/50/02/61/869500261.db2.gz MJKPLUJRHACUQW-UHFFFAOYSA-N -1 1 404.850 4.297 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(Cl)c1[O-] ZINC000445422228 869505994 /nfs/dbraw/zinc/50/59/94/869505994.db2.gz LPODDYSPHCENPT-UHFFFAOYSA-N -1 1 406.822 4.187 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc(F)cc3F)n2)cc(Br)c1[O-] ZINC000445431444 869515419 /nfs/dbraw/zinc/51/54/19/869515419.db2.gz OKFZSBHRYUEMIU-UHFFFAOYSA-N -1 1 411.202 4.472 20 0 HIADMM [O-]c1ccc(-c2noc(CCCc3nc(-c4ccc(F)cc4)no3)n2)c(Cl)c1 ZINC000445447115 869527261 /nfs/dbraw/zinc/52/72/61/869527261.db2.gz GRTSLHPVOISNAS-UHFFFAOYSA-N -1 1 400.797 4.460 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc(-c3ccoc3)no2)c1 ZINC000445460611 869537041 /nfs/dbraw/zinc/53/70/41/869537041.db2.gz SDDWOICFENEEFD-UHFFFAOYSA-N -1 1 401.831 4.451 20 0 HIADMM Cc1ccc(S(=O)(=O)C2(c3nc(-c4ccc([O-])cc4F)no3)CCCC2)cc1 ZINC000445465423 869540867 /nfs/dbraw/zinc/54/08/67/869540867.db2.gz ZCIJHJPKEJCLML-UHFFFAOYSA-N -1 1 402.447 4.133 20 0 HIADMM O=S(=O)(Cc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1)c1ccccc1 ZINC000445477164 869549944 /nfs/dbraw/zinc/54/99/44/869549944.db2.gz MDKNCELZAITRSD-UHFFFAOYSA-N -1 1 410.426 4.222 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4cncs4)no3)cc2)ccc1F ZINC000445583534 869643914 /nfs/dbraw/zinc/64/39/14/869643914.db2.gz NMWAONDUJKAEKA-UHFFFAOYSA-N -1 1 416.459 4.108 20 0 HIADMM O=C(Cc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1)NCc1cccc(F)c1 ZINC000445745677 869796556 /nfs/dbraw/zinc/79/65/56/869796556.db2.gz UENKOELUMAVLRU-UHFFFAOYSA-N -1 1 419.412 4.233 20 0 HIADMM O=C(CCSc1ccccn1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000445836296 869852758 /nfs/dbraw/zinc/85/27/58/869852758.db2.gz VAHQVCCBCZNOEH-UHFFFAOYSA-N -1 1 413.524 4.003 20 0 HIADMM COc1cccc(Cl)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000468445490 882384922 /nfs/dbraw/zinc/38/49/22/882384922.db2.gz LXYMHVYWIPUIAD-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](C(C)C)C1 ZINC000446518564 870436124 /nfs/dbraw/zinc/43/61/24/870436124.db2.gz BMFIHTOFHHOUHM-MRXNPFEDSA-N -1 1 404.507 4.053 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](C(C)C)C3)c2)cc1F ZINC000446521476 870439173 /nfs/dbraw/zinc/43/91/73/870439173.db2.gz MDAFQQGKIVOZOG-KRWDZBQOSA-N -1 1 404.507 4.053 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000446881554 870801908 /nfs/dbraw/zinc/80/19/08/870801908.db2.gz SBFPCKASULBPLV-DEOSSOPVSA-N -1 1 418.472 4.029 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000446881555 870802241 /nfs/dbraw/zinc/80/22/41/870802241.db2.gz SBFPCKASULBPLV-XMMPIXPASA-N -1 1 418.472 4.029 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C)nc3C)c2)c1 ZINC000446887643 870806460 /nfs/dbraw/zinc/80/64/60/870806460.db2.gz WQFIXCJLUJZPFH-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c1-c1cccs1 ZINC000446973259 870872633 /nfs/dbraw/zinc/87/26/33/870872633.db2.gz ZGIMPBZYIMDALD-UHFFFAOYSA-N -1 1 424.935 4.113 20 0 HIADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000446980822 870876665 /nfs/dbraw/zinc/87/66/65/870876665.db2.gz MBUKYPHZJKPKDI-LJQANCHMSA-N -1 1 422.550 4.499 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2noc(C(F)(F)F)n2)c1)c1cccc2ncccc21 ZINC000447273606 871161762 /nfs/dbraw/zinc/16/17/62/871161762.db2.gz HRLQXAVYOVJUMH-UHFFFAOYSA-N -1 1 420.372 4.104 20 0 HIADMM Cc1nc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)oc1-c1ccc(Cl)cc1 ZINC000447423436 871329557 /nfs/dbraw/zinc/32/95/57/871329557.db2.gz RAJIZPZAXFCOOD-UHFFFAOYSA-N -1 1 414.893 4.335 20 0 HIADMM CC1(C)CCCC[C@H]1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000447477133 871365229 /nfs/dbraw/zinc/36/52/29/871365229.db2.gz FZHBQNPYTXJNLE-IBGZPJMESA-N -1 1 400.544 4.320 20 0 HIADMM Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447492004 871373043 /nfs/dbraw/zinc/37/30/43/871373043.db2.gz UIHCGMWGLSMVFG-UHFFFAOYSA-N -1 1 415.490 4.025 20 0 HIADMM Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447492004 871373062 /nfs/dbraw/zinc/37/30/62/871373062.db2.gz UIHCGMWGLSMVFG-UHFFFAOYSA-N -1 1 415.490 4.025 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1OC ZINC000447777250 871706676 /nfs/dbraw/zinc/70/66/76/871706676.db2.gz LKXVSHBNSSKKIL-UHFFFAOYSA-N -1 1 410.923 4.067 20 0 HIADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)cc2)n[nH]1 ZINC000447781713 871711421 /nfs/dbraw/zinc/71/14/21/871711421.db2.gz DCPXGTYXBWWYJD-UHFFFAOYSA-N -1 1 413.377 4.052 20 0 HIADMM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1ccc(OC(F)F)c(F)c1 ZINC000447793423 871730243 /nfs/dbraw/zinc/73/02/43/871730243.db2.gz CBOJLBQJUYHLRP-UHFFFAOYSA-N -1 1 414.327 4.202 20 0 HIADMM COc1ccc(NC(=O)N[C@@H]2C[C@H](C(C)C)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000447989992 871839529 /nfs/dbraw/zinc/83/95/29/871839529.db2.gz JTVGAMCTMXWAKB-QZTJIDSGSA-N -1 1 417.531 4.073 20 0 HIADMM COc1cc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc(Cl)c1[O-] ZINC000460133415 872621668 /nfs/dbraw/zinc/62/16/68/872621668.db2.gz NIHACQJCBIRKNF-UHFFFAOYSA-N -1 1 402.809 4.420 20 0 HIADMM COc1cc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc(Cl)c1[O-] ZINC000460204908 872783961 /nfs/dbraw/zinc/78/39/61/872783961.db2.gz VOAHFGOMYDGEIF-UHFFFAOYSA-N -1 1 410.297 4.186 20 0 HIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc1-c1ccccc1 ZINC000460427376 873089063 /nfs/dbraw/zinc/08/90/63/873089063.db2.gz MJYNUMABJKZFJE-CYBMUJFWSA-N -1 1 409.467 4.006 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cn3)no2)cc1 ZINC000460632481 873374448 /nfs/dbraw/zinc/37/44/48/873374448.db2.gz IPUKYEWRJSHNIA-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000460819868 873702376 /nfs/dbraw/zinc/70/23/76/873702376.db2.gz KLWRHZNCMHGQEZ-UHFFFAOYSA-N -1 1 410.495 4.146 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(CSC(C)C)c3C)cc21 ZINC000460819846 873702814 /nfs/dbraw/zinc/70/28/14/873702814.db2.gz KCIZWBVLQVUFHY-UHFFFAOYSA-N -1 1 418.584 4.346 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)cc(C)c1F ZINC000460830165 873716336 /nfs/dbraw/zinc/71/63/36/873716336.db2.gz RCLLGNXCDAAJJE-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)CC(F)(F)F)c2)c1 ZINC000468634636 882767377 /nfs/dbraw/zinc/76/73/77/882767377.db2.gz GVMSAJARZWGLAS-CQSZACIVSA-N -1 1 414.449 4.175 20 0 HIADMM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461106074 874027145 /nfs/dbraw/zinc/02/71/45/874027145.db2.gz GGPQCJPICGHYAB-QHCPKHFHSA-N -1 1 417.883 4.100 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)ccc1Br)c1cnn(-c2ccccc2)c1 ZINC000461117835 874043357 /nfs/dbraw/zinc/04/33/57/874043357.db2.gz AVMRLNNWXRKLPV-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000461205204 874205989 /nfs/dbraw/zinc/20/59/89/874205989.db2.gz WCULHKFIPNWMBF-AWEZNQCLSA-N -1 1 424.950 4.074 20 0 HIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3Br)cc2)c1C ZINC000461209487 874211974 /nfs/dbraw/zinc/21/19/74/874211974.db2.gz ARSMBWBAKFQZHY-UHFFFAOYSA-N -1 1 424.295 4.192 20 0 HIADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(Cl)c(Br)c3)ccc12 ZINC000461330542 874340767 /nfs/dbraw/zinc/34/07/67/874340767.db2.gz HTEDXFSVBLRRJL-UHFFFAOYSA-N -1 1 414.712 4.098 20 0 HIADMM O=S(=O)(CCc1ccccc1Br)[N-]c1ccccc1OC(F)F ZINC000461343010 874352836 /nfs/dbraw/zinc/35/28/36/874352836.db2.gz PIYIEQJXMSNMKU-UHFFFAOYSA-N -1 1 406.248 4.035 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C4CC4)ccn3)c2)c1 ZINC000461429256 874466690 /nfs/dbraw/zinc/46/66/90/874466690.db2.gz IRFXMPHVBSLHML-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)c2C1 ZINC000461433961 874484649 /nfs/dbraw/zinc/48/46/49/874484649.db2.gz RSAFJVJQKLWHRM-UHFFFAOYSA-N -1 1 414.449 4.153 20 0 HIADMM O=C([N-]c1cc(-c2nnc3n2CCCCC3)ccc1F)c1cc(-c2ccccn2)no1 ZINC000461990793 875111340 /nfs/dbraw/zinc/11/13/40/875111340.db2.gz CPIDRVYRXZLPCD-UHFFFAOYSA-N -1 1 418.432 4.113 20 0 HIADMM COc1cccc(Cc2nnc([N-]C(=O)c3sc(C(F)(F)F)nc3C)s2)c1 ZINC000462045115 875157738 /nfs/dbraw/zinc/15/77/38/875157738.db2.gz MULSIRJXVIWECT-UHFFFAOYSA-N -1 1 414.434 4.174 20 0 HIADMM CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)ccc2o1 ZINC000462073350 875183246 /nfs/dbraw/zinc/18/32/46/875183246.db2.gz HWDZHXWRRMVGQR-UHFFFAOYSA-N -1 1 408.863 4.278 20 0 HIADMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccco1 ZINC000462104752 875211669 /nfs/dbraw/zinc/21/16/69/875211669.db2.gz SURJBEKEOUJRSO-MRXNPFEDSA-N -1 1 417.430 4.436 20 0 HIADMM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000462315522 875436052 /nfs/dbraw/zinc/43/60/52/875436052.db2.gz JARJQJKYFCIUPC-NVXWUHKLSA-N -1 1 419.852 4.376 20 0 HIADMM CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000468890779 882935666 /nfs/dbraw/zinc/93/56/66/882935666.db2.gz IMGKMTMUOUPXLW-UHFFFAOYSA-N -1 1 415.393 4.175 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000462461940 875569139 /nfs/dbraw/zinc/56/91/39/875569139.db2.gz ZMFVOCQFBLSLJC-BDAKNGLRSA-N -1 1 406.289 4.218 20 0 HIADMM COc1ccc([C@@H]([N-]S(=O)(=O)c2c(C)noc2C)c2ccccc2Cl)c(C)c1 ZINC000462596303 875712873 /nfs/dbraw/zinc/71/28/73/875712873.db2.gz QFOLGDLDFDOFPU-LJQANCHMSA-N -1 1 420.918 4.330 20 0 HIADMM Cc1cc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc(-c2ccncc2)n1 ZINC000462860661 875893884 /nfs/dbraw/zinc/89/38/84/875893884.db2.gz GNMRIALUBMWRCJ-UHFFFAOYSA-N -1 1 418.478 4.440 20 0 HIADMM Cc1cncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000463243054 876299480 /nfs/dbraw/zinc/29/94/80/876299480.db2.gz PRZZCXIHDKXOCY-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM O=C(CCC(F)(F)F)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000463382978 876438073 /nfs/dbraw/zinc/43/80/73/876438073.db2.gz XAOSHGBEFNOUKJ-UHFFFAOYSA-N -1 1 408.348 4.047 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000463510661 876573962 /nfs/dbraw/zinc/57/39/62/876573962.db2.gz BLNDXYVNGRQTPI-UHFFFAOYSA-N -1 1 412.964 4.345 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)cc1F ZINC000463521935 876590659 /nfs/dbraw/zinc/59/06/59/876590659.db2.gz VYXBSKWWBXNCTE-UHFFFAOYSA-N -1 1 405.900 4.027 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1OC(C)C ZINC000463799046 876916224 /nfs/dbraw/zinc/91/62/24/876916224.db2.gz MIIFSHQXYISGDX-UHFFFAOYSA-N -1 1 405.394 4.182 20 0 HIADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000463889662 877012150 /nfs/dbraw/zinc/01/21/50/877012150.db2.gz BCTSTHXIPYFQST-ZIAGYGMSSA-N -1 1 410.486 4.320 20 0 HIADMM C[C@H]1CC[C@@H](CC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000469034297 883104573 /nfs/dbraw/zinc/10/45/73/883104573.db2.gz SYTCVTCUBBGCGR-ZWKOTPCHSA-N -1 1 400.544 4.272 20 0 HIADMM CCc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)s1 ZINC000464091076 877245550 /nfs/dbraw/zinc/24/55/50/877245550.db2.gz QDULIDNOYHZIRS-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM COCc1cccc(OCC2(CSc3nc(=O)cc([O-])n3C3CCCC3)CC2)c1 ZINC000503274836 912258842 /nfs/dbraw/zinc/25/88/42/912258842.db2.gz JKLOCGKMBIIJCC-UHFFFAOYSA-N -1 1 416.543 4.162 20 0 HIADMM COCc1cccc(OCC2(CSc3nc([O-])cc(=O)n3C3CCCC3)CC2)c1 ZINC000503274836 912258865 /nfs/dbraw/zinc/25/88/65/912258865.db2.gz JKLOCGKMBIIJCC-UHFFFAOYSA-N -1 1 416.543 4.162 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000464417476 877625305 /nfs/dbraw/zinc/62/53/05/877625305.db2.gz ONNAHFZVELXLCI-UHFFFAOYSA-N -1 1 400.422 4.195 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H]1c1ccccc1 ZINC000464559341 877776930 /nfs/dbraw/zinc/77/69/30/877776930.db2.gz JOIYVCBOTGBXIU-AOMKIAJQSA-N -1 1 424.497 4.460 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@@H]1c1ccccc1 ZINC000464561209 877778901 /nfs/dbraw/zinc/77/89/01/877778901.db2.gz OWAUSURNYNBEAW-ZHRRBRCNSA-N -1 1 424.497 4.460 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000464585549 877811137 /nfs/dbraw/zinc/81/11/37/877811137.db2.gz FFVQQNQIBRJGBQ-JOCHJYFZSA-N -1 1 418.534 4.208 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000464602870 877832034 /nfs/dbraw/zinc/83/20/34/877832034.db2.gz STNTWTKEXKFDQT-OAQYLSRUSA-N -1 1 404.507 4.279 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c(C)c1 ZINC000464830529 878086249 /nfs/dbraw/zinc/08/62/49/878086249.db2.gz AVWKMKRBBZCSBX-UHFFFAOYSA-N -1 1 401.406 4.077 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c(C)c1O ZINC000503345025 912322281 /nfs/dbraw/zinc/32/22/81/912322281.db2.gz QWLVKHITGBXHCX-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccncc1Cl ZINC000465052600 878416461 /nfs/dbraw/zinc/41/64/61/878416461.db2.gz CMWRHMUEVHIKHL-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1C[C@H]2CCC[C@@H]2C1 ZINC000465083500 878444701 /nfs/dbraw/zinc/44/47/01/878444701.db2.gz IKZIJDOJIPDYLX-HUUCEWRRSA-N -1 1 422.909 4.152 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000465085537 878448028 /nfs/dbraw/zinc/44/80/28/878448028.db2.gz SBDSOLZEWAWALG-IYBDPMFKSA-N -1 1 404.919 4.013 20 0 HIADMM Cc1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000465274018 878708414 /nfs/dbraw/zinc/70/84/14/878708414.db2.gz STTOQQRDGBHJHE-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)C[C@H]3CC)c2)cc1 ZINC000465290698 878728316 /nfs/dbraw/zinc/72/83/16/878728316.db2.gz IRGZNUMPYMCDJK-QFBILLFUSA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000465293250 878731015 /nfs/dbraw/zinc/73/10/15/878731015.db2.gz FPXHJTJWFYAVKP-KDOFPFPSSA-N -1 1 406.935 4.401 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000465293251 878731846 /nfs/dbraw/zinc/73/18/46/878731846.db2.gz FPXHJTJWFYAVKP-KSSFIOAISA-N -1 1 406.935 4.401 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000465300115 878743920 /nfs/dbraw/zinc/74/39/20/878743920.db2.gz ZUFQNDNEISTKLJ-UZLBHIALSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1nc(C)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)s1 ZINC000465397619 878834712 /nfs/dbraw/zinc/83/47/12/878834712.db2.gz SPWYNMSTBWMVBD-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM C[C@H](NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000465837151 879474044 /nfs/dbraw/zinc/47/40/44/879474044.db2.gz GZKGYORXDVEADZ-KRWDZBQOSA-N -1 1 415.559 4.255 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)C(C)(C)C)cc3)cc2F)c1 ZINC000466283925 880024850 /nfs/dbraw/zinc/02/48/50/880024850.db2.gz WAQPMHLTOMUNLH-UHFFFAOYSA-N -1 1 415.490 4.349 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc4nn(C(C)C)cc4c3)cc2F)c1 ZINC000466290147 880034991 /nfs/dbraw/zinc/03/49/91/880034991.db2.gz RQZZSWWSZNPRDE-UHFFFAOYSA-N -1 1 413.478 4.051 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(-c4nccs4)c3)cc2F)c1 ZINC000466341836 880098675 /nfs/dbraw/zinc/09/86/75/880098675.db2.gz AIIJZWQCUMMNMB-UHFFFAOYSA-N -1 1 414.487 4.244 20 0 HIADMM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1cnc2ccsc2c1 ZINC000466471650 880253904 /nfs/dbraw/zinc/25/39/04/880253904.db2.gz FLQQYHZPFUFNTO-UHFFFAOYSA-N -1 1 405.245 4.138 20 0 HIADMM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1cc(Br)sc1Cl ZINC000466754340 880535129 /nfs/dbraw/zinc/53/51/29/880535129.db2.gz SWCHKVCEYQMKEH-UHFFFAOYSA-N -1 1 405.726 4.124 20 0 HIADMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccc(F)cc1 ZINC000466882863 880648896 /nfs/dbraw/zinc/64/88/96/880648896.db2.gz YDHLCIDWSXABGD-AWEZNQCLSA-N -1 1 411.804 4.164 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3Nc3ccc(C)cc3)cc2oc1=O ZINC000466958047 880742483 /nfs/dbraw/zinc/74/24/83/880742483.db2.gz QFVATHOXZDPDTR-UHFFFAOYSA-N -1 1 423.494 4.467 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)c(C)c3)cc2oc1=O ZINC000467032608 880831174 /nfs/dbraw/zinc/83/11/74/880831174.db2.gz MVABTGXSEQIINR-UHFFFAOYSA-N -1 1 408.479 4.391 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(-n3nnnc3C3CC3)c2)c1 ZINC000467080357 880853189 /nfs/dbraw/zinc/85/31/89/880853189.db2.gz TXBLSOYLCWTFNA-UHFFFAOYSA-N -1 1 417.922 4.117 20 0 HIADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000467087128 880854783 /nfs/dbraw/zinc/85/47/83/880854783.db2.gz XIVRPIWKNAGCHD-UHFFFAOYSA-N -1 1 409.376 4.352 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@]3(C)CCCS3)cc2)c1 ZINC000467317407 881064202 /nfs/dbraw/zinc/06/42/02/881064202.db2.gz YCVOCLLTXONKFL-OAQYLSRUSA-N -1 1 418.584 4.120 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@]2(C)CCCS2)c1 ZINC000467319951 881067566 /nfs/dbraw/zinc/06/75/66/881067566.db2.gz QPVHTPYVJGWVFF-OAQYLSRUSA-N -1 1 418.584 4.120 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)cc1 ZINC000467406830 881192460 /nfs/dbraw/zinc/19/24/60/881192460.db2.gz LCEAARSYVQLPNM-UHFFFAOYSA-N -1 1 407.385 4.061 20 0 HIADMM O=S(=O)(CCc1ccccc1)[N-]c1ccc(Br)cc1C(F)(F)F ZINC000467427802 881218131 /nfs/dbraw/zinc/21/81/31/881218131.db2.gz ICEYUTMAKXZMOS-UHFFFAOYSA-N -1 1 408.239 4.452 20 0 HIADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)cc2)n[nH]1 ZINC000469093054 883180920 /nfs/dbraw/zinc/18/09/20/883180920.db2.gz SNYNJNLVUVHSED-UHFFFAOYSA-N -1 1 415.368 4.469 20 0 HIADMM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)nn1 ZINC000470389932 884794973 /nfs/dbraw/zinc/79/49/73/884794973.db2.gz VZQMEJVNQIDWBI-UHFFFAOYSA-N -1 1 420.429 4.232 20 0 HIADMM COc1ccc(NC(=O)N2CCCC3(CCCCC3)CC2)cc1[N-]S(C)(=O)=O ZINC000470428843 884829923 /nfs/dbraw/zinc/82/99/23/884829923.db2.gz NHZCMQSEJCZQEN-UHFFFAOYSA-N -1 1 409.552 4.035 20 0 HIADMM COc1ccc(-c2nc(CSc3nc(C4CC4)cc(=O)[n-]3)cs2)c(OC)c1 ZINC000470446244 884842726 /nfs/dbraw/zinc/84/27/26/884842726.db2.gz QAQJAYCFLVQWRO-UHFFFAOYSA-N -1 1 401.513 4.493 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)cc1OC ZINC000470450061 884846180 /nfs/dbraw/zinc/84/61/80/884846180.db2.gz SJAUALKNQJIQGK-UHFFFAOYSA-N -1 1 402.472 4.085 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000470450435 884846268 /nfs/dbraw/zinc/84/62/68/884846268.db2.gz ZWLYXOQSBZPIRR-LJQANCHMSA-N -1 1 415.515 4.258 20 0 HIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000470461141 884855221 /nfs/dbraw/zinc/85/52/21/884855221.db2.gz YBGQILOHSNVLHD-UHFFFAOYSA-N -1 1 419.890 4.115 20 0 HIADMM CCOc1cc(C(=O)Nc2c(C)cnn2Cc2ccccc2F)cc(Cl)c1[O-] ZINC000470562759 884979503 /nfs/dbraw/zinc/97/95/03/884979503.db2.gz JPSGGASOERLTOK-UHFFFAOYSA-N -1 1 403.841 4.389 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)CCC2CC2)c1 ZINC000470577591 884993769 /nfs/dbraw/zinc/99/37/69/884993769.db2.gz XKUKWEXIUIQYPH-QGZVFWFLSA-N -1 1 400.544 4.413 20 0 HIADMM CC1(C)CCC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000470857273 885352193 /nfs/dbraw/zinc/35/21/93/885352193.db2.gz DVMVGNKMOQNMJU-SFHVURJKSA-N -1 1 408.470 4.074 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000470856890 885352510 /nfs/dbraw/zinc/35/25/10/885352510.db2.gz CHSNMRDAJHOJIB-HZPDHXFCSA-N -1 1 420.481 4.028 20 0 HIADMM COc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2C)c(Cl)cc1C(=O)[O-] ZINC000471138182 885679798 /nfs/dbraw/zinc/67/97/98/885679798.db2.gz ZTPPEEXZVNRVQF-UHFFFAOYSA-N -1 1 423.796 4.175 20 0 HIADMM CCO[C@@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)C(C)C ZINC000471223301 885797288 /nfs/dbraw/zinc/79/72/88/885797288.db2.gz FJOGHTKLNFQGNZ-IBGZPJMESA-N -1 1 404.532 4.186 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)ccc1F ZINC000471602241 886317281 /nfs/dbraw/zinc/31/72/81/886317281.db2.gz OAXRPSSSVUJCKL-UHFFFAOYSA-N -1 1 408.838 4.476 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)ccc1F ZINC000471604849 886319862 /nfs/dbraw/zinc/31/98/62/886319862.db2.gz XYAITBZIVMMITJ-UHFFFAOYSA-N -1 1 424.469 4.293 20 0 HIADMM Cc1nc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2o1 ZINC000471643233 886359270 /nfs/dbraw/zinc/35/92/70/886359270.db2.gz PHSYNVDLCMKRJR-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM Cc1nc2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)ccc2o1 ZINC000471750301 886480256 /nfs/dbraw/zinc/48/02/56/886480256.db2.gz NPFFRDYJTFDCKE-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3oc4ccc(F)cc4c3C)CCCCCC2)no1 ZINC000471786235 886521067 /nfs/dbraw/zinc/52/10/67/886521067.db2.gz HGIMAJHFRMKMLC-UHFFFAOYSA-N -1 1 407.467 4.100 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C)cc1Cl ZINC000471943608 886744826 /nfs/dbraw/zinc/74/48/26/886744826.db2.gz PKHXUNLBPNOYOL-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000471996846 886823043 /nfs/dbraw/zinc/82/30/43/886823043.db2.gz DJCCINLIVDWTIT-UHFFFAOYSA-N -1 1 412.555 4.399 20 0 HIADMM CCC1(CC)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC000504203817 913084054 /nfs/dbraw/zinc/08/40/54/913084054.db2.gz TWRZMHAOZGDAFV-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000472245647 887056143 /nfs/dbraw/zinc/05/61/43/887056143.db2.gz CLLYTSYHSMQSPA-OXJNMPFZSA-N -1 1 416.518 4.340 20 0 HIADMM CC(C)(C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C(F)F ZINC000472490383 887356483 /nfs/dbraw/zinc/35/64/83/887356483.db2.gz XDVVMJMQHQIVKG-UHFFFAOYSA-N -1 1 418.849 4.076 20 0 HIADMM Cc1cc2c(cc1C)[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c3ccccc3)c1)CO2 ZINC000472730896 887577396 /nfs/dbraw/zinc/57/73/96/887577396.db2.gz KPTZFFBMVNOYPG-OAQYLSRUSA-N -1 1 422.506 4.219 20 0 HIADMM CN(C)c1cccc(CCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000473304618 888054095 /nfs/dbraw/zinc/05/40/95/888054095.db2.gz RZYLFDCWCYXZQK-UHFFFAOYSA-N -1 1 423.538 4.125 20 0 HIADMM CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000473468311 888192639 /nfs/dbraw/zinc/19/26/39/888192639.db2.gz JMXGBVHCBNMHBN-SFHVURJKSA-N -1 1 412.939 4.091 20 0 HIADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000473470834 888195765 /nfs/dbraw/zinc/19/57/65/888195765.db2.gz LVOJYFNKYXIERR-UHFFFAOYSA-N -1 1 401.406 4.077 20 0 HIADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H](C)c1ccccc1 ZINC000473522379 888256354 /nfs/dbraw/zinc/25/63/54/888256354.db2.gz FYUMFLWUNFBHMX-ZWKOTPCHSA-N -1 1 408.523 4.409 20 0 HIADMM COc1csc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000473666381 888422592 /nfs/dbraw/zinc/42/25/92/888422592.db2.gz YFGULWQUSJFNRS-UHFFFAOYSA-N -1 1 422.915 4.463 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2cccc(O)c2)cc1 ZINC000473935638 888814262 /nfs/dbraw/zinc/81/42/62/888814262.db2.gz FEHYRNULIPKHOV-QGZVFWFLSA-N -1 1 424.522 4.335 20 0 HIADMM CCC1(CNC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCCC1 ZINC000474019725 888872434 /nfs/dbraw/zinc/87/24/34/888872434.db2.gz HWANXBMDZUFTME-UHFFFAOYSA-N -1 1 415.559 4.257 20 0 HIADMM CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000474086653 888911697 /nfs/dbraw/zinc/91/16/97/888911697.db2.gz CTPNNFKLIDNWEX-UGSOOPFHSA-N -1 1 410.923 4.140 20 0 HIADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000474192567 889031247 /nfs/dbraw/zinc/03/12/47/889031247.db2.gz CBRHWVWRKNYVBG-FOIQADDNSA-N -1 1 404.532 4.104 20 0 HIADMM O=C(C/C=C/c1ccc(F)cc1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000474320114 889186151 /nfs/dbraw/zinc/18/61/51/889186151.db2.gz PCLMIDMBSGMYQN-VOTSOKGWSA-N -1 1 424.497 4.346 20 0 HIADMM COc1cc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1OC1CCCC1 ZINC000474476623 889336941 /nfs/dbraw/zinc/33/69/41/889336941.db2.gz KPCFMWZVUWYWIV-UHFFFAOYSA-N -1 1 413.518 4.048 20 0 HIADMM COc1cc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1OC(C)C ZINC000474495918 889357108 /nfs/dbraw/zinc/35/71/08/889357108.db2.gz NBCCJXXZUUGPPI-CYBMUJFWSA-N -1 1 401.507 4.075 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000474536311 889410805 /nfs/dbraw/zinc/41/08/05/889410805.db2.gz FATPCGHIJCAVDW-AWEZNQCLSA-N -1 1 410.518 4.055 20 0 HIADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000474771636 889629515 /nfs/dbraw/zinc/62/95/15/889629515.db2.gz BIYRPPFWFOUIRW-WBVHZDCISA-N -1 1 420.506 4.160 20 0 HIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1cc2sc(N3CCCC3)nc2s1 ZINC000475125586 889985333 /nfs/dbraw/zinc/98/53/33/889985333.db2.gz UFTFNBHDCXHWRQ-UHFFFAOYSA-N -1 1 403.514 4.322 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2ccc(S[C@H](C)C(=O)[O-])cc2)c(Cl)cc1F ZINC000504666810 913406918 /nfs/dbraw/zinc/40/69/18/913406918.db2.gz ZJNXUXOGCRKZBR-SNVBAGLBSA-N -1 1 403.884 4.154 20 0 HIADMM CC[C@@H](C)CN(CC)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475337648 890257183 /nfs/dbraw/zinc/25/71/83/890257183.db2.gz QPBODXDJGWXJDN-MRXNPFEDSA-N -1 1 421.538 4.204 20 0 HIADMM C[C@H]1CCCCCN1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475340689 890261336 /nfs/dbraw/zinc/26/13/36/890261336.db2.gz XMFPOFBCSNQNHQ-INIZCTEOSA-N -1 1 419.522 4.101 20 0 HIADMM COc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)o2)cc1[N-]S(C)(=O)=O ZINC000475392937 890319581 /nfs/dbraw/zinc/31/95/81/890319581.db2.gz PIBYSZDNCZNQJR-KRWDZBQOSA-N -1 1 421.519 4.117 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1coc2cc(F)ccc12 ZINC000475535789 890459849 /nfs/dbraw/zinc/45/98/49/890459849.db2.gz HJWBZKBWIKNMKW-UHFFFAOYSA-N -1 1 424.453 4.303 20 0 HIADMM CN(C)Cc1cnc(/C=C\c2cc(C(=O)[O-])c3ccc(Br)cc3n2)s1 ZINC000504721946 913456148 /nfs/dbraw/zinc/45/61/48/913456148.db2.gz RWBYGJCRNSBWKI-XQRVVYSFSA-N -1 1 418.316 4.384 20 0 HIADMM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1F ZINC000475742135 890684612 /nfs/dbraw/zinc/68/46/12/890684612.db2.gz LRQGZISCRAQXSD-UHFFFAOYSA-N -1 1 416.877 4.208 20 0 HIADMM O=C(N[C@@H]1CCCOc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000504742996 913481135 /nfs/dbraw/zinc/48/11/35/913481135.db2.gz ZCDZESGIRKPAEA-OAQYLSRUSA-N -1 1 422.506 4.131 20 0 HIADMM CCC1(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCCC1 ZINC000475792694 890731587 /nfs/dbraw/zinc/73/15/87/890731587.db2.gz CXQUKTPGDZOCJG-UHFFFAOYSA-N -1 1 404.507 4.213 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c(Br)c1 ZINC000475795787 890733310 /nfs/dbraw/zinc/73/33/10/890733310.db2.gz YDUIVWARFCSPEX-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cccc1NC(=O)N(C)C ZINC000475829739 890763567 /nfs/dbraw/zinc/76/35/67/890763567.db2.gz MGSGGEPYXZUKJZ-UHFFFAOYSA-N -1 1 402.303 4.196 20 0 HIADMM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cs1 ZINC000475837574 890770885 /nfs/dbraw/zinc/77/08/85/890770885.db2.gz UEXQMKKAQXORGA-UHFFFAOYSA-N -1 1 413.524 4.046 20 0 HIADMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c1 ZINC000475840117 890773621 /nfs/dbraw/zinc/77/36/21/890773621.db2.gz XFUQOZDSEFASSF-UHFFFAOYSA-N -1 1 414.458 4.092 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c(F)ccc(F)c1F ZINC000475999192 890924619 /nfs/dbraw/zinc/92/46/19/890924619.db2.gz PHHFQSVSMCLJPY-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CCCc2c(O)cccc21 ZINC000476065988 890995257 /nfs/dbraw/zinc/99/52/57/890995257.db2.gz XFBHEGBHXPBADA-OAQYLSRUSA-N -1 1 422.506 4.252 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000476279436 891198499 /nfs/dbraw/zinc/19/84/99/891198499.db2.gz SKOIAXQZYWRYBO-UHFFFAOYSA-N -1 1 400.422 4.409 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c(-c2nc(C3CC3)no2)c1 ZINC000476385893 891299641 /nfs/dbraw/zinc/29/96/41/891299641.db2.gz LOCRFVSKWNKAHU-ZDUSSCGKSA-N -1 1 411.483 4.047 20 0 HIADMM CC(C)[C@]1(C)C[C@H]1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000476386878 891300906 /nfs/dbraw/zinc/30/09/06/891300906.db2.gz GVCURPMVYXDWSN-UNMCSNQZSA-N -1 1 400.544 4.128 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000476396642 891314106 /nfs/dbraw/zinc/31/41/06/891314106.db2.gz MVELFIUBMLOAKV-UHFFFAOYSA-N -1 1 412.433 4.472 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)c1 ZINC000476411551 891323454 /nfs/dbraw/zinc/32/34/54/891323454.db2.gz YRVKPLMYIFFEPC-UHFFFAOYSA-N -1 1 404.507 4.306 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)c1 ZINC000476427484 891339033 /nfs/dbraw/zinc/33/90/33/891339033.db2.gz ZLJXFRRPUWMQNN-HOTGVXAUSA-N -1 1 418.534 4.361 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c2ccccc12 ZINC000477255695 892208905 /nfs/dbraw/zinc/20/89/05/892208905.db2.gz WBRBNIKFPVPNOH-UHFFFAOYSA-N -1 1 407.451 4.254 20 0 HIADMM O=C(COC/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000477321884 892285663 /nfs/dbraw/zinc/28/56/63/892285663.db2.gz QMJDNFPTRCDFHL-DHZHZOJOSA-N -1 1 422.506 4.156 20 0 HIADMM O=C(COC/C=C\c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000477510518 892522716 /nfs/dbraw/zinc/52/27/16/892522716.db2.gz XEBXQCQGJSKBDJ-YFHOEESVSA-N -1 1 422.506 4.156 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@H]1CC12CCCCC2 ZINC000477780119 892862773 /nfs/dbraw/zinc/86/27/73/892862773.db2.gz NTMQQAHMGXFJGJ-HXUWFJFHSA-N -1 1 416.518 4.213 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cnccc3C)cc2)c1 ZINC000477928493 893018315 /nfs/dbraw/zinc/01/83/15/893018315.db2.gz DNIGFYMVQKRBDD-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1csc(-c2cnccn2)n1 ZINC000478043628 893181672 /nfs/dbraw/zinc/18/16/72/893181672.db2.gz VNIHCVRCDKXFBU-UHFFFAOYSA-N -1 1 418.554 4.058 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H](C)C3)cc2)c1C ZINC000478056586 893212285 /nfs/dbraw/zinc/21/22/85/893212285.db2.gz ZFWMXPQWFPZTPT-MRXNPFEDSA-N -1 1 400.544 4.366 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000478214842 893375981 /nfs/dbraw/zinc/37/59/81/893375981.db2.gz VTENERRQSQABBV-IBGZPJMESA-N -1 1 424.497 4.256 20 0 HIADMM CCN(CC1CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000478280828 893484289 /nfs/dbraw/zinc/48/42/89/893484289.db2.gz NEJZUIIBCFBRNW-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CCN(CC1CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000478308209 893529235 /nfs/dbraw/zinc/52/92/35/893529235.db2.gz KJEXEPVQUZGZOS-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(C3CCCC3)no2)c1)c1ccc(F)c(F)c1 ZINC000505072864 913805311 /nfs/dbraw/zinc/80/53/11/913805311.db2.gz BALMJSGVPMOGLP-UHFFFAOYSA-N -1 1 405.426 4.473 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(CC2CC2)C2CCC2)cc1 ZINC000478615574 893877527 /nfs/dbraw/zinc/87/75/27/893877527.db2.gz NHWNREARDPLKNN-UHFFFAOYSA-N -1 1 416.518 4.340 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2cnn(C)c2)c2ccccc12 ZINC000478702780 893964973 /nfs/dbraw/zinc/96/49/73/893964973.db2.gz KTQXCVUWEAIPDK-UHFFFAOYSA-N -1 1 411.458 4.189 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000505123099 913829526 /nfs/dbraw/zinc/82/95/26/913829526.db2.gz DXDAMJKSGXYHDJ-CQSZACIVSA-N -1 1 412.559 4.362 20 0 HIADMM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(-c4c(F)cccc4Cl)s3)nn2)cc1 ZINC000478781219 894057852 /nfs/dbraw/zinc/05/78/52/894057852.db2.gz INMNJCDALRNNKS-UHFFFAOYSA-N -1 1 414.853 4.139 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccnc2ccccc21 ZINC000479043277 894305497 /nfs/dbraw/zinc/30/54/97/894305497.db2.gz WPPOBWNCRMSIRW-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CSCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000479070388 894334160 /nfs/dbraw/zinc/33/41/60/894334160.db2.gz QEIBELGOPVDGMK-UHFFFAOYSA-N -1 1 406.573 4.059 20 0 HIADMM CC[C@H](C)CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000505179274 913865076 /nfs/dbraw/zinc/86/50/76/913865076.db2.gz GLNSGPDAJGRERE-HNNXBMFYSA-N -1 1 418.515 4.023 20 0 HIADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc2nc(-c3cccs3)[nH]c2c1 ZINC000479125709 894394157 /nfs/dbraw/zinc/39/41/57/894394157.db2.gz AYUNHCKDFGORKS-UHFFFAOYSA-N -1 1 415.496 4.109 20 0 HIADMM Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000479253315 894518707 /nfs/dbraw/zinc/51/87/07/894518707.db2.gz CNRIUMLNOLURJC-UHFFFAOYSA-N -1 1 422.550 4.295 20 0 HIADMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1C ZINC000479280274 894558693 /nfs/dbraw/zinc/55/86/93/894558693.db2.gz LKOKXZXVBQQVKU-UHFFFAOYSA-N -1 1 415.536 4.175 20 0 HIADMM COc1cc(F)c(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)cc1OC ZINC000479295789 894577510 /nfs/dbraw/zinc/57/75/10/894577510.db2.gz MDQIILDVVXVEGB-UHFFFAOYSA-N -1 1 416.883 4.215 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)C(F)(F)F)c2)c1 ZINC000479389415 894691759 /nfs/dbraw/zinc/69/17/59/894691759.db2.gz XGKZPWSHMPTOFP-CQSZACIVSA-N -1 1 414.449 4.032 20 0 HIADMM O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479485468 894806995 /nfs/dbraw/zinc/80/69/95/894806995.db2.gz VVUZZBWKWKEGMA-UHFFFAOYSA-N -1 1 415.540 4.160 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000479487129 894808128 /nfs/dbraw/zinc/80/81/28/894808128.db2.gz HMRDDCSKRKSEQL-UHFFFAOYSA-N -1 1 423.853 4.137 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1OCC1CCOCC1 ZINC000479490728 894810633 /nfs/dbraw/zinc/81/06/33/894810633.db2.gz UIPSMNNBAFHKIZ-UHFFFAOYSA-N -1 1 418.540 4.211 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1)c1cccs1 ZINC000479500710 894818093 /nfs/dbraw/zinc/81/80/93/894818093.db2.gz IABCQRWBWFZBMC-UHFFFAOYSA-N -1 1 415.521 4.411 20 0 HIADMM COc1cc(O)cc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)c1 ZINC000479554370 894853081 /nfs/dbraw/zinc/85/30/81/894853081.db2.gz BQHGDGRALZBGSZ-UHFFFAOYSA-N -1 1 408.273 4.117 20 0 HIADMM CN1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc2NC1=O ZINC000479555928 894854514 /nfs/dbraw/zinc/85/45/14/894854514.db2.gz PQHTWIBKOIZWGF-UHFFFAOYSA-N -1 1 419.812 4.137 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(C(F)(F)F)c3)cc21 ZINC000479566484 894862871 /nfs/dbraw/zinc/86/28/71/894862871.db2.gz DHLAETAUONHWRY-UHFFFAOYSA-N -1 1 418.824 4.069 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)ccc1C ZINC000479575977 894867584 /nfs/dbraw/zinc/86/75/84/894867584.db2.gz GUQWEVSLZOYOIH-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)c(C)c1 ZINC000505294221 913953437 /nfs/dbraw/zinc/95/34/37/913953437.db2.gz RTNCAVOAHSUANX-UHFFFAOYSA-N -1 1 407.385 4.275 20 0 HIADMM COCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccc(C)o1 ZINC000479978203 895330590 /nfs/dbraw/zinc/33/05/90/895330590.db2.gz JFLMTWHGOSTIBE-ZDUSSCGKSA-N -1 1 411.829 4.316 20 0 HIADMM CC[C@H](C)CN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000480182293 895575943 /nfs/dbraw/zinc/57/59/43/895575943.db2.gz PPPSFGAOZLXQOG-AWEZNQCLSA-N -1 1 410.486 4.274 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc(CC(F)(F)F)cc1 ZINC000480193462 895591087 /nfs/dbraw/zinc/59/10/87/895591087.db2.gz RWFKECGPMXRRBS-UHFFFAOYSA-N -1 1 422.432 4.255 20 0 HIADMM CC(C)[C@@H]1N(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CC1(C)C ZINC000480458451 895845226 /nfs/dbraw/zinc/84/52/26/895845226.db2.gz ICEYUFYVANWLLI-IBGZPJMESA-N -1 1 422.497 4.272 20 0 HIADMM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000480513842 895879891 /nfs/dbraw/zinc/87/98/91/895879891.db2.gz SFKCTWYVEXAHAR-UHFFFAOYSA-N -1 1 409.496 4.441 20 0 HIADMM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1sccc1Br ZINC000480748060 896109570 /nfs/dbraw/zinc/10/95/70/896109570.db2.gz GGSOYGMYMKUDGN-DGCLKSJQSA-N -1 1 404.326 4.264 20 0 HIADMM Cc1cccc(C)c1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000480892413 896248696 /nfs/dbraw/zinc/24/86/96/896248696.db2.gz AQYBVIRPPWKPAI-UHFFFAOYSA-N -1 1 412.486 4.425 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CC[C@H](C2CC2)C1 ZINC000481034410 896361920 /nfs/dbraw/zinc/36/19/20/896361920.db2.gz HMONOARYFAQROP-HNNXBMFYSA-N -1 1 422.909 4.152 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC[C@H]3C(F)F)c2)c1 ZINC000505430860 914095054 /nfs/dbraw/zinc/09/50/54/914095054.db2.gz JQSBLWJYBLBTLG-SFHVURJKSA-N -1 1 408.470 4.056 20 0 HIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000481724958 897119726 /nfs/dbraw/zinc/11/97/26/897119726.db2.gz DAJVURYDZAIAJS-UHFFFAOYSA-N -1 1 416.308 4.325 20 0 HIADMM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000481844135 897210215 /nfs/dbraw/zinc/21/02/15/897210215.db2.gz SZJCRIYXRMKJDR-MRXNPFEDSA-N -1 1 416.481 4.417 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c3ncccc23)cc1 ZINC000481855249 897221198 /nfs/dbraw/zinc/22/11/98/897221198.db2.gz LUDPLNCOXVYZDU-UHFFFAOYSA-N -1 1 411.527 4.172 20 0 HIADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)OC ZINC000481861191 897229484 /nfs/dbraw/zinc/22/94/84/897229484.db2.gz BFFMGPDLCBXPQB-UHFFFAOYSA-N -1 1 412.511 4.255 20 0 HIADMM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1cc(F)c(Br)cc1F ZINC000481880137 897252620 /nfs/dbraw/zinc/25/26/20/897252620.db2.gz BOKFFAZWZGGFKT-UHFFFAOYSA-N -1 1 424.650 4.116 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1Cl ZINC000481956328 897345883 /nfs/dbraw/zinc/34/58/83/897345883.db2.gz ICABPPRBAPOAJV-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1Cl ZINC000481963069 897353626 /nfs/dbraw/zinc/35/36/26/897353626.db2.gz KEDWZIAKBFAHCL-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccc(F)cc1Br ZINC000481967713 897357908 /nfs/dbraw/zinc/35/79/08/897357908.db2.gz XTMFJIDGBYRSTA-UHFFFAOYSA-N -1 1 410.211 4.033 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1Cl ZINC000481976658 897369487 /nfs/dbraw/zinc/36/94/87/897369487.db2.gz VWSRUUFIPHOSLO-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM COc1ccc2c(c1NC(=O)c1ccc([N-]S(=O)(=O)c3ccccc3)cc1)CCC2 ZINC000482027584 897436263 /nfs/dbraw/zinc/43/62/63/897436263.db2.gz RSEYTWKUYUOKOP-UHFFFAOYSA-N -1 1 422.506 4.237 20 0 HIADMM COc1cc(Cl)c(Cl)cc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000482043539 897463674 /nfs/dbraw/zinc/46/36/74/897463674.db2.gz OUDLPOXUYGGYOP-UHFFFAOYSA-N -1 1 402.303 4.099 20 0 HIADMM Cc1c2ccccc2oc1[C@H](C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000482184469 897654289 /nfs/dbraw/zinc/65/42/89/897654289.db2.gz SZJCRIYXRMKJDR-INIZCTEOSA-N -1 1 416.481 4.417 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000505523071 914215024 /nfs/dbraw/zinc/21/50/24/914215024.db2.gz YHSQALHPXVESIK-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(COC3CCOCC3)c2)c1 ZINC000482675412 898277305 /nfs/dbraw/zinc/27/73/05/898277305.db2.gz QUWWKQQBZROCHQ-UHFFFAOYSA-N -1 1 420.303 4.411 20 0 HIADMM COc1cc2cc(C(=O)Nc3cc(C)cc(Br)c3[O-])[nH]c2cc1OC ZINC000482688403 898289358 /nfs/dbraw/zinc/28/93/58/898289358.db2.gz DHQRAAPSISLNQZ-UHFFFAOYSA-N -1 1 405.248 4.214 20 0 HIADMM CCc1ccnc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)n2)c1 ZINC000482728430 898330408 /nfs/dbraw/zinc/33/04/08/898330408.db2.gz NWPLWBJWMKDAPM-UHFFFAOYSA-N -1 1 424.457 4.301 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccn(C(C)C)n3)cc2)c1 ZINC000482746921 898351802 /nfs/dbraw/zinc/35/18/02/898351802.db2.gz MWLDPUDIDZZGQK-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000483039232 898707087 /nfs/dbraw/zinc/70/70/87/898707087.db2.gz IPLSILXZRYDEPF-AWEZNQCLSA-N -1 1 417.494 4.397 20 0 HIADMM COc1cccc(-c2nsc(NC([O-])=C[C@H](c3ccccc3)C(F)(F)F)n2)c1 ZINC000484335482 899887740 /nfs/dbraw/zinc/88/77/40/899887740.db2.gz PLLFNRRQJWNRRS-OAHLLOKOSA-N -1 1 407.417 4.310 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000484666830 900110385 /nfs/dbraw/zinc/11/03/85/900110385.db2.gz BRZZGXVCOQOTSL-UHFFFAOYSA-N -1 1 404.875 4.475 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C)C2CCCC2)cc1 ZINC000505737772 914416825 /nfs/dbraw/zinc/41/68/25/914416825.db2.gz ZWGMGTBBPWMDHL-OAHLLOKOSA-N -1 1 404.507 4.243 20 0 HIADMM Cc1cc(S(N)(=O)=O)sc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000484770645 900184910 /nfs/dbraw/zinc/18/49/10/900184910.db2.gz XNSSZFBMDREUFU-UHFFFAOYSA-N -1 1 414.921 4.359 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2cccc(F)c2)c(F)c1)c1ccc2c(c1)COC2 ZINC000485102529 900411495 /nfs/dbraw/zinc/41/14/95/900411495.db2.gz RKEJVJWBZOABNK-UHFFFAOYSA-N -1 1 417.433 4.375 20 0 HIADMM COc1ccc(C[C@H](C)C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1OC ZINC000485116070 900421205 /nfs/dbraw/zinc/42/12/05/900421205.db2.gz ZTIGNQZBHHRRKB-ZDUSSCGKSA-N -1 1 406.442 4.052 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(Cl)c1 ZINC000485128373 900431942 /nfs/dbraw/zinc/43/19/42/900431942.db2.gz WVUGRVDAJBPYLQ-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM COc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)cc1C(=O)[O-] ZINC000485270638 900551004 /nfs/dbraw/zinc/55/10/04/900551004.db2.gz GNJGPZUUNNEYQH-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM O=C(CCOc1cccc(I)c1)Nc1ccc([O-])c(Cl)c1 ZINC000485752550 901008031 /nfs/dbraw/zinc/00/80/31/901008031.db2.gz AHXPRPNWXOLZQH-UHFFFAOYSA-N -1 1 417.630 4.058 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1)NC1CC1 ZINC000485810785 901059570 /nfs/dbraw/zinc/05/95/70/901059570.db2.gz DFLDYCWOPJULIX-UHFFFAOYSA-N -1 1 407.495 4.438 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1OC1CC1 ZINC000485815530 901065025 /nfs/dbraw/zinc/06/50/25/901065025.db2.gz BEUXICJYPBOINP-UHFFFAOYSA-N -1 1 408.479 4.281 20 0 HIADMM CSc1nc(C)c(CCc2nc(-c3cccc(Br)c3C)no2)c(=O)[n-]1 ZINC000485849924 901094455 /nfs/dbraw/zinc/09/44/55/901094455.db2.gz DNAKHSWWNLBQCB-UHFFFAOYSA-N -1 1 421.320 4.119 20 0 HIADMM O=C(NCCc1cc(Br)ccc1F)c1ccc(Br)c([O-])c1 ZINC000485967271 901183897 /nfs/dbraw/zinc/18/38/97/901183897.db2.gz OTZBMADRAMFIFV-UHFFFAOYSA-N -1 1 417.072 4.029 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)c(C)c1C(=O)[O-] ZINC000486092474 901280986 /nfs/dbraw/zinc/28/09/86/901280986.db2.gz ZDJCCMFNJGDXMI-UHFFFAOYSA-N -1 1 407.536 4.168 20 0 HIADMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000486186352 901372193 /nfs/dbraw/zinc/37/21/93/901372193.db2.gz MEVHZVHUOSEBDR-UHFFFAOYSA-N -1 1 423.922 4.173 20 0 HIADMM Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000486255784 901439126 /nfs/dbraw/zinc/43/91/26/901439126.db2.gz LADUXYJUEPUHHI-UHFFFAOYSA-N -1 1 411.911 4.027 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(OCCc2ccccc2)CC1 ZINC000486420455 901577915 /nfs/dbraw/zinc/57/79/15/901577915.db2.gz DDIIHYJZCXUWRO-UHFFFAOYSA-N -1 1 404.304 4.019 20 0 HIADMM CC[C@H](c1ccncc1)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486424302 901582137 /nfs/dbraw/zinc/58/21/37/901582137.db2.gz MKKILMIQSPAIKE-OAHLLOKOSA-N -1 1 400.276 4.321 20 0 HIADMM Cc1ccsc1S(=O)(=O)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000486664133 901783213 /nfs/dbraw/zinc/78/32/13/901783213.db2.gz ZJGUQWAEEDKJBY-LLVKDONJSA-N -1 1 401.378 4.240 20 0 HIADMM COCCOc1ccc(Br)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000487186329 902091420 /nfs/dbraw/zinc/09/14/20/902091420.db2.gz BDLUDHNZKNXJBC-UHFFFAOYSA-N -1 1 415.671 4.477 20 0 HIADMM COC(=O)c1ccc([C@@H](NC(=O)Nc2ccc([O-])c(Cl)c2)C(F)(F)F)cc1 ZINC000487202954 902099208 /nfs/dbraw/zinc/09/92/08/902099208.db2.gz VHJMFPBHFZTVEX-CQSZACIVSA-N -1 1 402.756 4.257 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c(=O)[n-]1 ZINC000487265696 902126796 /nfs/dbraw/zinc/12/67/96/902126796.db2.gz NUGOZLMQOOBSEL-XUVXKRRUSA-N -1 1 411.571 4.330 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Br ZINC000487297419 902139950 /nfs/dbraw/zinc/13/99/50/902139950.db2.gz KPENXANZILVREE-UHFFFAOYSA-N -1 1 410.211 4.277 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1 ZINC000487297431 902140243 /nfs/dbraw/zinc/14/02/43/902140243.db2.gz KUYFIPANPOKXGE-UHFFFAOYSA-N -1 1 423.600 4.498 20 0 HIADMM CN1Cc2cc([N-]S(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)ccc2NC1=O ZINC000488223308 902703165 /nfs/dbraw/zinc/70/31/65/902703165.db2.gz QRNDXPYJBDXNGL-UHFFFAOYSA-N -1 1 419.812 4.137 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488245252 902719476 /nfs/dbraw/zinc/71/94/76/902719476.db2.gz BFGHEHKVBUNNBO-AWEZNQCLSA-N -1 1 417.861 4.367 20 0 HIADMM O=C(NCc1coc2ccccc12)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000488924688 903079525 /nfs/dbraw/zinc/07/95/25/903079525.db2.gz OIJWMTCZPLHWSG-UHFFFAOYSA-N -1 1 424.453 4.303 20 0 HIADMM O=C(NC1(c2cccc(Br)c2)CC1)c1ccc(Br)c([O-])c1 ZINC000489603061 903492204 /nfs/dbraw/zinc/49/22/04/903492204.db2.gz HPRSSRBAPXLHHL-UHFFFAOYSA-N -1 1 411.093 4.336 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cccc(OCc4cccnc4)c3)ccc21 ZINC000489754753 903580530 /nfs/dbraw/zinc/58/05/30/903580530.db2.gz STAXTOVIPWNLSN-UHFFFAOYSA-N -1 1 422.510 4.392 20 0 HIADMM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000490062252 903751284 /nfs/dbraw/zinc/75/12/84/903751284.db2.gz PHBFSYMKXXXNKO-LBPRGKRZSA-N -1 1 400.276 4.140 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([C@@H]4C[C@H]4C)[nH]n3)ccc2C)cc1 ZINC000490262099 903860726 /nfs/dbraw/zinc/86/07/26/903860726.db2.gz SSSROVYARDLUOV-CRAIPNDOSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([C@H]4C[C@@H]4C)[nH]n3)cc2)cc1C ZINC000490277736 903871813 /nfs/dbraw/zinc/87/18/13/903871813.db2.gz VKWIPLSJIKCRCO-KXBFYZLASA-N -1 1 424.526 4.203 20 0 HIADMM Cc1csc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)cc2)n1 ZINC000506057944 914760864 /nfs/dbraw/zinc/76/08/64/914760864.db2.gz HSDFXPXLZCUCBH-UHFFFAOYSA-N -1 1 419.528 4.041 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nc1-c1ccccc1 ZINC000490413316 903995580 /nfs/dbraw/zinc/99/55/80/903995580.db2.gz LSBYBNGBSLXLEK-QGZVFWFLSA-N -1 1 411.527 4.111 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2ccc(-c3ccccc3)c(C)c2)c(=O)[n-]1 ZINC000490443562 904014765 /nfs/dbraw/zinc/01/47/65/904014765.db2.gz KBWBWAOLOPTKQB-UHFFFAOYSA-N -1 1 407.539 4.437 20 0 HIADMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 ZINC000491855972 904713108 /nfs/dbraw/zinc/71/31/08/904713108.db2.gz YWDKBYCMFJXPHY-UHFFFAOYSA-N -1 1 421.478 4.048 20 0 HIADMM CC1(C)C[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000492513534 904861445 /nfs/dbraw/zinc/86/14/45/904861445.db2.gz WMXPDRODKCMPPA-MRXNPFEDSA-N -1 1 413.326 4.323 20 0 HIADMM COc1c(Cl)cc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1Cl ZINC000506244016 914861038 /nfs/dbraw/zinc/86/10/38/914861038.db2.gz RTMFIMADPYQEIC-UHFFFAOYSA-N -1 1 402.303 4.099 20 0 HIADMM Cc1cc2[nH]ncc2cc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000506271255 914875189 /nfs/dbraw/zinc/87/51/89/914875189.db2.gz XCCGOLUDKMALRK-UHFFFAOYSA-N -1 1 401.348 4.034 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCc4occc43)c2)cc1 ZINC000493381390 905099374 /nfs/dbraw/zinc/09/93/74/905099374.db2.gz BBBJAGRYEKPKIA-FQEVSTJZSA-N -1 1 410.495 4.196 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC/C=C/c2ccccc2)cc1 ZINC000493865298 905234857 /nfs/dbraw/zinc/23/48/57/905234857.db2.gz RHQNLHZHJCLBBA-VMPITWQZSA-N -1 1 424.497 4.378 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC(C)(C)C3)c2)cc1F ZINC000494156706 905491618 /nfs/dbraw/zinc/49/16/18/905491618.db2.gz MXCJBRFHDFOGQJ-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCCC[C@@H]2C)c1 ZINC000512448436 921168905 /nfs/dbraw/zinc/16/89/05/921168905.db2.gz SWFBPGXXZQIMOP-INIZCTEOSA-N -1 1 404.507 4.340 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC(C)(C)C3)cc2)c1C ZINC000494484615 905768137 /nfs/dbraw/zinc/76/81/37/905768137.db2.gz INCKDWDLTPRDDG-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000494650657 905882665 /nfs/dbraw/zinc/88/26/65/905882665.db2.gz TWMBOMRYZNKJIF-UHFFFAOYSA-N -1 1 411.483 4.368 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000495456790 906462911 /nfs/dbraw/zinc/46/29/11/906462911.db2.gz JPQHDELEMIPEHY-GFCCVEGCSA-N -1 1 419.250 4.455 20 0 HIADMM Clc1ccc(-c2nnc(SCc3nn[n-]n3)n2-c2ccccc2)c(Cl)c1 ZINC000497233658 906824074 /nfs/dbraw/zinc/82/40/74/906824074.db2.gz YIHHWHNQZGKXOZ-UHFFFAOYSA-N -1 1 404.286 4.047 20 0 HIADMM O=C(N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)c1nc2ccccc2c(=O)[n-]1 ZINC000497739718 907236629 /nfs/dbraw/zinc/23/66/29/907236629.db2.gz POSRBILURFNQOW-NRFANRHFSA-N -1 1 415.518 4.383 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccccc3N3CCCCC3)c3cccc(c23)C1=O ZINC000512780772 921309994 /nfs/dbraw/zinc/30/99/94/921309994.db2.gz GSBIASMRROVCRA-UHFFFAOYSA-N -1 1 421.522 4.221 20 0 HIADMM COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2n[nH]c3cc(C(=O)[O-])ccc32)cc1 ZINC000497839884 907319948 /nfs/dbraw/zinc/31/99/48/907319948.db2.gz STVUDOMFABPPJS-OAQYLSRUSA-N -1 1 414.421 4.041 20 0 HIADMM COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2n[nH]c3cc(C(=O)[O-])ccc32)cc1 ZINC000497839883 907320089 /nfs/dbraw/zinc/32/00/89/907320089.db2.gz STVUDOMFABPPJS-NRFANRHFSA-N -1 1 414.421 4.041 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2[nH]ccc2c1 ZINC000497870811 907348296 /nfs/dbraw/zinc/34/82/96/907348296.db2.gz UXGLGRWRRWRVMC-UHFFFAOYSA-N -1 1 423.469 4.289 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)ccc2C)c1 ZINC000498078005 907586850 /nfs/dbraw/zinc/58/68/50/907586850.db2.gz MLXPKNXMFPPDCO-OXJNMPFZSA-N -1 1 414.527 4.048 20 0 HIADMM Cc1cnc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000498077558 907587434 /nfs/dbraw/zinc/58/74/34/907587434.db2.gz DZWLMDXFGUYGFP-UHFFFAOYSA-N -1 1 415.540 4.050 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCC(=O)C[C@H]3C)ccc2C)c1 ZINC000498078007 907587586 /nfs/dbraw/zinc/58/75/86/907587586.db2.gz MLXPKNXMFPPDCO-UZLBHIALSA-N -1 1 414.527 4.048 20 0 HIADMM O=C(Nc1cccc(C2CC2)n1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000498121102 907633050 /nfs/dbraw/zinc/63/30/50/907633050.db2.gz MJHBKPFDRYAVRX-UHFFFAOYSA-N -1 1 418.678 4.469 20 0 HIADMM O=C(Nc1cccc(C2CC2)n1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000498182694 907716474 /nfs/dbraw/zinc/71/64/74/907716474.db2.gz MYLPIRVHFPIURV-UHFFFAOYSA-N -1 1 411.458 4.151 20 0 HIADMM Cc1ccc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000498200584 907732376 /nfs/dbraw/zinc/73/23/76/907732376.db2.gz IGYQYQXAJNVHTB-OXJNMPFZSA-N -1 1 416.543 4.330 20 0 HIADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498200345 907733125 /nfs/dbraw/zinc/73/31/25/907733125.db2.gz IOLBLDVUNTYXPF-OXQOHEQNSA-N -1 1 402.516 4.021 20 0 HIADMM Cc1ccc(NC(=O)CO[C@@H]2CCCC[C@H]2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000498201922 907734730 /nfs/dbraw/zinc/73/47/30/907734730.db2.gz PDYGWFWODCDREG-DYESRHJHSA-N -1 1 416.543 4.330 20 0 HIADMM Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000498215594 907745762 /nfs/dbraw/zinc/74/57/62/907745762.db2.gz IFLFCPRWIBFVAY-NSHDSACASA-N -1 1 411.321 4.374 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)Cc2cnc3ccccc3n2)c1 ZINC000498217905 907747762 /nfs/dbraw/zinc/74/77/62/907747762.db2.gz YFOGUGRJBWZLOE-LBPRGKRZSA-N -1 1 400.276 4.224 20 0 HIADMM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498223426 907753534 /nfs/dbraw/zinc/75/35/34/907753534.db2.gz KGPGOQSRFWOPPH-OAQYLSRUSA-N -1 1 424.526 4.497 20 0 HIADMM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000498395426 907878630 /nfs/dbraw/zinc/87/86/30/907878630.db2.gz ICPICMCYJKVVIE-CQSZACIVSA-N -1 1 413.586 4.090 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2C)cc1F ZINC000498409029 907887343 /nfs/dbraw/zinc/88/73/43/907887343.db2.gz LYNRKMKQRQIOKV-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000498482128 907954035 /nfs/dbraw/zinc/95/40/35/907954035.db2.gz GBQCCXSESOUGBC-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM CCCN(CC(F)F)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000498721325 908147789 /nfs/dbraw/zinc/14/77/89/908147789.db2.gz KPMXSPLPGLUDRT-UHFFFAOYSA-N -1 1 410.486 4.222 20 0 HIADMM CCN(Cc1ccccc1C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498932463 908341543 /nfs/dbraw/zinc/34/15/43/908341543.db2.gz UZMZYUCTBMIXQN-UHFFFAOYSA-N -1 1 408.523 4.458 20 0 HIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3cccc4c3ccnc4C(=O)OC)ccc21 ZINC000499171631 908523203 /nfs/dbraw/zinc/52/32/03/908523203.db2.gz ROWMMLLPDRNDCE-UHFFFAOYSA-N -1 1 423.494 4.187 20 0 HIADMM CCOc1cc(C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)cc(Cl)c1[O-] ZINC000499263523 908639728 /nfs/dbraw/zinc/63/97/28/908639728.db2.gz MKUSQADXFSVAJG-UHFFFAOYSA-N -1 1 407.869 4.105 20 0 HIADMM CCCCc1nnc([N-]C(=O)c2nc(CCC)n(-c3ccccc3Cl)n2)s1 ZINC000499324163 908698367 /nfs/dbraw/zinc/69/83/67/908698367.db2.gz IPVKPWRCWDKNJY-UHFFFAOYSA-N -1 1 404.927 4.320 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)N(C)CC(F)(F)F)ccc2C)c1 ZINC000499942239 909048451 /nfs/dbraw/zinc/04/84/51/909048451.db2.gz XYLPKTBSYAWCJQ-UHFFFAOYSA-N -1 1 415.437 4.130 20 0 HIADMM CC(C)C[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000500139737 909615487 /nfs/dbraw/zinc/61/54/87/909615487.db2.gz AHDOCYOHISJEAA-KRWDZBQOSA-N -1 1 422.497 4.416 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3CC(C)C)cc2)cc1 ZINC000500183075 909677219 /nfs/dbraw/zinc/67/72/19/909677219.db2.gz SLPOHEMVXQESCB-FQEVSTJZSA-N -1 1 400.544 4.447 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)c2ccccc12 ZINC000500302264 909766680 /nfs/dbraw/zinc/76/66/80/909766680.db2.gz IPYKEOZDCOIQQH-UHFFFAOYSA-N -1 1 424.522 4.194 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1C(F)(F)F ZINC000500353587 909807718 /nfs/dbraw/zinc/80/77/18/909807718.db2.gz AXDJHVQUEHIMQW-UHFFFAOYSA-N -1 1 414.449 4.343 20 0 HIADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc(F)c(Br)cc1Cl ZINC000500573054 909936850 /nfs/dbraw/zinc/93/68/50/909936850.db2.gz SFHWWHILRLNKIQ-UHFFFAOYSA-N -1 1 414.630 4.462 20 0 HIADMM CCC1(CC)CN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c2ccccc21 ZINC000500856602 910129935 /nfs/dbraw/zinc/12/99/35/910129935.db2.gz RZXIXOJGBZCIOW-UHFFFAOYSA-N -1 1 402.498 4.200 20 0 HIADMM Cc1ncc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)s1 ZINC000500910241 910178432 /nfs/dbraw/zinc/17/84/32/910178432.db2.gz ZBPLBCJNKWFDGI-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000501298578 910454147 /nfs/dbraw/zinc/45/41/47/910454147.db2.gz CXAXUFGPHXTBOC-UHFFFAOYSA-N -1 1 413.474 4.116 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000501611696 910714184 /nfs/dbraw/zinc/71/41/84/910714184.db2.gz JKJFYIDVOFVSFT-UHFFFAOYSA-N -1 1 422.488 4.174 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1 ZINC000501630590 910727394 /nfs/dbraw/zinc/72/73/94/910727394.db2.gz PJSUNSOJYQBLRB-YJBOKZPZSA-N -1 1 400.544 4.222 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)c(C)c1 ZINC000501817543 910865806 /nfs/dbraw/zinc/86/58/06/910865806.db2.gz GXBBCKCBTFIBKN-QGZVFWFLSA-N -1 1 416.543 4.209 20 0 HIADMM COc1ccccc1C1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000501884676 910902677 /nfs/dbraw/zinc/90/26/77/910902677.db2.gz WNJNUTKHTAGOCH-UHFFFAOYSA-N -1 1 422.506 4.166 20 0 HIADMM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502107029 911042632 /nfs/dbraw/zinc/04/26/32/911042632.db2.gz BVMQCFITYULSNB-SECBINFHSA-N -1 1 410.692 4.134 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)cc1 ZINC000502201071 911142551 /nfs/dbraw/zinc/14/25/51/911142551.db2.gz CYHCDHQUTVBJJE-IAGOWNOFSA-N -1 1 400.544 4.304 20 0 HIADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c3cc(=O)[nH][n-]3)cc1)O[C@@H](C)C2 ZINC000502687985 911727271 /nfs/dbraw/zinc/72/72/71/911727271.db2.gz UCKAENSLLBXOLG-IXDGSTSKSA-N -1 1 419.481 4.247 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)c4nccn4c3)c2)c1 ZINC000502764474 911788605 /nfs/dbraw/zinc/78/86/05/911788605.db2.gz WQKJPZDHAZELIW-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM CC(C)COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000503193197 912171388 /nfs/dbraw/zinc/17/13/88/912171388.db2.gz YBZKQGQMDBJVIH-UHFFFAOYSA-N -1 1 411.409 4.030 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CC2(C1)CCCCC2 ZINC000503200241 912180516 /nfs/dbraw/zinc/18/05/16/912180516.db2.gz OKZNSHNRXHXYPP-UHFFFAOYSA-N -1 1 420.481 4.172 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC2(C1)CCCCC2 ZINC000503227378 912207919 /nfs/dbraw/zinc/20/79/19/912207919.db2.gz VUMDTOWNQQIRIA-UHFFFAOYSA-N -1 1 402.491 4.033 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000506543364 915188892 /nfs/dbraw/zinc/18/88/92/915188892.db2.gz WCKUMXWSFNMXRC-UHFFFAOYSA-N -1 1 414.509 4.310 20 0 HIADMM CCOc1cc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc(Cl)c1[O-] ZINC000506598499 915248369 /nfs/dbraw/zinc/24/83/69/915248369.db2.gz VAVXFMGNZWYUEJ-FQEVSTJZSA-N -1 1 410.297 4.229 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)NCc3cccs3)c2)c1 ZINC000506954610 915761292 /nfs/dbraw/zinc/76/12/92/915761292.db2.gz MSQPLVHPPMXZFT-UHFFFAOYSA-N -1 1 415.540 4.487 20 0 HIADMM CN(C)c1nc2sc(C(=O)[N-]c3n[nH]c(-c4ccccc4Cl)n3)cc2s1 ZINC000507351518 916107291 /nfs/dbraw/zinc/10/72/91/916107291.db2.gz ZUOTUVZAISDXBZ-UHFFFAOYSA-N -1 1 404.908 4.115 20 0 HIADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000507888430 916738842 /nfs/dbraw/zinc/73/88/42/916738842.db2.gz BTQPTQLDNTUWLV-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM CCCc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnn1-c1ccc(F)cc1 ZINC000507906467 916776292 /nfs/dbraw/zinc/77/62/92/916776292.db2.gz QZUODXNPQQJQAS-UHFFFAOYSA-N -1 1 420.510 4.191 20 0 HIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000507951124 916813370 /nfs/dbraw/zinc/81/33/70/916813370.db2.gz NHGWPZDJWVRGMZ-UHFFFAOYSA-N -1 1 413.927 4.306 20 0 HIADMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000507986135 916829416 /nfs/dbraw/zinc/82/94/16/916829416.db2.gz RFNQRNAPADRGDM-UHFFFAOYSA-N -1 1 422.261 4.119 20 0 HIADMM CCC[C@H](CC)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000508013311 916851921 /nfs/dbraw/zinc/85/19/21/916851921.db2.gz IVIMZQSWQYQNAO-VIFPVBQESA-N -1 1 417.138 4.208 20 0 HIADMM CCCCn1nccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000508028151 916862081 /nfs/dbraw/zinc/86/20/81/916862081.db2.gz WQRNDPHHIQSSCP-UHFFFAOYSA-N -1 1 412.515 4.045 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C)cs1 ZINC000508098176 916913242 /nfs/dbraw/zinc/91/32/42/916913242.db2.gz BDHOEIXAGDLBRE-UHFFFAOYSA-N -1 1 408.545 4.024 20 0 HIADMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)c1 ZINC000508232220 917050692 /nfs/dbraw/zinc/05/06/92/917050692.db2.gz SKRCJZIRWPBCOE-UHFFFAOYSA-N -1 1 411.907 4.009 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cc(F)ccc3C2)cc1 ZINC000508399602 917192898 /nfs/dbraw/zinc/19/28/98/917192898.db2.gz GGCMYBDPKDYWOF-UHFFFAOYSA-N -1 1 424.497 4.133 20 0 HIADMM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)c2)n1 ZINC000509080290 917823956 /nfs/dbraw/zinc/82/39/56/917823956.db2.gz GYWNMGPPKTWILR-UHFFFAOYSA-N -1 1 424.448 4.071 20 0 HIADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000509091899 917832967 /nfs/dbraw/zinc/83/29/67/917832967.db2.gz CWVMZPGBTGCSNT-HUUCEWRRSA-N -1 1 420.531 4.125 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000509103895 917843508 /nfs/dbraw/zinc/84/35/08/917843508.db2.gz RVFWJWQEYJGDRI-UHFFFAOYSA-N -1 1 400.422 4.409 20 0 HIADMM COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)c2ccccc2)cc1 ZINC000509151092 917871637 /nfs/dbraw/zinc/87/16/37/917871637.db2.gz AMBWQUWTIROFAR-HXUWFJFHSA-N -1 1 410.857 4.164 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000509169630 917882956 /nfs/dbraw/zinc/88/29/56/917882956.db2.gz RYLJGLNSJHJBDH-UHFFFAOYSA-N -1 1 400.719 4.037 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(CN(C)Cc3cscn3)c2)c1 ZINC000509220973 917920040 /nfs/dbraw/zinc/92/00/40/917920040.db2.gz UCDRGNGSWIMWFW-UHFFFAOYSA-N -1 1 419.597 4.298 20 0 HIADMM COc1ccc2c(c1)oc(C(=O)N1CCC(c3n[n-]c(=O)o3)CC1)c2-c1ccccc1 ZINC000509261944 917951881 /nfs/dbraw/zinc/95/18/81/917951881.db2.gz FFVMZCKWZQZZDP-UHFFFAOYSA-N -1 1 419.437 4.217 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1c(Cl)cccc1Br ZINC000509269108 917956049 /nfs/dbraw/zinc/95/60/49/917956049.db2.gz IWSDWTKQORWUQU-SECBINFHSA-N -1 1 402.688 4.206 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)Cc1cccc2ccccc21 ZINC000509449417 918102465 /nfs/dbraw/zinc/10/24/65/918102465.db2.gz LTWHXWSSCPXLMV-UHFFFAOYSA-N -1 1 412.493 4.297 20 0 HIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000509572211 918221863 /nfs/dbraw/zinc/22/18/63/918221863.db2.gz UIPZWLXLMZUXLD-UHFFFAOYSA-N -1 1 415.298 4.078 20 0 HIADMM CC(=O)Nc1ccc(Br)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000509586590 918234609 /nfs/dbraw/zinc/23/46/09/918234609.db2.gz PRWBLQPJIZUNLK-UHFFFAOYSA-N -1 1 411.321 4.134 20 0 HIADMM C[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)[C@H]1C ZINC000509588247 918237403 /nfs/dbraw/zinc/23/74/03/918237403.db2.gz VFBPWNBJZPMRGL-RYUDHWBXSA-N -1 1 413.326 4.275 20 0 HIADMM CCN(CC)[C@H](CN=c1nc([C@@H](C)OC)[n-]s1)c1ccc(C(F)(F)F)cc1 ZINC000509642799 918281829 /nfs/dbraw/zinc/28/18/29/918281829.db2.gz ZJSCUFZYOJIZLI-IUODEOHRSA-N -1 1 402.486 4.181 20 0 HIADMM CCN(CC)[C@H](CN=c1nc([C@H](C)OC)[n-]s1)c1ccc(C(F)(F)F)cc1 ZINC000509642801 918282302 /nfs/dbraw/zinc/28/23/02/918282302.db2.gz ZJSCUFZYOJIZLI-SWLSCSKDSA-N -1 1 402.486 4.181 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CCc1ccccc1)CC(C)C ZINC000509678942 918308980 /nfs/dbraw/zinc/30/89/80/918308980.db2.gz LNPDNRGQRVJNQF-UHFFFAOYSA-N -1 1 418.541 4.213 20 0 HIADMM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)N2CCCC2)o1 ZINC000509692024 918322944 /nfs/dbraw/zinc/32/29/44/918322944.db2.gz GDIZFCWBWDGKKH-LLVKDONJSA-N -1 1 409.360 4.072 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ncc(-c2ccccc2)s1 ZINC000509740276 918360867 /nfs/dbraw/zinc/36/08/67/918360867.db2.gz YCZOMYXTZYJWCB-UHFFFAOYSA-N -1 1 417.494 4.247 20 0 HIADMM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3csc4ccccc43)n2)cc1F ZINC000509862337 918463801 /nfs/dbraw/zinc/46/38/01/918463801.db2.gz GUUFFTNWKBNVRB-LBPRGKRZSA-N -1 1 417.487 4.438 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)NCCC1=CCCC1 ZINC000510270185 918797452 /nfs/dbraw/zinc/79/74/52/918797452.db2.gz FXJNPGDLHQEVDP-UHFFFAOYSA-N -1 1 413.543 4.129 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000511013041 919579935 /nfs/dbraw/zinc/57/99/35/919579935.db2.gz PDDHOGOLEDYLDG-JOCHJYFZSA-N -1 1 414.509 4.085 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1c(F)cncc1F ZINC000511036827 919620484 /nfs/dbraw/zinc/62/04/84/919620484.db2.gz WQVUAPRTFDXQHU-ZCFIWIBFSA-N -1 1 401.649 4.360 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)ccn2)c1 ZINC000511130133 919746779 /nfs/dbraw/zinc/74/67/79/919746779.db2.gz KMLZJVJJOOFPQC-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM O=C(Nc1cc(Cl)ccn1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000511174627 919796662 /nfs/dbraw/zinc/79/66/62/919796662.db2.gz RGYKYZKEJLPCIU-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccn3)cc2)ccc1F ZINC000511176465 919799013 /nfs/dbraw/zinc/79/90/13/919799013.db2.gz VEKCXCKIHBLURO-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC3=CCCC3)c2)cc1F ZINC000511220904 919828718 /nfs/dbraw/zinc/82/87/18/919828718.db2.gz HRIAESQCSMFXGX-UHFFFAOYSA-N -1 1 402.491 4.165 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cccc(F)c4)nc3c2)c1 ZINC000511735498 920405632 /nfs/dbraw/zinc/40/56/32/920405632.db2.gz DTOVYCKIUSRTMN-UHFFFAOYSA-N -1 1 409.442 4.372 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2C)OCO3)cc1 ZINC000511768478 920456065 /nfs/dbraw/zinc/45/60/65/920456065.db2.gz BZZJNHUQPRHMMM-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C(C1CC1)C1CC1 ZINC000511771476 920458797 /nfs/dbraw/zinc/45/87/97/920458797.db2.gz WENJUTFNIPKXDS-UHFFFAOYSA-N -1 1 420.918 4.221 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCCC[C@@H]3C)cc2)cc1 ZINC000511795761 920489704 /nfs/dbraw/zinc/48/97/04/920489704.db2.gz SDMLZKPDZMOEFS-KRWDZBQOSA-N -1 1 416.543 4.291 20 0 HIADMM Cc1cc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)sc1-c1ccc(F)cc1 ZINC000511874098 920606079 /nfs/dbraw/zinc/60/60/79/920606079.db2.gz IMMALMSDUCRWTH-UHFFFAOYSA-N -1 1 410.474 4.158 20 0 HIADMM COc1ccc(-c2cc(C(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)sc2C)cc1 ZINC000511911887 920654189 /nfs/dbraw/zinc/65/41/89/920654189.db2.gz WJHJGKXHTBXEQD-UHFFFAOYSA-N -1 1 422.510 4.027 20 0 HIADMM COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000512110559 920865730 /nfs/dbraw/zinc/86/57/30/920865730.db2.gz UGEAEEGTMFWGNB-HNNXBMFYSA-N -1 1 416.481 4.183 20 0 HIADMM CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)cc1 ZINC000512239445 920995608 /nfs/dbraw/zinc/99/56/08/920995608.db2.gz CXZNXIKFMAPZHD-QGZVFWFLSA-N -1 1 412.939 4.137 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000512255211 921014322 /nfs/dbraw/zinc/01/43/22/921014322.db2.gz XJJJJFAWXQCVGZ-LJQANCHMSA-N -1 1 412.509 4.417 20 0 HIADMM O=C(N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000513549689 921886277 /nfs/dbraw/zinc/88/62/77/921886277.db2.gz XMMRSGAJEMNUBD-GDBMZVCRSA-N -1 1 401.388 4.008 20 0 HIADMM Cc1ccccc1C[C@H]1CCCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000513554117 921890314 /nfs/dbraw/zinc/89/03/14/921890314.db2.gz PPQNTUONLPYCJL-OAQYLSRUSA-N -1 1 416.525 4.027 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4cc(F)ccc43)cc2)cc1 ZINC000513733834 922054742 /nfs/dbraw/zinc/05/47/42/922054742.db2.gz SRDFRFLVRZCIJJ-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM Cc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1OC(F)F ZINC000514136370 922470806 /nfs/dbraw/zinc/47/08/06/922470806.db2.gz OLKJNHAHRHVLHA-UHFFFAOYSA-N -1 1 414.412 4.034 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)N(C)C)c3)cc2)c1 ZINC000514939402 922848149 /nfs/dbraw/zinc/84/81/49/922848149.db2.gz JATPQPADRXDJIV-UHFFFAOYSA-N -1 1 410.495 4.290 20 0 HIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)c2)n1 ZINC000515628805 923228788 /nfs/dbraw/zinc/22/87/88/923228788.db2.gz MWWWSMCNGBCDLK-UHFFFAOYSA-N -1 1 420.332 4.361 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)cc1 ZINC000515635687 923236571 /nfs/dbraw/zinc/23/65/71/923236571.db2.gz ODPWDAXTNRVNGP-UHFFFAOYSA-N -1 1 424.950 4.458 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000515695692 923279680 /nfs/dbraw/zinc/27/96/80/923279680.db2.gz QFUGVLOZEJXMIX-KRWDZBQOSA-N -1 1 416.543 4.291 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3[C@@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000515707823 923289950 /nfs/dbraw/zinc/28/99/50/923289950.db2.gz NVHZOBKJLVNQDW-HOTGVXAUSA-N -1 1 416.543 4.051 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cn2)n1 ZINC000515849191 923391449 /nfs/dbraw/zinc/39/14/49/923391449.db2.gz DDZBPIDNNYWYMR-UHFFFAOYSA-N -1 1 404.495 4.352 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000515847090 923391664 /nfs/dbraw/zinc/39/16/64/923391664.db2.gz UWJXTLDIORORFR-UHFFFAOYSA-N -1 1 418.858 4.189 20 0 HIADMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000516017827 923504478 /nfs/dbraw/zinc/50/44/78/923504478.db2.gz XJWRDLKEHVNHRR-UHFFFAOYSA-N -1 1 418.559 4.359 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(F)(F)[C@H](C)C3)c2)c1 ZINC000516123915 923557984 /nfs/dbraw/zinc/55/79/84/923557984.db2.gz UKFOBBIVXXGXPN-MRXNPFEDSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccccn3)cc2)cc1 ZINC000516202252 923596426 /nfs/dbraw/zinc/59/64/26/923596426.db2.gz PFWBKXBNLXEKBO-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM COc1ccc(NC(=O)c2coc3ccc(C(C)C)cc23)cc1[N-]S(C)(=O)=O ZINC000516986197 923952800 /nfs/dbraw/zinc/95/28/00/923952800.db2.gz DAHQIAMRFLPUAQ-UHFFFAOYSA-N -1 1 402.472 4.189 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)cc1Cl ZINC000517174006 924037236 /nfs/dbraw/zinc/03/72/36/924037236.db2.gz KGISSDLGKHZYHS-UHFFFAOYSA-N -1 1 422.311 4.223 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCc4ccc(F)cc43)c2)cc1 ZINC000517365558 924135381 /nfs/dbraw/zinc/13/53/81/924135381.db2.gz RIOGQFUIGXBURW-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(-c2nc(Cc3ccccc3)no2)c1 ZINC000517608912 926717793 /nfs/dbraw/zinc/71/77/93/926717793.db2.gz IQNGVVFULKOGHA-UHFFFAOYSA-N -1 1 409.442 4.267 20 0 HIADMM O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000517994949 926937845 /nfs/dbraw/zinc/93/78/45/926937845.db2.gz QTQLPDZSYWOPKH-UHFFFAOYSA-N -1 1 410.783 4.237 20 0 HIADMM CC[C@@H](c1nnc([N-]C(=O)c2nc(SC)ncc2Cl)s1)c1ccccc1 ZINC000518047239 926984107 /nfs/dbraw/zinc/98/41/07/926984107.db2.gz JPKLATWEMDBFLD-LLVKDONJSA-N -1 1 405.936 4.498 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC[C@H](C)CC2)c1 ZINC000518143233 927043927 /nfs/dbraw/zinc/04/39/27/927043927.db2.gz GUTUROPFZKHFND-RZDIXWSQSA-N -1 1 400.544 4.413 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)c(C)c2)ccc1OC(C)C ZINC000518173712 927063400 /nfs/dbraw/zinc/06/34/00/927063400.db2.gz LGWGRERDZIPDGL-UHFFFAOYSA-N -1 1 404.532 4.030 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000518422811 927259831 /nfs/dbraw/zinc/25/98/31/927259831.db2.gz YGBSQKLXBDOZIS-UHFFFAOYSA-N -1 1 423.494 4.056 20 0 HIADMM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C)C(C)(C)C ZINC000518481293 927299642 /nfs/dbraw/zinc/29/96/42/927299642.db2.gz QVVNTRDLRSFODR-IBGZPJMESA-N -1 1 406.523 4.489 20 0 HIADMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cccnc3C(F)(F)F)cc2s1 ZINC000518824702 927521647 /nfs/dbraw/zinc/52/16/47/927521647.db2.gz JYUGRZFVPDBRHY-UHFFFAOYSA-N -1 1 407.826 4.473 20 0 HIADMM Cc1ccc(NC(=O)[C@@H](C)OCC(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000518831787 927527557 /nfs/dbraw/zinc/52/75/57/927527557.db2.gz ZDMFJFMBEXZETI-OAHLLOKOSA-N -1 1 424.950 4.449 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)cc1F ZINC000518858183 927563697 /nfs/dbraw/zinc/56/36/97/927563697.db2.gz FNYYVGDHZXQXMT-UHFFFAOYSA-N -1 1 418.412 4.254 20 0 HIADMM CC(C)CO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000518882465 927594967 /nfs/dbraw/zinc/59/49/67/927594967.db2.gz INLLTMAANFFSJF-CQSZACIVSA-N -1 1 410.923 4.140 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1)C1CC1 ZINC000519060746 927738869 /nfs/dbraw/zinc/73/88/69/927738869.db2.gz OOGHQDLRDAKODX-UHFFFAOYSA-N -1 1 422.506 4.415 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000519111472 927781150 /nfs/dbraw/zinc/78/11/50/927781150.db2.gz DICRETBRLOZVHU-UHFFFAOYSA-N -1 1 419.510 4.467 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000519228737 927836923 /nfs/dbraw/zinc/83/69/23/927836923.db2.gz WYBUXMHZACIEQN-GJZGRUSLSA-N -1 1 418.534 4.361 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3F)cc2)ccc1F ZINC000519271376 927858376 /nfs/dbraw/zinc/85/83/76/927858376.db2.gz ZFXLFLAFSBAWEM-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000519327406 927882583 /nfs/dbraw/zinc/88/25/83/927882583.db2.gz AJESYRLEIHZTBE-NRFANRHFSA-N -1 1 410.470 4.044 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)c3ccccn3)c2)c1 ZINC000519349611 927892757 /nfs/dbraw/zinc/89/27/57/927892757.db2.gz KPSOYWYFLXBEAD-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM COc1ccccc1[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000519396436 927920057 /nfs/dbraw/zinc/92/00/57/927920057.db2.gz IKBRNYIRHLTKBK-OAQYLSRUSA-N -1 1 423.538 4.060 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3cccnc3)cc2)c1C ZINC000519405339 927927541 /nfs/dbraw/zinc/92/75/41/927927541.db2.gz SGIAAEGOJZBPPT-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1n[nH]nc1-c1ccccc1 ZINC000519630464 928032533 /nfs/dbraw/zinc/03/25/33/928032533.db2.gz SEVMOXNNACUFQF-UHFFFAOYSA-N -1 1 412.475 4.007 20 0 HIADMM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000520018551 928242801 /nfs/dbraw/zinc/24/28/01/928242801.db2.gz WCWUKFIKRBGLDL-OAHLLOKOSA-N -1 1 406.935 4.464 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000520191183 928378578 /nfs/dbraw/zinc/37/85/78/928378578.db2.gz ZZGKPWAXDHHBIJ-QGZVFWFLSA-N -1 1 420.538 4.446 20 0 HIADMM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000520236849 928405017 /nfs/dbraw/zinc/40/50/17/928405017.db2.gz DHZAZVUEXAQUBD-UHFFFAOYSA-N -1 1 423.487 4.415 20 0 HIADMM O=C(CC[C@H]1CCCCO1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000520333104 928498747 /nfs/dbraw/zinc/49/87/47/928498747.db2.gz DUNJYCPOTAYWKN-GOSISDBHSA-N -1 1 422.934 4.429 20 0 HIADMM CC[C@@H](C)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000520347265 928509405 /nfs/dbraw/zinc/50/94/05/928509405.db2.gz UVPBPGGSUZDRQE-CYBMUJFWSA-N -1 1 412.914 4.398 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000520492280 928597172 /nfs/dbraw/zinc/59/71/72/928597172.db2.gz AOPGROHFNROAQF-HNNXBMFYSA-N -1 1 415.497 4.406 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c(C)c1 ZINC000520621010 928679998 /nfs/dbraw/zinc/67/99/98/928679998.db2.gz PJVHTGFSZJHEFO-KRWDZBQOSA-N -1 1 418.559 4.420 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F ZINC000520625555 928682601 /nfs/dbraw/zinc/68/26/01/928682601.db2.gz OTCDWARWKFNQNN-UHFFFAOYSA-N -1 1 423.434 4.362 20 0 HIADMM O=C(Cc1cccs1)Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000520764188 928806543 /nfs/dbraw/zinc/80/65/43/928806543.db2.gz QDPPCYBKACPZOR-UHFFFAOYSA-N -1 1 412.536 4.219 20 0 HIADMM CCC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000521132277 929014769 /nfs/dbraw/zinc/01/47/69/929014769.db2.gz OMTYTKNDKPRWCL-UHFFFAOYSA-N -1 1 406.935 4.403 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCc4ccccc43)c2)cc1 ZINC000521160369 929033150 /nfs/dbraw/zinc/03/31/50/929033150.db2.gz XYBAKLXHJPFMJA-FQEVSTJZSA-N -1 1 420.534 4.256 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCc4ccccc43)c2)cc1 ZINC000521160370 929033244 /nfs/dbraw/zinc/03/32/44/929033244.db2.gz XYBAKLXHJPFMJA-HXUWFJFHSA-N -1 1 420.534 4.256 20 0 HIADMM O=C(NCCc1ccccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000521487038 929247126 /nfs/dbraw/zinc/24/71/26/929247126.db2.gz PQJRTCOTOZIFMP-UHFFFAOYSA-N -1 1 414.914 4.113 20 0 HIADMM COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000524628708 929737673 /nfs/dbraw/zinc/73/76/73/929737673.db2.gz HHBJRCOLVNQRAA-UHFFFAOYSA-N -1 1 407.451 4.213 20 0 HIADMM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000524640522 929751410 /nfs/dbraw/zinc/75/14/10/929751410.db2.gz MPEQUQZDFPLWGQ-UHFFFAOYSA-N -1 1 423.538 4.216 20 0 HIADMM C[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)[C@H]1C ZINC000524653990 929767489 /nfs/dbraw/zinc/76/74/89/929767489.db2.gz PAZPBQICWBRWEZ-KGLIPLIRSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2Cl)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000524819024 929842470 /nfs/dbraw/zinc/84/24/70/929842470.db2.gz XICAUJNKZIERRT-UHFFFAOYSA-N -1 1 422.828 4.442 20 0 HIADMM CO[C@H](C)CN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C(C)C ZINC000524875644 929867663 /nfs/dbraw/zinc/86/76/63/929867663.db2.gz QNSQWWQXXHRBRN-OAHLLOKOSA-N -1 1 424.950 4.026 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2oc(SC[C@H]3CCOC3)nc2c1 ZINC000525004212 929967434 /nfs/dbraw/zinc/96/74/34/929967434.db2.gz DOKZKDJQPRYTQZ-LBPRGKRZSA-N -1 1 424.931 4.411 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1)c1cccs1 ZINC000525016323 929976655 /nfs/dbraw/zinc/97/66/55/929976655.db2.gz VRDOORNGODUABM-UHFFFAOYSA-N -1 1 412.414 4.219 20 0 HIADMM CCc1nc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)nn1-c1ccccc1F ZINC000525051107 930004602 /nfs/dbraw/zinc/00/46/02/930004602.db2.gz OMEAGDOUZFVPMN-UHFFFAOYSA-N -1 1 414.510 4.195 20 0 HIADMM Cc1cccc(C2(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)c1 ZINC000525071504 930017417 /nfs/dbraw/zinc/01/74/17/930017417.db2.gz VYJXEOJYZQQXHF-UHFFFAOYSA-N -1 1 406.507 4.466 20 0 HIADMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1)c1ccncc1 ZINC000525071851 930017487 /nfs/dbraw/zinc/01/74/87/930017487.db2.gz SMNILVZHGCCICQ-OAQYLSRUSA-N -1 1 423.538 4.380 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)CCC[C@H]3C)c2)cc1 ZINC000525103618 930038086 /nfs/dbraw/zinc/03/80/86/930038086.db2.gz NXMWLFYAHDHIRX-ZWKOTPCHSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3C)cc2)cc1C ZINC000525107678 930040468 /nfs/dbraw/zinc/04/04/68/930040468.db2.gz ZCOSWQYFVGFRQD-AEFFLSMTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3C(C)(C)C)cc2)cc1 ZINC000525200571 930084508 /nfs/dbraw/zinc/08/45/08/930084508.db2.gz FARIMTMUEKUXAV-FQEVSTJZSA-N -1 1 400.544 4.447 20 0 HIADMM O=c1cc(C(F)(F)F)nc(S[C@@H]2CCCN(c3ccccc3Cl)C2=O)[n-]1 ZINC000525518713 930297648 /nfs/dbraw/zinc/29/76/48/930297648.db2.gz OGEOSVNMKBSMMW-LLVKDONJSA-N -1 1 403.813 4.142 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1OCC1CCOCC1 ZINC000525523626 930300877 /nfs/dbraw/zinc/30/08/77/930300877.db2.gz MIDIMXNEKFIBIA-UHFFFAOYSA-N -1 1 412.511 4.149 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1(c2ccc(F)cc2)CC1 ZINC000525584292 930345970 /nfs/dbraw/zinc/34/59/70/930345970.db2.gz YPHVYEDSZKMIQZ-UHFFFAOYSA-N -1 1 410.470 4.297 20 0 HIADMM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C)c1ccncc1 ZINC000525585885 930347447 /nfs/dbraw/zinc/34/74/47/930347447.db2.gz VIBXGOIGLDSENC-QFIPXVFZSA-N -1 1 423.538 4.380 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000525670015 930397970 /nfs/dbraw/zinc/39/79/70/930397970.db2.gz JWENVQPRLNACEY-UHFFFAOYSA-N -1 1 400.262 4.427 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)S[C@@H](C)C3)c2)c1 ZINC000525717169 930413689 /nfs/dbraw/zinc/41/36/89/930413689.db2.gz INIPHPUEVKOOEQ-CALCHBBNSA-N -1 1 418.584 4.070 20 0 HIADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000525771398 930438812 /nfs/dbraw/zinc/43/88/12/930438812.db2.gz LERCUHLLKUHJHP-LEWJYISDSA-N -1 1 416.518 4.325 20 0 HIADMM Cn1ccc2ccc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)cc21 ZINC000526950593 930555600 /nfs/dbraw/zinc/55/56/00/930555600.db2.gz COABLWQUMCMKTB-UHFFFAOYSA-N -1 1 423.469 4.371 20 0 HIADMM O=c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cn1Cc1ccccc1Cl ZINC000530770586 930820209 /nfs/dbraw/zinc/82/02/09/930820209.db2.gz KUGIEHRTGVEAFI-UHFFFAOYSA-N -1 1 414.870 4.097 20 0 HIADMM O=C(Nc1cc(F)ccc1O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000530897136 930852626 /nfs/dbraw/zinc/85/26/26/930852626.db2.gz MQHKCIHRWUPEAM-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM O=C(NC1(c2ccc(F)cc2)CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000530986635 930876643 /nfs/dbraw/zinc/87/66/43/930876643.db2.gz YKBRZQMIPDYCRG-UHFFFAOYSA-N -1 1 410.470 4.046 20 0 HIADMM CCC(CC)N(C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1CC1 ZINC000531393374 931041793 /nfs/dbraw/zinc/04/17/93/931041793.db2.gz GJPRMWSGBLXZLZ-UHFFFAOYSA-N -1 1 415.559 4.350 20 0 HIADMM O=C(Nc1cccc2ccncc21)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000531518679 931088936 /nfs/dbraw/zinc/08/89/36/931088936.db2.gz CSXAVKYRZQYJTK-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1ccc(C(=O)N(C2CC2)C2CCCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000531598735 931116377 /nfs/dbraw/zinc/11/63/77/931116377.db2.gz UCVZGPFJEKHMGO-UHFFFAOYSA-N -1 1 416.518 4.482 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CC[C@H](C(C)C)C2)c1 ZINC000532031511 931291598 /nfs/dbraw/zinc/29/15/98/931291598.db2.gz BCKIYSVUMTUYLB-KRWDZBQOSA-N -1 1 404.507 4.053 20 0 HIADMM O=C(CC1CCSCC1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000532388475 931419806 /nfs/dbraw/zinc/41/98/06/931419806.db2.gz IEVLIUNSBHHNQP-UHFFFAOYSA-N -1 1 408.520 4.098 20 0 HIADMM Cc1ccc(NC(=O)Cc2cccnc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000532892801 931682314 /nfs/dbraw/zinc/68/23/14/931682314.db2.gz KVZMZVUYVFJPLB-UHFFFAOYSA-N -1 1 415.902 4.025 20 0 HIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)c2C)o1 ZINC000532907644 931687565 /nfs/dbraw/zinc/68/75/65/931687565.db2.gz WAODQDCEKDCFDK-UHFFFAOYSA-N -1 1 416.503 4.072 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000533330838 931840354 /nfs/dbraw/zinc/84/03/54/931840354.db2.gz VXPWZQZIQLOPCR-ZHRRBRCNSA-N -1 1 415.511 4.037 20 0 HIADMM CCn1c(SCC(=O)Nc2ccc([O-])c(Cl)c2)nnc1-c1ccccc1C ZINC000533540740 931897717 /nfs/dbraw/zinc/89/77/17/931897717.db2.gz XBXNGHLUIYBVIN-UHFFFAOYSA-N -1 1 402.907 4.363 20 0 HIADMM COCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000533703591 931979752 /nfs/dbraw/zinc/97/97/52/931979752.db2.gz GVFZVPJIJMKJNP-UHFFFAOYSA-N -1 1 410.923 4.060 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)s1 ZINC000533898148 932088291 /nfs/dbraw/zinc/08/82/91/932088291.db2.gz VKSJELUNFGYALK-UHFFFAOYSA-N -1 1 410.698 4.002 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000534002104 932185548 /nfs/dbraw/zinc/18/55/48/932185548.db2.gz ACUBSJXYRYNUKN-JTQLQIEISA-N -1 1 414.358 4.199 20 0 HIADMM COc1cc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)sc1Br ZINC000534025282 932206478 /nfs/dbraw/zinc/20/64/78/932206478.db2.gz SESQJBSCLWPURO-UHFFFAOYSA-N -1 1 413.684 4.210 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCC(F)(F)CC3)ccc2C)c1 ZINC000534206397 932331954 /nfs/dbraw/zinc/33/19/54/932331954.db2.gz RCQFCKLCXZSGRS-UHFFFAOYSA-N -1 1 422.497 4.412 20 0 HIADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c1 ZINC000534289484 932376110 /nfs/dbraw/zinc/37/61/10/932376110.db2.gz NIMCQHUSRRXPHU-UHFFFAOYSA-N -1 1 422.572 4.026 20 0 HIADMM CC(C)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)C1CC1 ZINC000534294141 932377913 /nfs/dbraw/zinc/37/79/13/932377913.db2.gz QCUPODXXXQVQJD-UHFFFAOYSA-N -1 1 410.898 4.198 20 0 HIADMM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000534311033 932380116 /nfs/dbraw/zinc/38/01/16/932380116.db2.gz MVRROVHYYRUUQX-MRVPVSSYSA-N -1 1 412.733 4.213 20 0 HIADMM Cc1cnn(Cc2cc(C(=O)[N-]c3cccc(Cl)c3SCC(F)F)no2)c1 ZINC000534395146 932419584 /nfs/dbraw/zinc/41/95/84/932419584.db2.gz FYRLXEKZKAUNHL-UHFFFAOYSA-N -1 1 412.849 4.491 20 0 HIADMM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000534400395 932425683 /nfs/dbraw/zinc/42/56/83/932425683.db2.gz UYQUOLOUKXQLLY-UHFFFAOYSA-N -1 1 401.887 4.222 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3O)cc2)cc1C ZINC000534703945 932675260 /nfs/dbraw/zinc/67/52/60/932675260.db2.gz CXSWOXQRQNMKMR-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)cc1C ZINC000534703945 932675268 /nfs/dbraw/zinc/67/52/68/932675268.db2.gz CXSWOXQRQNMKMR-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1ccc(NC(=O)c2scnc2C2CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000534791741 932772848 /nfs/dbraw/zinc/77/28/48/932772848.db2.gz CYPCSBMXACDYOM-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1=Cc2cc(F)ccc2OC1 ZINC000534900496 932830237 /nfs/dbraw/zinc/83/02/37/932830237.db2.gz HVLAWPDDRPAECT-UHFFFAOYSA-N -1 1 424.453 4.041 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC3CCC(F)(F)CC3)c2)c1 ZINC000534940837 932848573 /nfs/dbraw/zinc/84/85/73/932848573.db2.gz YRKBNNZZASSXNT-UHFFFAOYSA-N -1 1 422.497 4.412 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4cccc(C)c43)cc2)cc1 ZINC000534991295 932878761 /nfs/dbraw/zinc/87/87/61/932878761.db2.gz JEDNWUHZCLYMST-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1Br ZINC000535386374 933107855 /nfs/dbraw/zinc/10/78/55/933107855.db2.gz NTQRBNQFCVGEJM-UHFFFAOYSA-N -1 1 416.247 4.372 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccnc(OC2CCC2)c1 ZINC000535591605 933258540 /nfs/dbraw/zinc/25/85/40/933258540.db2.gz LRNXURHMLQZZJG-UHFFFAOYSA-N -1 1 423.494 4.066 20 0 HIADMM O=C(NCCCc1cccs1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000535830902 933421033 /nfs/dbraw/zinc/42/10/33/933421033.db2.gz XTVLIDQIFIYHKS-UHFFFAOYSA-N -1 1 418.515 4.051 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC=C(C(F)(F)F)CC3)cc2)cc1 ZINC000536030760 933581230 /nfs/dbraw/zinc/58/12/30/933581230.db2.gz JXSDPSGPRWNYSR-UHFFFAOYSA-N -1 1 424.444 4.130 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)C1CCC(F)(F)CC1 ZINC000536133224 933680413 /nfs/dbraw/zinc/68/04/13/933680413.db2.gz KVPMTUJSYBGDOP-UHFFFAOYSA-N -1 1 422.497 4.271 20 0 HIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000562892715 945142176 /nfs/dbraw/zinc/14/21/76/945142176.db2.gz PCQMQNWEUFOCKF-UHFFFAOYSA-N -1 1 402.281 4.250 20 0 HIADMM COCCC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000537593490 938330533 /nfs/dbraw/zinc/33/05/33/938330533.db2.gz ASDBKYAQRCQWOB-AWEZNQCLSA-N -1 1 410.923 4.142 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4c(c3)CCO4)c2)cc1 ZINC000537872409 938395709 /nfs/dbraw/zinc/39/57/09/938395709.db2.gz BTCKCCZZKIILMV-UHFFFAOYSA-N -1 1 422.506 4.438 20 0 HIADMM COCCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC000538013946 938461773 /nfs/dbraw/zinc/46/17/73/938461773.db2.gz LGKMXSWKCPMPBH-UHFFFAOYSA-N -1 1 412.241 4.098 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000538138183 938516439 /nfs/dbraw/zinc/51/64/39/938516439.db2.gz FLQWYKYXPPVBLR-UHFFFAOYSA-N -1 1 417.531 4.042 20 0 HIADMM Cc1nc(SCC(=O)Nc2cccc(CSc3ccccn3)c2)[n-]c(=O)c1C ZINC000538518276 938640031 /nfs/dbraw/zinc/64/00/31/938640031.db2.gz RWTZWCPFLZKLTA-UHFFFAOYSA-N -1 1 412.540 4.217 20 0 HIADMM Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc(Br)c1[O-] ZINC000538741161 938698603 /nfs/dbraw/zinc/69/86/03/938698603.db2.gz BYRQOUZOOKELSM-UHFFFAOYSA-N -1 1 421.360 4.264 20 0 HIADMM Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000538742309 938699013 /nfs/dbraw/zinc/69/90/13/938699013.db2.gz DZWDNSZEYNUZEI-KRWDZBQOSA-N -1 1 414.303 4.409 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)c1 ZINC000538853874 938725672 /nfs/dbraw/zinc/72/56/72/938725672.db2.gz FGMHEZYQXKTBSW-UHFFFAOYSA-N -1 1 400.525 4.321 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC000538862597 938727383 /nfs/dbraw/zinc/72/73/83/938727383.db2.gz QZQYKYMOMVDDAB-UHFFFAOYSA-N -1 1 417.465 4.413 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000539018000 938770412 /nfs/dbraw/zinc/77/04/12/938770412.db2.gz FUVRWYHTWFTROC-UHFFFAOYSA-N -1 1 405.241 4.095 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000539150815 938811707 /nfs/dbraw/zinc/81/17/07/938811707.db2.gz YQSAPIBQLRMNAH-UHFFFAOYSA-N -1 1 408.838 4.363 20 0 HIADMM O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539325485 938841684 /nfs/dbraw/zinc/84/16/84/938841684.db2.gz JITYFAMCMYHWCA-MRXNPFEDSA-N -1 1 413.934 4.165 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cc(SC)ccc2C)ccc1Br ZINC000539399066 938855000 /nfs/dbraw/zinc/85/50/00/938855000.db2.gz NTSQGXVDBARUNM-UHFFFAOYSA-N -1 1 402.335 4.289 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3C)cc2)CC1 ZINC000539548902 938878272 /nfs/dbraw/zinc/87/82/72/938878272.db2.gz WPKYERNHCQVZCR-UHFFFAOYSA-N -1 1 413.417 4.019 20 0 HIADMM Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000539570155 938881429 /nfs/dbraw/zinc/88/14/29/938881429.db2.gz ZOGPASPRYBSUIW-UHFFFAOYSA-N -1 1 403.360 4.283 20 0 HIADMM COc1ccc([C@H]2CCCCCN2C(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000539615319 938888341 /nfs/dbraw/zinc/88/83/41/938888341.db2.gz FGGDQOWFGTUBLS-GOSISDBHSA-N -1 1 401.532 4.044 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000540236569 939158096 /nfs/dbraw/zinc/15/80/96/939158096.db2.gz WVSYNOIKONFNIW-KRWDZBQOSA-N -1 1 406.573 4.009 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000540293472 939184945 /nfs/dbraw/zinc/18/49/45/939184945.db2.gz WFKXHLWMONQIIS-UHFFFAOYSA-N -1 1 402.516 4.153 20 0 HIADMM CCc1nc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)nn1-c1ccccc1Cl ZINC000540743152 939355448 /nfs/dbraw/zinc/35/54/48/939355448.db2.gz WHPCCRDPELYUQR-UHFFFAOYSA-N -1 1 404.804 4.216 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)nn1[C@@H](C)C1CC1 ZINC000540788734 939372771 /nfs/dbraw/zinc/37/27/71/939372771.db2.gz LBNZJAJSIPQJJI-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccccc1Nc1ccccc1 ZINC000540805311 939378453 /nfs/dbraw/zinc/37/84/53/939378453.db2.gz DYDIRVUTZNDPEW-UHFFFAOYSA-N -1 1 411.465 4.065 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc4c3OCO4)cc2)c1 ZINC000541131187 939472258 /nfs/dbraw/zinc/47/22/58/939472258.db2.gz MYCRWBSCYNDLFO-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)ccc1Cl ZINC000541307006 939490443 /nfs/dbraw/zinc/49/04/43/939490443.db2.gz PUDXSLHRMJHSIE-UHFFFAOYSA-N -1 1 423.853 4.034 20 0 HIADMM COc1cc(C(=O)[N-]c2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)on1 ZINC000541548645 939551569 /nfs/dbraw/zinc/55/15/69/939551569.db2.gz JDSZNSLWQUQTDS-UHFFFAOYSA-N -1 1 405.435 4.290 20 0 HIADMM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cc(Br)sc2Cl)n1 ZINC000541831627 939644543 /nfs/dbraw/zinc/64/45/43/939644543.db2.gz OSIXJSZJABGSEX-ZCFIWIBFSA-N -1 1 415.787 4.011 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)c(OC(F)F)c1)c1ccc(OCC(F)F)cc1 ZINC000542237444 939770066 /nfs/dbraw/zinc/77/00/66/939770066.db2.gz UREBAHGRLIYQQW-UHFFFAOYSA-N -1 1 413.776 4.386 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H]3CCCCS3)c2)c1 ZINC000542397295 939814382 /nfs/dbraw/zinc/81/43/82/939814382.db2.gz RIDAGLOZPLOOTK-LJQANCHMSA-N -1 1 418.584 4.120 20 0 HIADMM CCCc1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)co1 ZINC000542768252 939859908 /nfs/dbraw/zinc/85/99/08/939859908.db2.gz KHLOOHRCKBMORH-UHFFFAOYSA-N -1 1 413.499 4.297 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Nc2ccccc2F)cc1 ZINC000543023692 939897338 /nfs/dbraw/zinc/89/73/38/939897338.db2.gz ZCFBILHIBNRGFF-UHFFFAOYSA-N -1 1 417.437 4.468 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCCOC(C)C)ccc2C)cc1 ZINC000543108288 939948090 /nfs/dbraw/zinc/94/80/90/939948090.db2.gz APSQNXXKFKLXID-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM CS[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C(C)(C)C ZINC000543305050 940023948 /nfs/dbraw/zinc/02/39/48/940023948.db2.gz XHGLNSXPHXKYIR-IBGZPJMESA-N -1 1 420.600 4.303 20 0 HIADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000543353861 940039716 /nfs/dbraw/zinc/03/97/16/940039716.db2.gz RPYFLWZULXMLMO-MRXNPFEDSA-N -1 1 402.491 4.055 20 0 HIADMM CCc1cnc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000543393833 940050117 /nfs/dbraw/zinc/05/01/17/940050117.db2.gz MWXCUEPRDRPVQF-UHFFFAOYSA-N -1 1 401.557 4.138 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000543661975 940153644 /nfs/dbraw/zinc/15/36/44/940153644.db2.gz HVNTYTKZCDEWBR-UHFFFAOYSA-N -1 1 405.516 4.288 20 0 HIADMM C[C@H](CN(C)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1nn[n-]n1 ZINC000543700622 940164472 /nfs/dbraw/zinc/16/44/72/940164472.db2.gz OQYUGKHOPRNINE-ZCFIWIBFSA-N -1 1 404.710 4.250 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc4c3OCO4)c2)c1 ZINC000543918619 940245590 /nfs/dbraw/zinc/24/55/90/940245590.db2.gz GQSNBBMPXUHEQU-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4c3OCO4)c2)c1 ZINC000543920413 940246409 /nfs/dbraw/zinc/24/64/09/940246409.db2.gz XBOVDUPQJJGADN-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 ZINC000543947172 940260652 /nfs/dbraw/zinc/26/06/52/940260652.db2.gz BZYSMZRPGVCANN-XJABCFGWSA-N -1 1 412.555 4.447 20 0 HIADMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000544096007 940325072 /nfs/dbraw/zinc/32/50/72/940325072.db2.gz KNTQZAFWKYGPEM-UHFFFAOYSA-N -1 1 411.483 4.048 20 0 HIADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)C2)c1 ZINC000544282456 940378814 /nfs/dbraw/zinc/37/88/14/940378814.db2.gz BJNPQXVECJGOPI-OAQYLSRUSA-N -1 1 420.534 4.426 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1OC(C)C ZINC000544846485 940518776 /nfs/dbraw/zinc/51/87/76/940518776.db2.gz SZAQYSCEIJIBGC-UHFFFAOYSA-N -1 1 418.284 4.185 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1F ZINC000544949767 940527429 /nfs/dbraw/zinc/52/74/29/940527429.db2.gz RBKKSPBWSCSZAR-UHFFFAOYSA-N -1 1 415.368 4.090 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2cc(Cl)ccc2Cl)no1 ZINC000544985534 940530915 /nfs/dbraw/zinc/53/09/15/940530915.db2.gz WMMNYFPVKIGAPZ-VIFPVBQESA-N -1 1 418.327 4.068 20 0 HIADMM Cc1cc(C)nc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)c1 ZINC000545030605 940535162 /nfs/dbraw/zinc/53/51/62/940535162.db2.gz VODFCDSJGDKVHM-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM CCOc1cc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc(Cl)c1[O-] ZINC000545169052 940553604 /nfs/dbraw/zinc/55/36/04/940553604.db2.gz UDVFROITIGQYRA-UHFFFAOYSA-N -1 1 407.869 4.062 20 0 HIADMM COc1cc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc(Cl)c1[O-] ZINC000545175423 940554326 /nfs/dbraw/zinc/55/43/26/940554326.db2.gz JNSMAIZHYXBWQI-UHFFFAOYSA-N -1 1 417.889 4.067 20 0 HIADMM COc1ccccc1Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000545549543 940574336 /nfs/dbraw/zinc/57/43/36/940574336.db2.gz MREZLNWZUGCAOQ-UHFFFAOYSA-N -1 1 421.478 4.137 20 0 HIADMM COCCCCc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000545675806 940580177 /nfs/dbraw/zinc/58/01/77/940580177.db2.gz WDEBPVTYRLVIGZ-UHFFFAOYSA-N -1 1 415.515 4.123 20 0 HIADMM CCOc1cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc(Cl)c1[O-] ZINC000545846516 940630263 /nfs/dbraw/zinc/63/02/63/940630263.db2.gz YXUKDGRSQKOARW-UHFFFAOYSA-N -1 1 417.918 4.016 20 0 HIADMM CCOc1cc(C(=O)NCCOc2ccccc2C(F)(F)F)cc(Cl)c1[O-] ZINC000545856245 940639902 /nfs/dbraw/zinc/63/99/02/940639902.db2.gz CHFFHQHLZBNIDI-UHFFFAOYSA-N -1 1 403.784 4.272 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)[C@H](c2ccco2)C1 ZINC000546201123 940727893 /nfs/dbraw/zinc/72/78/93/940727893.db2.gz RIRMGDUUPKYKNO-FZMZJTMJSA-N -1 1 411.239 4.203 20 0 HIADMM Cc1ccc(C)c(SCc2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c1 ZINC000546226379 940735538 /nfs/dbraw/zinc/73/55/38/940735538.db2.gz NROMSNGRGREQTO-UHFFFAOYSA-N -1 1 419.510 4.436 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000546287354 940765650 /nfs/dbraw/zinc/76/56/50/940765650.db2.gz HROYXNSOAMUVDO-UHFFFAOYSA-N -1 1 417.796 4.296 20 0 HIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H]2CCC[C@H]21 ZINC000564018270 945350889 /nfs/dbraw/zinc/35/08/89/945350889.db2.gz GCEDAXDSJMQVKR-UXHICEINSA-N -1 1 416.518 4.277 20 0 HIADMM CCSCc1noc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC000546433917 940819412 /nfs/dbraw/zinc/81/94/12/940819412.db2.gz OEIYFYJGPUQASA-UHFFFAOYSA-N -1 1 403.529 4.407 20 0 HIADMM CCOc1cc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc(Cl)c1[O-] ZINC000546584699 940858230 /nfs/dbraw/zinc/85/82/30/940858230.db2.gz RHZWZHGJAMHZSG-UHFFFAOYSA-N -1 1 411.832 4.406 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000546671248 940867915 /nfs/dbraw/zinc/86/79/15/940867915.db2.gz MKENHJNRSTYSSK-NHCUHLMSSA-N -1 1 410.470 4.369 20 0 HIADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(I)c([O-])c1 ZINC000546900522 940906193 /nfs/dbraw/zinc/90/61/93/940906193.db2.gz PMALAUJCEJEZSF-WFASDCNBSA-N -1 1 407.251 4.015 20 0 HIADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(I)c([O-])c1 ZINC000546900521 940906352 /nfs/dbraw/zinc/90/63/52/940906352.db2.gz PMALAUJCEJEZSF-SWLSCSKDSA-N -1 1 407.251 4.015 20 0 HIADMM CCO[C@@H](CCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(C)C ZINC000546924302 940914591 /nfs/dbraw/zinc/91/45/91/940914591.db2.gz HPITWOFOUWBOMP-FQEVSTJZSA-N -1 1 419.547 4.060 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc([C@@H](C)c2c(F)cccc2F)no1 ZINC000547132245 941006783 /nfs/dbraw/zinc/00/67/83/941006783.db2.gz MJPQJCBUVIEHCX-LBPRGKRZSA-N -1 1 423.423 4.151 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc([C@H](C)c2c(F)cccc2F)no1 ZINC000547132244 941006974 /nfs/dbraw/zinc/00/69/74/941006974.db2.gz MJPQJCBUVIEHCX-GFCCVEGCSA-N -1 1 423.423 4.151 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc(Cl)c1[O-] ZINC000547257733 941045839 /nfs/dbraw/zinc/04/58/39/941045839.db2.gz SDYDOOFOIGXWKO-LBPRGKRZSA-N -1 1 417.815 4.137 20 0 HIADMM CCOc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000547261848 941046408 /nfs/dbraw/zinc/04/64/08/941046408.db2.gz IEOVKLKIPVVYMK-FUHWJXTLSA-N -1 1 409.313 4.273 20 0 HIADMM CCOc1cc(C(=O)NCCc2nc3ccccc3n2C(C)C)cc(Cl)c1[O-] ZINC000547267139 941048538 /nfs/dbraw/zinc/04/85/38/941048538.db2.gz CHALEUGAXGRDDR-UHFFFAOYSA-N -1 1 401.894 4.347 20 0 HIADMM CCOc1cc(C(=O)NCC2(c3ccccc3C)CCOCC2)cc(Cl)c1[O-] ZINC000547287849 941052407 /nfs/dbraw/zinc/05/24/07/941052407.db2.gz XJGODNUWLJPXRO-UHFFFAOYSA-N -1 1 403.906 4.231 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1=CCCCCC1 ZINC000547518338 941066884 /nfs/dbraw/zinc/06/68/84/941066884.db2.gz SZJRTSSUEBTZBG-UHFFFAOYSA-N -1 1 402.491 4.133 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)cc1C ZINC000548043976 941084179 /nfs/dbraw/zinc/08/41/79/941084179.db2.gz XQXCRIILTUMRSY-UHFFFAOYSA-N -1 1 414.449 4.072 20 0 HIADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000548210053 941092279 /nfs/dbraw/zinc/09/22/79/941092279.db2.gz BCUJMBFSSTUOGI-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM O=C(Nc1cccc2cc[nH]c21)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000548475936 941106893 /nfs/dbraw/zinc/10/68/93/941106893.db2.gz GKINMUMGFJVLOV-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000548538678 941112907 /nfs/dbraw/zinc/11/29/07/941112907.db2.gz HVOQNMXQWSZWBP-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM CSc1ccccc1NC(=O)CN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000548928302 941130077 /nfs/dbraw/zinc/13/00/77/941130077.db2.gz NURWYHCVCPMGGQ-UHFFFAOYSA-N -1 1 415.902 4.026 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000549199549 941170625 /nfs/dbraw/zinc/17/06/25/941170625.db2.gz FANMXTZBLAZUAO-UHFFFAOYSA-N -1 1 422.868 4.295 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc1 ZINC000549722650 941205733 /nfs/dbraw/zinc/20/57/33/941205733.db2.gz AZNBYPYOLVQBQX-UHFFFAOYSA-N -1 1 409.414 4.264 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc1Cl ZINC000550112451 941285954 /nfs/dbraw/zinc/28/59/54/941285954.db2.gz PQJSKSPZKRZHGC-UHFFFAOYSA-N -1 1 415.805 4.137 20 0 HIADMM O=C(c1c(F)ccc([O-])c1F)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000550163070 941292120 /nfs/dbraw/zinc/29/21/20/941292120.db2.gz ZCAPSNXSTCXIPL-CQSZACIVSA-N -1 1 406.187 4.330 20 0 HIADMM COCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCC1 ZINC000550264901 941305683 /nfs/dbraw/zinc/30/56/83/941305683.db2.gz WOEQMZCDWRNJAK-UHFFFAOYSA-N -1 1 422.934 4.204 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnn(C(C)C)c3)cc2)cc1C ZINC000550963033 941387377 /nfs/dbraw/zinc/38/73/77/941387377.db2.gz ZVJKPDIYNRFBJQ-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1cccc(Br)c1Cl ZINC000551110123 941411738 /nfs/dbraw/zinc/41/17/38/941411738.db2.gz RPXLCFHWZXYAJD-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM COc1nc2ccc([N-]S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)cc2s1 ZINC000551117106 941413490 /nfs/dbraw/zinc/41/34/90/941413490.db2.gz RQMRHYZLXFZZNE-UHFFFAOYSA-N -1 1 401.469 4.069 20 0 HIADMM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)nc2ccccc12 ZINC000551959918 941563875 /nfs/dbraw/zinc/56/38/75/941563875.db2.gz UUGCCYNVMQRFRD-UHFFFAOYSA-N -1 1 415.824 4.089 20 0 HIADMM COc1ccc(CCC(=O)Nc2c([O-])cc(Br)cc2Cl)cc1OC ZINC000552022203 941569905 /nfs/dbraw/zinc/56/99/05/941569905.db2.gz GVWYQQMSOSFMDW-UHFFFAOYSA-N -1 1 414.683 4.397 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC=C(c3ccco3)C2)cc1 ZINC000552269349 941618842 /nfs/dbraw/zinc/61/88/42/941618842.db2.gz WVJCNFLRLMRQCL-UHFFFAOYSA-N -1 1 422.506 4.318 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2c(O)cccc2Cl)cc1 ZINC000552433615 941669681 /nfs/dbraw/zinc/66/96/81/941669681.db2.gz SMTZFBYLKSBVEF-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM O=C(Nc1c(O)cccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000552435520 941671017 /nfs/dbraw/zinc/67/10/17/941671017.db2.gz KUGFFFVPZRFKGX-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CCC(CC)C[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000552528577 941696349 /nfs/dbraw/zinc/69/63/49/941696349.db2.gz YSRNXLHLNIJMNY-UHFFFAOYSA-N -1 1 417.138 4.065 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cccc1OCC(F)(F)F ZINC000552853893 941789338 /nfs/dbraw/zinc/78/93/38/941789338.db2.gz SAUJKSJEADVKEP-LLVKDONJSA-N -1 1 401.406 4.060 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CCC[C@@H]1C(F)F ZINC000553288426 941861227 /nfs/dbraw/zinc/86/12/27/941861227.db2.gz SERFJJCWYLSFPF-MRXNPFEDSA-N -1 1 414.861 4.011 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(F)c(Br)c(Cl)c2)c1 ZINC000553296361 941862669 /nfs/dbraw/zinc/86/26/69/941862669.db2.gz ZHAIDHMCNMWWGF-UHFFFAOYSA-N -1 1 401.619 4.158 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C ZINC000553564658 941910008 /nfs/dbraw/zinc/91/00/08/941910008.db2.gz ZCGIIJWODVVTQA-IBGZPJMESA-N -1 1 414.937 4.194 20 0 HIADMM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)cc1)c1c(Cl)cc(F)cc1Cl ZINC000553574214 941912625 /nfs/dbraw/zinc/91/26/25/941912625.db2.gz BVRIJSWMBXJBPI-CQSZACIVSA-N -1 1 412.697 4.188 20 0 HIADMM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000555001439 942350566 /nfs/dbraw/zinc/35/05/66/942350566.db2.gz CGNADDQZGBBVIR-VQTJNVASSA-N -1 1 416.543 4.248 20 0 HIADMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(CCCc4ccccc4)c3)cc2oc1=O ZINC000555304422 942468986 /nfs/dbraw/zinc/46/89/86/942468986.db2.gz GVGOTRMDQGZXCE-UHFFFAOYSA-N -1 1 422.506 4.108 20 0 HIADMM Cn1cc(S(=O)(=O)[N-][C@@H](CC2CCCC2)c2ccccc2)c(C(F)(F)F)n1 ZINC000555335126 942481433 /nfs/dbraw/zinc/48/14/33/942481433.db2.gz OQXUGRSHCJHKHL-HNNXBMFYSA-N -1 1 401.454 4.039 20 0 HIADMM Cn1cc(S(=O)(=O)[N-][C@H](CC2CCCC2)c2ccccc2)c(C(F)(F)F)n1 ZINC000555335127 942481719 /nfs/dbraw/zinc/48/17/19/942481719.db2.gz OQXUGRSHCJHKHL-OAHLLOKOSA-N -1 1 401.454 4.039 20 0 HIADMM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000557339565 943077787 /nfs/dbraw/zinc/07/77/87/943077787.db2.gz GKHNCFGCNVKTEY-JTQLQIEISA-N -1 1 419.305 4.321 20 0 HIADMM CCc1ccc([C@@H]2CCCN(C(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)cc1 ZINC000557689570 943259529 /nfs/dbraw/zinc/25/95/29/943259529.db2.gz SKAFZSXVJJLOEF-OAQYLSRUSA-N -1 1 416.525 4.064 20 0 HIADMM C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557762662 943283746 /nfs/dbraw/zinc/28/37/46/943283746.db2.gz LIFYXLWWWLMXQH-MEBBXXQBSA-N -1 1 401.331 4.291 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N3CCCCC3)c2)c(Cl)c1 ZINC000558038935 943363823 /nfs/dbraw/zinc/36/38/23/943363823.db2.gz RLPSVTGQELXFDZ-UHFFFAOYSA-N -1 1 422.934 4.084 20 0 HIADMM CC[C@@H]1CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000558163919 943403156 /nfs/dbraw/zinc/40/31/56/943403156.db2.gz YYUFWPUMGMPTFV-MRXNPFEDSA-N -1 1 412.433 4.131 20 0 HIADMM COc1ccc(-c2ocnc2C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)cc1 ZINC000558174418 943409192 /nfs/dbraw/zinc/40/91/92/943409192.db2.gz PCIOLMHYYQITOF-UHFFFAOYSA-N -1 1 418.434 4.867 20 0 HIADMM C[C@H]1Oc2ccccc2[C@H]1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000558199898 943428457 /nfs/dbraw/zinc/42/84/57/943428457.db2.gz GOKISLXSPYGUQR-VFNWGFHPSA-N -1 1 423.494 4.131 20 0 HIADMM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000560366887 944228431 /nfs/dbraw/zinc/22/84/31/944228431.db2.gz CBBDHCFNHWDBKL-UHFFFAOYSA-N -1 1 409.939 4.191 20 0 HIADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000560956137 944375609 /nfs/dbraw/zinc/37/56/09/944375609.db2.gz MMGQRRQAHNNMMX-MRXNPFEDSA-N -1 1 422.497 4.433 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000561091214 944443477 /nfs/dbraw/zinc/44/34/77/944443477.db2.gz XRZXUOPHPPQGJN-UHFFFAOYSA-N -1 1 412.921 4.077 20 0 HIADMM CCOc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc(Cl)c1[O-] ZINC000561180212 944502116 /nfs/dbraw/zinc/50/21/16/944502116.db2.gz MJUJUGHLSPPZIA-AOIWGVFYSA-N -1 1 401.890 4.089 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(NC4CC4)nc3)n2)cc(Br)c1[O-] ZINC000561645284 944724685 /nfs/dbraw/zinc/72/46/85/944724685.db2.gz BBZLOTNWASHWJS-UHFFFAOYSA-N -1 1 417.263 4.240 20 0 HIADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1cccc(Br)c1 ZINC000564384009 945546464 /nfs/dbraw/zinc/54/64/64/945546464.db2.gz DQVAHSBOMJPQRG-SSDOTTSWSA-N -1 1 404.236 4.002 20 0 HIADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3csc(-c4ccc(F)cc4)n3)n2)cc1 ZINC000564774614 945755721 /nfs/dbraw/zinc/75/57/21/945755721.db2.gz ZEERKOYHMQEBIX-UHFFFAOYSA-N -1 1 414.487 4.017 20 0 HIADMM Cc1ccc(-c2nc(S(=O)(=O)Cc3csc(-c4ccc(F)cc4)n3)n[n-]2)cc1 ZINC000564774614 945755727 /nfs/dbraw/zinc/75/57/27/945755727.db2.gz ZEERKOYHMQEBIX-UHFFFAOYSA-N -1 1 414.487 4.017 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)c1 ZINC000566534579 946036112 /nfs/dbraw/zinc/03/61/12/946036112.db2.gz LTGOQBNNXJNPNH-GOSISDBHSA-N -1 1 421.906 4.015 20 0 HIADMM CCSc1cccc(Br)c1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000566710913 946080981 /nfs/dbraw/zinc/08/09/81/946080981.db2.gz RFKMKICIXABOQH-UHFFFAOYSA-N -1 1 404.355 4.139 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C)(C)C(C)(C)C)c2)cc1 ZINC000566931230 946171081 /nfs/dbraw/zinc/17/10/81/946171081.db2.gz OILSQHLGCVQAPT-UHFFFAOYSA-N -1 1 404.532 4.051 20 0 HIADMM O=C(Cc1coc2ccccc12)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000568118682 946467430 /nfs/dbraw/zinc/46/74/30/946467430.db2.gz LZVBUCRIGPQGPM-UHFFFAOYSA-N -1 1 406.463 4.415 20 0 HIADMM COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1NC(=O)C1CCCCC1 ZINC000568406143 946530654 /nfs/dbraw/zinc/53/06/54/946530654.db2.gz OGLTUSXZHSAZEX-UHFFFAOYSA-N -1 1 404.413 4.450 20 0 HIADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000568735762 946673968 /nfs/dbraw/zinc/67/39/68/946673968.db2.gz DWNJDMVJJYZLRT-CHWSQXEVSA-N -1 1 410.898 4.150 20 0 HIADMM Cc1ccc(NC(=O)c2c[nH]nc2C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000569006512 946792483 /nfs/dbraw/zinc/79/24/83/946792483.db2.gz XIWFTBPUZNGOJA-UHFFFAOYSA-N -1 1 412.515 4.069 20 0 HIADMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)o1 ZINC000569309128 946857013 /nfs/dbraw/zinc/85/70/13/946857013.db2.gz LICYDMRYXPIFRA-UHFFFAOYSA-N -1 1 422.865 4.363 20 0 HIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(-c4cccs4)c3)cc3c2N1CCC3 ZINC000570010818 947071909 /nfs/dbraw/zinc/07/19/09/947071909.db2.gz JIJFFJIEWXZTBA-UHFFFAOYSA-N -1 1 424.547 4.441 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)c(C)c1F ZINC000570358786 947216426 /nfs/dbraw/zinc/21/64/26/947216426.db2.gz OSFNAEFZEUWZSZ-UHFFFAOYSA-N -1 1 413.430 4.147 20 0 HIADMM Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000570439983 947249470 /nfs/dbraw/zinc/24/94/70/947249470.db2.gz POLXBIHOYVEVMW-UHFFFAOYSA-N -1 1 414.874 4.062 20 0 HIADMM Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000570439983 947249489 /nfs/dbraw/zinc/24/94/89/947249489.db2.gz POLXBIHOYVEVMW-UHFFFAOYSA-N -1 1 414.874 4.062 20 0 HIADMM CC(C)(C)OCc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)no1 ZINC000570761370 947351103 /nfs/dbraw/zinc/35/11/03/947351103.db2.gz YLLHOIMIMZVHAF-UHFFFAOYSA-N -1 1 403.660 4.364 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc1C ZINC000571180677 947533529 /nfs/dbraw/zinc/53/35/29/947533529.db2.gz MWDDFQOATPRJLR-UHFFFAOYSA-N -1 1 409.414 4.182 20 0 HIADMM COc1cc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)ccc1OC(C)C ZINC000572760622 948003896 /nfs/dbraw/zinc/00/38/96/948003896.db2.gz SOQJQCOYVAIXOG-UHFFFAOYSA-N -1 1 404.426 4.154 20 0 HIADMM COc1cccc(Cc2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)c1 ZINC000573412953 948200004 /nfs/dbraw/zinc/20/00/04/948200004.db2.gz PKEAIFKKZWRVLZ-UHFFFAOYSA-N -1 1 421.478 4.137 20 0 HIADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000573533402 948235590 /nfs/dbraw/zinc/23/55/90/948235590.db2.gz KSWPBYLQVNSWST-UHFFFAOYSA-N -1 1 402.859 4.032 20 0 HIADMM CCOc1cc(C(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)cc(Cl)c1[O-] ZINC000574247690 948398541 /nfs/dbraw/zinc/39/85/41/948398541.db2.gz JBMZJFTWGJPLSA-INIZCTEOSA-N -1 1 416.865 4.016 20 0 HIADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)C2)C1 ZINC000574356897 948421786 /nfs/dbraw/zinc/42/17/86/948421786.db2.gz CNVNTHMBIKWVQL-OPAMFIHVSA-N -1 1 416.518 4.279 20 0 HIADMM Cc1cc(C)nc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)c1 ZINC000575225364 948638307 /nfs/dbraw/zinc/63/83/07/948638307.db2.gz OALRJJZPJQLKOW-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1(C)C ZINC000435939157 861201238 /nfs/dbraw/zinc/20/12/38/861201238.db2.gz UHARAWXFZDHLRD-KXBFYZLASA-N -1 1 414.527 4.067 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H]3CCC(F)(F)C3)c2)c1 ZINC000435954071 861217705 /nfs/dbraw/zinc/21/77/05/861217705.db2.gz BTIJTWKANQXLBP-INIZCTEOSA-N -1 1 422.497 4.269 20 0 HIADMM O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000435991099 861267851 /nfs/dbraw/zinc/26/78/51/861267851.db2.gz PQMCMDMFSBZZNJ-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM CC1=C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000436011260 861303083 /nfs/dbraw/zinc/30/30/83/861303083.db2.gz ASUMAAQIZGPPFQ-CQSZACIVSA-N -1 1 404.919 4.179 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(I)cc1C ZINC000436014066 861304388 /nfs/dbraw/zinc/30/43/88/861304388.db2.gz OZFXOUXIFPSATG-UHFFFAOYSA-N -1 1 419.309 4.122 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1c(C)c(C)c(C)c(C)c1C ZINC000436016690 861308319 /nfs/dbraw/zinc/30/83/19/861308319.db2.gz TXAGPVFSKNJFDV-UHFFFAOYSA-N -1 1 418.541 4.344 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000436021077 861314150 /nfs/dbraw/zinc/31/41/50/861314150.db2.gz HJPZJJORQVCLMK-UHFFFAOYSA-N -1 1 417.512 4.049 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)c1 ZINC000436022856 861315873 /nfs/dbraw/zinc/31/58/73/861315873.db2.gz CKKJMYAZJPTZHA-UHFFFAOYSA-N -1 1 423.332 4.215 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC000436024418 861317987 /nfs/dbraw/zinc/31/79/87/861317987.db2.gz SMGHFCKMFAERRV-UHFFFAOYSA-N -1 1 414.508 4.101 20 0 HIADMM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1(C)C ZINC000436104266 861389137 /nfs/dbraw/zinc/38/91/37/861389137.db2.gz UGHTYFSTWDTPCJ-BEFAXECRSA-N -1 1 414.527 4.067 20 0 HIADMM CC(C)[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccnc1 ZINC000436134448 861426279 /nfs/dbraw/zinc/42/62/79/861426279.db2.gz STGWWKUXRPCECZ-OAQYLSRUSA-N -1 1 409.511 4.261 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C[C@H]1C ZINC000436181290 861483139 /nfs/dbraw/zinc/48/31/39/861483139.db2.gz NSZOXJASWMDXLL-CHWSQXEVSA-N -1 1 410.898 4.008 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000436203945 861505395 /nfs/dbraw/zinc/50/53/95/861505395.db2.gz KTDXPLCKNGWLCJ-SNVBAGLBSA-N -1 1 404.492 4.127 20 0 HIADMM O=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000005062240 845079999 /nfs/dbraw/zinc/07/99/99/845079999.db2.gz KODTZWREYDXVHZ-UHFFFAOYSA-N -1 1 400.887 4.071 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1I ZINC000005121132 845082082 /nfs/dbraw/zinc/08/20/82/845082082.db2.gz ZBPYQICNYXPCBO-UHFFFAOYSA-N -1 1 407.660 4.054 20 0 HIADMM CC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000005204123 845088609 /nfs/dbraw/zinc/08/86/09/845088609.db2.gz LTPMUFCKTUCMIG-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccccc3F)cc2)cc1 ZINC000006177497 845180721 /nfs/dbraw/zinc/18/07/21/845180721.db2.gz WQGNSZLSYROMKB-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM O=c1cc(C2CC2)nc(SCc2nc(Cc3cccc(Br)c3)no2)[n-]1 ZINC000436239973 861547385 /nfs/dbraw/zinc/54/73/85/861547385.db2.gz HPIUKLKBBOFNOT-UHFFFAOYSA-N -1 1 419.304 4.088 20 0 HIADMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCCOc1ccccc1Cl ZINC000007154832 845265465 /nfs/dbraw/zinc/26/54/65/845265465.db2.gz TYJMSKPUKWRKGB-BOPFTXTBSA-N -1 1 405.859 4.130 20 0 HIADMM Cc1ccsc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000007898154 845443656 /nfs/dbraw/zinc/44/36/56/845443656.db2.gz BHHJXDXPMYVSQL-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1 ZINC000008033561 845465703 /nfs/dbraw/zinc/46/57/03/845465703.db2.gz PMDOCZPXOBJYEW-IIBYNOLFSA-N -1 1 416.543 4.195 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C)c2)cc1 ZINC000008207182 845492847 /nfs/dbraw/zinc/49/28/47/845492847.db2.gz IZTQJPPUCDGDBJ-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000009683237 845582595 /nfs/dbraw/zinc/58/25/95/845582595.db2.gz OWAWPNFIPOOEES-UHFFFAOYSA-N -1 1 418.400 4.445 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(OC(F)F)cc1 ZINC000009903802 845601939 /nfs/dbraw/zinc/60/19/39/845601939.db2.gz YUWIWTUPOBMTMF-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM COc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009903937 845601984 /nfs/dbraw/zinc/60/19/84/845601984.db2.gz WYBWVHKPKVHXBY-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N3CCCCC3)nc2)cc1 ZINC000010275249 845640901 /nfs/dbraw/zinc/64/09/01/845640901.db2.gz FFHRRCZWDKHUFZ-UHFFFAOYSA-N -1 1 422.558 4.330 20 0 HIADMM Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2[nH]1 ZINC000010657135 845688541 /nfs/dbraw/zinc/68/85/41/845688541.db2.gz YTLOOWVZCFSEED-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3nc(C)sc3c2)cc1 ZINC000010784349 845707655 /nfs/dbraw/zinc/70/76/55/845707655.db2.gz PFNSJZHRQCAWJZ-UHFFFAOYSA-N -1 1 411.512 4.173 20 0 HIADMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000010978599 845736144 /nfs/dbraw/zinc/73/61/44/845736144.db2.gz HPFLIDKDUVISRR-QGZVFWFLSA-N -1 1 424.522 4.377 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000011574158 845814222 /nfs/dbraw/zinc/81/42/22/845814222.db2.gz LJGPNAHWILSCBA-UHFFFAOYSA-N -1 1 423.542 4.164 20 0 HIADMM O=C(NCC1(c2ccccc2)CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000011750526 845830226 /nfs/dbraw/zinc/83/02/26/845830226.db2.gz CYJNPEZMAGXOAM-UHFFFAOYSA-N -1 1 424.497 4.088 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000014361612 845940268 /nfs/dbraw/zinc/94/02/68/845940268.db2.gz IJEAEPQQDVERGN-UHFFFAOYSA-N -1 1 421.526 4.293 20 0 HIADMM O=C([N-]NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc(F)cc1F ZINC000014830746 845984492 /nfs/dbraw/zinc/98/44/92/845984492.db2.gz OSRLMMLQVNLGJP-UHFFFAOYSA-N -1 1 403.388 4.255 20 0 HIADMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000014843245 845985252 /nfs/dbraw/zinc/98/52/52/845985252.db2.gz REOAKZNWYIUQPV-UHFFFAOYSA-N -1 1 413.905 4.281 20 0 HIADMM Cc1ccc(N2C(=O)C(=Cc3ccc([O-])c(Br)c3)NC2=S)cc1Cl ZINC000015281263 846027963 /nfs/dbraw/zinc/02/79/63/846027963.db2.gz OMVTZPSVOFRSOQ-VGOFMYFVSA-N -1 1 423.719 4.379 20 0 HIADMM COc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000015352933 846039108 /nfs/dbraw/zinc/03/91/08/846039108.db2.gz QJNIPZRHHYKLRG-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1F ZINC000015434004 846048182 /nfs/dbraw/zinc/04/81/82/846048182.db2.gz WWVXTOJOBQGDKQ-GASCZTMLSA-N -1 1 404.507 4.053 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000015439501 846049188 /nfs/dbraw/zinc/04/91/88/846049188.db2.gz CCXDMPSGKJKMCG-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM O=C(Nc1cccnc1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000015436049 846049382 /nfs/dbraw/zinc/04/93/82/846049382.db2.gz MHOAMEKWNLLBMI-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM CCN(CC)c1ccc(C(=O)N[N-]C(=O)c2sc(-c3ccccc3)nc2C)cc1 ZINC000015469581 846052130 /nfs/dbraw/zinc/05/21/30/846052130.db2.gz QGOYEFRZAUTGLO-UHFFFAOYSA-N -1 1 408.527 4.040 20 0 HIADMM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c(C)o1 ZINC000015764548 846090770 /nfs/dbraw/zinc/09/07/70/846090770.db2.gz FSVDHTXRAYULHG-UHFFFAOYSA-N -1 1 406.410 4.228 20 0 HIADMM COc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000015923855 846104319 /nfs/dbraw/zinc/10/43/19/846104319.db2.gz MWFGWYZOJQRGDL-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM O=C(Nc1cccc2ncccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000015979538 846106967 /nfs/dbraw/zinc/10/69/67/846106967.db2.gz AXAXVBJLSOZDBF-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CCCn1c(=O)c2c(nc1SCC(=O)c1ccc([O-])cc1)sc1c2CCC1 ZINC000016070671 846120283 /nfs/dbraw/zinc/12/02/83/846120283.db2.gz YCZKWJUZNJWZRE-UHFFFAOYSA-N -1 1 400.525 4.037 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)cc1 ZINC000016597413 846188006 /nfs/dbraw/zinc/18/80/06/846188006.db2.gz SWFWECWWFHQOIH-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(N(C)C)cc3)c2)c1 ZINC000016597399 846188211 /nfs/dbraw/zinc/18/82/11/846188211.db2.gz JEXUPWWFVDZIBH-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000016635132 846191825 /nfs/dbraw/zinc/19/18/25/846191825.db2.gz PXSFKPOWSQYVRG-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CC(=O)CCc1ccc2oc(C(=O)[N-]NC(=O)C34CC5CC(CC(C5)C3)C4)c(C)c2c1 ZINC000017157002 846233808 /nfs/dbraw/zinc/23/38/08/846233808.db2.gz ZQPPVDFENBBAFM-UHFFFAOYSA-N -1 1 422.525 4.240 20 0 HIADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 ZINC000017323740 846246916 /nfs/dbraw/zinc/24/69/16/846246916.db2.gz XXNPWJVCEYAIOV-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000017334520 846247042 /nfs/dbraw/zinc/24/70/42/846247042.db2.gz ATFHFPFQGUEFAO-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000017334487 846247336 /nfs/dbraw/zinc/24/73/36/846247336.db2.gz DEZPVGWQKXWBDN-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000017355696 846249539 /nfs/dbraw/zinc/24/95/39/846249539.db2.gz CQWUDTRXHJUFKN-UHFFFAOYSA-N -1 1 410.898 4.152 20 0 HIADMM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]NC(=O)c1ccccc1Br ZINC000017358934 846250513 /nfs/dbraw/zinc/25/05/13/846250513.db2.gz GHWOMEFAZKGHEZ-UHFFFAOYSA-N -1 1 407.651 4.232 20 0 HIADMM CCCCOCCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000017441832 846252386 /nfs/dbraw/zinc/25/23/86/846252386.db2.gz ANFAEALXCLYSTA-UHFFFAOYSA-N -1 1 418.559 4.041 20 0 HIADMM CCc1cc2c(COC(=O)CSc3ccc(F)c(F)c3)cc(=O)oc2cc1[O-] ZINC000017834916 846271740 /nfs/dbraw/zinc/27/17/40/846271740.db2.gz PLPCMWRWKIJJQQ-UHFFFAOYSA-N -1 1 406.406 4.175 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000018080878 846293258 /nfs/dbraw/zinc/29/32/58/846293258.db2.gz VTOTWTWTGATWBW-UHFFFAOYSA-N -1 1 414.506 4.194 20 0 HIADMM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000018124863 846299648 /nfs/dbraw/zinc/29/96/48/846299648.db2.gz QTFYWFNGBIJNKH-INIZCTEOSA-N -1 1 412.486 4.460 20 0 HIADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000018132039 846300885 /nfs/dbraw/zinc/30/08/85/846300885.db2.gz MUJIJMGNHUAWHY-QFIPXVFZSA-N -1 1 424.522 4.377 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccsc3)c2)cc1 ZINC000018216998 846311215 /nfs/dbraw/zinc/31/12/15/846311215.db2.gz PJLBRXFZIWQNQA-UHFFFAOYSA-N -1 1 400.525 4.130 20 0 HIADMM O=C(OCc1cc(-c2ccco2)on1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000019022036 846352880 /nfs/dbraw/zinc/35/28/80/846352880.db2.gz NLGWGMLKLNYCHA-UHFFFAOYSA-N -1 1 424.434 4.092 20 0 HIADMM CCCCOCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000021781174 846494712 /nfs/dbraw/zinc/49/47/12/846494712.db2.gz YGNYYVZZNOAUDX-UHFFFAOYSA-N -1 1 424.950 4.077 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000021863942 846504613 /nfs/dbraw/zinc/50/46/13/846504613.db2.gz LQQHGMUOTJCOBH-OAHLLOKOSA-N -1 1 423.416 4.153 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c(=O)[n-]1 ZINC000022308252 846557432 /nfs/dbraw/zinc/55/74/32/846557432.db2.gz WDRIVSLDXNZWPY-UHFFFAOYSA-N -1 1 415.603 4.418 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000022509414 846580088 /nfs/dbraw/zinc/58/00/88/846580088.db2.gz RQTSHWOIPMFGFK-UHFFFAOYSA-N -1 1 406.251 4.029 20 0 HIADMM CSCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000022927862 846638854 /nfs/dbraw/zinc/63/88/54/846638854.db2.gz QYSQANIQCGZLLP-UHFFFAOYSA-N -1 1 418.462 4.198 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](C)CC[C@@H]2C)cc1 ZINC000436365841 861702486 /nfs/dbraw/zinc/70/24/86/861702486.db2.gz NCERROIGLDXJSC-ZBFHGGJFSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCCc3ccco3)c2)c1 ZINC000023722300 846742970 /nfs/dbraw/zinc/74/29/70/846742970.db2.gz HOAUUJSLQJJAJN-UHFFFAOYSA-N -1 1 418.902 4.015 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2C)cc1 ZINC000024434209 846822816 /nfs/dbraw/zinc/82/28/16/846822816.db2.gz QJFXCQQRTYZAFK-UHFFFAOYSA-N -1 1 410.543 4.343 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc(F)c2ncccc12 ZINC000024578908 846841619 /nfs/dbraw/zinc/84/16/19/846841619.db2.gz PQWWKAWFLCDDEJ-UHFFFAOYSA-N -1 1 402.781 4.430 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024692767 846854355 /nfs/dbraw/zinc/85/43/55/846854355.db2.gz VGLVTSJFXUPIGM-LBPRGKRZSA-N -1 1 401.260 4.316 20 0 HIADMM O=C(NCCC1=CCCCC1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000025183386 846937938 /nfs/dbraw/zinc/93/79/38/846937938.db2.gz LRXVYPJKLXLPSJ-UHFFFAOYSA-N -1 1 420.481 4.386 20 0 HIADMM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)nc1 ZINC000025320635 846958785 /nfs/dbraw/zinc/95/87/85/846958785.db2.gz VZIANCCYIGEHAH-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000025449487 846977795 /nfs/dbraw/zinc/97/77/95/846977795.db2.gz HNZQNOLBIVBXES-UHFFFAOYSA-N -1 1 422.539 4.463 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000025839780 847045051 /nfs/dbraw/zinc/04/50/51/847045051.db2.gz BNPUYBSCSWECBD-UHFFFAOYSA-N -1 1 400.276 4.051 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000026544073 847166841 /nfs/dbraw/zinc/16/68/41/847166841.db2.gz HUPYYQLVCTUAQW-UHFFFAOYSA-N -1 1 414.458 4.164 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(Cl)cn3C)ccc2C)c1 ZINC000027079036 847245471 /nfs/dbraw/zinc/24/54/71/847245471.db2.gz NEBLUEDSUUGIRO-UHFFFAOYSA-N -1 1 417.918 4.348 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3CCCCC3)cc2)c1C ZINC000027623753 847328295 /nfs/dbraw/zinc/32/82/95/847328295.db2.gz LBQNXYCWQXXWSR-UHFFFAOYSA-N -1 1 400.544 4.414 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)nc1 ZINC000027643662 847331493 /nfs/dbraw/zinc/33/14/93/847331493.db2.gz IVVKGMMUQIRWLW-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)nc1 ZINC000027643824 847331916 /nfs/dbraw/zinc/33/19/16/847331916.db2.gz GKTICJDTHKFWAM-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccccc1 ZINC000027690677 847339011 /nfs/dbraw/zinc/33/90/11/847339011.db2.gz VIFBDCKGKASITD-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM O=C(/C=C/c1ccc2ccc(Cl)cc2n1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000027703507 847342543 /nfs/dbraw/zinc/34/25/43/847342543.db2.gz MRHBMDBCSAOTTA-VMPITWQZSA-N -1 1 407.809 4.457 20 0 HIADMM O=C(Nc1ccccc1N1CCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000028008545 847374541 /nfs/dbraw/zinc/37/45/41/847374541.db2.gz RDHHQNJEFWHQGR-UHFFFAOYSA-N -1 1 421.522 4.340 20 0 HIADMM CCCN(CCC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000028492089 847426921 /nfs/dbraw/zinc/42/69/21/847426921.db2.gz ILZZFFCCGKMQEY-UHFFFAOYSA-N -1 1 404.532 4.148 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cccc(F)c3)ccc2C)c1 ZINC000028700971 847451044 /nfs/dbraw/zinc/45/10/44/847451044.db2.gz IVTMGMUCNXPXLD-UHFFFAOYSA-N -1 1 412.486 4.425 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3cccs3)c2)c1 ZINC000028700836 847451266 /nfs/dbraw/zinc/45/12/66/847451266.db2.gz BDRKFEVDCXAQEE-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000028813088 847465082 /nfs/dbraw/zinc/46/50/82/847465082.db2.gz LHHVBHPIIPXSEO-UHFFFAOYSA-N -1 1 424.313 4.144 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)cc1 ZINC000029048517 847497548 /nfs/dbraw/zinc/49/75/48/847497548.db2.gz ZULYURPRBNWZPJ-UHFFFAOYSA-N -1 1 402.516 4.039 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)cc1 ZINC000029044532 847497763 /nfs/dbraw/zinc/49/77/63/847497763.db2.gz PXOILYVXAKBIHY-UHFFFAOYSA-N -1 1 412.515 4.185 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)o1 ZINC000029271615 847535327 /nfs/dbraw/zinc/53/53/27/847535327.db2.gz GGDJSCSZQOPBFS-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000029279390 847537664 /nfs/dbraw/zinc/53/76/64/847537664.db2.gz INGYZUWBJVHDBB-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]2c2cccnc2)cc1 ZINC000029287198 847539345 /nfs/dbraw/zinc/53/93/45/847539345.db2.gz JEYNIAVUPJHUBP-LJQANCHMSA-N -1 1 423.542 4.155 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c[nH]nc4c3)cc2)cc1C ZINC000029373213 847554399 /nfs/dbraw/zinc/55/43/99/847554399.db2.gz HLIAYMMBRKPOCW-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc4c[nH]nc43)cc2)c1 ZINC000029385370 847556275 /nfs/dbraw/zinc/55/62/75/847556275.db2.gz LWLGEGFDFPRRSM-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM COc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc(Cl)c1OCCC(C)C ZINC000029388485 847556887 /nfs/dbraw/zinc/55/68/87/847556887.db2.gz GPCVYCDPBCZFHC-UHFFFAOYSA-N -1 1 406.792 4.163 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)C3CCCCC3)cc2)cc1 ZINC000029412730 847559923 /nfs/dbraw/zinc/55/99/23/847559923.db2.gz LKIQZLSOVLVTQX-UHFFFAOYSA-N -1 1 415.511 4.102 20 0 HIADMM CCCCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000029431981 847563620 /nfs/dbraw/zinc/56/36/20/847563620.db2.gz ZOTCEWBDLRHLCT-MRXNPFEDSA-N -1 1 416.543 4.389 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cc(Cl)c[nH]1 ZINC000029487330 847569303 /nfs/dbraw/zinc/56/93/03/847569303.db2.gz RZYLRQXVDVJEMD-UHFFFAOYSA-N -1 1 410.282 4.375 20 0 HIADMM CC(C)(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000029894745 847642914 /nfs/dbraw/zinc/64/29/14/847642914.db2.gz ZSGQCBIZYBWPJK-UHFFFAOYSA-N -1 1 411.321 4.235 20 0 HIADMM CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000030012888 847670076 /nfs/dbraw/zinc/67/00/76/847670076.db2.gz ZTCKZEPDAWPCEK-UHFFFAOYSA-N -1 1 408.523 4.458 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc2)cc1 ZINC000030016638 847671140 /nfs/dbraw/zinc/67/11/40/847671140.db2.gz PHNFEKBCZCZBEZ-QFBILLFUSA-N -1 1 416.543 4.195 20 0 HIADMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)N1CCC1 ZINC000030019242 847671585 /nfs/dbraw/zinc/67/15/85/847671585.db2.gz XLANCONACRIDBM-UHFFFAOYSA-N -1 1 418.824 4.006 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1c(Cl)cc(Cl)cc1Cl ZINC000436479790 861819336 /nfs/dbraw/zinc/81/93/36/861819336.db2.gz VMKISLFLQCYFDS-UHFFFAOYSA-N -1 1 421.668 4.372 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4c(c3)CCO4)c2)c1 ZINC000030372920 847708487 /nfs/dbraw/zinc/70/84/87/847708487.db2.gz YSJBNMATTKRJNA-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000030381936 847709770 /nfs/dbraw/zinc/70/97/70/847709770.db2.gz UHAIENYRXHARIO-JLTOFOAXSA-N -1 1 422.497 4.416 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCCC[C@H]3C)c2)cc1 ZINC000030382194 847709784 /nfs/dbraw/zinc/70/97/84/847709784.db2.gz FXDAOZCTQQBPMI-IERDGZPVSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c2)cc1F ZINC000030424358 847713847 /nfs/dbraw/zinc/71/38/47/847713847.db2.gz HIEITOPIMGVAEU-HNNXBMFYSA-N -1 1 406.523 4.442 20 0 HIADMM C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])[C@@H]1CCOC1 ZINC000436487596 861821059 /nfs/dbraw/zinc/82/10/59/861821059.db2.gz JZFAXAQLRBUZSL-WCQYABFASA-N -1 1 423.296 4.106 20 0 HIADMM Cc1nn(-c2ccc(F)cc2)cc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000030429942 847714909 /nfs/dbraw/zinc/71/49/09/847714909.db2.gz QVCOCZPJAUTKJI-UHFFFAOYSA-N -1 1 420.318 4.167 20 0 HIADMM O=S(=O)([N-]Cc1csc(Br)c1)c1cc(Cl)sc1Cl ZINC000030444818 847715986 /nfs/dbraw/zinc/71/59/86/847715986.db2.gz BGGHFGMSOMDSBS-UHFFFAOYSA-N -1 1 407.163 4.357 20 0 HIADMM Cc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)o1 ZINC000030443656 847716016 /nfs/dbraw/zinc/71/60/16/847716016.db2.gz GDAIILCSCCOXMC-UHFFFAOYSA-N -1 1 413.120 4.178 20 0 HIADMM CSc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc(C(C)C)cc3[O-])cn2)cc1 ZINC000436488278 861821628 /nfs/dbraw/zinc/82/16/28/861821628.db2.gz VGFPMONXXCYQIY-UHFFFAOYSA-N -1 1 424.526 4.325 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CC3CCCCC3)cc2)cc1 ZINC000030655565 847753437 /nfs/dbraw/zinc/75/34/37/847753437.db2.gz CASQZRVVJPMIHM-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)c1 ZINC000436503626 861827373 /nfs/dbraw/zinc/82/73/73/861827373.db2.gz HIXOSWBIRSDBKY-UHFFFAOYSA-N -1 1 418.877 4.459 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C[C@@H](C)C1 ZINC000436511383 861831112 /nfs/dbraw/zinc/83/11/12/861831112.db2.gz JAIBTWXEIQQLOK-KGLIPLIRSA-N -1 1 402.441 4.431 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C(F)(F)F)ccc2Br)c1 ZINC000436515118 861832250 /nfs/dbraw/zinc/83/22/50/861832250.db2.gz RIPRXXHNNUKRFX-UHFFFAOYSA-N -1 1 418.165 4.212 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccccc1)C1CC1 ZINC000031069644 847818114 /nfs/dbraw/zinc/81/81/14/847818114.db2.gz COWYHJVYRPREEO-UHFFFAOYSA-N -1 1 424.497 4.431 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CCCN(c4ccccc4)C3=O)n2)cc(Cl)c1[O-] ZINC000436521106 861833112 /nfs/dbraw/zinc/83/31/12/861833112.db2.gz KVVDJBGPNLXAML-HNNXBMFYSA-N -1 1 413.861 4.405 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCCC[C@@H]2C(F)F)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436520551 861833266 /nfs/dbraw/zinc/83/32/66/861833266.db2.gz WEFMVHJDMPNVDC-MRXNPFEDSA-N -1 1 410.367 4.183 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2cccs2)c1 ZINC000031347045 847867440 /nfs/dbraw/zinc/86/74/40/847867440.db2.gz YFXQVZWDUCUMCD-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM CCCCc1ccc(NC(=S)N[N-]C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 ZINC000031490446 847895067 /nfs/dbraw/zinc/89/50/67/847895067.db2.gz HJRKKTJKPFWIPG-UHFFFAOYSA-N -1 1 411.506 4.190 20 0 HIADMM O=C([N-]NC(=S)Nc1cccc(Cl)c1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000031492664 847895098 /nfs/dbraw/zinc/89/50/98/847895098.db2.gz TTZQKIJBANXLGQ-UHFFFAOYSA-N -1 1 406.298 4.015 20 0 HIADMM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000031536441 847901947 /nfs/dbraw/zinc/90/19/47/847901947.db2.gz SCRYCOKRYIXPSD-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1cc2ccccc2cc1[O-] ZINC000436540562 861842463 /nfs/dbraw/zinc/84/24/63/861842463.db2.gz SASBMRZKTUHAJD-LJAQVGFWSA-N -1 1 409.507 4.225 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)cc1Cl ZINC000031553201 847907754 /nfs/dbraw/zinc/90/77/54/847907754.db2.gz MLQJVZJODKHARN-JTQLQIEISA-N -1 1 419.330 4.154 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)C1 ZINC000031680316 847927312 /nfs/dbraw/zinc/92/73/12/847927312.db2.gz YQRHHIICBBMLRR-MRXNPFEDSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)c2)n1 ZINC000031776591 847947162 /nfs/dbraw/zinc/94/71/62/847947162.db2.gz DJSQWTSDNAQFGG-UHFFFAOYSA-N -1 1 409.389 4.151 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)n1 ZINC000031776653 847947314 /nfs/dbraw/zinc/94/73/14/847947314.db2.gz IXFUJVAWVRJJHP-UHFFFAOYSA-N -1 1 409.389 4.151 20 0 HIADMM COC[C@H](C)N(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436552522 861848675 /nfs/dbraw/zinc/84/86/75/861848675.db2.gz XIIBTLVLAVHUMJ-NSHDSACASA-N -1 1 411.285 4.058 20 0 HIADMM C[C@@H]1CN(C2CCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3[O-])CC2)CCO1 ZINC000436559390 861851316 /nfs/dbraw/zinc/85/13/16/861851316.db2.gz VLINGAJUVOGSMR-MRXNPFEDSA-N -1 1 414.933 4.038 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC[C@H]3CCCO3)ccc2C)c1 ZINC000032199240 847992018 /nfs/dbraw/zinc/99/20/18/847992018.db2.gz MMMMQEXBNLMKFH-LJQANCHMSA-N -1 1 402.516 4.002 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000032332573 848006742 /nfs/dbraw/zinc/00/67/42/848006742.db2.gz PPNAZTYZSUXDMJ-UHFFFAOYSA-N -1 1 416.449 4.432 20 0 HIADMM CC(C)(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000032381320 848016025 /nfs/dbraw/zinc/01/60/25/848016025.db2.gz RZPJDHWKADJSFH-MRXNPFEDSA-N -1 1 406.548 4.264 20 0 HIADMM CN(C[C@@H]1CCOC1)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436570799 861856240 /nfs/dbraw/zinc/85/62/40/861856240.db2.gz BDUKOMATBNBVAX-LBPRGKRZSA-N -1 1 423.296 4.060 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436571247 861856296 /nfs/dbraw/zinc/85/62/96/861856296.db2.gz CFCZQSDNFVBTMY-GFCCVEGCSA-N -1 1 408.470 4.184 20 0 HIADMM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000436579640 861858965 /nfs/dbraw/zinc/85/89/65/861858965.db2.gz ZXBQMLLUDNOPSL-KRWDZBQOSA-N -1 1 422.447 4.199 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)c2ccccc12 ZINC000032590547 848050954 /nfs/dbraw/zinc/05/09/54/848050954.db2.gz PAESJWMEEYJUFU-UHFFFAOYSA-N -1 1 408.483 4.009 20 0 HIADMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc(OC(C)C)c4ccccc43)cc12 ZINC000032589787 848050973 /nfs/dbraw/zinc/05/09/73/848050973.db2.gz UQCGHFTWJSHHOR-UHFFFAOYSA-N -1 1 410.499 4.018 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cc1F ZINC000032591229 848051282 /nfs/dbraw/zinc/05/12/82/848051282.db2.gz SPTIYMJCQKJVEF-UHFFFAOYSA-N -1 1 405.422 4.353 20 0 HIADMM O=C(N[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1)c1cc2ccccc2o1 ZINC000436583705 861859550 /nfs/dbraw/zinc/85/95/50/861859550.db2.gz FHPRWVZSDNODGX-GOSISDBHSA-N -1 1 414.461 4.326 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)cc1F ZINC000032596876 848052146 /nfs/dbraw/zinc/05/21/46/848052146.db2.gz FGZBXPYUYYFKLJ-UHFFFAOYSA-N -1 1 405.422 4.353 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)=O ZINC000032626963 848055460 /nfs/dbraw/zinc/05/54/60/848055460.db2.gz ZQDBDYHPWCKLEI-UHFFFAOYSA-N -1 1 401.315 4.163 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2Cl)s1 ZINC000032631661 848056270 /nfs/dbraw/zinc/05/62/70/848056270.db2.gz LZDHFPXUQVVQGU-UHFFFAOYSA-N -1 1 413.689 4.115 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)c1 ZINC000032631542 848056963 /nfs/dbraw/zinc/05/69/63/848056963.db2.gz NEFTTXXZGDZMOY-NRFANRHFSA-N -1 1 420.490 4.238 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)o1 ZINC000032674069 848061398 /nfs/dbraw/zinc/06/13/98/848061398.db2.gz PDLOBJCFEOSVQT-UHFFFAOYSA-N -1 1 416.524 4.208 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c([O-])c1 ZINC000436588230 861861496 /nfs/dbraw/zinc/86/14/96/861861496.db2.gz ZIIDIVPJSBLLEN-UHFFFAOYSA-N -1 1 416.886 4.298 20 0 HIADMM CC(C)CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000032743909 848070814 /nfs/dbraw/zinc/07/08/14/848070814.db2.gz XFUAQVNUCBSYQC-UHFFFAOYSA-N -1 1 405.292 4.183 20 0 HIADMM C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436599972 861864338 /nfs/dbraw/zinc/86/43/38/861864338.db2.gz FXOSCXGBSDSUMS-JPYJTQIMSA-N -1 1 416.521 4.288 20 0 HIADMM O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cc2ccccc2cc1[O-] ZINC000436599707 861864463 /nfs/dbraw/zinc/86/44/63/861864463.db2.gz DDRZXEFCQNPAIT-SFHVURJKSA-N -1 1 421.497 4.412 20 0 HIADMM O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1ccc2ccccc2c1[O-] ZINC000436607338 861867571 /nfs/dbraw/zinc/86/75/71/861867571.db2.gz RVKQEYCRAWAWCL-KRWDZBQOSA-N -1 1 421.497 4.412 20 0 HIADMM COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436611681 861869297 /nfs/dbraw/zinc/86/92/97/861869297.db2.gz YRFAUFLJCVZZQG-UHFFFAOYSA-N -1 1 406.482 4.422 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1cccc(OC(F)(F)F)c1 ZINC000036833370 848167869 /nfs/dbraw/zinc/16/78/69/848167869.db2.gz QDMAAHUOJVYEOO-UHFFFAOYSA-N -1 1 424.400 4.360 20 0 HIADMM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000041814672 848253984 /nfs/dbraw/zinc/25/39/84/848253984.db2.gz FJALTZYCKWIRBI-UHFFFAOYSA-N -1 1 412.939 4.061 20 0 HIADMM CSc1nnc(CCCNC(=O)c2cc3ccccc3cc2[O-])n1C1CCCC1 ZINC000041836082 848255250 /nfs/dbraw/zinc/25/52/50/848255250.db2.gz MGBOYIZOZQGONC-UHFFFAOYSA-N -1 1 410.543 4.337 20 0 HIADMM CCC(CC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000042036962 848276945 /nfs/dbraw/zinc/27/69/45/848276945.db2.gz ZTKNIUWRQOFPDZ-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NNc3ccc(F)cc3)cc2)cc1C ZINC000042065332 848280198 /nfs/dbraw/zinc/28/01/98/848280198.db2.gz OSVKLCBTRAZCBE-UHFFFAOYSA-N -1 1 413.474 4.000 20 0 HIADMM CCCc1ccc([C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C(C)C)cc1 ZINC000042092307 848284623 /nfs/dbraw/zinc/28/46/23/848284623.db2.gz YKRWYLIHGLSKSU-QHCPKHFHSA-N -1 1 418.541 4.149 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000042127774 848290102 /nfs/dbraw/zinc/29/01/02/848290102.db2.gz ZIQNRPDCHLJTAO-UHFFFAOYSA-N -1 1 411.465 4.065 20 0 HIADMM Cc1nnc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])s1 ZINC000436670760 861889385 /nfs/dbraw/zinc/88/93/85/861889385.db2.gz HDRFWATXQAKUEV-UHFFFAOYSA-N -1 1 423.281 4.364 20 0 HIADMM CC[C@@H](C)n1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1C ZINC000436673694 861889679 /nfs/dbraw/zinc/88/96/79/861889679.db2.gz FYKYAQNKYNNJDS-QVKFZJNVSA-N -1 1 420.513 4.265 20 0 HIADMM O=C(c1cc(I)ccc1[O-])N1CCCCC[C@@H]1c1ccncc1 ZINC000436672298 861889950 /nfs/dbraw/zinc/88/99/50/861889950.db2.gz MYNOTWYWVSJDOC-MRXNPFEDSA-N -1 1 422.266 4.149 20 0 HIADMM O=C(c1cccc(Cl)c1)N1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436676978 861891750 /nfs/dbraw/zinc/89/17/50/861891750.db2.gz BCORTVKIJUROAA-UHFFFAOYSA-N -1 1 408.885 4.187 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CCCCN3C(=O)CC)n2)cc(Br)c1[O-] ZINC000436680546 861892231 /nfs/dbraw/zinc/89/22/31/861892231.db2.gz KIXDOXRISNQKGT-ZDUSSCGKSA-N -1 1 424.295 4.067 20 0 HIADMM O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)c1ccc([O-])cc1 ZINC000436691125 861895320 /nfs/dbraw/zinc/89/53/20/861895320.db2.gz XGNSQMWTHKLOBN-IBGZPJMESA-N -1 1 410.267 4.243 20 0 HIADMM O=C(Nc1ccc(Br)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043133999 848387236 /nfs/dbraw/zinc/38/72/36/848387236.db2.gz ZACNOQXUHHJGSA-UHFFFAOYSA-N -1 1 403.276 4.282 20 0 HIADMM CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436710359 861898656 /nfs/dbraw/zinc/89/86/56/861898656.db2.gz SMNLUZBOVGMJST-UHFFFAOYSA-N -1 1 412.511 4.016 20 0 HIADMM CCC(CC)N(CCOC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000043271810 848401880 /nfs/dbraw/zinc/40/18/80/848401880.db2.gz UAMNFSNUGILOHV-UHFFFAOYSA-N -1 1 418.559 4.073 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000436712919 861899545 /nfs/dbraw/zinc/89/95/45/861899545.db2.gz CJURUPNXUBUCEH-ZDUSSCGKSA-N -1 1 401.825 4.255 20 0 HIADMM CCCCCc1nnc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000043406288 848419877 /nfs/dbraw/zinc/41/98/77/848419877.db2.gz YQXYPOAPFSFQTL-UHFFFAOYSA-N -1 1 402.520 4.103 20 0 HIADMM Cc1nc(-c2ccc(N[C@H](C)c3ccc(-n4cccn4)c(F)c3)nc2)[n-]c(=O)c1C ZINC000436717991 861904706 /nfs/dbraw/zinc/90/47/06/861904706.db2.gz VEZRJWVOSYUCCJ-OAHLLOKOSA-N -1 1 404.449 4.359 20 0 HIADMM CN(C[C@@H]1CCCO1)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436721020 861907681 /nfs/dbraw/zinc/90/76/81/861907681.db2.gz KVTTVJKRUMWMBX-AWEZNQCLSA-N -1 1 423.296 4.202 20 0 HIADMM CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1c(C)noc1C ZINC000436722137 861908039 /nfs/dbraw/zinc/90/80/39/861908039.db2.gz JTIUIYVKSMCUAR-UXHICEINSA-N -1 1 421.497 4.022 20 0 HIADMM N#Cc1ccccc1NC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000044076606 848510912 /nfs/dbraw/zinc/51/09/12/848510912.db2.gz CTVSQRDDQXUDPH-UHFFFAOYSA-N -1 1 408.508 4.168 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CC[C@@H](CC3CC3)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436724246 861911804 /nfs/dbraw/zinc/91/18/04/861911804.db2.gz QVOWLWNCOOFQOS-AWEZNQCLSA-N -1 1 400.425 4.185 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)COC3CCCC3)ccc2C)c1 ZINC000044946589 848615609 /nfs/dbraw/zinc/61/56/09/848615609.db2.gz KAFHRGRRHGRSNO-UHFFFAOYSA-N -1 1 402.516 4.002 20 0 HIADMM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(Cl)cn1 ZINC000436741379 861925562 /nfs/dbraw/zinc/92/55/62/861925562.db2.gz UYYGPSUYRDZZLT-VBKZILBWSA-N -1 1 423.900 4.076 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436745237 861927749 /nfs/dbraw/zinc/92/77/49/861927749.db2.gz BBUYDCZDGWISPR-UHFFFAOYSA-N -1 1 400.381 4.096 20 0 HIADMM O=C(NCc1ccc(C(F)(F)F)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045303552 848662568 /nfs/dbraw/zinc/66/25/68/848662568.db2.gz LVUAJDHAAWJUOC-UHFFFAOYSA-N -1 1 406.404 4.216 20 0 HIADMM CC(C)c1ccc2nc(-c3ccc([O-])c(I)c3)[nH]c(=O)c2c1 ZINC000436751700 861935458 /nfs/dbraw/zinc/93/54/58/861935458.db2.gz NAZLGAGDYFKTPN-UHFFFAOYSA-N -1 1 406.223 4.436 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000045836154 848737873 /nfs/dbraw/zinc/73/78/73/848737873.db2.gz XHWOIFHQVZBQMU-UHFFFAOYSA-N -1 1 404.499 4.131 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3cc(C)ccc3F)c([O-])c2)c1 ZINC000436753609 861938395 /nfs/dbraw/zinc/93/83/95/861938395.db2.gz DZRWONLBRDHYHH-UHFFFAOYSA-N -1 1 424.428 4.362 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1F ZINC000046591990 848881539 /nfs/dbraw/zinc/88/15/39/848881539.db2.gz UIFKWYCNSIBDPP-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000046611512 848885372 /nfs/dbraw/zinc/88/53/72/848885372.db2.gz MGSYJVOERRQBHR-AWEZNQCLSA-N -1 1 418.440 4.359 20 0 HIADMM COc1ccc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1Br ZINC000436764976 861953552 /nfs/dbraw/zinc/95/35/52/861953552.db2.gz ODMKNJKOXDJQIO-SECBINFHSA-N -1 1 414.683 4.316 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000046611815 848886203 /nfs/dbraw/zinc/88/62/03/848886203.db2.gz HTTLSPZVHFBYIF-NHCUHLMSSA-N -1 1 410.470 4.369 20 0 HIADMM CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436765229 861954210 /nfs/dbraw/zinc/95/42/10/861954210.db2.gz WCYKTZZFVVRIPN-UHFFFAOYSA-N -1 1 415.433 4.377 20 0 HIADMM O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436764326 861954699 /nfs/dbraw/zinc/95/46/99/861954699.db2.gz QLDYCXYJBGJGRP-UHFFFAOYSA-N -1 1 410.367 4.041 20 0 HIADMM O=C(c1cc(I)ccc1[O-])N1CC=C(c2ccc(F)cc2)CC1 ZINC000436764459 861955112 /nfs/dbraw/zinc/95/51/12/861955112.db2.gz QVFZGQJJOMXRLD-UHFFFAOYSA-N -1 1 423.225 4.065 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1NC(=O)OC(C)(C)C ZINC000046698258 848913253 /nfs/dbraw/zinc/91/32/53/848913253.db2.gz DUSXHSCQRCANNF-UHFFFAOYSA-N -1 1 420.487 4.046 20 0 HIADMM CCOc1cc(-c2noc(CSCc3ccncc3)n2)cc(Br)c1[O-] ZINC000436767150 861957749 /nfs/dbraw/zinc/95/77/49/861957749.db2.gz GHTCUKIFHVWFGS-UHFFFAOYSA-N -1 1 422.304 4.432 20 0 HIADMM COc1ccc(CCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000046780388 848933097 /nfs/dbraw/zinc/93/30/97/848933097.db2.gz OBZCNFRGGDAPHI-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM CCOc1cc(-c2noc(Cc3noc4ccccc43)n2)cc(Br)c1[O-] ZINC000436777036 861969791 /nfs/dbraw/zinc/96/97/91/861969791.db2.gz MWQBFZCEENFQJC-UHFFFAOYSA-N -1 1 416.231 4.335 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(-c4ccco4)[nH]n3)n2)cc(Br)c1[O-] ZINC000436778111 861970070 /nfs/dbraw/zinc/97/00/70/861970070.db2.gz PTGXVYPXFWMVRW-UHFFFAOYSA-N -1 1 417.219 4.254 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000047339420 849029484 /nfs/dbraw/zinc/02/94/84/849029484.db2.gz JVTPUESLECSOJP-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM COc1cc(-c2noc([C@@H](C)c3ccc4c(c3)OCO4)n2)cc(Br)c1[O-] ZINC000436782206 861972607 /nfs/dbraw/zinc/97/26/07/861972607.db2.gz HXZJXAFJNATVAJ-VIFPVBQESA-N -1 1 419.231 4.094 20 0 HIADMM Cc1ccc(-c2nc(CCNC(=O)c3ccc(Br)cc3[O-])co2)cc1 ZINC000436783321 861976807 /nfs/dbraw/zinc/97/68/07/861976807.db2.gz QZGUVVMOLQGHSE-UHFFFAOYSA-N -1 1 401.260 4.091 20 0 HIADMM Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cn1 ZINC000047608461 849084545 /nfs/dbraw/zinc/08/45/45/849084545.db2.gz GDFDGXFHQCEVTA-UHFFFAOYSA-N -1 1 415.902 4.025 20 0 HIADMM O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000047650983 849089651 /nfs/dbraw/zinc/08/96/51/849089651.db2.gz CTTACBIDOPROSE-UHFFFAOYSA-N -1 1 406.916 4.384 20 0 HIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1)C(=O)C(F)(F)F ZINC000047906298 849135113 /nfs/dbraw/zinc/13/51/13/849135113.db2.gz XCROZJKUHXDNAT-UHFFFAOYSA-N -1 1 414.449 4.015 20 0 HIADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1NC(=O)c1ccc(O)cc1F ZINC000436791478 861983987 /nfs/dbraw/zinc/98/39/87/861983987.db2.gz JQCQCZMAFCLINO-LBPRGKRZSA-N -1 1 412.392 4.119 20 0 HIADMM O=C(Nc1nc2ccc(Cl)cc2n1Cc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436790458 861984345 /nfs/dbraw/zinc/98/43/45/861984345.db2.gz HSOSQFSYQUKKRW-UHFFFAOYSA-N -1 1 405.841 4.265 20 0 HIADMM CCCC[C@H](C)N(C)C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436820122 862003641 /nfs/dbraw/zinc/00/36/41/862003641.db2.gz KULMSUOVYVDZOL-HNNXBMFYSA-N -1 1 414.502 4.312 20 0 HIADMM O=C(N[C@@H]1CCCc2sccc21)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436828566 862009635 /nfs/dbraw/zinc/00/96/35/862009635.db2.gz YVWNNPUQGDFMMA-WOJBJXKFSA-N -1 1 420.534 4.405 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccncc2)cc1)c1ccccc1Br ZINC000050534637 849393121 /nfs/dbraw/zinc/39/31/21/849393121.db2.gz XPCSOKFDWMLHSP-UHFFFAOYSA-N -1 1 405.273 4.437 20 0 HIADMM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436836012 862014724 /nfs/dbraw/zinc/01/47/24/862014724.db2.gz CJEUYGYSANIOSI-NVXWUHKLSA-N -1 1 420.481 4.327 20 0 HIADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000051468001 849473174 /nfs/dbraw/zinc/47/31/74/849473174.db2.gz YOGODFMKPBUKIY-KXBFYZLASA-N -1 1 404.304 4.395 20 0 HIADMM O=C(N[C@@H]1CSc2ccccc21)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436859077 862039693 /nfs/dbraw/zinc/03/96/93/862039693.db2.gz WTMCWEGIZSAKEJ-UXHICEINSA-N -1 1 418.518 4.113 20 0 HIADMM Cc1cc(=O)c(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1ccccc1C(F)(F)F ZINC000436864278 862042088 /nfs/dbraw/zinc/04/20/88/862042088.db2.gz NBZGYAAOCWASHM-UHFFFAOYSA-N -1 1 423.778 4.171 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CCCN3C(=O)c3ccccc3)n2)cc(Cl)c1[O-] ZINC000436868673 862046177 /nfs/dbraw/zinc/04/61/77/862046177.db2.gz BINGGWDIPZHOHZ-INIZCTEOSA-N -1 1 413.861 4.472 20 0 HIADMM CCOc1cc(-c2noc(-c3nccnc3SCC)n2)cc(Br)c1[O-] ZINC000436869531 862046676 /nfs/dbraw/zinc/04/66/76/862046676.db2.gz DVGAKAUGDVFPOF-UHFFFAOYSA-N -1 1 423.292 4.172 20 0 HIADMM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000053638997 849740359 /nfs/dbraw/zinc/74/03/59/849740359.db2.gz COPYDUNGQVPRCS-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000053638999 849740519 /nfs/dbraw/zinc/74/05/19/849740519.db2.gz OTGOAPNAZINQBN-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM [O-]c1ccc(-c2noc([C@H]3CCO[C@@H]3c3cnn(-c4ccccc4F)c3)n2)c(F)c1 ZINC000436877063 862053752 /nfs/dbraw/zinc/05/37/52/862053752.db2.gz CZZSUIBZDFPPPN-HNAYVOBHSA-N -1 1 410.380 4.151 20 0 HIADMM COc1cc(-c2noc(CCc3cccc(N(C)C)c3)n2)cc(Br)c1[O-] ZINC000436877105 862055145 /nfs/dbraw/zinc/05/51/45/862055145.db2.gz DQHWLAOSXJBYQU-UHFFFAOYSA-N -1 1 418.291 4.065 20 0 HIADMM CCCCn1ncc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1CC ZINC000436878878 862056451 /nfs/dbraw/zinc/05/64/51/862056451.db2.gz FBSQXAGXFZJEBJ-UHFFFAOYSA-N -1 1 412.534 4.266 20 0 HIADMM Cc1ccc(Br)cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000053997969 849791251 /nfs/dbraw/zinc/79/12/51/849791251.db2.gz ZDAJIRDNVLJPKZ-UHFFFAOYSA-N -1 1 409.334 4.379 20 0 HIADMM COC(=O)Nc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000054034730 849803530 /nfs/dbraw/zinc/80/35/30/849803530.db2.gz DIQTXGBHLPUMSM-UHFFFAOYSA-N -1 1 411.487 4.123 20 0 HIADMM COc1cc(-c2noc(C3CCC(OC(F)F)CC3)n2)cc(Br)c1[O-] ZINC000436881757 862058746 /nfs/dbraw/zinc/05/87/46/862058746.db2.gz YDMBTORGBSJGTA-UHFFFAOYSA-N -1 1 419.222 4.479 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@H](OCCCc2ccccc2)C1 ZINC000436881804 862058779 /nfs/dbraw/zinc/05/87/79/862058779.db2.gz OZCREWOTPUZDCF-KRWDZBQOSA-N -1 1 404.304 4.019 20 0 HIADMM O=C(Nc1ccc(-c2nc(CCC(F)(F)F)no2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436885404 862063581 /nfs/dbraw/zinc/06/35/81/862063581.db2.gz DAOCPCCNNXKIID-UHFFFAOYSA-N -1 1 413.302 4.468 20 0 HIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(F)cc(Br)c3[O-])[nH]c2c1 ZINC000436886479 862063689 /nfs/dbraw/zinc/06/36/89/862063689.db2.gz LCASGLDZKNFEGR-MRXNPFEDSA-N -1 1 418.266 4.456 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)c1 ZINC000436886025 862064131 /nfs/dbraw/zinc/06/41/31/862064131.db2.gz JIHUWQLMLUZZKA-UHFFFAOYSA-N -1 1 402.410 4.042 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccc(F)cc3)no2)c(O)c1)c1cccs1 ZINC000436892733 862069704 /nfs/dbraw/zinc/06/97/04/862069704.db2.gz MMZNSLFSEBQXGB-UHFFFAOYSA-N -1 1 417.443 4.111 20 0 HIADMM Cc1ccc([C@@H](C)NC(=O)N[N-]C(=O)c2sc(-c3ccccc3)nc2C)s1 ZINC000054732779 849915170 /nfs/dbraw/zinc/91/51/70/849915170.db2.gz DGLLKRXXSGOXAJ-GFCCVEGCSA-N -1 1 400.529 4.194 20 0 HIADMM Cc1cncc(-c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)c1 ZINC000436896544 862071655 /nfs/dbraw/zinc/07/16/55/862071655.db2.gz ZGHKBLWNPRAIGH-UHFFFAOYSA-N -1 1 408.364 4.343 20 0 HIADMM C[C@@H]1CCCN(c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3Cl)s2)C1 ZINC000055117816 849972976 /nfs/dbraw/zinc/97/29/76/849972976.db2.gz BWIXRSUKBMAAOA-ZWNOBZJWSA-N -1 1 400.331 4.052 20 0 HIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1C ZINC000055674138 850105793 /nfs/dbraw/zinc/10/57/93/850105793.db2.gz BUURFSZWDATXFR-UHFFFAOYSA-N -1 1 418.849 4.317 20 0 HIADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)cc2)c1 ZINC000055685214 850111096 /nfs/dbraw/zinc/11/10/96/850111096.db2.gz FGEUEUBJCQZJPQ-UHFFFAOYSA-N -1 1 414.458 4.121 20 0 HIADMM O=S(=O)([N-]c1ccccc1COc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000055688114 850112179 /nfs/dbraw/zinc/11/21/79/850112179.db2.gz CDRWVHUOIDOUOK-UHFFFAOYSA-N -1 1 411.479 4.228 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cnc(-c2ccccc2F)s1 ZINC000436914230 862093448 /nfs/dbraw/zinc/09/34/48/862093448.db2.gz IXPIESUDXRBWBD-UHFFFAOYSA-N -1 1 415.837 4.346 20 0 HIADMM CCOc1c(Cl)cc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1OC ZINC000436915613 862096590 /nfs/dbraw/zinc/09/65/90/862096590.db2.gz PJKJCZYHXWVXPP-UHFFFAOYSA-N -1 1 423.256 4.144 20 0 HIADMM CCOc1c(Cl)cc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1OC ZINC000436915613 862096595 /nfs/dbraw/zinc/09/65/95/862096595.db2.gz PJKJCZYHXWVXPP-UHFFFAOYSA-N -1 1 423.256 4.144 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(CC3CCCCC3)no2)c(O)c1)c1cccs1 ZINC000436917123 862098558 /nfs/dbraw/zinc/09/85/58/862098558.db2.gz ABYQLGZUJPDVHK-UHFFFAOYSA-N -1 1 419.528 4.427 20 0 HIADMM COc1ccc([C@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccccc2Cl)c(C)c1 ZINC000436926716 862105331 /nfs/dbraw/zinc/10/53/31/862105331.db2.gz OVVFGVYSKJHOBV-NRFANRHFSA-N -1 1 409.869 4.451 20 0 HIADMM COc1cc(-c2cc3[n-]c(-c4ccc(O)cc4C)nc(=O)c3s2)cc(OC)c1OC ZINC000436924240 862106199 /nfs/dbraw/zinc/10/61/99/862106199.db2.gz WHJAKYSXECIWOP-UHFFFAOYSA-N -1 1 424.478 4.358 20 0 HIADMM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436926510 862106261 /nfs/dbraw/zinc/10/62/61/862106261.db2.gz MGGHEINYRQEGSB-XMMPIXPASA-N -1 1 410.333 4.454 20 0 HIADMM O=C(COC1CCCC1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000056062500 850237375 /nfs/dbraw/zinc/23/73/75/850237375.db2.gz BHPGHBWCWLHGJF-UHFFFAOYSA-N -1 1 408.907 4.039 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)c2ccc(F)c(F)c2)cc1 ZINC000056226243 850290725 /nfs/dbraw/zinc/29/07/25/850290725.db2.gz CJZIWEYIBYBRHU-UHFFFAOYSA-N -1 1 416.449 4.351 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)c3ccc(F)c(F)c3)c2)cc1 ZINC000056226195 850290930 /nfs/dbraw/zinc/29/09/30/850290930.db2.gz XMRMTNRGTLGICY-UHFFFAOYSA-N -1 1 416.449 4.351 20 0 HIADMM CCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H](C)c1cc2ccccc2o1 ZINC000056278182 850309206 /nfs/dbraw/zinc/30/92/06/850309206.db2.gz LSGZFKODXYZHRO-MRXNPFEDSA-N -1 1 416.481 4.039 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3ccc(Br)cc3C)no2)c1 ZINC000436944129 862123271 /nfs/dbraw/zinc/12/32/71/862123271.db2.gz OUJWIRFZTWFVOQ-UHFFFAOYSA-N -1 1 402.248 4.062 20 0 HIADMM O=C1C[C@@H](c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)CN1CC1CCC1 ZINC000436950533 862127382 /nfs/dbraw/zinc/12/73/82/862127382.db2.gz MZRCYLGGEDLFBO-MRXNPFEDSA-N -1 1 405.454 4.351 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(C)=O)c2)c2ccccc12 ZINC000057117042 850550922 /nfs/dbraw/zinc/55/09/22/850550922.db2.gz VGZNGEROBJNOQS-UHFFFAOYSA-N -1 1 402.447 4.137 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)c(OC)c2)c2ccccc12 ZINC000057115665 850550972 /nfs/dbraw/zinc/55/09/72/850550972.db2.gz URDHDIBGIIEBMF-UHFFFAOYSA-N -1 1 417.483 4.065 20 0 HIADMM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc(Br)cc2[O-])no1 ZINC000436961019 862140528 /nfs/dbraw/zinc/14/05/28/862140528.db2.gz IUVMYLUCZJKGOE-AWEZNQCLSA-N -1 1 408.296 4.419 20 0 HIADMM O=C(CCc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)N1CCCC1 ZINC000057125180 850553713 /nfs/dbraw/zinc/55/37/13/850553713.db2.gz RMKPWXFLOUMMRC-UHFFFAOYSA-N -1 1 408.523 4.196 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H]1CCCC[C@H]1C ZINC000057388163 850626407 /nfs/dbraw/zinc/62/64/07/850626407.db2.gz UGFAXTZFKXYZJY-QRWLVFNGSA-N -1 1 404.507 4.243 20 0 HIADMM O=S(=O)([N-]Cc1ccsc1)c1c(Cl)cc(Br)cc1Cl ZINC000057411870 850632444 /nfs/dbraw/zinc/63/24/44/850632444.db2.gz PGSYAWATDOWKQA-UHFFFAOYSA-N -1 1 401.134 4.296 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000436976424 862154564 /nfs/dbraw/zinc/15/45/64/862154564.db2.gz BBFROGIDELESOS-UHFFFAOYSA-N -1 1 402.244 4.296 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ncsc1C(F)(F)F ZINC000436979911 862158750 /nfs/dbraw/zinc/15/87/50/862158750.db2.gz KSUREHVDKUJWCE-UHFFFAOYSA-N -1 1 413.421 4.182 20 0 HIADMM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1 ZINC000057769678 850711529 /nfs/dbraw/zinc/71/15/29/850711529.db2.gz NHUHCVFAFMHSQR-UHFFFAOYSA-N -1 1 413.295 4.223 20 0 HIADMM CN(C(=O)c1cc(I)ccc1[O-])c1ccc(F)c(Cl)c1 ZINC000436989084 862167099 /nfs/dbraw/zinc/16/70/99/862167099.db2.gz NGRMCUZCTQQWHG-UHFFFAOYSA-N -1 1 405.594 4.066 20 0 HIADMM O=C(NC[C@@H]1CCCC1=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436996654 862170335 /nfs/dbraw/zinc/17/03/35/862170335.db2.gz UPNRPFTVJPYBTP-LBPRGKRZSA-N -1 1 421.280 4.050 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2NC(=O)NC(C)C)c1 ZINC000058351845 850806945 /nfs/dbraw/zinc/80/69/45/850806945.db2.gz LZXKOPNZNMVMDU-UHFFFAOYSA-N -1 1 424.530 4.085 20 0 HIADMM CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058494159 850839280 /nfs/dbraw/zinc/83/92/80/850839280.db2.gz ZGTGVHAXUJQRTF-UHFFFAOYSA-N -1 1 408.234 4.030 20 0 HIADMM CC(C)[C@@H]1N(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1(C)C ZINC000437007994 862182145 /nfs/dbraw/zinc/18/21/45/862182145.db2.gz YOTQSGNKLQRTNP-IBGZPJMESA-N -1 1 402.441 4.429 20 0 HIADMM CCC(CC)N(CCOC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000059266196 850989230 /nfs/dbraw/zinc/98/92/30/850989230.db2.gz HNDJBVZJVUMZRS-UHFFFAOYSA-N -1 1 418.559 4.073 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000059577245 851007697 /nfs/dbraw/zinc/00/76/97/851007697.db2.gz CQNDNXIKJKDFHZ-UHFFFAOYSA-N -1 1 420.538 4.356 20 0 HIADMM CCOc1cccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000060185431 851049496 /nfs/dbraw/zinc/04/94/96/851049496.db2.gz QAHNRHUARZOXQX-QGZVFWFLSA-N -1 1 424.522 4.377 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000060274808 851058386 /nfs/dbraw/zinc/05/83/86/851058386.db2.gz YRLXPOLPRGGVKY-UHFFFAOYSA-N -1 1 415.515 4.098 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 ZINC000060361487 851076718 /nfs/dbraw/zinc/07/67/18/851076718.db2.gz ONRKWTCIKXBPKC-UHFFFAOYSA-N -1 1 401.875 4.304 20 0 HIADMM CCOc1ccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060401285 851087729 /nfs/dbraw/zinc/08/77/29/851087729.db2.gz OZSPBTQWJUGSHD-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Cl)c2-n2cccn2)cc1 ZINC000061407117 851367835 /nfs/dbraw/zinc/36/78/35/851367835.db2.gz GKMWVIVBNKVQDQ-UHFFFAOYSA-N -1 1 424.917 4.394 20 0 HIADMM Cc1cc(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])on1 ZINC000061623395 851415811 /nfs/dbraw/zinc/41/58/11/851415811.db2.gz HVCJBAZFSVRQKG-UHFFFAOYSA-N -1 1 420.252 4.178 20 0 HIADMM CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000062930485 851607335 /nfs/dbraw/zinc/60/73/35/851607335.db2.gz CLWMALKPLDULCS-UHFFFAOYSA-N -1 1 407.919 4.484 20 0 HIADMM CC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCS1 ZINC000437073159 862269133 /nfs/dbraw/zinc/26/91/33/862269133.db2.gz FSGMFQAHEDJLGQ-QGZVFWFLSA-N -1 1 424.975 4.108 20 0 HIADMM CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCS1 ZINC000437073153 862269188 /nfs/dbraw/zinc/26/91/88/862269188.db2.gz FSGMFQAHEDJLGQ-KRWDZBQOSA-N -1 1 424.975 4.108 20 0 HIADMM CC(=O)Nc1cc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)ccc1Cl ZINC000063335396 851665945 /nfs/dbraw/zinc/66/59/45/851665945.db2.gz WSIOINIAVKDMIK-UHFFFAOYSA-N -1 1 415.906 4.167 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1Br ZINC000063849438 851777167 /nfs/dbraw/zinc/77/71/67/851777167.db2.gz LDGHWLUEZVPVKT-UHFFFAOYSA-N -1 1 414.321 4.184 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)c2ccccc12 ZINC000063849550 851777581 /nfs/dbraw/zinc/77/75/81/851777581.db2.gz QMCCMHHPPNZAEA-UHFFFAOYSA-N -1 1 409.467 4.398 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c4c(cccc42)CC3)c(Cl)cc1F ZINC000063877469 851783281 /nfs/dbraw/zinc/78/32/81/851783281.db2.gz DHJMCMLNIXNVKZ-UHFFFAOYSA-N -1 1 405.834 4.230 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063911512 851791433 /nfs/dbraw/zinc/79/14/33/851791433.db2.gz TWZGJIXAPNLXDF-UHFFFAOYSA-N -1 1 418.412 4.127 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063912085 851791803 /nfs/dbraw/zinc/79/18/03/851791803.db2.gz VHWOSTKKIWAJEV-UHFFFAOYSA-N -1 1 416.396 4.302 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000064316648 851869504 /nfs/dbraw/zinc/86/95/04/851869504.db2.gz CKYKVEMKRBBING-UHFFFAOYSA-N -1 1 402.454 4.415 20 0 HIADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000064321330 851871077 /nfs/dbraw/zinc/87/10/77/851871077.db2.gz XKUVFXCBZCSCKD-UHFFFAOYSA-N -1 1 424.497 4.436 20 0 HIADMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000064381341 851883682 /nfs/dbraw/zinc/88/36/82/851883682.db2.gz HNDMWMGIRQHDHN-UHFFFAOYSA-N -1 1 424.588 4.245 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000064467969 851905304 /nfs/dbraw/zinc/90/53/04/851905304.db2.gz LJBMMNVUJCWGJS-UHFFFAOYSA-N -1 1 414.556 4.194 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1 ZINC000064476633 851907876 /nfs/dbraw/zinc/90/78/76/851907876.db2.gz LSPBNOKKFHQDJY-UHFFFAOYSA-N -1 1 418.584 4.390 20 0 HIADMM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064938009 852026253 /nfs/dbraw/zinc/02/62/53/852026253.db2.gz HHWAVHHMLJEWPS-UHFFFAOYSA-N -1 1 418.462 4.238 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1)C1CC1 ZINC000064937816 852026372 /nfs/dbraw/zinc/02/63/72/852026372.db2.gz ZWPRVUREPFOFBO-UHFFFAOYSA-N -1 1 416.446 4.448 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(COCC3CC3)c2)c1 ZINC000065122423 852071984 /nfs/dbraw/zinc/07/19/84/852071984.db2.gz QQGIYPRKOVYFNC-UHFFFAOYSA-N -1 1 408.527 4.481 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C(C1CC1)C1CC1 ZINC000065143009 852077383 /nfs/dbraw/zinc/07/73/83/852077383.db2.gz ZWPSEUMIGMQISR-UHFFFAOYSA-N -1 1 420.481 4.026 20 0 HIADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000065142653 852077449 /nfs/dbraw/zinc/07/74/49/852077449.db2.gz WZRJPTDOWMAKCS-OAHLLOKOSA-N -1 1 400.525 4.348 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)Cn3cc(C)c4ccccc43)n2)n[n-]c1=S ZINC000065308726 852103782 /nfs/dbraw/zinc/10/37/82/852103782.db2.gz CYRYYQIXBORKCE-UHFFFAOYSA-N -1 1 424.555 4.076 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000065636588 852205866 /nfs/dbraw/zinc/20/58/66/852205866.db2.gz RUTAOAMDVNIOQM-UHFFFAOYSA-N -1 1 402.422 4.223 20 0 HIADMM Cc1occc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000065689582 852219765 /nfs/dbraw/zinc/21/97/65/852219765.db2.gz MHAJZQZOVQIWPL-UHFFFAOYSA-N -1 1 418.902 4.314 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000065841820 852280884 /nfs/dbraw/zinc/28/08/84/852280884.db2.gz YXXLXMVQNPKHRK-UHFFFAOYSA-N -1 1 416.499 4.132 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)c3ccc(OCc4cccnc4)cc3)cnc2n1 ZINC000071957369 852445761 /nfs/dbraw/zinc/44/57/61/852445761.db2.gz NAERAKNUUUKVTC-MRXNPFEDSA-N -1 1 414.465 4.109 20 0 HIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)c1ccc(OCc3cccnc3)cc1)c2=O ZINC000071957369 852445768 /nfs/dbraw/zinc/44/57/68/852445768.db2.gz NAERAKNUUUKVTC-MRXNPFEDSA-N -1 1 414.465 4.109 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)c3ccc(OCc4cccnc4)cc3)cnc2n1 ZINC000071957368 852446209 /nfs/dbraw/zinc/44/62/09/852446209.db2.gz NAERAKNUUUKVTC-INIZCTEOSA-N -1 1 414.465 4.109 20 0 HIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)c1ccc(OCc3cccnc3)cc1)c2=O ZINC000071957368 852446214 /nfs/dbraw/zinc/44/62/14/852446214.db2.gz NAERAKNUUUKVTC-INIZCTEOSA-N -1 1 414.465 4.109 20 0 HIADMM COc1ccc(C(=O)[N-]C(=O)CSc2nc3ccccc3n2CCC(C)C)cc1 ZINC000072099203 852509771 /nfs/dbraw/zinc/50/97/71/852509771.db2.gz GIQUKPALEBXKBL-UHFFFAOYSA-N -1 1 411.527 4.140 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000097039748 852576290 /nfs/dbraw/zinc/57/62/90/852576290.db2.gz FDEVRNGJMVIXCQ-UHFFFAOYSA-N -1 1 400.479 4.483 20 0 HIADMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000097075362 852580837 /nfs/dbraw/zinc/58/08/37/852580837.db2.gz LBTUSVDHSUBTSH-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc([O-])cc1O ZINC000097316510 852601271 /nfs/dbraw/zinc/60/12/71/852601271.db2.gz IKAOEWUBVHTQAU-UHFFFAOYSA-N -1 1 403.463 4.321 20 0 HIADMM CCOc1ccc(-c2nc(C)c(C(=O)NCc3n[n-]c(=S)n3C3CC3)s2)cc1 ZINC000097550905 852629171 /nfs/dbraw/zinc/62/91/71/852629171.db2.gz DHLNCNLMFTVNMH-UHFFFAOYSA-N -1 1 415.544 4.036 20 0 HIADMM CCOc1ccc(-c2nc(C(=O)NCCc3n[n-]c(=S)n3C(C)C)cs2)cc1 ZINC000097552756 852630240 /nfs/dbraw/zinc/63/02/40/852630240.db2.gz LHPLRJSEROUMRO-UHFFFAOYSA-N -1 1 417.560 4.016 20 0 HIADMM CCn1c([C@H]2CCCN(C(=O)c3csc(-c4ccccc4F)n3)C2)n[n-]c1=S ZINC000097570147 852632518 /nfs/dbraw/zinc/63/25/18/852632518.db2.gz DBMHKLYUYNNVPF-LBPRGKRZSA-N -1 1 417.535 4.243 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCc2ccc(F)cc2C(F)(F)F)c1 ZINC000107619949 852782032 /nfs/dbraw/zinc/78/20/32/852782032.db2.gz WYYBPMXRAPKTAP-UHFFFAOYSA-N -1 1 424.423 4.390 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3c3ccccn3)c2)cc1 ZINC000108894810 852890384 /nfs/dbraw/zinc/89/03/84/852890384.db2.gz QOMPDZKWBLEVSX-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cnc(C(C)(C)C)nc3)c2)cc1 ZINC000109126614 852924449 /nfs/dbraw/zinc/92/44/49/852924449.db2.gz SNAAJUNFBWZWEI-UHFFFAOYSA-N -1 1 424.526 4.136 20 0 HIADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000109676962 852998412 /nfs/dbraw/zinc/99/84/12/852998412.db2.gz PYRBCNIKGCZINK-UHFFFAOYSA-N -1 1 409.515 4.093 20 0 HIADMM Cc1cccc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000109863456 853026098 /nfs/dbraw/zinc/02/60/98/853026098.db2.gz GZGBHORXYYNPRQ-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM CN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110013318 853046813 /nfs/dbraw/zinc/04/68/13/853046813.db2.gz UTCKTETZXFKHHP-OAQYLSRUSA-N -1 1 424.447 4.087 20 0 HIADMM COc1ccc([C@@H]2CCN(C(=O)CCn3c(=S)[n-]nc3-c3cccc(C)c3)C2)cc1 ZINC000110072223 853056881 /nfs/dbraw/zinc/05/68/81/853056881.db2.gz QLYWMTOZPOLXAC-LJQANCHMSA-N -1 1 422.554 4.331 20 0 HIADMM Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000110232070 853076876 /nfs/dbraw/zinc/07/68/76/853076876.db2.gz KGBNFRMBRFUZLL-JOCHJYFZSA-N -1 1 402.494 4.083 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCn4cccc4[C@@H]3C)c2)c1 ZINC000110483185 853106580 /nfs/dbraw/zinc/10/65/80/853106580.db2.gz QGXRKTIQBNRAIO-SFHVURJKSA-N -1 1 423.538 4.123 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000116096923 853283810 /nfs/dbraw/zinc/28/38/10/853283810.db2.gz HTQPKCZFCFFNHT-UHFFFAOYSA-N -1 1 410.477 4.379 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c2n[nH]cc21 ZINC000116119869 853284417 /nfs/dbraw/zinc/28/44/17/853284417.db2.gz GQMXZJDYBOAONV-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC000116167837 853288591 /nfs/dbraw/zinc/28/85/91/853288591.db2.gz ONRQMJVLQBEPKC-UHFFFAOYSA-N -1 1 421.526 4.194 20 0 HIADMM C[C@@H](Cc1ccccc1F)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000116612593 853319577 /nfs/dbraw/zinc/31/95/77/853319577.db2.gz MPBCEPBIXFLKRJ-AOMKIAJQSA-N -1 1 420.484 4.037 20 0 HIADMM CCCCCCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000140074485 853433611 /nfs/dbraw/zinc/43/36/11/853433611.db2.gz QKBBQDUXCSCVJJ-UHFFFAOYSA-N -1 1 418.515 4.029 20 0 HIADMM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000195667269 853747499 /nfs/dbraw/zinc/74/74/99/853747499.db2.gz PCHHXSLZZQMFBE-RDJZCZTQSA-N -1 1 404.507 4.183 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1csc(C2CC2)n1 ZINC000195749804 853792533 /nfs/dbraw/zinc/79/25/33/853792533.db2.gz ULTUGGCKZCCATQ-UHFFFAOYSA-N -1 1 417.487 4.213 20 0 HIADMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCCOc1ccccc1Cl ZINC000211357695 853815954 /nfs/dbraw/zinc/81/59/54/853815954.db2.gz TYJMSKPUKWRKGB-GZTJUZNOSA-N -1 1 405.859 4.130 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c(C)c1 ZINC000215787534 853837799 /nfs/dbraw/zinc/83/77/99/853837799.db2.gz XACFCJUXQJTSJR-UHFFFAOYSA-N -1 1 402.497 4.070 20 0 HIADMM Cc1ccc(C(=O)N(C)C(C2CC2)C2CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000215948547 853840500 /nfs/dbraw/zinc/84/05/00/853840500.db2.gz FMFRTCCFXWSNEW-UHFFFAOYSA-N -1 1 416.518 4.196 20 0 HIADMM CCOc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc(Cl)c1[O-] ZINC000218617609 853863017 /nfs/dbraw/zinc/86/30/17/853863017.db2.gz HGSSACRQQRNFSC-UHFFFAOYSA-N -1 1 414.845 4.220 20 0 HIADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cc(Br)cnc1Cl ZINC000231817400 853897646 /nfs/dbraw/zinc/89/76/46/853897646.db2.gz PHKLELGJPVKSCI-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM COc1ccc(Cl)cc1-c1nc(SCc2cc(=O)oc3cc([O-])ccc23)n[nH]1 ZINC000255931563 854220502 /nfs/dbraw/zinc/22/05/02/854220502.db2.gz DDFUJSIWRBAWOH-UHFFFAOYSA-N -1 1 415.858 4.238 20 0 HIADMM COc1ccc(Br)cc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261369468 854236340 /nfs/dbraw/zinc/23/63/40/854236340.db2.gz ZBRMXMYYEHQOPV-UHFFFAOYSA-N -1 1 404.304 4.258 20 0 HIADMM O=C(CN1CCC(C(=O)c2ccc([O-])cc2)CC1)N(Cc1ccco1)c1ccccc1 ZINC000261369364 854236395 /nfs/dbraw/zinc/23/63/95/854236395.db2.gz MDTDSHBUYKEALT-UHFFFAOYSA-N -1 1 418.493 4.113 20 0 HIADMM C[C@H](NC(=O)[C@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)cc1 ZINC000261369484 854236567 /nfs/dbraw/zinc/23/65/67/854236567.db2.gz ZVYJUZXXSSJQCB-HOTGVXAUSA-N -1 1 414.933 4.206 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c1 ZINC000261410747 854252417 /nfs/dbraw/zinc/25/24/17/854252417.db2.gz CSJXSGWBTQLQEV-LJAQVGFWSA-N -1 1 414.527 4.184 20 0 HIADMM O=S(=O)([N-]c1ccccc1CNc1ncnc2ccc(F)cc21)c1ccccc1 ZINC000301205178 854327567 /nfs/dbraw/zinc/32/75/67/854327567.db2.gz YNXPNZRZLZUQMT-UHFFFAOYSA-N -1 1 408.458 4.182 20 0 HIADMM Cn1c(-c2ccccc2)cnc1Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000301348494 854367581 /nfs/dbraw/zinc/36/75/81/854367581.db2.gz LOBAQASQLKBYNP-UHFFFAOYSA-N -1 1 400.467 4.073 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccccc3OCC(F)(F)F)nc2)[n-]c(=O)c1C ZINC000301385756 854379071 /nfs/dbraw/zinc/37/90/71/854379071.db2.gz WYXZFKQCKTVRFH-UHFFFAOYSA-N -1 1 404.392 4.414 20 0 HIADMM Cc1nc(-c2ccc(N3CCC[C@@H](c4nc5ccccc5o4)C3)nc2)[n-]c(=O)c1C ZINC000301503508 854408923 /nfs/dbraw/zinc/40/89/23/854408923.db2.gz FYVQKXVBTJYGJE-QGZVFWFLSA-N -1 1 401.470 4.386 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)nc2)[n-]c(=O)c1C ZINC000301742977 854456763 /nfs/dbraw/zinc/45/67/63/854456763.db2.gz VPEQAZPFZORCNM-OAQYLSRUSA-N -1 1 406.486 4.441 20 0 HIADMM Cc1nnc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000301820694 854471299 /nfs/dbraw/zinc/47/12/99/854471299.db2.gz BDMUNEMIUHPRLM-CZUORRHYSA-N -1 1 421.530 4.323 20 0 HIADMM CC[C@@H](C)[C@@H](C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-])c1ccccc1 ZINC000301997401 854513015 /nfs/dbraw/zinc/51/30/15/854513015.db2.gz NWFKTIZMPMMKPU-IIBYNOLFSA-N -1 1 418.559 4.191 20 0 HIADMM CC(C)Cc1nsc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)n1 ZINC000302324043 854561357 /nfs/dbraw/zinc/56/13/57/854561357.db2.gz XILALCVUOUWMGA-UHFFFAOYSA-N -1 1 402.545 4.150 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n(-c2ccncc2)n1 ZINC000437317182 862583948 /nfs/dbraw/zinc/58/39/48/862583948.db2.gz ZDHKKPWNODQEKF-UHFFFAOYSA-N -1 1 416.812 4.049 20 0 HIADMM O=C([N-]OCc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000302957596 854695567 /nfs/dbraw/zinc/69/55/67/854695567.db2.gz BNMPSXIZHNSOBX-ZCYQVOJMSA-N -1 1 414.505 4.415 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 ZINC000303012379 854723160 /nfs/dbraw/zinc/72/31/60/854723160.db2.gz NAMMOCLFQUXZGW-XLIONFOSSA-N -1 1 422.554 4.295 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000303252450 854835949 /nfs/dbraw/zinc/83/59/49/854835949.db2.gz NMTVWMLJVWPMJI-UHFFFAOYSA-N -1 1 420.494 4.244 20 0 HIADMM O=C([N-]c1nc(-c2cccs2)cs1)c1sccc1S(=O)(=O)C(F)F ZINC000303256035 854837814 /nfs/dbraw/zinc/83/78/14/854837814.db2.gz DFJBLSQMXRNOEA-UHFFFAOYSA-N -1 1 406.482 4.182 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(N2CCCC2)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000303316613 854868753 /nfs/dbraw/zinc/86/87/53/854868753.db2.gz ACILUHLIDCPYOY-UHFFFAOYSA-N -1 1 422.375 4.264 20 0 HIADMM CCCO[C@H]1CCCN(C(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)CC1 ZINC000303423005 854925151 /nfs/dbraw/zinc/92/51/51/854925151.db2.gz YZEURBMSGOTKBL-SFHVURJKSA-N -1 1 402.564 4.114 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@@](C)(c3ccccc3)C2)c1 ZINC000303541073 855026936 /nfs/dbraw/zinc/02/69/36/855026936.db2.gz HXHLPOAXTJPGDS-HSZRJFAPSA-N -1 1 406.555 4.496 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000303629765 855088120 /nfs/dbraw/zinc/08/81/20/855088120.db2.gz YMKWAFBENIQIQF-JOCHJYFZSA-N -1 1 420.534 4.117 20 0 HIADMM CS[C@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000303691222 855136487 /nfs/dbraw/zinc/13/64/87/855136487.db2.gz PRNHKBDRMQZXLO-ROUUACIJSA-N -1 1 422.547 4.031 20 0 HIADMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1nccs1 ZINC000303727056 855153894 /nfs/dbraw/zinc/15/38/94/855153894.db2.gz CKWDOJLBDJWLJC-SFHVURJKSA-N -1 1 415.540 4.133 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000303745167 855167081 /nfs/dbraw/zinc/16/70/81/855167081.db2.gz JRLMJFLLCKCUBE-UYAOXDASSA-N -1 1 406.555 4.444 20 0 HIADMM O=S(=O)([N-][C@@H]1CCC[C@H]1Cc1ccccc1)c1sccc1Br ZINC000303752979 855173523 /nfs/dbraw/zinc/17/35/23/855173523.db2.gz CFKXWSGSNFSTJA-DZGCQCFKSA-N -1 1 400.363 4.200 20 0 HIADMM CCCC[C@H](COC)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000303772568 855188709 /nfs/dbraw/zinc/18/87/09/855188709.db2.gz NDEOIQKOYNRPAP-LJQANCHMSA-N -1 1 418.559 4.039 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000303809487 855213659 /nfs/dbraw/zinc/21/36/59/855213659.db2.gz KWAAZGOLWOBVKK-CYBMUJFWSA-N -1 1 418.868 4.164 20 0 HIADMM CCn1c2ccccc2c2cc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)ccc21 ZINC000303828472 855228605 /nfs/dbraw/zinc/22/86/05/855228605.db2.gz OFPAMNNPLXPXOI-UHFFFAOYSA-N -1 1 413.437 4.125 20 0 HIADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000303855130 855249886 /nfs/dbraw/zinc/24/98/86/855249886.db2.gz SIUMFKIJTQQBOU-QFIPXVFZSA-N -1 1 423.538 4.496 20 0 HIADMM O=C(Nc1cc(F)c(F)c(F)c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000303882203 855267157 /nfs/dbraw/zinc/26/71/57/855267157.db2.gz ONYSDPDLLNNLHU-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM Cc1cc(C)c([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c(Br)c1 ZINC000316692648 855380050 /nfs/dbraw/zinc/38/00/50/855380050.db2.gz ZEARVAOGWNRMEG-UHFFFAOYSA-N -1 1 420.741 4.229 20 0 HIADMM COC(=O)c1cc([N-]C(=O)c2c(F)cc(Br)cc2F)c(F)cc1F ZINC000325363115 855402689 /nfs/dbraw/zinc/40/26/89/855402689.db2.gz FBNXBISWBRYDCY-UHFFFAOYSA-N -1 1 406.129 4.044 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SCC(F)(F)F ZINC000327449211 855417132 /nfs/dbraw/zinc/41/71/32/855417132.db2.gz SZSJRPZJDTYAJC-UHFFFAOYSA-N -1 1 411.448 4.210 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409454460 855487405 /nfs/dbraw/zinc/48/74/05/855487405.db2.gz YFEZFIKNBPUSEJ-UTKZUKDTSA-N -1 1 424.298 4.387 20 0 HIADMM CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000410062916 855805820 /nfs/dbraw/zinc/80/58/20/855805820.db2.gz TUCWNMWPZSGKCL-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM CC(C)(C)OC(=O)c1cccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000410298962 855914547 /nfs/dbraw/zinc/91/45/47/855914547.db2.gz RZEXVEZXNGXZDS-UHFFFAOYSA-N -1 1 402.516 4.312 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C2CCCC2)cc1 ZINC000410320509 855926789 /nfs/dbraw/zinc/92/67/89/855926789.db2.gz DSWIMLRJXQJNJL-UHFFFAOYSA-N -1 1 401.532 4.215 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(Cl)cc1Br ZINC000410372456 855957952 /nfs/dbraw/zinc/95/79/52/855957952.db2.gz NJFRFXRRZUTPQQ-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000410417631 855986745 /nfs/dbraw/zinc/98/67/45/855986745.db2.gz LFWHPNDNZRBOQM-UHFFFAOYSA-N -1 1 409.515 4.127 20 0 HIADMM CCC(C)(C)OCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1C ZINC000425971051 856023122 /nfs/dbraw/zinc/02/31/22/856023122.db2.gz LWXUOLGOVHCLNF-UHFFFAOYSA-N -1 1 421.515 4.208 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(CN(C)Cc3cscn3)c2)cc(C)c1F ZINC000437401624 862748943 /nfs/dbraw/zinc/74/89/43/862748943.db2.gz AKLZMYPFHODZQT-UHFFFAOYSA-N -1 1 419.547 4.332 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000437401660 862751336 /nfs/dbraw/zinc/75/13/36/862751336.db2.gz AVWOSXXBRMVZDR-UAPYVXQJSA-N -1 1 424.497 4.303 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cc[nH]c1C ZINC000426029031 856056998 /nfs/dbraw/zinc/05/69/98/856056998.db2.gz JDLQDFCBAIJCTQ-UHFFFAOYSA-N -1 1 419.890 4.038 20 0 HIADMM C[C@H]1CCCN1C(=O)c1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCSC4)cc1 ZINC000426123194 856122775 /nfs/dbraw/zinc/12/27/75/856122775.db2.gz LWZBLDPGFWKMAE-LBPRGKRZSA-N -1 1 411.552 4.478 20 0 HIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1csc([C@@H]2CCCO2)n1 ZINC000426283198 856219269 /nfs/dbraw/zinc/21/92/69/856219269.db2.gz MPVXDCXABQJPQN-ZDUSSCGKSA-N -1 1 406.920 4.343 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000437417180 862786867 /nfs/dbraw/zinc/78/68/67/862786867.db2.gz GWRMDNLUEPXESS-MEMLXQNLSA-N -1 1 420.534 4.472 20 0 HIADMM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000426679835 856409710 /nfs/dbraw/zinc/40/97/10/856409710.db2.gz JKWFXIPACBVXNB-SFHVURJKSA-N -1 1 400.272 4.495 20 0 HIADMM COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2cc(C(=O)[O-])co2)cc1 ZINC000426703742 856421196 /nfs/dbraw/zinc/42/11/96/856421196.db2.gz HPNJJTYGAMBOSQ-UHFFFAOYSA-N -1 1 403.438 4.129 20 0 HIADMM COc1ccc(-c2ccncc2)cc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426727977 856438181 /nfs/dbraw/zinc/43/81/81/856438181.db2.gz RVAQNMDQMCGTKE-FQEVSTJZSA-N -1 1 400.837 4.465 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1ccc(OCC2CC2)cc1)C(=O)[O-] ZINC000426743665 856448541 /nfs/dbraw/zinc/44/85/41/856448541.db2.gz AYUDLBACSOHYDS-IBGZPJMESA-N -1 1 420.303 4.162 20 0 HIADMM COc1c(Br)cccc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426753226 856456034 /nfs/dbraw/zinc/45/60/34/856456034.db2.gz CPUYIXFFWQNJII-CQSZACIVSA-N -1 1 402.647 4.166 20 0 HIADMM COc1ccc(Br)cc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426762248 856463920 /nfs/dbraw/zinc/46/39/20/856463920.db2.gz IODQRBZPWCAECT-HNNXBMFYSA-N -1 1 402.647 4.166 20 0 HIADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Br)c(Br)c2)o1 ZINC000426790763 856480131 /nfs/dbraw/zinc/48/01/31/856480131.db2.gz BOCSLPBVUXMHFW-CYBMUJFWSA-N -1 1 417.097 4.419 20 0 HIADMM O=C([O-])[C@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1cccc(F)c1 ZINC000426810906 856491268 /nfs/dbraw/zinc/49/12/68/856491268.db2.gz JZJLMWCGROYZDI-GOSISDBHSA-N -1 1 407.367 4.005 20 0 HIADMM Cc1nn(-c2ccccc2)cc1CN[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000426827671 856502145 /nfs/dbraw/zinc/50/21/45/856502145.db2.gz IZGBIJSELFVAMV-LJQANCHMSA-N -1 1 414.303 4.249 20 0 HIADMM COc1cc2c(c(CN[C@@H](CC(=O)[O-])c3cccc(Br)c3)c1)O[C@H](C)C2 ZINC000426835658 856506145 /nfs/dbraw/zinc/50/61/45/856506145.db2.gz RLYFLZLBUAAXCN-XIKOKIGWSA-N -1 1 420.303 4.087 20 0 HIADMM Cc1cnc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1 ZINC000427039919 856607044 /nfs/dbraw/zinc/60/70/44/856607044.db2.gz CNXMHHBDTQVTNQ-HNNXBMFYSA-N -1 1 415.540 4.052 20 0 HIADMM Cc1cc(C)nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000437462698 862825682 /nfs/dbraw/zinc/82/56/82/862825682.db2.gz ZSIDAADGDZIDAO-UHFFFAOYSA-N -1 1 417.437 4.030 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC(C)(C)[C@H]1C1CC1 ZINC000427238887 856730606 /nfs/dbraw/zinc/73/06/06/856730606.db2.gz YHBGPDZQPQWMGZ-HXUWFJFHSA-N -1 1 416.518 4.196 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C(=O)N(C)C(C)C)c3)cc2s1 ZINC000427326254 856773184 /nfs/dbraw/zinc/77/31/84/856773184.db2.gz DFFGASOVNKZJNB-UHFFFAOYSA-N -1 1 417.556 4.194 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1Cl ZINC000427328969 856775019 /nfs/dbraw/zinc/77/50/19/856775019.db2.gz FTMUQTWJCWGVRQ-UHFFFAOYSA-N -1 1 405.863 4.063 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc4c3CN(c3ccccn3)C4)cc2s1 ZINC000427334917 856779075 /nfs/dbraw/zinc/77/90/75/856779075.db2.gz CQZJFUXBAZFNNB-UHFFFAOYSA-N -1 1 422.535 4.321 20 0 HIADMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC000437485002 862843457 /nfs/dbraw/zinc/84/34/57/862843457.db2.gz KPXHDRQOWPYVTM-QRWLVFNGSA-N -1 1 420.513 4.250 20 0 HIADMM Cc1cc(C)nc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC000437486921 862844387 /nfs/dbraw/zinc/84/43/87/862844387.db2.gz XKOWIGRQJDMFGQ-UHFFFAOYSA-N -1 1 413.474 4.199 20 0 HIADMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc(SC)[n-]c2=O)o1 ZINC000437487276 862844557 /nfs/dbraw/zinc/84/45/57/862844557.db2.gz YUCAUYMIWBDIGV-DYVFJYSZSA-N -1 1 403.548 4.300 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc2cccnc21 ZINC000427643393 856895147 /nfs/dbraw/zinc/89/51/47/856895147.db2.gz ZJBFLVBEMQOQDQ-UHFFFAOYSA-N -1 1 414.817 4.299 20 0 HIADMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c1 ZINC000427792057 856956982 /nfs/dbraw/zinc/95/69/82/856956982.db2.gz HBSDUVGHFAUOSU-UHFFFAOYSA-N -1 1 405.516 4.242 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCS[C@@H](C)CC3)ccc2C)cc1 ZINC000427915052 857005762 /nfs/dbraw/zinc/00/57/62/857005762.db2.gz MTGKUBDONJNUIX-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)cc(Cl)c1[O-] ZINC000428025783 857047010 /nfs/dbraw/zinc/04/70/10/857047010.db2.gz VOSISOYGSPLHQG-UHFFFAOYSA-N -1 1 402.878 4.241 20 0 HIADMM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1nc[n-]c1C(=O)c1ccccc1 ZINC000428253333 857127363 /nfs/dbraw/zinc/12/73/63/857127363.db2.gz BBLJFQNNXNNKLX-UHFFFAOYSA-N -1 1 411.874 4.008 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000428472880 857215100 /nfs/dbraw/zinc/21/51/00/857215100.db2.gz CMCARYWQJCPFBA-CTYIDZIISA-N -1 1 418.335 4.227 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CC[C@H]2CCC[C@H]21 ZINC000428525488 857240716 /nfs/dbraw/zinc/24/07/16/857240716.db2.gz ZXOWYXKCRCODAD-BFUOFWGJSA-N -1 1 422.909 4.295 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000428546214 857256957 /nfs/dbraw/zinc/25/69/57/857256957.db2.gz WYRLPWNJNQZNOH-JOCHJYFZSA-N -1 1 416.525 4.412 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3(C)CCCC3)cc2)ccc1F ZINC000428660234 857291567 /nfs/dbraw/zinc/29/15/67/857291567.db2.gz BCQKGSRCHAIQMP-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM COc1cc(NC(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000428887201 857390671 /nfs/dbraw/zinc/39/06/71/857390671.db2.gz LYBAAYPFFSXBAG-SFHVURJKSA-N -1 1 423.510 4.115 20 0 HIADMM Cc1cccc2c1CN(C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)CC2 ZINC000429609109 857790336 /nfs/dbraw/zinc/79/03/36/857790336.db2.gz HZJGMIJNVJIFQI-UHFFFAOYSA-N -1 1 421.522 4.386 20 0 HIADMM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1c(Cl)cc(F)cc1Br ZINC000430033696 858004610 /nfs/dbraw/zinc/00/46/10/858004610.db2.gz RMFUYVUKKPSJQS-SMDDNHRTSA-N -1 1 404.688 4.076 20 0 HIADMM C[C@H]1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000430448290 858169876 /nfs/dbraw/zinc/16/98/76/858169876.db2.gz OOYXTMYHKVMQJV-KSSFIOAISA-N -1 1 406.935 4.401 20 0 HIADMM CCOc1cc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc(Cl)c1[O-] ZINC000430454930 858173729 /nfs/dbraw/zinc/17/37/29/858173729.db2.gz NOYSALPYHIKVOS-UGKGYDQZSA-N -1 1 421.896 4.087 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)cc2)cc1 ZINC000430457423 858174834 /nfs/dbraw/zinc/17/48/34/858174834.db2.gz QOOSBMNBYYKSAW-QFBILLFUSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)cc2)c1C ZINC000430470167 858182622 /nfs/dbraw/zinc/18/26/22/858182622.db2.gz RGJGGRFIFZWXKY-DNVCBOLYSA-N -1 1 400.544 4.365 20 0 HIADMM CCc1cccnc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430573915 858223701 /nfs/dbraw/zinc/22/37/01/858223701.db2.gz NBYHZNYXARWUHH-UHFFFAOYSA-N -1 1 406.667 4.154 20 0 HIADMM CCc1noc(C)c1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430585154 858227098 /nfs/dbraw/zinc/22/70/98/858227098.db2.gz RFQYZOSRHFBVTI-UHFFFAOYSA-N -1 1 410.655 4.055 20 0 HIADMM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000437661635 863000871 /nfs/dbraw/zinc/00/08/71/863000871.db2.gz NWJHGDNMUHAPAT-UHFFFAOYSA-N -1 1 400.678 4.113 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncc(Br)cn3)c2)cc1 ZINC000431182507 858492064 /nfs/dbraw/zinc/49/20/64/858492064.db2.gz NBIOBIJMYKZDFT-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)cc1 ZINC000431329754 858568626 /nfs/dbraw/zinc/56/86/26/858568626.db2.gz CYVVFUNUNKGMSA-UHFFFAOYSA-N -1 1 420.494 4.175 20 0 HIADMM C[C@H](C(=O)Nc1cc([O-])c(Br)cc1Br)N1[C@H](C)CC[C@@H]1C ZINC000431442583 858617349 /nfs/dbraw/zinc/61/73/49/858617349.db2.gz DFCYBAPTPLZSOL-KXUCPTDWSA-N -1 1 420.145 4.117 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1n[nH]c2ccccc21 ZINC000431458230 858626656 /nfs/dbraw/zinc/62/66/56/858626656.db2.gz LAGPWVCWCXDAFZ-UHFFFAOYSA-N -1 1 411.053 4.046 20 0 HIADMM Cc1nc(C(C)C)oc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000431945508 858882007 /nfs/dbraw/zinc/88/20/07/858882007.db2.gz HXIYAAIZSDYTFP-UHFFFAOYSA-N -1 1 417.462 4.299 20 0 HIADMM COc1cc(Cl)cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000432008235 858922719 /nfs/dbraw/zinc/92/27/19/858922719.db2.gz UPXITRPQWSHWAW-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cc2s1 ZINC000432187580 859037569 /nfs/dbraw/zinc/03/75/69/859037569.db2.gz QHXGFGBWDVVQEY-UHFFFAOYSA-N -1 1 413.524 4.236 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ncc(-c3ccc(F)cc3)s2)c(=O)[n-]1 ZINC000432214305 859050711 /nfs/dbraw/zinc/05/07/11/859050711.db2.gz HUWVHXHNPYXJMB-UHFFFAOYSA-N -1 1 404.492 4.046 20 0 HIADMM O=S(=O)([N-]CCc1cccc(C(F)(F)F)n1)c1c(Cl)cc(F)cc1Cl ZINC000432302188 859093257 /nfs/dbraw/zinc/09/32/57/859093257.db2.gz PIYHVPNERWMCOC-UHFFFAOYSA-N -1 1 417.211 4.067 20 0 HIADMM O=C(NC[C@H]1CCC(F)(F)C1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000432419285 859156022 /nfs/dbraw/zinc/15/60/22/859156022.db2.gz AUDAFNWQTHVSAV-AWEZNQCLSA-N -1 1 409.458 4.044 20 0 HIADMM CC(C)Oc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1C(N)=O ZINC000432492927 859191675 /nfs/dbraw/zinc/19/16/75/859191675.db2.gz KQJNNTLGSSPQFE-UHFFFAOYSA-N -1 1 410.495 4.041 20 0 HIADMM Cc1c(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)oc2c1C(=O)CCC2 ZINC000432577882 859236501 /nfs/dbraw/zinc/23/65/01/859236501.db2.gz IFRCMLCJQORSNZ-OAHLLOKOSA-N -1 1 407.495 4.679 20 0 HIADMM Cc1ccc(C(=O)N2CC3(CCC3)C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000432622304 859258865 /nfs/dbraw/zinc/25/88/65/859258865.db2.gz YJIIJVQQKNCOPR-INIZCTEOSA-N -1 1 416.518 4.340 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1C ZINC000432628680 859261351 /nfs/dbraw/zinc/26/13/51/859261351.db2.gz FPRYFOHVOLTVHM-UHFFFAOYSA-N -1 1 413.499 4.099 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1C ZINC000432638821 859266337 /nfs/dbraw/zinc/26/63/37/859266337.db2.gz PQSJDSXLIAEWCK-UHFFFAOYSA-N -1 1 415.437 4.264 20 0 HIADMM COC(=O)c1cnc(S[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)[n-]1 ZINC000432668720 859281147 /nfs/dbraw/zinc/28/11/47/859281147.db2.gz ODSWCKMUYLAFQE-CYBMUJFWSA-N -1 1 402.303 4.259 20 0 HIADMM COC(=O)c1c[n-]c(S[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)n1 ZINC000432668720 859281164 /nfs/dbraw/zinc/28/11/64/859281164.db2.gz ODSWCKMUYLAFQE-CYBMUJFWSA-N -1 1 402.303 4.259 20 0 HIADMM COC(=O)c1c[n-]c(SCc2nc(=O)c3c(-c4ccc(C)s4)csc3[nH]2)n1 ZINC000432680545 859290342 /nfs/dbraw/zinc/29/03/42/859290342.db2.gz YSHHUWJATOAJMQ-UHFFFAOYSA-N -1 1 418.525 4.236 20 0 HIADMM Cc1cc(-c2noc(-c3cc(S(=O)(=O)[N-]c4ccc(F)cc4)ccc3C)n2)ccn1 ZINC000432692113 859297180 /nfs/dbraw/zinc/29/71/80/859297180.db2.gz GGTGNUHGDZMZTE-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2cc(Br)c(Cl)s2)[n-]c1=O ZINC000432699265 859302253 /nfs/dbraw/zinc/30/22/53/859302253.db2.gz NOJUCEGPWAMHPG-DAXSKMNVSA-N -1 1 403.685 4.397 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1Cl ZINC000432765591 859345057 /nfs/dbraw/zinc/34/50/57/859345057.db2.gz MTCVOHAMGPAKLZ-UHFFFAOYSA-N -1 1 418.906 4.120 20 0 HIADMM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cn1 ZINC000432766840 859346603 /nfs/dbraw/zinc/34/66/03/859346603.db2.gz RHHWKLOJIHNIQR-UHFFFAOYSA-N -1 1 413.499 4.058 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nccc(C)n3)cc2)cc1Cl ZINC000432781630 859357111 /nfs/dbraw/zinc/35/71/11/859357111.db2.gz SDSNYSWLCKHNFG-UHFFFAOYSA-N -1 1 403.891 4.223 20 0 HIADMM CCC[C@H](NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)c1nn[n-]n1 ZINC000467645972 881440969 /nfs/dbraw/zinc/44/09/69/881440969.db2.gz LEQJCSWABMGCTG-IBGZPJMESA-N -1 1 406.465 4.077 20 0 HIADMM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000433651062 859824791 /nfs/dbraw/zinc/82/47/91/859824791.db2.gz TWKNZKXFWBEBMN-HTQZYQBOSA-N -1 1 404.804 4.117 20 0 HIADMM CC[C@](C)([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1nccs1 ZINC000433639914 859820638 /nfs/dbraw/zinc/82/06/38/859820638.db2.gz OXLUULJICXIMGK-NSHDSACASA-N -1 1 415.787 4.224 20 0 HIADMM O=S(=O)([N-]Cc1cccc2cccnc21)c1cc(Br)sc1Cl ZINC000433643285 859821376 /nfs/dbraw/zinc/82/13/76/859821376.db2.gz SSGRQIVSNZIQBM-UHFFFAOYSA-N -1 1 417.737 4.191 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2C)c1 ZINC000433799946 859898599 /nfs/dbraw/zinc/89/85/99/859898599.db2.gz AHLOKNPKHPAALI-UHFFFAOYSA-N -1 1 410.543 4.343 20 0 HIADMM CCSCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000434305604 860268881 /nfs/dbraw/zinc/26/88/81/860268881.db2.gz LXQXMKSASMXIBL-OAHLLOKOSA-N -1 1 424.563 4.230 20 0 HIADMM CC(C)[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccnc1 ZINC000434339871 860300313 /nfs/dbraw/zinc/30/03/13/860300313.db2.gz ALYCQOOUXXLHCV-QFIPXVFZSA-N -1 1 423.538 4.052 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)c1 ZINC000434386048 860327173 /nfs/dbraw/zinc/32/71/73/860327173.db2.gz UGQFIFFTWAGBKE-UHFFFAOYSA-N -1 1 415.287 4.195 20 0 HIADMM CCCNc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000434548121 860395855 /nfs/dbraw/zinc/39/58/55/860395855.db2.gz DBJLUTVTHOSBER-UHFFFAOYSA-N -1 1 423.538 4.239 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000467748503 881555080 /nfs/dbraw/zinc/55/50/80/881555080.db2.gz YUGOVHKDMULCHG-DYVFJYSZSA-N -1 1 407.488 4.182 20 0 HIADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(F)ccc2Br)[nH]n1 ZINC000434974549 860582970 /nfs/dbraw/zinc/58/29/70/860582970.db2.gz SUIDFONVXXQTNL-UHFFFAOYSA-N -1 1 410.268 4.088 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1 ZINC000435139497 860660820 /nfs/dbraw/zinc/66/08/20/860660820.db2.gz WUGAKUDBRUCGPK-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000435141821 860662694 /nfs/dbraw/zinc/66/26/94/860662694.db2.gz CFGMIYXKSIPOLM-SBUREZEXSA-N -1 1 409.489 4.142 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC000467760237 881577057 /nfs/dbraw/zinc/57/70/57/881577057.db2.gz WURZCDBTNQTOCD-UHFFFAOYSA-N -1 1 424.434 4.428 20 0 HIADMM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000435412512 860791152 /nfs/dbraw/zinc/79/11/52/860791152.db2.gz QLRRQWRTQOACTO-UHFFFAOYSA-N -1 1 413.499 4.009 20 0 HIADMM O=S(=O)([N-]C1(c2ccc(F)cc2)CCOCC1)c1c(Cl)cc(F)cc1Cl ZINC000435424479 860795848 /nfs/dbraw/zinc/79/58/48/860795848.db2.gz VPDWYVKOHODUJS-UHFFFAOYSA-N -1 1 422.280 4.256 20 0 HIADMM CCn1c(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)nc2ccccc21 ZINC000435434447 860797850 /nfs/dbraw/zinc/79/78/50/860797850.db2.gz YESWERXFJNETPB-UHFFFAOYSA-N -1 1 416.305 4.023 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccc2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435437847 860799093 /nfs/dbraw/zinc/79/90/93/860799093.db2.gz MQIZFKLEJIGVJY-CZUORRHYSA-N -1 1 404.290 4.331 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435437850 860799165 /nfs/dbraw/zinc/79/91/65/860799165.db2.gz MQIZFKLEJIGVJY-XJKSGUPXSA-N -1 1 404.290 4.331 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)N(C)C)ccc2C)c2ccccc12 ZINC000435476528 860812975 /nfs/dbraw/zinc/81/29/75/860812975.db2.gz GVCOGMYDDZSIRC-UHFFFAOYSA-N -1 1 413.499 4.051 20 0 HIADMM Cc1noc(C)c1C(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000435524562 860841474 /nfs/dbraw/zinc/84/14/74/860841474.db2.gz ABRKQZBDGIWZLO-UHFFFAOYSA-N -1 1 413.499 4.009 20 0 HIADMM Cn1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2cc(F)ccc21 ZINC000435529242 860845024 /nfs/dbraw/zinc/84/50/24/860845024.db2.gz RBVZSSJFJSSMQZ-UHFFFAOYSA-N -1 1 423.469 4.371 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)cnc2n1 ZINC000435745594 861026052 /nfs/dbraw/zinc/02/60/52/861026052.db2.gz OFEAMAYHBPRRDT-NSHDSACASA-N -1 1 422.432 4.139 20 0 HIADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)c[n-]c2n1 ZINC000435745594 861026065 /nfs/dbraw/zinc/02/60/65/861026065.db2.gz OFEAMAYHBPRRDT-NSHDSACASA-N -1 1 422.432 4.139 20 0 HIADMM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000435814131 861078352 /nfs/dbraw/zinc/07/83/52/861078352.db2.gz QKBFVNIUWMZNAN-JTQLQIEISA-N -1 1 423.304 4.161 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)c1cncc(F)c1 ZINC000438039791 863399020 /nfs/dbraw/zinc/39/90/20/863399020.db2.gz QWWZFRMYFKKACH-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM C[C@@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)C1(F)F ZINC000438047554 863411036 /nfs/dbraw/zinc/41/10/36/863411036.db2.gz DCGCAKNVXOMKMZ-PSLIRLAXSA-N -1 1 418.824 4.120 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)[C@H]1C[C@H]1C1CC1 ZINC000438066648 863442589 /nfs/dbraw/zinc/44/25/89/863442589.db2.gz RFNZYKALZGUQLO-HOTGVXAUSA-N -1 1 408.882 4.265 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000438235430 863679928 /nfs/dbraw/zinc/67/99/28/863679928.db2.gz OASQWKBRLNAHTO-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000438243651 863703246 /nfs/dbraw/zinc/70/32/46/863703246.db2.gz ABRAWAVLEOZYBY-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)cc2)o1 ZINC000438725740 864206238 /nfs/dbraw/zinc/20/62/38/864206238.db2.gz PCJXSRHIUKRTJN-UHFFFAOYSA-N -1 1 410.455 4.063 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000438754177 864245459 /nfs/dbraw/zinc/24/54/59/864245459.db2.gz CETWJTYYFZKSRK-UHFFFAOYSA-N -1 1 424.238 4.415 20 0 HIADMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)ccc2n1 ZINC000438760556 864254194 /nfs/dbraw/zinc/25/41/94/864254194.db2.gz XECOISYMGNAHLY-UHFFFAOYSA-N -1 1 413.421 4.359 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O[C@H](C)c3ccccc3)cc2C)c[nH]1 ZINC000438760509 864254537 /nfs/dbraw/zinc/25/45/37/864254537.db2.gz WQIWKCIWEVZFHT-OAHLLOKOSA-N -1 1 414.483 4.051 20 0 HIADMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1 ZINC000438765987 864261328 /nfs/dbraw/zinc/26/13/28/864261328.db2.gz QGZTZJBEWZXHIV-UHFFFAOYSA-N -1 1 404.326 4.295 20 0 HIADMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000438774316 864269339 /nfs/dbraw/zinc/26/93/39/864269339.db2.gz RKRXHBBAEXQEJW-VWLOTQADSA-N -1 1 408.570 4.132 20 0 HIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)c2)n1 ZINC000438778029 864272380 /nfs/dbraw/zinc/27/23/80/864272380.db2.gz LKAQYVXCGOYJEM-UHFFFAOYSA-N -1 1 422.279 4.154 20 0 HIADMM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000438787532 864280024 /nfs/dbraw/zinc/28/00/24/864280024.db2.gz SPDZNDWLMLETEI-UHFFFAOYSA-N -1 1 417.556 4.096 20 0 HIADMM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000438805498 864296302 /nfs/dbraw/zinc/29/63/02/864296302.db2.gz MTZYIGPMBSOSMO-UHFFFAOYSA-N -1 1 419.543 4.268 20 0 HIADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1C ZINC000438808183 864299395 /nfs/dbraw/zinc/29/93/95/864299395.db2.gz TZFKWSMBHKKXBS-UHFFFAOYSA-N -1 1 417.556 4.063 20 0 HIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)c2)n1 ZINC000438810123 864300176 /nfs/dbraw/zinc/30/01/76/864300176.db2.gz XIYRWCXVSAPMBT-UHFFFAOYSA-N -1 1 424.295 4.192 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)ccc1Cl ZINC000438810045 864301014 /nfs/dbraw/zinc/30/10/14/864301014.db2.gz WQRKVDXAOJQTMW-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC3CC3)ccc2C)cc1 ZINC000438834950 864329205 /nfs/dbraw/zinc/32/92/05/864329205.db2.gz BIJVULDYKXXMRF-HNNXBMFYSA-N -1 1 400.544 4.449 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)c1nc(Cc2ccccc2)no1 ZINC000438960419 864430244 /nfs/dbraw/zinc/43/02/44/864430244.db2.gz HIUHCWBOEMFQGS-ZDUSSCGKSA-N -1 1 405.545 4.059 20 0 HIADMM C[C@@H](N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1(C)CC1 ZINC000439017789 864469554 /nfs/dbraw/zinc/46/95/54/864469554.db2.gz CPGODLICZSPSKV-CQSZACIVSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)cc1 ZINC000439018059 864470070 /nfs/dbraw/zinc/47/00/70/864470070.db2.gz ASYLWCZQQHOQFO-OAHLLOKOSA-N -1 1 404.507 4.196 20 0 HIADMM C[C@H](N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1(C)CC1 ZINC000439024200 864479143 /nfs/dbraw/zinc/47/91/43/864479143.db2.gz SOTRGRXRLXYFMO-AWEZNQCLSA-N -1 1 406.935 4.401 20 0 HIADMM CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000439072091 864525176 /nfs/dbraw/zinc/52/51/76/864525176.db2.gz QEXQZWYDRCUSKG-UHFFFAOYSA-N -1 1 406.486 4.338 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c(=O)[n-]1 ZINC000439178332 864605716 /nfs/dbraw/zinc/60/57/16/864605716.db2.gz OCUAPGMAJGRAPJ-LJQANCHMSA-N -1 1 413.587 4.407 20 0 HIADMM CC[C@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3F)n2)on1 ZINC000439243719 864661530 /nfs/dbraw/zinc/66/15/30/864661530.db2.gz FPQDWVMXMGRXPP-QMMMGPOBSA-N -1 1 408.231 4.127 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)cc1Cl ZINC000467934307 881807299 /nfs/dbraw/zinc/80/72/99/881807299.db2.gz XSMPBRIVYWAYGD-UHFFFAOYSA-N -1 1 405.863 4.063 20 0 HIADMM COc1ccc(Sc2nsc([N-]C(=O)c3sc([C@@H](C)OC)nc3C)n2)cc1 ZINC000439758175 865084942 /nfs/dbraw/zinc/08/49/42/865084942.db2.gz IBVUBEBKVGHDMI-SNVBAGLBSA-N -1 1 422.557 4.423 20 0 HIADMM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)O1 ZINC000440366731 865649283 /nfs/dbraw/zinc/64/92/83/865649283.db2.gz MCGVWPYWBMVIMM-RDTXWAMCSA-N -1 1 422.934 4.427 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)CC[C@H]3C)ccc2C)cc1 ZINC000440404347 865695349 /nfs/dbraw/zinc/69/53/49/865695349.db2.gz FWCRSPZPIIXUFN-FUHWJXTLSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCC(F)(F)F)cc2)cc1C ZINC000440540736 865810953 /nfs/dbraw/zinc/81/09/53/865810953.db2.gz PAISOOXFHGXWEG-UHFFFAOYSA-N -1 1 414.449 4.177 20 0 HIADMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)n1 ZINC000441711687 866816429 /nfs/dbraw/zinc/81/64/29/866816429.db2.gz CGQFYYHCGKKHKM-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2OCCc3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000442025796 867073285 /nfs/dbraw/zinc/07/32/85/867073285.db2.gz GHQZIIRDODWJLK-JOCHJYFZSA-N -1 1 422.506 4.048 20 0 HIADMM CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000442205359 867227078 /nfs/dbraw/zinc/22/70/78/867227078.db2.gz XDRIWTZQJBXFPI-UHFFFAOYSA-N -1 1 411.911 4.076 20 0 HIADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2)cc1 ZINC000442211155 867233983 /nfs/dbraw/zinc/23/39/83/867233983.db2.gz CTRQRRAKJBQHIE-UHFFFAOYSA-N -1 1 413.474 4.072 20 0 HIADMM O=S(=O)([N-]c1cc(Br)ccc1Cl)c1cnccc1C(F)(F)F ZINC000442817776 867686047 /nfs/dbraw/zinc/68/60/47/867686047.db2.gz YSGMUWWIMGAOAB-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3-c3ccccc3)ccc21 ZINC000442840859 867694870 /nfs/dbraw/zinc/69/48/70/867694870.db2.gz MHDFSDYHTQBEBW-UHFFFAOYSA-N -1 1 414.870 4.253 20 0 HIADMM COc1cc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)cc(Cl)c1[O-] ZINC000442860652 867702362 /nfs/dbraw/zinc/70/23/62/867702362.db2.gz CIQZLVXNMWCCNP-CYBMUJFWSA-N -1 1 409.313 4.227 20 0 HIADMM COCc1c(Br)cccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442966064 867768076 /nfs/dbraw/zinc/76/80/76/867768076.db2.gz LGZYFXXRGJNEOY-UHFFFAOYSA-N -1 1 400.656 4.215 20 0 HIADMM O=c1nc(Cc2cccc(Br)c2[O-])[nH]c2sc3c(c21)CCCS3 ZINC000443052562 867803659 /nfs/dbraw/zinc/80/36/59/867803659.db2.gz UUYDZBQLJCEUSK-UHFFFAOYSA-N -1 1 409.330 4.494 20 0 HIADMM COc1cc(C(=O)Nc2cccc3c2CN(c2nccs2)C3)cc(Cl)c1[O-] ZINC000443061856 867806627 /nfs/dbraw/zinc/80/66/27/867806627.db2.gz WCQUMEDZUXWOHN-UHFFFAOYSA-N -1 1 401.875 4.283 20 0 HIADMM COC(=O)[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccc(Cl)cc1Cl ZINC000443125317 867831406 /nfs/dbraw/zinc/83/14/06/867831406.db2.gz FDCFTAQYVSKYFE-CQSZACIVSA-N -1 1 418.660 4.005 20 0 HIADMM COc1cc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc(Cl)c1[O-] ZINC000443137771 867836178 /nfs/dbraw/zinc/83/61/78/867836178.db2.gz ZKIBNAYKIWKLAW-MRXNPFEDSA-N -1 1 415.795 4.287 20 0 HIADMM COc1cc(-c2nc(Cc3cc(Cl)c4c(c3)OCCO4)no2)cc(Cl)c1[O-] ZINC000443211611 867876276 /nfs/dbraw/zinc/87/62/76/867876276.db2.gz FREFGJXNBWWOPZ-UHFFFAOYSA-N -1 1 409.225 4.120 20 0 HIADMM COc1ccc(Cc2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)cc1OC(F)F ZINC000443223814 867882355 /nfs/dbraw/zinc/88/23/55/867882355.db2.gz KXZNCOKITVQOJU-UHFFFAOYSA-N -1 1 412.776 4.305 20 0 HIADMM COCc1nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(-c2ccccc2)s1 ZINC000443303641 867896152 /nfs/dbraw/zinc/89/61/52/867896152.db2.gz DJDOCCIECJJYHB-UHFFFAOYSA-N -1 1 406.467 4.305 20 0 HIADMM COc1cc(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000443320030 867903130 /nfs/dbraw/zinc/90/31/30/867903130.db2.gz NDAIVPFJXWEHEE-SNVBAGLBSA-N -1 1 403.784 4.486 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000443398532 867957571 /nfs/dbraw/zinc/95/75/71/867957571.db2.gz IPWDHAYIRXSOBS-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cc(F)c(OC(F)F)cc3F)c2O1 ZINC000443405617 867985882 /nfs/dbraw/zinc/98/58/82/867985882.db2.gz BNVKUTNWDJYTKT-UHFFFAOYSA-N -1 1 405.369 4.081 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(-c4noc(C)n4)c3)c2)n1 ZINC000443407915 867989267 /nfs/dbraw/zinc/98/92/67/867989267.db2.gz RJEIDNHNSDPYKP-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM CC(C)N1CCc2nc(/C=C/c3nc(-c4ccccc4)ncc3C(=O)[O-])sc2C1 ZINC000443445657 868032931 /nfs/dbraw/zinc/03/29/31/868032931.db2.gz RKCPKICSXCNUNH-CMDGGOBGSA-N -1 1 406.511 4.235 20 0 HIADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(Br)c(Cl)c3)cc21 ZINC000443450146 868037171 /nfs/dbraw/zinc/03/71/71/868037171.db2.gz DXJBVQLKKNRJTG-UHFFFAOYSA-N -1 1 414.708 4.422 20 0 HIADMM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccccc2SC(C)C)ccc1OC ZINC000443462175 868052811 /nfs/dbraw/zinc/05/28/11/868052811.db2.gz GLFIEXWQVRFGLA-UHFFFAOYSA-N -1 1 422.572 4.023 20 0 HIADMM O=c1cc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c2ccccc2[nH]1 ZINC000443466715 868055845 /nfs/dbraw/zinc/05/58/45/868055845.db2.gz PUPHRPYSPWZBGY-UHFFFAOYSA-N -1 1 417.701 4.379 20 0 HIADMM C[C@H]1CCC[C@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000443554021 868108881 /nfs/dbraw/zinc/10/88/81/868108881.db2.gz SDCCEPGRNSWFRN-HKUYNNGSSA-N -1 1 415.559 4.255 20 0 HIADMM CC[C@]1(C)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC000468262330 882177305 /nfs/dbraw/zinc/17/73/05/882177305.db2.gz SGEDZLUMAGURQV-OAQYLSRUSA-N -1 1 404.507 4.197 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)c2nc3ccc(Cl)cc3s2)c(=O)[n-]1 ZINC000443862318 868394768 /nfs/dbraw/zinc/39/47/68/868394768.db2.gz UKSSMTSVJVUKSA-UHFFFAOYSA-N -1 1 408.936 4.071 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)ns1 ZINC000443918783 868454238 /nfs/dbraw/zinc/45/42/38/868454238.db2.gz LXOWZWVSLIWDDE-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM COc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)ccc1F ZINC000444319176 868747845 /nfs/dbraw/zinc/74/78/45/868747845.db2.gz PBGCNPLLZPIXSJ-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000444378646 868801221 /nfs/dbraw/zinc/80/12/21/868801221.db2.gz JRILGKWNPDIFBP-MRXNPFEDSA-N -1 1 422.497 4.274 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC23CCC3)cc1 ZINC000444617289 868908947 /nfs/dbraw/zinc/90/89/47/868908947.db2.gz QLHQYKHXTFSAEY-UHFFFAOYSA-N -1 1 402.491 4.094 20 0 HIADMM CCOc1cc(-c2nc(CC(=O)Nc3c(C)cccc3C)no2)cc(Cl)c1[O-] ZINC000445327628 869388594 /nfs/dbraw/zinc/38/85/94/869388594.db2.gz HDMBNCXTTNGQJH-UHFFFAOYSA-N -1 1 401.850 4.292 20 0 HIADMM COc1cc(-c2noc(C(F)(F)c3ccccc3F)n2)cc(Br)c1[O-] ZINC000445389933 869475921 /nfs/dbraw/zinc/47/59/21/869475921.db2.gz FXIBCYJZWQDWQK-UHFFFAOYSA-N -1 1 415.165 4.493 20 0 HIADMM COc1cc(-c2noc(CCOc3ccc(C)cc3C)n2)cc(Br)c1[O-] ZINC000445393480 869478800 /nfs/dbraw/zinc/47/88/00/869478800.db2.gz PCDYYVGQYSZXKL-UHFFFAOYSA-N -1 1 419.275 4.452 20 0 HIADMM COc1cc(-c2noc([C@@H](C)Sc3ccccn3)n2)cc(Br)c1[O-] ZINC000445396352 869481803 /nfs/dbraw/zinc/48/18/03/869481803.db2.gz WZNWFLHHNRNLRW-SECBINFHSA-N -1 1 408.277 4.462 20 0 HIADMM COc1cc(-c2noc(C3(Cc4ccccc4)CC3)n2)cc(Br)c1[O-] ZINC000445397429 869482898 /nfs/dbraw/zinc/48/28/98/869482898.db2.gz HVHHUQFVMFRKHI-UHFFFAOYSA-N -1 1 401.260 4.488 20 0 HIADMM COc1cc(-c2noc(CCC(=O)c3cccc(F)c3)n2)cc(Br)c1[O-] ZINC000445398018 869483870 /nfs/dbraw/zinc/48/38/70/869483870.db2.gz OVDSJCGTAQCOAB-UHFFFAOYSA-N -1 1 421.222 4.168 20 0 HIADMM [O-]c1ccc(F)cc1-c1nc(C2(c3cccc(Br)c3)CCOCC2)no1 ZINC000445404043 869488157 /nfs/dbraw/zinc/48/81/57/869488157.db2.gz PCXUSQZGJPPYBF-UHFFFAOYSA-N -1 1 419.250 4.440 20 0 HIADMM CCOc1cc(-c2noc(CN(CCc3ccccc3)C(C)=O)n2)cc(Cl)c1[O-] ZINC000445411495 869494674 /nfs/dbraw/zinc/49/46/74/869494674.db2.gz JWLXUNNTJDYOBT-UHFFFAOYSA-N -1 1 415.877 4.086 20 0 HIADMM CCOc1cc(-c2noc(CCN(Cc3ccccc3)C(C)=O)n2)cc(Cl)c1[O-] ZINC000445412219 869495683 /nfs/dbraw/zinc/49/56/83/869495683.db2.gz MMTBFHAPTSWKSR-UHFFFAOYSA-N -1 1 415.877 4.086 20 0 HIADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)[nH]n1 ZINC000468365721 882307659 /nfs/dbraw/zinc/30/76/59/882307659.db2.gz YQHCUNKWDVXGRX-STQMWFEESA-N -1 1 415.943 4.181 20 0 HIADMM CCOc1cc(-c2noc(CCc3cc(OC)cc(OC)c3)n2)cc(Cl)c1[O-] ZINC000445429500 869513261 /nfs/dbraw/zinc/51/32/61/869513261.db2.gz ADQJEWOESRFIDE-UHFFFAOYSA-N -1 1 404.850 4.297 20 0 HIADMM O=C(NCCCCCc1nc(-c2ccc([O-])cc2Cl)no1)NC1CCCCC1 ZINC000445442834 869525107 /nfs/dbraw/zinc/52/51/07/869525107.db2.gz AQPDOPLWCGIKNZ-UHFFFAOYSA-N -1 1 406.914 4.440 20 0 HIADMM O=S(=O)(Cc1ccccc1)c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445455601 869533643 /nfs/dbraw/zinc/53/36/43/869533643.db2.gz LHEGPFTZXJMLGN-UHFFFAOYSA-N -1 1 410.426 4.222 20 0 HIADMM Cc1ccc(-n2cnnc2SCc2nc(-c3ccc([O-])cc3F)no2)cc1Cl ZINC000445456634 869534573 /nfs/dbraw/zinc/53/45/73/869534573.db2.gz PAGBPUMMFAVBNB-UHFFFAOYSA-N -1 1 417.853 4.416 20 0 HIADMM CN(Cc1ccccc1)C(=O)N1CCC(c2nc(-c3ccc([O-])cc3F)no2)CC1 ZINC000445461746 869538449 /nfs/dbraw/zinc/53/84/49/869538449.db2.gz HZSSAKHJXRKNFI-UHFFFAOYSA-N -1 1 410.449 4.013 20 0 HIADMM CCn1c(SCc2nc(-c3ccc([O-])cc3F)no2)nnc1-c1cccs1 ZINC000445464691 869540786 /nfs/dbraw/zinc/54/07/86/869540786.db2.gz VOUWNHVECOXJAE-UHFFFAOYSA-N -1 1 403.464 4.214 20 0 HIADMM O=C(N[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1)c1ccccc1 ZINC000445483100 869554775 /nfs/dbraw/zinc/55/47/75/869554775.db2.gz VHJNIBPXTRPTJM-LJQANCHMSA-N -1 1 403.413 4.295 20 0 HIADMM [O-]c1ccc(-c2noc(-c3cccc(OCc4cn5ccccc5n4)c3)n2)cc1F ZINC000445484204 869555947 /nfs/dbraw/zinc/55/59/47/869555947.db2.gz XXFSEJICGVTCPX-UHFFFAOYSA-N -1 1 402.385 4.475 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc([C@@H]4CCCOC4)no3)cc2)c1C ZINC000445530504 869586476 /nfs/dbraw/zinc/58/64/76/869586476.db2.gz ABPNEEJEIDXRJM-QGZVFWFLSA-N -1 1 413.499 4.048 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccc4cc[nH]c4n3)no2)cc1)c1ccccc1 ZINC000445582300 869642735 /nfs/dbraw/zinc/64/27/35/869642735.db2.gz DLAHDMAGJDWCII-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(-c4cncs4)no3)c2)c1 ZINC000445590378 869652416 /nfs/dbraw/zinc/65/24/16/869652416.db2.gz FRETYMVLCRQEMC-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM CCSc1ccc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)cc1 ZINC000445734255 869789354 /nfs/dbraw/zinc/78/93/54/869789354.db2.gz RMNHRMFSIIRKPJ-UHFFFAOYSA-N -1 1 405.483 4.305 20 0 HIADMM C[C@@H](NC(=O)Cc1noc(-c2ccc([O-])cc2F)n1)c1ccc(Cl)cc1Cl ZINC000445749239 869799191 /nfs/dbraw/zinc/79/91/91/869799191.db2.gz LCLDELAUORCUGL-SECBINFHSA-N -1 1 410.232 4.308 20 0 HIADMM CCOc1cc(-c2nc(CC(=O)N(CC)Cc3ccccc3)no2)cc(Cl)c1[O-] ZINC000445781366 869820918 /nfs/dbraw/zinc/82/09/18/869820918.db2.gz FWVNTUPQHDFEPL-UHFFFAOYSA-N -1 1 415.877 4.086 20 0 HIADMM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)n2)c(C)o1 ZINC000445831705 869850814 /nfs/dbraw/zinc/85/08/14/869850814.db2.gz CNHKHVCGGWCVMK-SNVBAGLBSA-N -1 1 415.393 4.005 20 0 HIADMM COc1c(F)ccc(F)c1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000445850926 869857764 /nfs/dbraw/zinc/85/77/64/869857764.db2.gz WXKTVGDTHIHJGZ-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C(C)C)C3)cc2)c1C ZINC000446518490 870436174 /nfs/dbraw/zinc/43/61/74/870436174.db2.gz QCQUXNRUEWNFCU-IBGZPJMESA-N -1 1 400.544 4.222 20 0 HIADMM CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000446624155 870527299 /nfs/dbraw/zinc/52/72/99/870527299.db2.gz NKRRBMPBSVMGKF-UHFFFAOYSA-N -1 1 424.544 4.283 20 0 HIADMM Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000446636358 870543789 /nfs/dbraw/zinc/54/37/89/870543789.db2.gz DKBOJHVRFDWWAJ-UHFFFAOYSA-N -1 1 419.528 4.039 20 0 HIADMM CCC1(CC)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000446692254 870606990 /nfs/dbraw/zinc/60/69/90/870606990.db2.gz QPXAOKBQHQMUCO-UHFFFAOYSA-N -1 1 400.544 4.448 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)cc1F ZINC000446783420 870700134 /nfs/dbraw/zinc/70/01/34/870700134.db2.gz FTVQIUCXEWXHSW-HNNXBMFYSA-N -1 1 420.506 4.100 20 0 HIADMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000446853880 870774841 /nfs/dbraw/zinc/77/48/41/870774841.db2.gz SYSYWPWUVKSEBR-UHFFFAOYSA-N -1 1 415.183 4.090 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC2(C1)CCCCC2 ZINC000503235104 912215011 /nfs/dbraw/zinc/21/50/11/912215011.db2.gz XOZKTAWMCPDSQQ-UHFFFAOYSA-N -1 1 416.518 4.341 20 0 HIADMM C[C@@H](Oc1cccc(Cl)c1)c1nnc([N-]Cc2nc3c(s2)C[C@H](C)CC3)o1 ZINC000446881810 870801853 /nfs/dbraw/zinc/80/18/53/870801853.db2.gz VTDNZLLINQIMHA-VXGBXAGGSA-N -1 1 404.923 5.056 20 0 HIADMM C[C@H](Oc1cccc(Cl)c1)c1nnc([N-]Cc2nc3c(s2)C[C@H](C)CC3)o1 ZINC000446881807 870802097 /nfs/dbraw/zinc/80/20/97/870802097.db2.gz VTDNZLLINQIMHA-NEPJUHHUSA-N -1 1 404.923 5.056 20 0 HIADMM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000447069788 870948787 /nfs/dbraw/zinc/94/87/87/870948787.db2.gz XIAAWZMDOLJELI-ZDUSSCGKSA-N -1 1 409.267 4.008 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)c1nc(C2CC2)no1 ZINC000447191058 871083473 /nfs/dbraw/zinc/08/34/73/871083473.db2.gz HAETWIYWRPFZOZ-KRWDZBQOSA-N -1 1 405.907 4.429 20 0 HIADMM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1c(Cl)cc(Cl)cc1Cl ZINC000447259308 871138262 /nfs/dbraw/zinc/13/82/62/871138262.db2.gz UVLBKMBQWKJBJH-UHFFFAOYSA-N -1 1 421.668 4.372 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)cc1 ZINC000447265486 871147566 /nfs/dbraw/zinc/14/75/66/871147566.db2.gz RRWBPISHXLHASS-UHFFFAOYSA-N -1 1 415.446 4.162 20 0 HIADMM O=S(=O)([N-]c1ccc(C2CCC2)cc1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000447274372 871164382 /nfs/dbraw/zinc/16/43/82/871164382.db2.gz LENAATGDUJBIEU-HNNXBMFYSA-N -1 1 405.491 4.309 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C(F)(F)F)n3)c2)cc1 ZINC000447280450 871172297 /nfs/dbraw/zinc/17/22/97/871172297.db2.gz WPKOLYVNVPYNRR-UHFFFAOYSA-N -1 1 415.418 4.278 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)c(C)c1F ZINC000447280947 871175779 /nfs/dbraw/zinc/17/57/79/871175779.db2.gz YMBDTCOAPYXCNS-UHFFFAOYSA-N -1 1 406.410 4.270 20 0 HIADMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000447342934 871243197 /nfs/dbraw/zinc/24/31/97/871243197.db2.gz LINDMDKNRPOMJC-CYBMUJFWSA-N -1 1 418.902 4.267 20 0 HIADMM O=c1c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cccn1Cc1ccccc1 ZINC000447400689 871312095 /nfs/dbraw/zinc/31/20/95/871312095.db2.gz QYWYCMFMIUEEIO-UHFFFAOYSA-N -1 1 415.323 4.066 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCSC(C)(C)CC3)c2)cc1 ZINC000447639962 871557277 /nfs/dbraw/zinc/55/72/77/871557277.db2.gz PEDDAPKNQMDZKS-UHFFFAOYSA-N -1 1 418.584 4.154 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1OC ZINC000447783687 871714259 /nfs/dbraw/zinc/71/42/59/871714259.db2.gz TYHBUOMIGLRANL-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)c1nc(C2CCCCC2)no1 ZINC000447876487 871796905 /nfs/dbraw/zinc/79/69/05/871796905.db2.gz DQGBWAWSJPIXJE-JTQLQIEISA-N -1 1 421.416 4.315 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)c1 ZINC000448050495 871881521 /nfs/dbraw/zinc/88/15/21/871881521.db2.gz UWQALTZGFBGYDV-UHFFFAOYSA-N -1 1 412.467 4.234 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)c1 ZINC000448114128 871966319 /nfs/dbraw/zinc/96/63/19/871966319.db2.gz PVPVFYUAKIJXMO-UHFFFAOYSA-N -1 1 409.511 4.280 20 0 HIADMM CCCCn1ncc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1C ZINC000448417230 872372633 /nfs/dbraw/zinc/37/26/33/872372633.db2.gz MBENEAMBNGHAJB-UHFFFAOYSA-N -1 1 412.515 4.045 20 0 HIADMM Cc1cccc(CS(=O)(=O)[N-]c2noc(-c3ccccc3)c2Br)c1 ZINC000448536319 872535847 /nfs/dbraw/zinc/53/58/47/872535847.db2.gz DZCAHFNEDBHPJR-UHFFFAOYSA-N -1 1 407.289 4.354 20 0 HIADMM COc1cc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)cc(Cl)c1[O-] ZINC000460213413 872798857 /nfs/dbraw/zinc/79/88/57/872798857.db2.gz VHIQAQLNOFZIOY-UHFFFAOYSA-N -1 1 412.829 4.198 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000468584991 882665084 /nfs/dbraw/zinc/66/50/84/882665084.db2.gz AJHGGDFSBVYNML-UHFFFAOYSA-N -1 1 406.507 4.318 20 0 HIADMM CCCC[C@H](C)N(C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000460359510 872987363 /nfs/dbraw/zinc/98/73/63/872987363.db2.gz GJAWVKXDDXZAAD-INIZCTEOSA-N -1 1 421.538 4.347 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)cc(OC)c1 ZINC000460420228 873078572 /nfs/dbraw/zinc/07/85/72/873078572.db2.gz BWEPBIUUQBVAKO-UHFFFAOYSA-N -1 1 423.437 4.302 20 0 HIADMM Cc1ccc(NC(=O)NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1C ZINC000460429183 873093110 /nfs/dbraw/zinc/09/31/10/873093110.db2.gz QETIUSKWRLRTGC-UHFFFAOYSA-N -1 1 422.510 4.215 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCc3c2cccc3-c2ccccc2)c1 ZINC000468600339 882697147 /nfs/dbraw/zinc/69/71/47/882697147.db2.gz WCMLHHOODOZURG-UHFFFAOYSA-N -1 1 406.507 4.236 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c(=O)[n-]1 ZINC000460555045 873271501 /nfs/dbraw/zinc/27/15/01/873271501.db2.gz PHIIVHULUZDHCN-LIXBPZJASA-N -1 1 405.951 4.312 20 0 HIADMM CCCc1ncc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000460787745 873646723 /nfs/dbraw/zinc/64/67/23/873646723.db2.gz RWXTUWUQPTWFEF-UHFFFAOYSA-N -1 1 419.503 4.288 20 0 HIADMM COC1(c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)n2)CCCC1 ZINC000460807751 873684248 /nfs/dbraw/zinc/68/42/48/873684248.db2.gz GAXAPNHLKWZETQ-UHFFFAOYSA-N -1 1 413.499 4.262 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCC2)cc1 ZINC000460812965 873692746 /nfs/dbraw/zinc/69/27/46/873692746.db2.gz DAWIRCNMOMQCCS-UHFFFAOYSA-N -1 1 400.544 4.457 20 0 HIADMM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460825195 873708053 /nfs/dbraw/zinc/70/80/53/873708053.db2.gz SCFSDLLZLKNDSK-UHFFFAOYSA-N -1 1 413.499 4.334 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(Cl)c1Cl ZINC000460832016 873718571 /nfs/dbraw/zinc/71/85/71/873718571.db2.gz WFUOTYFOWLSKOO-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1 ZINC000460831506 873719351 /nfs/dbraw/zinc/71/93/51/873719351.db2.gz WAZRHIJMJMKKCT-UHFFFAOYSA-N -1 1 410.495 4.049 20 0 HIADMM Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000460834960 873722897 /nfs/dbraw/zinc/72/28/97/873722897.db2.gz IMMCFKWWAIRFON-UHFFFAOYSA-N -1 1 422.572 4.215 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc(C)c1F ZINC000460835929 873723614 /nfs/dbraw/zinc/72/36/14/873723614.db2.gz IGBZXBIMEBNNST-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2Oc2ccccc2)cc1 ZINC000460839974 873729487 /nfs/dbraw/zinc/72/94/87/873729487.db2.gz YVGRWSPKKRIPGF-UHFFFAOYSA-N -1 1 414.458 4.402 20 0 HIADMM Cc1cc(C(=O)N2CCSCC2)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460842066 873731210 /nfs/dbraw/zinc/73/12/10/873731210.db2.gz WOLZCGVHYLHXGR-UHFFFAOYSA-N -1 1 418.584 4.108 20 0 HIADMM CC(C)S(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460842233 873731465 /nfs/dbraw/zinc/73/14/65/873731465.db2.gz JWVKHOILCFTQNN-UHFFFAOYSA-N -1 1 409.573 4.108 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)CC(F)(F)F)c1 ZINC000468631635 882760817 /nfs/dbraw/zinc/76/08/17/882760817.db2.gz MNZXHUDWOYXWQY-CQSZACIVSA-N -1 1 414.449 4.175 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)CC(F)(F)F)c2)c1 ZINC000468634635 882766627 /nfs/dbraw/zinc/76/66/27/882766627.db2.gz GVMSAJARZWGLAS-AWEZNQCLSA-N -1 1 414.449 4.175 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460982546 873873131 /nfs/dbraw/zinc/87/31/31/873873131.db2.gz XZZHOXBJFLGEIP-FQEVSTJZSA-N -1 1 414.502 4.031 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4c3cccc4F)c2)cc1 ZINC000461074577 873971503 /nfs/dbraw/zinc/97/15/03/873971503.db2.gz LRDOTDZPYFXRLW-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000461151910 874099634 /nfs/dbraw/zinc/09/96/34/874099634.db2.gz IGCKMMZDZDSZKZ-QGZVFWFLSA-N -1 1 418.559 4.038 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000461187491 874180562 /nfs/dbraw/zinc/18/05/62/874180562.db2.gz FHTMLDPMYLNGCA-KRWDZBQOSA-N -1 1 418.559 4.038 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000461198037 874198530 /nfs/dbraw/zinc/19/85/30/874198530.db2.gz QYMHXUWGTMCKKQ-NRFANRHFSA-N -1 1 410.539 4.201 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C4CC4)ccn3)cc2)cc1 ZINC000461457775 874518155 /nfs/dbraw/zinc/51/81/55/874518155.db2.gz RGKMLNUGFDKIQR-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM COc1cc2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)[n-]c(=O)c2cc1OC ZINC000461742344 874886472 /nfs/dbraw/zinc/88/64/72/874886472.db2.gz WWBQQUCZBRHSGL-UHFFFAOYSA-N -1 1 405.439 4.019 20 0 HIADMM Cc1sccc1CC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468862089 882894719 /nfs/dbraw/zinc/89/47/19/882894719.db2.gz GRQPPESBBBMKBC-UHFFFAOYSA-N -1 1 414.552 4.058 20 0 HIADMM Cc1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)o1 ZINC000462057115 875170720 /nfs/dbraw/zinc/17/07/20/875170720.db2.gz MJJLZOKDHDAPQP-UHFFFAOYSA-N -1 1 419.890 4.306 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)c1ccc(C)cc1 ZINC000462156579 875252601 /nfs/dbraw/zinc/25/26/01/875252601.db2.gz MNFFVKFFCFKOCV-CQSZACIVSA-N -1 1 416.877 4.315 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(CC(C)C)C3CC3)cc2)c1 ZINC000462199960 875308683 /nfs/dbraw/zinc/30/86/83/875308683.db2.gz QIHZVIKGLQERNF-UHFFFAOYSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)ccc1-c1ccccc1 ZINC000462364308 875476920 /nfs/dbraw/zinc/47/69/20/875476920.db2.gz HMEXTKDXDORNLN-UHFFFAOYSA-N -1 1 418.518 4.298 20 0 HIADMM COc1cc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)ccc1OC1CCCC1 ZINC000462374949 875485619 /nfs/dbraw/zinc/48/56/19/875485619.db2.gz IURGNFSFIFVWOL-UHFFFAOYSA-N -1 1 420.513 4.803 20 0 HIADMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)cc1 ZINC000462411598 875519184 /nfs/dbraw/zinc/51/91/84/875519184.db2.gz WKEDCOKBJZOJKL-JTQLQIEISA-N -1 1 400.736 4.374 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccc(-c4ccc5c(c4)CCO5)cc3)nc2)[n-]c(=O)c1C ZINC000462796139 875845656 /nfs/dbraw/zinc/84/56/56/875845656.db2.gz JQNROXWFOALEGH-UHFFFAOYSA-N -1 1 424.504 5.075 20 0 HIADMM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000463234872 876289565 /nfs/dbraw/zinc/28/95/65/876289565.db2.gz BBBXJURYQVJZRO-JTQLQIEISA-N -1 1 406.813 4.278 20 0 HIADMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000463239629 876296976 /nfs/dbraw/zinc/29/69/76/876296976.db2.gz YMKQJYJYQHOFOQ-SNVBAGLBSA-N -1 1 406.813 4.278 20 0 HIADMM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c3ccccc3)c1)C2 ZINC000463374194 876429840 /nfs/dbraw/zinc/42/98/40/876429840.db2.gz CRDIHPZYKOLHHN-QFIPXVFZSA-N -1 1 422.506 4.046 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2C)cc1Cl ZINC000463516967 876583065 /nfs/dbraw/zinc/58/30/65/876583065.db2.gz UKZXRVBWGXHTAM-UHFFFAOYSA-N -1 1 412.964 4.309 20 0 HIADMM O=S(=O)([N-]Cc1ccc(Oc2ccc(F)cc2)nc1)c1c(F)cccc1Cl ZINC000463698319 876817743 /nfs/dbraw/zinc/81/77/43/876817743.db2.gz MGDSTNZAFAUCDM-UHFFFAOYSA-N -1 1 410.829 4.284 20 0 HIADMM CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000469002275 883069841 /nfs/dbraw/zinc/06/98/41/883069841.db2.gz PVAKVEBIPHWJCE-UHFFFAOYSA-N -1 1 400.422 4.358 20 0 HIADMM CCc1cnc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)s1 ZINC000464085454 877236936 /nfs/dbraw/zinc/23/69/36/877236936.db2.gz QAKSKEBCYSWBBM-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CC(C)([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000464223314 877396136 /nfs/dbraw/zinc/39/61/36/877396136.db2.gz KVZLBQOHVHUYGZ-UHFFFAOYSA-N -1 1 402.822 4.168 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)CCc2cccs2)cc1 ZINC000464355012 877549085 /nfs/dbraw/zinc/54/90/85/877549085.db2.gz KYRDBYUGZJWUKI-UHFFFAOYSA-N -1 1 414.552 4.172 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1Cl ZINC000464407828 877611093 /nfs/dbraw/zinc/61/10/93/877611093.db2.gz HUJRYXZQADPXFT-UHFFFAOYSA-N -1 1 407.742 4.329 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H]1c1ccccc1 ZINC000464559343 877776696 /nfs/dbraw/zinc/77/66/96/877776696.db2.gz JOIYVCBOTGBXIU-KSFYIVLOSA-N -1 1 424.497 4.460 20 0 HIADMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000464647883 877867526 /nfs/dbraw/zinc/86/75/26/877867526.db2.gz CFCIAZSIBKNUCG-UHFFFAOYSA-N -1 1 406.204 4.391 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000464697397 877913498 /nfs/dbraw/zinc/91/34/98/877913498.db2.gz APCLSEFGNYMVTB-QGZVFWFLSA-N -1 1 420.600 4.366 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000464699432 877916095 /nfs/dbraw/zinc/91/60/95/877916095.db2.gz MQAQTDBLCIKQFX-INIZCTEOSA-N -1 1 406.573 4.057 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@@H]3CC)c2)cc1 ZINC000465290696 878728235 /nfs/dbraw/zinc/72/82/35/878728235.db2.gz IRGZNUMPYMCDJK-APWZRJJASA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000465291311 878729716 /nfs/dbraw/zinc/72/97/16/878729716.db2.gz MCIWVQNNUNKCMD-LPHOPBHVSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1nc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)s1 ZINC000465387922 878827921 /nfs/dbraw/zinc/82/79/21/878827921.db2.gz KSDDFTMWXLPZBJ-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM C[C@@H]1CCC[C@H](C)N(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000465846296 879487143 /nfs/dbraw/zinc/48/71/43/879487143.db2.gz WJPVZWHTSVPUQL-MSOLQXFVSA-N -1 1 415.559 4.208 20 0 HIADMM O=C(N[C@H]1CCCc2sccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000466507062 880282386 /nfs/dbraw/zinc/28/23/86/880282386.db2.gz VAVYWFBLIXJZHQ-IBGZPJMESA-N -1 1 412.536 4.356 20 0 HIADMM Cc1oc2ccccc2c1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000466603082 880373458 /nfs/dbraw/zinc/37/34/58/880373458.db2.gz XCIIUSHCFTYWHF-UHFFFAOYSA-N -1 1 420.490 4.472 20 0 HIADMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(C)(C)C ZINC000466877547 880645845 /nfs/dbraw/zinc/64/58/45/880645845.db2.gz MYOSYRSBAOULQP-LLVKDONJSA-N -1 1 419.168 4.095 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(Oc4ccccc4)c3)cc2oc1=O ZINC000466962056 880751514 /nfs/dbraw/zinc/75/15/14/880751514.db2.gz ATSDMAFILXABPS-UHFFFAOYSA-N -1 1 410.451 4.208 20 0 HIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466969651 880769369 /nfs/dbraw/zinc/76/93/69/880769369.db2.gz RLHOAOFIIXZSKC-LBPRGKRZSA-N -1 1 419.396 4.061 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466970943 880772852 /nfs/dbraw/zinc/77/28/52/880772852.db2.gz JZUOYMBLJUNVEK-OAHLLOKOSA-N -1 1 416.474 4.037 20 0 HIADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000466973148 880775856 /nfs/dbraw/zinc/77/58/56/880775856.db2.gz LNRUDFNKSAGZGV-HOTGVXAUSA-N -1 1 423.506 4.219 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@@H](C)OC)c2)cc1 ZINC000467082310 880853821 /nfs/dbraw/zinc/85/38/21/880853821.db2.gz CSVWTXYIPLRVSC-OAHLLOKOSA-N -1 1 404.532 4.148 20 0 HIADMM COc1ccccc1[C@@H](C)N(C)C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467202748 880932895 /nfs/dbraw/zinc/93/28/95/880932895.db2.gz SCHGEDWHDPATSG-MRXNPFEDSA-N -1 1 423.538 4.478 20 0 HIADMM CCCOc1ccc(CNC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000467209967 880939543 /nfs/dbraw/zinc/93/95/43/880939543.db2.gz AAXXTSGRXRUAOF-UHFFFAOYSA-N -1 1 423.538 4.355 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@]3(C)CCCS3)cc2)cc1C ZINC000467340048 881090630 /nfs/dbraw/zinc/09/06/30/881090630.db2.gz BRBKCHBYUIMYPP-OAQYLSRUSA-N -1 1 418.584 4.120 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)cs1 ZINC000467429330 881222333 /nfs/dbraw/zinc/22/23/33/881222333.db2.gz WPXWFSILGQZFQB-CQSZACIVSA-N -1 1 408.545 4.023 20 0 HIADMM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000469122658 883216986 /nfs/dbraw/zinc/21/69/86/883216986.db2.gz YTGSJFXHBGMLHZ-UHFFFAOYSA-N -1 1 417.870 4.342 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1csc(Cl)c1 ZINC000469201881 883301197 /nfs/dbraw/zinc/30/11/97/883301197.db2.gz MSVQVYNWDDOMJQ-UHFFFAOYSA-N -1 1 424.906 4.271 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)c2ccccc2Br)c(=O)[n-]1 ZINC000503629845 912730661 /nfs/dbraw/zinc/73/06/61/912730661.db2.gz BYDGPIDAOFTETI-GFCCVEGCSA-N -1 1 424.364 4.127 20 0 HIADMM COCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000469513071 883771489 /nfs/dbraw/zinc/77/14/89/883771489.db2.gz BCUPWYYCMABBIV-UHFFFAOYSA-N -1 1 424.522 4.237 20 0 HIADMM CC[C@@H]1CN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CC[C@H]1c1ccccc1 ZINC000470205719 884521771 /nfs/dbraw/zinc/52/17/71/884521771.db2.gz FJWRSNCNCHYXNY-WIYYLYMNSA-N -1 1 416.525 4.137 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000470236604 884563593 /nfs/dbraw/zinc/56/35/93/884563593.db2.gz HMXQGJWAEQJEEN-UHFFFAOYSA-N -1 1 420.775 4.084 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1Br ZINC000470452788 884847527 /nfs/dbraw/zinc/84/75/27/884847527.db2.gz RTFRBTLTGOTRQD-UHFFFAOYSA-N -1 1 422.304 4.039 20 0 HIADMM CCC1(CC)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000470848838 885346869 /nfs/dbraw/zinc/34/68/69/885346869.db2.gz OJQAYZDKKDGLDG-UHFFFAOYSA-N -1 1 422.497 4.418 20 0 HIADMM CCc1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000470906994 885412831 /nfs/dbraw/zinc/41/28/31/885412831.db2.gz QNRMWILNGDUBTD-UHFFFAOYSA-N -1 1 410.495 4.316 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3cncs3)c2)c1 ZINC000470946009 885444407 /nfs/dbraw/zinc/44/44/07/885444407.db2.gz NVHQFYYWZWKKJS-HNNXBMFYSA-N -1 1 415.540 4.052 20 0 HIADMM COCCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCC1 ZINC000471165223 885721268 /nfs/dbraw/zinc/72/12/68/885721268.db2.gz MBLGRVPESVAMCD-UHFFFAOYSA-N -1 1 416.543 4.250 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)C1=CCCC1 ZINC000471167928 885724376 /nfs/dbraw/zinc/72/43/76/885724376.db2.gz GHQNHKAEXWOOAE-UHFFFAOYSA-N -1 1 406.891 4.198 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)ccc1F ZINC000471592601 886304629 /nfs/dbraw/zinc/30/46/29/886304629.db2.gz GIGNOFSMDQOTJD-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cn1ccc2cccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)c21 ZINC000471688131 886397212 /nfs/dbraw/zinc/39/72/12/886397212.db2.gz LQCCPAZSVOPYGX-UHFFFAOYSA-N -1 1 423.469 4.371 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCCc1ccc(Cl)cc1Cl ZINC000471709004 886416618 /nfs/dbraw/zinc/41/66/18/886416618.db2.gz KDCDKCUYICWAGB-UHFFFAOYSA-N -1 1 421.328 4.040 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3cc(C)c(F)cc3Cl)CCCCCC2)no1 ZINC000471787161 886522330 /nfs/dbraw/zinc/52/23/30/886522330.db2.gz KUALDNCXSVMLFW-UHFFFAOYSA-N -1 1 401.891 4.007 20 0 HIADMM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3F)n2)ccc1F ZINC000471884180 886664502 /nfs/dbraw/zinc/66/45/02/886664502.db2.gz AOOUERNIFJSWSE-SNVBAGLBSA-N -1 1 413.833 4.016 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000471928179 886719768 /nfs/dbraw/zinc/71/97/68/886719768.db2.gz QNUGUUZNDHCHHL-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@H](C(C)C)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471974097 886804521 /nfs/dbraw/zinc/80/45/21/886804521.db2.gz WKNRIKSWGITYTA-KRWDZBQOSA-N -1 1 404.507 4.053 20 0 HIADMM COc1ccccc1[C@H](CC(C)C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000472038654 886856991 /nfs/dbraw/zinc/85/69/91/886856991.db2.gz RBNZDPSBLSLKHX-FQEVSTJZSA-N -1 1 420.513 4.007 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000472245651 887056853 /nfs/dbraw/zinc/05/68/53/887056853.db2.gz CLLYTSYHSMQSPA-UZLBHIALSA-N -1 1 416.518 4.340 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC000504289172 913144052 /nfs/dbraw/zinc/14/40/52/913144052.db2.gz KHNQDUOLGXKUQW-UHFFFAOYSA-N -1 1 419.872 4.326 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1c(Cl)cc(F)cc1Br ZINC000504292772 913146147 /nfs/dbraw/zinc/14/61/47/913146147.db2.gz DHEMHUKYQREBMA-UHFFFAOYSA-N -1 1 418.593 4.460 20 0 HIADMM O=S(=O)([N-]CCCc1ccccn1)c1cc(Br)c(Cl)cc1Cl ZINC000472592964 887467461 /nfs/dbraw/zinc/46/74/61/887467461.db2.gz QQGGHRWCBZJPTP-UHFFFAOYSA-N -1 1 424.147 4.062 20 0 HIADMM CCCc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000504317572 913163647 /nfs/dbraw/zinc/16/36/47/913163647.db2.gz GCNFBRANNBHURB-UHFFFAOYSA-N -1 1 401.513 4.149 20 0 HIADMM CCc1nc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1 ZINC000473381468 888097113 /nfs/dbraw/zinc/09/71/13/888097113.db2.gz FBOXUACSNPOELG-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000473436734 888158446 /nfs/dbraw/zinc/15/84/46/888158446.db2.gz UPIYWJQRGRUOMK-UHFFFAOYSA-N -1 1 413.833 4.236 20 0 HIADMM C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1)C(=O)[O-] ZINC000473445809 888168987 /nfs/dbraw/zinc/16/89/87/888168987.db2.gz WUHDAGJQRGXXTE-VIFPVBQESA-N -1 1 406.262 4.197 20 0 HIADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000473561729 888301706 /nfs/dbraw/zinc/30/17/06/888301706.db2.gz OVBJVLPOFWETEY-ROUUACIJSA-N -1 1 408.523 4.409 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc2cc[nH]c2c1 ZINC000473564202 888303923 /nfs/dbraw/zinc/30/39/23/888303923.db2.gz XDLZILIOIXLJGB-UHFFFAOYSA-N -1 1 405.479 4.245 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000473663622 888417231 /nfs/dbraw/zinc/41/72/31/888417231.db2.gz XBZMFRXDTSSCTG-FXAWDEMLSA-N -1 1 420.488 4.077 20 0 HIADMM Cn1nc(C(F)F)c2cc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[n-]3)sc21 ZINC000473777656 888579237 /nfs/dbraw/zinc/57/92/37/888579237.db2.gz WPUYBPRGPOPOIA-UHFFFAOYSA-N -1 1 414.397 4.356 20 0 HIADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000473936701 888814513 /nfs/dbraw/zinc/81/45/13/888814513.db2.gz MUUIZIJLQNFSPB-INIZCTEOSA-N -1 1 410.495 4.026 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1Cl ZINC000504507075 913296847 /nfs/dbraw/zinc/29/68/47/913296847.db2.gz GGOZTDMWNXSPIQ-UHFFFAOYSA-N -1 1 405.785 4.045 20 0 HIADMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000504530751 913311456 /nfs/dbraw/zinc/31/14/56/913311456.db2.gz ZTFYZOJAYMUTMH-UHFFFAOYSA-N -1 1 411.479 4.180 20 0 HIADMM Cc1ncccc1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000504549902 913326126 /nfs/dbraw/zinc/32/61/26/913326126.db2.gz YVTKOPOPFAVFLA-UHFFFAOYSA-N -1 1 415.902 4.025 20 0 HIADMM COc1cc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1OCC(C)C ZINC000474489123 889349200 /nfs/dbraw/zinc/34/92/00/889349200.db2.gz AAAQOHGHSQNULI-CQSZACIVSA-N -1 1 415.534 4.323 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000474568301 889444256 /nfs/dbraw/zinc/44/42/56/889444256.db2.gz XWJDAQWGXUDCMZ-HNNXBMFYSA-N -1 1 405.445 4.197 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000475008061 889860972 /nfs/dbraw/zinc/86/09/72/889860972.db2.gz MLUIKUFSLRXGPD-UHFFFAOYSA-N -1 1 411.449 4.083 20 0 HIADMM COc1cccc(Cl)c1-c1noc(C)c1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000475101790 889949435 /nfs/dbraw/zinc/94/94/35/889949435.db2.gz FQJNTZCLSALYTQ-UHFFFAOYSA-N -1 1 418.784 4.435 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2N(C)C2CCCC2)c(=O)[n-]1 ZINC000475197007 890066989 /nfs/dbraw/zinc/06/69/89/890066989.db2.gz LWDDTQOETUUSCS-UHFFFAOYSA-N -1 1 400.548 4.163 20 0 HIADMM COc1ccc(NC(=O)N(C)C2CCC(C(C)(C)C)CC2)cc1[N-]S(C)(=O)=O ZINC000475368565 890298862 /nfs/dbraw/zinc/29/88/62/890298862.db2.gz MEPANNIMVRAZOE-UHFFFAOYSA-N -1 1 411.568 4.135 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@H]2CC2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000475388868 890315680 /nfs/dbraw/zinc/31/56/80/890315680.db2.gz HFAYXHHLAKRXRF-KRWDZBQOSA-N -1 1 409.552 4.033 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)c(Br)c1 ZINC000475803641 890738773 /nfs/dbraw/zinc/73/87/73/890738773.db2.gz FFVHTXZNYIDGCD-UHFFFAOYSA-N -1 1 402.335 4.289 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c(Br)c1 ZINC000475814493 890749259 /nfs/dbraw/zinc/74/92/59/890749259.db2.gz QDKHWQBIHNJCOD-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c(Br)c1 ZINC000475816319 890750520 /nfs/dbraw/zinc/75/05/20/890750520.db2.gz HBPOEKRGUISKHP-UHFFFAOYSA-N -1 1 406.248 4.370 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(Br)c1 ZINC000475817639 890751887 /nfs/dbraw/zinc/75/18/87/890751887.db2.gz VZZJBJIMXWKHJN-UHFFFAOYSA-N -1 1 400.294 4.046 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1Cl ZINC000475825477 890758849 /nfs/dbraw/zinc/75/88/49/890758849.db2.gz GCKBTCPNMODNNB-UHFFFAOYSA-N -1 1 416.886 4.298 20 0 HIADMM COc1ccc(Sc2nsc([N-]C(=O)c3oc(CC(C)C)nc3C)n2)cc1 ZINC000475953390 890875750 /nfs/dbraw/zinc/87/57/50/890875750.db2.gz ILTVUXJVONUMHU-UHFFFAOYSA-N -1 1 404.517 4.445 20 0 HIADMM COC1(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCCCC1 ZINC000476000935 890926489 /nfs/dbraw/zinc/92/64/89/890926489.db2.gz HWPDDOXALORGAQ-UHFFFAOYSA-N -1 1 402.516 4.084 20 0 HIADMM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000476169708 891098446 /nfs/dbraw/zinc/09/84/46/891098446.db2.gz WEGZULVWZKXJEB-ROUUACIJSA-N -1 1 418.559 4.155 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1 ZINC000476278210 891198609 /nfs/dbraw/zinc/19/86/09/891198609.db2.gz RAMBVKSDDXHELA-UHFFFAOYSA-N -1 1 412.433 4.051 20 0 HIADMM COc1cccc(-c2nsc(NC([O-])=C(c3ccccc3)c3ccccc3)n2)c1 ZINC000476328055 891233755 /nfs/dbraw/zinc/23/37/55/891233755.db2.gz WWNVZJNJYDRWMJ-UHFFFAOYSA-N -1 1 401.491 4.406 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000476375758 891290205 /nfs/dbraw/zinc/29/02/05/891290205.db2.gz DJKCBTZBBCAGHA-SIKLNZKXSA-N -1 1 416.525 4.013 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000476375759 891290742 /nfs/dbraw/zinc/29/07/42/891290742.db2.gz DJKCBTZBBCAGHA-UGKGYDQZSA-N -1 1 416.525 4.013 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)c1 ZINC000476384058 891298418 /nfs/dbraw/zinc/29/84/18/891298418.db2.gz APGHJTLHVFEHKV-UHFFFAOYSA-N -1 1 405.516 4.206 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(Br)c3C)cc2)o1 ZINC000476385622 891300237 /nfs/dbraw/zinc/30/02/37/891300237.db2.gz AAFSXGNLBXJSQA-UHFFFAOYSA-N -1 1 422.304 4.171 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC(C)C)cc1C ZINC000476415050 891326538 /nfs/dbraw/zinc/32/65/38/891326538.db2.gz AQQXWDKMHYPKGR-UHFFFAOYSA-N -1 1 414.449 4.261 20 0 HIADMM CCSc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000476419645 891331614 /nfs/dbraw/zinc/33/16/14/891331614.db2.gz AXPWQRIAWJJTRQ-UHFFFAOYSA-N -1 1 416.318 4.060 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3-c3cc(F)c(F)c(F)c3)ccc2N1 ZINC000476419604 891331996 /nfs/dbraw/zinc/33/19/96/891331996.db2.gz ASNIRZAWBICORC-UHFFFAOYSA-N -1 1 418.396 4.066 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000476423154 891335076 /nfs/dbraw/zinc/33/50/76/891335076.db2.gz AYKXWQASDFIJQC-UHFFFAOYSA-N -1 1 417.449 4.368 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000504829529 913548456 /nfs/dbraw/zinc/54/84/56/913548456.db2.gz YNVYHZJVPPHLBA-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000476544926 891460402 /nfs/dbraw/zinc/46/04/02/891460402.db2.gz KQYCWFVNOGRJEH-PMPSAXMXSA-N -1 1 404.507 4.133 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)[C@@H]3C)cc2)cc1 ZINC000476567679 891485891 /nfs/dbraw/zinc/48/58/91/891485891.db2.gz GKHBKYHQAWFGSB-ZACQAIPSSA-N -1 1 416.543 4.003 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)[C@H]3C)cc2)cc1 ZINC000476567674 891485970 /nfs/dbraw/zinc/48/59/70/891485970.db2.gz GKHBKYHQAWFGSB-BRWVUGGUSA-N -1 1 416.543 4.003 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)c(=O)[n-]1 ZINC000476701346 891659486 /nfs/dbraw/zinc/65/94/86/891659486.db2.gz SVXQIPDWLXSNBG-UHFFFAOYSA-N -1 1 418.519 4.355 20 0 HIADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)C1CC1 ZINC000477202120 892130647 /nfs/dbraw/zinc/13/06/47/892130647.db2.gz BVFXVMJIYFYDKW-LBPRGKRZSA-N -1 1 423.332 4.235 20 0 HIADMM CCOCCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCCC1 ZINC000477315258 892278631 /nfs/dbraw/zinc/27/86/31/892278631.db2.gz HPITXDHFDHTPAZ-UHFFFAOYSA-N -1 1 416.543 4.413 20 0 HIADMM C[C@@H](C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000477355399 892321169 /nfs/dbraw/zinc/32/11/69/892321169.db2.gz QCZLYBNYKDLZJB-MRXNPFEDSA-N -1 1 412.486 4.046 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCC12CCC2 ZINC000477370503 892332681 /nfs/dbraw/zinc/33/26/81/892332681.db2.gz CPDCLBBSKOMTOY-UHFFFAOYSA-N -1 1 424.444 4.275 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000477510956 892522343 /nfs/dbraw/zinc/52/23/43/892522343.db2.gz UCFSLEYVOKWBMF-QFIPXVFZSA-N -1 1 416.525 4.000 20 0 HIADMM COc1ccc(NC(=O)N[C@H](CC2CCC2)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000477569108 892628600 /nfs/dbraw/zinc/62/86/00/892628600.db2.gz FKTAHSDDKXTUNB-GOSISDBHSA-N -1 1 417.531 4.120 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000504942589 913684496 /nfs/dbraw/zinc/68/44/96/913684496.db2.gz MCVLMEVXMNJDGK-UONOGXRCSA-N -1 1 412.433 4.405 20 0 HIADMM Cc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cs1 ZINC000477735891 892833297 /nfs/dbraw/zinc/83/32/97/892833297.db2.gz AJYMBWFMCHKWDU-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000477824350 892889526 /nfs/dbraw/zinc/88/95/26/892889526.db2.gz VDMIUEZLEUKBBH-BMFZPTHFSA-N -1 1 405.292 4.322 20 0 HIADMM CC(=O)N(c1nc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cs1)c1ccc(C)cc1 ZINC000477827111 892891071 /nfs/dbraw/zinc/89/10/71/892891071.db2.gz UHGXUQIZDVADGN-DBVUQKKJSA-N -1 1 413.543 4.354 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC(C3CCCC3)C2)c1 ZINC000477890292 892954749 /nfs/dbraw/zinc/95/47/49/892954749.db2.gz SVROYUOYYOOPGQ-UHFFFAOYSA-N -1 1 412.555 4.366 20 0 HIADMM Cc1ccc(C(=O)N2CC(C3CCCC3)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000477916572 893000142 /nfs/dbraw/zinc/00/01/42/893000142.db2.gz QOAKQSQXUNFXCJ-UHFFFAOYSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(CC2CC2)CC2CCC2)cc1 ZINC000478592987 893864195 /nfs/dbraw/zinc/86/41/95/893864195.db2.gz DDNIKSGYTILVEL-UHFFFAOYSA-N -1 1 412.555 4.448 20 0 HIADMM Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000478603136 893869104 /nfs/dbraw/zinc/86/91/04/893869104.db2.gz QELGUDMCCFAOBK-ZDUSSCGKSA-N -1 1 401.923 4.188 20 0 HIADMM Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cn1 ZINC000478701077 893963121 /nfs/dbraw/zinc/96/31/21/893963121.db2.gz LJIHPBYLTUMEIN-UHFFFAOYSA-N -1 1 417.359 4.185 20 0 HIADMM CCSc1ccc([C@H](C)NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000505140880 913838306 /nfs/dbraw/zinc/83/83/06/913838306.db2.gz FMYAPZWBHBTNEH-AWEZNQCLSA-N -1 1 408.527 4.085 20 0 HIADMM Cc1ccc(O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000479118213 894387916 /nfs/dbraw/zinc/38/79/16/894387916.db2.gz KDMVCBNTLGWAEX-QGZVFWFLSA-N -1 1 410.495 4.202 20 0 HIADMM C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000479140383 894411032 /nfs/dbraw/zinc/41/10/32/894411032.db2.gz DMJHOWMGOGKEIY-OAHLLOKOSA-N -1 1 414.458 4.033 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)cc1 ZINC000479286297 894565473 /nfs/dbraw/zinc/56/54/73/894565473.db2.gz VEWKGUPNDSOANX-UHFFFAOYSA-N -1 1 422.510 4.232 20 0 HIADMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)c1C ZINC000479290691 894570856 /nfs/dbraw/zinc/57/08/56/894570856.db2.gz WRBRTUFRDUFLSG-UHFFFAOYSA-N -1 1 422.355 4.123 20 0 HIADMM CN(CC(F)F)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000505214327 913887656 /nfs/dbraw/zinc/88/76/56/913887656.db2.gz YYULNBNBJNVREC-UHFFFAOYSA-N -1 1 423.268 4.131 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(CN(C)Cc2cscn2)c1 ZINC000479304847 894591444 /nfs/dbraw/zinc/59/14/44/894591444.db2.gz FSUHXPZAXUHYHU-UHFFFAOYSA-N -1 1 405.520 4.023 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1F ZINC000479522070 894831995 /nfs/dbraw/zinc/83/19/95/894831995.db2.gz MCBAHJRLSCFMEG-UHFFFAOYSA-N -1 1 403.406 4.005 20 0 HIADMM CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1nc2nc(C)c(Br)cc2[n-]1 ZINC000480003086 895355429 /nfs/dbraw/zinc/35/54/29/895355429.db2.gz FCCFGSFQSJAQFS-CQSZACIVSA-N -1 1 412.284 4.093 20 0 HIADMM CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1nc2cc(Br)c(C)[n-]c-2n1 ZINC000480003086 895355463 /nfs/dbraw/zinc/35/54/63/895355463.db2.gz FCCFGSFQSJAQFS-CQSZACIVSA-N -1 1 412.284 4.093 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1C(=O)NC(C)C ZINC000480186729 895581824 /nfs/dbraw/zinc/58/18/24/895581824.db2.gz ALNXJYYTUGMTQO-UHFFFAOYSA-N -1 1 414.449 4.039 20 0 HIADMM COc1cc(Br)cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480224856 895630213 /nfs/dbraw/zinc/63/02/13/895630213.db2.gz LXNHEGDPJZHGPW-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2)n1 ZINC000480232086 895638665 /nfs/dbraw/zinc/63/86/65/895638665.db2.gz XCXABJHSMRLEEB-UHFFFAOYSA-N -1 1 407.417 4.358 20 0 HIADMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000480241659 895652515 /nfs/dbraw/zinc/65/25/15/895652515.db2.gz PTHWUUZQCSSXIV-UHFFFAOYSA-N -1 1 415.437 4.122 20 0 HIADMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc21 ZINC000480244738 895654888 /nfs/dbraw/zinc/65/48/88/895654888.db2.gz YRKDISPESFIREP-UHFFFAOYSA-N -1 1 412.433 4.193 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCO[C@@H]1c1ccccc1)c1c(Cl)cccc1C(F)(F)F ZINC000480633389 896004218 /nfs/dbraw/zinc/00/42/18/896004218.db2.gz FDYSNJFBDUDLCD-CZUORRHYSA-N -1 1 419.852 4.415 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Oc3cccc(C)c3)cc2)ccc1[O-] ZINC000480730309 896090182 /nfs/dbraw/zinc/09/01/82/896090182.db2.gz PGORWQIACXEESS-UHFFFAOYSA-N -1 1 412.467 4.252 20 0 HIADMM COc1ccc(C(C)(C)C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000480809303 896178598 /nfs/dbraw/zinc/17/85/98/896178598.db2.gz CFLDTHJEEDOTLK-UHFFFAOYSA-N -1 1 424.522 4.412 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@H](C3CC3)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000480999073 896330577 /nfs/dbraw/zinc/33/05/77/896330577.db2.gz KSPPXUHVKAIFHZ-KRWDZBQOSA-N -1 1 418.946 4.321 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC[C@H]3C(F)F)ccc2C)cc1 ZINC000505447806 914114176 /nfs/dbraw/zinc/11/41/76/914114176.db2.gz ONKRRRKTZLIHPN-SFHVURJKSA-N -1 1 422.497 4.364 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(CSC3CCCC3)c2)ccc1[O-] ZINC000481617724 897001300 /nfs/dbraw/zinc/00/13/00/897001300.db2.gz WTWFUVDJCWHUMP-UHFFFAOYSA-N -1 1 420.556 4.327 20 0 HIADMM COCc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000481879235 897251043 /nfs/dbraw/zinc/25/10/43/897251043.db2.gz MZARRRNGRDWZQK-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c2ccccc12 ZINC000481927384 897311545 /nfs/dbraw/zinc/31/15/45/897311545.db2.gz XWCUSFKPBVMQJC-UHFFFAOYSA-N -1 1 409.511 4.199 20 0 HIADMM O=C(c1nc[n-]c1-c1nc(-c2cccc(OCc3cccnc3)c2)no1)c1ccccc1 ZINC000481930619 897314188 /nfs/dbraw/zinc/31/41/88/897314188.db2.gz GMJLHBSFAJCDOS-UHFFFAOYSA-N -1 1 423.432 4.332 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1Cl ZINC000481970056 897361062 /nfs/dbraw/zinc/36/10/62/897361062.db2.gz OVMMZXPAJKZNBZ-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1Cl ZINC000481969783 897361490 /nfs/dbraw/zinc/36/14/90/897361490.db2.gz HIPZAHSXUGFCBR-UHFFFAOYSA-N -1 1 422.812 4.040 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000482525448 898113329 /nfs/dbraw/zinc/11/33/29/898113329.db2.gz AEWJIOFOFGRBNJ-UHFFFAOYSA-N -1 1 406.280 4.245 20 0 HIADMM COc1ccccc1-c1nn(C)cc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482536892 898123696 /nfs/dbraw/zinc/12/36/96/898123696.db2.gz QSOZCOQUCDRGHB-UHFFFAOYSA-N -1 1 416.275 4.125 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)c1 ZINC000482539628 898126740 /nfs/dbraw/zinc/12/67/40/898126740.db2.gz WVFKAUWLKUKDSJ-UHFFFAOYSA-N -1 1 419.304 4.126 20 0 HIADMM COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482598774 898199669 /nfs/dbraw/zinc/19/96/69/898199669.db2.gz BZFNLHASFFWLJM-NSHDSACASA-N -1 1 424.316 4.369 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)cc(Cl)c1[O-] ZINC000482641928 898245563 /nfs/dbraw/zinc/24/55/63/898245563.db2.gz MIXHDWNCOGXCQK-UHFFFAOYSA-N -1 1 402.205 4.276 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](c2ccccc2)N2CCSCC2)c1 ZINC000482708129 898308665 /nfs/dbraw/zinc/30/86/65/898308665.db2.gz MHQZYLAAOZBWTP-KRWDZBQOSA-N -1 1 421.360 4.192 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC(C)=C(C)C1 ZINC000482884783 898499591 /nfs/dbraw/zinc/49/95/91/898499591.db2.gz FRKZIZBUYGWGQF-UHFFFAOYSA-N -1 1 402.491 4.117 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCSCC[C@@H]3C)c2)c1 ZINC000482949526 898575992 /nfs/dbraw/zinc/57/59/92/898575992.db2.gz WHXNKMVQECFFGD-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM COc1ccc([C@@H](C)N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000483254209 898896161 /nfs/dbraw/zinc/89/61/61/898896161.db2.gz RYZMEHGQRMUYCE-QGZVFWFLSA-N -1 1 424.522 4.329 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC1CCC(C(C)(C)C)CC1 ZINC000483283562 898920351 /nfs/dbraw/zinc/92/03/51/898920351.db2.gz SCURMFXTDXFZIU-UHFFFAOYSA-N -1 1 410.562 4.454 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@H]2CCC[C@H](C)C2)c1 ZINC000483302131 898934187 /nfs/dbraw/zinc/93/41/87/898934187.db2.gz WPKUYFXHKIDRMS-KSSFIOAISA-N -1 1 404.507 4.243 20 0 HIADMM CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(OC)cc1 ZINC000483960971 899607885 /nfs/dbraw/zinc/60/78/85/899607885.db2.gz VRMJNRMTEKGNGX-QGZVFWFLSA-N -1 1 422.547 4.026 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2F)cc1 ZINC000484167415 899786523 /nfs/dbraw/zinc/78/65/23/899786523.db2.gz WRHKDHURORFLDB-UHFFFAOYSA-N -1 1 417.437 4.468 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(SCc2cccnc2)cc1 ZINC000484512988 900003759 /nfs/dbraw/zinc/00/37/59/900003759.db2.gz HUIAUKLVMZWIAU-UHFFFAOYSA-N -1 1 400.525 4.321 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(COc2cccc(F)c2)c1 ZINC000484544159 900026956 /nfs/dbraw/zinc/02/69/56/900026956.db2.gz RDLHPECBVRTKNV-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)c2)n[nH]1 ZINC000484639626 900088853 /nfs/dbraw/zinc/08/88/53/900088853.db2.gz YZJRUYMVWINOMS-UHFFFAOYSA-N -1 1 410.421 4.217 20 0 HIADMM O=C([O-])c1ccc(Oc2ccccc2)c(NS(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000485042696 900378412 /nfs/dbraw/zinc/37/84/12/900378412.db2.gz MKGNMBQMGAXABS-UHFFFAOYSA-N -1 1 411.435 4.008 20 0 HIADMM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2OC(F)F)cc(Cl)c1Cl ZINC000485061656 900387398 /nfs/dbraw/zinc/38/73/98/900387398.db2.gz YRQRJCRDXNVXOL-UHFFFAOYSA-N -1 1 412.197 4.094 20 0 HIADMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)c1 ZINC000485260174 900545004 /nfs/dbraw/zinc/54/50/04/900545004.db2.gz LAZXCGYRARVVKC-UHFFFAOYSA-N -1 1 415.442 4.042 20 0 HIADMM COc1cc(S(=O)(=O)Nc2ccc(C)c(C(F)(F)F)c2)c(Cl)cc1C(=O)[O-] ZINC000485297961 900575941 /nfs/dbraw/zinc/57/59/41/900575941.db2.gz LYBYFAAVLJAECZ-UHFFFAOYSA-N -1 1 423.796 4.175 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1cc(Cl)ccc1Br ZINC000485388538 900685148 /nfs/dbraw/zinc/68/51/48/900685148.db2.gz IUMYULJANQBBFV-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(Br)c([O-])c3)C2)cc1 ZINC000485410959 900709668 /nfs/dbraw/zinc/70/96/68/900709668.db2.gz RWTDLGNAYXULJI-OAHLLOKOSA-N -1 1 404.304 4.258 20 0 HIADMM CO[C@@](C)(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1CC1 ZINC000485425281 900723476 /nfs/dbraw/zinc/72/34/76/900723476.db2.gz BXLSEWFNGLHURR-HXUWFJFHSA-N -1 1 422.934 4.203 20 0 HIADMM C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000485662060 900914256 /nfs/dbraw/zinc/91/42/56/900914256.db2.gz CHHHQSGDGLSMFY-INIZCTEOSA-N -1 1 412.486 4.444 20 0 HIADMM CC(C)(C)OC1CC(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000486030066 901235127 /nfs/dbraw/zinc/23/51/27/901235127.db2.gz PSOIOLBSEOWGBG-UHFFFAOYSA-N -1 1 416.543 4.410 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCCOCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000486372444 901539164 /nfs/dbraw/zinc/53/91/64/901539164.db2.gz HCPWAWKUXUQEBH-OAHLLOKOSA-N -1 1 422.934 4.204 20 0 HIADMM Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c(F)c1 ZINC000486799628 901861552 /nfs/dbraw/zinc/86/15/52/901861552.db2.gz MXIWKLVPSFCABI-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c(=O)[n-]1 ZINC000487265695 902127079 /nfs/dbraw/zinc/12/70/79/902127079.db2.gz NUGOZLMQOOBSEL-VAMGGRTRSA-N -1 1 411.571 4.330 20 0 HIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1 ZINC000487273822 902133539 /nfs/dbraw/zinc/13/35/39/902133539.db2.gz VKXCHGSHBPCUHV-UHFFFAOYSA-N -1 1 409.573 4.153 20 0 HIADMM Cc1ccc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(F)c1 ZINC000487314171 902148701 /nfs/dbraw/zinc/14/87/01/902148701.db2.gz COUXUDUBFQYGTN-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000487962837 902487929 /nfs/dbraw/zinc/48/79/29/902487929.db2.gz PQCLAVMQFUXBKX-UHFFFAOYSA-N -1 1 418.497 4.353 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(-c2nnc3n2CCCCC3)ccc1C ZINC000488214870 902696361 /nfs/dbraw/zinc/69/63/61/902696361.db2.gz FFTWXJFCMABLFC-UHFFFAOYSA-N -1 1 410.543 4.343 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000488222801 902703426 /nfs/dbraw/zinc/70/34/26/902703426.db2.gz AGFHYFDNIBBWHU-UHFFFAOYSA-N -1 1 415.536 4.024 20 0 HIADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488233415 902709191 /nfs/dbraw/zinc/70/91/91/902709191.db2.gz QRUITWYPGZNENC-XMMPIXPASA-N -1 1 411.854 4.038 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488245254 902719971 /nfs/dbraw/zinc/71/99/71/902719971.db2.gz BFGHEHKVBUNNBO-CQSZACIVSA-N -1 1 417.861 4.367 20 0 HIADMM CCOc1cc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc(Cl)c1[O-] ZINC000488506735 902860985 /nfs/dbraw/zinc/86/09/85/902860985.db2.gz OZXFLXIHPXDFDM-OAHLLOKOSA-N -1 1 405.882 4.462 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CCCCCC2)no1 ZINC000488822730 903025740 /nfs/dbraw/zinc/02/57/40/903025740.db2.gz KZHSRLVHCSCABN-UHFFFAOYSA-N -1 1 421.416 4.064 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000488889675 903059360 /nfs/dbraw/zinc/05/93/60/903059360.db2.gz YNDNTRTVCIVVJM-NRFANRHFSA-N -1 1 402.498 4.239 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(COC3CCCC3)cc2)c(Cl)c1 ZINC000489743630 903571123 /nfs/dbraw/zinc/57/11/23/903571123.db2.gz WATIEJAHRBOOLO-UHFFFAOYSA-N -1 1 409.891 4.298 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)c2)n1 ZINC000489745874 903572914 /nfs/dbraw/zinc/57/29/14/903572914.db2.gz ZZJWKFDWUPCCOB-UHFFFAOYSA-N -1 1 407.499 4.183 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([C@@H]4C[C@H]4C)[nH]n3)cc2)cc1C ZINC000490277734 903871568 /nfs/dbraw/zinc/87/15/68/903871568.db2.gz VKWIPLSJIKCRCO-DNVCBOLYSA-N -1 1 424.526 4.203 20 0 HIADMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000490316879 903898212 /nfs/dbraw/zinc/89/82/12/903898212.db2.gz ULNIGNCFYKWGEI-KHPPLWFESA-N -1 1 407.455 4.138 20 0 HIADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])o1 ZINC000490674460 904168149 /nfs/dbraw/zinc/16/81/49/904168149.db2.gz NOKOSHMGIZXGMW-UHFFFAOYSA-N -1 1 406.847 4.000 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3c(C)cccc3O)c2)cc1F ZINC000490746419 904204909 /nfs/dbraw/zinc/20/49/09/904204909.db2.gz PJYFLMYJGREIIC-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CC1(C)C[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000492509482 904860647 /nfs/dbraw/zinc/86/06/47/904860647.db2.gz LSTPHZFKTJUHCZ-MRXNPFEDSA-N -1 1 412.433 4.035 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C(C)C)on3)ccc2C)c1 ZINC000492931432 904954206 /nfs/dbraw/zinc/95/42/06/904954206.db2.gz SVTGEVFWVKAYHF-UHFFFAOYSA-N -1 1 413.499 4.468 20 0 HIADMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000493163898 905037629 /nfs/dbraw/zinc/03/76/29/905037629.db2.gz YMHBWDRLFHGIAV-UHFFFAOYSA-N -1 1 423.785 4.335 20 0 HIADMM CC(C)c1csc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000493873581 905236777 /nfs/dbraw/zinc/23/67/77/905236777.db2.gz MTWDETCMKOGTBK-UHFFFAOYSA-N -1 1 409.758 4.161 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(-c2cccs2)[nH]n1 ZINC000494115346 905460412 /nfs/dbraw/zinc/46/04/12/905460412.db2.gz FNVSPGOXPUNNJD-UHFFFAOYSA-N -1 1 424.507 4.191 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)CCC2CC2)c(C(F)(F)F)c1)c1ccccc1 ZINC000494161977 905496742 /nfs/dbraw/zinc/49/67/42/905496742.db2.gz DGQHXRJWLCNPLL-UHFFFAOYSA-N -1 1 412.433 4.500 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2Br)c(=O)[n-]1 ZINC000494702257 905909267 /nfs/dbraw/zinc/90/92/67/905909267.db2.gz IGJAFJWNPDBERY-UHFFFAOYSA-N -1 1 416.728 4.200 20 0 HIADMM O=C(C/C=C\c1ccccc1F)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000495102167 906240677 /nfs/dbraw/zinc/24/06/77/906240677.db2.gz PSAKHDCUFSUCLW-FLIBITNWSA-N -1 1 424.497 4.346 20 0 HIADMM C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000512586079 921250156 /nfs/dbraw/zinc/25/01/56/921250156.db2.gz GSQRYPZRSPYVJD-QMMMGPOBSA-N -1 1 413.286 4.179 20 0 HIADMM COc1cccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000497311510 906829233 /nfs/dbraw/zinc/82/92/33/906829233.db2.gz GZLOHFVNGAXVSD-KRWDZBQOSA-N -1 1 424.522 4.295 20 0 HIADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000512795009 921312757 /nfs/dbraw/zinc/31/27/57/921312757.db2.gz MLOFZVDIEIEPOB-UHFFFAOYSA-N -1 1 410.495 4.156 20 0 HIADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000497862662 907340444 /nfs/dbraw/zinc/34/04/44/907340444.db2.gz LJOKHZOLLROXIL-UHFFFAOYSA-N -1 1 409.349 4.467 20 0 HIADMM CC(C)n1ncc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C1CC1 ZINC000497898320 907371164 /nfs/dbraw/zinc/37/11/64/907371164.db2.gz GDTJQUSATRPQKP-UHFFFAOYSA-N -1 1 424.526 4.395 20 0 HIADMM CCc1nc(C(=O)[N-]c2nc(-c3cccs3)ns2)nn1-c1ccccc1Cl ZINC000497989266 907466351 /nfs/dbraw/zinc/46/63/51/907466351.db2.gz RNPBYHCEZJKYQG-UHFFFAOYSA-N -1 1 416.919 4.315 20 0 HIADMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 ZINC000512834617 921337655 /nfs/dbraw/zinc/33/76/55/921337655.db2.gz RHXPODMZMAWOKY-UHFFFAOYSA-N -1 1 404.831 4.026 20 0 HIADMM O=C(NCc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498191307 907725086 /nfs/dbraw/zinc/72/50/86/907725086.db2.gz LBEVDMATZZABGS-UHFFFAOYSA-N -1 1 415.902 4.463 20 0 HIADMM CC(C)C1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000498192702 907727067 /nfs/dbraw/zinc/72/70/67/907727067.db2.gz QLBUBIFOXSXTRZ-UHFFFAOYSA-N -1 1 401.532 4.387 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@@H]1CCc2ccccc21 ZINC000498213606 907744089 /nfs/dbraw/zinc/74/40/89/907744089.db2.gz GJODRAWUIGKGDX-OAQYLSRUSA-N -1 1 407.495 4.296 20 0 HIADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000498212068 907744633 /nfs/dbraw/zinc/74/46/33/907744633.db2.gz WVKPCZROUPJSRB-QRWLVFNGSA-N -1 1 420.506 4.160 20 0 HIADMM CN(Cc1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498229621 907760799 /nfs/dbraw/zinc/76/07/99/907760799.db2.gz UIJHJGLTGICNTQ-UHFFFAOYSA-N -1 1 413.474 4.290 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1)N1CCc2ccccc21 ZINC000498397952 907880561 /nfs/dbraw/zinc/88/05/61/907880561.db2.gz SMDALFLUAVETAD-UHFFFAOYSA-N -1 1 418.518 4.179 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2C)c1C ZINC000498399821 907882320 /nfs/dbraw/zinc/88/23/20/907882320.db2.gz YQEWXMOAMNCKOE-UHFFFAOYSA-N -1 1 400.544 4.266 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C)(CC)CC)c2)cc1 ZINC000498679771 908109362 /nfs/dbraw/zinc/10/93/62/908109362.db2.gz HTAFQUSFHWBJIX-UHFFFAOYSA-N -1 1 404.532 4.195 20 0 HIADMM CCCN(CC(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000498721424 908147822 /nfs/dbraw/zinc/14/78/22/908147822.db2.gz LJGVKDJAUMKPHJ-UHFFFAOYSA-N -1 1 416.877 4.258 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc2n[nH]cc21 ZINC000499275155 908653353 /nfs/dbraw/zinc/65/33/53/908653353.db2.gz UCCVBQPFUOISTQ-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CCCC[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000499910340 909027330 /nfs/dbraw/zinc/02/73/30/909027330.db2.gz WDQSZMWNTBRYKH-HNNXBMFYSA-N -1 1 418.515 4.023 20 0 HIADMM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccco1 ZINC000500085976 909564513 /nfs/dbraw/zinc/56/45/13/909564513.db2.gz IHJKGJCDMFPIAD-MRXNPFEDSA-N -1 1 406.331 4.420 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1)C(C)=O ZINC000500306182 909768383 /nfs/dbraw/zinc/76/83/83/909768383.db2.gz RKAYKNKYJHOEFT-UHFFFAOYSA-N -1 1 414.449 4.183 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cccc1C(=O)N1CCCC1 ZINC000500332512 909791689 /nfs/dbraw/zinc/79/16/89/909791689.db2.gz ULHQYERBPUECRP-UHFFFAOYSA-N -1 1 412.433 4.051 20 0 HIADMM CC[C@@H](NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(Cl)s1 ZINC000513084460 921535990 /nfs/dbraw/zinc/53/59/90/921535990.db2.gz VJKGABZXWPRPFI-LLVKDONJSA-N -1 1 417.940 4.054 20 0 HIADMM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1cc(Br)ccc1F ZINC000500631558 909979545 /nfs/dbraw/zinc/97/95/45/909979545.db2.gz AANXYOXJWOZUER-KRWDZBQOSA-N -1 1 410.264 4.249 20 0 HIADMM Cc1ncc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)s1 ZINC000500854146 910126199 /nfs/dbraw/zinc/12/61/99/910126199.db2.gz VIKLBBUHZHNMRB-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(CC(C)C)C3CC3)ccc2C)c1 ZINC000513118720 921564914 /nfs/dbraw/zinc/56/49/14/921564914.db2.gz OOMPTDXLJNAGHE-UHFFFAOYSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](C)[C@H](C)C3)c2)cc1F ZINC000501620165 910721450 /nfs/dbraw/zinc/72/14/50/910721450.db2.gz ZCEBSHQGOKJXPP-GOEBONIOSA-N -1 1 404.507 4.053 20 0 HIADMM Cc1ccc(NC(=O)c2nc3cccnc3s2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000513198109 921616324 /nfs/dbraw/zinc/61/63/24/921616324.db2.gz ZSJPJHHSNARPCA-UHFFFAOYSA-N -1 1 424.507 4.053 20 0 HIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)c(Cl)c2)cc1 ZINC000501841112 910880996 /nfs/dbraw/zinc/88/09/96/910880996.db2.gz MBDPBQUEZOOKMH-UHFFFAOYSA-N -1 1 422.963 4.373 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 ZINC000501884065 910903056 /nfs/dbraw/zinc/90/30/56/910903056.db2.gz VSOVRUCNSHYLHS-AWEZNQCLSA-N -1 1 404.319 4.071 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCC(F)(F)C3)c2)c1 ZINC000502032146 910990323 /nfs/dbraw/zinc/99/03/23/910990323.db2.gz NUNCKSHAHLICIT-MRXNPFEDSA-N -1 1 422.497 4.351 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC(F)(F)C2)cc1 ZINC000502040248 910993984 /nfs/dbraw/zinc/99/39/84/910993984.db2.gz DHTVMHHRFPXDLL-INIZCTEOSA-N -1 1 422.497 4.351 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](COc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000502407047 911390551 /nfs/dbraw/zinc/39/05/51/911390551.db2.gz QKFHKCOBOYHORD-HXUWFJFHSA-N -1 1 423.538 4.082 20 0 HIADMM O=S(=O)([N-]C1(c2ccccc2)CC1)c1c(Cl)cc(F)cc1Br ZINC000502421969 911401712 /nfs/dbraw/zinc/40/17/12/911401712.db2.gz FWZISHCHKIHQAK-UHFFFAOYSA-N -1 1 404.688 4.209 20 0 HIADMM O=S(=O)([N-][C@H]1CCc2ccccc21)c1c(Cl)cc(F)cc1Br ZINC000502441894 911425624 /nfs/dbraw/zinc/42/56/24/911425624.db2.gz GGNBUHUNDZOQFA-AWEZNQCLSA-N -1 1 404.688 4.207 20 0 HIADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c3cc(=O)[nH][n-]3)cc1)O[C@@H](C)C2 ZINC000502687986 911727384 /nfs/dbraw/zinc/72/73/84/911727384.db2.gz UCKAENSLLBXOLG-SOVGHPHASA-N -1 1 419.481 4.247 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N(C)CCCc3cc(-c4ccccc4)no3)cnc2n1 ZINC000513353556 921734280 /nfs/dbraw/zinc/73/42/80/921734280.db2.gz LCLFHKMRVFLMDR-UHFFFAOYSA-N -1 1 402.454 4.004 20 0 HIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)CCCc1cc(-c3ccccc3)no1)c2=O ZINC000513353556 921734292 /nfs/dbraw/zinc/73/42/92/921734292.db2.gz LCLFHKMRVFLMDR-UHFFFAOYSA-N -1 1 402.454 4.004 20 0 HIADMM COc1cccc(C2(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)CC2)c1 ZINC000506494272 915102037 /nfs/dbraw/zinc/10/20/37/915102037.db2.gz CWKQMRBUQGTHLR-UHFFFAOYSA-N -1 1 422.506 4.166 20 0 HIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)no1 ZINC000506727286 915410557 /nfs/dbraw/zinc/41/05/57/915410557.db2.gz RVARSMQRJNOPLF-UHFFFAOYSA-N -1 1 400.460 4.050 20 0 HIADMM CN(Cc1cn(-c2cccc(Br)c2)nn1)Cc1cccc([O-])c1Cl ZINC000513406653 921774152 /nfs/dbraw/zinc/77/41/52/921774152.db2.gz VPJHUILMEBWJQZ-UHFFFAOYSA-N -1 1 407.699 4.021 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1cc(Cl)ccc1C(F)(F)F ZINC000506816469 915576079 /nfs/dbraw/zinc/57/60/79/915576079.db2.gz QSJSJGASDWHMJH-UHFFFAOYSA-N -1 1 401.797 4.345 20 0 HIADMM Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506817516 915578517 /nfs/dbraw/zinc/57/85/17/915578517.db2.gz GMZBWVUPZXAJGV-UHFFFAOYSA-N -1 1 422.550 4.295 20 0 HIADMM CC(C)CCC[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000507565160 916320854 /nfs/dbraw/zinc/32/08/54/916320854.db2.gz GGLFJIOMAHUBEU-UHFFFAOYSA-N -1 1 417.138 4.065 20 0 HIADMM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)ccc2O1 ZINC000507583493 916338334 /nfs/dbraw/zinc/33/83/34/916338334.db2.gz PQCJFTLOUZNIKP-UHFFFAOYSA-N -1 1 413.417 4.336 20 0 HIADMM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1F ZINC000507932907 916806239 /nfs/dbraw/zinc/80/62/39/916806239.db2.gz GGZNEDCFECNJFL-UHFFFAOYSA-N -1 1 402.463 4.370 20 0 HIADMM CC(C)(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000508029411 916863665 /nfs/dbraw/zinc/86/36/65/916863665.db2.gz XZLJTNDDPBXIBC-UHFFFAOYSA-N -1 1 414.449 4.282 20 0 HIADMM O=C(Nc1ccccn1)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000508033904 916864977 /nfs/dbraw/zinc/86/49/77/916864977.db2.gz WRIUEGQHCRYMSG-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C)cc1F ZINC000508110744 916925960 /nfs/dbraw/zinc/92/59/60/916925960.db2.gz FWWUOLDSQQNEAX-UHFFFAOYSA-N -1 1 420.506 4.102 20 0 HIADMM O=S(=O)([N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1ccccc1OC(F)F ZINC000508112419 916929530 /nfs/dbraw/zinc/92/95/30/916929530.db2.gz ZZFWAEQMZMHEFN-HNNXBMFYSA-N -1 1 420.359 4.351 20 0 HIADMM C[C@H]1CCC[C@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000508270275 917086781 /nfs/dbraw/zinc/08/67/81/917086781.db2.gz GTMQUVKJYWJSOB-HOTGVXAUSA-N -1 1 404.507 4.183 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)c1nc(-c2ccncc2)no1 ZINC000508758127 917514087 /nfs/dbraw/zinc/51/40/87/917514087.db2.gz PNOIUVLTXJJQPX-QGZVFWFLSA-N -1 1 414.512 4.022 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCSCC2)c1 ZINC000509069494 917815498 /nfs/dbraw/zinc/81/54/98/917815498.db2.gz SYJVUXOAQHEVME-UHFFFAOYSA-N -1 1 415.005 4.416 20 0 HIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1)C(C)=O ZINC000509088957 917830768 /nfs/dbraw/zinc/83/07/68/917830768.db2.gz HJEBQWMTLZUNTG-UHFFFAOYSA-N -1 1 414.449 4.183 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2c(Cl)cccc2Br)cc1F ZINC000509090919 917831807 /nfs/dbraw/zinc/83/18/07/917831807.db2.gz UHLYDPGHPWUTGS-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000509171406 917885321 /nfs/dbraw/zinc/88/53/21/917885321.db2.gz MLYXIGXZWSMPIX-QHCPKHFHSA-N -1 1 416.724 4.335 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1sccc1Cl ZINC000509225199 917923095 /nfs/dbraw/zinc/92/30/95/917923095.db2.gz HBVDOEQDHIHALV-UHFFFAOYSA-N -1 1 406.916 4.132 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000509418017 918079937 /nfs/dbraw/zinc/07/99/37/918079937.db2.gz QLPDVXIPUUFLCG-NRFANRHFSA-N -1 1 417.513 4.024 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C(C)(C)c1cccs1 ZINC000509429375 918087667 /nfs/dbraw/zinc/08/76/67/918087667.db2.gz HXINTDUWFXKOQS-UHFFFAOYSA-N -1 1 408.328 4.055 20 0 HIADMM Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3C)cn2)cc1 ZINC000509569057 918220358 /nfs/dbraw/zinc/22/03/58/918220358.db2.gz MNVXMJWNNYEXEA-UHFFFAOYSA-N -1 1 416.430 4.129 20 0 HIADMM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000509577178 918226501 /nfs/dbraw/zinc/22/65/01/918226501.db2.gz KMDSHYRHIQCHGV-UHFFFAOYSA-N -1 1 419.305 4.414 20 0 HIADMM C[C@@H]1[C@@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000509588246 918237109 /nfs/dbraw/zinc/23/71/09/918237109.db2.gz VFBPWNBJZPMRGL-NWDGAFQWSA-N -1 1 413.326 4.275 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccn2)cc1 ZINC000509659734 918292890 /nfs/dbraw/zinc/29/28/90/918292890.db2.gz VHAYYVXXONLFSH-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000509793292 918401227 /nfs/dbraw/zinc/40/12/27/918401227.db2.gz YFCMCVSLHGFWCC-JGVFFNPUSA-N -1 1 417.138 4.064 20 0 HIADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000509967246 918558975 /nfs/dbraw/zinc/55/89/75/918558975.db2.gz BSHSTCDCRRQOGJ-UGKGYDQZSA-N -1 1 406.507 4.021 20 0 HIADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 ZINC000509998565 918583523 /nfs/dbraw/zinc/58/35/23/918583523.db2.gz OCDVWHSZFVPTOQ-UHFFFAOYSA-N -1 1 420.347 4.045 20 0 HIADMM CCN(Cc1ccc2ccccc2c1)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000510717409 919159382 /nfs/dbraw/zinc/15/93/82/919159382.db2.gz GVLNUGMBJIQDFD-UHFFFAOYSA-N -1 1 402.498 4.186 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2F)n1 ZINC000511150049 919771053 /nfs/dbraw/zinc/77/10/53/919771053.db2.gz LKNCJGZAUFKGJP-UHFFFAOYSA-N -1 1 424.295 4.192 20 0 HIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1 ZINC000511151904 919772596 /nfs/dbraw/zinc/77/25/96/919772596.db2.gz XLBJDHPGQHOYIT-UHFFFAOYSA-N -1 1 408.951 4.479 20 0 HIADMM COc1c(F)cc([N-]S(=O)(=O)c2c(C)cc(Br)cc2C)cc1F ZINC000511217595 919827417 /nfs/dbraw/zinc/82/74/17/919827417.db2.gz PWPZZCVXQSEPQW-UHFFFAOYSA-N -1 1 406.248 4.154 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1Cl ZINC000511281440 919877197 /nfs/dbraw/zinc/87/71/97/919877197.db2.gz TYRSNIHIOMLKBP-UHFFFAOYSA-N -1 1 424.950 4.315 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c2)oc1C ZINC000511281610 919877549 /nfs/dbraw/zinc/87/75/49/919877549.db2.gz USDNYNUAJRJOAF-UHFFFAOYSA-N -1 1 419.462 4.478 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1 ZINC000511710077 920374954 /nfs/dbraw/zinc/37/49/54/920374954.db2.gz IPWIFKJNONJAGK-UHFFFAOYSA-N -1 1 412.467 4.160 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1F ZINC000511713962 920379212 /nfs/dbraw/zinc/37/92/12/920379212.db2.gz SBERMBLCMVSHLO-UHFFFAOYSA-N -1 1 401.459 4.319 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc4c(cc3C)OCO4)c2)cc1 ZINC000511750403 920427863 /nfs/dbraw/zinc/42/78/63/920427863.db2.gz GLBNBBTUYCIXTB-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM O=S(=O)([N-]CC1(c2ccc(F)cc2)CCOCC1)c1cc(Cl)sc1Cl ZINC000511856262 920580376 /nfs/dbraw/zinc/58/03/76/920580376.db2.gz VYFIRJTUHJIXOU-UHFFFAOYSA-N -1 1 424.346 4.221 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)[C@@H](C)CC)cc2)cc1 ZINC000512149429 920891240 /nfs/dbraw/zinc/89/12/40/920891240.db2.gz RMRMLTMLSVGTPP-HOTGVXAUSA-N -1 1 404.532 4.051 20 0 HIADMM O=C(N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000513549691 921885963 /nfs/dbraw/zinc/88/59/63/921885963.db2.gz XMMRSGAJEMNUBD-HOCLYGCPSA-N -1 1 401.388 4.008 20 0 HIADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513720758 922040712 /nfs/dbraw/zinc/04/07/12/922040712.db2.gz ONYWXSPTSPRYQE-DYESRHJHSA-N -1 1 416.543 4.267 20 0 HIADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513720761 922041550 /nfs/dbraw/zinc/04/15/50/922041550.db2.gz ONYWXSPTSPRYQE-UWJYYQICSA-N -1 1 416.543 4.267 20 0 HIADMM O=S(=O)([N-]Cc1ccnc(N2CCCC2)c1)c1c(Cl)cc(Cl)cc1Cl ZINC000515507142 923140457 /nfs/dbraw/zinc/14/04/57/923140457.db2.gz BKHQYMBCVVGJPM-UHFFFAOYSA-N -1 1 420.749 4.121 20 0 HIADMM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000515516782 923147035 /nfs/dbraw/zinc/14/70/35/923147035.db2.gz ISHCXLRJQWWBFD-CQSZACIVSA-N -1 1 424.238 4.040 20 0 HIADMM Cc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)s1 ZINC000515567520 923185264 /nfs/dbraw/zinc/18/52/64/923185264.db2.gz MAVIYWPPVTXXCB-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM O=S(=O)([N-]c1cccc(COCCOc2ccccc2)c1)c1ccc(F)cc1 ZINC000515631471 923232405 /nfs/dbraw/zinc/23/24/05/923232405.db2.gz YFDWLOAFGBVNPD-UHFFFAOYSA-N -1 1 401.459 4.222 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)c1 ZINC000515633160 923235122 /nfs/dbraw/zinc/23/51/22/923235122.db2.gz CHASZZJAWFNLNX-HNNXBMFYSA-N -1 1 406.935 4.464 20 0 HIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000515635344 923236773 /nfs/dbraw/zinc/23/67/73/923236773.db2.gz JICXTDFUCJQWQU-UHFFFAOYSA-N -1 1 414.449 4.425 20 0 HIADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c(C)c1 ZINC000515690783 923275165 /nfs/dbraw/zinc/27/51/65/923275165.db2.gz BXLOVGCXNYSEAU-UHFFFAOYSA-N -1 1 402.560 4.460 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000516218995 923607818 /nfs/dbraw/zinc/60/78/18/923607818.db2.gz NGVIJAWWAYHVPY-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)ccc1C(F)(F)F ZINC000516609835 923815435 /nfs/dbraw/zinc/81/54/35/923815435.db2.gz FJPWKDQPQBRGGD-UHFFFAOYSA-N -1 1 420.403 4.395 20 0 HIADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1C ZINC000516693385 923848523 /nfs/dbraw/zinc/84/85/23/923848523.db2.gz JXWBGMTZUHAHPF-UHFFFAOYSA-N -1 1 405.369 4.049 20 0 HIADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000517158055 924029165 /nfs/dbraw/zinc/02/91/65/924029165.db2.gz DHGYCQGRNWKFKX-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)cc1Cl ZINC000517401941 924159370 /nfs/dbraw/zinc/15/93/70/924159370.db2.gz RSOKWROQBFMDIR-AWEZNQCLSA-N -1 1 420.918 4.444 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000517524808 924245626 /nfs/dbraw/zinc/24/56/26/924245626.db2.gz MRMXGHYFIHMBJX-UHFFFAOYSA-N -1 1 412.921 4.223 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc3ccccc3c2)o1 ZINC000517601450 926709785 /nfs/dbraw/zinc/70/97/85/926709785.db2.gz GOOCHGNGDLKQGQ-JOCHJYFZSA-N -1 1 421.474 4.287 20 0 HIADMM CCO[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000517880071 926872212 /nfs/dbraw/zinc/87/22/12/926872212.db2.gz UIAHOKPCNJVTBK-NRFANRHFSA-N -1 1 410.495 4.204 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(C(F)(F)F)c1 ZINC000517924032 926892012 /nfs/dbraw/zinc/89/20/12/926892012.db2.gz NWSRDYMLXZQTEF-UHFFFAOYSA-N -1 1 417.405 4.065 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000518052508 926989121 /nfs/dbraw/zinc/98/91/21/926989121.db2.gz MEDYNTWKNNTLHN-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3NC(=O)C[C@H]3C=CCC3)ccc2O1 ZINC000518075098 927008246 /nfs/dbraw/zinc/00/82/46/927008246.db2.gz LQLNWHMOIQIAJQ-HOTGVXAUSA-N -1 1 412.511 4.106 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC=C(c2ccco2)C1 ZINC000518230938 927092604 /nfs/dbraw/zinc/09/26/04/927092604.db2.gz OQRPMYFBQSBWKE-UHFFFAOYSA-N -1 1 408.479 4.010 20 0 HIADMM CCOc1cc(C(=O)NCc2c(Cl)cccc2-n2ccnc2)cc(Cl)c1[O-] ZINC000518444777 927278485 /nfs/dbraw/zinc/27/84/85/927278485.db2.gz UQVFJFXUZPYKNM-UHFFFAOYSA-N -1 1 406.269 4.213 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3Cc4ccccc4C3)ccc2C)c1 ZINC000518504205 927313086 /nfs/dbraw/zinc/31/30/86/927313086.db2.gz KQHKVOIOERLSTQ-UHFFFAOYSA-N -1 1 406.507 4.260 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC000518572741 927354230 /nfs/dbraw/zinc/35/42/30/927354230.db2.gz JMWNGXYPXDCLBK-UHFFFAOYSA-N -1 1 404.320 4.406 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1OCC ZINC000518643956 927399376 /nfs/dbraw/zinc/39/93/76/927399376.db2.gz IABBHLGZJBGVGG-UHFFFAOYSA-N -1 1 418.437 4.259 20 0 HIADMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000518667150 927417657 /nfs/dbraw/zinc/41/76/57/927417657.db2.gz ULAVHLVPBMVKFT-LJQANCHMSA-N -1 1 407.413 4.180 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(Cc4ccccc4)no3)c2)cc1 ZINC000518852850 927557994 /nfs/dbraw/zinc/55/79/94/927557994.db2.gz WYCQJUDQZXIWAI-UHFFFAOYSA-N -1 1 405.479 4.437 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(-c3nc(COC)no3)ccc2C)cc1 ZINC000518872187 927580059 /nfs/dbraw/zinc/58/00/59/927580059.db2.gz MOJSUSZEOKKSOC-UHFFFAOYSA-N -1 1 415.515 4.335 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)Oc4ccccc43)cc2)cc1 ZINC000518956750 927656536 /nfs/dbraw/zinc/65/65/36/927656536.db2.gz IWUSCVLPEAHUCN-QGZVFWFLSA-N -1 1 422.506 4.224 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CC=CCC2)cc1 ZINC000519977449 928203805 /nfs/dbraw/zinc/20/38/05/928203805.db2.gz PGXBTGYHHYOSHW-MRXNPFEDSA-N -1 1 402.491 4.021 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CC)cc2C)cc1 ZINC000519994758 928222644 /nfs/dbraw/zinc/22/26/44/928222644.db2.gz QXBBUMSKNHQQPU-MRXNPFEDSA-N -1 1 404.532 4.113 20 0 HIADMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)cc2s1 ZINC000520018393 928241841 /nfs/dbraw/zinc/24/18/41/928241841.db2.gz XSMRZFNIGHGCRE-UHFFFAOYSA-N -1 1 415.540 4.113 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](C)CC3)c2)c1 ZINC000520138182 928334368 /nfs/dbraw/zinc/33/43/68/928334368.db2.gz BWFHAKOOQLGXPI-MRXNPFEDSA-N -1 1 400.544 4.366 20 0 HIADMM CN(C)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)c(C(F)(F)F)c1 ZINC000520285700 928446882 /nfs/dbraw/zinc/44/68/82/928446882.db2.gz ZIMUNIWGQCDCQO-UHFFFAOYSA-N -1 1 423.254 4.335 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cc(C)n3)cc2)cc1F ZINC000520627657 928683894 /nfs/dbraw/zinc/68/38/94/928683894.db2.gz RKIHJOCDKMQYSZ-UHFFFAOYSA-N -1 1 419.503 4.193 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1 ZINC000520700061 928746168 /nfs/dbraw/zinc/74/61/68/928746168.db2.gz ZRNQDPRQZGOJPZ-QGZVFWFLSA-N -1 1 400.544 4.373 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1C ZINC000520702501 928748847 /nfs/dbraw/zinc/74/88/47/928748847.db2.gz SZCWZHDRZMILCG-QGZVFWFLSA-N -1 1 416.543 4.127 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000521019338 928935916 /nfs/dbraw/zinc/93/59/16/928935916.db2.gz PGFZCHBIEFXXRG-UHFFFAOYSA-N -1 1 405.479 4.088 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](C)CC3)c2)cc1F ZINC000521096039 928991733 /nfs/dbraw/zinc/99/17/33/928991733.db2.gz HJTSHPXCQIVJHS-OAHLLOKOSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC[C@H]3CCCCO3)ccc2C)c1 ZINC000521143673 929022357 /nfs/dbraw/zinc/02/23/57/929022357.db2.gz OBUIBBJIJLOZTC-HXUWFJFHSA-N -1 1 416.543 4.392 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccccc1OC ZINC000521145617 929023009 /nfs/dbraw/zinc/02/30/09/929023009.db2.gz WKTOFHYFUAKSDC-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000521484085 929245883 /nfs/dbraw/zinc/24/58/83/929245883.db2.gz DVLNEGIWKAHSRK-QFIPXVFZSA-N -1 1 406.507 4.213 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4[nH]cnc4c3)ccc2C)c1 ZINC000521583976 929311618 /nfs/dbraw/zinc/31/16/18/929311618.db2.gz ZPWWFNKWOUPGTQ-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000521756713 929419372 /nfs/dbraw/zinc/41/93/72/929419372.db2.gz DWHGVUVQJUXNRU-FQEVSTJZSA-N -1 1 402.498 4.024 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(-c2nc(-c3cccnc3)no2)cc1 ZINC000521889833 929537522 /nfs/dbraw/zinc/53/75/22/929537522.db2.gz JCQNAWSHOZFMEU-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)c(C)c1 ZINC000521897004 929544046 /nfs/dbraw/zinc/54/40/46/929544046.db2.gz CINODDOUBJMQOQ-UHFFFAOYSA-N -1 1 414.449 4.423 20 0 HIADMM COc1ccc(NC(=O)c2cscc2-c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000521943755 929580533 /nfs/dbraw/zinc/58/05/33/929580533.db2.gz ONFOFLMBGAOTPP-UHFFFAOYSA-N -1 1 402.497 4.048 20 0 HIADMM C[C@@H](Cc1cccs1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000524502271 929649093 /nfs/dbraw/zinc/64/90/93/929649093.db2.gz WFCVKWVZJOBDRP-AWEZNQCLSA-N -1 1 418.515 4.049 20 0 HIADMM Cc1ccc(NC(=O)c2cnc(C3CC3)s2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000524707379 929806239 /nfs/dbraw/zinc/80/62/39/929806239.db2.gz MNULLFIKECURBA-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM CC[C@@H]1CCCCCN1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000524800349 929834295 /nfs/dbraw/zinc/83/42/95/929834295.db2.gz OKAYGNVIXJEQGF-LJQANCHMSA-N -1 1 415.559 4.352 20 0 HIADMM CCC(CC)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)on1 ZINC000525015392 929975767 /nfs/dbraw/zinc/97/57/67/929975767.db2.gz HIUMXWKQGNYVSH-UHFFFAOYSA-N -1 1 404.268 4.378 20 0 HIADMM CCC[C@H](CCc1ccccc1)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000525058630 930009203 /nfs/dbraw/zinc/00/92/03/930009203.db2.gz KGTDCWJFKOOOGH-OAQYLSRUSA-N -1 1 418.541 4.403 20 0 HIADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1)c1ccncc1 ZINC000525071850 930017315 /nfs/dbraw/zinc/01/73/15/930017315.db2.gz SMNILVZHGCCICQ-NRFANRHFSA-N -1 1 423.538 4.380 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000525100539 930034739 /nfs/dbraw/zinc/03/47/39/930034739.db2.gz DZYSUSMYAZYQCT-NFBKMPQASA-N -1 1 420.534 4.157 20 0 HIADMM CCc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000525407358 930224071 /nfs/dbraw/zinc/22/40/71/930224071.db2.gz VRKCBDUDPJOCGA-UHFFFAOYSA-N -1 1 412.486 4.119 20 0 HIADMM COc1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000525416503 930228873 /nfs/dbraw/zinc/22/88/73/930228873.db2.gz OJCMVUWIEUTQGE-SFHVURJKSA-N -1 1 423.510 4.115 20 0 HIADMM CCc1ccccc1CNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000525447115 930245177 /nfs/dbraw/zinc/24/51/77/930245177.db2.gz QHWNPQBRQUHLSH-UHFFFAOYSA-N -1 1 423.538 4.049 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1OCC1CCCCC1 ZINC000525471435 930261918 /nfs/dbraw/zinc/26/19/18/930261918.db2.gz MUXKVIOMICSWED-UHFFFAOYSA-N -1 1 414.527 4.250 20 0 HIADMM CC(C)CN(C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C(C)C ZINC000525497260 930283884 /nfs/dbraw/zinc/28/38/84/930283884.db2.gz LYMYXURXNMYPOD-UHFFFAOYSA-N -1 1 403.548 4.063 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@H](C)C(C)C ZINC000525521990 930299888 /nfs/dbraw/zinc/29/98/88/930299888.db2.gz KGOBWYRHUXMDDJ-CYBMUJFWSA-N -1 1 410.923 4.380 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)C1CC=CC1 ZINC000525521837 930300069 /nfs/dbraw/zinc/30/00/69/930300069.db2.gz BWVGZUVEAIZCPA-UHFFFAOYSA-N -1 1 406.891 4.054 20 0 HIADMM CCSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000525535506 930309246 /nfs/dbraw/zinc/30/92/46/930309246.db2.gz ABCZCQXWQFVYRY-CQSZACIVSA-N -1 1 404.557 4.038 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@@H]3Cc3ccccc3)c2)c1 ZINC000525615349 930363929 /nfs/dbraw/zinc/36/39/29/930363929.db2.gz RCIODXKEXIIOIT-REWPJTCUSA-N -1 1 420.534 4.157 20 0 HIADMM CC(C)c1nc(C(=O)[N-]c2nnc(-c3ccccc3)s2)nn1-c1ccccc1F ZINC000525630781 930373924 /nfs/dbraw/zinc/37/39/24/930373924.db2.gz IPLWXTKYXZUBIW-UHFFFAOYSA-N -1 1 408.462 4.301 20 0 HIADMM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C[C@H](C)S1 ZINC000525717918 930414497 /nfs/dbraw/zinc/41/44/97/930414497.db2.gz TZGLKZIRAKCBKM-KBPBESRZSA-N -1 1 424.975 4.107 20 0 HIADMM COc1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc(Cl)c1[O-] ZINC000527489619 930667464 /nfs/dbraw/zinc/66/74/64/930667464.db2.gz QEHCLWUOMCUEDH-UHFFFAOYSA-N -1 1 401.890 4.406 20 0 HIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)c1OC ZINC000530362063 930695912 /nfs/dbraw/zinc/69/59/12/930695912.db2.gz PXVGLEKOAWNRRW-UHFFFAOYSA-N -1 1 423.466 4.378 20 0 HIADMM Cc1ccc(C(=O)C2CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CC2)c(C)c1 ZINC000530854368 930841252 /nfs/dbraw/zinc/84/12/52/930841252.db2.gz SPGCDBNDNZKISI-UHFFFAOYSA-N -1 1 409.530 4.140 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccc(O)cc3)c2)c1 ZINC000531083813 930914501 /nfs/dbraw/zinc/91/45/01/930914501.db2.gz IWYDFNFIHJFXFV-UHFFFAOYSA-N -1 1 424.522 4.082 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(C)cc(C)c3)n[nH]2)cc1Cl ZINC000531257885 930985120 /nfs/dbraw/zinc/98/51/20/930985120.db2.gz HPUJWQJDRVCXBU-UHFFFAOYSA-N -1 1 418.906 4.106 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c2cccnc12 ZINC000531370795 931034200 /nfs/dbraw/zinc/03/42/00/931034200.db2.gz JKYQCJANCSTNFR-UHFFFAOYSA-N -1 1 402.447 4.115 20 0 HIADMM O=C(Nc1cc(F)ccc1O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000531374037 931035967 /nfs/dbraw/zinc/03/59/67/931035967.db2.gz YBIVECKABFUXKF-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CC(C)(C(N)=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000531527490 931092846 /nfs/dbraw/zinc/09/28/46/931092846.db2.gz IVJSOSLAGIKOMB-UHFFFAOYSA-N -1 1 402.903 4.057 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1C ZINC000531816916 931207351 /nfs/dbraw/zinc/20/73/51/931207351.db2.gz UNQUYKHPAAKSRK-UHFFFAOYSA-N -1 1 423.840 4.493 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000532012552 931284545 /nfs/dbraw/zinc/28/45/45/931284545.db2.gz XMGZEZUFVLUNJR-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)c1ccc([O-])cc1 ZINC000532016683 931286534 /nfs/dbraw/zinc/28/65/34/931286534.db2.gz NQIPSJBEVDTXRP-UHFFFAOYSA-N -1 1 409.442 4.406 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)c(F)c2)c1 ZINC000532586798 931545212 /nfs/dbraw/zinc/54/52/12/931545212.db2.gz GZIXVOKMXUJSEK-UHFFFAOYSA-N -1 1 401.463 4.022 20 0 HIADMM CCOc1cc(Br)c(CC(=O)Nc2ccc(F)cc2[O-])cc1OCC ZINC000532622223 931557897 /nfs/dbraw/zinc/55/78/97/931557897.db2.gz OSATYPWMTVFSCP-UHFFFAOYSA-N -1 1 412.255 4.272 20 0 HIADMM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000532848883 931659470 /nfs/dbraw/zinc/65/94/70/931659470.db2.gz NLZJBNVOGGSTHC-UHFFFAOYSA-N -1 1 423.796 4.175 20 0 HIADMM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000532856716 931666362 /nfs/dbraw/zinc/66/63/62/931666362.db2.gz OAVZUXYIMKMCOJ-UHFFFAOYSA-N -1 1 404.904 4.449 20 0 HIADMM NC(=O)c1ccccc1Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000533690470 931971832 /nfs/dbraw/zinc/97/18/32/931971832.db2.gz XCMMAFWIQWVUQJ-UHFFFAOYSA-N -1 1 420.849 4.171 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)co1 ZINC000533713811 931985313 /nfs/dbraw/zinc/98/53/13/931985313.db2.gz ULZBAWKQVBALKF-UHFFFAOYSA-N -1 1 422.915 4.245 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3)c2)c1 ZINC000534236617 932356263 /nfs/dbraw/zinc/35/62/63/932356263.db2.gz ZOBNWLXSFNFZQA-UHFFFAOYSA-N -1 1 422.506 4.010 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c1 ZINC000534370507 932400295 /nfs/dbraw/zinc/40/02/95/932400295.db2.gz MIHWTQUNYMXEKX-UHFFFAOYSA-N -1 1 403.438 4.164 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2C(F)(F)F)cc1CC ZINC000534496148 932531153 /nfs/dbraw/zinc/53/11/53/932531153.db2.gz ODUSPAIQOGCKLE-UHFFFAOYSA-N -1 1 417.449 4.002 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2CCC(F)(F)CC2)cc1 ZINC000534940800 932848865 /nfs/dbraw/zinc/84/88/65/932848865.db2.gz BQXQSNDYBOZFMO-UHFFFAOYSA-N -1 1 408.470 4.104 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cnn1-c1ccccn1 ZINC000534943864 932850506 /nfs/dbraw/zinc/85/05/06/932850506.db2.gz NUIDJNSXQPJXPV-UHFFFAOYSA-N -1 1 417.705 4.337 20 0 HIADMM COc1ccc(NC(=O)C/C=C\c2ccc(C(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000535014486 932885064 /nfs/dbraw/zinc/88/50/64/932885064.db2.gz RPUNTAMVPGRYEU-WAYWQWQTSA-N -1 1 402.516 4.232 20 0 HIADMM CC(C)(C)C1=CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000535466308 933156064 /nfs/dbraw/zinc/15/60/64/933156064.db2.gz QYSUVAASCOWZIU-UHFFFAOYSA-N -1 1 416.518 4.445 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(C)C)cc1 ZINC000535505503 933198130 /nfs/dbraw/zinc/19/81/30/933198130.db2.gz FKNACJDAQBTUOU-UHFFFAOYSA-N -1 1 411.321 4.332 20 0 HIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3Cl)c(F)cc2N1 ZINC000535658414 933302442 /nfs/dbraw/zinc/30/24/42/933302442.db2.gz JGVGCALJKUXYDD-UHFFFAOYSA-N -1 1 423.680 4.471 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(O)c3F)c2)c1 ZINC000535659043 933303782 /nfs/dbraw/zinc/30/37/82/933303782.db2.gz SICSLSQPFBKWJF-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000535830752 933420911 /nfs/dbraw/zinc/42/09/11/933420911.db2.gz RJRWIJCLLRGGJR-QGZVFWFLSA-N -1 1 416.525 4.067 20 0 HIADMM O=S(=O)(Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000562496491 945090983 /nfs/dbraw/zinc/09/09/83/945090983.db2.gz WOMJQRDFABUBEG-UHFFFAOYSA-N -1 1 402.690 4.406 20 0 HIADMM O=S(=O)(Cc1cc(Cl)ccc1Cl)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000562496491 945090993 /nfs/dbraw/zinc/09/09/93/945090993.db2.gz WOMJQRDFABUBEG-UHFFFAOYSA-N -1 1 402.690 4.406 20 0 HIADMM CC[C@@H](CSC)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000538262974 938577871 /nfs/dbraw/zinc/57/78/71/938577871.db2.gz MBFDYDUYRFMORX-HNNXBMFYSA-N -1 1 412.964 4.012 20 0 HIADMM CSc1ccccc1CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000538583531 938655157 /nfs/dbraw/zinc/65/51/57/938655157.db2.gz IRTUYZYKXVSTJH-UHFFFAOYSA-N -1 1 412.536 4.391 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000538835521 938722652 /nfs/dbraw/zinc/72/26/52/938722652.db2.gz PGYZMGZGANKAGR-UHFFFAOYSA-N -1 1 423.322 4.351 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000539136304 938809109 /nfs/dbraw/zinc/80/91/09/938809109.db2.gz BDIIAAJIDDNBTC-IBGZPJMESA-N -1 1 420.600 4.318 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)cc1 ZINC000539239590 938823707 /nfs/dbraw/zinc/82/37/07/938823707.db2.gz PLRPXXVWSZCVMS-UHFFFAOYSA-N -1 1 415.964 4.028 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1Br ZINC000539399553 938854911 /nfs/dbraw/zinc/85/49/11/938854911.db2.gz UUOCOLXTRDLKNC-UHFFFAOYSA-N -1 1 402.335 4.289 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4c(c3)CCO4)c2)cc1 ZINC000540077742 939061169 /nfs/dbraw/zinc/06/11/69/939061169.db2.gz KYTXIVGNTQJWNN-UHFFFAOYSA-N -1 1 422.506 4.072 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000540250221 939168179 /nfs/dbraw/zinc/16/81/79/939168179.db2.gz BOBCAKBWFGMBTN-UHFFFAOYSA-N -1 1 423.897 4.224 20 0 HIADMM O=C(c1c(Cl)cccc1Oc1ccccc1Cl)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540422685 939242887 /nfs/dbraw/zinc/24/28/87/939242887.db2.gz HZUUSUGMPGUSEL-GFCCVEGCSA-N -1 1 418.284 4.319 20 0 HIADMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540646502 939329662 /nfs/dbraw/zinc/32/96/62/939329662.db2.gz OWSGVOOOMWXAQC-CRAIPNDOSA-N -1 1 415.415 4.350 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3C)cc2)CC1 ZINC000540648415 939330118 /nfs/dbraw/zinc/33/01/18/939330118.db2.gz XPTWHLIRXYVSAW-UHFFFAOYSA-N -1 1 413.417 4.019 20 0 HIADMM CCCc1cnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000540678266 939337206 /nfs/dbraw/zinc/33/72/06/939337206.db2.gz GHMGMOOTCCKTEB-UHFFFAOYSA-N -1 1 401.513 4.149 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCO[C@@H](C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000540706094 939344459 /nfs/dbraw/zinc/34/44/59/939344459.db2.gz GTKWRMODXGQEAF-LSDHHAIUSA-N -1 1 422.934 4.203 20 0 HIADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C2)C1 ZINC000541045628 939440513 /nfs/dbraw/zinc/44/05/13/939440513.db2.gz NQTHUEIPKDTEHI-OPAMFIHVSA-N -1 1 416.518 4.279 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(C)(C)C)c(F)c2)ccc1F ZINC000541125688 939469850 /nfs/dbraw/zinc/46/98/50/939469850.db2.gz CJXLDPDIOXHIRW-UHFFFAOYSA-N -1 1 416.421 4.040 20 0 HIADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c(C(F)(F)F)c1 ZINC000541290944 939489584 /nfs/dbraw/zinc/48/95/84/939489584.db2.gz ONNFALTTXLJHTB-UHFFFAOYSA-N -1 1 424.391 4.216 20 0 HIADMM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000541307138 939490387 /nfs/dbraw/zinc/49/03/87/939490387.db2.gz VNTLPHROBLQHTK-UHFFFAOYSA-N -1 1 413.833 4.236 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](C(C)(C)C)C3)c2)cc1 ZINC000541489251 939534109 /nfs/dbraw/zinc/53/41/09/939534109.db2.gz RIYAMRLNKXDPCR-QGZVFWFLSA-N -1 1 416.543 4.004 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H]2CCCC[C@@H]12 ZINC000542060458 939701462 /nfs/dbraw/zinc/70/14/62/939701462.db2.gz GAZDLAXZNKDANH-NQERJWCQSA-N -1 1 416.518 4.277 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc4n3CCCC4)cc2)c(C)c1F ZINC000542104303 939714724 /nfs/dbraw/zinc/71/47/24/939714724.db2.gz GPIZBQXUCFYADH-UHFFFAOYSA-N -1 1 415.490 4.143 20 0 HIADMM CC1(C)CC[C@@H](C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000542886414 939865351 /nfs/dbraw/zinc/86/53/51/939865351.db2.gz CIBQPKGCMBRZHH-MRXNPFEDSA-N -1 1 404.507 4.069 20 0 HIADMM CC(C)OCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000543111904 939950988 /nfs/dbraw/zinc/95/09/88/939950988.db2.gz ZWLIDSLLNQKNRN-UHFFFAOYSA-N -1 1 424.950 4.076 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1-n1nnnc1C(C)C ZINC000543163990 939982422 /nfs/dbraw/zinc/98/24/22/939982422.db2.gz RHVDFUKDZXNMHB-UHFFFAOYSA-N -1 1 407.499 4.048 20 0 HIADMM CC(C)(C)[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000543345244 940036823 /nfs/dbraw/zinc/03/68/23/940036823.db2.gz LCDJGUXPTXQZQE-INIZCTEOSA-N -1 1 404.507 4.135 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(Cl)c1Cl ZINC000543660292 940153200 /nfs/dbraw/zinc/15/32/00/940153200.db2.gz MXJKKOSLSJJUNH-SNVBAGLBSA-N -1 1 418.298 4.066 20 0 HIADMM O=C(Nc1cnc2c(c1)CCCC2)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000543931160 940250822 /nfs/dbraw/zinc/25/08/22/940250822.db2.gz VZCHUDSZXHAIPZ-UHFFFAOYSA-N -1 1 407.495 4.014 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc3c(cn2)CCC3)c1 ZINC000563833017 945308080 /nfs/dbraw/zinc/30/80/80/945308080.db2.gz CLJUFKYUOOGOPN-UHFFFAOYSA-N -1 1 421.522 4.240 20 0 HIADMM Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000544094872 940324621 /nfs/dbraw/zinc/32/46/21/940324621.db2.gz GDDJEBQBOZCRAR-UHFFFAOYSA-N -1 1 408.888 4.271 20 0 HIADMM Cc1cccc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c1Br ZINC000544099464 940326994 /nfs/dbraw/zinc/32/69/94/940326994.db2.gz LWEZANLKASYDOX-LBPRGKRZSA-N -1 1 412.305 4.137 20 0 HIADMM CCC(CC)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)n1 ZINC000544537712 940474543 /nfs/dbraw/zinc/47/45/43/940474543.db2.gz KWYBYRXWAFYAMQ-UHFFFAOYSA-N -1 1 401.488 4.450 20 0 HIADMM C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000544646872 940497781 /nfs/dbraw/zinc/49/77/81/940497781.db2.gz UBOIREWILDCXAG-JTQLQIEISA-N -1 1 421.824 4.423 20 0 HIADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2COC(C)(C)CC)c1 ZINC000544647080 940497938 /nfs/dbraw/zinc/49/79/38/940497938.db2.gz FIYDLIUURHIEIH-UHFFFAOYSA-N -1 1 405.516 4.369 20 0 HIADMM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1(C)C ZINC000544713315 940505932 /nfs/dbraw/zinc/50/59/32/940505932.db2.gz HRCBFJOWFHOSQD-UZLBHIALSA-N -1 1 414.527 4.067 20 0 HIADMM Cc1nc(C2CC2)oc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544762377 940511783 /nfs/dbraw/zinc/51/17/83/940511783.db2.gz TZZFUQSAHVKQIS-UHFFFAOYSA-N -1 1 411.483 4.222 20 0 HIADMM Cc1nc(C2CC2)oc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000544760999 940511806 /nfs/dbraw/zinc/51/18/06/940511806.db2.gz ASDMASVJSXXALO-UHFFFAOYSA-N -1 1 411.483 4.222 20 0 HIADMM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1 ZINC000544841128 940518619 /nfs/dbraw/zinc/51/86/19/940518619.db2.gz KKZQIGBLNUHNJC-UHFFFAOYSA-N -1 1 420.497 4.102 20 0 HIADMM CCc1cnccc1[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544887463 940521771 /nfs/dbraw/zinc/52/17/71/940521771.db2.gz SMQVOINHZRFBBC-MRXNPFEDSA-N -1 1 424.526 4.328 20 0 HIADMM C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC(C)(C)C1 ZINC000544889429 940522169 /nfs/dbraw/zinc/52/21/69/940522169.db2.gz GNJCPXZTSXPZFS-MRXNPFEDSA-N -1 1 401.532 4.387 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(Cc4ccccn4)no3)cc2)c1C ZINC000544923572 940525847 /nfs/dbraw/zinc/52/58/47/940525847.db2.gz LHOBDASWOACWHE-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(-c2nc(-c3ccccn3)no2)cc1 ZINC000544932137 940526360 /nfs/dbraw/zinc/52/63/60/940526360.db2.gz DNSKOEXJXUUAMK-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(-c2nc([C@H]3Cc4ccccc43)no2)c1 ZINC000544977619 940530313 /nfs/dbraw/zinc/53/03/13/940530313.db2.gz JTRKVWBWDRPFKL-FQEVSTJZSA-N -1 1 421.453 4.365 20 0 HIADMM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)ccc21 ZINC000545366647 940565977 /nfs/dbraw/zinc/56/59/77/940565977.db2.gz XCAAJWBIZKBPOF-UHFFFAOYSA-N -1 1 412.433 4.114 20 0 HIADMM CS[C@H]1CCC[C@H](NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000545511030 940572516 /nfs/dbraw/zinc/57/25/16/940572516.db2.gz IBPXOYWMTNTFCR-WMZOPIPTSA-N -1 1 419.572 4.283 20 0 HIADMM COc1cccc(Cc2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)c1 ZINC000545586683 940575976 /nfs/dbraw/zinc/57/59/76/940575976.db2.gz MGAAEKODAHDDQN-UHFFFAOYSA-N -1 1 421.478 4.137 20 0 HIADMM Cc1ccnc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4C)cc3)n2)c1 ZINC000545588114 940576051 /nfs/dbraw/zinc/57/60/51/940576051.db2.gz DPNZMMGLCMZFFL-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(CCC(C)C)no3)cc2)cc1 ZINC000545704921 940581619 /nfs/dbraw/zinc/58/16/19/940581619.db2.gz IIJSHDOEOITPFL-UHFFFAOYSA-N -1 1 401.488 4.135 20 0 HIADMM Cc1ccccc1OCc1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000545740093 940583177 /nfs/dbraw/zinc/58/31/77/940583177.db2.gz FVKXSVHZKUZRKW-UHFFFAOYSA-N -1 1 421.478 4.425 20 0 HIADMM CCOc1cc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc(Cl)c1[O-] ZINC000545848058 940631937 /nfs/dbraw/zinc/63/19/37/940631937.db2.gz NXLNANQRGLLVAX-UHFFFAOYSA-N -1 1 417.815 4.137 20 0 HIADMM CCOc1cc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)cc(Cl)c1[O-] ZINC000545850506 940634093 /nfs/dbraw/zinc/63/40/93/940634093.db2.gz PMADKMCYXGHPOG-GFCCVEGCSA-N -1 1 401.850 4.028 20 0 HIADMM CCOc1cc(C(=O)N(Cc2cccc(OC)c2)C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000545876588 940648377 /nfs/dbraw/zinc/64/83/77/940648377.db2.gz CAGKKSYSILMQTA-SFHVURJKSA-N -1 1 419.905 4.274 20 0 HIADMM CCOc1cc(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)cc(Cl)c1[O-] ZINC000545877342 940649326 /nfs/dbraw/zinc/64/93/26/940649326.db2.gz KMBWTRDCUWUMKO-UHFFFAOYSA-N -1 1 400.862 4.380 20 0 HIADMM CN(Cc1cc2ccccc2o1)C(=O)c1ccc(I)c([O-])c1 ZINC000546195136 940726617 /nfs/dbraw/zinc/72/66/17/940726617.db2.gz VUMPCDVMEIMBCF-UHFFFAOYSA-N -1 1 407.207 4.015 20 0 HIADMM CCCOc1ccc(-c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)cc1 ZINC000546285857 940764566 /nfs/dbraw/zinc/76/45/66/940764566.db2.gz WCCHBVSUVMMAHE-UHFFFAOYSA-N -1 1 417.469 4.177 20 0 HIADMM Cc1cccnc1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)n1 ZINC000546313068 940778596 /nfs/dbraw/zinc/77/85/96/940778596.db2.gz UZAUMHGFAZFWHL-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CCc1cccnc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000546419114 940815500 /nfs/dbraw/zinc/81/55/00/940815500.db2.gz ONNYROOHCKFHGX-UHFFFAOYSA-N -1 1 424.457 4.301 20 0 HIADMM Cc1cc(Cc2noc(-c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)n2)no1 ZINC000546436670 940819663 /nfs/dbraw/zinc/81/96/63/940819663.db2.gz ZWHBWOKLTVUKOE-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc(COCC3CC3)no2)c1 ZINC000546442468 940820778 /nfs/dbraw/zinc/82/07/78/940820778.db2.gz JHXPVCXGHAGNMV-UHFFFAOYSA-N -1 1 419.890 4.117 20 0 HIADMM COC1(c2noc(-c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)n2)CCC1 ZINC000546516188 940840594 /nfs/dbraw/zinc/84/05/94/940840594.db2.gz UNLGXSFELAVCPD-UHFFFAOYSA-N -1 1 413.499 4.180 20 0 HIADMM CC[C@H](CC(F)(F)F)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000546914708 940911931 /nfs/dbraw/zinc/91/19/31/940911931.db2.gz SHYANDGUVFBJQX-CQSZACIVSA-N -1 1 418.412 4.087 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(COc3ccccc3)no2)cc1)c1ccccc1 ZINC000547024784 940962442 /nfs/dbraw/zinc/96/24/42/940962442.db2.gz UPMWOMINKPHMFP-UHFFFAOYSA-N -1 1 407.451 4.116 20 0 HIADMM CCOc1cc(C(=O)NC2(c3noc(C(F)(F)F)n3)CCCC2)cc(Cl)c1[O-] ZINC000564050965 945364226 /nfs/dbraw/zinc/36/42/26/945364226.db2.gz JELLFAFXRMQUEY-UHFFFAOYSA-N -1 1 419.787 4.045 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(COCC4CC4)no3)cc2)cc1C ZINC000547149724 941011802 /nfs/dbraw/zinc/01/18/02/941011802.db2.gz BPTCQNCHQPNHFC-UHFFFAOYSA-N -1 1 413.499 4.081 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(COCC4CC4)no3)cc2)cc1C ZINC000547158319 941015383 /nfs/dbraw/zinc/01/53/83/941015383.db2.gz ZABXUWDUESBVIO-UHFFFAOYSA-N -1 1 413.499 4.081 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(COCC4CC4)no3)cc2)c1C ZINC000547186875 941025312 /nfs/dbraw/zinc/02/53/12/941025312.db2.gz GXLWLKWNAQQEIW-UHFFFAOYSA-N -1 1 413.499 4.081 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@@H]4CCO[C@@H](C)C4)no3)cc2)cc1 ZINC000547211430 941033786 /nfs/dbraw/zinc/03/37/86/941033786.db2.gz QKQLTYKVIDCDHC-DOTOQJQBSA-N -1 1 413.499 4.128 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000547271005 941049661 /nfs/dbraw/zinc/04/96/61/941049661.db2.gz YBARDENZTLJFLE-QGZVFWFLSA-N -1 1 419.905 4.241 20 0 HIADMM O=C(Nc1nccc2sccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000547309331 941055567 /nfs/dbraw/zinc/05/55/67/941055567.db2.gz MYEDILNBXQMXJK-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM COc1cc(C)ccc1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000548364120 941097821 /nfs/dbraw/zinc/09/78/21/941097821.db2.gz PZZCKYSUTXLEJC-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM CCO[C@@H](C)c1nc(CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)cs1 ZINC000548941945 941131662 /nfs/dbraw/zinc/13/16/62/941131662.db2.gz PKLCPKXDBUIXHM-NSHDSACASA-N -1 1 405.907 4.420 20 0 HIADMM COc1ccc(OC2CCN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)CC2)cc1 ZINC000549186642 941169564 /nfs/dbraw/zinc/16/95/64/941169564.db2.gz MRLUMEBPFAZNQH-UHFFFAOYSA-N -1 1 412.873 4.286 20 0 HIADMM CC(=O)c1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cs1 ZINC000549365441 941183039 /nfs/dbraw/zinc/18/30/39/941183039.db2.gz BORRVUQNZXNDAA-UHFFFAOYSA-N -1 1 400.481 4.004 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000549934923 941242458 /nfs/dbraw/zinc/24/24/58/941242458.db2.gz OBUACHYGRMYGAA-UHFFFAOYSA-N -1 1 403.529 4.307 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cnn(C(C)C)c3)c2)c1 ZINC000550572420 941340833 /nfs/dbraw/zinc/34/08/33/941340833.db2.gz YTDSFYULQAXGGH-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000551118327 941413137 /nfs/dbraw/zinc/41/31/37/941413137.db2.gz FOQAEVXUTMVBEL-UHFFFAOYSA-N -1 1 418.696 4.164 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000553010840 941815544 /nfs/dbraw/zinc/81/55/44/941815544.db2.gz BOUZBKDRWZBDIT-NEPJUHHUSA-N -1 1 417.289 4.246 20 0 HIADMM CC[C@H](CSC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000553427659 941882823 /nfs/dbraw/zinc/88/28/23/941882823.db2.gz LJJQVWVRGOELKW-OAHLLOKOSA-N -1 1 412.964 4.012 20 0 HIADMM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)cc1)c1c(Cl)cc(F)cc1Cl ZINC000553574213 941912582 /nfs/dbraw/zinc/91/25/82/941912582.db2.gz BVRIJSWMBXJBPI-AWEZNQCLSA-N -1 1 412.697 4.188 20 0 HIADMM CCCCN(C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H](C)c1ccccc1 ZINC000553730616 941954228 /nfs/dbraw/zinc/95/42/28/941954228.db2.gz XQOBFMDOMHXUCM-SFHVURJKSA-N -1 1 404.514 4.073 20 0 HIADMM CCOc1cc(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc(Cl)c1[O-] ZINC000553775449 941965412 /nfs/dbraw/zinc/96/54/12/941965412.db2.gz VHSDTSKXAIWDAI-DZGCQCFKSA-N -1 1 407.919 4.085 20 0 HIADMM CCCCN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000553890366 941991073 /nfs/dbraw/zinc/99/10/73/941991073.db2.gz VQWSAPWYTHDFAU-UHFFFAOYSA-N -1 1 415.342 4.105 20 0 HIADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000555140037 942400229 /nfs/dbraw/zinc/40/02/29/942400229.db2.gz NXHLCFDBDSRTRH-UHFFFAOYSA-N -1 1 408.317 4.386 20 0 HIADMM CC1(C)CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000555340468 942484326 /nfs/dbraw/zinc/48/43/26/942484326.db2.gz BIOVBNUORUBQCS-UHFFFAOYSA-N -1 1 412.433 4.131 20 0 HIADMM CCOc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccc1C ZINC000556039990 942793684 /nfs/dbraw/zinc/79/36/84/942793684.db2.gz OEUNILUFZSBSHS-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)cc1Cl ZINC000556342778 942846574 /nfs/dbraw/zinc/84/65/74/942846574.db2.gz ZMMATTPGYCYKMB-UHFFFAOYSA-N -1 1 412.298 4.297 20 0 HIADMM COC1(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CCC(c2ccccc2)CC1 ZINC000557942992 943336044 /nfs/dbraw/zinc/33/60/44/943336044.db2.gz UGIGQPIWBHCDJU-UHFFFAOYSA-N -1 1 411.546 4.261 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3(F)CCC3)ccc2C)c1 ZINC000557977333 943345106 /nfs/dbraw/zinc/34/51/06/943345106.db2.gz RTWPCPKAEPKVFN-UHFFFAOYSA-N -1 1 404.507 4.116 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC2(CC1)OCCc1ccsc12 ZINC000558747901 943639643 /nfs/dbraw/zinc/63/96/43/943639643.db2.gz CLAWZICGKRHOGE-UHFFFAOYSA-N -1 1 414.914 4.360 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(Cc4cccnc4)no3)cc2)c1C ZINC000559971837 944105567 /nfs/dbraw/zinc/10/55/67/944105567.db2.gz ZPGWBFLOZVMSLQ-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM COc1cc(Br)ccc1Oc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000561694482 944750500 /nfs/dbraw/zinc/75/05/00/944750500.db2.gz JFCWFSBPTWSWKD-UHFFFAOYSA-N -1 1 413.231 4.085 20 0 HIADMM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)s1 ZINC000561769514 944789407 /nfs/dbraw/zinc/78/94/07/944789407.db2.gz UZKCFNKMVSTKPE-UHFFFAOYSA-N -1 1 418.943 4.046 20 0 HIADMM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)c(Br)c1 ZINC000562043565 944908619 /nfs/dbraw/zinc/90/86/19/944908619.db2.gz PLNATCMAKCKKBE-MRVPVSSYSA-N -1 1 418.263 4.310 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Cl)c1 ZINC000564247835 945465175 /nfs/dbraw/zinc/46/51/75/945465175.db2.gz MJECIKZLFPIHKF-UHFFFAOYSA-N -1 1 405.785 4.045 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000564538261 945661468 /nfs/dbraw/zinc/66/14/68/945661468.db2.gz PIURDZNEILYSHR-AWEZNQCLSA-N -1 1 406.280 4.173 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(COC)c2)c(C)c1 ZINC000564548916 945671407 /nfs/dbraw/zinc/67/14/07/945671407.db2.gz DRHCAAPDZQPAAG-AWEZNQCLSA-N -1 1 424.950 4.124 20 0 HIADMM O=c1cc(C(F)F)nc(SCc2nc(-c3cccc(Br)c3)no2)[n-]1 ZINC000564613204 945706486 /nfs/dbraw/zinc/70/64/86/945706486.db2.gz JGORAHCCELPZFF-UHFFFAOYSA-N -1 1 415.219 4.225 20 0 HIADMM Cc1ccc(-c2cnc(CS(=O)(=O)c3n[n-]c(-c4ccc(Cl)cc4)n3)o2)cc1 ZINC000564813433 945762638 /nfs/dbraw/zinc/76/26/38/945762638.db2.gz PLTLDGAGQCMMTJ-UHFFFAOYSA-N -1 1 414.874 4.062 20 0 HIADMM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)c([O-])c1 ZINC000565310896 945806584 /nfs/dbraw/zinc/80/65/84/945806584.db2.gz NLZIZZFQNXXXQY-GOEBONIOSA-N -1 1 414.658 4.207 20 0 HIADMM COC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCCC1 ZINC000565692713 945869268 /nfs/dbraw/zinc/86/92/68/945869268.db2.gz ALFJYXUUCXDNCP-UHFFFAOYSA-N -1 1 402.516 4.002 20 0 HIADMM CC(C)OCCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000566388457 946016416 /nfs/dbraw/zinc/01/64/16/946016416.db2.gz AFHMWXRZHREAFJ-UHFFFAOYSA-N -1 1 424.950 4.028 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000567023543 946219528 /nfs/dbraw/zinc/21/95/28/946219528.db2.gz JINNNUCYSGSKMQ-UHFFFAOYSA-N -1 1 419.856 4.480 20 0 HIADMM COCc1ccccc1CS(=O)(=O)[N-]c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000567141624 946249835 /nfs/dbraw/zinc/24/98/35/946249835.db2.gz NHBDMAVZLKHHDA-UHFFFAOYSA-N -1 1 407.495 4.318 20 0 HIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4nc(C)sc4c3)c2)n1 ZINC000568158380 946483621 /nfs/dbraw/zinc/48/36/21/946483621.db2.gz FBWQHTDFABFSPF-UHFFFAOYSA-N -1 1 400.485 4.072 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000568967741 946782885 /nfs/dbraw/zinc/78/28/85/946782885.db2.gz DOHJOZWRKPEAMU-UHFFFAOYSA-N -1 1 404.441 4.103 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)c(Cl)c1 ZINC000569165201 946829651 /nfs/dbraw/zinc/82/96/51/946829651.db2.gz UAOQGIMVPUUOFC-UHFFFAOYSA-N -1 1 411.907 4.016 20 0 HIADMM Cc1oc(-c2cccs2)nc1CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000570034759 947079584 /nfs/dbraw/zinc/07/95/84/947079584.db2.gz MYVVQYIZYZNQDW-UHFFFAOYSA-N -1 1 420.903 4.124 20 0 HIADMM Cc1oc(-c2cccs2)nc1CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000570034759 947079595 /nfs/dbraw/zinc/07/95/95/947079595.db2.gz MYVVQYIZYZNQDW-UHFFFAOYSA-N -1 1 420.903 4.124 20 0 HIADMM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000571568162 947706219 /nfs/dbraw/zinc/70/62/19/947706219.db2.gz GDPQVEJFARBYSU-MRXNPFEDSA-N -1 1 412.486 4.444 20 0 HIADMM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)C1 ZINC000571588626 947716777 /nfs/dbraw/zinc/71/67/77/947716777.db2.gz OQPGODPQVKKRJE-GHMZBOCLSA-N -1 1 417.731 4.031 20 0 HIADMM CC(C)[C@@H]1N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC12CCC2 ZINC000571687555 947749286 /nfs/dbraw/zinc/74/92/86/947749286.db2.gz FAPZNSBVMLRIBJ-FQEVSTJZSA-N -1 1 416.518 4.277 20 0 HIADMM O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000572010498 947827234 /nfs/dbraw/zinc/82/72/34/947827234.db2.gz XHMFWQRVYPUULX-UHFFFAOYSA-N -1 1 408.470 4.488 20 0 HIADMM O=C1[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)CCN1c1ccccc1C(F)(F)F ZINC000572325769 947884994 /nfs/dbraw/zinc/88/49/94/947884994.db2.gz QKQFGEQXHQPHKW-LLVKDONJSA-N -1 1 405.348 4.036 20 0 HIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000572430053 947901715 /nfs/dbraw/zinc/90/17/15/947901715.db2.gz QUPQVYOWAFPRNB-KRWDZBQOSA-N -1 1 414.453 4.144 20 0 HIADMM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000573735912 948285439 /nfs/dbraw/zinc/28/54/39/948285439.db2.gz GFLBDZMGEJMUIH-UHFFFAOYSA-N -1 1 414.218 4.209 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)C3CCCCC3)cc2)cc1 ZINC000573889830 948323094 /nfs/dbraw/zinc/32/30/94/948323094.db2.gz PYBTVKZARPMNMK-MRXNPFEDSA-N -1 1 416.543 4.195 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1CCC(=O)c2ccccc21 ZINC000574545491 948467719 /nfs/dbraw/zinc/46/77/19/948467719.db2.gz NNQUEOJWKIOOGN-NRFANRHFSA-N -1 1 420.490 4.186 20 0 HIADMM CO[C@](C)(c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)n1)C1CC1 ZINC000574609969 948491678 /nfs/dbraw/zinc/49/16/78/948491678.db2.gz AXJPNNWZBDAHTD-NRFANRHFSA-N -1 1 413.499 4.117 20 0 HIADMM Cc1c(C(=O)Nc2c([O-])cc(Br)cc2Cl)nnn1CC1CCCC1 ZINC000574943844 948560631 /nfs/dbraw/zinc/56/06/31/948560631.db2.gz PSCFBIFVOIYCJR-UHFFFAOYSA-N -1 1 413.703 4.151 20 0 HIADMM CC(C)CCc1nc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)cs1 ZINC000574995355 948570003 /nfs/dbraw/zinc/57/00/03/948570003.db2.gz PJGOHKZNITUQBV-UHFFFAOYSA-N -1 1 410.952 4.144 20 0 HIADMM CC(C)CCc1nc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)cs1 ZINC000574995355 948570011 /nfs/dbraw/zinc/57/00/11/948570011.db2.gz PJGOHKZNITUQBV-UHFFFAOYSA-N -1 1 410.952 4.144 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](CC4CC4)C3)cc2)cc1C ZINC000575112610 948598215 /nfs/dbraw/zinc/59/82/15/948598215.db2.gz XWGBPLRLTQFFOX-IBGZPJMESA-N -1 1 412.555 4.366 20 0 HIADMM C[C@H]1C(=O)CC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1(C)C ZINC000435939156 861202493 /nfs/dbraw/zinc/20/24/93/861202493.db2.gz UHARAWXFZDHLRD-HNAYVOBHSA-N -1 1 414.527 4.067 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3CCC(F)(F)C3)ccc2C)cc1 ZINC000435955418 861216400 /nfs/dbraw/zinc/21/64/00/861216400.db2.gz DSDRYJCRSJUDJK-INIZCTEOSA-N -1 1 422.497 4.269 20 0 HIADMM CC1=C[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000436009795 861301663 /nfs/dbraw/zinc/30/16/63/861301663.db2.gz VUXYQKDOVZTXLE-CQSZACIVSA-N -1 1 404.919 4.179 20 0 HIADMM COC(=O)c1csc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2Cl)c1 ZINC000436021588 861314401 /nfs/dbraw/zinc/31/44/01/861314401.db2.gz WDIMUIODAZVPEL-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM Cc1cc[nH]c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000436142153 861439177 /nfs/dbraw/zinc/43/91/77/861439177.db2.gz YQOODCURAQMWQT-UHFFFAOYSA-N -1 1 407.854 4.169 20 0 HIADMM CCc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)ccc1C ZINC000436169749 861469798 /nfs/dbraw/zinc/46/97/98/861469798.db2.gz LUCNXULJDJUHIN-UHFFFAOYSA-N -1 1 411.321 4.079 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C)cc(Br)c3)c2C)o1 ZINC000436185798 861485679 /nfs/dbraw/zinc/48/56/79/861485679.db2.gz MXILBCXEBFDCLI-UHFFFAOYSA-N -1 1 410.293 4.158 20 0 HIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(C2SCCS2)cc1 ZINC000005584842 845128808 /nfs/dbraw/zinc/12/88/08/845128808.db2.gz LUFXZMPLAMAUSK-UHFFFAOYSA-N -1 1 400.477 4.334 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC000007109405 845254696 /nfs/dbraw/zinc/25/46/96/845254696.db2.gz HRCKIRUIWOITFR-OAHLLOKOSA-N -1 1 424.588 4.078 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1 ZINC000007109248 845254784 /nfs/dbraw/zinc/25/47/84/845254784.db2.gz MQRFNFOBWCJGKO-UHFFFAOYSA-N -1 1 402.497 4.096 20 0 HIADMM Cc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000007922108 845447204 /nfs/dbraw/zinc/44/72/04/845447204.db2.gz FUDFBKGSQPITOG-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCc1ccccc1F ZINC000007922077 845447424 /nfs/dbraw/zinc/44/74/24/845447424.db2.gz RSOLTLHAKQGFNS-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1F ZINC000008033400 845464295 /nfs/dbraw/zinc/46/42/95/845464295.db2.gz LBLUJWLJBMUGQH-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM CCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)cc1 ZINC000008033321 845464811 /nfs/dbraw/zinc/46/48/11/845464811.db2.gz CWMLTDACXCUHNB-UHFFFAOYSA-N -1 1 410.495 4.311 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000008033567 845466314 /nfs/dbraw/zinc/46/63/14/845466314.db2.gz MHWJDRAVZBUXSU-HRAATJIYSA-N -1 1 416.543 4.195 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c(O)c1 ZINC000008378798 845521234 /nfs/dbraw/zinc/52/12/34/845521234.db2.gz CYCRUUYVWLQMLS-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM O=C(CSc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009903969 845602517 /nfs/dbraw/zinc/60/25/17/845602517.db2.gz CRZOKXOYRJZARJ-UHFFFAOYSA-N -1 1 416.499 4.357 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000010287878 845642280 /nfs/dbraw/zinc/64/22/80/845642280.db2.gz RTUCTBWFUVXVCW-UHFFFAOYSA-N -1 1 409.540 4.184 20 0 HIADMM O=C(NCC1(c2ccccc2)CCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010373095 845650902 /nfs/dbraw/zinc/65/09/02/845650902.db2.gz AKNJGDWXSVMQKB-UHFFFAOYSA-N -1 1 420.534 4.339 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCC1(c2ccccc2)CCC1 ZINC000011193794 845764870 /nfs/dbraw/zinc/76/48/70/845764870.db2.gz XUQKFRSUTNBNCL-UHFFFAOYSA-N -1 1 412.946 4.499 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000011513371 845806525 /nfs/dbraw/zinc/80/65/25/845806525.db2.gz KSJKQFRVUUJUOP-UHFFFAOYSA-N -1 1 418.469 4.224 20 0 HIADMM COc1cc(C)c(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)cc1OC ZINC000011647872 845821456 /nfs/dbraw/zinc/82/14/56/845821456.db2.gz NVVVWEXAGUCLKZ-UHFFFAOYSA-N -1 1 418.906 4.225 20 0 HIADMM CCOc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1OC ZINC000011871199 845839126 /nfs/dbraw/zinc/83/91/26/845839126.db2.gz SRBBLMODKRJPSI-UHFFFAOYSA-N -1 1 412.515 4.352 20 0 HIADMM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012647378 845882323 /nfs/dbraw/zinc/88/23/23/845882323.db2.gz MSRQEWZECUDXSB-UHFFFAOYSA-N -1 1 424.345 4.135 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)cc1 ZINC000012650066 845882401 /nfs/dbraw/zinc/88/24/01/845882401.db2.gz KFNURNFZKWEXJO-CQSZACIVSA-N -1 1 402.545 4.281 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1Cl ZINC000012737631 845887859 /nfs/dbraw/zinc/88/78/59/845887859.db2.gz ANHAENBLMNKAOE-UHFFFAOYSA-N -1 1 415.906 4.167 20 0 HIADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000013342522 845914868 /nfs/dbraw/zinc/91/48/68/845914868.db2.gz DRHDATAZVJXZBO-UHFFFAOYSA-N -1 1 412.197 4.094 20 0 HIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2C(F)(F)F)cc1 ZINC000014205427 845931003 /nfs/dbraw/zinc/93/10/03/845931003.db2.gz GUDAXJCMFYSFIC-UHFFFAOYSA-N -1 1 400.422 4.417 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N[C@H]1CCSc2ccccc21 ZINC000014701290 845971482 /nfs/dbraw/zinc/97/14/82/845971482.db2.gz BOFPFNFMBZQBOH-ZDUSSCGKSA-N -1 1 402.570 4.413 20 0 HIADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)Cc3ccccc3-4)ccc21 ZINC000015245459 846022908 /nfs/dbraw/zinc/02/29/08/846022908.db2.gz HXINBHVLOWXWOD-UHFFFAOYSA-N -1 1 418.518 4.358 20 0 HIADMM Cc1ccc(N2C(=O)C(=Cc3ccc([O-])c(Br)c3)NC2=S)cc1C ZINC000015256143 846025264 /nfs/dbraw/zinc/02/52/64/846025264.db2.gz LTISYAQDEFCDMZ-OQLLNIDSSA-N -1 1 403.301 4.034 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000015268719 846027049 /nfs/dbraw/zinc/02/70/49/846027049.db2.gz IVUPBEPRWWSHHA-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM Cc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000015352503 846039013 /nfs/dbraw/zinc/03/90/13/846039013.db2.gz AXVNLSZOSRUYNT-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000015352681 846039259 /nfs/dbraw/zinc/03/92/59/846039259.db2.gz JHSPWMHFZXLOOR-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)Cc2cccs2)cc1 ZINC000015385141 846043234 /nfs/dbraw/zinc/04/32/34/846043234.db2.gz IJQJQDMVOLHHDI-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)N[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC000015385982 846043436 /nfs/dbraw/zinc/04/34/36/846043436.db2.gz LYTTZGJIIJDEKV-SNVBAGLBSA-N -1 1 417.239 4.117 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000015411847 846045273 /nfs/dbraw/zinc/04/52/73/846045273.db2.gz AAVPASKNDUODFX-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000015434103 846048152 /nfs/dbraw/zinc/04/81/52/846048152.db2.gz IRNVBSGWFHAWJM-HUUCEWRRSA-N -1 1 406.935 4.259 20 0 HIADMM O=C(/C=C/c1ccco1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015437006 846049418 /nfs/dbraw/zinc/04/94/18/846049418.db2.gz SFMOMWGADPZLIN-ZHACJKMWSA-N -1 1 402.859 4.386 20 0 HIADMM CC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000015541097 846060335 /nfs/dbraw/zinc/06/03/35/846060335.db2.gz RNHTYTHSAIWAOH-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)cc1F ZINC000015563516 846063131 /nfs/dbraw/zinc/06/31/31/846063131.db2.gz WOOBCPJTMWKNAI-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000015591601 846068300 /nfs/dbraw/zinc/06/83/00/846068300.db2.gz GTVVKBZYRSMFGW-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000015739519 846087772 /nfs/dbraw/zinc/08/77/72/846087772.db2.gz HPGRALISSDPDRC-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM Cc1ccc(NC(=O)c2ccncc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000015735880 846087912 /nfs/dbraw/zinc/08/79/12/846087912.db2.gz IRLCUMSZRKSYBQ-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000015734908 846088143 /nfs/dbraw/zinc/08/81/43/846088143.db2.gz DEDTYJYLCLWBDV-UHFFFAOYSA-N -1 1 406.935 4.321 20 0 HIADMM COc1cccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000015744157 846089011 /nfs/dbraw/zinc/08/90/11/846089011.db2.gz BJDQCHPFXXJKAO-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM COc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)c1 ZINC000016505887 846179553 /nfs/dbraw/zinc/17/95/53/846179553.db2.gz BVZSIMVKACIPNI-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(OCc1nc2ccccc2s1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016581377 846185808 /nfs/dbraw/zinc/18/58/08/846185808.db2.gz IOAQMLHVWDFLBB-UHFFFAOYSA-N -1 1 424.503 4.454 20 0 HIADMM COc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)cc1 ZINC000016598212 846188337 /nfs/dbraw/zinc/18/83/37/846188337.db2.gz AEEKWARFTWRAJZ-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccccc1-n1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccncc1 ZINC000016762361 846207290 /nfs/dbraw/zinc/20/72/90/846207290.db2.gz LBPWFHDVSBWETN-UHFFFAOYSA-N -1 1 402.479 4.318 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000017297761 846241889 /nfs/dbraw/zinc/24/18/89/846241889.db2.gz HDACAVFGFBOKQM-UHFFFAOYSA-N -1 1 416.934 4.019 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000017304570 846242652 /nfs/dbraw/zinc/24/26/52/846242652.db2.gz HYBPMIGLGNDAPP-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4ccccc4C3)cc2)c1C ZINC000017322036 846245176 /nfs/dbraw/zinc/24/51/76/846245176.db2.gz MYGZCYPSCYDXEQ-UHFFFAOYSA-N -1 1 420.534 4.303 20 0 HIADMM CCCCOCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000017441938 846252323 /nfs/dbraw/zinc/25/23/23/846252323.db2.gz PVAHWILNHUBFLA-UHFFFAOYSA-N -1 1 418.559 4.041 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCCCSc1ccc(F)cc1 ZINC000018022707 846286746 /nfs/dbraw/zinc/28/67/46/846286746.db2.gz ZFIAMPBUYCFHIH-UHFFFAOYSA-N -1 1 408.549 4.107 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCCSc1ccccc1 ZINC000018214745 846310250 /nfs/dbraw/zinc/31/02/50/846310250.db2.gz HVSNYQCSXWDVQW-UHFFFAOYSA-N -1 1 404.948 4.170 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2nnc(-c3ccc(Br)s3)o2)n1 ZINC000018226720 846312245 /nfs/dbraw/zinc/31/22/45/846312245.db2.gz KLANQKGHRQABPI-UHFFFAOYSA-N -1 1 413.322 4.301 20 0 HIADMM O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([O-])cc1O ZINC000018267949 846318832 /nfs/dbraw/zinc/31/88/32/846318832.db2.gz DLJSVAMUINVFKY-UHFFFAOYSA-N -1 1 408.250 4.175 20 0 HIADMM O=C(NCCc1cccc(Cl)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000018832893 846344237 /nfs/dbraw/zinc/34/42/37/846344237.db2.gz DZFNXHLSGILBJC-UHFFFAOYSA-N -1 1 414.914 4.113 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000022080208 846528513 /nfs/dbraw/zinc/52/85/13/846528513.db2.gz DTQQIHQPEIWFQA-UHFFFAOYSA-N -1 1 405.829 4.044 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000022758977 846615717 /nfs/dbraw/zinc/61/57/17/846615717.db2.gz QOKILASLRFVCBX-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM O=C(C[C@@H]1C=CCC1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000022993337 846646757 /nfs/dbraw/zinc/64/67/57/846646757.db2.gz IXVBSJYQMNDDKV-CYBMUJFWSA-N -1 1 406.891 4.141 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@@H](C)C#N)c2)cc1 ZINC000023416922 846698373 /nfs/dbraw/zinc/69/83/73/846698373.db2.gz HCPAYTLEHORHNJ-INIZCTEOSA-N -1 1 400.500 4.207 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000023445083 846702602 /nfs/dbraw/zinc/70/26/02/846702602.db2.gz ZRXRJVBGZCSELN-MRXNPFEDSA-N -1 1 410.543 4.316 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)CC[C@H]3C)c2)cc1 ZINC000436371918 861712419 /nfs/dbraw/zinc/71/24/19/861712419.db2.gz UISYHCDHCAXNLF-DLBZAZTESA-N -1 1 416.543 4.147 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)nc2)c1 ZINC000023891705 846756542 /nfs/dbraw/zinc/75/65/42/846756542.db2.gz KGDZOEAIGBMJJS-UHFFFAOYSA-N -1 1 401.923 4.013 20 0 HIADMM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000024253081 846806866 /nfs/dbraw/zinc/80/68/66/846806866.db2.gz BKQZEIJBVSPDIW-UHFFFAOYSA-N -1 1 408.676 4.359 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1OCC ZINC000024432664 846823534 /nfs/dbraw/zinc/82/35/34/846823534.db2.gz ZWOIQSPLMRTVAF-UHFFFAOYSA-N -1 1 420.531 4.269 20 0 HIADMM COc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000025311053 846957597 /nfs/dbraw/zinc/95/75/97/846957597.db2.gz OPPCFPCRYCFQRU-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM COCc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000025335300 846962790 /nfs/dbraw/zinc/96/27/90/846962790.db2.gz MDEHPTPJIYACSJ-UHFFFAOYSA-N -1 1 414.458 4.025 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000025449491 846978333 /nfs/dbraw/zinc/97/83/33/846978333.db2.gz GVBPUGMFCHMIQO-UHFFFAOYSA-N -1 1 422.539 4.463 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CC(C)C)cc2)cc1 ZINC000025975434 847066079 /nfs/dbraw/zinc/06/60/79/847066079.db2.gz HTZAHLIDOSKDTB-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3cccc(-n4cccc4)c3)n2)n[n-]c1=S ZINC000026092546 847082919 /nfs/dbraw/zinc/08/29/19/847082919.db2.gz IZHABSYXRPBZOL-UHFFFAOYSA-N -1 1 422.539 4.217 20 0 HIADMM Cc1sc2ncn([N-]C(=O)c3cc4c(s3)-c3ccccc3OC4)c(=O)c2c1C ZINC000027153012 847256650 /nfs/dbraw/zinc/25/66/50/847256650.db2.gz HOVAUZIKFYRNJJ-UHFFFAOYSA-N -1 1 409.492 4.080 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](CC)C3)cc2)cc1 ZINC000027155308 847257005 /nfs/dbraw/zinc/25/70/05/847257005.db2.gz QHTSROQAXGEYBW-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCC(C)(C)C)c2)cc1 ZINC000027366602 847290012 /nfs/dbraw/zinc/29/00/12/847290012.db2.gz VQUVFLHUVKSPJW-UHFFFAOYSA-N -1 1 404.532 4.052 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC(C)(C)C)c2)cc1 ZINC000027366465 847290171 /nfs/dbraw/zinc/29/01/71/847290171.db2.gz LYOVJZSREZIVPE-UHFFFAOYSA-N -1 1 404.532 4.052 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccs3)cc2)cc1C ZINC000027627613 847329768 /nfs/dbraw/zinc/32/97/68/847329768.db2.gz RAISJQOPCQXIQZ-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM CCCCOc1ccc(OC)cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000028017005 847375630 /nfs/dbraw/zinc/37/56/30/847375630.db2.gz AEBMIPYMJUFGDX-UHFFFAOYSA-N -1 1 418.544 4.495 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(Br)c1 ZINC000028196408 847394581 /nfs/dbraw/zinc/39/45/81/847394581.db2.gz CDNYSQUSPPCLOZ-UHFFFAOYSA-N -1 1 410.211 4.457 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccccc3F)ccc2C)c1 ZINC000028700944 847451101 /nfs/dbraw/zinc/45/11/01/847451101.db2.gz XTNUXMMGADBTTR-UHFFFAOYSA-N -1 1 412.486 4.425 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1cc2ccccc2o1 ZINC000028868345 847470334 /nfs/dbraw/zinc/47/03/34/847470334.db2.gz NHAYKZHFOUICAN-HNNXBMFYSA-N -1 1 421.478 4.120 20 0 HIADMM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000029279396 847537400 /nfs/dbraw/zinc/53/74/00/847537400.db2.gz WGHQGDCVRWZQRM-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2c2cccnc2)cc1 ZINC000029287202 847539328 /nfs/dbraw/zinc/53/93/28/847539328.db2.gz JEYNIAVUPJHUBP-IBGZPJMESA-N -1 1 423.542 4.155 20 0 HIADMM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000029287610 847539476 /nfs/dbraw/zinc/53/94/76/847539476.db2.gz COUMALAJRRHHQH-PMACEKPBSA-N -1 1 415.559 4.217 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2OCCc2ccccc2)c(=O)[n-]1 ZINC000029344848 847548955 /nfs/dbraw/zinc/54/89/55/847548955.db2.gz FAVOCMRAJZXDOE-UHFFFAOYSA-N -1 1 423.538 4.405 20 0 HIADMM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000029353053 847550096 /nfs/dbraw/zinc/55/00/96/847550096.db2.gz SMJLHXIXXUFFEX-UHFFFAOYSA-N -1 1 424.507 4.191 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000029389821 847557791 /nfs/dbraw/zinc/55/77/91/847557791.db2.gz ZTUKNGNAHFVACQ-UHFFFAOYSA-N -1 1 422.754 4.175 20 0 HIADMM CCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000029450572 847565806 /nfs/dbraw/zinc/56/58/06/847565806.db2.gz DMWQFFFVAQVGGM-MRXNPFEDSA-N -1 1 404.532 4.147 20 0 HIADMM Cc1cc(C)n(-c2ccc(NC(=O)Cn3c(=S)[n-]nc3-c3cccc(C)c3)cc2)n1 ZINC000029792799 847621907 /nfs/dbraw/zinc/62/19/07/847621907.db2.gz HXDNXVYOIFJJJV-UHFFFAOYSA-N -1 1 418.526 4.357 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c(=O)[n-]1 ZINC000029842222 847631048 /nfs/dbraw/zinc/63/10/48/847631048.db2.gz AJHWTKMAQPQSQM-OAQYLSRUSA-N -1 1 419.550 4.319 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[C@H](C)C3)cc2)cc1 ZINC000030001003 847667404 /nfs/dbraw/zinc/66/74/04/847667404.db2.gz ZEPRNJJKHFBONU-QFBILLFUSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCC[C@@H](C)C3)cc2)cc1 ZINC000029997906 847667786 /nfs/dbraw/zinc/66/77/86/847667786.db2.gz PNIZEBBUMYXDQB-XLIONFOSSA-N -1 1 400.544 4.447 20 0 HIADMM CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030011857 847670225 /nfs/dbraw/zinc/67/02/25/847670225.db2.gz MIQZLEUUZGUANR-UHFFFAOYSA-N -1 1 412.486 4.289 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCC[C@H](C)C3)c2)cc1 ZINC000030016627 847671670 /nfs/dbraw/zinc/67/16/70/847671670.db2.gz BQPDABMPMOLJDZ-WMZOPIPTSA-N -1 1 416.543 4.195 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCC[C@@H](C)C3)cc2)cc1 ZINC000030016637 847671820 /nfs/dbraw/zinc/67/18/20/847671820.db2.gz PHNFEKBCZCZBEZ-APWZRJJASA-N -1 1 416.543 4.195 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccc(C)c(F)c3)c([O-])c2)c1 ZINC000030017256 847671961 /nfs/dbraw/zinc/67/19/61/847671961.db2.gz AYMHYIBITNQSJT-UHFFFAOYSA-N -1 1 424.428 4.362 20 0 HIADMM CCCN(C(=O)c1ccc(Br)cc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000436495775 861823582 /nfs/dbraw/zinc/82/35/82/861823582.db2.gz OTTLYKLIHGDRGS-CQSZACIVSA-N -1 1 419.319 4.424 20 0 HIADMM CC[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCO1 ZINC000030596744 847743290 /nfs/dbraw/zinc/74/32/90/847743290.db2.gz AXIMIYTWMNUVFM-AWEZNQCLSA-N -1 1 423.296 4.202 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000030603294 847743510 /nfs/dbraw/zinc/74/35/10/847743510.db2.gz WLBPSZVGDPBQNU-LJQANCHMSA-N -1 1 422.554 4.240 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccccc2SCc2c(C)noc2C)c1 ZINC000436501886 861826687 /nfs/dbraw/zinc/82/66/87/861826687.db2.gz AZYLBHNQQFVLBE-UHFFFAOYSA-N -1 1 412.467 4.328 20 0 HIADMM C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000030996666 847806472 /nfs/dbraw/zinc/80/64/72/847806472.db2.gz HEQMLELNTDDOOS-MRXNPFEDSA-N -1 1 424.497 4.147 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000436520139 861832981 /nfs/dbraw/zinc/83/29/81/861832981.db2.gz TVLVKNGOBWAMEK-OAHLLOKOSA-N -1 1 403.434 4.152 20 0 HIADMM Cc1c(NC(=O)c2ccc3ccccc3c2[O-])cccc1C(=O)N1CCSCC1 ZINC000436535120 861839317 /nfs/dbraw/zinc/83/93/17/861839317.db2.gz MZWGMNVXXWZEHE-UHFFFAOYSA-N -1 1 406.507 4.295 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000031163061 847833467 /nfs/dbraw/zinc/83/34/67/847833467.db2.gz AIIQMHWIIBFSGA-UHFFFAOYSA-N -1 1 410.473 4.297 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2ccc(OC(C)C)cc2)c1 ZINC000031292989 847857962 /nfs/dbraw/zinc/85/79/62/847857962.db2.gz UOLLEEDRNRLYLY-UHFFFAOYSA-N -1 1 424.570 4.452 20 0 HIADMM Cc1c(NC(=O)c2cc3ccccc3cc2[O-])cccc1C(=O)N1CCSCC1 ZINC000436531888 861838051 /nfs/dbraw/zinc/83/80/51/861838051.db2.gz IDUFVVLJWDCJEY-UHFFFAOYSA-N -1 1 406.507 4.295 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCCOc2ccccc2)c1 ZINC000031365266 847870049 /nfs/dbraw/zinc/87/00/49/847870049.db2.gz QQVIHDNUFPYWNK-UHFFFAOYSA-N -1 1 410.543 4.234 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3C)c2)c1 ZINC000031382840 847872616 /nfs/dbraw/zinc/87/26/16/847872616.db2.gz CXBWEAMUWUVHSI-LAUBAEHRSA-N -1 1 400.544 4.447 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc2)cc1 ZINC000031407149 847877144 /nfs/dbraw/zinc/87/71/44/847877144.db2.gz NTFVKBZXFMQDJB-INIZCTEOSA-N -1 1 416.543 4.197 20 0 HIADMM O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(Br)cc1[O-] ZINC000436540758 861842084 /nfs/dbraw/zinc/84/20/84/861842084.db2.gz QOBOESCABQOGLC-MRXNPFEDSA-N -1 1 402.248 4.135 20 0 HIADMM CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1Cl ZINC000436538566 861842110 /nfs/dbraw/zinc/84/21/10/861842110.db2.gz WGGHXIAZPZNMCH-UHFFFAOYSA-N -1 1 411.285 4.442 20 0 HIADMM CCCS(=O)(=O)Nc1cc(NC(=O)c2cc3ccccc3cc2[O-])c(F)cc1F ZINC000436538919 861842235 /nfs/dbraw/zinc/84/22/35/861842235.db2.gz UQAXYNBSZXCWCG-UHFFFAOYSA-N -1 1 420.437 4.228 20 0 HIADMM CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc2ccccc2cc1[O-] ZINC000436550619 861847489 /nfs/dbraw/zinc/84/74/89/861847489.db2.gz ZWKYLKSDRNVXTC-UHFFFAOYSA-N -1 1 413.271 4.019 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)C1 ZINC000031681462 847928776 /nfs/dbraw/zinc/92/87/76/847928776.db2.gz NDYKHLHJCMLRLM-GOSISDBHSA-N -1 1 400.544 4.366 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)C1 ZINC000031681342 847928836 /nfs/dbraw/zinc/92/88/36/847928836.db2.gz KBNLZMXMNPTLJA-GOSISDBHSA-N -1 1 400.544 4.366 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)C1 ZINC000031682128 847928898 /nfs/dbraw/zinc/92/88/98/847928898.db2.gz IDWOQAAYGBWINH-SFHVURJKSA-N -1 1 400.544 4.366 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)C(C)C)c2)cc1 ZINC000031716416 847936924 /nfs/dbraw/zinc/93/69/24/847936924.db2.gz XNFGKMXPDPVUCP-MRXNPFEDSA-N -1 1 404.532 4.003 20 0 HIADMM CCC[C@@H]1SCCN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436550090 861847934 /nfs/dbraw/zinc/84/79/34/861847934.db2.gz WDHVRZNOXIJLQY-SFHVURJKSA-N -1 1 406.454 4.238 20 0 HIADMM CCN(C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-])C1CCCC1 ZINC000436556606 861849963 /nfs/dbraw/zinc/84/99/63/861849963.db2.gz OLNCQILGSMQLMZ-UHFFFAOYSA-N -1 1 412.486 4.066 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N(Cc1ccccc1)CC1CCOCC1 ZINC000436557856 861850897 /nfs/dbraw/zinc/85/08/97/861850897.db2.gz VVWOFRPDHDZCCG-UHFFFAOYSA-N -1 1 404.304 4.224 20 0 HIADMM O=C(NCCCC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000032000899 847977680 /nfs/dbraw/zinc/97/76/80/847977680.db2.gz GDMSVWLATRJVPH-UHFFFAOYSA-N -1 1 404.507 4.327 20 0 HIADMM O=C(NC[C@@H]1CCCOC1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436559536 861851522 /nfs/dbraw/zinc/85/15/22/861851522.db2.gz XFRSVLDUCMCYJI-LBPRGKRZSA-N -1 1 423.296 4.108 20 0 HIADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000032035003 847980354 /nfs/dbraw/zinc/98/03/54/847980354.db2.gz AJKPVGOFESXBDD-UHFFFAOYSA-N -1 1 408.792 4.058 20 0 HIADMM O=C(NCCCc1ccccc1F)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436563984 861853067 /nfs/dbraw/zinc/85/30/67/861853067.db2.gz IOEAERKXWCNDDU-QFIPXVFZSA-N -1 1 420.484 4.038 20 0 HIADMM O=C(Nc1ccc(C(=O)NCc2ccc[nH]2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436574410 861856787 /nfs/dbraw/zinc/85/67/87/861856787.db2.gz LPYUNNJVYRBHDA-UHFFFAOYSA-N -1 1 404.253 4.209 20 0 HIADMM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032591495 848051121 /nfs/dbraw/zinc/05/11/21/848051121.db2.gz RDMUBAUVOZTXQU-UHFFFAOYSA-N -1 1 409.311 4.401 20 0 HIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1C ZINC000032590779 848051451 /nfs/dbraw/zinc/05/14/51/848051451.db2.gz RZUYLDODMWCENN-UHFFFAOYSA-N -1 1 404.822 4.009 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000032601703 848052327 /nfs/dbraw/zinc/05/23/27/848052327.db2.gz WIRHDXOZOZQLCU-UHFFFAOYSA-N -1 1 419.787 4.484 20 0 HIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1 ZINC000032600458 848052725 /nfs/dbraw/zinc/05/27/25/848052725.db2.gz FXVUJWYSOCCRQQ-INIZCTEOSA-N -1 1 412.515 4.007 20 0 HIADMM C[C@@H]1[C@H](C)OCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436597083 861863414 /nfs/dbraw/zinc/86/34/14/861863414.db2.gz OZLIFJBMMWOLTO-NEPJUHHUSA-N -1 1 423.296 4.201 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]4CCC[C@H]43)c([O-])c2)c1 ZINC000436585890 861860200 /nfs/dbraw/zinc/86/02/00/861860200.db2.gz ABIBRMQRHYYNCD-QVKFZJNVSA-N -1 1 424.497 4.066 20 0 HIADMM COc1cc(C=C(C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc(OC)c1[O-] ZINC000032811930 848078459 /nfs/dbraw/zinc/07/84/59/848078459.db2.gz PENPGMHICKKIGU-KPKJPENVSA-N -1 1 409.467 4.063 20 0 HIADMM CC(C)c1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000436600310 861863910 /nfs/dbraw/zinc/86/39/10/861863910.db2.gz GFVAEZJZCBTBEX-GOSISDBHSA-N -1 1 409.511 4.369 20 0 HIADMM Cc1ccc2c(c1)CN(C(=O)[C@H]1CCCN1C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000436599178 861864175 /nfs/dbraw/zinc/86/41/75/861864175.db2.gz CTKWBKQZFQIXJP-JOCHJYFZSA-N -1 1 400.478 4.001 20 0 HIADMM CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1F ZINC000436605331 861866721 /nfs/dbraw/zinc/86/67/21/861866721.db2.gz PAPBAXRPRJSYQL-FQEVSTJZSA-N -1 1 422.456 4.327 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)o1 ZINC000033149182 848114358 /nfs/dbraw/zinc/11/43/58/848114358.db2.gz ARNDXONDOGOXJG-UHFFFAOYSA-N -1 1 414.483 4.401 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)c(Cl)c1 ZINC000033156892 848115312 /nfs/dbraw/zinc/11/53/12/848115312.db2.gz UKKQQMRDKOFGEA-JTQLQIEISA-N -1 1 419.330 4.154 20 0 HIADMM CCCCOCCN(C(=O)c1ccc(O)cc1[O-])c1cccc(Br)c1 ZINC000436617837 861871586 /nfs/dbraw/zinc/87/15/86/861871586.db2.gz JNGSKOWSKYSOHO-UHFFFAOYSA-N -1 1 408.292 4.324 20 0 HIADMM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436607972 861867895 /nfs/dbraw/zinc/86/78/95/861867895.db2.gz SSJWUPNMXSMIMX-JTSKRJEESA-N -1 1 402.494 4.070 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)Cc3cccs3)c2)cc1 ZINC000033203714 848124570 /nfs/dbraw/zinc/12/45/70/848124570.db2.gz GYBIOWOSYZCUJP-INIZCTEOSA-N -1 1 414.552 4.218 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)Cc3ccco3)cc2)c1 ZINC000033206783 848125282 /nfs/dbraw/zinc/12/52/82/848125282.db2.gz IEKJJNXIISQJSL-QGZVFWFLSA-N -1 1 412.511 4.058 20 0 HIADMM CC1(C2CC2)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436612158 861869081 /nfs/dbraw/zinc/86/90/81/861869081.db2.gz WQUZOQUKQFAKEZ-OAQYLSRUSA-N -1 1 406.526 4.189 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N(CC)CC)c2)cc1 ZINC000036264505 848147381 /nfs/dbraw/zinc/14/73/81/848147381.db2.gz RRPNGSBBHOZCCL-UHFFFAOYSA-N -1 1 410.923 4.022 20 0 HIADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000036776798 848161824 /nfs/dbraw/zinc/16/18/24/848161824.db2.gz ZTEFUEJREBAKPV-UHFFFAOYSA-N -1 1 423.523 4.277 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1cccc(NC(=S)NCCc2ccccc2)c1 ZINC000036845576 848168816 /nfs/dbraw/zinc/16/88/16/848168816.db2.gz ATTJZJVPVATROB-UHFFFAOYSA-N -1 1 411.552 4.017 20 0 HIADMM C[C@H]1CCCC[C@@H]1NC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000036845478 848168970 /nfs/dbraw/zinc/16/89/70/848168970.db2.gz DKNZHARQHRLYHV-KXBFYZLASA-N -1 1 403.573 4.353 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCCC1=O ZINC000038696423 848179514 /nfs/dbraw/zinc/17/95/14/848179514.db2.gz VGQVEPQFVJWTOX-UHFFFAOYSA-N -1 1 422.506 4.290 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cc(Br)cnc1Cl ZINC000041065712 848200244 /nfs/dbraw/zinc/20/02/44/848200244.db2.gz VIKXHEHZHIHQIG-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c(=O)[n-]1 ZINC000041895728 848263095 /nfs/dbraw/zinc/26/30/95/848263095.db2.gz XTDTUWDUPXXXBJ-YVEFUNNKSA-N -1 1 401.532 4.053 20 0 HIADMM CCCc1ccc([C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C(C)C)cc1 ZINC000042092306 848284458 /nfs/dbraw/zinc/28/44/58/848284458.db2.gz YKRWYLIHGLSKSU-HSZRJFAPSA-N -1 1 418.541 4.149 20 0 HIADMM Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc([O-])cc2F)n1C ZINC000436667099 861888027 /nfs/dbraw/zinc/88/80/27/861888027.db2.gz SRAGMHHPZOQANE-UHFFFAOYSA-N -1 1 404.239 4.255 20 0 HIADMM CC[C@H](C)n1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1C ZINC000436673693 861889838 /nfs/dbraw/zinc/88/98/38/861889838.db2.gz FYKYAQNKYNNJDS-BTYIYWSLSA-N -1 1 420.513 4.265 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)COC3)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436696783 861895700 /nfs/dbraw/zinc/89/57/00/861895700.db2.gz HYNRBBSUPRODTB-UHFFFAOYSA-N -1 1 410.376 4.205 20 0 HIADMM Cc1ncsc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000043272229 848402307 /nfs/dbraw/zinc/40/23/07/848402307.db2.gz KOZABDYYFUFHKB-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM COc1cc(OC)c(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000043413932 848421120 /nfs/dbraw/zinc/42/11/20/848421120.db2.gz JALPDQFKSQAXFU-UHFFFAOYSA-N -1 1 418.877 4.190 20 0 HIADMM Cc1cc(N2CCCC2)ccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043496279 848430547 /nfs/dbraw/zinc/43/05/47/848430547.db2.gz KZBWLPMXTVSWKK-UHFFFAOYSA-N -1 1 407.514 4.428 20 0 HIADMM C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436719620 861904303 /nfs/dbraw/zinc/90/43/03/861904303.db2.gz AMFZRTZKGVWRSP-PIGZYNQJSA-N -1 1 410.695 4.410 20 0 HIADMM Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)cc1 ZINC000436717508 861905477 /nfs/dbraw/zinc/90/54/77/861905477.db2.gz GOIVLUYEOHAREB-OAHLLOKOSA-N -1 1 401.894 4.028 20 0 HIADMM CC(C)Oc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000043749779 848459283 /nfs/dbraw/zinc/45/92/83/848459283.db2.gz KWFVAHFTSVTURK-UHFFFAOYSA-N -1 1 424.522 4.205 20 0 HIADMM N#Cc1ccccc1NC(=S)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000044081133 848511972 /nfs/dbraw/zinc/51/19/72/848511972.db2.gz VDJHUCXFTGPAEN-UHFFFAOYSA-N -1 1 408.508 4.168 20 0 HIADMM CC(C)c1ccc(-c2nc(C(=O)OCC(=O)[N-]C(=O)c3ccccc3)cs2)cc1 ZINC000044151636 848523267 /nfs/dbraw/zinc/52/32/67/848523267.db2.gz DEBQIJQBYVYNMD-UHFFFAOYSA-N -1 1 408.479 4.047 20 0 HIADMM Cc1cc(C)n(-c2ccccc2NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000044209348 848531601 /nfs/dbraw/zinc/53/16/01/848531601.db2.gz CESKCDVCOOIBPW-UHFFFAOYSA-N -1 1 418.497 4.322 20 0 HIADMM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(Br)ccc1[O-] ZINC000436739896 861921327 /nfs/dbraw/zinc/92/13/27/861921327.db2.gz QVCAVZZIZLLLIK-UHFFFAOYSA-N -1 1 418.209 4.164 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c(=O)[n-]1 ZINC000044810160 848606459 /nfs/dbraw/zinc/60/64/59/848606459.db2.gz ILPLWMXSQDVDGW-UHFFFAOYSA-N -1 1 410.499 4.280 20 0 HIADMM CCOc1ccc(CCNC(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1OCC ZINC000436739701 861922879 /nfs/dbraw/zinc/92/28/79/861922879.db2.gz PBLYVZNYJMAVIX-UHFFFAOYSA-N -1 1 407.894 4.214 20 0 HIADMM CCN(Cc1cccs1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436745468 861929102 /nfs/dbraw/zinc/92/91/02/861929102.db2.gz UUJAFHRSKOTYTC-FQEVSTJZSA-N -1 1 408.523 4.260 20 0 HIADMM COc1cc(N[C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)cc(OC)c1 ZINC000436752083 861934566 /nfs/dbraw/zinc/93/45/66/861934566.db2.gz PIPMFGNEZJRYIK-CQSZACIVSA-N -1 1 424.419 4.145 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436752157 861935178 /nfs/dbraw/zinc/93/51/78/861935178.db2.gz QLBCONXUIMJISI-UHFFFAOYSA-N -1 1 405.332 4.212 20 0 HIADMM CC(C)c1csc2nc(-c3ccc([O-])c(I)c3)[nH]c(=O)c21 ZINC000436752124 861935652 /nfs/dbraw/zinc/93/56/52/861935652.db2.gz PXKVJCZMYSWZMX-UHFFFAOYSA-N -1 1 412.252 4.498 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]2c2ccccc2)cc1 ZINC000045788048 848729163 /nfs/dbraw/zinc/72/91/63/848729163.db2.gz FCSVUYCBONWVLV-QFIPXVFZSA-N -1 1 406.507 4.383 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N(Cc1ccccc1)C1CC1 ZINC000045892627 848747300 /nfs/dbraw/zinc/74/73/00/848747300.db2.gz OXLSTMKVEXOVON-UHFFFAOYSA-N -1 1 424.497 4.431 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436753398 861938511 /nfs/dbraw/zinc/93/85/11/861938511.db2.gz DIKDQZHMOBJBFV-HXUWFJFHSA-N -1 1 423.419 4.295 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000436757697 861943692 /nfs/dbraw/zinc/94/36/92/861943692.db2.gz WPNKKOFXZMVVCC-UHFFFAOYSA-N -1 1 423.738 4.156 20 0 HIADMM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc2ccccc2c1[O-])CC3 ZINC000436761768 861951280 /nfs/dbraw/zinc/95/12/80/861951280.db2.gz OQSPOVHSMJLDDJ-UHFFFAOYSA-N -1 1 400.434 4.012 20 0 HIADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436766705 861957148 /nfs/dbraw/zinc/95/71/48/861957148.db2.gz SRYUJFZSIJHHGY-PBHICJAKSA-N -1 1 412.486 4.065 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(OC)cc(OC)c3)n2)cc(Br)c1[O-] ZINC000436768980 861961040 /nfs/dbraw/zinc/96/10/40/861961040.db2.gz KCNIQZDTVHWAHJ-UHFFFAOYSA-N -1 1 421.247 4.288 20 0 HIADMM CCCc1cnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436777940 861969639 /nfs/dbraw/zinc/96/96/39/861969639.db2.gz PRYCEQSNSOQWPA-SFHVURJKSA-N -1 1 409.511 4.198 20 0 HIADMM N#C[C@@H](C(=O)CCc1c[nH]c2ccccc12)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047361972 849032507 /nfs/dbraw/zinc/03/25/07/849032507.db2.gz IASVKYFMCPOSIK-INIZCTEOSA-N -1 1 416.506 4.154 20 0 HIADMM N#C[C@@H](C(=O)CCn1ccc2ccccc21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047361994 849032526 /nfs/dbraw/zinc/03/25/26/849032526.db2.gz YWPLRUWMWZUMKG-INIZCTEOSA-N -1 1 416.506 4.085 20 0 HIADMM COc1cccc(OC)c1Oc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cn1 ZINC000436783201 861975693 /nfs/dbraw/zinc/97/56/93/861975693.db2.gz FYYLFOGZDWDJLB-UHFFFAOYSA-N -1 1 414.845 4.180 20 0 HIADMM CC(C)c1ccc(C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)c([O-])c1 ZINC000436810440 861995922 /nfs/dbraw/zinc/99/59/22/861995922.db2.gz ARIIXVCQCHSFEI-UHFFFAOYSA-N -1 1 405.454 4.180 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])[C@H]1CC1(C)C ZINC000436811347 861996777 /nfs/dbraw/zinc/99/67/77/861996777.db2.gz AAKXGZKJRURIHO-KRWDZBQOSA-N -1 1 417.303 4.278 20 0 HIADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000436819457 862003345 /nfs/dbraw/zinc/00/33/45/862003345.db2.gz NSLFUKKUBKXPDD-SFHVURJKSA-N -1 1 407.367 4.145 20 0 HIADMM CC(C)[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C(F)(F)F ZINC000436828842 862009439 /nfs/dbraw/zinc/00/94/39/862009439.db2.gz NVURZAQXTQGSNG-INIZCTEOSA-N -1 1 416.346 4.239 20 0 HIADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)c1 ZINC000050534571 849393055 /nfs/dbraw/zinc/39/30/55/849393055.db2.gz QPIPFLIAEQERMY-UHFFFAOYSA-N -1 1 404.831 4.026 20 0 HIADMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000050534745 849393566 /nfs/dbraw/zinc/39/35/66/849393566.db2.gz CHBWBIZTKFISQJ-UHFFFAOYSA-N -1 1 400.928 4.142 20 0 HIADMM COc1cc(OC)cc(-c2cccc(NC(=O)c3cc(Cl)c([O-])c(OC)c3)n2)c1 ZINC000436837946 862017252 /nfs/dbraw/zinc/01/72/52/862017252.db2.gz LQDMYBCGXITDBS-UHFFFAOYSA-N -1 1 414.845 4.386 20 0 HIADMM CCOc1cccnc1-c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436846347 862023350 /nfs/dbraw/zinc/02/33/50/862023350.db2.gz MJOISCBRTHOCAC-UHFFFAOYSA-N -1 1 406.236 4.064 20 0 HIADMM CC[C@H]1CCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436860516 862039599 /nfs/dbraw/zinc/03/95/99/862039599.db2.gz OYDNGSOPNFAGJR-HNNXBMFYSA-N -1 1 403.276 4.032 20 0 HIADMM O=C(c1ccccc1OC(F)F)N1CCC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436871902 862048327 /nfs/dbraw/zinc/04/83/27/862048327.db2.gz JHIPHVYZMJWHDC-AWEZNQCLSA-N -1 1 419.359 4.160 20 0 HIADMM [O-]c1ccc(-c2noc([C@H]3CCO[C@@H]3c3ccnn3Cc3ccccc3)n2)c(F)c1 ZINC000436873132 862049556 /nfs/dbraw/zinc/04/95/56/862049556.db2.gz LXTVRRZYLXEDMN-PXNSSMCTSA-N -1 1 406.417 4.071 20 0 HIADMM CC(=O)Nc1ccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCCO5)cc3[n-]2)cc1 ZINC000053854378 849768389 /nfs/dbraw/zinc/76/83/89/849768389.db2.gz NTXYNFIINCNEBZ-UHFFFAOYSA-N -1 1 419.462 4.048 20 0 HIADMM COc1cc(-c2noc(-c3ccccc3OC3CC3)n2)cc(Br)c1[O-] ZINC000436877881 862055439 /nfs/dbraw/zinc/05/54/39/862055439.db2.gz IDWGMHDQWGSPFU-UHFFFAOYSA-N -1 1 403.232 4.422 20 0 HIADMM COc1cc(-c2noc([C@H]3CCCc4sc(C)nc43)n2)cc(Br)c1[O-] ZINC000436876451 862055467 /nfs/dbraw/zinc/05/54/67/862055467.db2.gz YXPKXJNZAXXKOS-JTQLQIEISA-N -1 1 422.304 4.446 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3ccncc3)c2)c1 ZINC000054085985 849808433 /nfs/dbraw/zinc/80/84/33/849808433.db2.gz FHSBZKNXTWDXIF-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3ccncc3)c2)cc1 ZINC000054085984 849808702 /nfs/dbraw/zinc/80/87/02/849808702.db2.gz INWPFLZNABNEMU-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM CO[C@@](C)(C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccccc1F ZINC000436882647 862060984 /nfs/dbraw/zinc/06/09/84/862060984.db2.gz UHDLLZHKJHGVSK-HSZRJFAPSA-N -1 1 414.477 4.094 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000054294615 849840945 /nfs/dbraw/zinc/84/09/45/849840945.db2.gz JTYRMNYIZYCGMK-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000054402461 849860357 /nfs/dbraw/zinc/86/03/57/849860357.db2.gz XNBAJXLLJXKPAF-LLVKDONJSA-N -1 1 416.453 4.102 20 0 HIADMM COc1ccccc1-c1nc(C2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)no1 ZINC000436887735 862065715 /nfs/dbraw/zinc/06/57/15/862065715.db2.gz PCPZKBZDEDCZMH-UHFFFAOYSA-N -1 1 413.861 4.124 20 0 HIADMM CN(Cc1cc(Br)ccc1F)C(=O)c1cc(Br)ccc1[O-] ZINC000436894765 862069601 /nfs/dbraw/zinc/06/96/01/862069601.db2.gz SANCQAYBGWVFLJ-UHFFFAOYSA-N -1 1 417.072 4.329 20 0 HIADMM Cn1c(Cc2csc(NC(=O)CCc3ccc4ccccc4c3)n2)n[n-]c1=S ZINC000054709497 849910994 /nfs/dbraw/zinc/91/09/94/849910994.db2.gz REMRDWIAASVLSX-UHFFFAOYSA-N -1 1 409.540 4.249 20 0 HIADMM COCc1ccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCCO5)cc3[n-]2)cc1 ZINC000054755045 849917787 /nfs/dbraw/zinc/91/77/87/849917787.db2.gz AFIVZRKMCDFLKR-UHFFFAOYSA-N -1 1 406.463 4.236 20 0 HIADMM C[C@H]1CCCN(c2nc([O-])c(CC(=O)Nc3ccc(SC(F)F)cc3)s2)C1 ZINC000055117821 849973536 /nfs/dbraw/zinc/97/35/36/849973536.db2.gz IMKRVCGVALWCPS-SMDDNHRTSA-N -1 1 413.515 4.060 20 0 HIADMM CN(C)[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000436902511 862078150 /nfs/dbraw/zinc/07/81/50/862078150.db2.gz QFGFIJIFXRNPLG-HNNXBMFYSA-N -1 1 404.791 4.236 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2C(F)(F)F)cc1C ZINC000055579566 850060378 /nfs/dbraw/zinc/06/03/78/850060378.db2.gz FAYVWBSJLUDDDJ-UHFFFAOYSA-N -1 1 416.421 4.090 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC000055595037 850072022 /nfs/dbraw/zinc/07/20/22/850072022.db2.gz LTZNYJGQPDXNCC-UHFFFAOYSA-N -1 1 411.321 4.215 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1 ZINC000055633192 850085143 /nfs/dbraw/zinc/08/51/43/850085143.db2.gz HGERQCNZLFZTSO-UHFFFAOYSA-N -1 1 415.511 4.202 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000055642718 850087772 /nfs/dbraw/zinc/08/77/72/850087772.db2.gz CLOAGAXDPRTAAH-GJZGRUSLSA-N -1 1 404.507 4.053 20 0 HIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000055648177 850093173 /nfs/dbraw/zinc/09/31/73/850093173.db2.gz NSHRGSSHCLWPOT-UHFFFAOYSA-N -1 1 408.951 4.187 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1)c1ccccc1 ZINC000055650330 850095272 /nfs/dbraw/zinc/09/52/72/850095272.db2.gz QYGQRYUFYZFFHI-UHFFFAOYSA-N -1 1 406.507 4.253 20 0 HIADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1Cl ZINC000055663317 850102939 /nfs/dbraw/zinc/10/29/39/850102939.db2.gz JWGFDGQCEJSPRU-UHFFFAOYSA-N -1 1 419.305 4.319 20 0 HIADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000055663279 850103078 /nfs/dbraw/zinc/10/30/78/850103078.db2.gz IPSULDXSTCLASC-UHFFFAOYSA-N -1 1 406.935 4.015 20 0 HIADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916328 862096387 /nfs/dbraw/zinc/09/63/87/862096387.db2.gz SOHINGMPQBLDAC-MRVPVSSYSA-N -1 1 411.220 4.029 20 0 HIADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916328 862096394 /nfs/dbraw/zinc/09/63/94/862096394.db2.gz SOHINGMPQBLDAC-MRVPVSSYSA-N -1 1 411.220 4.029 20 0 HIADMM Cc1ncsc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000056061798 850236005 /nfs/dbraw/zinc/23/60/05/850236005.db2.gz JLJDOODJGSADGL-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCC2(c3cccc(Cl)c3)CCCC2)c(=O)[n-]1 ZINC000056250269 850297386 /nfs/dbraw/zinc/29/73/86/850297386.db2.gz NZZMIGZMCOEFAP-UHFFFAOYSA-N -1 1 419.978 4.014 20 0 HIADMM COc1ccc([C@H]2CCCN2C(=O)c2cc(Br)ccc2[O-])cc1OC ZINC000436935403 862114663 /nfs/dbraw/zinc/11/46/63/862114663.db2.gz PHHZBPPOYOBFOC-OAHLLOKOSA-N -1 1 406.276 4.149 20 0 HIADMM O=C(NCC(F)(F)c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436937069 862115270 /nfs/dbraw/zinc/11/52/70/862115270.db2.gz WVBYLDHBNNMXOL-HXUWFJFHSA-N -1 1 424.447 4.058 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000436948073 862125644 /nfs/dbraw/zinc/12/56/44/862125644.db2.gz GOBIOLOVXGYIAX-MRXNPFEDSA-N -1 1 414.658 4.161 20 0 HIADMM CCOc1ccc(N(CC)C(=O)c2cc(I)ccc2[O-])cc1 ZINC000436950478 862127966 /nfs/dbraw/zinc/12/79/66/862127966.db2.gz OQHFAJFJXPNCPJ-UHFFFAOYSA-N -1 1 411.239 4.062 20 0 HIADMM C[C@@H]1C[C@H](c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)CCO1 ZINC000436950166 862128733 /nfs/dbraw/zinc/12/87/33/862128733.db2.gz ODLVUDXRYVCFNT-VXGBXAGGSA-N -1 1 415.396 4.255 20 0 HIADMM CN1CCN(c2ccnc(-c3noc(-c4cc(Cl)c5ccccc5c4[O-])n3)c2)CC1 ZINC000436949983 862128767 /nfs/dbraw/zinc/12/87/67/862128767.db2.gz UKDHUFHJUJUFSG-UHFFFAOYSA-N -1 1 421.888 4.063 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CC4(CCC4)C[C@H]3C)c([O-])c2)c1 ZINC000436953974 862133192 /nfs/dbraw/zinc/13/31/92/862133192.db2.gz CMUUJPYGMLALOL-OAHLLOKOSA-N -1 1 424.497 4.066 20 0 HIADMM CO[C@@](C)(c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1)C1CC1 ZINC000436954913 862136909 /nfs/dbraw/zinc/13/69/09/862136909.db2.gz IUVBGLYIHYGZKU-OAQYLSRUSA-N -1 1 415.396 4.244 20 0 HIADMM CCOc1cc(Br)c([N-]S(=O)(=O)c2cccs2)cc1OCC ZINC000057123956 850553545 /nfs/dbraw/zinc/55/35/45/850553545.db2.gz UBIWXUVGENUGHG-UHFFFAOYSA-N -1 1 406.323 4.109 20 0 HIADMM Cc1cnc(-c2cccc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])c2)o1 ZINC000436966917 862145483 /nfs/dbraw/zinc/14/54/83/862145483.db2.gz RKJLXOMUZTVSJF-UHFFFAOYSA-N -1 1 418.409 4.157 20 0 HIADMM C[C@H](CC1CC1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436972369 862151546 /nfs/dbraw/zinc/15/15/46/862151546.db2.gz OAWPBWUUQPCNJL-GFCCVEGCSA-N -1 1 417.303 4.325 20 0 HIADMM O=C(OCc1nc2ccccc2s1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000057542598 850663771 /nfs/dbraw/zinc/66/37/71/850663771.db2.gz YZQZZCJTAKYWFW-UHFFFAOYSA-N -1 1 424.503 4.454 20 0 HIADMM CCN(C(=O)c1cc(I)ccc1[O-])c1ccc2[nH]ccc2c1 ZINC000436983628 862161257 /nfs/dbraw/zinc/16/12/57/862161257.db2.gz XILARVYHKTXHLK-UHFFFAOYSA-N -1 1 406.223 4.145 20 0 HIADMM O=C(c1cc(I)ccc1[O-])N1CCC(c2ccsc2)CC1 ZINC000436984123 862161655 /nfs/dbraw/zinc/16/16/55/862161655.db2.gz YQNRCXDSABNKCI-UHFFFAOYSA-N -1 1 413.280 4.078 20 0 HIADMM CCOc1cc(-c2noc(-c3cncc(OC(C)C)c3)n2)cc(Br)c1[O-] ZINC000436983825 862162854 /nfs/dbraw/zinc/16/28/54/862162854.db2.gz XZRRBWLPCTXEOL-UHFFFAOYSA-N -1 1 420.263 4.453 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N([C@@H](C)C(C)C)C3CC3)cc2)cc1 ZINC000058262969 850789022 /nfs/dbraw/zinc/78/90/22/850789022.db2.gz KAVWHEPLPYRDRP-KRWDZBQOSA-N -1 1 400.544 4.445 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)C1CCCC1 ZINC000058365814 850810056 /nfs/dbraw/zinc/81/00/56/850810056.db2.gz YDYXYABBVXIPHL-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM O=S(=O)(Cc1noc(-c2ccc3ccccc3c2[O-])n1)c1ccc(Cl)cc1 ZINC000436997697 862172296 /nfs/dbraw/zinc/17/22/96/862172296.db2.gz HFLZKMXGAKDXNW-UHFFFAOYSA-N -1 1 400.843 4.223 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccccc3NCC(F)(F)F)c3cccc1c23 ZINC000058494373 850839396 /nfs/dbraw/zinc/83/93/96/850839396.db2.gz AWIMXAJODAXVLJ-UHFFFAOYSA-N -1 1 421.400 4.181 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCCc2cc(F)ccc21 ZINC000059897296 851024776 /nfs/dbraw/zinc/02/47/76/851024776.db2.gz CQBNXTUYJYRNMS-UHFFFAOYSA-N -1 1 410.470 4.220 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c1 ZINC000059994473 851029664 /nfs/dbraw/zinc/02/96/64/851029664.db2.gz OUXAXAZTMYYSGN-UHFFFAOYSA-N -1 1 411.361 4.111 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)ccc1C ZINC000060412011 851090980 /nfs/dbraw/zinc/09/09/80/851090980.db2.gz AOHUANMDZWILDJ-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CCOc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060411944 851091134 /nfs/dbraw/zinc/09/11/34/851091134.db2.gz FMFGKGPZIPEKLL-UHFFFAOYSA-N -1 1 424.522 4.376 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3ccc(F)cc32)cc1 ZINC000060472422 851111373 /nfs/dbraw/zinc/11/13/73/851111373.db2.gz AUURZXUHOFQELH-UHFFFAOYSA-N -1 1 412.490 4.125 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1ccc(Cl)nc1 ZINC000060738744 851200764 /nfs/dbraw/zinc/20/07/64/851200764.db2.gz UVYCSAUUSIXZQB-UHFFFAOYSA-N -1 1 402.838 4.218 20 0 HIADMM COc1ccc(CC[C@@H](C)NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000062931966 851608686 /nfs/dbraw/zinc/60/86/86/851608686.db2.gz BYMXDTNCGBFULQ-QGZVFWFLSA-N -1 1 410.514 4.026 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1 ZINC000063149443 851623495 /nfs/dbraw/zinc/62/34/95/851623495.db2.gz ZTXXMPXKRNMGDH-UHFFFAOYSA-N -1 1 402.516 4.183 20 0 HIADMM CCOc1cccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000063253942 851642426 /nfs/dbraw/zinc/64/24/26/851642426.db2.gz SIBYLOGCFFVBIB-QGZVFWFLSA-N -1 1 424.522 4.377 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](C)CC3)cc2)cc1C ZINC000063275079 851648747 /nfs/dbraw/zinc/64/87/47/851648747.db2.gz SZKWNQSSNKFOGG-INIZCTEOSA-N -1 1 400.544 4.366 20 0 HIADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)Nc1cc(Cl)c(Cl)cc1Cl ZINC000063543321 851710888 /nfs/dbraw/zinc/71/08/88/851710888.db2.gz VDMOUTCYNODTPJ-UHFFFAOYSA-N -1 1 410.587 4.426 20 0 HIADMM CC(C)Cc1nc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cs1 ZINC000063645272 851733007 /nfs/dbraw/zinc/73/30/07/851733007.db2.gz VKBRZOUYRLGRFH-UHFFFAOYSA-N -1 1 415.540 4.395 20 0 HIADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 ZINC000063879535 851784411 /nfs/dbraw/zinc/78/44/11/851784411.db2.gz VLULPQIYHZATTB-UHFFFAOYSA-N -1 1 408.888 4.326 20 0 HIADMM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000063911874 851791168 /nfs/dbraw/zinc/79/11/68/851791168.db2.gz KAIFLXRUBFMIFU-UHFFFAOYSA-N -1 1 413.396 4.448 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911538 851791705 /nfs/dbraw/zinc/79/17/05/851791705.db2.gz BBVGESXILZLRCC-UHFFFAOYSA-N -1 1 418.412 4.127 20 0 HIADMM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)cc2)C[C@H](C)O1 ZINC000064478253 851907825 /nfs/dbraw/zinc/90/78/25/851907825.db2.gz FTWHQHGBAIRWRD-STQMWFEESA-N -1 1 415.342 4.408 20 0 HIADMM Cc1cccc(C2(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)CC2)c1 ZINC000064880771 852013365 /nfs/dbraw/zinc/01/33/65/852013365.db2.gz AEXXGHAZXDNYHE-UHFFFAOYSA-N -1 1 406.507 4.466 20 0 HIADMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937906 852026108 /nfs/dbraw/zinc/02/61/08/852026108.db2.gz BBBUGHZAMLTDIU-UHFFFAOYSA-N -1 1 418.462 4.239 20 0 HIADMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1 ZINC000064938147 852026480 /nfs/dbraw/zinc/02/64/80/852026480.db2.gz CYEIVGRBRVGIIG-MRXNPFEDSA-N -1 1 404.532 4.049 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1NC(C)=O ZINC000064937804 852026504 /nfs/dbraw/zinc/02/65/04/852026504.db2.gz DOXQIHKUPKCKHA-UHFFFAOYSA-N -1 1 420.434 4.066 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)CCc3cc(F)ccc3F)n2)n[n-]c1=S ZINC000065044900 852047613 /nfs/dbraw/zinc/04/76/13/852047613.db2.gz NOGJNFRNLOYNRL-UHFFFAOYSA-N -1 1 421.498 4.023 20 0 HIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000065078981 852056468 /nfs/dbraw/zinc/05/64/68/852056468.db2.gz OTLTZYBWRQPJCY-UHFFFAOYSA-N -1 1 402.560 4.479 20 0 HIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)cc2)n[nH]1 ZINC000065080269 852057162 /nfs/dbraw/zinc/05/71/62/852057162.db2.gz PYPYTABRCQAADY-UHFFFAOYSA-N -1 1 400.504 4.006 20 0 HIADMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000065223404 852089783 /nfs/dbraw/zinc/08/97/83/852089783.db2.gz PKNJFTGMXJRQAL-UHFFFAOYSA-N -1 1 406.935 4.430 20 0 HIADMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000065223490 852089995 /nfs/dbraw/zinc/08/99/95/852089995.db2.gz DDJVIBFXDOHUTL-UHFFFAOYSA-N -1 1 412.555 4.347 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 ZINC000065321558 852104424 /nfs/dbraw/zinc/10/44/24/852104424.db2.gz VQMJNKOQMDYCMH-UHFFFAOYSA-N -1 1 423.517 4.286 20 0 HIADMM CC[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCS1 ZINC000437141349 862333449 /nfs/dbraw/zinc/33/34/49/862333449.db2.gz BXYNBVYZALAUOF-IBGZPJMESA-N -1 1 418.584 4.072 20 0 HIADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc(-c2cccc(Cl)c2)ns1 ZINC000065813142 852265728 /nfs/dbraw/zinc/26/57/28/852265728.db2.gz DIUQFLWCBCAYNJ-UHFFFAOYSA-N -1 1 411.874 4.305 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000065899209 852308305 /nfs/dbraw/zinc/30/83/05/852308305.db2.gz MIGHTOGRYGZDEU-UHFFFAOYSA-N -1 1 403.529 4.434 20 0 HIADMM C#CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)C1CCCCC1 ZINC000065912227 852312634 /nfs/dbraw/zinc/31/26/34/852312634.db2.gz VLPKCMDUHBWVPY-UHFFFAOYSA-N -1 1 410.539 4.204 20 0 HIADMM CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(Br)cc1[O-])CC2 ZINC000066042260 852363616 /nfs/dbraw/zinc/36/36/16/852363616.db2.gz JQKHDUZQHRAFJG-UHFFFAOYSA-N -1 1 420.303 4.151 20 0 HIADMM COc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000068855485 852373801 /nfs/dbraw/zinc/37/38/01/852373801.db2.gz NZZGPRPPNACZKF-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCC1CCCCC1 ZINC000068898853 852375691 /nfs/dbraw/zinc/37/56/91/852375691.db2.gz DTGLYTASZSTYJI-UHFFFAOYSA-N -1 1 404.507 4.245 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NC1CCCCCCC1 ZINC000068927486 852376995 /nfs/dbraw/zinc/37/69/95/852376995.db2.gz MWPFDLZMOUOPJX-UHFFFAOYSA-N -1 1 418.534 4.398 20 0 HIADMM Cc1c(=O)c2cccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c2oc1-c1ccccc1 ZINC000071845309 852416861 /nfs/dbraw/zinc/41/68/61/852416861.db2.gz BGXMGFLHQADGMQ-UHFFFAOYSA-N -1 1 414.343 4.158 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cc(Br)cn2)cc1C ZINC000071905877 852427516 /nfs/dbraw/zinc/42/75/16/852427516.db2.gz MTEICZKEZLSRIJ-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CC=C(c4c[nH]c5cc(F)ccc54)CC3)cnc2n1 ZINC000071959946 852446538 /nfs/dbraw/zinc/44/65/38/852446538.db2.gz VFHPDFHIRWLQGW-UHFFFAOYSA-N -1 1 402.429 4.194 20 0 HIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC=C(c3c[nH]c4cc(F)ccc43)CC1)c2=O ZINC000071959946 852446543 /nfs/dbraw/zinc/44/65/43/852446543.db2.gz VFHPDFHIRWLQGW-UHFFFAOYSA-N -1 1 402.429 4.194 20 0 HIADMM CCO[C@@H](CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000072027946 852472311 /nfs/dbraw/zinc/47/23/11/852472311.db2.gz CWHXWQWOXATVRN-KRWDZBQOSA-N -1 1 410.923 4.203 20 0 HIADMM O=S(=O)([N-]c1cc(Br)ccc1F)c1cnc(Cl)c(Cl)c1 ZINC000083928887 852543975 /nfs/dbraw/zinc/54/39/75/852543975.db2.gz GKURYCKMJVPGJM-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM COc1cccc2cc(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)oc21 ZINC000097326357 852601569 /nfs/dbraw/zinc/60/15/69/852601569.db2.gz TVOMMTGVVQISON-UHFFFAOYSA-N -1 1 422.462 4.495 20 0 HIADMM O=C(CCOc1cccc(Cl)c1)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000097550991 852629137 /nfs/dbraw/zinc/62/91/37/852629137.db2.gz QNHHJZYJMHJOEG-UHFFFAOYSA-N -1 1 406.939 4.104 20 0 HIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 ZINC000097555112 852631181 /nfs/dbraw/zinc/63/11/81/852631181.db2.gz GJIRJXYDYQNXQV-UHFFFAOYSA-N -1 1 408.955 4.350 20 0 HIADMM O=c1[n-]c(Sc2nnc(-c3ccccc3Cl)o2)nc2c1cnn2-c1ccccc1 ZINC000097577860 852638031 /nfs/dbraw/zinc/63/80/31/852638031.db2.gz AGCDNIJKEQQPAV-UHFFFAOYSA-N -1 1 422.857 4.376 20 0 HIADMM CSc1nc(C)c(CCC(=O)Oc2c(Cl)cc(Cl)cc2Cl)c(=O)[n-]1 ZINC000105438352 852705344 /nfs/dbraw/zinc/70/53/44/852705344.db2.gz QFCWXTVOJWTLIT-UHFFFAOYSA-N -1 1 407.706 4.299 20 0 HIADMM O=C(NCc1cccc(F)c1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000105848752 852733600 /nfs/dbraw/zinc/73/36/00/852733600.db2.gz STIKYZHJIJTOPU-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(OC(F)F)c2)cc1 ZINC000108168020 852826718 /nfs/dbraw/zinc/82/67/18/852826718.db2.gz DOEFDAHOVYPLGN-UHFFFAOYSA-N -1 1 420.441 4.246 20 0 HIADMM CCOc1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000108481020 852854816 /nfs/dbraw/zinc/85/48/16/852854816.db2.gz WQEPUGQZNKBBBS-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@H]2c2ccccc2C)cc1 ZINC000108533165 852856329 /nfs/dbraw/zinc/85/63/29/852856329.db2.gz CCFPTXMIEDJBBW-IBGZPJMESA-N -1 1 408.527 4.288 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N(C)CCCOc2ccccc2C)cc1 ZINC000108580781 852861824 /nfs/dbraw/zinc/86/18/24/852861824.db2.gz KWGOUQNAOWKKKK-UHFFFAOYSA-N -1 1 410.543 4.152 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nnc(C(C)(C)C)s2)c1 ZINC000108573841 852861941 /nfs/dbraw/zinc/86/19/41/852861941.db2.gz ASAJRFSGNHJQMH-UHFFFAOYSA-N -1 1 402.549 4.094 20 0 HIADMM CCc1nc2cc(NC(=O)CCn3c(=S)[n-]nc3-c3ccc(OC)cc3)ccc2o1 ZINC000108590177 852862867 /nfs/dbraw/zinc/86/28/67/852862867.db2.gz RSOCGYZRARHDJH-UHFFFAOYSA-N -1 1 423.498 4.349 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnc(C(C)(C)C)nc3)cc2)cc1 ZINC000109125760 852924624 /nfs/dbraw/zinc/92/46/24/852924624.db2.gz QKJGIEYUVIGNBQ-UHFFFAOYSA-N -1 1 424.526 4.136 20 0 HIADMM COc1ccc(CC[C@@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000109311675 852951170 /nfs/dbraw/zinc/95/11/70/852951170.db2.gz PJRAJUJIFBULBE-CQSZACIVSA-N -1 1 416.572 4.205 20 0 HIADMM O=C(Nc1ccncc1)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000110027535 853050516 /nfs/dbraw/zinc/05/05/16/853050516.db2.gz MAPFBKROCCBMCI-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM O=C(NCc1ccc(Cl)s1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110227685 853075994 /nfs/dbraw/zinc/07/59/94/853075994.db2.gz HXZVOTDZMATLTQ-KRWDZBQOSA-N -1 1 414.914 4.181 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(-c3csnn3)cc2)cc1 ZINC000111085483 853198776 /nfs/dbraw/zinc/19/87/76/853198776.db2.gz YSJUDKBUZRMTCA-UHFFFAOYSA-N -1 1 422.539 4.463 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C(C)C)c2)cc1 ZINC000115906694 853271514 /nfs/dbraw/zinc/27/15/14/853271514.db2.gz NCMQQFAAKNDAHI-OAQYLSRUSA-N -1 1 416.543 4.147 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(COCC2CC2)c1 ZINC000115942340 853273412 /nfs/dbraw/zinc/27/34/12/853273412.db2.gz BJMRQQLUFNSBEJ-UHFFFAOYSA-N -1 1 400.529 4.234 20 0 HIADMM C[C@@H](Cc1ccccc1F)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000116612598 853319282 /nfs/dbraw/zinc/31/92/82/853319282.db2.gz MPBCEPBIXFLKRJ-KSFYIVLOSA-N -1 1 420.484 4.037 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Br)s1 ZINC000138838062 853396317 /nfs/dbraw/zinc/39/63/17/853396317.db2.gz HFRSCEMQFKHIEC-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(COCC3CC3)c2)cc1 ZINC000139924930 853426695 /nfs/dbraw/zinc/42/66/95/853426695.db2.gz JYGUSEZGWBSTJU-UHFFFAOYSA-N -1 1 408.527 4.481 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000142081269 853487149 /nfs/dbraw/zinc/48/71/49/853487149.db2.gz TWHKILVLVMZULA-OAHLLOKOSA-N -1 1 400.529 4.129 20 0 HIADMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(-c2ccc(C)cc2C)s1 ZINC000147128312 853582623 /nfs/dbraw/zinc/58/26/23/853582623.db2.gz OADZOTLDKXIIMT-MRXNPFEDSA-N -1 1 405.479 4.397 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000195561511 853684671 /nfs/dbraw/zinc/68/46/71/853684671.db2.gz JOZQEOAWHFEBGG-ZETCQYMHSA-N -1 1 411.213 4.219 20 0 HIADMM Cc1ncc(COC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)s1 ZINC000195581167 853694598 /nfs/dbraw/zinc/69/45/98/853694598.db2.gz FQFWVYYKSYJUDH-UHFFFAOYSA-N -1 1 416.524 4.226 20 0 HIADMM COc1cccc([C@H](C)C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000195607629 853711085 /nfs/dbraw/zinc/71/10/85/853711085.db2.gz COYRKAISGLWKOV-INIZCTEOSA-N -1 1 410.495 4.238 20 0 HIADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000195667268 853747273 /nfs/dbraw/zinc/74/72/73/853747273.db2.gz PCHHXSLZZQMFBE-WBVHZDCISA-N -1 1 404.507 4.183 20 0 HIADMM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000209991789 853812696 /nfs/dbraw/zinc/81/26/96/853812696.db2.gz YRKLSZVCGVDHTO-IZZDOVSWSA-N -1 1 403.838 4.342 20 0 HIADMM COCCn1c2ccc(Cl)cc2nc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000216288752 853849260 /nfs/dbraw/zinc/84/92/60/853849260.db2.gz QYBFUXXIAGVNSE-UHFFFAOYSA-N -1 1 416.886 4.440 20 0 HIADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)c1ccccc1Cl ZINC000230886294 853896078 /nfs/dbraw/zinc/89/60/78/853896078.db2.gz MFWCREBZPNEWHS-VIFPVBQESA-N -1 1 401.631 4.141 20 0 HIADMM O=C(NC1(c2ccccc2)CCC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000247732304 854160349 /nfs/dbraw/zinc/16/03/49/854160349.db2.gz ILWMSLIEMPIYLO-UHFFFAOYSA-N -1 1 424.497 4.436 20 0 HIADMM Cc1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2)cc1C ZINC000248109796 854179690 /nfs/dbraw/zinc/17/96/90/854179690.db2.gz NBVKTJYXKUWIRK-UHFFFAOYSA-N -1 1 412.536 4.354 20 0 HIADMM Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000248122075 854180763 /nfs/dbraw/zinc/18/07/63/854180763.db2.gz YECUAJPGUBEBMR-UHFFFAOYSA-N -1 1 412.375 4.237 20 0 HIADMM C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261369461 854236138 /nfs/dbraw/zinc/23/61/38/854236138.db2.gz XQZHCCGSYSEKDQ-AWEZNQCLSA-N -1 1 420.431 4.333 20 0 HIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)Nc1cccc(Br)c1 ZINC000261385830 854242891 /nfs/dbraw/zinc/24/28/91/854242891.db2.gz BPMAZXAVKHNLIF-ZETCQYMHSA-N -1 1 422.226 4.083 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccc(C(=O)N4CCCCC4)cc3)nc2)[n-]c(=O)c1C ZINC000301348180 854367176 /nfs/dbraw/zinc/36/71/76/854367176.db2.gz IWWQOUWCFPEVFF-UHFFFAOYSA-N -1 1 417.513 4.099 20 0 HIADMM O=c1[n-]c(Sc2nc(-c3ccc(F)cc3)c[nH]2)nc2c1cnn2-c1ccccc1 ZINC000301373132 854374846 /nfs/dbraw/zinc/37/48/46/854374846.db2.gz WFTNZYQTNMHTSL-UHFFFAOYSA-N -1 1 404.430 4.202 20 0 HIADMM Cc1nc(-c2ccc(NC[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc2)[n-]c(=O)c1C ZINC000301377044 854375390 /nfs/dbraw/zinc/37/53/90/854375390.db2.gz RTHIHVDACBOFLL-KRWDZBQOSA-N -1 1 413.522 4.063 20 0 HIADMM COc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1OC(F)F ZINC000301385690 854378816 /nfs/dbraw/zinc/37/88/16/854378816.db2.gz WVEFJVNHBMELOR-UHFFFAOYSA-N -1 1 402.401 4.083 20 0 HIADMM Cc1nc(-c2ccc(NC[C@@H](O)c3cc(Cl)cc(Cl)c3)nc2)[n-]c(=O)c1C ZINC000301400600 854382415 /nfs/dbraw/zinc/38/24/15/854382415.db2.gz PUAZVKRCIWSUHY-MRXNPFEDSA-N -1 1 405.285 4.313 20 0 HIADMM Cc1nc(-c2ccc(N3CCC[C@H](c4nc5ccccc5o4)C3)nc2)[n-]c(=O)c1C ZINC000301503507 854408733 /nfs/dbraw/zinc/40/87/33/854408733.db2.gz FYVQKXVBTJYGJE-KRWDZBQOSA-N -1 1 401.470 4.386 20 0 HIADMM COc1ccc(OC)c([C@@H]2CCCN2c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000301505009 854408982 /nfs/dbraw/zinc/40/89/82/854408982.db2.gz GNHRTGKUTWQDBP-IBGZPJMESA-N -1 1 406.486 4.220 20 0 HIADMM Cc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c(OC[C@@H]2CCCO2)c1 ZINC000301638779 854435498 /nfs/dbraw/zinc/43/54/98/854435498.db2.gz XVWCMOLCYHGERX-FQEVSTJZSA-N -1 1 420.513 4.339 20 0 HIADMM Cc1nc(-c2ccc(N[C@H](c3ccc4c(c3)OCCO4)C(C)C)nc2)[n-]c(=O)c1C ZINC000301742976 854456421 /nfs/dbraw/zinc/45/64/21/854456421.db2.gz VPEQAZPFZORCNM-NRFANRHFSA-N -1 1 406.486 4.441 20 0 HIADMM C[C@@H](c1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1)N1CCOCC1 ZINC000437309813 862571092 /nfs/dbraw/zinc/57/10/92/862571092.db2.gz OIYUBSXWOGZIFJ-KRWDZBQOSA-N -1 1 402.560 4.178 20 0 HIADMM O=C(Nc1ccccc1O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000301996142 854512205 /nfs/dbraw/zinc/51/22/05/854512205.db2.gz GRGAQCVGXQQXCO-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)CCC(C)C)c2)cc1 ZINC000301996618 854512884 /nfs/dbraw/zinc/51/28/84/854512884.db2.gz MECYLDGCPGNTFH-MRXNPFEDSA-N -1 1 404.532 4.051 20 0 HIADMM Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000302220136 854552941 /nfs/dbraw/zinc/55/29/41/854552941.db2.gz FFGALVMMHKQQBP-UHFFFAOYSA-N -1 1 412.375 4.237 20 0 HIADMM Clc1ccc(-c2cn3nc([N-]c4cnn(C[C@H]5CCCO5)c4)sc3n2)cc1 ZINC000302507871 854577892 /nfs/dbraw/zinc/57/78/92/854577892.db2.gz NGWJEUTUEFKENU-OAHLLOKOSA-N -1 1 400.895 4.230 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)nc2)[n-]c(=O)c1C ZINC000302513535 854579348 /nfs/dbraw/zinc/57/93/48/854579348.db2.gz UKJMJHVSYRZDMB-SJORKVTESA-N -1 1 413.522 4.109 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccccc2C(C)(C)C)C[C@H](C)O1 ZINC000437319552 862585915 /nfs/dbraw/zinc/58/59/15/862585915.db2.gz ATUJPPCZLOKVKS-CALCHBBNSA-N -1 1 402.560 4.399 20 0 HIADMM CC(C)Cc1nnc([N-]C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)s1 ZINC000303030235 854730805 /nfs/dbraw/zinc/73/08/05/854730805.db2.gz PNKLBRWFLBKFQX-UHFFFAOYSA-N -1 1 402.911 4.100 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@@H]1C1CCC1 ZINC000303187832 854808130 /nfs/dbraw/zinc/80/81/30/854808130.db2.gz LUOGWFFHSSHNTE-HXUWFJFHSA-N -1 1 402.491 4.031 20 0 HIADMM COc1cc(F)c(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1OC ZINC000303309181 854864835 /nfs/dbraw/zinc/86/48/35/854864835.db2.gz OLCDQTJEZSYTMK-UHFFFAOYSA-N -1 1 416.478 4.101 20 0 HIADMM CN1CCCc2cc(NC(=O)Cn3c(=S)[n-]nc3-c3ccc(Cl)cc3)ccc21 ZINC000303366210 854894642 /nfs/dbraw/zinc/89/46/42/854894642.db2.gz KINXQKNTQKWLSV-UHFFFAOYSA-N -1 1 413.934 4.282 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(N2CCCC2)c(F)c1)c1ccc(Br)cc1 ZINC000303414674 854917201 /nfs/dbraw/zinc/91/72/01/854917201.db2.gz VVPNZDZINZJWHS-UHFFFAOYSA-N -1 1 417.275 4.128 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2cccc(C)c2)Cc2ccccn2)c(=O)[n-]1 ZINC000303542066 855027683 /nfs/dbraw/zinc/02/76/83/855027683.db2.gz UFFUCGUHIPDIBT-UHFFFAOYSA-N -1 1 422.554 4.078 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4c(ccn4CC(C)C)c3)cc21 ZINC000303623559 855083659 /nfs/dbraw/zinc/08/36/59/855083659.db2.gz NLXNNOCENFDGCX-UHFFFAOYSA-N -1 1 411.527 4.007 20 0 HIADMM CC(C)[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccn1 ZINC000303677280 855125967 /nfs/dbraw/zinc/12/59/67/855125967.db2.gz YEMRYAIPAOBSJG-NRFANRHFSA-N -1 1 410.495 4.437 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](Cc2ccccc2)c2cccs2)c(=O)[n-]1 ZINC000303694804 855138202 /nfs/dbraw/zinc/13/82/02/855138202.db2.gz WCJSYDDLRWSZJM-QGZVFWFLSA-N -1 1 413.568 4.307 20 0 HIADMM COc1ccc([C@H](C)CCNC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000303821452 855222657 /nfs/dbraw/zinc/22/26/57/855222657.db2.gz ABVYKRSZRBYOOH-MRXNPFEDSA-N -1 1 410.543 4.235 20 0 HIADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)c1ccncc1 ZINC000303923423 855293731 /nfs/dbraw/zinc/29/37/31/855293731.db2.gz OOTYBBKHAPZVSY-OAQYLSRUSA-N -1 1 409.511 4.072 20 0 HIADMM CC(C)(NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc(F)c1 ZINC000303926201 855294993 /nfs/dbraw/zinc/29/49/93/855294993.db2.gz WNZVJIKXFABGGW-UHFFFAOYSA-N -1 1 412.486 4.292 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000303959229 855321738 /nfs/dbraw/zinc/32/17/38/855321738.db2.gz WBIJUJRHHIEGDC-IBGZPJMESA-N -1 1 406.555 4.397 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1c(Cl)cccc1Br ZINC000314084416 855374880 /nfs/dbraw/zinc/37/48/80/855374880.db2.gz WQELFULBBAPONH-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1c(Cl)nc2ccccn21 ZINC000316901689 855380562 /nfs/dbraw/zinc/38/05/62/855380562.db2.gz UGRHGRVVRWGAOK-UHFFFAOYSA-N -1 1 421.103 4.204 20 0 HIADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000318150017 855382137 /nfs/dbraw/zinc/38/21/37/855382137.db2.gz VYMOEQOJGSSSOI-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM O=C(Nc1ccccc1OC(F)(F)F)c1ccc(I)c([O-])c1 ZINC000318919385 855385225 /nfs/dbraw/zinc/38/52/25/855385225.db2.gz XDSNVQWBTXFCFZ-UHFFFAOYSA-N -1 1 423.128 4.148 20 0 HIADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1Cl ZINC000319310770 855385366 /nfs/dbraw/zinc/38/53/66/855385366.db2.gz DZIIPVKVPUNKMW-UHFFFAOYSA-N -1 1 407.692 4.108 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2Br)sc1Cl ZINC000319043955 855385487 /nfs/dbraw/zinc/38/54/87/855385487.db2.gz SYNAQVJTDMRGFZ-UHFFFAOYSA-N -1 1 418.725 4.216 20 0 HIADMM Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000322784468 855393477 /nfs/dbraw/zinc/39/34/77/855393477.db2.gz NZLOKWBJFDMOQT-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1Cl ZINC000323112937 855394326 /nfs/dbraw/zinc/39/43/26/855394326.db2.gz PSCNKXWACYROFD-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)cc2)co1 ZINC000325681266 855404572 /nfs/dbraw/zinc/40/45/72/855404572.db2.gz ALSFISMXTTXLEB-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1c(Cl)nc2ccccn21 ZINC000327364360 855416339 /nfs/dbraw/zinc/41/63/39/855416339.db2.gz JGPVVEWOADGYNX-UHFFFAOYSA-N -1 1 410.204 4.461 20 0 HIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000386227635 855443006 /nfs/dbraw/zinc/44/30/06/855443006.db2.gz GLXXXRCKMQLEQQ-UHFFFAOYSA-N -1 1 405.657 4.120 20 0 HIADMM COc1cc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)ccc1C(=O)[O-] ZINC000393158166 855468106 /nfs/dbraw/zinc/46/81/06/855468106.db2.gz IENFUCQCDOVDBD-UHFFFAOYSA-N -1 1 404.271 4.118 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c2n[nH]cc21 ZINC000409991690 855766734 /nfs/dbraw/zinc/76/67/34/855766734.db2.gz HTTDKHIIBBBYRY-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM COc1cccc(Cc2nnc([N-]C(=O)c3c(C)onc3-c3ccccc3)s2)c1 ZINC000410286343 855903686 /nfs/dbraw/zinc/90/36/86/855903686.db2.gz ADLYSJVMKIQIOL-UHFFFAOYSA-N -1 1 406.467 4.353 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)c(C(F)(F)F)c1 ZINC000410336676 855935578 /nfs/dbraw/zinc/93/55/78/855935578.db2.gz IRIMZURAOPDHKL-UHFFFAOYSA-N -1 1 400.422 4.223 20 0 HIADMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000437399516 862741882 /nfs/dbraw/zinc/74/18/82/862741882.db2.gz BRYQJCFERNDZIU-XGAFWQRZSA-N -1 1 424.497 4.303 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)cc1 ZINC000410404533 855978241 /nfs/dbraw/zinc/97/82/41/855978241.db2.gz HLOHFMKWOGJOET-UHFFFAOYSA-N -1 1 403.548 4.180 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437403974 862755272 /nfs/dbraw/zinc/75/52/72/862755272.db2.gz ATRZJHZPCMBALR-CTYIDZIISA-N -1 1 407.436 4.483 20 0 HIADMM CCSc1cccc(-c2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)c1 ZINC000426586724 856361204 /nfs/dbraw/zinc/36/12/04/856361204.db2.gz MZNSLNMEGYIAJO-UHFFFAOYSA-N -1 1 407.517 4.185 20 0 HIADMM CCOc1cc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)cc(Br)c1OC ZINC000426791534 856480689 /nfs/dbraw/zinc/48/06/89/856480689.db2.gz FQODSGZPPPKSCF-AWEZNQCLSA-N -1 1 412.280 4.063 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Br)c(C)c2)c1OC ZINC000426818909 856496732 /nfs/dbraw/zinc/49/67/32/856496732.db2.gz GSTMRRMROQGOSB-MRXNPFEDSA-N -1 1 408.292 4.080 20 0 HIADMM CCOc1cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)ccc1OC(F)F ZINC000426827643 856502137 /nfs/dbraw/zinc/50/21/37/856502137.db2.gz IPIRDTRCELSRTI-HNNXBMFYSA-N -1 1 401.356 4.271 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437441301 862810449 /nfs/dbraw/zinc/81/04/49/862810449.db2.gz WGUVPHPBFNSJAE-UAPYVXQJSA-N -1 1 422.916 4.201 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000426972288 856571746 /nfs/dbraw/zinc/57/17/46/856571746.db2.gz NRWAETIWZWILOF-CDMIOBSGSA-N -1 1 416.525 4.278 20 0 HIADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000427078139 856623499 /nfs/dbraw/zinc/62/34/99/856623499.db2.gz CJPCECNAJBFION-UHFFFAOYSA-N -1 1 420.490 4.259 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(NC(=O)C(C)C)ccc3C)cc2s1 ZINC000427124429 856653252 /nfs/dbraw/zinc/65/32/52/856653252.db2.gz RMFQJKXXERVVKC-UHFFFAOYSA-N -1 1 403.529 4.308 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(O[C@@H]4CCCC[C@@H]4O)cc3)cc2s1 ZINC000427250003 856735713 /nfs/dbraw/zinc/73/57/13/856735713.db2.gz MYJARFJPORQTJR-RBUKOAKNSA-N -1 1 418.540 4.088 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000427320442 856769923 /nfs/dbraw/zinc/76/99/23/856769923.db2.gz LWJOOEYTZYKBJN-OALUTQOASA-N -1 1 412.555 4.366 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000427346007 856784370 /nfs/dbraw/zinc/78/43/70/856784370.db2.gz HJMDZIDQLFJUPN-IRXDYDNUSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1ccc2nc([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Br)[nH]c2c1 ZINC000427628361 856892637 /nfs/dbraw/zinc/89/26/37/856892637.db2.gz DRDYHMGOOHVZOX-UHFFFAOYSA-N -1 1 418.675 4.227 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc2cccnc21 ZINC000427630252 856892713 /nfs/dbraw/zinc/89/27/13/856892713.db2.gz RJAQFFCPZJCUMA-UHFFFAOYSA-N -1 1 411.508 4.476 20 0 HIADMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000437496099 862852570 /nfs/dbraw/zinc/85/25/70/862852570.db2.gz AVTINXDFQJCUAJ-XGAFWQRZSA-N -1 1 424.497 4.303 20 0 HIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cccc(OC(F)(F)F)c1F ZINC000427791759 856956695 /nfs/dbraw/zinc/95/66/95/856956695.db2.gz XUEMOFIFKOVYFN-UHFFFAOYSA-N -1 1 422.375 4.264 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCS1 ZINC000427919654 857007733 /nfs/dbraw/zinc/00/77/33/857007733.db2.gz ZDIGCXJRXVXJCZ-AWEZNQCLSA-N -1 1 424.975 4.108 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCS[C@@H](C)CC3)cc2)cc1C ZINC000427926162 857011044 /nfs/dbraw/zinc/01/10/44/857011044.db2.gz VRUDRPVWLTXDGV-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000428103369 857072978 /nfs/dbraw/zinc/07/29/78/857072978.db2.gz YMOOMDNNAILRNF-PIIMJCKOSA-N -1 1 424.444 4.035 20 0 HIADMM O=C(NCc1ccnc(Oc2ccccc2F)c1)c1ccc(Br)c([O-])c1 ZINC000428207827 857111109 /nfs/dbraw/zinc/11/11/09/857111109.db2.gz WIYRGDMQNFTMCM-UHFFFAOYSA-N -1 1 417.234 4.411 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cnn([C@@H](C)C4CC4)c3)c2)c1 ZINC000428212766 857114063 /nfs/dbraw/zinc/11/40/63/857114063.db2.gz XIPAEGWIZOTNRX-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000428706043 857303282 /nfs/dbraw/zinc/30/32/82/857303282.db2.gz HPAOLMPDVCLUJB-ZJUUUORDSA-N -1 1 400.331 4.409 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ncc(F)cc1F ZINC000429443421 857672455 /nfs/dbraw/zinc/67/24/55/857672455.db2.gz AVBVBWUNPLUCOB-UHFFFAOYSA-N -1 1 423.828 4.066 20 0 HIADMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000429824435 857898637 /nfs/dbraw/zinc/89/86/37/857898637.db2.gz LCZRJSBPIFAJBY-UHFFFAOYSA-N -1 1 423.785 4.335 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)on1 ZINC000429836356 857903197 /nfs/dbraw/zinc/90/31/97/857903197.db2.gz ADIVPCXTVCUIQO-UHFFFAOYSA-N -1 1 421.744 4.473 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1nc(Cc2ccccc2)no1 ZINC000429857767 857913518 /nfs/dbraw/zinc/91/35/18/857913518.db2.gz GQBPLLSCRIBLCJ-LLVKDONJSA-N -1 1 412.298 4.007 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)c2)cc1 ZINC000430474194 858186038 /nfs/dbraw/zinc/18/60/38/858186038.db2.gz DOPIPCDNFXDDFN-QFBILLFUSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)cc1 ZINC000430477174 858187105 /nfs/dbraw/zinc/18/71/05/858187105.db2.gz KPBFJYKHXNBUCH-KUHUBIRLSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1ccc(O)cc1F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430568745 858221950 /nfs/dbraw/zinc/22/19/50/858221950.db2.gz XACSRGVOPSHPOE-UHFFFAOYSA-N -1 1 411.614 4.041 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1 ZINC000430663578 858257050 /nfs/dbraw/zinc/25/70/50/858257050.db2.gz GIZCPUWQSQIXQI-UHFFFAOYSA-N -1 1 407.651 4.210 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000431043099 858415212 /nfs/dbraw/zinc/41/52/12/858415212.db2.gz AOQNDCSMKAFDJT-JLCFBVMHSA-N -1 1 420.488 4.064 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000431182139 858492186 /nfs/dbraw/zinc/49/21/86/858492186.db2.gz MHXPEVSZKRWILZ-IBGZPJMESA-N -1 1 419.547 4.284 20 0 HIADMM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)CC2 ZINC000431341133 858572515 /nfs/dbraw/zinc/57/25/15/858572515.db2.gz GRCPTCLYTKFNAB-OAQYLSRUSA-N -1 1 422.506 4.165 20 0 HIADMM CCc1onc(C)c1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431445324 858619619 /nfs/dbraw/zinc/61/96/19/858619619.db2.gz MPJUJLJNJOPYQU-UHFFFAOYSA-N -1 1 404.058 4.028 20 0 HIADMM C[C@H]1CC[C@@H](CCC(=O)Nc2cc([O-])c(Br)cc2Br)O1 ZINC000431455082 858625521 /nfs/dbraw/zinc/62/55/21/858625521.db2.gz AUCHCYUMURQLDI-IUCAKERBSA-N -1 1 407.102 4.203 20 0 HIADMM CCCOc1cccc(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000431655463 858716990 /nfs/dbraw/zinc/71/69/90/858716990.db2.gz YNGFEJZBSILQSM-UHFFFAOYSA-N -1 1 424.522 4.457 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431919063 858870395 /nfs/dbraw/zinc/87/03/95/858870395.db2.gz ONUBHDNOZYZHBS-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM Cc1ccc(NC(=O)c2cc(O)ccc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000431990488 858907655 /nfs/dbraw/zinc/90/76/55/858907655.db2.gz BDTKJCLDYOUYIC-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM Cc1c(COc2ccccc2)cccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000432183532 859034905 /nfs/dbraw/zinc/03/49/05/859034905.db2.gz ZLWHZSVJZUHMFH-UHFFFAOYSA-N -1 1 420.490 4.216 20 0 HIADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000432617806 859256891 /nfs/dbraw/zinc/25/68/91/859256891.db2.gz OPNDPCHJRAZUHG-CQSZACIVSA-N -1 1 420.481 4.170 20 0 HIADMM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1F ZINC000432649670 859273258 /nfs/dbraw/zinc/27/32/58/859273258.db2.gz TXKUXKYDPPLYQE-UHFFFAOYSA-N -1 1 413.190 4.111 20 0 HIADMM COC(=O)c1cnc(S[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)[n-]1 ZINC000432662620 859278910 /nfs/dbraw/zinc/27/89/10/859278910.db2.gz ZOPJGHNGOVPKGJ-CYBMUJFWSA-N -1 1 402.303 4.259 20 0 HIADMM COC(=O)c1c[n-]c(S[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)n1 ZINC000432662620 859278917 /nfs/dbraw/zinc/27/89/17/859278917.db2.gz ZOPJGHNGOVPKGJ-CYBMUJFWSA-N -1 1 402.303 4.259 20 0 HIADMM CCn1c2ccccc2c2cc(NC(=O)CSc3nc(C(=O)OC)c[n-]3)ccc21 ZINC000432672525 859283954 /nfs/dbraw/zinc/28/39/54/859283954.db2.gz UDTAQJSZNZWGOP-UHFFFAOYSA-N -1 1 408.483 4.055 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[n-]c1=O ZINC000432701361 859304213 /nfs/dbraw/zinc/30/42/13/859304213.db2.gz YNDNDFNGKCRVDY-BENRWUELSA-N -1 1 418.375 4.124 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c(C(F)(F)F)c1 ZINC000432768238 859347332 /nfs/dbraw/zinc/34/73/32/859347332.db2.gz OCHQTZBZQRUSRG-UHFFFAOYSA-N -1 1 409.813 4.485 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2C)cc1Cl ZINC000432770863 859351965 /nfs/dbraw/zinc/35/19/65/859351965.db2.gz XZDFJXFIUHRBFO-UHFFFAOYSA-N -1 1 422.934 4.002 20 0 HIADMM CCC[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1nn[n-]n1 ZINC000467638505 881435469 /nfs/dbraw/zinc/43/54/69/881435469.db2.gz FOKQQNJXZHHFCC-AWEZNQCLSA-N -1 1 424.555 4.252 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1 ZINC000433507723 859741260 /nfs/dbraw/zinc/74/12/60/859741260.db2.gz CWDHDHGSTHRPQO-UHFFFAOYSA-N -1 1 415.902 4.351 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1cc(Br)sc1Cl ZINC000433663022 859829246 /nfs/dbraw/zinc/82/92/46/859829246.db2.gz GJRZUDAFTLNTJX-VIFPVBQESA-N -1 1 422.753 4.009 20 0 HIADMM Cc1cc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000434334521 860296613 /nfs/dbraw/zinc/29/66/13/860296613.db2.gz RBSXDAPTDQPBQC-OPAMFIHVSA-N -1 1 420.484 4.475 20 0 HIADMM COc1ccc(NC(=O)c2sc3ccc(C)cc3c2C)cc1[N-]S(C)(=O)=O ZINC000434357754 860308953 /nfs/dbraw/zinc/30/89/53/860308953.db2.gz MLFDYLBZYDNJMZ-UHFFFAOYSA-N -1 1 404.513 4.151 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000434565934 860404250 /nfs/dbraw/zinc/40/42/50/860404250.db2.gz LKSUJCGXZPYOOP-FQEVSTJZSA-N -1 1 402.498 4.024 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000434972561 860582312 /nfs/dbraw/zinc/58/23/12/860582312.db2.gz HWPKSHPTZZMNKI-NRFANRHFSA-N -1 1 424.570 4.002 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000434976014 860583024 /nfs/dbraw/zinc/58/30/24/860583024.db2.gz IWWOFMYEICRXJF-NRFANRHFSA-N -1 1 424.570 4.002 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1OC ZINC000435136212 860658239 /nfs/dbraw/zinc/65/82/39/860658239.db2.gz ZLKYIBOZMQRXHD-UHFFFAOYSA-N -1 1 402.497 4.051 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCC(F)(F)C3)ccc2C)c1 ZINC000435467646 860808503 /nfs/dbraw/zinc/80/85/03/860808503.db2.gz JBGWBGMXMBYZPO-OAHLLOKOSA-N -1 1 408.470 4.478 20 0 HIADMM CC[C@](C)(OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000435470495 860810140 /nfs/dbraw/zinc/81/01/40/860810140.db2.gz ZONYHXBUXBKJJK-IBGZPJMESA-N -1 1 410.923 4.203 20 0 HIADMM C[C@@H]1[C@@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@@H]1c1ccccc1 ZINC000435525392 860840997 /nfs/dbraw/zinc/84/09/97/860840997.db2.gz DFGKBPPUXZCZIM-WQTXXOFMSA-N -1 1 406.507 4.476 20 0 HIADMM Cn1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c2cc(F)ccc21 ZINC000435534691 860849594 /nfs/dbraw/zinc/84/95/94/860849594.db2.gz OJJITRCEAZRJJU-UHFFFAOYSA-N -1 1 423.469 4.371 20 0 HIADMM Cc1ccc(C(=O)N2CCC=C(C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000437953026 863326010 /nfs/dbraw/zinc/32/60/10/863326010.db2.gz KGZKYJFMSYVTTO-UHFFFAOYSA-N -1 1 404.919 4.241 20 0 HIADMM Cc1cnccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438052757 863420474 /nfs/dbraw/zinc/42/04/74/863420474.db2.gz JSBXEDSOFORDET-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CCc1ncsc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000438245029 863703398 /nfs/dbraw/zinc/70/33/98/863703398.db2.gz HBVFMPVYEBRTLY-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1OCC ZINC000438716857 864200713 /nfs/dbraw/zinc/20/07/13/864200713.db2.gz MMOFJUGVUIANDP-UHFFFAOYSA-N -1 1 414.483 4.472 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O[C@@H](C)c3ccccc3)cc2C)c[nH]1 ZINC000438760508 864254062 /nfs/dbraw/zinc/25/40/62/864254062.db2.gz WQIWKCIWEVZFHT-HNNXBMFYSA-N -1 1 414.483 4.051 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccc([S@](C)=O)cc3)cc2)c1 ZINC000438766708 864262558 /nfs/dbraw/zinc/26/25/58/864262558.db2.gz YFQNCWBRZRVIGA-SANMLTNESA-N -1 1 401.509 4.326 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1 ZINC000438806606 864297218 /nfs/dbraw/zinc/29/72/18/864297218.db2.gz OMJXDJDOKVNMBH-UHFFFAOYSA-N -1 1 401.406 4.267 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000438996569 864453442 /nfs/dbraw/zinc/45/34/42/864453442.db2.gz HOMZBIPTPHPCRO-LADGPHEKSA-N -1 1 418.518 4.330 20 0 HIADMM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C(C)(C)C)s3)n2)c1 ZINC000439000724 864455312 /nfs/dbraw/zinc/45/53/12/864455312.db2.gz NMYTVHWLKMBJRW-LBPRGKRZSA-N -1 1 421.544 4.144 20 0 HIADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)s1 ZINC000439189587 864617857 /nfs/dbraw/zinc/61/78/57/864617857.db2.gz NBRVVGYVTMNQKX-VIFPVBQESA-N -1 1 411.409 4.297 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)o1 ZINC000439640928 864968207 /nfs/dbraw/zinc/96/82/07/864968207.db2.gz ATZYOXHKQQENHX-UHFFFAOYSA-N -1 1 418.437 4.104 20 0 HIADMM COc1ccc(Sc2nsc([N-]C(=O)c3sc([C@H](C)OC)nc3C)n2)cc1 ZINC000439758174 865085297 /nfs/dbraw/zinc/08/52/97/865085297.db2.gz IBVUBEBKVGHDMI-JTQLQIEISA-N -1 1 422.557 4.423 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC(C(C)C)CC2)c1 ZINC000440125002 865371392 /nfs/dbraw/zinc/37/13/92/865371392.db2.gz MLBKUUPGXAALLH-UHFFFAOYSA-N -1 1 418.534 4.443 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1 ZINC000440234480 865470007 /nfs/dbraw/zinc/47/00/07/865470007.db2.gz KJMSZESQRCPENS-OXJNMPFZSA-N -1 1 416.518 4.340 20 0 HIADMM Cc1ccc(Sc2nsc([N-]C(=O)c3csc(-c4cnn(C)c4)n3)n2)cc1 ZINC000440316534 865586176 /nfs/dbraw/zinc/58/61/76/865586176.db2.gz NFMKOJGWLCCDTB-UHFFFAOYSA-N -1 1 414.541 4.107 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000440368320 865653871 /nfs/dbraw/zinc/65/38/71/865653871.db2.gz SCLMQVOVIZNUJF-LADGPHEKSA-N -1 1 418.518 4.330 20 0 HIADMM Cc1ccc(NC(=O)CC[C@@H]2CC[C@H](C)O2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000440393229 865684463 /nfs/dbraw/zinc/68/44/63/865684463.db2.gz UTMPJBHXMBVTNA-LPHOPBHVSA-N -1 1 402.516 4.082 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000440392896 865684706 /nfs/dbraw/zinc/68/47/06/865684706.db2.gz SPVQTRRYEFWYNH-ISKFKSNPSA-N -1 1 418.518 4.330 20 0 HIADMM Cc1ccc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000440393228 865686343 /nfs/dbraw/zinc/68/63/43/865686343.db2.gz UTMPJBHXMBVTNA-APWZRJJASA-N -1 1 402.516 4.082 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000440401876 865693727 /nfs/dbraw/zinc/69/37/27/865693727.db2.gz GCKAHHFYQFMGQW-GOEBONIOSA-N -1 1 404.507 4.196 20 0 HIADMM CSc1ccc(-c2nsc([N-]C(=O)c3csc(-c4cnccn4)n3)n2)cc1 ZINC000440475679 865780437 /nfs/dbraw/zinc/78/04/37/865780437.db2.gz UFMFQFQWKNOYJW-UHFFFAOYSA-N -1 1 412.525 4.093 20 0 HIADMM Cn1cccc1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000440812570 865929837 /nfs/dbraw/zinc/92/98/37/865929837.db2.gz KCDRMRUMACSJQR-UHFFFAOYSA-N -1 1 418.280 4.220 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000468163111 882033457 /nfs/dbraw/zinc/03/34/57/882033457.db2.gz DGTNEQKYRFRABH-KRWDZBQOSA-N -1 1 415.559 4.388 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)c1 ZINC000468165230 882039143 /nfs/dbraw/zinc/03/91/43/882039143.db2.gz SGQLRGSDRXIGGK-KRWDZBQOSA-N -1 1 415.559 4.306 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)cc(C)c1Cl ZINC000442222742 867250548 /nfs/dbraw/zinc/25/05/48/867250548.db2.gz OKOMLZQYFGMTHE-UHFFFAOYSA-N -1 1 410.898 4.133 20 0 HIADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CSC3CCCC3)c2)cc1 ZINC000442345826 867338278 /nfs/dbraw/zinc/33/82/78/867338278.db2.gz HBNDLIVITKAEDA-UHFFFAOYSA-N -1 1 418.584 4.365 20 0 HIADMM COc1cc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc(Cl)c1[O-] ZINC000442874153 867709046 /nfs/dbraw/zinc/70/90/46/867709046.db2.gz QGOIFZUQPSTPNI-UHFFFAOYSA-N -1 1 410.857 4.237 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc(Cl)c1[O-] ZINC000442932193 867750122 /nfs/dbraw/zinc/75/01/22/867750122.db2.gz BKURMIFKQFGNGX-ZDUSSCGKSA-N -1 1 416.905 4.487 20 0 HIADMM COc1cc(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc(Cl)c1[O-] ZINC000442971636 867771273 /nfs/dbraw/zinc/77/12/73/867771273.db2.gz WIFXMYDCXXXNOH-UHFFFAOYSA-N -1 1 403.891 4.484 20 0 HIADMM COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc(Cl)c1[O-] ZINC000442982733 867778280 /nfs/dbraw/zinc/77/82/80/867778280.db2.gz MBGVEAMUXCVQPC-LJQANCHMSA-N -1 1 424.884 4.034 20 0 HIADMM COc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc(Cl)c1[O-] ZINC000442994004 867782758 /nfs/dbraw/zinc/78/27/58/867782758.db2.gz ZROGCFPDZYMEEO-LLVKDONJSA-N -1 1 412.269 4.375 20 0 HIADMM COc1cc(C(=O)N(CCCOc2ccccc2)C2CCOCC2)cc(Cl)c1[O-] ZINC000443136950 867836290 /nfs/dbraw/zinc/83/62/90/867836290.db2.gz ZZIWXEYFZJJTRY-UHFFFAOYSA-N -1 1 419.905 4.145 20 0 HIADMM COc1cc(-c2nc(-c3ccc(NC(=O)NC(C)C)cc3)no2)cc(Cl)c1[O-] ZINC000443221073 867880142 /nfs/dbraw/zinc/88/01/42/867880142.db2.gz WHJRTSDCCFLIMV-UHFFFAOYSA-N -1 1 402.838 4.301 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@](C)(CC)C3)cc2)cc1 ZINC000468239896 882139026 /nfs/dbraw/zinc/13/90/26/882139026.db2.gz CETXCCYXDIWPBS-JOCHJYFZSA-N -1 1 416.543 4.148 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@H]1CC1(C)C ZINC000443404988 867985341 /nfs/dbraw/zinc/98/53/41/867985341.db2.gz HSBNIOZELDCWCH-OAHLLOKOSA-N -1 1 408.907 4.134 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCC(=O)N4)c2)n1 ZINC000443410932 867991792 /nfs/dbraw/zinc/99/17/92/867991792.db2.gz SKWDXXLNSJXPQK-UHFFFAOYSA-N -1 1 413.524 4.194 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000443419572 868003441 /nfs/dbraw/zinc/00/34/41/868003441.db2.gz QUFYMIFICRJRMU-UHFFFAOYSA-N -1 1 407.797 4.112 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)c(C)c(OC)c1 ZINC000443419626 868004187 /nfs/dbraw/zinc/00/41/87/868004187.db2.gz WNGFCKSYDNUBPD-UHFFFAOYSA-N -1 1 418.284 4.023 20 0 HIADMM Cn1ccc2c([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cccc2c1=O ZINC000443533146 868091683 /nfs/dbraw/zinc/09/16/83/868091683.db2.gz UPXBNYQXQDCTAY-UHFFFAOYSA-N -1 1 416.808 4.012 20 0 HIADMM CC[C@@]1(C)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC000468262329 882175763 /nfs/dbraw/zinc/17/57/63/882175763.db2.gz SGEDZLUMAGURQV-NRFANRHFSA-N -1 1 404.507 4.197 20 0 HIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccc(C(F)(F)F)cc1F ZINC000444057178 868595885 /nfs/dbraw/zinc/59/58/85/868595885.db2.gz UCNYLADNRVRNBW-UHFFFAOYSA-N -1 1 406.376 4.385 20 0 HIADMM O=S(=O)([N-]CCCc1ccccn1)c1ccc(Br)c(Cl)c1Cl ZINC000444085128 868608587 /nfs/dbraw/zinc/60/85/87/868608587.db2.gz CCRDAUVZFWJZGM-UHFFFAOYSA-N -1 1 424.147 4.062 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1occc1Br ZINC000444365201 868789744 /nfs/dbraw/zinc/78/97/44/868789744.db2.gz NZMWLQUOTICKEM-UHFFFAOYSA-N -1 1 407.264 4.063 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cnc([C@@H]2CCCO2)s1 ZINC000444371359 868796533 /nfs/dbraw/zinc/79/65/33/868796533.db2.gz GSJKCHCOBBIJLI-KRWDZBQOSA-N -1 1 415.515 4.015 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1sccc1OC(F)F ZINC000444377354 868800774 /nfs/dbraw/zinc/80/07/74/868800774.db2.gz WMQSHCOUOUKROF-UHFFFAOYSA-N -1 1 410.442 4.370 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)c2ccc(OCc3ccccc3)cc2)c(=O)[n-]1 ZINC000444466737 868840691 /nfs/dbraw/zinc/84/06/91/868840691.db2.gz ZBJUGNDEFOQTTQ-UHFFFAOYSA-N -1 1 423.538 4.387 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000444469504 868841460 /nfs/dbraw/zinc/84/14/60/868841460.db2.gz UADPEPZYHCYZGF-FUHWJXTLSA-N -1 1 410.562 4.454 20 0 HIADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000444519338 868866904 /nfs/dbraw/zinc/86/69/04/868866904.db2.gz LUUZNTJWBYSQEW-CQSZACIVSA-N -1 1 402.441 4.431 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC34CCC4)c2)cc1 ZINC000444617063 868909002 /nfs/dbraw/zinc/90/90/02/868909002.db2.gz FULAGACHJJJZFK-UHFFFAOYSA-N -1 1 414.527 4.045 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)o1 ZINC000445250998 869304921 /nfs/dbraw/zinc/30/49/21/869304921.db2.gz PNLDENNCTKGBOS-UHFFFAOYSA-N -1 1 412.467 4.152 20 0 HIADMM COc1ccc(-c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)c([O-])c1 ZINC000445326834 869387207 /nfs/dbraw/zinc/38/72/07/869387207.db2.gz WNOVOAIDNPTTQH-UHFFFAOYSA-N -1 1 417.421 4.424 20 0 HIADMM COc1cc(-c2noc([C@H]3CCOc4ccccc43)n2)cc(Br)c1[O-] ZINC000445392142 869478750 /nfs/dbraw/zinc/47/87/50/869478750.db2.gz NTWBWQBUKLZDLV-LBPRGKRZSA-N -1 1 403.232 4.128 20 0 HIADMM COc1cc(-c2noc(Cc3cc(F)c(F)cc3F)n2)cc(Br)c1[O-] ZINC000445397579 869483056 /nfs/dbraw/zinc/48/30/56/869483056.db2.gz JLQLGXSIQQGFNK-UHFFFAOYSA-N -1 1 415.165 4.221 20 0 HIADMM COc1cc(-c2noc(CCSCc3ccccn3)n2)cc(Br)c1[O-] ZINC000445404101 869488141 /nfs/dbraw/zinc/48/81/41/869488141.db2.gz PHFABIAWWZSYEL-UHFFFAOYSA-N -1 1 422.304 4.084 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3COc4ccc(OC)cc4C3)n2)cc(Cl)c1[O-] ZINC000445406344 869490369 /nfs/dbraw/zinc/49/03/69/869490369.db2.gz JCBZFLPNXVVOHB-ZDUSSCGKSA-N -1 1 402.834 4.222 20 0 HIADMM CCOc1cc(-c2noc(CSCC(=O)OC(C)(C)C)n2)cc(Cl)c1[O-] ZINC000445413257 869495927 /nfs/dbraw/zinc/49/59/27/869495927.db2.gz SMHMFQYHSLDGHY-UHFFFAOYSA-N -1 1 400.884 4.069 20 0 HIADMM CCOc1cc(-c2noc(C3CCN(CC(F)(F)F)CC3)n2)cc(Cl)c1[O-] ZINC000445414549 869496890 /nfs/dbraw/zinc/49/68/90/869496890.db2.gz ZIDUNGHNFYLCLO-UHFFFAOYSA-N -1 1 405.804 4.236 20 0 HIADMM O=c1c2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2nc2n1CCCCC2 ZINC000445447854 869528700 /nfs/dbraw/zinc/52/87/00/869528700.db2.gz IUXISYMMHAUYID-UHFFFAOYSA-N -1 1 408.845 4.199 20 0 HIADMM COc1cc(OC)c(OC)c2[nH]c(-c3nc(-c4ccc([O-])cc4Cl)no3)cc21 ZINC000445457126 869534590 /nfs/dbraw/zinc/53/45/90/869534590.db2.gz XFEOQDOECFBOKN-UHFFFAOYSA-N -1 1 401.806 4.270 20 0 HIADMM [O-]c1ccc(-c2noc(C3(c4ccc(Br)cc4)CCOCC3)n2)c(F)c1 ZINC000445459953 869536178 /nfs/dbraw/zinc/53/61/78/869536178.db2.gz KMEYQKXBPRGWJS-UHFFFAOYSA-N -1 1 419.250 4.440 20 0 HIADMM [O-]c1ccc(-c2noc([C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)n2)cc1F ZINC000445474300 869547919 /nfs/dbraw/zinc/54/79/19/869547919.db2.gz QAQBQDIOQTUWOW-GFCCVEGCSA-N -1 1 408.355 4.379 20 0 HIADMM Cc1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)nn1-c1c(Cl)cccc1Cl ZINC000445477625 869550642 /nfs/dbraw/zinc/55/06/42/869550642.db2.gz DPIJEAUOMAAHRB-UHFFFAOYSA-N -1 1 406.204 4.444 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc([C@H]3CCCOC3)no2)c1 ZINC000445529589 869586712 /nfs/dbraw/zinc/58/67/12/869586712.db2.gz UTROANBBVRKTRD-AWEZNQCLSA-N -1 1 419.890 4.085 20 0 HIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000468381068 882325426 /nfs/dbraw/zinc/32/54/26/882325426.db2.gz GAGDNAHEJFYHEV-UHFFFAOYSA-N -1 1 421.522 4.209 20 0 HIADMM COc1c(F)ccc(F)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000445767077 869810897 /nfs/dbraw/zinc/81/08/97/869810897.db2.gz RJQXMKGSNYKDNT-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CC(C)C[C@@H](C)OCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000445829685 869849180 /nfs/dbraw/zinc/84/91/80/869849180.db2.gz KIHRUBPRNDDTDY-MRXNPFEDSA-N -1 1 422.522 4.406 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](C(C)C)C3)cc2)c1 ZINC000446514733 870432987 /nfs/dbraw/zinc/43/29/87/870432987.db2.gz NKZFNFVDNXZFSU-LJQANCHMSA-N -1 1 400.544 4.222 20 0 HIADMM CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000446824370 870739872 /nfs/dbraw/zinc/73/98/72/870739872.db2.gz SVFONTPXVKBDPF-UHFFFAOYSA-N -1 1 411.314 4.214 20 0 HIADMM C[C@@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000446892208 870811123 /nfs/dbraw/zinc/81/11/23/870811123.db2.gz IXWMDJKIGRQYBB-SJKOYZFVSA-N -1 1 401.388 4.165 20 0 HIADMM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F ZINC000446946239 870855194 /nfs/dbraw/zinc/85/51/94/870855194.db2.gz OWJDSIODDFFUTK-CQSZACIVSA-N -1 1 423.869 4.179 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000446995789 870882458 /nfs/dbraw/zinc/88/24/58/870882458.db2.gz GIUAWOCSQOEQOR-UHFFFAOYSA-N -1 1 422.222 4.471 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3noc(C(F)(F)F)n3)c2)cc(C)c1F ZINC000447262590 871140860 /nfs/dbraw/zinc/14/08/60/871140860.db2.gz FJFWZGWCJMKGKO-UHFFFAOYSA-N -1 1 415.368 4.312 20 0 HIADMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000447270825 871158407 /nfs/dbraw/zinc/15/84/07/871158407.db2.gz MRYMEWLBHYQSMX-UHFFFAOYSA-N -1 1 415.437 4.042 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1C(=O)N1CCCCC1 ZINC000447275194 871165084 /nfs/dbraw/zinc/16/50/84/871165084.db2.gz SMDRPTSQQAITRK-UHFFFAOYSA-N -1 1 406.935 4.384 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)cc1Cl ZINC000447276486 871168538 /nfs/dbraw/zinc/16/85/38/871168538.db2.gz AYZGRBRFSGGFNB-UHFFFAOYSA-N -1 1 408.838 4.476 20 0 HIADMM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000447345825 871246700 /nfs/dbraw/zinc/24/67/00/871246700.db2.gz RJSFFTFKYYCADA-UHFFFAOYSA-N -1 1 400.887 4.186 20 0 HIADMM COc1cccc([C@@H](C)CCCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000447552039 871433783 /nfs/dbraw/zinc/43/37/83/871433783.db2.gz SIRYJBROZZQISJ-AWEZNQCLSA-N -1 1 408.495 4.118 20 0 HIADMM Cc1c(Br)ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1F ZINC000447641339 871561439 /nfs/dbraw/zinc/56/14/39/871561439.db2.gz NQIQUBHBFZMVSI-UHFFFAOYSA-N -1 1 402.223 4.103 20 0 HIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)ccc2[nH]1 ZINC000447779543 871708819 /nfs/dbraw/zinc/70/88/19/871708819.db2.gz UWENYWPZGBHGSW-UHFFFAOYSA-N -1 1 414.380 4.049 20 0 HIADMM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1F ZINC000447788239 871722794 /nfs/dbraw/zinc/72/27/94/871722794.db2.gz UCRGIIVPSOYUSQ-UHFFFAOYSA-N -1 1 411.348 4.293 20 0 HIADMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000447792066 871726102 /nfs/dbraw/zinc/72/61/02/871726102.db2.gz QTQCDPUNUBPAIP-UHFFFAOYSA-N -1 1 419.400 4.175 20 0 HIADMM O=S(=O)(Cc1cccc(F)c1)[N-]c1noc(-c2ccccc2)c1Br ZINC000448539020 872540813 /nfs/dbraw/zinc/54/08/13/872540813.db2.gz SGSHARLLQTVOOH-UHFFFAOYSA-N -1 1 411.252 4.185 20 0 HIADMM O=S(=O)(CCc1ccccc1)[N-]c1noc(-c2ccccc2)c1Br ZINC000448540036 872543702 /nfs/dbraw/zinc/54/37/02/872543702.db2.gz XTMDOXKDXJDPCI-UHFFFAOYSA-N -1 1 407.289 4.089 20 0 HIADMM COc1cc(C(=O)NCCCc2ccc(Br)cc2F)cc(Cl)c1[O-] ZINC000460205529 872785270 /nfs/dbraw/zinc/78/52/70/872785270.db2.gz XBHGGINSOFOIBW-UHFFFAOYSA-N -1 1 416.674 4.318 20 0 HIADMM CCN(Cc1cccc(F)c1)C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000460424334 873084521 /nfs/dbraw/zinc/08/45/21/873084521.db2.gz FIYBCHPBADYDLW-UHFFFAOYSA-N -1 1 411.502 4.438 20 0 HIADMM Cc1c(=O)[n-]c(SCCCCN2C(=O)c3ccccc3C2=O)nc1-c1ccccc1 ZINC000460431499 873096194 /nfs/dbraw/zinc/09/61/94/873096194.db2.gz ZQDBRAMEMISWOU-UHFFFAOYSA-N -1 1 419.506 4.326 20 0 HIADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000460432793 873097351 /nfs/dbraw/zinc/09/73/51/873097351.db2.gz WAZIVDKSQFMSOR-UHFFFAOYSA-N -1 1 407.438 4.431 20 0 HIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc1-c1ccccc1 ZINC000460445573 873115365 /nfs/dbraw/zinc/11/53/65/873115365.db2.gz TUMTYIVXWSAYKE-CQSZACIVSA-N -1 1 423.494 4.048 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 ZINC000460822703 873706238 /nfs/dbraw/zinc/70/62/38/873706238.db2.gz GDIGXHRWHGRNFW-UHFFFAOYSA-N -1 1 412.467 4.078 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000460832223 873718865 /nfs/dbraw/zinc/71/88/65/873718865.db2.gz QCDHDYPKCCMRDK-UHFFFAOYSA-N -1 1 407.797 4.032 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000460839030 873727929 /nfs/dbraw/zinc/72/79/29/873727929.db2.gz ULBIGIUDJVBULN-UHFFFAOYSA-N -1 1 423.600 4.498 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460970374 873866015 /nfs/dbraw/zinc/86/60/15/873866015.db2.gz QCJNQVIKWIRHFI-FQEVSTJZSA-N -1 1 414.502 4.031 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)[C@@H]1C1CC1 ZINC000460976204 873869919 /nfs/dbraw/zinc/86/99/19/873869919.db2.gz BHLYTIUFYLQMPR-LJQANCHMSA-N -1 1 418.946 4.401 20 0 HIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(NC(C)=O)c(Cl)c3)c2C1 ZINC000461111067 874033120 /nfs/dbraw/zinc/03/31/20/874033120.db2.gz YEUVRRYCJYOXGV-UHFFFAOYSA-N -1 1 421.950 4.215 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000461205205 874206606 /nfs/dbraw/zinc/20/66/06/874206606.db2.gz WCULHKFIPNWMBF-CQSZACIVSA-N -1 1 424.950 4.074 20 0 HIADMM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)o1 ZINC000461394396 874402789 /nfs/dbraw/zinc/40/27/89/874402789.db2.gz KAIDQCLTGSXCRE-MRXNPFEDSA-N -1 1 412.511 4.140 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000461488671 874552883 /nfs/dbraw/zinc/55/28/83/874552883.db2.gz LOUVKXXKNJAGHT-OXQOHEQNSA-N -1 1 416.518 4.340 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H]4CCC[C@H]43)c2)cc1F ZINC000461493717 874561987 /nfs/dbraw/zinc/56/19/87/874561987.db2.gz IHDAGJFJGFDPBI-HRAATJIYSA-N -1 1 416.518 4.340 20 0 HIADMM CCCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000461614506 874760184 /nfs/dbraw/zinc/76/01/84/874760184.db2.gz ATEHKTAACPYALT-MRXNPFEDSA-N -1 1 404.532 4.147 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc([S@@](C)=O)cc3)cc2)cc1 ZINC000462104188 875211642 /nfs/dbraw/zinc/21/16/42/875211642.db2.gz RVKRUKMWAFMQNJ-HHHXNRCGSA-N -1 1 417.508 4.026 20 0 HIADMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)cc1 ZINC000462106749 875212761 /nfs/dbraw/zinc/21/27/61/875212761.db2.gz ZAJGZMMUSIZGKR-SANMLTNESA-N -1 1 407.557 4.184 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)on1 ZINC000462415587 875522561 /nfs/dbraw/zinc/52/25/61/875522561.db2.gz HOSCQYKSDKLPMR-UHFFFAOYSA-N -1 1 407.319 4.372 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)c1ccccc1 ZINC000462530492 875648789 /nfs/dbraw/zinc/64/87/89/875648789.db2.gz RZFUKUPNAYCYMW-ZDUSSCGKSA-N -1 1 402.850 4.006 20 0 HIADMM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000462721720 875800471 /nfs/dbraw/zinc/80/04/71/875800471.db2.gz UZTJYMBMBDXREU-NSHDSACASA-N -1 1 423.840 4.113 20 0 HIADMM Cc1cc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc(-c2ccccn2)n1 ZINC000462863896 875894947 /nfs/dbraw/zinc/89/49/47/875894947.db2.gz QNWQXFMOIWXYNO-UHFFFAOYSA-N -1 1 418.478 4.440 20 0 HIADMM CCN(CC(C)(C)C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000463022115 876040556 /nfs/dbraw/zinc/04/05/56/876040556.db2.gz QPVOLQWKZUBVOB-UHFFFAOYSA-N -1 1 410.486 4.274 20 0 HIADMM Cc1cc(F)cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000463382570 876437876 /nfs/dbraw/zinc/43/78/76/876437876.db2.gz UIMNYEHMFZQRRT-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CCn1nc(C)c(S(=O)(=O)[N-]c2c(C)cc(Br)cc2Cl)c1C ZINC000463383253 876438165 /nfs/dbraw/zinc/43/81/65/876438165.db2.gz YWIIHVKEXOBHEK-UHFFFAOYSA-N -1 1 406.733 4.045 20 0 HIADMM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000464045582 877187112 /nfs/dbraw/zinc/18/71/12/877187112.db2.gz ILCHCQOGGNLHCE-UNMCSNQZSA-N -1 1 416.525 4.198 20 0 HIADMM CCc1cnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1 ZINC000464089660 877243350 /nfs/dbraw/zinc/24/33/50/877243350.db2.gz WSWJTFHBLILMGH-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCc1cnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)s1 ZINC000464092433 877248018 /nfs/dbraw/zinc/24/80/18/877248018.db2.gz DTCODWVWZKLRDP-UHFFFAOYSA-N -1 1 423.466 4.037 20 0 HIADMM O=S(=O)([N-]Cc1cccc(-c2cccnc2)c1)c1sccc1Br ZINC000464198576 877371186 /nfs/dbraw/zinc/37/11/86/877371186.db2.gz LGFSDPPHWIIGNQ-UHFFFAOYSA-N -1 1 409.330 4.051 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)CC(F)(F)F)c2)c1 ZINC000464261651 877441171 /nfs/dbraw/zinc/44/11/71/877441171.db2.gz CFBRNYGGJFFTHS-CQSZACIVSA-N -1 1 414.449 4.175 20 0 HIADMM C[C@@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000464262358 877443510 /nfs/dbraw/zinc/44/35/10/877443510.db2.gz BYHDNKZKBJEATA-NSHDSACASA-N -1 1 420.840 4.212 20 0 HIADMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl ZINC000464538885 877754809 /nfs/dbraw/zinc/75/48/09/877754809.db2.gz SGQURJPZFGIHKQ-UHFFFAOYSA-N -1 1 406.287 4.210 20 0 HIADMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1Cl ZINC000464540999 877755884 /nfs/dbraw/zinc/75/58/84/877755884.db2.gz OUOFBDCMSMGBEP-UHFFFAOYSA-N -1 1 417.314 4.176 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000464556779 877774595 /nfs/dbraw/zinc/77/45/95/877774595.db2.gz WUGQDSXXFDTGKF-VGSWGCGISA-N -1 1 406.507 4.321 20 0 HIADMM CC[C@H]1CC[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)O1 ZINC000464864786 878148285 /nfs/dbraw/zinc/14/82/85/878148285.db2.gz SSQSLKCFUXHRKP-RBUKOAKNSA-N -1 1 402.516 4.000 20 0 HIADMM CCC1(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000464930892 878258676 /nfs/dbraw/zinc/25/86/76/878258676.db2.gz ITQGZSRTHVFWKL-UHFFFAOYSA-N -1 1 400.544 4.416 20 0 HIADMM Cc1ccc(C(=O)NC[C@H]2CCCS2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000465009500 878368022 /nfs/dbraw/zinc/36/80/22/878368022.db2.gz CYQHLQMKBJKUOR-QGZVFWFLSA-N -1 1 424.975 4.075 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@@H]3CC)cc2)cc1 ZINC000465299056 878742413 /nfs/dbraw/zinc/74/24/13/878742413.db2.gz SBBFTKQOFPEXFP-LPHOPBHVSA-N -1 1 416.543 4.147 20 0 HIADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000465301753 878746677 /nfs/dbraw/zinc/74/66/77/878746677.db2.gz SJQGIEGCWSCQMA-HNNXBMFYSA-N -1 1 422.497 4.274 20 0 HIADMM CC1(C)CCC(NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000465838149 879475494 /nfs/dbraw/zinc/47/54/94/879475494.db2.gz OYEWTBBHGQMRFA-UHFFFAOYSA-N -1 1 415.559 4.255 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4nc(Cc5ccccc5)oc4c3)cc2o1 ZINC000466282190 880022045 /nfs/dbraw/zinc/02/20/45/880022045.db2.gz AOFSENWLBNFCLC-UHFFFAOYSA-N -1 1 421.434 4.066 20 0 HIADMM CCOc1c(Cl)cc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1Cl ZINC000466297870 880043866 /nfs/dbraw/zinc/04/38/66/880043866.db2.gz OMGZSQPAUZPKAT-UHFFFAOYSA-N -1 1 416.330 4.489 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)c(=O)[n-]1 ZINC000503532484 912588781 /nfs/dbraw/zinc/58/87/81/912588781.db2.gz BAJJFAGKKKFEJM-UHFFFAOYSA-N -1 1 423.542 4.237 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cccc4cc[nH]c43)c2)cc1 ZINC000466862135 880630148 /nfs/dbraw/zinc/63/01/48/880630148.db2.gz IQLDCDGAVBUFRR-UHFFFAOYSA-N -1 1 419.506 4.207 20 0 HIADMM CSc1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1C ZINC000466970735 880770690 /nfs/dbraw/zinc/77/06/90/880770690.db2.gz HQVRGKPPTUZRIS-CQSZACIVSA-N -1 1 411.520 4.072 20 0 HIADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000466973149 880777108 /nfs/dbraw/zinc/77/71/08/880777108.db2.gz LNRUDFNKSAGZGV-HZPDHXFCSA-N -1 1 423.506 4.219 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1C ZINC000467084110 880853678 /nfs/dbraw/zinc/85/36/78/880853678.db2.gz WVXINWMYCCTXQK-UHFFFAOYSA-N -1 1 418.490 4.036 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)NCCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000467197664 880926990 /nfs/dbraw/zinc/92/69/90/880926990.db2.gz PNECQHYURVSPIV-UHFFFAOYSA-N -1 1 413.930 4.262 20 0 HIADMM CCCOc1cccc(CNC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000467210465 880941193 /nfs/dbraw/zinc/94/11/93/880941193.db2.gz FBXSCCHTRJNTCC-UHFFFAOYSA-N -1 1 423.538 4.355 20 0 HIADMM C[C@H](CCC1CC1)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000469427366 883608427 /nfs/dbraw/zinc/60/84/27/883608427.db2.gz BJRRMJJGSVHTQZ-QGZVFWFLSA-N -1 1 415.559 4.208 20 0 HIADMM Cc1ccc(NC(=O)[C@H](C)OCc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000469502668 883747961 /nfs/dbraw/zinc/74/79/61/883747961.db2.gz BEEZTYYNEYFZQZ-SFHVURJKSA-N -1 1 424.522 4.340 20 0 HIADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000469922762 884114419 /nfs/dbraw/zinc/11/44/19/884114419.db2.gz FRSLQFXTVJAWBJ-HNNXBMFYSA-N -1 1 420.840 4.212 20 0 HIADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1)C(F)(F)F ZINC000469925929 884119280 /nfs/dbraw/zinc/11/92/80/884119280.db2.gz IDIXYYYZLUKGLA-KRWDZBQOSA-N -1 1 414.449 4.175 20 0 HIADMM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000470262373 884607258 /nfs/dbraw/zinc/60/72/58/884607258.db2.gz DYEGEYLCXXOFHK-HXUWFJFHSA-N -1 1 424.545 4.287 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)c1 ZINC000470436160 884834021 /nfs/dbraw/zinc/83/40/21/884834021.db2.gz BLSXUKMXFBYKGF-UHFFFAOYSA-N -1 1 420.874 4.199 20 0 HIADMM COc1ccc(-c2nc(CSc3nc(C4CC4)cc(=O)[n-]3)cs2)cc1OC ZINC000470454788 884849741 /nfs/dbraw/zinc/84/97/41/884849741.db2.gz DKPBORKGWZMJPA-UHFFFAOYSA-N -1 1 401.513 4.493 20 0 HIADMM COc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2OC)cc(Cl)c1[O-] ZINC000470833375 885323916 /nfs/dbraw/zinc/32/39/16/885323916.db2.gz UEMUYPBDODXSDN-SECBINFHSA-N -1 1 414.683 4.316 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)c(OC(F)F)c1)c1ccc(F)c2ncccc12 ZINC000504038041 912945326 /nfs/dbraw/zinc/94/53/26/912945326.db2.gz CBDHPWJWJHCXPA-UHFFFAOYSA-N -1 1 402.781 4.430 20 0 HIADMM CCC1(CC)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)C1 ZINC000504042261 912950361 /nfs/dbraw/zinc/95/03/61/912950361.db2.gz IBEPRIPUBKWKAW-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM COc1cccc(-c2nc(C(=O)[N-]c3nc(-c4ccccc4OC)cs3)no2)c1 ZINC000471275183 885855106 /nfs/dbraw/zinc/85/51/06/885855106.db2.gz CCRRZZBGNNOEBY-UHFFFAOYSA-N -1 1 408.439 4.130 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc(Cl)c(Br)cc1F ZINC000471607368 886322324 /nfs/dbraw/zinc/32/23/24/886322324.db2.gz YWOMVDIVXJEKTR-UHFFFAOYSA-N -1 1 418.593 4.460 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc3[nH]cnc3c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471762521 886495637 /nfs/dbraw/zinc/49/56/37/886495637.db2.gz WUXJGHRIOBIAMO-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2C)c1 ZINC000471903397 886686619 /nfs/dbraw/zinc/68/66/19/886686619.db2.gz RZLJBZIIMMFVKX-UHFFFAOYSA-N -1 1 411.321 4.297 20 0 HIADMM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000471956638 886772657 /nfs/dbraw/zinc/77/26/57/886772657.db2.gz SDVODPJVSWAXFS-UHFFFAOYSA-N -1 1 424.238 4.341 20 0 HIADMM COc1cc(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1[N-]S(C)(=O)=O ZINC000472028691 886851290 /nfs/dbraw/zinc/85/12/90/886851290.db2.gz IAXQYFFMEKMKBW-SNVBAGLBSA-N -1 1 417.314 4.116 20 0 HIADMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000504216828 913093494 /nfs/dbraw/zinc/09/34/94/913093494.db2.gz ZFTZKQVPDNBIAH-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC000504304501 913155436 /nfs/dbraw/zinc/15/54/36/913155436.db2.gz NPBYQOWVACHUSK-UHFFFAOYSA-N -1 1 405.951 4.498 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CCCC2(CC2)C1 ZINC000472760595 887606608 /nfs/dbraw/zinc/60/66/08/887606608.db2.gz YLLSPQIMEWQTJI-UHFFFAOYSA-N -1 1 404.919 4.157 20 0 HIADMM CCc1nnc([N-]C(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)s1 ZINC000504460576 913266354 /nfs/dbraw/zinc/26/63/54/913266354.db2.gz NKQQENMYKFYGEB-UHFFFAOYSA-N -1 1 411.318 4.364 20 0 HIADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000473933583 888812239 /nfs/dbraw/zinc/81/22/39/888812239.db2.gz SSYISCSKVGRJPH-MRXNPFEDSA-N -1 1 410.495 4.026 20 0 HIADMM CCOC(=O)c1c2c(sc1[N-]C(=O)c1cc(-c3ccccn3)no1)CSCC2 ZINC000474242783 889091448 /nfs/dbraw/zinc/09/14/48/889091448.db2.gz RUVLTLRVGSYBNL-UHFFFAOYSA-N -1 1 415.496 4.016 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000474301746 889165164 /nfs/dbraw/zinc/16/51/64/889165164.db2.gz JMNXGFFARDEHCE-UHFFFAOYSA-N -1 1 412.317 4.294 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000474338117 889210541 /nfs/dbraw/zinc/21/05/41/889210541.db2.gz SFJWJJQVRKDMBM-TVXIDFIASA-N -1 1 417.534 4.240 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2C)c1 ZINC000504549864 913327012 /nfs/dbraw/zinc/32/70/12/913327012.db2.gz YEPDOPXMIDTPEE-UHFFFAOYSA-N -1 1 410.543 4.398 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000474497310 889358664 /nfs/dbraw/zinc/35/86/64/889358664.db2.gz NLMZIGVSDOTCIY-UHFFFAOYSA-N -1 1 405.498 4.297 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000474503124 889365396 /nfs/dbraw/zinc/36/53/96/889365396.db2.gz YYWAWRYZQGYRKV-UHFFFAOYSA-N -1 1 419.525 4.435 20 0 HIADMM Cc1ccc(SC[C@@H](C)NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000474585020 889455942 /nfs/dbraw/zinc/45/59/42/889455942.db2.gz RFUOZAWXUIDJKC-MRXNPFEDSA-N -1 1 422.554 4.091 20 0 HIADMM Cc1ccc(SC[C@H](C)NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000474585019 889456460 /nfs/dbraw/zinc/45/64/60/889456460.db2.gz RFUOZAWXUIDJKC-INIZCTEOSA-N -1 1 422.554 4.091 20 0 HIADMM COc1cc(NC(=O)N2CCC[C@H]2c2cc(C)ccc2C)ccc1[N-]S(C)(=O)=O ZINC000474591506 889459771 /nfs/dbraw/zinc/45/97/71/889459771.db2.gz ASYNIOCCJXOXMW-IBGZPJMESA-N -1 1 417.531 4.053 20 0 HIADMM CCOC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCCC1 ZINC000504632760 913383712 /nfs/dbraw/zinc/38/37/12/913383712.db2.gz BEQSOUFYXKCEQJ-UHFFFAOYSA-N -1 1 416.543 4.392 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C4CCOCC4)no3)cc2)c1 ZINC000504658822 913401322 /nfs/dbraw/zinc/40/13/22/913401322.db2.gz AUALXYAFGZBNLZ-UHFFFAOYSA-N -1 1 413.499 4.048 20 0 HIADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc2sc(N3CCCC3)nc2s1 ZINC000475120497 889976977 /nfs/dbraw/zinc/97/69/77/889976977.db2.gz RNXUVHROEVGWOM-UHFFFAOYSA-N -1 1 414.541 4.124 20 0 HIADMM C[C@H](Sc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)C(=O)[O-] ZINC000504666635 913406546 /nfs/dbraw/zinc/40/65/46/913406546.db2.gz WTLWPMLWVIDRGZ-VIFPVBQESA-N -1 1 406.312 4.359 20 0 HIADMM CCc1onc(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000475314969 890228758 /nfs/dbraw/zinc/22/87/58/890228758.db2.gz WDMTXQMVLAGYMM-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM CC[C@H]1CCCCN1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475325828 890246537 /nfs/dbraw/zinc/24/65/37/890246537.db2.gz OYMSIXYHABNNGE-IBGZPJMESA-N -1 1 419.522 4.101 20 0 HIADMM CCCN(C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@@H](CC)c1ccccc1 ZINC000475371521 890301743 /nfs/dbraw/zinc/30/17/43/890301743.db2.gz UBOWJZHIANSYIB-IBGZPJMESA-N -1 1 419.547 4.462 20 0 HIADMM CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000475373075 890301846 /nfs/dbraw/zinc/30/18/46/890301846.db2.gz XELFCOVZGJPUHR-GOSISDBHSA-N -1 1 405.520 4.072 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2C)cc1[N-]S(C)(=O)=O ZINC000475379520 890308335 /nfs/dbraw/zinc/30/83/35/890308335.db2.gz BCRNPZSMVLKKSP-LJQANCHMSA-N -1 1 417.531 4.053 20 0 HIADMM COc1cc2nc(-c3nc4ccccc4cc3Br)[n-]c(=O)c2cc1OC ZINC000475733430 890673000 /nfs/dbraw/zinc/67/30/00/890673000.db2.gz UTRAGQNWMHAIGH-UHFFFAOYSA-N -1 1 412.243 4.330 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)cc1C(F)(F)F ZINC000475820458 890754547 /nfs/dbraw/zinc/75/45/47/890754547.db2.gz VIJDXEROKSBOOF-UHFFFAOYSA-N -1 1 415.437 4.217 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)c1 ZINC000475835277 890768093 /nfs/dbraw/zinc/76/80/93/890768093.db2.gz SUSWKNQQVCSCQK-UHFFFAOYSA-N -1 1 411.348 4.254 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CCCc2c(O)cccc21 ZINC000476065986 890995137 /nfs/dbraw/zinc/99/51/37/890995137.db2.gz XFBHEGBHXPBADA-NRFANRHFSA-N -1 1 422.506 4.252 20 0 HIADMM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000476256836 891180249 /nfs/dbraw/zinc/18/02/49/891180249.db2.gz VSLLEYJUGNXATB-UHFFFAOYSA-N -1 1 408.676 4.359 20 0 HIADMM COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1Br ZINC000476263730 891185751 /nfs/dbraw/zinc/18/57/51/891185751.db2.gz STOFEXOMWBUWPH-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM Cc1ccc(C(=O)N2CCCC2(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000476420783 891332920 /nfs/dbraw/zinc/33/29/20/891332920.db2.gz WBGBPEKMDUPRAC-UHFFFAOYSA-N -1 1 406.935 4.464 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1 ZINC000476426613 891338860 /nfs/dbraw/zinc/33/88/60/891338860.db2.gz BFMYDTIYHMYOQS-MRXNPFEDSA-N -1 1 404.507 4.258 20 0 HIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)c2)n1 ZINC000476495443 891407053 /nfs/dbraw/zinc/40/70/53/891407053.db2.gz PLKHGPZNGZZOMP-UHFFFAOYSA-N -1 1 409.515 4.221 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1c1ccncc1 ZINC000476532478 891445715 /nfs/dbraw/zinc/44/57/15/891445715.db2.gz IEOAWPSIRZFSTI-OAQYLSRUSA-N -1 1 421.522 4.106 20 0 HIADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000476544908 891459218 /nfs/dbraw/zinc/45/92/18/891459218.db2.gz KQYCWFVNOGRJEH-BZUAXINKSA-N -1 1 404.507 4.133 20 0 HIADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000476544923 891459504 /nfs/dbraw/zinc/45/95/04/891459504.db2.gz KQYCWFVNOGRJEH-OWCLPIDISA-N -1 1 404.507 4.133 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)cc1 ZINC000476578596 891501974 /nfs/dbraw/zinc/50/19/74/891501974.db2.gz ZBMVUHRFMLACNU-NJAFHUGGSA-N -1 1 400.544 4.302 20 0 HIADMM CC(C)(CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000476935726 891878954 /nfs/dbraw/zinc/87/89/54/891878954.db2.gz WDBUPYGCHXVYGK-UHFFFAOYSA-N -1 1 404.507 4.069 20 0 HIADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC000477031587 891956999 /nfs/dbraw/zinc/95/69/99/891956999.db2.gz GWANMVHEJRZZAT-UHFFFAOYSA-N -1 1 420.325 4.218 20 0 HIADMM CCCc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nnn1-c1cccc(Cl)c1 ZINC000477105476 892037868 /nfs/dbraw/zinc/03/78/68/892037868.db2.gz DYIZRKFNABDHQI-UHFFFAOYSA-N -1 1 422.876 4.221 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc2sccc2[nH]1 ZINC000477204548 892132127 /nfs/dbraw/zinc/13/21/27/892132127.db2.gz KFLVYHGBIZCREV-UHFFFAOYSA-N -1 1 415.471 4.422 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)c2ccccc12 ZINC000477279295 892231549 /nfs/dbraw/zinc/23/15/49/892231549.db2.gz QMNCSLRRWJRJER-UHFFFAOYSA-N -1 1 420.494 4.298 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2N2CCCC2)c1 ZINC000477371925 892333696 /nfs/dbraw/zinc/33/36/96/892333696.db2.gz BUNDMVVJLJCYPW-UHFFFAOYSA-N -1 1 423.332 4.053 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 ZINC000477563495 892618118 /nfs/dbraw/zinc/61/81/18/892618118.db2.gz MJRXEFLKKDGMOI-AWEZNQCLSA-N -1 1 404.536 4.136 20 0 HIADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000477610075 892697985 /nfs/dbraw/zinc/69/79/85/892697985.db2.gz LHTNDVJCXVFWQG-KBPBESRZSA-N -1 1 408.907 4.077 20 0 HIADMM COc1ccc(N(CCC(C)C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC000477883737 892948280 /nfs/dbraw/zinc/94/82/80/892948280.db2.gz AFPVAYFRORBYSK-UHFFFAOYSA-N -1 1 422.547 4.058 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(-c2nc(CCc3ccccc3)no2)c1 ZINC000504974616 913717043 /nfs/dbraw/zinc/71/70/43/913717043.db2.gz IEBUGBAOUMIRDR-UHFFFAOYSA-N -1 1 423.469 4.462 20 0 HIADMM COc1cc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1F ZINC000478037918 893171506 /nfs/dbraw/zinc/17/15/06/893171506.db2.gz BLOUURCPMMCWGO-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1cc2sc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)nc2cc1F ZINC000478070894 893232124 /nfs/dbraw/zinc/23/21/24/893232124.db2.gz YZGYPDLKJJOWIP-UHFFFAOYSA-N -1 1 423.473 4.181 20 0 HIADMM Cc1noc(-c2ccccc2)c1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000478093142 893256111 /nfs/dbraw/zinc/25/61/11/893256111.db2.gz SWECIRAKGZTSTK-UHFFFAOYSA-N -1 1 415.453 4.087 20 0 HIADMM CC[C@H](C)c1ncc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000478301959 893518908 /nfs/dbraw/zinc/51/89/08/893518908.db2.gz FEJDNOBRYYMPNK-HNNXBMFYSA-N -1 1 410.499 4.043 20 0 HIADMM O=C(CCC(=O)c1cccs1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478425911 893720575 /nfs/dbraw/zinc/72/05/75/893720575.db2.gz IFFFBEXTNOBRPW-UHFFFAOYSA-N -1 1 414.508 4.151 20 0 HIADMM CCOc1ccccc1CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478461098 893782659 /nfs/dbraw/zinc/78/26/59/893782659.db2.gz SRCWFORTYRXFIU-UHFFFAOYSA-N -1 1 424.522 4.457 20 0 HIADMM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000478580980 893858649 /nfs/dbraw/zinc/85/86/49/893858649.db2.gz NAPIHDNFHHAWPD-OAHLLOKOSA-N -1 1 412.515 4.216 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cnc(C(C)C)nc3)c2)c1 ZINC000478676433 893929114 /nfs/dbraw/zinc/92/91/14/893929114.db2.gz PSCYKBGXKJHMEW-UHFFFAOYSA-N -1 1 424.526 4.270 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2cnn(C)c2)cc1Br ZINC000478698909 893958858 /nfs/dbraw/zinc/95/88/58/893958858.db2.gz PDHWXEPKPZWVMX-UHFFFAOYSA-N -1 1 424.295 4.098 20 0 HIADMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1csc(-c2cnccn2)n1 ZINC000478784382 894060489 /nfs/dbraw/zinc/06/04/89/894060489.db2.gz SZICKIASNPJRRQ-UHFFFAOYSA-N -1 1 418.866 4.163 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000478978169 894254456 /nfs/dbraw/zinc/25/44/56/894254456.db2.gz BNOCKGSNYDQXMW-LEWJYISDSA-N -1 1 410.470 4.369 20 0 HIADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(NC(=O)c3ccccc3)c1C)OCO2 ZINC000479273404 894548948 /nfs/dbraw/zinc/54/89/48/894548948.db2.gz ZQDOLVATIMQSCP-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)CCOc3ccc(F)cc3)cc2s1 ZINC000479282226 894561258 /nfs/dbraw/zinc/56/12/58/894561258.db2.gz MPYQXXFTZACHLF-UHFFFAOYSA-N -1 1 400.884 4.218 20 0 HIADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000479421524 894732696 /nfs/dbraw/zinc/73/26/96/894732696.db2.gz YBTDOWRMZJHSAE-ORAYPTAESA-N -1 1 408.470 4.026 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479493677 894813502 /nfs/dbraw/zinc/81/35/02/894813502.db2.gz ACKXTYYPEGTXGC-UHFFFAOYSA-N -1 1 417.556 4.359 20 0 HIADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000479500049 894818019 /nfs/dbraw/zinc/81/80/19/894818019.db2.gz OYSCOZKXGJRDBH-UHFFFAOYSA-N -1 1 406.301 4.204 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1OCC(F)(F)F ZINC000479519973 894830741 /nfs/dbraw/zinc/83/07/41/894830741.db2.gz YFXBIOVGVDPUJV-UHFFFAOYSA-N -1 1 418.418 4.047 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccnn3C(C)C)ccc2C)c1 ZINC000479835225 895159141 /nfs/dbraw/zinc/15/91/41/895159141.db2.gz HPDSJBWPBKBODQ-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CC[C@@H](C)n1nc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1C ZINC000479839424 895165838 /nfs/dbraw/zinc/16/58/38/895165838.db2.gz OIKDDGUKQNOSRX-OAHLLOKOSA-N -1 1 412.515 4.216 20 0 HIADMM O=S(=O)([N-][C@H](CCc1ccccc1)C(F)(F)F)c1ccccc1OC(F)F ZINC000480018194 895368527 /nfs/dbraw/zinc/36/85/27/895368527.db2.gz KXBIZSRIWDSJTF-OAHLLOKOSA-N -1 1 409.376 4.130 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1ccc(CC(F)(F)F)cc1 ZINC000480196645 895594829 /nfs/dbraw/zinc/59/48/29/895594829.db2.gz PUTDLFPJWRTECJ-UHFFFAOYSA-N -1 1 409.389 4.175 20 0 HIADMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000480239488 895648788 /nfs/dbraw/zinc/64/87/88/895648788.db2.gz HPXDOHDAVZUCJU-UHFFFAOYSA-N -1 1 414.449 4.121 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(C)[C@H]3C(C)C)c2)cc1 ZINC000480322897 895724826 /nfs/dbraw/zinc/72/48/26/895724826.db2.gz ZBOZCVDSIGLJNJ-HXUWFJFHSA-N -1 1 416.543 4.003 20 0 HIADMM CC(C)[C@H]1N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1(C)C ZINC000480452787 895840057 /nfs/dbraw/zinc/84/00/57/895840057.db2.gz ZMGHEZCMBXXVGR-LJQANCHMSA-N -1 1 404.507 4.133 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1c(Cl)cccc1C(F)(F)F ZINC000480884341 896240687 /nfs/dbraw/zinc/24/06/87/896240687.db2.gz XKRPKEVRONKYKH-CQSZACIVSA-N -1 1 405.825 4.420 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC[C@@H]3C(F)F)ccc2C)c1 ZINC000505415125 914078813 /nfs/dbraw/zinc/07/88/13/914078813.db2.gz JQXOAIRUYFAAMS-GOSISDBHSA-N -1 1 422.497 4.364 20 0 HIADMM CCOC(=O)COc1ccc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)cc1 ZINC000481550829 896918039 /nfs/dbraw/zinc/91/80/39/896918039.db2.gz WWWMCILTIPSUID-UHFFFAOYSA-N -1 1 400.434 4.199 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]3C(F)F)cc2)cc1 ZINC000505447879 914115170 /nfs/dbraw/zinc/11/51/70/914115170.db2.gz PWAMIPOZRKFEDC-SFHVURJKSA-N -1 1 408.470 4.056 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c3ncccc23)c1 ZINC000481866293 897235683 /nfs/dbraw/zinc/23/56/83/897235683.db2.gz WVRMBSPYXWSTJL-UHFFFAOYSA-N -1 1 411.527 4.172 20 0 HIADMM Cn1ccnc1[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(Cl)cc1 ZINC000481902149 897281441 /nfs/dbraw/zinc/28/14/41/897281441.db2.gz SNCJJTOADHWMHU-MRXNPFEDSA-N -1 1 420.694 4.061 20 0 HIADMM O=C(c1nc[n-]c1-c1nc(-c2ccc(OCc3cccnc3)cc2)no1)c1ccccc1 ZINC000481906124 897288526 /nfs/dbraw/zinc/28/85/26/897288526.db2.gz CKAONACXUIMIMN-UHFFFAOYSA-N -1 1 423.432 4.332 20 0 HIADMM O=S(=O)([N-]c1ncccc1Cl)c1cc(Br)cc(C(F)(F)F)c1 ZINC000481944753 897331574 /nfs/dbraw/zinc/33/15/74/897331574.db2.gz RJAHQZQEHDCLBU-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM Cc1ccsc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000481972876 897364362 /nfs/dbraw/zinc/36/43/62/897364362.db2.gz IKPRFUHXMIZKPH-UHFFFAOYSA-N -1 1 422.915 4.469 20 0 HIADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1nc2ccccc2n1C(F)F ZINC000482028510 897435838 /nfs/dbraw/zinc/43/58/38/897435838.db2.gz YXIKRROJMPNMOG-VIFPVBQESA-N -1 1 410.218 4.391 20 0 HIADMM CC(=O)CCc1ccc(OCCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482580251 898177224 /nfs/dbraw/zinc/17/72/24/898177224.db2.gz RWVLHCXHQXKBMF-UHFFFAOYSA-N -1 1 420.303 4.392 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccn(-c3c(F)cccc3F)n2)c1 ZINC000482582887 898178882 /nfs/dbraw/zinc/17/88/82/898178882.db2.gz WFSIGBRLBLMAOX-UHFFFAOYSA-N -1 1 408.202 4.179 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c1 ZINC000482635995 898240322 /nfs/dbraw/zinc/24/03/22/898240322.db2.gz SUKOWPFZIHQHCF-CQSZACIVSA-N -1 1 423.332 4.158 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](NC(=O)CC(C)C)c2ccccc2)c1 ZINC000482696887 898296887 /nfs/dbraw/zinc/29/68/87/898296887.db2.gz RZBMAGGJBWDCAR-GOSISDBHSA-N -1 1 419.319 4.305 20 0 HIADMM Cc1noc(C)c1Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)n1 ZINC000482755133 898361440 /nfs/dbraw/zinc/36/14/40/898361440.db2.gz LPZAQSPMBMXLPY-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccn(C(C)C)n3)cc2)cc1C ZINC000482775920 898382777 /nfs/dbraw/zinc/38/27/77/898382777.db2.gz BXANUXJDIMXJQA-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(C)=C(C)C3)c2)cc1F ZINC000482885269 898499354 /nfs/dbraw/zinc/49/93/54/898499354.db2.gz DVBCYLXNYVKVNA-UHFFFAOYSA-N -1 1 402.491 4.117 20 0 HIADMM COC(=O)c1ccc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)c(F)c1 ZINC000483141221 898820874 /nfs/dbraw/zinc/82/08/74/898820874.db2.gz GODMQLGPLQDEHL-UHFFFAOYSA-N -1 1 403.460 4.176 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCCC1 ZINC000483364185 899000731 /nfs/dbraw/zinc/00/07/31/899000731.db2.gz JYYHVOZTQFOSEC-UHFFFAOYSA-N -1 1 404.507 4.421 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)o1 ZINC000483728764 899389253 /nfs/dbraw/zinc/38/92/53/899389253.db2.gz VHKRBSTXZQHUDS-QGZVFWFLSA-N -1 1 410.511 4.013 20 0 HIADMM COc1cc(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)ccc1[N-]S(C)(=O)=O ZINC000484137399 899757992 /nfs/dbraw/zinc/75/79/92/899757992.db2.gz DJBVWXDHWYUAIR-ZDUSSCGKSA-N -1 1 417.487 4.004 20 0 HIADMM O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000484252725 899834943 /nfs/dbraw/zinc/83/49/43/899834943.db2.gz FNAKUEGNEOZGQV-UHFFFAOYSA-N -1 1 410.433 4.145 20 0 HIADMM O=C(Nc1nnc(SCc2ccccc2)s1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000484265196 899841696 /nfs/dbraw/zinc/84/16/96/899841696.db2.gz YQIRUOLKNFELAD-UHFFFAOYSA-N -1 1 421.507 4.037 20 0 HIADMM O=C(Nc1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1)c1cccs1 ZINC000484283716 899850965 /nfs/dbraw/zinc/85/09/65/899850965.db2.gz ZAIKOENTLSGNFO-UHFFFAOYSA-N -1 1 416.462 4.207 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cc(NC(=O)c2ccccc2)ccc1C ZINC000484564594 900036762 /nfs/dbraw/zinc/03/67/62/900036762.db2.gz GLBBBPDROLJVGW-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000484794910 900199855 /nfs/dbraw/zinc/19/98/55/900199855.db2.gz JNFAMDRSESPMJO-UWVGGRQHSA-N -1 1 420.316 4.466 20 0 HIADMM Cc1csc2ncnc(NCc3ccccc3[N-]S(=O)(=O)c3ccccc3)c12 ZINC000505751584 914425645 /nfs/dbraw/zinc/42/56/45/914425645.db2.gz UHUNHMCIUPOOTB-UHFFFAOYSA-N -1 1 410.524 4.413 20 0 HIADMM CCSc1cccc(F)c1[N-]C(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC000484927640 900300074 /nfs/dbraw/zinc/30/00/74/900300074.db2.gz RNFBSQWOTNGQLU-UHFFFAOYSA-N -1 1 406.433 4.416 20 0 HIADMM Cc1ccc(Cl)c(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])c1 ZINC000484932381 900303921 /nfs/dbraw/zinc/30/39/21/900303921.db2.gz BFVXBIZFIOJGSK-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000484948130 900315917 /nfs/dbraw/zinc/31/59/17/900315917.db2.gz KHKQIOCCQPNWKC-UHFFFAOYSA-N -1 1 410.373 4.061 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)cc1C ZINC000485098751 900407895 /nfs/dbraw/zinc/40/78/95/900407895.db2.gz HRHPYFDKPHDEOR-UHFFFAOYSA-N -1 1 401.513 4.054 20 0 HIADMM CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000485302967 900581845 /nfs/dbraw/zinc/58/18/45/900581845.db2.gz WMASGXDOCPJKRV-LLVKDONJSA-N -1 1 413.879 4.025 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000485397221 900694548 /nfs/dbraw/zinc/69/45/48/900694548.db2.gz SQONSQFKEXNDMJ-INIZCTEOSA-N -1 1 404.507 4.258 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H](O)CC(C)(C)C)ccc2C)c1 ZINC000485435522 900732598 /nfs/dbraw/zinc/73/25/98/900732598.db2.gz UTCWKVWAAOFFEJ-IBGZPJMESA-N -1 1 418.559 4.230 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)C4CCC4)cc3)cc2F)c1 ZINC000486083596 901272465 /nfs/dbraw/zinc/27/24/65/901272465.db2.gz AABBMVHEQWSXQF-UHFFFAOYSA-N -1 1 413.474 4.103 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c(C)c1C(=O)[O-] ZINC000486100901 901288701 /nfs/dbraw/zinc/28/87/01/901288701.db2.gz MXNMRTUPPDDVKA-UHFFFAOYSA-N -1 1 413.499 4.112 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1C(=O)[O-] ZINC000486109409 901296130 /nfs/dbraw/zinc/29/61/30/901296130.db2.gz NRMNMQSSZNAGNC-UHFFFAOYSA-N -1 1 407.536 4.168 20 0 HIADMM CN1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)c2ccccc21 ZINC000486368225 901535530 /nfs/dbraw/zinc/53/55/30/901535530.db2.gz HQIMNLUVECIAMI-UHFFFAOYSA-N -1 1 412.287 4.190 20 0 HIADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000486548449 901695081 /nfs/dbraw/zinc/69/50/81/901695081.db2.gz LLSGDOBEDWOAHY-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CSc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)o1 ZINC000486700464 901801472 /nfs/dbraw/zinc/80/14/72/901801472.db2.gz SYKBXMFLLVPUAC-UHFFFAOYSA-N -1 1 424.450 4.333 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000486847347 901894145 /nfs/dbraw/zinc/89/41/45/901894145.db2.gz QVCSFQANKGZOME-PIIMJCKOSA-N -1 1 424.444 4.491 20 0 HIADMM COC(=O)COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c2ccccc12 ZINC000486922727 901964441 /nfs/dbraw/zinc/96/44/41/901964441.db2.gz FOKAGKLZWYYUMN-UHFFFAOYSA-N -1 1 400.818 4.395 20 0 HIADMM Cc1cscc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000487013920 902014452 /nfs/dbraw/zinc/01/44/52/902014452.db2.gz LOGFQLDKMKRECA-UHFFFAOYSA-N -1 1 422.478 4.066 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC(c2ccsc2)CC1 ZINC000487204143 902101033 /nfs/dbraw/zinc/10/10/33/902101033.db2.gz OYVNOCVPNULRRR-UHFFFAOYSA-N -1 1 413.280 4.078 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC000487325344 902153404 /nfs/dbraw/zinc/15/34/04/902153404.db2.gz WRNUKCFTXQKXEP-UHFFFAOYSA-N -1 1 411.483 4.278 20 0 HIADMM O=C(C/C=C\c1cccc(F)c1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000487711834 902308052 /nfs/dbraw/zinc/30/80/52/902308052.db2.gz WRSAGDPFNHEUKZ-CLFYSBASSA-N -1 1 424.497 4.346 20 0 HIADMM Cc1ccccc1[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C1CC1 ZINC000487754020 902343752 /nfs/dbraw/zinc/34/37/52/902343752.db2.gz NTVMAORMPCNGCL-JOCHJYFZSA-N -1 1 402.498 4.061 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)c(C)c3)cc2)cc1 ZINC000487911907 902446143 /nfs/dbraw/zinc/44/61/43/902446143.db2.gz IHRMZSVZRWKQMP-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC000488231192 902708082 /nfs/dbraw/zinc/70/80/82/902708082.db2.gz JZEUSMHSVQLBDE-UHFFFAOYSA-N -1 1 412.486 4.370 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488296273 902757747 /nfs/dbraw/zinc/75/77/47/902757747.db2.gz OBWCELYSDRCDQO-NSHDSACASA-N -1 1 420.289 4.349 20 0 HIADMM CCc1cccnc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000505994696 914665882 /nfs/dbraw/zinc/66/58/82/914665882.db2.gz DEGBJPYRWYIZBM-UHFFFAOYSA-N -1 1 413.474 4.145 20 0 HIADMM CN(CCc1ccc(Br)cc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000488975364 903102084 /nfs/dbraw/zinc/10/20/84/903102084.db2.gz SJEZKXZJGAPWQF-UHFFFAOYSA-N -1 1 413.109 4.232 20 0 HIADMM Cc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)c1 ZINC000488992116 903107999 /nfs/dbraw/zinc/10/79/99/903107999.db2.gz DOFFRFYISIWYOR-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)c(F)cc2N1 ZINC000489045520 903149660 /nfs/dbraw/zinc/14/96/60/903149660.db2.gz SDHIMOWOKSKPRJ-UHFFFAOYSA-N -1 1 423.680 4.471 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1Cl ZINC000489727722 903562171 /nfs/dbraw/zinc/56/21/71/903562171.db2.gz IQKMNPHSIRUNCQ-UHFFFAOYSA-N -1 1 406.895 4.030 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000490201052 903824137 /nfs/dbraw/zinc/82/41/37/903824137.db2.gz HGIBGWQZHGQDMB-UHFFFAOYSA-N -1 1 420.579 4.457 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c(=O)[n-]1 ZINC000490344272 903937522 /nfs/dbraw/zinc/93/75/22/903937522.db2.gz JRWFTCJGHIKKBF-UHFFFAOYSA-N -1 1 411.531 4.093 20 0 HIADMM CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000490433442 904007056 /nfs/dbraw/zinc/00/70/56/904007056.db2.gz OBODHFBUXKIAIU-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3O)cc2)c1 ZINC000490686268 904174548 /nfs/dbraw/zinc/17/45/48/904174548.db2.gz ZNXOUOVBLYJSSR-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCc4occc43)c2)c1 ZINC000493230069 905056615 /nfs/dbraw/zinc/05/66/15/905056615.db2.gz OONHHKANNVSXRA-HXUWFJFHSA-N -1 1 410.495 4.196 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccccc1Nc1c(F)cccc1F ZINC000494091504 905425974 /nfs/dbraw/zinc/42/59/74/905425974.db2.gz CPTMIRHJAQVYKN-UHFFFAOYSA-N -1 1 423.423 4.255 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1CCCN1c1ccccc1 ZINC000494315320 905629825 /nfs/dbraw/zinc/62/98/25/905629825.db2.gz SVOVKQGHGRGWAH-JOCHJYFZSA-N -1 1 421.522 4.095 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)c(C)c1 ZINC000497181096 906816969 /nfs/dbraw/zinc/81/69/69/906816969.db2.gz NWZDPLRUVMNZHW-UHFFFAOYSA-N -1 1 412.467 4.115 20 0 HIADMM CCOC(=O)c1oc2ccccc2c1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000497451639 906927949 /nfs/dbraw/zinc/92/79/49/906927949.db2.gz MGGFMNXMJSHBRP-UHFFFAOYSA-N -1 1 414.483 4.279 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2cccc(C)c2)o1 ZINC000512660569 921279260 /nfs/dbraw/zinc/27/92/60/921279260.db2.gz NXCPRDGCSFITDZ-UHFFFAOYSA-N -1 1 420.874 4.194 20 0 HIADMM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000512739738 921299938 /nfs/dbraw/zinc/29/99/38/921299938.db2.gz VXXFPZLDDJGNEN-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM CCCc1ccc([C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2cccs2)cc1 ZINC000497734932 907232075 /nfs/dbraw/zinc/23/20/75/907232075.db2.gz FHJNMCRXRYEHST-FQEVSTJZSA-N -1 1 403.507 4.457 20 0 HIADMM Cc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1NC(=O)C(C)(C)C ZINC000497766403 907257456 /nfs/dbraw/zinc/25/74/56/907257456.db2.gz BNMUGVLKAFOSCJ-UHFFFAOYSA-N -1 1 404.470 4.186 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(Br)cc1F)c1ccc(F)cc1Cl ZINC000512776645 921309644 /nfs/dbraw/zinc/30/96/44/921309644.db2.gz RFHGONFNWCSSRO-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CC(=O)[C@@H](C)Sc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000498090102 907599646 /nfs/dbraw/zinc/59/96/46/907599646.db2.gz ZBCUFSIHGXRZQM-LLVKDONJSA-N -1 1 410.904 4.352 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(C4CC4)n3)cc2)cc1 ZINC000498160775 907688845 /nfs/dbraw/zinc/68/88/45/907688845.db2.gz DXUIQBQAQHSRGM-UHFFFAOYSA-N -1 1 423.494 4.021 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000498217511 907748132 /nfs/dbraw/zinc/74/81/32/907748132.db2.gz WWAAHJLNBMJKSI-NRXISQOPSA-N -1 1 412.324 4.156 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@H](c1ccccc1)C1CC1 ZINC000498290536 907821149 /nfs/dbraw/zinc/82/11/49/907821149.db2.gz JMMUZRDTAWYBRC-HSZRJFAPSA-N -1 1 420.534 4.297 20 0 HIADMM CC(C)c1nc(C(=O)[N-]c2nnc(-c3ccco3)s2)nn1-c1ccccc1Cl ZINC000498311619 907833878 /nfs/dbraw/zinc/83/38/78/907833878.db2.gz QPISWRBCSBCISW-UHFFFAOYSA-N -1 1 414.878 4.408 20 0 HIADMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000498404725 907884445 /nfs/dbraw/zinc/88/44/45/907884445.db2.gz SXKFGNXPDIFUCK-UHFFFAOYSA-N -1 1 400.544 4.230 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)N1CCc2ccccc21 ZINC000498414990 907889998 /nfs/dbraw/zinc/88/99/98/907889998.db2.gz UDZZCCQXXSCXKN-UHFFFAOYSA-N -1 1 418.518 4.179 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1Oc1ccc(C)nn1 ZINC000498488309 907960833 /nfs/dbraw/zinc/96/08/33/907960833.db2.gz RBHVISFRSHJSIF-UHFFFAOYSA-N -1 1 419.890 4.349 20 0 HIADMM CCN(CC(F)(F)F)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000498739601 908168089 /nfs/dbraw/zinc/16/80/89/908168089.db2.gz IZSAILYHNKYYSF-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)c(C)c1 ZINC000499158919 908514744 /nfs/dbraw/zinc/51/47/44/908514744.db2.gz RMYZXWRZKGRNJE-UHFFFAOYSA-N -1 1 413.337 4.023 20 0 HIADMM Cc1nn2cc(S(=O)(=O)[N-]c3cc(Cl)c(C)cc3Cl)cnc2c1Cl ZINC000499279911 908658089 /nfs/dbraw/zinc/65/80/89/908658089.db2.gz FZMDPLOXDHIYES-UHFFFAOYSA-N -1 1 405.694 4.107 20 0 HIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000499306310 908679050 /nfs/dbraw/zinc/67/90/50/908679050.db2.gz JOEPUDIFTZBMTB-UHFFFAOYSA-N -1 1 412.862 4.162 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000499501381 908818907 /nfs/dbraw/zinc/81/89/07/908818907.db2.gz FFUAJSYYXLVWIX-GFCCVEGCSA-N -1 1 413.465 4.384 20 0 HIADMM CCCN(CC(C)C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000499658677 908867320 /nfs/dbraw/zinc/86/73/20/908867320.db2.gz LZUAXQNCUPKCOT-UHFFFAOYSA-N -1 1 406.523 4.064 20 0 HIADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)c([O-])c2)cc1OC ZINC000499739900 908894962 /nfs/dbraw/zinc/89/49/62/908894962.db2.gz JETNLIUECIDSMC-HNNXBMFYSA-N -1 1 406.276 4.149 20 0 HIADMM COc1ccccc1CC1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000499841644 908972344 /nfs/dbraw/zinc/97/23/44/908972344.db2.gz FWTZYOGKUGPPJA-UHFFFAOYSA-N -1 1 404.304 4.258 20 0 HIADMM CC(C)C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000500139841 909614990 /nfs/dbraw/zinc/61/49/90/909614990.db2.gz AQWYBEYXWBJXMP-LJQANCHMSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3CC(C)C)c2)c1 ZINC000500153317 909630463 /nfs/dbraw/zinc/63/04/63/909630463.db2.gz YTDXZYFIJRDYRS-HXUWFJFHSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(Cl)c2)cc1C(F)(F)F ZINC000500292329 909761119 /nfs/dbraw/zinc/76/11/19/909761119.db2.gz ZIJRPAOVMGXGDB-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)cc1C(F)(F)F ZINC000500311667 909773712 /nfs/dbraw/zinc/77/37/12/909773712.db2.gz CGRDMJAIEOVZPM-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM Cc1ncc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)s1 ZINC000500878296 910151573 /nfs/dbraw/zinc/15/15/73/910151573.db2.gz JEQNESWGQUQQFO-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC(C)C)C3CC3)c2)cc1 ZINC000513107297 921554748 /nfs/dbraw/zinc/55/47/48/921554748.db2.gz DZBAOSKIICWKFO-UHFFFAOYSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)s1 ZINC000500920299 910185707 /nfs/dbraw/zinc/18/57/07/910185707.db2.gz SWBKBUPDECKDAU-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(OCCc3ccccc3)c2)c(=O)[n-]1 ZINC000501630455 910727591 /nfs/dbraw/zinc/72/75/91/910727591.db2.gz VREOLEUSQMQYNF-UHFFFAOYSA-N -1 1 423.538 4.405 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c(C)c1 ZINC000501817542 910865669 /nfs/dbraw/zinc/86/56/69/910865669.db2.gz GXBBCKCBTFIBKN-KRWDZBQOSA-N -1 1 416.543 4.209 20 0 HIADMM COc1ccccc1C1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000501883403 910902862 /nfs/dbraw/zinc/90/28/62/910902862.db2.gz ULIWIQYZBXQJID-UHFFFAOYSA-N -1 1 422.506 4.166 20 0 HIADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000502045436 910998539 /nfs/dbraw/zinc/99/85/39/910998539.db2.gz KFLGKKMUFMVODC-HNNXBMFYSA-N -1 1 408.470 4.043 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3c(C)n[nH]c3C(F)F)cc2)cc1 ZINC000502429691 911408356 /nfs/dbraw/zinc/40/83/56/911408356.db2.gz DHXUYATZSVLCRD-UHFFFAOYSA-N -1 1 409.414 4.257 20 0 HIADMM CC(=O)c1c(C)oc2ncnc([N-]c3nc(-c4ccc5c(c4)CC(=O)N5)cs3)c21 ZINC000502744101 911767776 /nfs/dbraw/zinc/76/77/76/911767776.db2.gz MTQWTDIHKAOKMP-UHFFFAOYSA-N -1 1 405.439 4.096 20 0 HIADMM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000502750407 911771233 /nfs/dbraw/zinc/77/12/33/911771233.db2.gz XDWAIYMQZFAOTL-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM CC[C@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCO1 ZINC000502957073 911939767 /nfs/dbraw/zinc/93/97/67/911939767.db2.gz FAARLFHMAMTGNW-KSSFIOAISA-N -1 1 422.934 4.285 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccccc1Sc1ccccc1 ZINC000503057476 912022976 /nfs/dbraw/zinc/02/29/76/912022976.db2.gz CSXYLLHUQHRXSC-UHFFFAOYSA-N -1 1 418.522 4.062 20 0 HIADMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cnc(-c2ncccn2)s1 ZINC000503163583 912134871 /nfs/dbraw/zinc/13/48/71/912134871.db2.gz UNZUNIYPDPDTRL-UHFFFAOYSA-N -1 1 424.555 4.172 20 0 HIADMM CC(C)COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000503215010 912196332 /nfs/dbraw/zinc/19/63/32/912196332.db2.gz DKCSDMKLGYCOJA-UHFFFAOYSA-N -1 1 420.498 4.073 20 0 HIADMM Cc1nc(S(=O)(=O)[N-][C@H](Cc2ccc(Cl)cc2)c2ccccn2)sc1C ZINC000503217795 912201790 /nfs/dbraw/zinc/20/17/90/912201790.db2.gz BAUIUVWMJQOUHY-QGZVFWFLSA-N -1 1 407.948 4.071 20 0 HIADMM CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C)C1CCCC1 ZINC000506297887 914892317 /nfs/dbraw/zinc/89/23/17/914892317.db2.gz AVJFOOMSVWJCPO-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM Cc1oc(C(C)C)nc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000506482538 915088514 /nfs/dbraw/zinc/08/85/14/915088514.db2.gz UDOMFNHKXVRRLN-UHFFFAOYSA-N -1 1 413.499 4.468 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000506518382 915149614 /nfs/dbraw/zinc/14/96/14/915149614.db2.gz STJTZMIJTRIXIY-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCc1cc2ccccc2s1 ZINC000506532373 915175104 /nfs/dbraw/zinc/17/51/04/915175104.db2.gz FGBYLFMMPRKNSD-UHFFFAOYSA-N -1 1 418.522 4.059 20 0 HIADMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)ccc21 ZINC000506630610 915294430 /nfs/dbraw/zinc/29/44/30/915294430.db2.gz DWIJUPZHDMDRTK-UHFFFAOYSA-N -1 1 406.507 4.454 20 0 HIADMM CN(C)c1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)cc2)o1 ZINC000506835647 915613419 /nfs/dbraw/zinc/61/34/19/915613419.db2.gz RNUVCCQLUZTSRR-UHFFFAOYSA-N -1 1 420.494 4.270 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)ccc2o1 ZINC000506847711 915628184 /nfs/dbraw/zinc/62/81/84/915628184.db2.gz AFSJYCBXAJNHIY-UHFFFAOYSA-N -1 1 408.479 4.485 20 0 HIADMM Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cccc([O-])c4Cl)CC3)n2)cc1 ZINC000507361327 916115743 /nfs/dbraw/zinc/11/57/43/916115743.db2.gz VPKMTAVRYBTRQA-INIZCTEOSA-N -1 1 412.921 4.283 20 0 HIADMM O=S(=O)([N-]Cc1ccc(-c2nc3ccccc3s2)o1)c1cccc(F)c1F ZINC000507476482 916246072 /nfs/dbraw/zinc/24/60/72/916246072.db2.gz KGMBVQWEZIQUDE-UHFFFAOYSA-N -1 1 406.435 4.313 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(Br)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000507600321 916355000 /nfs/dbraw/zinc/35/50/00/916355000.db2.gz YKJWCCXFRVTERO-UHFFFAOYSA-N -1 1 406.660 4.073 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1OC ZINC000507612468 916370364 /nfs/dbraw/zinc/37/03/64/916370364.db2.gz CNHMUOKISYFQLL-UHFFFAOYSA-N -1 1 400.428 4.052 20 0 HIADMM O=C(COc1ccc(Cl)cc1C1CCCCC1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507887716 916734963 /nfs/dbraw/zinc/73/49/63/916734963.db2.gz LDEQLZCALKYAPD-HNNXBMFYSA-N -1 1 419.909 4.261 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCC(F)(F)F)ccc2C)cc1 ZINC000508758664 917513834 /nfs/dbraw/zinc/51/38/34/917513834.db2.gz UFUMDHMHJLUAFD-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)c1 ZINC000509079648 917823892 /nfs/dbraw/zinc/82/38/92/917823892.db2.gz GHSDGCRDYSECME-UHFFFAOYSA-N -1 1 414.508 4.101 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000509103576 917842469 /nfs/dbraw/zinc/84/24/69/917842469.db2.gz QFPCPKDYMCGREB-UHFFFAOYSA-N -1 1 404.557 4.226 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000509164154 917879451 /nfs/dbraw/zinc/87/94/51/917879451.db2.gz HHQVHUNCDSHLQZ-UHFFFAOYSA-N -1 1 400.719 4.037 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c2ccccc12 ZINC000509377556 918043929 /nfs/dbraw/zinc/04/39/29/918043929.db2.gz XOERFWBLUMTGFE-UHFFFAOYSA-N -1 1 405.479 4.390 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)ccc1F ZINC000509390419 918055552 /nfs/dbraw/zinc/05/55/52/918055552.db2.gz HYNYULUREPFBDW-UHFFFAOYSA-N -1 1 417.437 4.094 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000509714729 918341974 /nfs/dbraw/zinc/34/19/74/918341974.db2.gz NALFZWXOICCYDA-RJRNSMGGSA-N -1 1 414.509 4.190 20 0 HIADMM CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000510061210 918631509 /nfs/dbraw/zinc/63/15/09/918631509.db2.gz OKMBETDRWGWYFC-UHFFFAOYSA-N -1 1 416.481 4.063 20 0 HIADMM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)cc2)n1 ZINC000510162994 918714317 /nfs/dbraw/zinc/71/43/17/918714317.db2.gz LCSQVRYDFUPNOU-UHFFFAOYSA-N -1 1 421.478 4.425 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000510722722 919167113 /nfs/dbraw/zinc/16/71/13/919167113.db2.gz QAGGMHBKRXJROO-ZDUSSCGKSA-N -1 1 420.435 4.223 20 0 HIADMM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000510973103 919518325 /nfs/dbraw/zinc/51/83/25/919518325.db2.gz BBDTULCVWXNXFD-UHFFFAOYSA-N -1 1 421.526 4.031 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000511155393 919774317 /nfs/dbraw/zinc/77/43/17/919774317.db2.gz MOHRSWPMCRGQFQ-UHFFFAOYSA-N -1 1 400.544 4.312 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1OCC ZINC000511189603 919808404 /nfs/dbraw/zinc/80/84/04/919808404.db2.gz LSROPWLOMXPLHM-UHFFFAOYSA-N -1 1 414.483 4.472 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)c2)oc1C ZINC000511230828 919834510 /nfs/dbraw/zinc/83/45/10/919834510.db2.gz DBDDUTFROOVVQY-UHFFFAOYSA-N -1 1 411.483 4.034 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3=CCCC3)cc2)cc1 ZINC000511234706 919839932 /nfs/dbraw/zinc/83/99/32/919839932.db2.gz VJPDQJQUSBFQRC-UHFFFAOYSA-N -1 1 414.527 4.116 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1OC ZINC000511273760 919870218 /nfs/dbraw/zinc/87/02/18/919870218.db2.gz XOTFVWCWGQOZFA-UHFFFAOYSA-N -1 1 402.472 4.085 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4[nH]cnc4c3)c2)c1 ZINC000511298122 919892909 /nfs/dbraw/zinc/89/29/09/919892909.db2.gz ANMOTKPAGBJSIU-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(Cl)c2)c2ccccc12 ZINC000511727117 920393530 /nfs/dbraw/zinc/39/35/30/920393530.db2.gz NTHBTMSUQHISHC-UHFFFAOYSA-N -1 1 418.902 4.004 20 0 HIADMM CCCOc1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1Cl ZINC000511838038 920547801 /nfs/dbraw/zinc/54/78/01/920547801.db2.gz KDJFTTGGNBSOAO-UHFFFAOYSA-N -1 1 402.882 4.065 20 0 HIADMM Cn1ncc2c1[n-]cc(C(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1)c2=O ZINC000512043736 920813885 /nfs/dbraw/zinc/81/38/85/920813885.db2.gz YMAKCNPKSGYOIK-UHFFFAOYSA-N -1 1 418.419 4.278 20 0 HIADMM Cc1ccc(OCc2cccc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c2)cn1 ZINC000512108120 920864840 /nfs/dbraw/zinc/86/48/40/920864840.db2.gz WIMFJAHKHMNACF-UHFFFAOYSA-N -1 1 400.438 4.317 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)[C@H](C)CC)cc2)cc1 ZINC000512131097 920878744 /nfs/dbraw/zinc/87/87/44/920878744.db2.gz NUCAQWQLGDSKEB-HZPDHXFCSA-N -1 1 404.532 4.051 20 0 HIADMM Cc1ccc2c(c1)CN(C(=O)CCc1c(C)nc(-c3cccnc3)[n-]c1=O)C(C)(C)C2 ZINC000513636126 921962111 /nfs/dbraw/zinc/96/21/11/921962111.db2.gz WILLGXCOTIRRMO-UHFFFAOYSA-N -1 1 416.525 4.157 20 0 HIADMM O=C(Cc1c[nH]c2cccc(Br)c12)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000513718911 922039230 /nfs/dbraw/zinc/03/92/30/922039230.db2.gz QQMFQPXJYWNKSN-UHFFFAOYSA-N -1 1 411.259 4.207 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)s1 ZINC000515574310 923190154 /nfs/dbraw/zinc/19/01/54/923190154.db2.gz PZSMUTQKLGKIAU-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2F)n1 ZINC000515632046 923232621 /nfs/dbraw/zinc/23/26/21/923232621.db2.gz FNVYDTWJAZAANP-UHFFFAOYSA-N -1 1 424.295 4.192 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(CC1CC1)C(C)C ZINC000515818146 923371084 /nfs/dbraw/zinc/37/10/84/923371084.db2.gz XMZXQBWJPKYTCP-UHFFFAOYSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1ccc(C2CCC2)cn1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000516107839 923545563 /nfs/dbraw/zinc/54/55/63/923545563.db2.gz KSFCWSLVRQFAKR-UHFFFAOYSA-N -1 1 407.495 4.402 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1 ZINC000516769848 923882177 /nfs/dbraw/zinc/88/21/77/923882177.db2.gz MQTNUCKKZUWRNV-UHFFFAOYSA-N -1 1 402.438 4.496 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2C(F)(F)F)cc1 ZINC000516772287 923883750 /nfs/dbraw/zinc/88/37/50/923883750.db2.gz SMHDGCGMUMQFJU-UHFFFAOYSA-N -1 1 417.449 4.175 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1 ZINC000516786364 923886210 /nfs/dbraw/zinc/88/62/10/923886210.db2.gz UEEICJIISSPJMN-UHFFFAOYSA-N -1 1 415.540 4.093 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C3CCCCC3)C2)cc1 ZINC000516991359 923955546 /nfs/dbraw/zinc/95/55/46/923955546.db2.gz PPTTTZRVHNZYPL-UHFFFAOYSA-N -1 1 412.555 4.448 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000517457931 924203627 /nfs/dbraw/zinc/20/36/27/924203627.db2.gz PRJRNBRDWFWZQX-OXQOHEQNSA-N -1 1 424.522 4.442 20 0 HIADMM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000517611602 926718879 /nfs/dbraw/zinc/71/88/79/926718879.db2.gz SUNIIXQAAYJLQG-UHFFFAOYSA-N -1 1 408.829 4.148 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Nc2nc(C)cs2)cc1 ZINC000517680247 926785561 /nfs/dbraw/zinc/78/55/61/926785561.db2.gz NHQJYTMDOBGONY-UHFFFAOYSA-N -1 1 416.528 4.209 20 0 HIADMM O=C(NC[C@@H]1CCc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000517701580 926802638 /nfs/dbraw/zinc/80/26/38/926802638.db2.gz UACKWNRHHISHKU-SFHVURJKSA-N -1 1 424.497 4.086 20 0 HIADMM O=C(NC[C@H]1CCc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000517701578 926802779 /nfs/dbraw/zinc/80/27/79/926802779.db2.gz UACKWNRHHISHKU-GOSISDBHSA-N -1 1 424.497 4.086 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OC[C@H]2CCCCO2)c(C)c1 ZINC000517725742 926814703 /nfs/dbraw/zinc/81/47/03/926814703.db2.gz FAMNTEPKRVGZSM-QGZVFWFLSA-N -1 1 405.516 4.061 20 0 HIADMM Cc1ccc(NC(=O)CC(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000517875356 926871426 /nfs/dbraw/zinc/87/14/26/926871426.db2.gz DYPHMBCYPIHLGG-UHFFFAOYSA-N -1 1 406.813 4.340 20 0 HIADMM CCO[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000517880072 926872401 /nfs/dbraw/zinc/87/24/01/926872401.db2.gz UIAHOKPCNJVTBK-OAQYLSRUSA-N -1 1 410.495 4.204 20 0 HIADMM Cc1cccc(Oc2ccccc2CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000518050949 926988411 /nfs/dbraw/zinc/98/84/11/926988411.db2.gz QZQIMUIFPIYNEA-UHFFFAOYSA-N -1 1 416.481 4.011 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3NC(=O)C[C@@H]3C=CCC3)ccc2O1 ZINC000518075100 927007702 /nfs/dbraw/zinc/00/77/02/927007702.db2.gz LQLNWHMOIQIAJQ-JKSUJKDBSA-N -1 1 412.511 4.106 20 0 HIADMM O=C([O-])CC1(CC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)CCCC1 ZINC000518302648 927162573 /nfs/dbraw/zinc/16/25/73/927162573.db2.gz JSEVNEQXDFUITF-LJQANCHMSA-N -1 1 406.954 4.236 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N(C)C)cc1Cl ZINC000518328566 927193676 /nfs/dbraw/zinc/19/36/76/927193676.db2.gz GUTDWULQCOOMEJ-UHFFFAOYSA-N -1 1 408.829 4.234 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1cc(Br)ccc1F ZINC000518532474 927332160 /nfs/dbraw/zinc/33/21/60/927332160.db2.gz UXKBTEAKELHVCU-GOSISDBHSA-N -1 1 421.291 4.051 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)c2cccnc12 ZINC000518997765 927681090 /nfs/dbraw/zinc/68/10/90/927681090.db2.gz ZSVKUUGXYZYQIX-UHFFFAOYSA-N -1 1 407.289 4.115 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1c1cccnc1 ZINC000519013351 927693011 /nfs/dbraw/zinc/69/30/11/927693011.db2.gz XRVRVSIXPRFAIN-NRFANRHFSA-N -1 1 421.522 4.106 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc1 ZINC000519059287 927736542 /nfs/dbraw/zinc/73/65/42/927736542.db2.gz WQQZKTFOQGOKRT-INIZCTEOSA-N -1 1 400.544 4.230 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccncc3)cc2)cc1C ZINC000519202634 927825490 /nfs/dbraw/zinc/82/54/90/927825490.db2.gz GASFHZUPIPGAHJ-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(C)(C)C ZINC000519254176 927848822 /nfs/dbraw/zinc/84/88/22/927848822.db2.gz KMOLKVGMEIIGTH-SFHVURJKSA-N -1 1 410.486 4.320 20 0 HIADMM COc1cc(Cl)ccc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000519267306 927856593 /nfs/dbraw/zinc/85/65/93/927856593.db2.gz NSNYMTDTXMPRNU-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4nc(N5CCCC5)sc4c3)ccc2O1 ZINC000519267548 927856642 /nfs/dbraw/zinc/85/66/42/927856642.db2.gz FWZZOHZGUWDBBY-CYBMUJFWSA-N -1 1 415.540 4.021 20 0 HIADMM Cc1ccc(C(=O)N2Cc3ccccc3C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000519280834 927862540 /nfs/dbraw/zinc/86/25/40/927862540.db2.gz HKOUCTJZKRLMNJ-UHFFFAOYSA-N -1 1 410.470 4.091 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)CC3)ccc2C)c1 ZINC000519880266 928115372 /nfs/dbraw/zinc/11/53/72/928115372.db2.gz LDTZZAHNYXICDZ-MRXNPFEDSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)CC2CCCC2)c1 ZINC000519899917 928134939 /nfs/dbraw/zinc/13/49/39/928134939.db2.gz ONNDXRWQEQMXMG-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H]3CC=CCC3)c2)cc1F ZINC000519978118 928203492 /nfs/dbraw/zinc/20/34/92/928203492.db2.gz FZAVFNVDSMSLSF-INIZCTEOSA-N -1 1 402.491 4.021 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)CC3)cc2)cc1C ZINC000520138315 928334443 /nfs/dbraw/zinc/33/44/43/928334443.db2.gz VKSYYVHGVCKFSF-MRXNPFEDSA-N -1 1 400.544 4.366 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)CC3)cc2)cc1 ZINC000520139779 928335811 /nfs/dbraw/zinc/33/58/11/928335811.db2.gz NOTKSFRYGVGSSK-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000520617240 928676395 /nfs/dbraw/zinc/67/63/95/928676395.db2.gz SXCZCZUCTOGXGX-INIZCTEOSA-N -1 1 412.555 4.157 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000520843874 928840768 /nfs/dbraw/zinc/84/07/68/928840768.db2.gz PPLOSMUVPVJWGU-UHFFFAOYSA-N -1 1 404.385 4.249 20 0 HIADMM COc1ccc(Cc2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)cc1 ZINC000521045951 928959635 /nfs/dbraw/zinc/95/96/35/928959635.db2.gz XCDNXWUSJLHAPZ-UHFFFAOYSA-N -1 1 421.478 4.137 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3-n3cccn3)ccc2O1 ZINC000521569968 929303241 /nfs/dbraw/zinc/30/32/41/929303241.db2.gz GOGFEQCGVQRRHF-LBPRGKRZSA-N -1 1 423.416 4.015 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@H](C)CC1 ZINC000521721828 929389947 /nfs/dbraw/zinc/38/99/47/929389947.db2.gz RBEINFGDGXMUTC-HNNXBMFYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000521760698 929420709 /nfs/dbraw/zinc/42/07/09/929420709.db2.gz NPGHGVDQAYPSOK-UHFFFAOYSA-N -1 1 416.886 4.340 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccsc3)no2)cc1)c1ccc(F)cc1 ZINC000521893535 929541690 /nfs/dbraw/zinc/54/16/90/929541690.db2.gz RVIUEQIEGUDMSF-UHFFFAOYSA-N -1 1 401.444 4.405 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000521900915 929545183 /nfs/dbraw/zinc/54/51/83/929545183.db2.gz FQDJEKITPBXFCV-HDICACEKSA-N -1 1 418.559 4.136 20 0 HIADMM COc1cc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)ccc1OC(F)F ZINC000525194073 930081814 /nfs/dbraw/zinc/08/18/14/930081814.db2.gz YZIDLXVPRSCYBZ-UHFFFAOYSA-N -1 1 402.401 4.083 20 0 HIADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000525201476 930085083 /nfs/dbraw/zinc/08/50/83/930085083.db2.gz ULVVTZFECKCSGX-IBGZPJMESA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC(C2CC2)C2CC2)c1 ZINC000525218814 930090124 /nfs/dbraw/zinc/09/01/24/930090124.db2.gz VBGYVYKONCXVMK-UHFFFAOYSA-N -1 1 412.555 4.270 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C)c2)cc1 ZINC000525311867 930150186 /nfs/dbraw/zinc/15/01/86/930150186.db2.gz QGZYMFWLTGNJPY-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)cc1 ZINC000525481433 930270369 /nfs/dbraw/zinc/27/03/69/930270369.db2.gz TUUWWMAEJSIHLZ-UHFFFAOYSA-N -1 1 413.451 4.075 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@@H](C)C(C)C ZINC000525521991 930300122 /nfs/dbraw/zinc/30/01/22/930300122.db2.gz KGOBWYRHUXMDDJ-ZDUSSCGKSA-N -1 1 410.923 4.380 20 0 HIADMM COc1ccccc1C1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000525583555 930345958 /nfs/dbraw/zinc/34/59/58/930345958.db2.gz FUBQOTPSCBHMCL-UHFFFAOYSA-N -1 1 422.506 4.166 20 0 HIADMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccncc1 ZINC000525585836 930347117 /nfs/dbraw/zinc/34/71/17/930347117.db2.gz RSFDPYADKAMCCG-NRFANRHFSA-N -1 1 409.511 4.072 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C)c(I)c2)cc(Cl)c1[O-] ZINC000525952957 930493559 /nfs/dbraw/zinc/49/35/59/930493559.db2.gz PDJQYGNDYAOGDS-UHFFFAOYSA-N -1 1 417.630 4.220 20 0 HIADMM COc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000525953133 930494024 /nfs/dbraw/zinc/49/40/24/930494024.db2.gz SAEUQTTZHCXABO-KRWDZBQOSA-N -1 1 405.878 4.175 20 0 HIADMM Cn1ccc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc21 ZINC000526950301 930555858 /nfs/dbraw/zinc/55/58/58/930555858.db2.gz BOAOGXRUOXDFAR-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM COc1ccc(NC(=O)N[C@H](C)c2cccc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000530624421 930776760 /nfs/dbraw/zinc/77/67/60/930776760.db2.gz VGMAFSJUFRXDFS-CQSZACIVSA-N -1 1 413.499 4.103 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1sccc1Br ZINC000530955784 930867743 /nfs/dbraw/zinc/86/77/43/930867743.db2.gz CYZHLRRTEDIEFB-UHFFFAOYSA-N -1 1 424.301 4.448 20 0 HIADMM C[C@H]1c2ccccc2CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000531124632 930933041 /nfs/dbraw/zinc/93/30/41/930933041.db2.gz XOYZMISAUOAOOF-KRWDZBQOSA-N -1 1 406.507 4.247 20 0 HIADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccccc3COc3ccccc3)ccc2NC1=O ZINC000531521934 931090470 /nfs/dbraw/zinc/09/04/70/931090470.db2.gz KVDZEWDMFDKIIO-UHFFFAOYSA-N -1 1 422.506 4.296 20 0 HIADMM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000531732717 931177081 /nfs/dbraw/zinc/17/70/81/931177081.db2.gz MXDFXXDPNXVJOF-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])oc1C ZINC000531756248 931183932 /nfs/dbraw/zinc/18/39/32/931183932.db2.gz ZRDJNZGKRATLMD-UHFFFAOYSA-N -1 1 420.874 4.309 20 0 HIADMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)[nH]n2)cc1C ZINC000532287026 931384755 /nfs/dbraw/zinc/38/47/55/931384755.db2.gz QKXMYFQVVBRAEN-UHFFFAOYSA-N -1 1 424.526 4.032 20 0 HIADMM O=C(NC1(C2CC2)CC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000532377075 931415292 /nfs/dbraw/zinc/41/52/92/931415292.db2.gz FRVQFROYMHHWCC-UHFFFAOYSA-N -1 1 424.444 4.179 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c2cccnc12 ZINC000532614021 931554573 /nfs/dbraw/zinc/55/45/73/931554573.db2.gz ZWKVOXRKKKNNAJ-UHFFFAOYSA-N -1 1 413.499 4.029 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1S(C)(=O)=O ZINC000533953820 932127619 /nfs/dbraw/zinc/12/76/19/932127619.db2.gz VINLZDIKNSFXJQ-UHFFFAOYSA-N -1 1 409.916 4.006 20 0 HIADMM Cc1ccc(NC(=O)c2scnc2C2CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000534143170 932300938 /nfs/dbraw/zinc/30/09/38/932300938.db2.gz KKLSFRPXJVBVRQ-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)c(C)c2)ccc1C ZINC000534167196 932312217 /nfs/dbraw/zinc/31/22/17/932312217.db2.gz CBWUWHKVUXOASS-UHFFFAOYSA-N -1 1 418.515 4.018 20 0 HIADMM CCOc1ccccc1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000534394499 932420344 /nfs/dbraw/zinc/42/03/44/932420344.db2.gz KKBRVJJUXQXDCW-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cc(F)cc(Cl)c3)n2)ccc1F ZINC000534409352 932430407 /nfs/dbraw/zinc/43/04/07/932430407.db2.gz CRCLWYAPVHUOFR-JTQLQIEISA-N -1 1 413.833 4.016 20 0 HIADMM CSc1ccc(-c2nsc([N-]C(=O)c3csc([C@@H]4CCCO4)n3)n2)cc1 ZINC000534472909 932499568 /nfs/dbraw/zinc/49/95/68/932499568.db2.gz JAEGBVPMHCTMGC-ZDUSSCGKSA-N -1 1 404.542 4.487 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(c1ccccn1)C2)c1ccc(C(F)(F)F)cc1 ZINC000534495501 932531622 /nfs/dbraw/zinc/53/16/22/932531622.db2.gz YNSXSGDECOGGMU-UHFFFAOYSA-N -1 1 419.428 4.421 20 0 HIADMM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000534603514 932588193 /nfs/dbraw/zinc/58/81/93/932588193.db2.gz UEFKIRBTYYRSLU-VIFPVBQESA-N -1 1 411.854 4.360 20 0 HIADMM COc1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1F ZINC000534901572 932830194 /nfs/dbraw/zinc/83/01/94/932830194.db2.gz RWSAAAIJGVZQRT-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM COC(=O)c1csc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000534943124 932849499 /nfs/dbraw/zinc/84/94/99/932849499.db2.gz LOFDMTNLCGDCAZ-UHFFFAOYSA-N -1 1 400.692 4.296 20 0 HIADMM O=S(=O)([N-][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1c(Cl)cccc1Cl ZINC000535358486 933091314 /nfs/dbraw/zinc/09/13/14/933091314.db2.gz ZDGGOFKDQDXKDQ-ZDUSSCGKSA-N -1 1 414.232 4.024 20 0 HIADMM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cc(Cl)c(O)cc1Cl)CC3 ZINC000535400718 933116806 /nfs/dbraw/zinc/11/68/06/933116806.db2.gz WIPNIBFLVSGEPE-WEVVVXLNSA-N -1 1 403.221 4.051 20 0 HIADMM Cc1cc([C@@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C2CC2)ccc1F ZINC000535490921 933179653 /nfs/dbraw/zinc/17/96/53/933179653.db2.gz OJKPASBFPBOTMT-QFIPXVFZSA-N -1 1 420.488 4.200 20 0 HIADMM COc1cccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1F ZINC000535613917 933269436 /nfs/dbraw/zinc/26/94/36/933269436.db2.gz QAWMJIIRDMVSJA-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1Br ZINC000535653533 933296367 /nfs/dbraw/zinc/29/63/67/933296367.db2.gz BEYWUXXEFQDDKJ-UHFFFAOYSA-N -1 1 407.289 4.197 20 0 HIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cnn(-c2ccccc2)c1 ZINC000535656766 933300981 /nfs/dbraw/zinc/30/09/81/933300981.db2.gz SCDWWRVNBOVYLR-UHFFFAOYSA-N -1 1 401.797 4.345 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1C ZINC000535895078 933474987 /nfs/dbraw/zinc/47/49/87/933474987.db2.gz NGWVDWRXLDYQAM-UHFFFAOYSA-N -1 1 401.887 4.141 20 0 HIADMM Cc1nc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C)c2ccc(Cl)cc2)no1 ZINC000536121249 933671031 /nfs/dbraw/zinc/67/10/31/933671031.db2.gz JPBZXOYQORLCHB-MRXNPFEDSA-N -1 1 412.298 4.061 20 0 HIADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc2cccc(Br)c2n1 ZINC000537353693 933731642 /nfs/dbraw/zinc/73/16/42/933731642.db2.gz MLACHXSAWONCKB-UHFFFAOYSA-N -1 1 413.243 4.217 20 0 HIADMM O=C(N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000537421255 933769627 /nfs/dbraw/zinc/76/96/27/933769627.db2.gz CRHCGMCCJCNPGQ-GDBMZVCRSA-N -1 1 401.388 4.008 20 0 HIADMM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CCOCC1)c1cc(Cl)ccc1F ZINC000562841236 945124256 /nfs/dbraw/zinc/12/42/56/945124256.db2.gz MBYJAISOTZRUBP-UHFFFAOYSA-N -1 1 404.290 4.117 20 0 HIADMM O=C(NC/C=C\c1ccccc1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000537587461 938329320 /nfs/dbraw/zinc/32/93/20/938329320.db2.gz SHUQONTXSFPGFU-XFXZXTDPSA-N -1 1 421.522 4.000 20 0 HIADMM O=C(NC/C=C\c1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000537586207 938329359 /nfs/dbraw/zinc/32/93/59/938329359.db2.gz IUMGWFPQUJIYHU-DAXSKMNVSA-N -1 1 410.470 4.070 20 0 HIADMM O=C(NC/C=C/c1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000537586214 938329374 /nfs/dbraw/zinc/32/93/74/938329374.db2.gz IUMGWFPQUJIYHU-QPJJXVBHSA-N -1 1 410.470 4.070 20 0 HIADMM COCCC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000537594372 938330723 /nfs/dbraw/zinc/33/07/23/938330723.db2.gz SYYOLVZUPGVZDN-OAHLLOKOSA-N -1 1 424.950 4.450 20 0 HIADMM CCc1cnccc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000537994870 938454570 /nfs/dbraw/zinc/45/45/70/938454570.db2.gz GMTPQZKQCYXIDK-KRWDZBQOSA-N -1 1 423.538 4.244 20 0 HIADMM COCCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1Cl ZINC000538013656 938462076 /nfs/dbraw/zinc/46/20/76/938462076.db2.gz COKFXHCLVXQYGI-UHFFFAOYSA-N -1 1 408.278 4.267 20 0 HIADMM O=C(CC1(Cc2nc3ccccc3s2)CCCCC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000538228345 938566545 /nfs/dbraw/zinc/56/65/45/938566545.db2.gz VPISKGDBJUDPCA-MRXNPFEDSA-N -1 1 424.574 4.099 20 0 HIADMM Cc1nc(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[n-]c(=O)c1C ZINC000538516805 938639600 /nfs/dbraw/zinc/63/96/00/938639600.db2.gz RDEPLCLUODMPLV-LJQANCHMSA-N -1 1 411.552 4.127 20 0 HIADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(Br)c(Cl)c3)ccc12 ZINC000538757039 938703268 /nfs/dbraw/zinc/70/32/68/938703268.db2.gz OZPIRWGMWUQBNS-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(Br)c(Cl)c3)ccc12 ZINC000538757039 938703270 /nfs/dbraw/zinc/70/32/70/938703270.db2.gz OZPIRWGMWUQBNS-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc(Br)ccc2C)n[nH]c1-c1ccccc1 ZINC000539112061 938804661 /nfs/dbraw/zinc/80/46/61/938804661.db2.gz FKCLALVHMUYCGI-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM Cc1ccsc1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000539117765 938805182 /nfs/dbraw/zinc/80/51/82/938805182.db2.gz TYJMJVQGUGOSDP-UHFFFAOYSA-N -1 1 412.733 4.133 20 0 HIADMM O=C([O-])COc1cccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1 ZINC000539573335 938881744 /nfs/dbraw/zinc/88/17/44/938881744.db2.gz CRHAXKMJCXTMMT-UHFFFAOYSA-N -1 1 419.412 4.009 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000540212292 939130518 /nfs/dbraw/zinc/13/05/18/939130518.db2.gz WGJHVRVRGNNRST-KRWDZBQOSA-N -1 1 416.543 4.289 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c(C)n1C1CCCCC1 ZINC000540248351 939165712 /nfs/dbraw/zinc/16/57/12/939165712.db2.gz LCHULEBKYAYDMB-UHFFFAOYSA-N -1 1 407.511 4.373 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc(OCc2cccs2)c1 ZINC000540250029 939168416 /nfs/dbraw/zinc/16/84/16/939168416.db2.gz HUZYDNMDJBLXFP-UHFFFAOYSA-N -1 1 420.487 4.090 20 0 HIADMM Cc1ccc(S[C@@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c2ccccc2)c(C)c1 ZINC000540423284 939242738 /nfs/dbraw/zinc/24/27/38/939242738.db2.gz RCMRDUFSTKIGOA-AZUAARDMSA-N -1 1 407.543 4.056 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Nc2ccc(F)cc2)ccc1[O-] ZINC000540697469 939342303 /nfs/dbraw/zinc/34/23/03/939342303.db2.gz UMXCJLNDELKRTQ-UHFFFAOYSA-N -1 1 415.446 4.034 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCO[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000540706541 939344649 /nfs/dbraw/zinc/34/46/49/939344649.db2.gz VHBRDVHGMBWXII-GJZGRUSLSA-N -1 1 422.934 4.203 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnc3c(C)cc(F)cc3c2O)c1 ZINC000540900058 939414075 /nfs/dbraw/zinc/41/40/75/939414075.db2.gz HVWIBZRFMIDSCK-UHFFFAOYSA-N -1 1 405.223 4.004 20 0 HIADMM CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000540959747 939421076 /nfs/dbraw/zinc/42/10/76/939421076.db2.gz ZCVYLGYIHQEDMB-LBPRGKRZSA-N -1 1 413.948 4.349 20 0 HIADMM CO[C@H](C)CCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000541090533 939456315 /nfs/dbraw/zinc/45/63/15/939456315.db2.gz UKQYLZNPQZFSEX-CQSZACIVSA-N -1 1 410.923 4.203 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)c2cccnc12 ZINC000541302705 939490156 /nfs/dbraw/zinc/49/01/56/939490156.db2.gz BMLAXAWGLBBOGI-UHFFFAOYSA-N -1 1 408.426 4.110 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000541435274 939515353 /nfs/dbraw/zinc/51/53/53/939515353.db2.gz CADIGUSSDBPPTC-UHFFFAOYSA-N -1 1 412.458 4.156 20 0 HIADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000541441622 939516941 /nfs/dbraw/zinc/51/69/41/939516941.db2.gz ILLQKARBLRSBQJ-UHFFFAOYSA-N -1 1 419.514 4.345 20 0 HIADMM Cc1cn(C2CCCCC2)nc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000541500302 939538049 /nfs/dbraw/zinc/53/80/49/939538049.db2.gz LKSZNNSOAOMYBO-UHFFFAOYSA-N -1 1 420.517 4.134 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000541804044 939637508 /nfs/dbraw/zinc/63/75/08/939637508.db2.gz LBLKZPATNVVJOP-UHFFFAOYSA-N -1 1 424.444 4.040 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(C(F)(F)F)nc1 ZINC000542002995 939679028 /nfs/dbraw/zinc/67/90/28/939679028.db2.gz GMABZCPZJTTYLG-UHFFFAOYSA-N -1 1 408.361 4.038 20 0 HIADMM O=S(=O)([N-]c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(OCC(F)F)cc1 ZINC000542217347 939761627 /nfs/dbraw/zinc/76/16/27/939761627.db2.gz RGXYYEFMEDGZFS-UHFFFAOYSA-N -1 1 421.347 4.026 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)c2)n1 ZINC000542235592 939769866 /nfs/dbraw/zinc/76/98/66/939769866.db2.gz MJTMXVFJYGCCDM-UHFFFAOYSA-N -1 1 424.457 4.188 20 0 HIADMM C[C@@H]1CN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC(C)(C)C1 ZINC000542370989 939809394 /nfs/dbraw/zinc/80/93/94/939809394.db2.gz ZOOYELDSHGSESR-KRWDZBQOSA-N -1 1 415.559 4.065 20 0 HIADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2)cc1 ZINC000542437127 939822499 /nfs/dbraw/zinc/82/24/99/939822499.db2.gz NQYNJIQLDXHZAI-OAQYLSRUSA-N -1 1 420.534 4.426 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@@H]2CCCC[C@H]21 ZINC000542988831 939891996 /nfs/dbraw/zinc/89/19/96/939891996.db2.gz JJOIRWWHQDAVTE-GQWLDOHISA-N -1 1 416.518 4.277 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1Cl ZINC000543023285 939897157 /nfs/dbraw/zinc/89/71/57/939897157.db2.gz RYHYLLONLCOGPT-UHFFFAOYSA-N -1 1 408.907 4.328 20 0 HIADMM O=S(=O)([N-]c1ccc(CN2CCOCC2)c(Cl)c1)c1cccc2ccccc21 ZINC000543147500 939970797 /nfs/dbraw/zinc/97/07/97/939970797.db2.gz UJWIXYVPHKHEBH-UHFFFAOYSA-N -1 1 416.930 4.126 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C[C@@H]3CC=CCC3)c2)cc1F ZINC000543355378 940040009 /nfs/dbraw/zinc/04/00/09/940040009.db2.gz WPVRGAUDWBNXDR-QGZVFWFLSA-N -1 1 416.518 4.363 20 0 HIADMM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000543608214 940129332 /nfs/dbraw/zinc/12/93/32/940129332.db2.gz IQXUAVGOIZEBRO-HTAPYJJXSA-N -1 1 421.522 4.106 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)c(C)c1CC(=O)[O-] ZINC000543649160 940150234 /nfs/dbraw/zinc/15/02/34/940150234.db2.gz PWLYYCSWUWVVHV-UHFFFAOYSA-N -1 1 418.298 4.052 20 0 HIADMM CCc1nc2cc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)c(Cl)c3)ccc2o1 ZINC000543867481 940216908 /nfs/dbraw/zinc/21/69/08/940216908.db2.gz UKYSVUGSBYAPPC-UHFFFAOYSA-N -1 1 402.863 4.030 20 0 HIADMM CC(C)(C)Oc1c(F)cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000543912536 940239695 /nfs/dbraw/zinc/23/96/95/940239695.db2.gz WNRXKDFNWABXFO-UHFFFAOYSA-N -1 1 419.833 4.295 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@H]1CCCCS1 ZINC000544018920 940301637 /nfs/dbraw/zinc/30/16/37/940301637.db2.gz CGZHEDRWLUPICS-QGZVFWFLSA-N -1 1 410.948 4.365 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1ccc(OCC(F)F)cc1 ZINC000544078623 940319800 /nfs/dbraw/zinc/31/98/00/940319800.db2.gz YWKMCOBHKSPPGJ-UHFFFAOYSA-N -1 1 420.437 4.105 20 0 HIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000544079518 940320084 /nfs/dbraw/zinc/32/00/84/940320084.db2.gz HPNCXZQKEVUJMY-UHFFFAOYSA-N -1 1 413.503 4.093 20 0 HIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c2C1 ZINC000544408011 940415811 /nfs/dbraw/zinc/41/58/11/940415811.db2.gz VHZNWLDSZSWPQO-UHFFFAOYSA-N -1 1 421.522 4.322 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccnc(-c3ccccc3)c2)c1 ZINC000544565448 940480501 /nfs/dbraw/zinc/48/05/01/940480501.db2.gz UMMJGKBTXQSPHW-UHFFFAOYSA-N -1 1 414.421 4.255 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)c1 ZINC000544816740 940517042 /nfs/dbraw/zinc/51/70/42/940517042.db2.gz GLASPEKQVWTGDJ-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000544852031 940519352 /nfs/dbraw/zinc/51/93/52/940519352.db2.gz AXCVHDZDHVEGLF-MRXNPFEDSA-N -1 1 421.278 4.234 20 0 HIADMM CCN(CCC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000544877299 940521152 /nfs/dbraw/zinc/52/11/52/940521152.db2.gz PBLCRWREFPBZMA-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(I)c([O-])c1 ZINC000544881984 940521357 /nfs/dbraw/zinc/52/13/57/940521357.db2.gz OYTXOGXGOZEQIU-OAHLLOKOSA-N -1 1 410.255 4.005 20 0 HIADMM CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(I)c([O-])c1 ZINC000544896133 940522874 /nfs/dbraw/zinc/52/28/74/940522874.db2.gz KRPJDILCKRTWKI-UHFFFAOYSA-N -1 1 415.202 4.175 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000544922997 940525759 /nfs/dbraw/zinc/52/57/59/940525759.db2.gz IIHWGWPBTNXCKL-SECBINFHSA-N -1 1 418.327 4.068 20 0 HIADMM Cc1cc(Cc2noc(-c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)n2)no1 ZINC000544976215 940530086 /nfs/dbraw/zinc/53/00/86/940530086.db2.gz AZSVIWISLGVRJN-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(CCC(F)(F)F)no2)cc1 ZINC000545041381 940536148 /nfs/dbraw/zinc/53/61/48/940536148.db2.gz WZISRHBRSUBNTO-UHFFFAOYSA-N -1 1 411.405 4.341 20 0 HIADMM Cc1csc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)n2)n1 ZINC000545090692 940541556 /nfs/dbraw/zinc/54/15/56/940541556.db2.gz XCHBQSLHIFZLFP-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM COC1(c2noc(-c3cccc([N-]S(=O)(=O)c4cc(C)ccc4C)c3)n2)CCC1 ZINC000545099438 940542408 /nfs/dbraw/zinc/54/24/08/940542408.db2.gz AHORFQGOHLFDGE-UHFFFAOYSA-N -1 1 413.499 4.180 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@H]3CCCCS3)no2)cc1)c1ccccc1 ZINC000545101412 940542514 /nfs/dbraw/zinc/54/25/14/940542514.db2.gz KNYZOQGMIXOQNH-QGZVFWFLSA-N -1 1 401.513 4.496 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc(Cl)c1[O-] ZINC000545169113 940553747 /nfs/dbraw/zinc/55/37/47/940553747.db2.gz WVMZJOCVEAIYCD-LBPRGKRZSA-N -1 1 417.893 4.219 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)c1 ZINC000545446973 940570287 /nfs/dbraw/zinc/57/02/87/940570287.db2.gz FGGPGJBQRXZACO-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM Cc1c(NC(=O)c2ccc(I)c([O-])c2)sc2c1CCCC2 ZINC000545493673 940571997 /nfs/dbraw/zinc/57/19/97/940571997.db2.gz LLMAYDCQIXOULN-UHFFFAOYSA-N -1 1 413.280 4.498 20 0 HIADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000545494724 940572019 /nfs/dbraw/zinc/57/20/19/940572019.db2.gz YCZKBIUEVJVWLB-HIFRSBDPSA-N -1 1 421.278 4.090 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc([C@H]3Cc4ccccc43)no2)c1)c1ccccc1 ZINC000545578625 940575682 /nfs/dbraw/zinc/57/56/82/940575682.db2.gz JAVFGMDRCDPJBJ-FQEVSTJZSA-N -1 1 403.463 4.225 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(Cc4ccncc4)no3)cc2)c1 ZINC000545594979 940576386 /nfs/dbraw/zinc/57/63/86/940576386.db2.gz AOSJUCMVKLYFLC-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccc3sccc3c2)no1 ZINC000545686343 940580729 /nfs/dbraw/zinc/58/07/29/940580729.db2.gz TXXAZMOCDCKVLW-UHFFFAOYSA-N -1 1 401.451 4.408 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(SCCC(=O)OC)c2)cc(Cl)c1[O-] ZINC000545844060 940628758 /nfs/dbraw/zinc/62/87/58/940628758.db2.gz CSJFFMGUTBZGBU-UHFFFAOYSA-N -1 1 409.891 4.352 20 0 HIADMM CCOc1cc(C(=O)Nc2nnc(Cc3cccc(OC)c3)s2)cc(Cl)c1[O-] ZINC000545853105 940636954 /nfs/dbraw/zinc/63/69/54/940636954.db2.gz BEEUXPVMXJVHSB-UHFFFAOYSA-N -1 1 419.890 4.148 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)cc(Cl)c1[O-] ZINC000545854113 940637735 /nfs/dbraw/zinc/63/77/35/940637735.db2.gz OIZVOABTNXRAMR-CQSZACIVSA-N -1 1 404.894 4.090 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000545892021 940653775 /nfs/dbraw/zinc/65/37/75/940653775.db2.gz SYUZNOOWACOYRE-UHFFFAOYSA-N -1 1 406.935 4.495 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1OC(C)C ZINC000546180015 940722292 /nfs/dbraw/zinc/72/22/92/940722292.db2.gz BDKFSEABDAWHEZ-UHFFFAOYSA-N -1 1 414.321 4.354 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(Cc4ccccn4)no3)cc2)cc1C ZINC000546254125 940749362 /nfs/dbraw/zinc/74/93/62/940749362.db2.gz RSGVCOCASVGUPN-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)n2)cn1 ZINC000546284763 940763868 /nfs/dbraw/zinc/76/38/68/940763868.db2.gz KXFGXFYXYKWUPQ-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@@H]3Cc4ccccc43)no2)cc1)c1ccccc1 ZINC000546295475 940768614 /nfs/dbraw/zinc/76/86/14/940768614.db2.gz YKNUOOABXFOYOI-HXUWFJFHSA-N -1 1 403.463 4.225 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nc(CCC(F)(F)F)no2)cc1 ZINC000546330954 940788612 /nfs/dbraw/zinc/78/86/12/940788612.db2.gz QBNKZTPPEUYSSR-UHFFFAOYSA-N -1 1 415.368 4.171 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3n[nH]c4ccccc43)no2)c1)c1ccccc1 ZINC000546425866 940817290 /nfs/dbraw/zinc/81/72/90/940817290.db2.gz SMROVOBZYRHTLP-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000546565050 940854742 /nfs/dbraw/zinc/85/47/42/940854742.db2.gz KSYFCQBZVLZOCB-UHFFFAOYSA-N -1 1 411.314 4.214 20 0 HIADMM CCOc1cc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc(Cl)c1[O-] ZINC000546585225 940858295 /nfs/dbraw/zinc/85/82/95/940858295.db2.gz HBTCERGVBGDTLX-LBPRGKRZSA-N -1 1 409.939 4.385 20 0 HIADMM CCCc1nc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)co1 ZINC000546785582 940882382 /nfs/dbraw/zinc/88/23/82/940882382.db2.gz ONNYUIUAALZGCC-UHFFFAOYSA-N -1 1 419.890 4.334 20 0 HIADMM CC(C)(CCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000564033385 945359335 /nfs/dbraw/zinc/35/93/35/945359335.db2.gz ADDQOPRBGIOVAS-UHFFFAOYSA-N -1 1 418.534 4.112 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H](c1cccnc1)C1CC1 ZINC000546926156 940915013 /nfs/dbraw/zinc/91/50/13/940915013.db2.gz ZBNUBJUITZVRTN-NRFANRHFSA-N -1 1 422.510 4.155 20 0 HIADMM CC(C)(C)n1cc(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cn1 ZINC000546927414 940915530 /nfs/dbraw/zinc/91/55/30/940915530.db2.gz VLQNMIXJXKQGFU-UHFFFAOYSA-N -1 1 413.503 4.083 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c(Cl)c1 ZINC000564054446 945365372 /nfs/dbraw/zinc/36/53/72/945365372.db2.gz PTIDTKHTVNYYCX-UHFFFAOYSA-N -1 1 412.964 4.011 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(COCc3ccccc3)no2)cc1)c1ccccc1 ZINC000547096053 940994109 /nfs/dbraw/zinc/99/41/09/940994109.db2.gz NEVXRMRUTVLZOB-UHFFFAOYSA-N -1 1 421.478 4.254 20 0 HIADMM CCSCc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)n1 ZINC000547128254 941005590 /nfs/dbraw/zinc/00/55/90/941005590.db2.gz HAOKFZGCCTYHCD-UHFFFAOYSA-N -1 1 407.492 4.238 20 0 HIADMM C[C@H](c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1)c1ccncc1 ZINC000547214305 941034193 /nfs/dbraw/zinc/03/41/93/941034193.db2.gz ZGWWSDVBDOVURY-HNNXBMFYSA-N -1 1 406.467 4.084 20 0 HIADMM C[C@@H](c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1)c1ccncc1 ZINC000547212797 941034209 /nfs/dbraw/zinc/03/42/09/941034209.db2.gz KEFXOLJSFCXADD-CQSZACIVSA-N -1 1 424.457 4.223 20 0 HIADMM CCOc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc(Cl)c1[O-] ZINC000547260652 941046545 /nfs/dbraw/zinc/04/65/45/941046545.db2.gz YMXBCWGDWKKPOL-UHFFFAOYSA-N -1 1 409.313 4.056 20 0 HIADMM CCOc1cc(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000547289981 941053190 /nfs/dbraw/zinc/05/31/90/941053190.db2.gz KWODLLOGMLANCH-GASCZTMLSA-N -1 1 418.921 4.306 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc(Cl)c1[O-] ZINC000547292049 941053742 /nfs/dbraw/zinc/05/37/42/941053742.db2.gz UBKOXDKSXJYPCC-UHFFFAOYSA-N -1 1 408.845 4.406 20 0 HIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000547955224 941080441 /nfs/dbraw/zinc/08/04/41/941080441.db2.gz NGOHEJUJKZCCLZ-SFHVURJKSA-N -1 1 408.483 4.072 20 0 HIADMM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000548955085 941133603 /nfs/dbraw/zinc/13/36/03/941133603.db2.gz VTRGZAROAMGJRP-UHFFFAOYSA-N -1 1 401.797 4.341 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)c1 ZINC000549686251 941204494 /nfs/dbraw/zinc/20/44/94/941204494.db2.gz DVWZAPLOPWVWFX-FQEVSTJZSA-N -1 1 404.470 4.034 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(C(F)(F)F)c1 ZINC000549720764 941205678 /nfs/dbraw/zinc/20/56/78/941205678.db2.gz QBZZJEOIVMJMBC-UHFFFAOYSA-N -1 1 406.813 4.259 20 0 HIADMM CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)c1 ZINC000551467028 941485718 /nfs/dbraw/zinc/48/57/18/941485718.db2.gz OGSPWMWPKSFZAF-UHFFFAOYSA-N -1 1 409.891 4.312 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1nc(C(F)(F)F)cs1 ZINC000551516373 941493196 /nfs/dbraw/zinc/49/31/96/941493196.db2.gz JGOWZSVOQISYAC-SECBINFHSA-N -1 1 402.822 4.384 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)cc2)ccc1F ZINC000552131670 941590516 /nfs/dbraw/zinc/59/05/16/941590516.db2.gz UVWVWMCOBXMCFT-IFMALSPDSA-N -1 1 424.497 4.221 20 0 HIADMM CCc1csc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)n1 ZINC000552182420 941597374 /nfs/dbraw/zinc/59/73/74/941597374.db2.gz UZUKODQAXYPPNX-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2c1NCCC2 ZINC000552217162 941606116 /nfs/dbraw/zinc/60/61/16/941606116.db2.gz YRRXYTCPICTBLV-UHFFFAOYSA-N -1 1 421.522 4.406 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC=C(c2ccco2)C1 ZINC000552270049 941618988 /nfs/dbraw/zinc/61/89/88/941618988.db2.gz BXEZDQFLTBLLMR-UHFFFAOYSA-N -1 1 408.479 4.010 20 0 HIADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000552359681 941644057 /nfs/dbraw/zinc/64/40/57/941644057.db2.gz NKIJAPBGSXXUBD-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000552368415 941647307 /nfs/dbraw/zinc/64/73/07/941647307.db2.gz FAGLQPSEDBAIEE-UHFFFAOYSA-N -1 1 422.916 4.334 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000553206153 941848929 /nfs/dbraw/zinc/84/89/29/941848929.db2.gz RSKLSKQGACZGOI-KGLIPLIRSA-N -1 1 411.449 4.297 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccccc2Cl)CC2CC2)c(=O)[n-]1 ZINC000553233397 941853662 /nfs/dbraw/zinc/85/36/62/941853662.db2.gz GIGZAHWYIDYFAB-UHFFFAOYSA-N -1 1 405.951 4.237 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCC4)cc2)c1C ZINC000553267774 941859060 /nfs/dbraw/zinc/85/90/60/941859060.db2.gz KBDRZXLCYSQREM-UHFFFAOYSA-N -1 1 410.543 4.316 20 0 HIADMM CC[C@@H](CSC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000553427658 941882666 /nfs/dbraw/zinc/88/26/66/941882666.db2.gz LJJQVWVRGOELKW-HNNXBMFYSA-N -1 1 412.964 4.012 20 0 HIADMM CCc1ccc([C@H]2CCN(C(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)cc1 ZINC000554410372 942131709 /nfs/dbraw/zinc/13/17/09/942131709.db2.gz UNLHNPZFYHIUON-NRFANRHFSA-N -1 1 416.525 4.064 20 0 HIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccc(F)cc1C(F)(F)F ZINC000554930095 942323212 /nfs/dbraw/zinc/32/32/12/942323212.db2.gz ILWMLFIYRKTGNU-UHFFFAOYSA-N -1 1 406.376 4.385 20 0 HIADMM CC(=O)c1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cs1 ZINC000555296568 942465806 /nfs/dbraw/zinc/46/58/06/942465806.db2.gz RQOBGJOPRSPDFR-UHFFFAOYSA-N -1 1 414.508 4.312 20 0 HIADMM O=S(=O)([N-]c1cccc(Br)c1Cl)c1cnccc1C(F)(F)F ZINC000555457655 942559886 /nfs/dbraw/zinc/55/98/86/942559886.db2.gz JMYYZFKJKBONRO-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Br)c1cc(Cl)ccc1F ZINC000556346687 942847498 /nfs/dbraw/zinc/84/74/98/942847498.db2.gz MJUPSTSCTHGDIS-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000556346681 942847775 /nfs/dbraw/zinc/84/77/75/942847775.db2.gz MFNAOLKBUKKMFX-UHFFFAOYSA-N -1 1 409.241 4.421 20 0 HIADMM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000556831954 942937423 /nfs/dbraw/zinc/93/74/23/942937423.db2.gz DXTIMLWILYRLAX-UHFFFAOYSA-N -1 1 411.458 4.487 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@](C)(O)CSc2cccc(F)c2)c1 ZINC000556968073 942983321 /nfs/dbraw/zinc/98/33/21/942983321.db2.gz GORNYGZKTVTUFU-QGZVFWFLSA-N -1 1 414.296 4.084 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2ccncc2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000557156016 943033944 /nfs/dbraw/zinc/03/39/44/943033944.db2.gz XRJCCUVKJCCXRC-UHFFFAOYSA-N -1 1 424.400 4.360 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000557723823 943270178 /nfs/dbraw/zinc/27/01/78/943270178.db2.gz JRPLNSOITCZOKJ-UHFFFAOYSA-N -1 1 411.455 4.248 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000557866976 943316845 /nfs/dbraw/zinc/31/68/45/943316845.db2.gz SHRCGWBADKBRGO-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 ZINC000558136944 943393347 /nfs/dbraw/zinc/39/33/47/943393347.db2.gz YCCFWIQTILOCPM-UHFFFAOYSA-N -1 1 415.536 4.024 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3cccc(C)n3)c2)c1 ZINC000558562644 943599712 /nfs/dbraw/zinc/59/97/12/943599712.db2.gz FTCWNNHYTKCPOE-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)ccc1C(F)(F)F ZINC000558589859 943611236 /nfs/dbraw/zinc/61/12/36/943611236.db2.gz AXFCJEXUGRXATR-VWLOTQADSA-N -1 1 405.463 4.002 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000558843739 943692037 /nfs/dbraw/zinc/69/20/37/943692037.db2.gz NDIRTVVVRQZTPD-UHFFFAOYSA-N -1 1 400.237 4.319 20 0 HIADMM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccn1)c1ccc(Cl)c(F)c1Cl ZINC000559140127 943852231 /nfs/dbraw/zinc/85/22/31/943852231.db2.gz DGYPPFZSVVOXOU-UHFFFAOYSA-N -1 1 417.211 4.067 20 0 HIADMM COc1cc(Br)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1OC ZINC000560012022 944129480 /nfs/dbraw/zinc/12/94/80/944129480.db2.gz HNUHEVKNMBGVQP-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000560014076 944129967 /nfs/dbraw/zinc/12/99/67/944129967.db2.gz YFBRXGMYKGPPJR-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM O=C(Nc1c(O)cccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000560822048 944345632 /nfs/dbraw/zinc/34/56/32/944345632.db2.gz WOWFIVZWXCDFCW-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM Cc1ccc(NC(=O)c2cc3nc[nH]c3cc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000561145788 944482019 /nfs/dbraw/zinc/48/20/19/944482019.db2.gz HWRQCTAFKOHPMN-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CSc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000561644299 944724956 /nfs/dbraw/zinc/72/49/56/944724956.db2.gz RYDHMVDOSUTPHT-UHFFFAOYSA-N -1 1 413.524 4.165 20 0 HIADMM CC[C@H]1CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000561942266 944868864 /nfs/dbraw/zinc/86/88/64/944868864.db2.gz PIQCVRXRHDRPHO-AWEZNQCLSA-N -1 1 413.326 4.419 20 0 HIADMM O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1c([O-])cc(Br)cc1Cl ZINC000564067859 945369935 /nfs/dbraw/zinc/36/99/35/945369935.db2.gz SBOQUUMOVYOHER-NSHDSACASA-N -1 1 423.694 4.338 20 0 HIADMM O=C1NC(CC(F)(F)F)C(=O)N1c1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000565103974 945774258 /nfs/dbraw/zinc/77/42/58/945774258.db2.gz MVKGRDPCXFYGDU-NSHDSACASA-N -1 1 423.338 4.130 20 0 HIADMM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000565103974 945774266 /nfs/dbraw/zinc/77/42/66/945774266.db2.gz MVKGRDPCXFYGDU-NSHDSACASA-N -1 1 423.338 4.130 20 0 HIADMM O=C([N-]c1nnc(-c2cc(Br)ccc2F)s1)c1ncoc1C1CC1 ZINC000566575347 946043001 /nfs/dbraw/zinc/04/30/01/946043001.db2.gz YIUBMERPDUTVHL-UHFFFAOYSA-N -1 1 409.240 4.224 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000566649087 946065505 /nfs/dbraw/zinc/06/55/05/946065505.db2.gz GASJGKLBZKVILW-ZDUSSCGKSA-N -1 1 415.262 4.472 20 0 HIADMM C[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000567091761 946240250 /nfs/dbraw/zinc/24/02/50/946240250.db2.gz DFZPFMIHUONEIF-MRXNPFEDSA-N -1 1 418.534 4.254 20 0 HIADMM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000567284684 946291535 /nfs/dbraw/zinc/29/15/35/946291535.db2.gz VPZRRGKAOVJOQJ-UHFFFAOYSA-N -1 1 406.857 4.318 20 0 HIADMM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Br)cc1OCC ZINC000567822175 946418540 /nfs/dbraw/zinc/41/85/40/946418540.db2.gz DWRHTSOSRHLQQN-SFHVURJKSA-N -1 1 408.292 4.162 20 0 HIADMM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)cc1OCC ZINC000567822174 946419326 /nfs/dbraw/zinc/41/93/26/946419326.db2.gz DWRHTSOSRHLQQN-GOSISDBHSA-N -1 1 408.292 4.162 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC000569041660 946805420 /nfs/dbraw/zinc/80/54/20/946805420.db2.gz VPZZRIVZYHHVKJ-OAQYLSRUSA-N -1 1 415.515 4.426 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2noc(C3CC3)n2)c1)c1ccc(OCC(F)F)cc1 ZINC000569384333 946863146 /nfs/dbraw/zinc/86/31/46/946863146.db2.gz SQTQQNSZBQHUKK-UHFFFAOYSA-N -1 1 421.425 4.059 20 0 HIADMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)ccc2o1 ZINC000569914570 947045057 /nfs/dbraw/zinc/04/50/57/947045057.db2.gz XZRVZNULVQBDST-UHFFFAOYSA-N -1 1 400.378 4.493 20 0 HIADMM C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000570243017 947162696 /nfs/dbraw/zinc/16/26/96/947162696.db2.gz MOKVVHOJEKWWMP-JTQLQIEISA-N -1 1 415.368 4.044 20 0 HIADMM C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000570243017 947162710 /nfs/dbraw/zinc/16/27/10/947162710.db2.gz MOKVVHOJEKWWMP-JTQLQIEISA-N -1 1 415.368 4.044 20 0 HIADMM CSc1nc(C)c(CCc2nc(-c3ccc(OC(C)(C)C)cc3)no2)c(=O)[n-]1 ZINC000570559542 947298105 /nfs/dbraw/zinc/29/81/05/947298105.db2.gz IENNDYLSSLOETK-UHFFFAOYSA-N -1 1 400.504 4.225 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000571574042 947709286 /nfs/dbraw/zinc/70/92/86/947709286.db2.gz GNKUNWFQIAWYJV-IBGZPJMESA-N -1 1 423.441 4.087 20 0 HIADMM O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1c(F)ccc([O-])c1F ZINC000572079905 947841324 /nfs/dbraw/zinc/84/13/24/947841324.db2.gz CQAURQRGCRGUJQ-UHFFFAOYSA-N -1 1 422.229 4.124 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc(Br)cc2cccnc21 ZINC000572794922 948012430 /nfs/dbraw/zinc/01/24/30/948012430.db2.gz DZLZOMZTGARQOY-UHFFFAOYSA-N -1 1 417.206 4.215 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)c(OC)c2)c(C)c1C ZINC000573401597 948183774 /nfs/dbraw/zinc/18/37/74/948183774.db2.gz SRXMJPSJKCTDCY-UHFFFAOYSA-N -1 1 414.321 4.192 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)cc3)c3cccc1c23 ZINC000573590674 948243363 /nfs/dbraw/zinc/24/33/63/948243363.db2.gz ZTPJBJVRTKWNES-UHFFFAOYSA-N -1 1 417.446 4.394 20 0 HIADMM CC1(C)COc2ccc(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc21 ZINC000573731202 948284003 /nfs/dbraw/zinc/28/40/03/948284003.db2.gz CIALGPYMIHLRKK-UHFFFAOYSA-N -1 1 422.506 4.410 20 0 HIADMM CO[C@@](C)(c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)n1)C1CC1 ZINC000574609974 948491473 /nfs/dbraw/zinc/49/14/73/948491473.db2.gz AXJPNNWZBDAHTD-OAQYLSRUSA-N -1 1 413.499 4.117 20 0 HIADMM O=C([O-])[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1ccccc1Br ZINC000574952930 948564070 /nfs/dbraw/zinc/56/40/70/948564070.db2.gz ISZXUZLTUMTORE-HNNXBMFYSA-N -1 1 418.209 4.306 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](CC4CC4)C3)cc2)cc1C ZINC000575112611 948598456 /nfs/dbraw/zinc/59/84/56/948598456.db2.gz XWGBPLRLTQFFOX-LJQANCHMSA-N -1 1 412.555 4.366 20 0 HIADMM O=C(c1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000089780733 569264113 /nfs/dbraw/zinc/26/41/13/569264113.db2.gz DOXPMYHBRJXMNA-CQSZACIVSA-N -1 1 417.391 4.031 20 0 HIADMM COc1cc(C(=O)N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000435997126 861281403 /nfs/dbraw/zinc/28/14/03/861281403.db2.gz SEUKSJMRKOSLHB-UHFFFAOYSA-N -1 1 420.296 4.284 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c1 ZINC000436011153 861302850 /nfs/dbraw/zinc/30/28/50/861302850.db2.gz ODNYXLUWBMPNTK-UHFFFAOYSA-N -1 1 411.321 4.297 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000436048874 861337954 /nfs/dbraw/zinc/33/79/54/861337954.db2.gz HSOMTNQKCYSBCX-LEWJYISDSA-N -1 1 424.497 4.221 20 0 HIADMM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1(C)C ZINC000436104267 861388640 /nfs/dbraw/zinc/38/86/40/861388640.db2.gz UGHTYFSTWDTPCJ-DNVCBOLYSA-N -1 1 414.527 4.067 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)n1 ZINC000436184992 861486098 /nfs/dbraw/zinc/48/60/98/861486098.db2.gz FAECABOWVVDCSK-OAHLLOKOSA-N -1 1 422.348 4.103 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1nc(C2CCCCC2)no1 ZINC000436185253 861486686 /nfs/dbraw/zinc/48/66/86/861486686.db2.gz NOOYMKMMHNAUHZ-SNVBAGLBSA-N -1 1 421.416 4.315 20 0 HIADMM CCc1ccc([C@H](NC(=O)CSc2nc(CC)cc(=O)[n-]2)c2cccs2)cc1 ZINC000436205388 861504803 /nfs/dbraw/zinc/50/48/03/861504803.db2.gz OGBWHHYPCVWEKX-FQEVSTJZSA-N -1 1 413.568 4.366 20 0 HIADMM O=C(NCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000003569703 845041241 /nfs/dbraw/zinc/04/12/41/845041241.db2.gz OYFSAYAXFPTLRL-UHFFFAOYSA-N -1 1 400.887 4.071 20 0 HIADMM O=C(Cc1c[nH]c2ccccc12)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005171487 845086318 /nfs/dbraw/zinc/08/63/18/845086318.db2.gz MKWLCXFOSMORFK-UHFFFAOYSA-N -1 1 415.474 4.419 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3F)c2)cc1F ZINC000006981722 845229947 /nfs/dbraw/zinc/22/99/47/845229947.db2.gz SPEOHKQIBASGSN-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000007709114 845393670 /nfs/dbraw/zinc/39/36/70/845393670.db2.gz MTXIZWBXKAVTIB-UHFFFAOYSA-N -1 1 412.433 4.309 20 0 HIADMM CC(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000008033601 845465883 /nfs/dbraw/zinc/46/58/83/845465883.db2.gz CTRIDRBKLCLOGE-UHFFFAOYSA-N -1 1 411.321 4.235 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)n1 ZINC000436262084 861572622 /nfs/dbraw/zinc/57/26/22/861572622.db2.gz QDXNIEVCBTYHCG-UHFFFAOYSA-N -1 1 406.511 4.170 20 0 HIADMM O=C(NCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000008201717 845491687 /nfs/dbraw/zinc/49/16/87/845491687.db2.gz QWLIQKCXZWVFMI-UHFFFAOYSA-N -1 1 400.887 4.071 20 0 HIADMM Cc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000008240771 845497012 /nfs/dbraw/zinc/49/70/12/845497012.db2.gz SNYTUMNQOATEHB-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1nc(-c2ccccc2)co1)c1nc(C)cs1 ZINC000436265528 861575068 /nfs/dbraw/zinc/57/50/68/861575068.db2.gz YNQNUGRMHNSSBN-MRXNPFEDSA-N -1 1 402.497 4.115 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccc(F)cc1 ZINC000008291884 845509567 /nfs/dbraw/zinc/50/95/67/845509567.db2.gz ZBXRQCIRIJLNQP-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000009760910 845588373 /nfs/dbraw/zinc/58/83/73/845588373.db2.gz XLTPBNHIVKOQKU-UHFFFAOYSA-N -1 1 420.534 4.257 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)ccn1 ZINC000436279046 861587285 /nfs/dbraw/zinc/58/72/85/861587285.db2.gz GPEFYYRRDDRSQI-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM O=C(Nc1cccc2cccnc21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000010426179 845659153 /nfs/dbraw/zinc/65/91/53/845659153.db2.gz LFJUMVJPHSKRFV-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM O=C(/C=C/c1cc(Br)ccc1F)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000010663830 845689785 /nfs/dbraw/zinc/68/97/85/845689785.db2.gz FWYSIDWRUWFNJP-LZCJLJQNSA-N -1 1 419.202 4.157 20 0 HIADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)cc2Cl)n1 ZINC000011438203 845795964 /nfs/dbraw/zinc/79/59/64/845795964.db2.gz NIGDULRHZHHXAK-UHFFFAOYSA-N -1 1 416.728 4.281 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000011574061 845814422 /nfs/dbraw/zinc/81/44/22/845814422.db2.gz ZDECUROCTQQMAT-UHFFFAOYSA-N -1 1 407.543 4.463 20 0 HIADMM COc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000015353012 846038658 /nfs/dbraw/zinc/03/86/58/846038658.db2.gz FVRIEFVLFINBQM-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000015353195 846038722 /nfs/dbraw/zinc/03/87/22/846038722.db2.gz SFNXRZDOVGJSDH-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000015408854 846045101 /nfs/dbraw/zinc/04/51/01/846045101.db2.gz NSVDWVSCOYCGTH-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)cc1 ZINC000015413162 846045309 /nfs/dbraw/zinc/04/53/09/846045309.db2.gz NJHJMVSNJNQYNG-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(Nc1cccc(F)c1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000015414811 846046299 /nfs/dbraw/zinc/04/62/99/846046299.db2.gz KCGATQHXRZMPLZ-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=C(Nc1cccc(F)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015414786 846046498 /nfs/dbraw/zinc/04/64/98/846046498.db2.gz USOZNMDXLBMLHC-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1 ZINC000015434214 846048215 /nfs/dbraw/zinc/04/82/15/846048215.db2.gz MIIDGDGIEFLZDV-CALCHBBNSA-N -1 1 416.543 4.004 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4ccccc43)c2)cc1 ZINC000015563622 846063283 /nfs/dbraw/zinc/06/32/83/846063283.db2.gz YWXADIBXRRBFPR-UHFFFAOYSA-N -1 1 422.506 4.089 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)cc1 ZINC000015745164 846089833 /nfs/dbraw/zinc/08/98/33/846089833.db2.gz HMFQZLKLLGAZNT-KRWDZBQOSA-N -1 1 424.522 4.030 20 0 HIADMM CCc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)c1 ZINC000015789443 846090740 /nfs/dbraw/zinc/09/07/40/846090740.db2.gz KVOFYGPCTCTWHE-UHFFFAOYSA-N -1 1 410.495 4.311 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2)ccc1F ZINC000015797322 846091789 /nfs/dbraw/zinc/09/17/89/846091789.db2.gz XUPGUJGVHOHZFW-XOBRGWDASA-N -1 1 404.507 4.243 20 0 HIADMM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]NC(=S)Nc3ccc(C)cc3)cc12 ZINC000015869570 846100834 /nfs/dbraw/zinc/10/08/34/846100834.db2.gz XSYHEKPAMZDXND-UHFFFAOYSA-N -1 1 421.551 4.335 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(Cl)nc3)ccc2C)c1 ZINC000015950442 846103781 /nfs/dbraw/zinc/10/37/81/846103781.db2.gz STJMJNMITFOWHO-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(F)cc(F)c3)c2)c1 ZINC000016305217 846150857 /nfs/dbraw/zinc/15/08/57/846150857.db2.gz UPQVAIHOBYTBIW-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)cc1C ZINC000016597669 846188099 /nfs/dbraw/zinc/18/80/99/846188099.db2.gz KBIBDYRPLHBNHV-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM CCCc1cc(=O)[n-]c(S[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)n1 ZINC000016752797 846205956 /nfs/dbraw/zinc/20/59/56/846205956.db2.gz VCQFSIWVFBLORF-FQEVSTJZSA-N -1 1 409.511 4.203 20 0 HIADMM Cc1ccc(-c2nsc([N-]C(=O)c3cn(-c4cccc(Cl)c4)nn3)n2)s1 ZINC000436343522 861656075 /nfs/dbraw/zinc/65/60/75/861656075.db2.gz KDSYFKLVSANZLF-UHFFFAOYSA-N -1 1 402.892 4.061 20 0 HIADMM CCCCOCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000017441942 846252361 /nfs/dbraw/zinc/25/23/61/846252361.db2.gz YDWVZAZQRBWDHD-UHFFFAOYSA-N -1 1 418.559 4.041 20 0 HIADMM CCCCN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000017442772 846253916 /nfs/dbraw/zinc/25/39/16/846253916.db2.gz BNNAXLJQVJFFCU-UHFFFAOYSA-N -1 1 404.532 4.148 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000017442194 846254138 /nfs/dbraw/zinc/25/41/38/846254138.db2.gz RLPNFBRTTOVKFT-QLVMHMETSA-N -1 1 400.544 4.350 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)CCc2ccco2)cc1 ZINC000017798214 846269377 /nfs/dbraw/zinc/26/93/77/846269377.db2.gz AXEWBAVQTZBFIV-QGZVFWFLSA-N -1 1 412.511 4.140 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccco2)cc1 ZINC000017798210 846269661 /nfs/dbraw/zinc/26/96/61/846269661.db2.gz AXEWBAVQTZBFIV-KRWDZBQOSA-N -1 1 412.511 4.140 20 0 HIADMM COCc1c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)sc2cccc(F)c21 ZINC000017937774 846278057 /nfs/dbraw/zinc/27/80/57/846278057.db2.gz HWCQMBPCIZNLAN-UHFFFAOYSA-N -1 1 414.410 4.356 20 0 HIADMM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]NC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000018103282 846296125 /nfs/dbraw/zinc/29/61/25/846296125.db2.gz WUDMUXRIIOSNOY-AWEZNQCLSA-N -1 1 400.862 4.240 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000018151053 846303244 /nfs/dbraw/zinc/30/32/44/846303244.db2.gz ABVFNFBEJQUGHW-UHFFFAOYSA-N -1 1 416.934 4.155 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)C[C@H](C)C3)c2)c1 ZINC000018177495 846306196 /nfs/dbraw/zinc/30/61/96/846306196.db2.gz ORPIYOUCAVUSPM-CALCHBBNSA-N -1 1 400.544 4.222 20 0 HIADMM Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccc([O-])c(Br)c2)NC1=S ZINC000020670676 846387941 /nfs/dbraw/zinc/38/79/41/846387941.db2.gz RQTLXXPYZAGFOB-MDWZMJQESA-N -1 1 423.719 4.379 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CC3CCCCC3)cc2)cc1 ZINC000022990007 846645850 /nfs/dbraw/zinc/64/58/50/846645850.db2.gz NAUAACIVXLCHDB-UHFFFAOYSA-N -1 1 400.544 4.448 20 0 HIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000024432778 846822838 /nfs/dbraw/zinc/82/28/38/846822838.db2.gz IDZFSCNXLNSLKU-UHFFFAOYSA-N -1 1 416.421 4.371 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cc(C2CC2)on1 ZINC000024433897 846823218 /nfs/dbraw/zinc/82/32/18/846823218.db2.gz DFTPUGHIJPRUJT-UHFFFAOYSA-N -1 1 417.874 4.259 20 0 HIADMM Cc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000024621882 846844360 /nfs/dbraw/zinc/84/43/60/846844360.db2.gz RCGMPXBCEQJRPV-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H](C)c2cccs2)cc1 ZINC000024656910 846849788 /nfs/dbraw/zinc/84/97/88/846849788.db2.gz FGIZLZUSCFMRGZ-ZDUSSCGKSA-N -1 1 402.545 4.287 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000024711305 846857053 /nfs/dbraw/zinc/85/70/53/846857053.db2.gz JQBDUFWXMVZJQO-UHFFFAOYSA-N -1 1 404.499 4.131 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000025243019 846946510 /nfs/dbraw/zinc/94/65/10/846946510.db2.gz VWZDZWFDCPNELE-JOCHJYFZSA-N -1 1 420.534 4.335 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(F)cc2OC)cc1 ZINC000025310865 846957655 /nfs/dbraw/zinc/95/76/55/846957655.db2.gz XMOJRTASNDKRET-UHFFFAOYSA-N -1 1 416.478 4.183 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCC(C)C)c2)cc1 ZINC000025328285 846960182 /nfs/dbraw/zinc/96/01/82/846960182.db2.gz PQEISKAHPAEJTN-UHFFFAOYSA-N -1 1 404.532 4.052 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(Cl)s2)cc1 ZINC000025523414 846991905 /nfs/dbraw/zinc/99/19/05/846991905.db2.gz RWVNKZBACJRORK-UHFFFAOYSA-N -1 1 422.963 4.428 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000025603013 847005723 /nfs/dbraw/zinc/00/57/23/847005723.db2.gz SYYBNWIYOJDQMJ-UHFFFAOYSA-N -1 1 409.486 4.141 20 0 HIADMM CC1CCC(N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC000025624786 847009397 /nfs/dbraw/zinc/00/93/97/847009397.db2.gz VBXOZVMFLDPJCA-UHFFFAOYSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cnn1-c1ccc(Cl)cc1 ZINC000025774322 847034622 /nfs/dbraw/zinc/03/46/22/847034622.db2.gz YHCWQWBAHHHTFX-UHFFFAOYSA-N -1 1 410.813 4.003 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000026548361 847167494 /nfs/dbraw/zinc/16/74/94/847167494.db2.gz XQJGGVQVTHFGNX-UHFFFAOYSA-N -1 1 423.494 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000026749349 847193268 /nfs/dbraw/zinc/19/32/68/847193268.db2.gz NKRQNQXRFYZPIR-KKSFZXQISA-N -1 1 416.543 4.195 20 0 HIADMM COc1ccc2c(c1)CCCN2C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000027064133 847242565 /nfs/dbraw/zinc/24/25/65/847242565.db2.gz QKLMMSXRMUEDHH-UHFFFAOYSA-N -1 1 422.506 4.089 20 0 HIADMM COc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cc1 ZINC000027390200 847294967 /nfs/dbraw/zinc/29/49/67/847294967.db2.gz IKJUYPYBTWFUJU-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000027648814 847331833 /nfs/dbraw/zinc/33/18/33/847331833.db2.gz XVUAXZHBIZHARP-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000027697420 847340130 /nfs/dbraw/zinc/34/01/30/847340130.db2.gz XGDOIHMZLAXJEX-UWJYYQICSA-N -1 1 400.544 4.494 20 0 HIADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000027697457 847340156 /nfs/dbraw/zinc/34/01/56/847340156.db2.gz YEPKGVREKRCSBF-QRWLVFNGSA-N -1 1 404.507 4.325 20 0 HIADMM Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000028194888 847394900 /nfs/dbraw/zinc/39/49/00/847394900.db2.gz MDZRXFHOGVVOGA-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM C[C@@H]1C[C@H](C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)C1 ZINC000028199780 847395494 /nfs/dbraw/zinc/39/54/94/847395494.db2.gz HBGBPQFAANKFOW-OKILXGFUSA-N -1 1 424.925 4.398 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)c1 ZINC000028239334 847398781 /nfs/dbraw/zinc/39/87/81/847398781.db2.gz GYYRFKDKSBRLLH-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC[C@H]3CC)c2)cc1 ZINC000028490718 847426757 /nfs/dbraw/zinc/42/67/57/847426757.db2.gz TWIMQUNEERYVBS-LJQANCHMSA-N -1 1 416.543 4.291 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000028493166 847427843 /nfs/dbraw/zinc/42/78/43/847427843.db2.gz GBJFYEOFOYUHBP-HUUCEWRRSA-N -1 1 404.507 4.053 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c5c(cccc53)CC4)cc2C[C@H]1C ZINC000028687341 847448404 /nfs/dbraw/zinc/44/84/04/847448404.db2.gz NXOZISYULSWUCQ-CQSZACIVSA-N -1 1 406.507 4.037 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccsc3)ccc2C)c1 ZINC000028700936 847451277 /nfs/dbraw/zinc/45/12/77/847451277.db2.gz DAOOKVXODDZDHD-UHFFFAOYSA-N -1 1 400.525 4.347 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)s3)c2)c1 ZINC000029171250 847518943 /nfs/dbraw/zinc/51/89/43/847518943.db2.gz OJBSCXCOEDMLBR-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000029235089 847528534 /nfs/dbraw/zinc/52/85/34/847528534.db2.gz XSVCYOBHZMQETR-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1OC ZINC000029335974 847546865 /nfs/dbraw/zinc/54/68/65/847546865.db2.gz DSONOOUADBVIOT-UHFFFAOYSA-N -1 1 424.689 4.243 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c[nH]nc4c3)ccc2C)cc1 ZINC000029372438 847553986 /nfs/dbraw/zinc/55/39/86/847553986.db2.gz CIFWGFMSDKGRLK-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1nc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)sc1C ZINC000029582058 847583484 /nfs/dbraw/zinc/58/34/84/847583484.db2.gz VJDBIHKJGBOFGD-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)cc1C ZINC000029816891 847624917 /nfs/dbraw/zinc/62/49/17/847624917.db2.gz AUFPSFGZXNYPRZ-UHFFFAOYSA-N -1 1 409.515 4.212 20 0 HIADMM COc1ccc(NC(=O)c2sc3cccc(C)c3c2Cl)cc1[N-]S(C)(=O)=O ZINC000029818049 847626092 /nfs/dbraw/zinc/62/60/92/847626092.db2.gz WKYUJWDDWVZLTA-UHFFFAOYSA-N -1 1 424.931 4.496 20 0 HIADMM C[C@H]1CCC[C@@H](N(C)C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000030001008 847667703 /nfs/dbraw/zinc/66/77/03/847667703.db2.gz HBZFDEKHRBVZJA-OXJNMPFZSA-N -1 1 418.534 4.206 20 0 HIADMM CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000030011854 847669931 /nfs/dbraw/zinc/66/99/31/847669931.db2.gz CZPGDMWRHKCELF-UHFFFAOYSA-N -1 1 408.523 4.458 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Oc3cnccn3)c2)cc1 ZINC000030014979 847670570 /nfs/dbraw/zinc/67/05/70/847670570.db2.gz WABCRCDIGWSULZ-UHFFFAOYSA-N -1 1 418.482 4.137 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCn4cccc4[C@H]3C)cc2)c1C ZINC000030266269 847694004 /nfs/dbraw/zinc/69/40/04/847694004.db2.gz BZBIQZMLZRWCSO-GOSISDBHSA-N -1 1 423.538 4.123 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)CCO4)c2)c1 ZINC000030372123 847707321 /nfs/dbraw/zinc/70/73/21/847707321.db2.gz PLALNNWWLWPUDZ-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000030381830 847708572 /nfs/dbraw/zinc/70/85/72/847708572.db2.gz RRFVORIRJJXEQI-QRWLVFNGSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc2)ccc1F ZINC000030424513 847714953 /nfs/dbraw/zinc/71/49/53/847714953.db2.gz JQQGHTHWAAZHDK-OAHLLOKOSA-N -1 1 406.523 4.442 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3N(C)C)cc2)cc1C ZINC000030669083 847755367 /nfs/dbraw/zinc/75/53/67/847755367.db2.gz VWTCSPTYXMKSIS-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3cc(Cl)ccc3OC)n2)n[n-]c1=S ZINC000030688100 847759767 /nfs/dbraw/zinc/75/97/67/847759767.db2.gz PBKDKKLJDBFJLG-UHFFFAOYSA-N -1 1 421.935 4.088 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H]2CCCc3ccccc32)cc1 ZINC000030691207 847759902 /nfs/dbraw/zinc/75/99/02/847759902.db2.gz LZRXVPJMXWODHB-GOSISDBHSA-N -1 1 422.554 4.243 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1 ZINC000436504519 861828389 /nfs/dbraw/zinc/82/83/89/861828389.db2.gz KHRNCWZOELKIEU-UHFFFAOYSA-N -1 1 408.888 4.198 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1 ZINC000436504807 861828686 /nfs/dbraw/zinc/82/86/86/861828686.db2.gz KKPWMCONWJRIDP-UHFFFAOYSA-N -1 1 414.508 4.488 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)c1 ZINC000436513083 861830961 /nfs/dbraw/zinc/83/09/61/861830961.db2.gz ZQCZYIDVZYTZIN-LSDHHAIUSA-N -1 1 408.479 4.477 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C[C@H](C)C1 ZINC000436511384 861831152 /nfs/dbraw/zinc/83/11/52/861831152.db2.gz JAIBTWXEIQQLOK-UONOGXRCSA-N -1 1 402.441 4.431 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1 ZINC000436516142 861831993 /nfs/dbraw/zinc/83/19/93/861831993.db2.gz UQNLFDUGFKMZTB-UHFFFAOYSA-N -1 1 413.861 4.394 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000031033525 847812313 /nfs/dbraw/zinc/81/23/13/847812313.db2.gz SUBUQWMSKSTLRJ-UHFFFAOYSA-N -1 1 408.405 4.453 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1 ZINC000031058021 847816067 /nfs/dbraw/zinc/81/60/67/847816067.db2.gz NDPBQIDORMPPCY-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000031382937 847872591 /nfs/dbraw/zinc/87/25/91/847872591.db2.gz QXZWGPMAFWXUEI-UWJYYQICSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3C)cc2)cc1 ZINC000031382933 847872744 /nfs/dbraw/zinc/87/27/44/847872744.db2.gz QXZWGPMAFWXUEI-UTKZUKDTSA-N -1 1 400.544 4.447 20 0 HIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc2ccc(Br)cc2[nH]1 ZINC000031411928 847879706 /nfs/dbraw/zinc/87/97/06/847879706.db2.gz MBBYRUJWGNXUNZ-UHFFFAOYSA-N -1 1 414.211 4.099 20 0 HIADMM CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000436536431 861840342 /nfs/dbraw/zinc/84/03/42/861840342.db2.gz QFPSCPAJHOHBKX-UHFFFAOYSA-N -1 1 413.905 4.444 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1[O-] ZINC000436538415 861841332 /nfs/dbraw/zinc/84/13/32/861841332.db2.gz IIIMGESAAXCNOC-UHFFFAOYSA-N -1 1 408.285 4.409 20 0 HIADMM CCOc1cc(CN(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)ccc1OC(F)F ZINC000436538475 861841597 /nfs/dbraw/zinc/84/15/97/861841597.db2.gz VVQBKHALAIUTLX-UHFFFAOYSA-N -1 1 415.820 4.327 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCCCC3)c1 ZINC000031666694 847925568 /nfs/dbraw/zinc/92/55/68/847925568.db2.gz ZDVNZDLAYMDBJV-UHFFFAOYSA-N -1 1 416.934 4.434 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1OCC ZINC000031776619 847946614 /nfs/dbraw/zinc/94/66/14/847946614.db2.gz DFWGFNVFWDTCKV-UHFFFAOYSA-N -1 1 413.499 4.050 20 0 HIADMM CSc1nnc(CCCNC(=O)c2ccc3ccccc3c2[O-])n1C1CCCC1 ZINC000436556846 861849996 /nfs/dbraw/zinc/84/99/96/861849996.db2.gz RIVKOOFECYUAIS-UHFFFAOYSA-N -1 1 410.543 4.337 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3[C@H](C)CCC[C@H]3C)c([O-])c2)c1 ZINC000436561706 861852159 /nfs/dbraw/zinc/85/21/59/861852159.db2.gz IRTWTIPGAWACIT-HUUCEWRRSA-N -1 1 412.486 4.065 20 0 HIADMM COc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1OCc1cn2ccccc2n1 ZINC000436561536 861852483 /nfs/dbraw/zinc/85/24/83/861852483.db2.gz GHFUJFJCAZOENW-UHFFFAOYSA-N -1 1 407.401 4.019 20 0 HIADMM C[C@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000032394416 848017978 /nfs/dbraw/zinc/01/79/78/848017978.db2.gz GCQCSUPDDXBQAE-NWDGAFQWSA-N -1 1 413.326 4.180 20 0 HIADMM CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436574749 861857087 /nfs/dbraw/zinc/85/70/87/861857087.db2.gz MGSCLRQOVZFJPQ-QGZVFWFLSA-N -1 1 419.399 4.076 20 0 HIADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436580823 861858781 /nfs/dbraw/zinc/85/87/81/861858781.db2.gz XOLKOKSAGUFSBN-BETUJISGSA-N -1 1 417.303 4.420 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(I)c2)c(C)s1 ZINC000032532342 848044238 /nfs/dbraw/zinc/04/42/38/848044238.db2.gz FFGPVGXZPFHKCF-UHFFFAOYSA-N -1 1 407.298 4.079 20 0 HIADMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1F ZINC000032591883 848050894 /nfs/dbraw/zinc/05/08/94/848050894.db2.gz AXDRAQPYYMYOHX-UHFFFAOYSA-N -1 1 403.431 4.290 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)c2ccccc12 ZINC000032592697 848051441 /nfs/dbraw/zinc/05/14/41/848051441.db2.gz NWTFFBLMZDYRPR-UHFFFAOYSA-N -1 1 422.510 4.223 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1)C1CC1 ZINC000032590920 848051550 /nfs/dbraw/zinc/05/15/50/848051550.db2.gz XSINZTWVKMDOBE-UHFFFAOYSA-N -1 1 416.833 4.091 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)cc1 ZINC000032631162 848057231 /nfs/dbraw/zinc/05/72/31/848057231.db2.gz VQOPIFGVNICMMW-UHFFFAOYSA-N -1 1 415.511 4.453 20 0 HIADMM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000032690636 848064618 /nfs/dbraw/zinc/06/46/18/848064618.db2.gz ZEAKDIQKASUJPF-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM O=C(C[C@H]1CCCCCN1C(=O)c1ccc(Br)cc1[O-])c1ccco1 ZINC000436588040 861861223 /nfs/dbraw/zinc/86/12/23/861861223.db2.gz RIXCGXATTDXZLN-CQSZACIVSA-N -1 1 406.276 4.406 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC000032745941 848070787 /nfs/dbraw/zinc/07/07/87/848070787.db2.gz SPKUILIXZKFZJU-UHFFFAOYSA-N -1 1 408.527 4.022 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)Cc3ccco3)ccc2C)cc1 ZINC000033206746 848125178 /nfs/dbraw/zinc/12/51/78/848125178.db2.gz DKNFBUSHSMXLBH-KRWDZBQOSA-N -1 1 412.511 4.058 20 0 HIADMM CO[C@H](C)[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436614196 861870289 /nfs/dbraw/zinc/87/02/89/861870289.db2.gz ZRIZUGKWMONWQS-GHMZBOCLSA-N -1 1 411.285 4.105 20 0 HIADMM C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000436618493 861872036 /nfs/dbraw/zinc/87/20/36/861872036.db2.gz RPRDNERIDDXISO-OPAMFIHVSA-N -1 1 420.484 4.209 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccncc3)cc2)cc1 ZINC000036661934 848152979 /nfs/dbraw/zinc/15/29/79/848152979.db2.gz QGQCSYSFZSPFSI-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1ccc(NC(=S)NC2CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000036846491 848168929 /nfs/dbraw/zinc/16/89/29/848168929.db2.gz IVLCYADHVUYNOH-UHFFFAOYSA-N -1 1 403.573 4.415 20 0 HIADMM CCOc1ccc(OCC)c(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000039549299 848188534 /nfs/dbraw/zinc/18/85/34/848188534.db2.gz OROPKBFVQCQZTD-UHFFFAOYSA-N -1 1 404.517 4.105 20 0 HIADMM CC(C)(C)OC(=O)N1CCN(Cc2ccccc2C(=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000039952719 848196148 /nfs/dbraw/zinc/19/61/48/848196148.db2.gz ZESWWMMLGDSDDI-FQEVSTJZSA-N -1 1 410.514 4.049 20 0 HIADMM C[C@H]1C[C@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCO1 ZINC000436634359 861876616 /nfs/dbraw/zinc/87/66/16/861876616.db2.gz KIQQABOHZOZPHQ-SMDDNHRTSA-N -1 1 423.296 4.249 20 0 HIADMM CCC(=O)c1ccc([O-])c(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)c1 ZINC000436647532 861881238 /nfs/dbraw/zinc/88/12/38/861881238.db2.gz JUVDYDSXMLYBLZ-UHFFFAOYSA-N -1 1 401.369 4.229 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(OC(F)F)c(Cl)c3)ccc2N1 ZINC000041616390 848237006 /nfs/dbraw/zinc/23/70/06/848237006.db2.gz IXSNNSHYCUKCQB-UHFFFAOYSA-N -1 1 416.833 4.017 20 0 HIADMM Cc1cc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCCO5)cc3[n-]2)cc(C)c1O ZINC000436660400 861886107 /nfs/dbraw/zinc/88/61/07/861886107.db2.gz CICXCEULSALBAU-UHFFFAOYSA-N -1 1 406.463 4.412 20 0 HIADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(I)ccc1[O-] ZINC000436673344 861889903 /nfs/dbraw/zinc/88/99/03/861889903.db2.gz IZACOFUPTUYJFZ-SECBINFHSA-N -1 1 417.193 4.108 20 0 HIADMM O=C(c1cc(I)ccc1[O-])N1CCC(c2ccccc2)CC1 ZINC000436672673 861889905 /nfs/dbraw/zinc/88/99/05/861889905.db2.gz GNULWEOGPGEXLT-UHFFFAOYSA-N -1 1 407.251 4.017 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)CCO3)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436678165 861891361 /nfs/dbraw/zinc/89/13/61/861891361.db2.gz FQBAOABPYDLMPY-UHFFFAOYSA-N -1 1 410.376 4.110 20 0 HIADMM O=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)c1cc(Cl)ccc1[O-] ZINC000436683704 861893333 /nfs/dbraw/zinc/89/33/33/861893333.db2.gz VAFGKWHUCQOVJG-UHFFFAOYSA-N -1 1 418.884 4.282 20 0 HIADMM O=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)c1ccc(Cl)cc1[O-] ZINC000436682142 861893488 /nfs/dbraw/zinc/89/34/88/861893488.db2.gz PHWDDXPFTDPINC-UHFFFAOYSA-N -1 1 418.884 4.282 20 0 HIADMM CC(C)C(=O)Nc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000043675351 848449457 /nfs/dbraw/zinc/44/94/57/848449457.db2.gz AAWROWDSYFEIBQ-UHFFFAOYSA-N -1 1 409.486 4.114 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000436717301 861905080 /nfs/dbraw/zinc/90/50/80/861905080.db2.gz BNYLATULCZTAEQ-AWEZNQCLSA-N -1 1 406.280 4.173 20 0 HIADMM CC[C@@H](CNC(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C)c1ccccc1 ZINC000043792656 848467433 /nfs/dbraw/zinc/46/74/33/848467433.db2.gz SOYTWCYIGFJSQL-INIZCTEOSA-N -1 1 408.527 4.256 20 0 HIADMM CCOCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436726712 861911995 /nfs/dbraw/zinc/91/19/95/861911995.db2.gz VVGODHFCVKLGFQ-QFIPXVFZSA-N -1 1 418.493 4.325 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000436728451 861913559 /nfs/dbraw/zinc/91/35/59/861913559.db2.gz LUSVIMHNNOFHII-QGZVFWFLSA-N -1 1 400.194 4.144 20 0 HIADMM Cc1ccc(-n2cnc3c2CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C3)cc1 ZINC000436729973 861914259 /nfs/dbraw/zinc/91/42/59/861914259.db2.gz UUVOFHPPNNIABU-UHFFFAOYSA-N -1 1 401.388 4.104 20 0 HIADMM CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000044440081 848558882 /nfs/dbraw/zinc/55/88/82/848558882.db2.gz WOTUQHLOLVRFCW-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000436732013 861916249 /nfs/dbraw/zinc/91/62/49/861916249.db2.gz BLBFDWNVZZEXHH-GFCCVEGCSA-N -1 1 405.292 4.069 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c(=O)[n-]1 ZINC000044684842 848591589 /nfs/dbraw/zinc/59/15/89/848591589.db2.gz RPDXEDZPKLDLCD-LJQANCHMSA-N -1 1 403.523 4.332 20 0 HIADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(I)ccc1[O-] ZINC000436735363 861920521 /nfs/dbraw/zinc/92/05/21/861920521.db2.gz FBHXKJMSSHJHOJ-TZMCWYRMSA-N -1 1 407.251 4.015 20 0 HIADMM Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436738507 861921759 /nfs/dbraw/zinc/92/17/59/861921759.db2.gz LURHNZHOSSYIRY-UHFFFAOYSA-N -1 1 406.507 4.295 20 0 HIADMM CC(C)c1c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cnn1-c1ccccc1 ZINC000045065559 848630214 /nfs/dbraw/zinc/63/02/14/848630214.db2.gz NUZPQVNNCNYEOS-UHFFFAOYSA-N -1 1 417.509 4.436 20 0 HIADMM CC(=O)N(c1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1)[C@H]1C[C@H]1C ZINC000436742362 861925168 /nfs/dbraw/zinc/92/51/68/861925168.db2.gz VYXRQRBIOZASNY-DIFFPNOSSA-N -1 1 403.276 4.168 20 0 HIADMM Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436743647 861928813 /nfs/dbraw/zinc/92/88/13/861928813.db2.gz YDVQUJUOXQWJFD-SNVBAGLBSA-N -1 1 421.341 4.183 20 0 HIADMM CCOc1ccc(CN(C)C(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000045575288 848694098 /nfs/dbraw/zinc/69/40/98/848694098.db2.gz DREWCJMLZIEOJO-UHFFFAOYSA-N -1 1 402.545 4.117 20 0 HIADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])cc1OC ZINC000436756946 861945889 /nfs/dbraw/zinc/94/58/89/861945889.db2.gz SZRGKLLCUMJLCI-OAHLLOKOSA-N -1 1 406.276 4.149 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C)[C@H](C)c3ccco3)c([O-])c2)c1 ZINC000436761367 861951001 /nfs/dbraw/zinc/95/10/01/861951001.db2.gz YQKRGBCNQSOSKV-CQSZACIVSA-N -1 1 424.453 4.088 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2ncsc2c1 ZINC000046588340 848880602 /nfs/dbraw/zinc/88/06/02/848880602.db2.gz PDXOEDRCPBVYEA-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM O=C(CCOc1cccc(F)c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588593 848880777 /nfs/dbraw/zinc/88/07/77/848880777.db2.gz SGTGCZRGJWOGMP-UHFFFAOYSA-N -1 1 414.458 4.034 20 0 HIADMM Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591948 848880804 /nfs/dbraw/zinc/88/08/04/848880804.db2.gz SSQCYIJLEKRDHR-UHFFFAOYSA-N -1 1 419.506 4.458 20 0 HIADMM O=C(Cc1cccc2cccnc21)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588629 848881073 /nfs/dbraw/zinc/88/10/73/848881073.db2.gz YXDRFGCUCAKTSD-UHFFFAOYSA-N -1 1 417.490 4.217 20 0 HIADMM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436764529 861955056 /nfs/dbraw/zinc/95/50/56/861955056.db2.gz RQPUPXSEOKFYRK-KRWDZBQOSA-N -1 1 409.404 4.241 20 0 HIADMM O=C(COc1ccccc1Cl)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046815999 848940720 /nfs/dbraw/zinc/94/07/20/848940720.db2.gz LSPPDWNSVATZCT-UHFFFAOYSA-N -1 1 416.886 4.158 20 0 HIADMM O=C(Cc1c[nH]c2ccccc12)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046815992 848940957 /nfs/dbraw/zinc/94/09/57/848940957.db2.gz DLVZLCCTOUVBBE-UHFFFAOYSA-N -1 1 405.479 4.150 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccc(O)cc4)no3)c2)c1 ZINC000436768862 861960344 /nfs/dbraw/zinc/96/03/44/861960344.db2.gz KXOQNQQCABJHJD-UHFFFAOYSA-N -1 1 407.451 4.218 20 0 HIADMM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436776901 861968545 /nfs/dbraw/zinc/96/85/45/861968545.db2.gz MMJSGALIQGLZIL-INIZCTEOSA-N -1 1 409.404 4.241 20 0 HIADMM COc1cc(Cl)c(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1C ZINC000436778073 861969256 /nfs/dbraw/zinc/96/92/56/861969256.db2.gz FERUTXREFFPWON-UHFFFAOYSA-N -1 1 415.833 4.164 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000047328152 849027060 /nfs/dbraw/zinc/02/70/60/849027060.db2.gz ZQHHJHMYAIQIRX-HSZRJFAPSA-N -1 1 418.541 4.320 20 0 HIADMM CCOc1cc(-c2nc(-c3cnc(C4CCCC4)nc3N)no2)cc(Cl)c1[O-] ZINC000436777727 861970643 /nfs/dbraw/zinc/97/06/43/861970643.db2.gz DHXUBDFGZBEFAV-UHFFFAOYSA-N -1 1 401.854 4.191 20 0 HIADMM Cc1ccccc1SCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362069 849032818 /nfs/dbraw/zinc/03/28/18/849032818.db2.gz UOTBGRJBUICFKI-AWEZNQCLSA-N -1 1 409.536 4.140 20 0 HIADMM CCOc1cc(-c2noc(Cc3c(C)nn(CC)c3C)n2)cc(Br)c1[O-] ZINC000436784390 861976885 /nfs/dbraw/zinc/97/68/85/861976885.db2.gz PPZBOKWJEABHBF-UHFFFAOYSA-N -1 1 421.295 4.027 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ncc(-c3ccccc3)o2)cc1 ZINC000047927602 849139686 /nfs/dbraw/zinc/13/96/86/849139686.db2.gz WUCQROMNTMSQRP-UHFFFAOYSA-N -1 1 419.510 4.278 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000436796668 861989456 /nfs/dbraw/zinc/98/94/56/861989456.db2.gz WZUIOXUWYLAGAD-INIZCTEOSA-N -1 1 414.658 4.161 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000436795103 861989780 /nfs/dbraw/zinc/98/97/80/861989780.db2.gz FAFJUDLNVCUCGL-GOSISDBHSA-N -1 1 405.281 4.287 20 0 HIADMM O=C(CCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1)N1CCCC1 ZINC000436795711 861990018 /nfs/dbraw/zinc/99/00/18/861990018.db2.gz ZVNLZJIEZMZHSK-UHFFFAOYSA-N -1 1 406.404 4.218 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])[C@@H]1CC1(C)C ZINC000436811349 861997210 /nfs/dbraw/zinc/99/72/10/861997210.db2.gz AAKXGZKJRURIHO-QGZVFWFLSA-N -1 1 417.303 4.278 20 0 HIADMM CCOc1cc(-c2noc([C@@H](C)Oc3cccnc3)n2)cc(Br)c1[O-] ZINC000436820091 862002705 /nfs/dbraw/zinc/00/27/05/862002705.db2.gz KMQJMWVMOWDXJA-SNVBAGLBSA-N -1 1 406.236 4.138 20 0 HIADMM S=c1[n-]nc(Cc2cccs2)n1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000050898086 849420160 /nfs/dbraw/zinc/42/01/60/849420160.db2.gz LBTMLWGDIXSPHF-KRWDZBQOSA-N -1 1 400.573 4.232 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000436836959 862017937 /nfs/dbraw/zinc/01/79/37/862017937.db2.gz FEGONCATUYRVRL-LJQANCHMSA-N -1 1 407.470 4.190 20 0 HIADMM Cc1cccn(Cc2c(F)cccc2NC(=O)c2ccc3ccccc3c2[O-])c1=O ZINC000436842680 862019173 /nfs/dbraw/zinc/01/91/73/862019173.db2.gz DYXKWRWJKOCSMD-UHFFFAOYSA-N -1 1 402.425 4.455 20 0 HIADMM O=C(Nc1ccc(Cc2nnc3ccccn32)cc1)c1cc(Br)ccc1[O-] ZINC000436841394 862019576 /nfs/dbraw/zinc/01/95/76/862019576.db2.gz ROSOJFHHRWIEPK-UHFFFAOYSA-N -1 1 423.270 4.041 20 0 HIADMM COc1ccc([C@H]2CCCN2C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000051862750 849523062 /nfs/dbraw/zinc/52/30/62/849523062.db2.gz XBCZRTIDWVUIBE-LJQANCHMSA-N -1 1 408.527 4.288 20 0 HIADMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(F)cc(Br)c1[O-] ZINC000436858571 862039256 /nfs/dbraw/zinc/03/92/56/862039256.db2.gz OSJQYPGYHSSJSF-UHFFFAOYSA-N -1 1 400.154 4.360 20 0 HIADMM CCc1nc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000436864801 862044625 /nfs/dbraw/zinc/04/46/25/862044625.db2.gz PFUQBIUMAQKVOJ-IFXJQAMLSA-N -1 1 423.538 4.046 20 0 HIADMM CC[C@@H](C)CN(CC)C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436874929 862051582 /nfs/dbraw/zinc/05/15/82/862051582.db2.gz WWNYLXLTRIOZAN-OAHLLOKOSA-N -1 1 414.502 4.170 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CC(=O)c4ccccc43)n2)cc(Br)c1[O-] ZINC000436871703 862048506 /nfs/dbraw/zinc/04/85/06/862048506.db2.gz KOFBTIZABGHINI-ZDUSSCGKSA-N -1 1 415.243 4.322 20 0 HIADMM CO[C@H](C)[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436875967 862052432 /nfs/dbraw/zinc/05/24/32/862052432.db2.gz ZRIZUGKWMONWQS-WDEREUQCSA-N -1 1 411.285 4.105 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(OC)c(F)c2)cc1 ZINC000053819593 849762806 /nfs/dbraw/zinc/76/28/06/849762806.db2.gz XDVNGUFMGGJTSI-UHFFFAOYSA-N -1 1 416.478 4.183 20 0 HIADMM [O-]c1ccc(-c2noc([C@H]3CCO[C@@H]3c3cnn(Cc4ccccc4)c3)n2)cc1F ZINC000436876731 862055245 /nfs/dbraw/zinc/05/52/45/862055245.db2.gz BDSZHHUQMOZILJ-FXAWDEMLSA-N -1 1 406.417 4.071 20 0 HIADMM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000054294566 849840914 /nfs/dbraw/zinc/84/09/14/849840914.db2.gz NSGAWKXTZOSQFP-UHFFFAOYSA-N -1 1 413.499 4.334 20 0 HIADMM O=C(Nc1nc(-c2ccc(Br)cc2)cs1)C(=O)c1ccc([O-])cc1 ZINC000436882546 862062559 /nfs/dbraw/zinc/06/25/59/862062559.db2.gz SMHNZAODUHVFQE-UHFFFAOYSA-N -1 1 403.257 4.100 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000054402458 849860817 /nfs/dbraw/zinc/86/08/17/849860817.db2.gz XNBAJXLLJXKPAF-NSHDSACASA-N -1 1 416.453 4.102 20 0 HIADMM CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000436887996 862065569 /nfs/dbraw/zinc/06/55/69/862065569.db2.gz SDMHOJXCRANYGY-HXUWFJFHSA-N -1 1 401.850 4.159 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc(COC)c3)n2)cc(Br)c1[O-] ZINC000436892456 862069997 /nfs/dbraw/zinc/06/99/97/862069997.db2.gz JKWVBMXIPLIZKP-UHFFFAOYSA-N -1 1 405.248 4.417 20 0 HIADMM CCOc1cc(-c2noc(/C=C/c3ccc(C)nc3)n2)cc(Br)c1[O-] ZINC000436895625 862072446 /nfs/dbraw/zinc/07/24/46/862072446.db2.gz YAYGWEDSTCJXLE-VOTSOKGWSA-N -1 1 402.248 4.477 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)n1 ZINC000054912717 849940184 /nfs/dbraw/zinc/94/01/84/849940184.db2.gz QRCKTJJNIRVHAH-UHFFFAOYSA-N -1 1 418.519 4.295 20 0 HIADMM CN(Cc1ccccc1F)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000055093624 849967596 /nfs/dbraw/zinc/96/75/96/849967596.db2.gz ZQRHIVRVVFXHBL-UHFFFAOYSA-N -1 1 414.383 4.334 20 0 HIADMM Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436905320 862082854 /nfs/dbraw/zinc/08/28/54/862082854.db2.gz NSMVXGLMRKCTHP-UHFFFAOYSA-N -1 1 403.413 4.215 20 0 HIADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000436906127 862083122 /nfs/dbraw/zinc/08/31/22/862083122.db2.gz PRPTWOHHBDKYCU-UHFFFAOYSA-N -1 1 416.437 4.133 20 0 HIADMM Cc1occc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000055461421 850030984 /nfs/dbraw/zinc/03/09/84/850030984.db2.gz ALGWKVMKZBQTMO-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM O=C(C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1)c1ccc([O-])cc1 ZINC000436908376 862085146 /nfs/dbraw/zinc/08/51/46/862085146.db2.gz ISTGTNCABBOXFA-UHFFFAOYSA-N -1 1 408.281 4.199 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCC1=O ZINC000436908340 862085184 /nfs/dbraw/zinc/08/51/84/862085184.db2.gz IFPZQJGOQBUSQL-LLVKDONJSA-N -1 1 421.280 4.002 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NNc3ccc(F)cc3)ccc2C)c1 ZINC000055544293 850049629 /nfs/dbraw/zinc/04/96/29/850049629.db2.gz BORYLGKSNJQWJQ-UHFFFAOYSA-N -1 1 413.474 4.000 20 0 HIADMM O=C(NNc1ccc(F)cc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000055544361 850050323 /nfs/dbraw/zinc/05/03/23/850050323.db2.gz RECIFILAFBVNGJ-UHFFFAOYSA-N -1 1 419.865 4.037 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000055567536 850057105 /nfs/dbraw/zinc/05/71/05/850057105.db2.gz VJWUMXZORXCGAW-UHFFFAOYSA-N -1 1 404.532 4.065 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)c2ccccc12 ZINC000055581485 850061410 /nfs/dbraw/zinc/06/14/10/850061410.db2.gz VXQWMVORAJUKTG-UHFFFAOYSA-N -1 1 413.499 4.179 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccco2)cc1 ZINC000055580752 850062280 /nfs/dbraw/zinc/06/22/80/850062280.db2.gz CWTMMDUTYWMUOW-UHFFFAOYSA-N -1 1 419.890 4.364 20 0 HIADMM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000055601711 850075224 /nfs/dbraw/zinc/07/52/24/850075224.db2.gz OELRBPZSBVHJLZ-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)cc1Cl ZINC000055632198 850083939 /nfs/dbraw/zinc/08/39/39/850083939.db2.gz HPHPKNWXTOYCAK-UHFFFAOYSA-N -1 1 404.875 4.123 20 0 HIADMM O=C(Cc1ccccc1)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1F ZINC000055633954 850085060 /nfs/dbraw/zinc/08/50/60/850085060.db2.gz QRYOPILYVAPMBZ-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1 ZINC000055651300 850096094 /nfs/dbraw/zinc/09/60/94/850096094.db2.gz QIGQXGHGNXBCBR-UHFFFAOYSA-N -1 1 416.543 4.067 20 0 HIADMM O=C(NC1CCCCC1)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1Cl ZINC000055688414 850113433 /nfs/dbraw/zinc/11/34/33/850113433.db2.gz HWCILJNSQBYZHD-UHFFFAOYSA-N -1 1 410.898 4.342 20 0 HIADMM CSc1cccc([C@@H](NC(=O)C(=O)c2ccc([O-])cc2)c2cc(F)ccc2F)c1 ZINC000436915922 862095944 /nfs/dbraw/zinc/09/59/44/862095944.db2.gz TZJBOUUMALQPTM-HXUWFJFHSA-N -1 1 413.445 4.481 20 0 HIADMM CC(C)COc1ccc(CC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000436922116 862102742 /nfs/dbraw/zinc/10/27/42/862102742.db2.gz YUUDQIWLTPESII-UHFFFAOYSA-N -1 1 400.866 4.047 20 0 HIADMM CC(C)COc1ccc(CC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1 ZINC000436922116 862102760 /nfs/dbraw/zinc/10/27/60/862102760.db2.gz YUUDQIWLTPESII-UHFFFAOYSA-N -1 1 400.866 4.047 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000056066490 850237361 /nfs/dbraw/zinc/23/73/61/850237361.db2.gz LKOQYGKIPYOJAA-UHFFFAOYSA-N -1 1 412.449 4.114 20 0 HIADMM O=C(Nc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1)c1ccoc1 ZINC000436933157 862110550 /nfs/dbraw/zinc/11/05/50/862110550.db2.gz PHILEPGRZOGPNX-UHFFFAOYSA-N -1 1 401.216 4.252 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000436933008 862111069 /nfs/dbraw/zinc/11/10/69/862111069.db2.gz PFKKHASGQOZSTE-NSHDSACASA-N -1 1 423.313 4.266 20 0 HIADMM CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc([O-])cc1F ZINC000436947702 862124577 /nfs/dbraw/zinc/12/45/77/862124577.db2.gz ZSIJVVODPNHAGH-OAHLLOKOSA-N -1 1 410.283 4.062 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000436952217 862130406 /nfs/dbraw/zinc/13/04/06/862130406.db2.gz IJSZIJFBGPUTGP-MRXNPFEDSA-N -1 1 414.658 4.161 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000436953360 862132848 /nfs/dbraw/zinc/13/28/48/862132848.db2.gz OPNOIDVLWHCPAD-MRXNPFEDSA-N -1 1 414.658 4.161 20 0 HIADMM CCOc1cc(-c2noc(Cc3cncn3Cc3ccccc3)n2)cc(Cl)c1[O-] ZINC000436953809 862132902 /nfs/dbraw/zinc/13/29/02/862132902.db2.gz BRCSDOIKRJLKJM-UHFFFAOYSA-N -1 1 410.861 4.330 20 0 HIADMM O=C(Nc1nc(-c2ccccc2)c(Br)s1)C(=O)c1ccc([O-])cc1 ZINC000436954480 862133974 /nfs/dbraw/zinc/13/39/74/862133974.db2.gz WFYNLYKPCRQVEM-UHFFFAOYSA-N -1 1 403.257 4.100 20 0 HIADMM COc1ccc(N(CC(C)C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436956536 862135626 /nfs/dbraw/zinc/13/56/26/862135626.db2.gz NASPHMWAOMNHNZ-UHFFFAOYSA-N -1 1 423.469 4.252 20 0 HIADMM COc1cc([C@@H](NC(=O)c2ccc(Cl)cc2[O-])C(F)(F)F)cc(OC)c1OC ZINC000436956694 862135719 /nfs/dbraw/zinc/13/57/19/862135719.db2.gz OPJGMDIMDFTOPD-MRXNPFEDSA-N -1 1 419.783 4.105 20 0 HIADMM Cc1nc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc2)oc1C ZINC000057120384 850552378 /nfs/dbraw/zinc/55/23/78/850552378.db2.gz DOEVGSHRJXCBEZ-UHFFFAOYSA-N -1 1 406.847 4.111 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccccc3)cc2C)cc1C(N)=O ZINC000057125591 850555300 /nfs/dbraw/zinc/55/53/00/850555300.db2.gz NLQOGAFFHWSEQB-UHFFFAOYSA-N -1 1 412.536 4.354 20 0 HIADMM CCCCOc1ccc(C(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)c([O-])c1 ZINC000436972787 862150719 /nfs/dbraw/zinc/15/07/19/862150719.db2.gz QQQZLNBKALSUOS-UHFFFAOYSA-N -1 1 405.516 4.147 20 0 HIADMM CCCCOc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c([O-])c1 ZINC000436974101 862151201 /nfs/dbraw/zinc/15/12/01/862151201.db2.gz WVCWCDRIHIUVSP-INIZCTEOSA-N -1 1 422.485 4.220 20 0 HIADMM Cc1ccc([C@@H](C)CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436978170 862156865 /nfs/dbraw/zinc/15/68/65/862156865.db2.gz GPNMVRKMXAEPCU-FDDCHVKYSA-N -1 1 416.521 4.378 20 0 HIADMM CN1CC[C@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436978917 862157046 /nfs/dbraw/zinc/15/70/46/862157046.db2.gz IOCQKGMCJLNZMX-DIFFPNOSSA-N -1 1 415.267 4.400 20 0 HIADMM CN(C(=O)c1ccc(Br)cc1[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000436985202 862165402 /nfs/dbraw/zinc/16/54/02/862165402.db2.gz DJHDAAKGPYIIRX-QAPCUYQASA-N -1 1 408.267 4.286 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccnn3C3CCCC3)cc2)cc1 ZINC000057989656 850749512 /nfs/dbraw/zinc/74/95/12/850749512.db2.gz CPPWHILQFNGRBL-UHFFFAOYSA-N -1 1 424.526 4.360 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C)c3ccccc32)c1 ZINC000436988011 862164003 /nfs/dbraw/zinc/16/40/03/862164003.db2.gz KJYRRRDDMXLSMJ-AWEZNQCLSA-N -1 1 405.454 4.485 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCc4ccccc4C3)cc2)cc1 ZINC000058147331 850772506 /nfs/dbraw/zinc/77/25/06/850772506.db2.gz PZHLKEWSYCKXIZ-QFIPXVFZSA-N -1 1 420.534 4.083 20 0 HIADMM O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058142657 850772812 /nfs/dbraw/zinc/77/28/12/850772812.db2.gz WYJCKJBUYQCDGA-UHFFFAOYSA-N -1 1 406.507 4.157 20 0 HIADMM CO[C@H](C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000058255721 850787565 /nfs/dbraw/zinc/78/75/65/850787565.db2.gz LRNAEVRUUBINHJ-NRFANRHFSA-N -1 1 410.495 4.122 20 0 HIADMM CCOc1cc(F)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058448051 850827506 /nfs/dbraw/zinc/82/75/06/850827506.db2.gz DXFKSNOQGXHZLR-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM CC(C)(C)N1CC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436999619 862172737 /nfs/dbraw/zinc/17/27/37/862172737.db2.gz KJQDLMULSXADMN-OALUTQOASA-N -1 1 418.896 4.098 20 0 HIADMM O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000436997999 862172955 /nfs/dbraw/zinc/17/29/55/862172955.db2.gz GYNURPFIWFDJNY-CQSZACIVSA-N -1 1 416.802 4.208 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)OCc1ccccc1F ZINC000058818026 850936923 /nfs/dbraw/zinc/93/69/23/850936923.db2.gz UBEOQKLUIDIPPC-UHFFFAOYSA-N -1 1 417.433 4.052 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000059352597 850999444 /nfs/dbraw/zinc/99/94/44/850999444.db2.gz DDOCAJFEPXYKFF-UHFFFAOYSA-N -1 1 421.498 4.186 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1)C(F)(F)F ZINC000059768419 851011469 /nfs/dbraw/zinc/01/14/69/851011469.db2.gz PNTOZYSWJYTNJF-UHFFFAOYSA-N -1 1 412.311 4.007 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000060166108 851048611 /nfs/dbraw/zinc/04/86/11/851048611.db2.gz MXWWBLDBQSGEMP-UHFFFAOYSA-N -1 1 410.829 4.393 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1coc(Br)c1 ZINC000060401582 851088089 /nfs/dbraw/zinc/08/80/89/851088089.db2.gz LWNIDDYVOJRZJE-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM O=C(Cc1c(F)cccc1Cl)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401303 851088164 /nfs/dbraw/zinc/08/81/64/851088164.db2.gz NQNZHTTYFPDXQL-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM Cc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(C)c1 ZINC000060412035 851090591 /nfs/dbraw/zinc/09/05/91/851090591.db2.gz UWBHCLYCPARPIR-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM CCc1cccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000060412082 851090963 /nfs/dbraw/zinc/09/09/63/851090963.db2.gz GIPKMIDPHSGPEB-UHFFFAOYSA-N -1 1 424.522 4.376 20 0 HIADMM Cc1ccc(C)c(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000060412102 851091155 /nfs/dbraw/zinc/09/11/55/851091155.db2.gz ORVFIWXPBCJSCN-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM COc1cc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)ccc1OCC(C)C ZINC000060499412 851122365 /nfs/dbraw/zinc/12/23/65/851122365.db2.gz GZBUKIUXRBUXIG-GFCCVEGCSA-N -1 1 417.449 4.187 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000060521696 851132881 /nfs/dbraw/zinc/13/28/81/851132881.db2.gz VSRYZICALDIMTL-MRXNPFEDSA-N -1 1 423.513 4.096 20 0 HIADMM CC(=O)Nc1ccc(Cl)c(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)c1 ZINC000061413196 851370623 /nfs/dbraw/zinc/37/06/23/851370623.db2.gz FMUNNXSAQDMUQF-UHFFFAOYSA-N -1 1 415.906 4.167 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1c(Cl)ccc2cccnc21 ZINC000062294372 851525880 /nfs/dbraw/zinc/52/58/80/851525880.db2.gz KPMVVQLRJOXEBT-UHFFFAOYSA-N -1 1 404.875 4.007 20 0 HIADMM CC(=O)Nc1cc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)ccc1Cl ZINC000063335355 851665386 /nfs/dbraw/zinc/66/53/86/851665386.db2.gz WWXOAQOJAAKVCC-UHFFFAOYSA-N -1 1 415.906 4.167 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000063465720 851696873 /nfs/dbraw/zinc/69/68/73/851696873.db2.gz RVRIJDWVSIBFMN-UHFFFAOYSA-N -1 1 406.251 4.029 20 0 HIADMM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)ccc21 ZINC000063476048 851700035 /nfs/dbraw/zinc/70/00/35/851700035.db2.gz OKHRJQYTIPJTRS-UHFFFAOYSA-N -1 1 411.527 4.225 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000063722240 851748336 /nfs/dbraw/zinc/74/83/36/851748336.db2.gz FULNXFXZYCJFBY-UHFFFAOYSA-N -1 1 420.494 4.162 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)NCc1c(C)cc(C)cc1C ZINC000063798959 851767615 /nfs/dbraw/zinc/76/76/15/851767615.db2.gz KVDBBBUMEFAVSU-UHFFFAOYSA-N -1 1 408.527 4.188 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3C(C)C)ccc2C)c1 ZINC000063814990 851770434 /nfs/dbraw/zinc/77/04/34/851770434.db2.gz QMCMYUDGUXZYKA-HXUWFJFHSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(Br)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877710 851783364 /nfs/dbraw/zinc/78/33/64/851783364.db2.gz USOOTINTWJTVAD-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1C ZINC000063878289 851783815 /nfs/dbraw/zinc/78/38/15/851783815.db2.gz UFEZCTVEYLQDAE-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)c2)oc1C ZINC000063877809 851784240 /nfs/dbraw/zinc/78/42/40/851784240.db2.gz RFBYNECBFSQASE-UHFFFAOYSA-N -1 1 424.837 4.250 20 0 HIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911861 851791657 /nfs/dbraw/zinc/79/16/57/851791657.db2.gz KYJYROXYNUSPAQ-UHFFFAOYSA-N -1 1 404.385 4.240 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CC3CCCC3)cc2)cc1C ZINC000064088974 851825699 /nfs/dbraw/zinc/82/56/99/851825699.db2.gz ZJKLWBWHGUHMTA-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000064336630 851874652 /nfs/dbraw/zinc/87/46/52/851874652.db2.gz WVQSNLAEAMIVCC-UHFFFAOYSA-N -1 1 407.474 4.062 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000064335963 851874755 /nfs/dbraw/zinc/87/47/55/851874755.db2.gz ISAIERGEMDSKMI-UHFFFAOYSA-N -1 1 401.470 4.367 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC(C)=O)cc1C ZINC000064373578 851880669 /nfs/dbraw/zinc/88/06/69/851880669.db2.gz KTVVLCAMTVSEOJ-UHFFFAOYSA-N -1 1 416.421 4.090 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c(C)c1 ZINC000064937988 852026378 /nfs/dbraw/zinc/02/63/78/852026378.db2.gz FWHDSXHFYQMCEJ-UHFFFAOYSA-N -1 1 421.462 4.433 20 0 HIADMM COc1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000065160071 852081018 /nfs/dbraw/zinc/08/10/18/852081018.db2.gz JLBYVSBOKFATBU-UHFFFAOYSA-N -1 1 410.495 4.081 20 0 HIADMM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]NC(=O)NCCc1cccs1 ZINC000065201944 852086273 /nfs/dbraw/zinc/08/62/73/852086273.db2.gz XQPLDFGZMWJRPT-UHFFFAOYSA-N -1 1 420.947 4.020 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)cc1Cl ZINC000065223411 852089282 /nfs/dbraw/zinc/08/92/82/852089282.db2.gz DTPYNDQGMYJNKD-UHFFFAOYSA-N -1 1 406.935 4.430 20 0 HIADMM Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c(C)c1 ZINC000065613538 852198299 /nfs/dbraw/zinc/19/82/99/852198299.db2.gz SZAMOBWSLYJPDD-UHFFFAOYSA-N -1 1 422.550 4.385 20 0 HIADMM O=C(NCCc1ccc(F)cc1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000065619691 852201826 /nfs/dbraw/zinc/20/18/26/852201826.db2.gz HZFAJWPLBMXVLO-UHFFFAOYSA-N -1 1 414.383 4.034 20 0 HIADMM COc1ccc2c(c1)oc(C(=O)[N-]NC(=O)c1ccccc1C)c2-c1ccccc1 ZINC000065626391 852203189 /nfs/dbraw/zinc/20/31/89/852203189.db2.gz QLGNIILDMREEMI-UHFFFAOYSA-N -1 1 400.434 4.492 20 0 HIADMM O=C(Nc1nc(-c2ccccc2)ns1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000065786365 852255913 /nfs/dbraw/zinc/25/59/13/852255913.db2.gz PJACXZZNBWTBLY-UHFFFAOYSA-N -1 1 408.483 4.038 20 0 HIADMM CC(C)OCCOCc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000065785754 852256429 /nfs/dbraw/zinc/25/64/29/852256429.db2.gz AXZGYIMWEQLMJW-UHFFFAOYSA-N -1 1 408.292 4.349 20 0 HIADMM CC[C@@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000068852105 852373293 /nfs/dbraw/zinc/37/32/93/852373293.db2.gz YAJAFLQCPITFDB-GOSISDBHSA-N -1 1 404.507 4.340 20 0 HIADMM CC[C@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000068852110 852373682 /nfs/dbraw/zinc/37/36/82/852373682.db2.gz YAJAFLQCPITFDB-SFHVURJKSA-N -1 1 404.507 4.340 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1cc(-c2cccs2)[nH]n1 ZINC000072006304 852461149 /nfs/dbraw/zinc/46/11/49/852461149.db2.gz VECPBUVZVOQQJR-UHFFFAOYSA-N -1 1 402.530 4.150 20 0 HIADMM CN(C(=O)c1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000072034583 852478299 /nfs/dbraw/zinc/47/82/99/852478299.db2.gz WIKGRRPMQYWJEH-UHFFFAOYSA-N -1 1 400.887 4.417 20 0 HIADMM CCC(CC)(NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000078403235 852513082 /nfs/dbraw/zinc/51/30/82/852513082.db2.gz XXRSYXNTRBVAIL-UHFFFAOYSA-N -1 1 424.932 4.168 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000097028919 852575110 /nfs/dbraw/zinc/57/51/10/852575110.db2.gz NYGFAWPFGSGLGA-UHFFFAOYSA-N -1 1 410.470 4.390 20 0 HIADMM O=C(c1cccs1)c1ccccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000097052554 852578603 /nfs/dbraw/zinc/57/86/03/852578603.db2.gz CNCSSXASISMDHY-UHFFFAOYSA-N -1 1 419.502 4.420 20 0 HIADMM CCN(c1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=S)n3CC)C2)cc1)C(C)C ZINC000097570125 852632291 /nfs/dbraw/zinc/63/22/91/852632291.db2.gz BRZZKOWRXGHBID-KRWDZBQOSA-N -1 1 401.580 4.215 20 0 HIADMM CCCCN(C)c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=S)n3CC)C2)cc1 ZINC000097570115 852632554 /nfs/dbraw/zinc/63/25/54/852632554.db2.gz OGCSQJDJWHSXBJ-QGZVFWFLSA-N -1 1 401.580 4.217 20 0 HIADMM O=C(Nc1cccc(C(=O)Nc2c([O-])cccc2F)c1)c1ccc(Br)o1 ZINC000097589313 852638388 /nfs/dbraw/zinc/63/83/88/852638388.db2.gz OLKYKEHJSMUSFR-UHFFFAOYSA-N -1 1 419.206 4.391 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1 ZINC000104737697 852675358 /nfs/dbraw/zinc/67/53/58/852675358.db2.gz JZKNEUXAVKOGJD-UHFFFAOYSA-N -1 1 423.538 4.155 20 0 HIADMM CCCCN1C(=O)CC[C@H](C(=O)[N-]OCc2ccccc2)[C@@H]1c1ccccc1OC ZINC000105181877 852693886 /nfs/dbraw/zinc/69/38/86/852693886.db2.gz XJKUVAGDSRURRP-REWPJTCUSA-N -1 1 410.514 4.023 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCc2ccccc21 ZINC000105719686 852724364 /nfs/dbraw/zinc/72/43/64/852724364.db2.gz DNMAFDYITDOLGK-JOCHJYFZSA-N -1 1 424.497 4.386 20 0 HIADMM Cc1ccc(Sc2ccc(C=CC(=O)c3c([O-])cc(C)oc3=O)cc2[N+](=O)[O-])cc1 ZINC000108001006 852816201 /nfs/dbraw/zinc/81/62/01/852816201.db2.gz HQXHUDLQXXDDHQ-BHQIVLKMSA-N -1 1 423.446 4.283 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2cccs2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000108342184 852841535 /nfs/dbraw/zinc/84/15/35/852841535.db2.gz RFRNMXPYBCXXHL-UHFFFAOYSA-N -1 1 417.531 4.167 20 0 HIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c2)n1 ZINC000108355802 852842144 /nfs/dbraw/zinc/84/21/44/852842144.db2.gz DYHLWDPCVQFBDB-UHFFFAOYSA-N -1 1 418.478 4.009 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1 ZINC000108528077 852856353 /nfs/dbraw/zinc/85/63/53/852856353.db2.gz WLRJQUSKFBFRHD-UHFFFAOYSA-N -1 1 411.506 4.294 20 0 HIADMM CCOc1ccc(NC(=O)Cn2c(-c3ccc(Cl)cc3)n[n-]c2=S)cc1F ZINC000108579038 852861436 /nfs/dbraw/zinc/86/14/36/852861436.db2.gz PNWDYCYLHKAGFO-UHFFFAOYSA-N -1 1 406.870 4.438 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(COC(C)C)c2)cc1 ZINC000109125767 852924731 /nfs/dbraw/zinc/92/47/31/852924731.db2.gz LYJFCAWETMYZSP-UHFFFAOYSA-N -1 1 412.515 4.180 20 0 HIADMM CCCN(CC(F)F)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000109658796 852995607 /nfs/dbraw/zinc/99/56/07/852995607.db2.gz BHXFNWXWJBDPAD-UHFFFAOYSA-N -1 1 414.449 4.052 20 0 HIADMM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1Cl ZINC000110016168 853048516 /nfs/dbraw/zinc/04/85/16/853048516.db2.gz MPZHAEZDXDBIJQ-LJQANCHMSA-N -1 1 424.884 4.451 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(c1ccc2[nH]ccc2c1)[C@H](C)CC(C)C ZINC000111196944 853220055 /nfs/dbraw/zinc/22/00/55/853220055.db2.gz KOKPOZNTJCQPAX-OAHLLOKOSA-N -1 1 419.529 4.131 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc4[nH]c([C@@H]5CCCO5)nc4c3)cc2)co1 ZINC000112639975 853236775 /nfs/dbraw/zinc/23/67/75/853236775.db2.gz KUXJOWVLADPOMC-FQEVSTJZSA-N -1 1 424.482 4.179 20 0 HIADMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2s1 ZINC000117333990 853354472 /nfs/dbraw/zinc/35/44/72/853354472.db2.gz CSFSVSXGYSGLHZ-UHFFFAOYSA-N -1 1 407.492 4.283 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(O)c3)cc2)c1C ZINC000117675059 853364927 /nfs/dbraw/zinc/36/49/27/853364927.db2.gz ADYWKHNWESKKOH-UHFFFAOYSA-N -1 1 424.522 4.082 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1Br ZINC000147468698 853588865 /nfs/dbraw/zinc/58/88/65/853588865.db2.gz RPIOWBQBGQTVRV-UHFFFAOYSA-N -1 1 421.110 4.021 20 0 HIADMM CC(C)(C)CNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000195623955 853721779 /nfs/dbraw/zinc/72/17/79/853721779.db2.gz CFFQMLIVOIMRIQ-UHFFFAOYSA-N -1 1 405.292 4.183 20 0 HIADMM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3[O-])cc2Cl)n1 ZINC000195722523 853778776 /nfs/dbraw/zinc/77/87/76/853778776.db2.gz DJRLGYIQBUOHOY-CQSZACIVSA-N -1 1 412.877 4.311 20 0 HIADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)cc21 ZINC000195730733 853782652 /nfs/dbraw/zinc/78/26/52/853782652.db2.gz XGSWUXHZLWZBTE-UHFFFAOYSA-N -1 1 401.822 4.112 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4c3cccc4C)cc2)cc1 ZINC000195735283 853786034 /nfs/dbraw/zinc/78/60/34/853786034.db2.gz NDBSABXEYYVTNS-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM CC(=O)CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000216547378 853855118 /nfs/dbraw/zinc/85/51/18/853855118.db2.gz IAHUGDLSBACSJV-UHFFFAOYSA-N -1 1 408.907 4.147 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(Br)c1)c1ccc(Br)cc1 ZINC000229400461 853891898 /nfs/dbraw/zinc/89/18/98/853891898.db2.gz WGUBUDCBSMKDDL-UHFFFAOYSA-N -1 1 409.074 4.152 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1cnc(-c2ccccc2)nc1 ZINC000247751243 854161266 /nfs/dbraw/zinc/16/12/66/854161266.db2.gz ASYRWSPXGJWYHS-UHFFFAOYSA-N -1 1 408.512 4.155 20 0 HIADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H]1C ZINC000251612598 854199011 /nfs/dbraw/zinc/19/90/11/854199011.db2.gz DCBQLQIASPNENX-QEEYODRMSA-N -1 1 404.507 4.181 20 0 HIADMM C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)cc1 ZINC000261369485 854236165 /nfs/dbraw/zinc/23/61/65/854236165.db2.gz ZVYJUZXXSSJQCB-HZPDHXFCSA-N -1 1 414.933 4.206 20 0 HIADMM Cc1nc(-c2ccc(N(C)Cc3ccc(Br)s3)nc2)[n-]c(=O)c1C ZINC000301340256 854364626 /nfs/dbraw/zinc/36/46/26/854364626.db2.gz FSJCAOLHADMUAK-UHFFFAOYSA-N -1 1 405.321 4.321 20 0 HIADMM Cc1nc(-c2ccc(NCCc3ccc(Br)s3)nc2)[n-]c(=O)c1C ZINC000301351827 854368212 /nfs/dbraw/zinc/36/82/12/854368212.db2.gz KJXVYYDGRMZMCY-UHFFFAOYSA-N -1 1 405.321 4.340 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccc(Br)c(F)c3)nc2)[n-]c(=O)c1C ZINC000301412199 854386703 /nfs/dbraw/zinc/38/67/03/854386703.db2.gz PSFKMUQXWQCWOY-UHFFFAOYSA-N -1 1 403.255 4.375 20 0 HIADMM Cc1nnc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1[C@H]1CCC[C@H](C)C1 ZINC000301820692 854471554 /nfs/dbraw/zinc/47/15/54/854471554.db2.gz BDMUNEMIUHPRLM-BBRMVZONSA-N -1 1 421.530 4.323 20 0 HIADMM O=Cc1cc(Cl)c(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1Cl ZINC000301842679 854474902 /nfs/dbraw/zinc/47/49/02/854474902.db2.gz QPDJBSXRFBZWFL-UHFFFAOYSA-N -1 1 401.209 4.433 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cccn2C)cc1 ZINC000302804972 854639671 /nfs/dbraw/zinc/63/96/71/854639671.db2.gz ARVCXEAFTUOQGG-QFIPXVFZSA-N -1 1 423.538 4.112 20 0 HIADMM O=S(=O)([N-]C1CCC2(CCOCC2)CC1)c1c(Cl)cccc1C(F)(F)F ZINC000437322430 862588847 /nfs/dbraw/zinc/58/88/47/862588847.db2.gz KHUBAXBQYPZKJK-UHFFFAOYSA-N -1 1 411.873 4.377 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(-c3nccn3C)c2)c1 ZINC000302983803 854709549 /nfs/dbraw/zinc/70/95/49/854709549.db2.gz VYTNKGFNLLZFJU-UHFFFAOYSA-N -1 1 418.526 4.345 20 0 HIADMM O=C(Nc1ccc(C(=O)NCc2cc(F)ccc2F)c([O-])c1)c1cc(F)cc(F)c1 ZINC000303169668 854798270 /nfs/dbraw/zinc/79/82/70/854798270.db2.gz BEXZTCOTBVPMRG-UHFFFAOYSA-N -1 1 418.346 4.131 20 0 HIADMM Cc1cc(=O)[nH]c(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)cc2)n1 ZINC000303233796 854828492 /nfs/dbraw/zinc/82/84/92/854828492.db2.gz YPWAEZGHWFCPJJ-UHFFFAOYSA-N -1 1 423.416 4.286 20 0 HIADMM Cc1ncsc1COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000303485397 854977237 /nfs/dbraw/zinc/97/72/37/854977237.db2.gz QVPBPCBJQGOTKZ-UHFFFAOYSA-N -1 1 416.524 4.226 20 0 HIADMM CC(C)(CNC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)c1cccs1 ZINC000303523863 855011114 /nfs/dbraw/zinc/01/11/14/855011114.db2.gz DMJUIJRYWCGADY-UHFFFAOYSA-N -1 1 406.964 4.417 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCC1(c2cccc(Cl)c2)CC1 ZINC000303844155 855240978 /nfs/dbraw/zinc/24/09/78/855240978.db2.gz QTUYUUOOVFMCMV-UHFFFAOYSA-N -1 1 404.948 4.171 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)c(C(F)(F)F)c1 ZINC000303865364 855258834 /nfs/dbraw/zinc/25/88/34/855258834.db2.gz PQSPHTNGUMYBGJ-UHFFFAOYSA-N -1 1 420.384 4.002 20 0 HIADMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000314695093 855377185 /nfs/dbraw/zinc/37/71/85/855377185.db2.gz UHRKVGDRWHPGHK-UHFFFAOYSA-N -1 1 423.741 4.313 20 0 HIADMM COc1cc(C)ccc1-c1noc(-c2ccc(I)c([O-])c2)n1 ZINC000318592713 855384299 /nfs/dbraw/zinc/38/42/99/855384299.db2.gz QCYKRUWQWOGXLA-UHFFFAOYSA-N -1 1 408.195 4.031 20 0 HIADMM Cc1sc(Br)cc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000322676864 855392395 /nfs/dbraw/zinc/39/23/95/855392395.db2.gz IWRROKUIMPTYOQ-VIFPVBQESA-N -1 1 418.334 4.198 20 0 HIADMM Cc1cc(Br)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1Cl ZINC000326504276 855410120 /nfs/dbraw/zinc/41/01/20/855410120.db2.gz IWUNAGAGIBHBDU-UHFFFAOYSA-N -1 1 406.667 4.347 20 0 HIADMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCCC12CCCC2 ZINC000326979364 855414110 /nfs/dbraw/zinc/41/41/10/855414110.db2.gz JKZKKKVRDCTKOL-HNNXBMFYSA-N -1 1 417.325 4.139 20 0 HIADMM CC(C)SCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000382143814 855433559 /nfs/dbraw/zinc/43/35/59/855433559.db2.gz RJOLOCWUGWNGIM-UHFFFAOYSA-N -1 1 407.182 4.176 20 0 HIADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1Br ZINC000389005334 855448957 /nfs/dbraw/zinc/44/89/57/855448957.db2.gz CLUMSFZZDKYSDH-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409454458 855487429 /nfs/dbraw/zinc/48/74/29/855487429.db2.gz YFEZFIKNBPUSEJ-LAUBAEHRSA-N -1 1 424.298 4.387 20 0 HIADMM CC1(c2ccccc2)CC(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000410079692 855810747 /nfs/dbraw/zinc/81/07/47/855810747.db2.gz ZGDXBYRGOUUEPJ-UHFFFAOYSA-N -1 1 420.534 4.338 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c2cccnc12 ZINC000410342012 855938242 /nfs/dbraw/zinc/93/82/42/855938242.db2.gz ZCOLFLCLDODLKK-UHFFFAOYSA-N -1 1 411.508 4.476 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1cc2c(cc1Cl)OCCO2 ZINC000410418633 855988350 /nfs/dbraw/zinc/98/83/50/855988350.db2.gz NQHPYNVJJJQUQV-UHFFFAOYSA-N -1 1 412.653 4.358 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC(C)(C)c2ccccc21 ZINC000425956579 856016922 /nfs/dbraw/zinc/01/69/22/856016922.db2.gz XSGLLKJCTQMVRG-UHFFFAOYSA-N -1 1 402.498 4.200 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)C(C)(C)C)cc3)cc2C[C@@H]1C ZINC000425967067 856021835 /nfs/dbraw/zinc/02/18/35/856021835.db2.gz NAGARDYNZGFIKM-AWEZNQCLSA-N -1 1 414.527 4.014 20 0 HIADMM CC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)CCC1 ZINC000426028980 856057122 /nfs/dbraw/zinc/05/71/22/856057122.db2.gz ISFSSMLTGGCLQW-UHFFFAOYSA-N -1 1 423.332 4.379 20 0 HIADMM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000426317011 856241840 /nfs/dbraw/zinc/24/18/40/856241840.db2.gz LDYRUGBHPGJDIT-UHFFFAOYSA-N -1 1 411.874 4.393 20 0 HIADMM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000426655865 856397742 /nfs/dbraw/zinc/39/77/42/856397742.db2.gz VEMACYAOLIFAJI-GOSISDBHSA-N -1 1 405.372 4.457 20 0 HIADMM Cc1nc(CCCNCc2csc(COc3ccc(C)cc3)n2)sc1C(=O)[O-] ZINC000426698629 856418423 /nfs/dbraw/zinc/41/84/23/856418423.db2.gz ZXIVJEARHOZZCA-UHFFFAOYSA-N -1 1 417.556 4.216 20 0 HIADMM Cc1nc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)ccc1-c1ccccc1 ZINC000426732537 856440447 /nfs/dbraw/zinc/44/04/47/856440447.db2.gz UICLNABDDLHFGC-UHFFFAOYSA-N -1 1 411.465 4.104 20 0 HIADMM O=C([O-])C[C@@H](NCc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccccc2)c1 ZINC000426736300 856443079 /nfs/dbraw/zinc/44/30/79/856443079.db2.gz XBTTXQRSTBXZSM-LJQANCHMSA-N -1 1 419.403 4.119 20 0 HIADMM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(OC)ccc2Br)cc1 ZINC000426736554 856444612 /nfs/dbraw/zinc/44/46/12/856444612.db2.gz XZXIYAVFKXWRAD-SFHVURJKSA-N -1 1 408.292 4.162 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000426741718 856446733 /nfs/dbraw/zinc/44/67/33/856446733.db2.gz MOXRMEJGMIFMBN-OAHLLOKOSA-N -1 1 418.209 4.392 20 0 HIADMM O=C([O-])C[C@@H](NCc1ccc(Br)c(F)c1)c1cnn(-c2ccccc2)c1 ZINC000426756424 856460150 /nfs/dbraw/zinc/46/01/50/856460150.db2.gz JXORMXJETOFWMJ-GOSISDBHSA-N -1 1 418.266 4.080 20 0 HIADMM COc1ccc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c(OC)c1OC ZINC000426756193 856460216 /nfs/dbraw/zinc/46/02/16/856460216.db2.gz IOUUERZFPOTKFU-HNNXBMFYSA-N -1 1 414.285 4.325 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(F)c(C(F)(F)F)c2)c1OC ZINC000426798192 856484503 /nfs/dbraw/zinc/48/45/03/856484503.db2.gz INOFTYIMDYUHHR-HNNXBMFYSA-N -1 1 401.356 4.167 20 0 HIADMM O=C([O-])C[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(F)cc1F ZINC000426809120 856490401 /nfs/dbraw/zinc/49/04/01/856490401.db2.gz TVFMUEUIYLLRMR-HNNXBMFYSA-N -1 1 407.310 4.351 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc(F)cc(C(F)(F)F)c2)c1OC ZINC000426817186 856495252 /nfs/dbraw/zinc/49/52/52/856495252.db2.gz NTRZTRJYIPAJFN-HNNXBMFYSA-N -1 1 401.356 4.167 20 0 HIADMM Cc1nn(-c2ccccc2)cc1CN[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000426827670 856501914 /nfs/dbraw/zinc/50/19/14/856501914.db2.gz IZGBIJSELFVAMV-IBGZPJMESA-N -1 1 414.303 4.249 20 0 HIADMM COc1ccc(C(=O)Nc2cccc(CN[C@H](C(=O)[O-])c3cccc(F)c3)c2)cc1 ZINC000426828762 856503572 /nfs/dbraw/zinc/50/35/72/856503572.db2.gz MLOFCZNEDNWKPB-NRFANRHFSA-N -1 1 408.429 4.002 20 0 HIADMM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000426987976 856580455 /nfs/dbraw/zinc/58/04/55/856580455.db2.gz XLUBRWSQMBVFHY-UHFFFAOYSA-N -1 1 410.783 4.265 20 0 HIADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c2ccccc21 ZINC000427088598 856628305 /nfs/dbraw/zinc/62/83/05/856628305.db2.gz UGCBOBAHARYHPU-KSSFIOAISA-N -1 1 404.507 4.453 20 0 HIADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000427192962 856703297 /nfs/dbraw/zinc/70/32/97/856703297.db2.gz LRFSXGMIJOJQBU-WOJBJXKFSA-N -1 1 418.584 4.282 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cccc1-c1ncco1 ZINC000427293045 856755983 /nfs/dbraw/zinc/75/59/83/856755983.db2.gz XCKNNPFJYQFVTI-UHFFFAOYSA-N -1 1 419.462 4.194 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H]4CCCC[C@@H]4C3)cc2)ccc1F ZINC000427361267 856793400 /nfs/dbraw/zinc/79/34/00/856793400.db2.gz DPUOFYQWIABQLG-QZTJIDSGSA-N -1 1 416.518 4.197 20 0 HIADMM C/C(=C\c1ccccc1)CN(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000427539533 856855549 /nfs/dbraw/zinc/85/55/49/856855549.db2.gz IGELGLJSRINDSN-SAPNQHFASA-N -1 1 402.498 4.047 20 0 HIADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(I)c([O-])c1 ZINC000427594589 856881069 /nfs/dbraw/zinc/88/10/69/856881069.db2.gz YSEGHRJKFXSSCB-JLHYYAGUSA-N -1 1 407.251 4.172 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](C)C(F)(F)C2)c1 ZINC000427646089 856895661 /nfs/dbraw/zinc/89/56/61/856895661.db2.gz GZBCGMVOTYMGSY-INIZCTEOSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCS[C@H](C)CC2)c1 ZINC000427920193 857007349 /nfs/dbraw/zinc/00/73/49/857007349.db2.gz AMBWEVJRVIVSLB-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000428054959 857056976 /nfs/dbraw/zinc/05/69/76/857056976.db2.gz PQQPDVDSCYZPFU-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000428536554 857249338 /nfs/dbraw/zinc/24/93/38/857249338.db2.gz JOAIHFMKCIRHBH-KXBFYZLASA-N -1 1 418.946 4.464 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000428700945 857301626 /nfs/dbraw/zinc/30/16/26/857301626.db2.gz NVTUGPHCJCWIRA-OAHLLOKOSA-N -1 1 409.511 4.443 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000428701307 857301689 /nfs/dbraw/zinc/30/16/89/857301689.db2.gz NYZVYBBKRGNCOI-QGZVFWFLSA-N -1 1 407.539 4.454 20 0 HIADMM COc1cc(NC(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000428885220 857389905 /nfs/dbraw/zinc/38/99/05/857389905.db2.gz UDYSWKPNIRHNLF-LJQANCHMSA-N -1 1 419.547 4.284 20 0 HIADMM COc1cc(NC(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000428887200 857391212 /nfs/dbraw/zinc/39/12/12/857391212.db2.gz LYBAAYPFFSXBAG-GOSISDBHSA-N -1 1 423.510 4.115 20 0 HIADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429911414 857942902 /nfs/dbraw/zinc/94/29/02/857942902.db2.gz SQEAGQPLDMJACX-SNVBAGLBSA-N -1 1 408.667 4.358 20 0 HIADMM C[C@H]1CC[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000430454390 858173148 /nfs/dbraw/zinc/17/31/48/858173148.db2.gz KGLOHQFJJSYMNV-BBRMVZONSA-N -1 1 408.470 4.026 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)cc2)cc1 ZINC000430455489 858173713 /nfs/dbraw/zinc/17/37/13/858173713.db2.gz OICMTMFKCQAFAO-APWZRJJASA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000430455824 858173745 /nfs/dbraw/zinc/17/37/45/858173745.db2.gz IRCMVSFBWYGZCR-IFXJQAMLSA-N -1 1 404.507 4.196 20 0 HIADMM COCc1ccsc1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431452679 858623796 /nfs/dbraw/zinc/62/37/96/858623796.db2.gz XTDRNHYTOPOPPV-UHFFFAOYSA-N -1 1 421.110 4.377 20 0 HIADMM COc1csc(C(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC000431452392 858623821 /nfs/dbraw/zinc/62/38/21/858623821.db2.gz WPEXQHVCGJQHOC-UHFFFAOYSA-N -1 1 407.083 4.240 20 0 HIADMM C[C@@H](Oc1ccccc1)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431458120 858626570 /nfs/dbraw/zinc/62/65/70/858626570.db2.gz NXJVANFBYPLVBN-SECBINFHSA-N -1 1 415.081 4.323 20 0 HIADMM COc1cc(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000431689166 858741173 /nfs/dbraw/zinc/74/11/73/858741173.db2.gz GDTKDDLERPBXRF-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM COc1cccc2c1[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)CC2 ZINC000432004290 858918179 /nfs/dbraw/zinc/91/81/79/858918179.db2.gz YVEZKOBVYXLMCJ-FQEVSTJZSA-N -1 1 422.506 4.165 20 0 HIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1C ZINC000432048351 858949411 /nfs/dbraw/zinc/94/94/11/858949411.db2.gz QREQGGNHXGFCOX-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Br)c3)cc21 ZINC000432060551 858958456 /nfs/dbraw/zinc/95/84/56/858958456.db2.gz JMKJPAYUXZAYCX-UHFFFAOYSA-N -1 1 414.712 4.273 20 0 HIADMM O=C(CCc1cncs1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000432062238 858959989 /nfs/dbraw/zinc/95/99/89/858959989.db2.gz MNUGYHQFWKEUMV-UHFFFAOYSA-N -1 1 421.931 4.169 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)sc1Br ZINC000432076025 858971730 /nfs/dbraw/zinc/97/17/30/858971730.db2.gz KPIQZKVXLASAJY-UHFFFAOYSA-N -1 1 420.737 4.402 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1nnc(C(C)(C)C)s1 ZINC000432359694 859120495 /nfs/dbraw/zinc/12/04/95/859120495.db2.gz UAEKCRQKQUKPRR-UHFFFAOYSA-N -1 1 416.572 4.273 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Nc2ccccc2)cc1C(N)=O ZINC000432452355 859169836 /nfs/dbraw/zinc/16/98/36/859169836.db2.gz ADQFBKHJUQVOLU-UHFFFAOYSA-N -1 1 415.902 4.292 20 0 HIADMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3cc(Cl)sc3Cl)cccc21 ZINC000432495005 859193214 /nfs/dbraw/zinc/19/32/14/859193214.db2.gz POQUNUGQUWYZEC-LLVKDONJSA-N -1 1 407.344 4.241 20 0 HIADMM CCCc1c(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cnn1-c1ccc(C)cc1 ZINC000432566479 859230343 /nfs/dbraw/zinc/23/03/43/859230343.db2.gz DRXLSYKMEYZKEO-UHFFFAOYSA-N -1 1 413.481 4.340 20 0 HIADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000432613383 859256160 /nfs/dbraw/zinc/25/61/60/859256160.db2.gz AVLRBTWAQVLZEZ-UHFFFAOYSA-N -1 1 416.396 4.386 20 0 HIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1ccc(Br)o1 ZINC000432619324 859257688 /nfs/dbraw/zinc/25/76/88/859257688.db2.gz QXTUWXYLQAKPQX-GFCCVEGCSA-N -1 1 404.289 4.614 20 0 HIADMM COC(=O)c1c[n-]c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)n1 ZINC000432664676 859280247 /nfs/dbraw/zinc/28/02/47/859280247.db2.gz NWYDIWQXTDJTRY-UHFFFAOYSA-N -1 1 422.919 4.283 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2NC(=O)N(C)C)cc1C(C)C ZINC000432758273 859338020 /nfs/dbraw/zinc/33/80/20/859338020.db2.gz MXTPNGLURUFUMT-UHFFFAOYSA-N -1 1 405.520 4.021 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)cc1 ZINC000432757497 859338088 /nfs/dbraw/zinc/33/80/88/859338088.db2.gz MMGAXLKBRZWIBU-UHFFFAOYSA-N -1 1 413.337 4.103 20 0 HIADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1nc2cc(Cl)cc(Cl)c2o1 ZINC000432843303 859384084 /nfs/dbraw/zinc/38/40/84/859384084.db2.gz ZSGWIHUARDAUBY-LLVKDONJSA-N -1 1 415.302 4.051 20 0 HIADMM CCC[C@@H](NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1)c1nn[n-]n1 ZINC000467643252 881438930 /nfs/dbraw/zinc/43/89/30/881438930.db2.gz HDBVVOQNKLQBSR-MRXNPFEDSA-N -1 1 412.563 4.350 20 0 HIADMM CCC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)C1 ZINC000467659769 881453995 /nfs/dbraw/zinc/45/39/95/881453995.db2.gz QEMUBBASWVMAPC-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000433651064 859825008 /nfs/dbraw/zinc/82/50/08/859825008.db2.gz TWKNZKXFWBEBMN-SFYZADRCSA-N -1 1 404.804 4.117 20 0 HIADMM CSC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCC1 ZINC000433687364 859837766 /nfs/dbraw/zinc/83/77/66/859837766.db2.gz DGAJJXCWEJSWGU-UHFFFAOYSA-N -1 1 424.975 4.156 20 0 HIADMM O=C(NC1CCC2(CC2)CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000434299563 860263015 /nfs/dbraw/zinc/26/30/15/860263015.db2.gz KOZNXPMKPMCSPZ-UHFFFAOYSA-N -1 1 402.491 4.079 20 0 HIADMM Cc1nc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)s1 ZINC000434378392 860322994 /nfs/dbraw/zinc/32/29/94/860322994.db2.gz STMIHXOXVHLTIS-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM CCc1ccc(C(C)(C)NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000434586293 860413532 /nfs/dbraw/zinc/41/35/32/860413532.db2.gz NJOMAOWEVLUGCA-UHFFFAOYSA-N -1 1 404.514 4.099 20 0 HIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cc(F)ccc1Br ZINC000434965120 860578125 /nfs/dbraw/zinc/57/81/25/860578125.db2.gz DCZSZXUJRFXAGW-UHFFFAOYSA-N -1 1 417.275 4.128 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000434972273 860581153 /nfs/dbraw/zinc/58/11/53/860581153.db2.gz FYUCCIMHKNLBBD-NRFANRHFSA-N -1 1 424.570 4.056 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000434972277 860581196 /nfs/dbraw/zinc/58/11/96/860581196.db2.gz FYUCCIMHKNLBBD-OAQYLSRUSA-N -1 1 424.570 4.056 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)ccc1Br ZINC000435226615 860699802 /nfs/dbraw/zinc/69/98/02/860699802.db2.gz PKQRPDZCXBDNLD-ONGXEEELSA-N -1 1 418.250 4.235 20 0 HIADMM O=S(=O)([N-]Cc1nc2ccccc2n1C1CC1)c1c(Cl)cc(F)cc1Cl ZINC000435434499 860798307 /nfs/dbraw/zinc/79/83/07/860798307.db2.gz SMGRMUXZAQYYOA-UHFFFAOYSA-N -1 1 414.289 4.296 20 0 HIADMM O=S(=O)([N-]Cc1ncoc1-c1ccccc1)c1c(Cl)cc(F)cc1Cl ZINC000435436906 860798319 /nfs/dbraw/zinc/79/83/19/860798319.db2.gz IGLPWMCOEXIZAU-UHFFFAOYSA-N -1 1 401.246 4.266 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435437843 860799115 /nfs/dbraw/zinc/79/91/15/860799115.db2.gz MQIZFKLEJIGVJY-BBRMVZONSA-N -1 1 404.290 4.331 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1c(Cl)cc(F)cc1Cl ZINC000435443145 860800707 /nfs/dbraw/zinc/80/07/07/860800707.db2.gz OVEIYCOHEXJGRK-UHFFFAOYSA-N -1 1 400.205 4.212 20 0 HIADMM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)cccc21 ZINC000435475664 860811810 /nfs/dbraw/zinc/81/18/10/860811810.db2.gz WJAKHNGWUVZMPY-HNNXBMFYSA-N -1 1 419.305 4.319 20 0 HIADMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)cccc21 ZINC000435475665 860812116 /nfs/dbraw/zinc/81/21/16/860812116.db2.gz WJAKHNGWUVZMPY-OAHLLOKOSA-N -1 1 419.305 4.319 20 0 HIADMM CCc1ncsc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000438244139 863704112 /nfs/dbraw/zinc/70/41/12/863704112.db2.gz QFOWYIDBRYMYHY-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1(Cc2ccccc2)CC1 ZINC000438375767 863835191 /nfs/dbraw/zinc/83/51/91/863835191.db2.gz KDJVZUVEOCBGCZ-UHFFFAOYSA-N -1 1 420.534 4.127 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1(Cc2ccccc2)CC1 ZINC000438486165 863902515 /nfs/dbraw/zinc/90/25/15/863902515.db2.gz OMHDSGDDLXUEQK-UHFFFAOYSA-N -1 1 406.507 4.449 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC000438762390 864257881 /nfs/dbraw/zinc/25/78/81/864257881.db2.gz WKCULINYXQNRQK-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1NC(=O)c1cccc(F)c1 ZINC000438768654 864264780 /nfs/dbraw/zinc/26/47/80/864264780.db2.gz ZQVXGNJEOCXYRZ-UHFFFAOYSA-N -1 1 416.355 4.323 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1 ZINC000438796366 864288377 /nfs/dbraw/zinc/28/83/77/864288377.db2.gz QVBDQCGWJQBSKP-UHFFFAOYSA-N -1 1 415.540 4.211 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000438796546 864288512 /nfs/dbraw/zinc/28/85/12/864288512.db2.gz YRMWCFHPJQBUEM-UHFFFAOYSA-N -1 1 401.484 4.368 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438800461 864291284 /nfs/dbraw/zinc/29/12/84/864291284.db2.gz GPRNDBNNHMAQBV-UHFFFAOYSA-N -1 1 402.516 4.229 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc2s1 ZINC000438812350 864304457 /nfs/dbraw/zinc/30/44/57/864304457.db2.gz TVKBKGISTJHZDD-UHFFFAOYSA-N -1 1 404.513 4.166 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)c1nc(-c2ccncc2)no1 ZINC000439006480 864460325 /nfs/dbraw/zinc/46/03/25/864460325.db2.gz XBBJFWUWGWLQHH-INIZCTEOSA-N -1 1 420.560 4.166 20 0 HIADMM COc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1OC ZINC000439062227 864512648 /nfs/dbraw/zinc/51/26/48/864512648.db2.gz XCSBQLCQMXKMGV-UHFFFAOYSA-N -1 1 423.425 4.011 20 0 HIADMM Cc1cscc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000439169253 864597842 /nfs/dbraw/zinc/59/78/42/864597842.db2.gz MZNOJSJOIWSUKE-UHFFFAOYSA-N -1 1 408.451 4.388 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)[C@@H](C)C2(C)CC2)c1 ZINC000439230629 864647913 /nfs/dbraw/zinc/64/79/13/864647913.db2.gz BZVZELKGSUAUQF-HNNXBMFYSA-N -1 1 404.507 4.196 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nncs2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000439242992 864659075 /nfs/dbraw/zinc/65/90/75/864659075.db2.gz CKBUNKKSJRCUDQ-UHFFFAOYSA-N -1 1 403.382 4.164 20 0 HIADMM Cc1ccn(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000439406020 864821079 /nfs/dbraw/zinc/82/10/79/864821079.db2.gz DNCQGUOOXZDOMB-UHFFFAOYSA-N -1 1 421.881 4.179 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1F ZINC000467937381 881808689 /nfs/dbraw/zinc/80/86/89/881808689.db2.gz HFSCTBAWTJWHFH-UHFFFAOYSA-N -1 1 401.740 4.446 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(CCC(C)C)cc3)ccc2o1 ZINC000439869052 865177301 /nfs/dbraw/zinc/17/73/01/865177301.db2.gz BTQKLXHDJZEJAP-UHFFFAOYSA-N -1 1 402.516 4.406 20 0 HIADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000440125679 865371243 /nfs/dbraw/zinc/37/12/43/865371243.db2.gz ZVXJDDDPINZKEB-UYZIEWPDSA-N -1 1 406.526 4.235 20 0 HIADMM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000440273488 865523441 /nfs/dbraw/zinc/52/34/41/865523441.db2.gz RUEZNPSTZIYWHH-CYBMUJFWSA-N -1 1 423.738 4.327 20 0 HIADMM Cc1ccc(CC[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])o1 ZINC000440281674 865533882 /nfs/dbraw/zinc/53/38/82/865533882.db2.gz KOQIEBGBJOPCRN-AOMKIAJQSA-N -1 1 420.509 4.189 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C(C)C)ccc2Cl)c(F)cc1F ZINC000440293535 865547210 /nfs/dbraw/zinc/54/72/10/865547210.db2.gz PTWHKPRSBQDPLX-UHFFFAOYSA-N -1 1 416.877 4.208 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000440368321 865652697 /nfs/dbraw/zinc/65/26/97/865652697.db2.gz SCLMQVOVIZNUJF-UPVQGACJSA-N -1 1 418.518 4.330 20 0 HIADMM Cc1noc(C2CCC([N-]S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)n1 ZINC000440377288 865665450 /nfs/dbraw/zinc/66/54/50/865665450.db2.gz HVSVXPYOOYCFDL-UHFFFAOYSA-N -1 1 424.737 4.343 20 0 HIADMM Cc1ccc(NC(=O)CC[C@H]2CC[C@@H](C)O2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000440393231 865686299 /nfs/dbraw/zinc/68/62/99/865686299.db2.gz UTMPJBHXMBVTNA-VQIMIIECSA-N -1 1 402.516 4.082 20 0 HIADMM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000440403578 865696574 /nfs/dbraw/zinc/69/65/74/865696574.db2.gz FRGIXMHAISDGKB-GJZGRUSLSA-N -1 1 406.935 4.401 20 0 HIADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000440405528 865698395 /nfs/dbraw/zinc/69/83/95/865698395.db2.gz NWOSWEJWALTQMO-LSDHHAIUSA-N -1 1 406.935 4.401 20 0 HIADMM CSc1ccc(-c2nsc([N-]C(=O)c3csc(-c4cnn(C)c4)n3)n2)cc1 ZINC000440473131 865776933 /nfs/dbraw/zinc/77/69/33/865776933.db2.gz NAMGIBUORMRVED-UHFFFAOYSA-N -1 1 414.541 4.036 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000440701059 865869399 /nfs/dbraw/zinc/86/93/99/865869399.db2.gz IOXFPFOYOZXZMD-OAHLLOKOSA-N -1 1 424.563 4.196 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cc(C2CC2)no1 ZINC000441553679 866629189 /nfs/dbraw/zinc/62/91/89/866629189.db2.gz TWXNVGIFOBDDID-UHFFFAOYSA-N -1 1 417.874 4.259 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc2c(n1)CCCC2 ZINC000441716938 866818648 /nfs/dbraw/zinc/81/86/48/866818648.db2.gz RNQHOLMGOJTPNG-UHFFFAOYSA-N -1 1 407.495 4.014 20 0 HIADMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000441731014 866824312 /nfs/dbraw/zinc/82/43/12/866824312.db2.gz RUJVAIKCMDSZGN-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000441758964 866838759 /nfs/dbraw/zinc/83/87/59/866838759.db2.gz CITVSLHVNANJSO-UHFFFAOYSA-N -1 1 404.904 4.245 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1 ZINC000442218269 867242444 /nfs/dbraw/zinc/24/24/44/867242444.db2.gz DTIOCZNBPZYESM-NHCUHLMSSA-N -1 1 417.527 4.008 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccc(F)cc1Br ZINC000442231550 867265139 /nfs/dbraw/zinc/26/51/39/867265139.db2.gz AEHARLJTNHCOLX-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)c3cccnc3)ccc2C)c1 ZINC000468202523 882081353 /nfs/dbraw/zinc/08/13/53/882081353.db2.gz SIUPWMGTPOQPOT-QGZVFWFLSA-N -1 1 409.511 4.241 20 0 HIADMM C[C@@H]1COCC[C@@H]1c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000442695827 867631834 /nfs/dbraw/zinc/63/18/34/867631834.db2.gz RCORAJRLANOBIX-BZNIZROVSA-N -1 1 415.396 4.113 20 0 HIADMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc2O1 ZINC000442850020 867697058 /nfs/dbraw/zinc/69/70/58/867697058.db2.gz HWLPVYCFZKZYGO-FQEVSTJZSA-N -1 1 401.488 4.315 20 0 HIADMM Cc1c(=O)[n-]c(S[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 ZINC000442908366 867734476 /nfs/dbraw/zinc/73/44/76/867734476.db2.gz MOFLOEKHSVUYBJ-AWEZNQCLSA-N -1 1 400.525 4.414 20 0 HIADMM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442965858 867768032 /nfs/dbraw/zinc/76/80/32/867768032.db2.gz NAMYQDHBACYSBB-UHFFFAOYSA-N -1 1 411.285 4.199 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc(Cl)c1[O-] ZINC000443044069 867800679 /nfs/dbraw/zinc/80/06/79/867800679.db2.gz BPFKANLKOHRCLV-JTQLQIEISA-N -1 1 405.813 4.043 20 0 HIADMM COc1cc(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc(Cl)c1[O-] ZINC000443048192 867802631 /nfs/dbraw/zinc/80/26/31/867802631.db2.gz JGINKRLTHWAMMP-UHFFFAOYSA-N -1 1 419.692 4.343 20 0 HIADMM COc1cc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc(Cl)c1[O-] ZINC000443060405 867806395 /nfs/dbraw/zinc/80/63/95/867806395.db2.gz PCXRVGSGLZJYJH-NSHDSACASA-N -1 1 404.825 4.354 20 0 HIADMM CCn1c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)nc2cc(Br)ccc21 ZINC000443112697 867824606 /nfs/dbraw/zinc/82/46/06/867824606.db2.gz RSQGFWWOBOHKRA-UHFFFAOYSA-N -1 1 424.682 4.439 20 0 HIADMM COc1cc(C(=O)NCCc2c[nH]c3ccc(Br)cc23)cc(Cl)c1[O-] ZINC000443120153 867828626 /nfs/dbraw/zinc/82/86/26/867828626.db2.gz NOTQGVNDCBSKHS-UHFFFAOYSA-N -1 1 423.694 4.271 20 0 HIADMM COc1cc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc(Cl)c1[O-] ZINC000443288363 867891780 /nfs/dbraw/zinc/89/17/80/867891780.db2.gz YFEGLFLUZKACJP-CYBMUJFWSA-N -1 1 409.313 4.227 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc(Cl)c1[O-] ZINC000443312021 867899256 /nfs/dbraw/zinc/89/92/56/867899256.db2.gz UHWGFRZVBKVKKM-UHFFFAOYSA-N -1 1 402.878 4.179 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1F ZINC000443411727 867995996 /nfs/dbraw/zinc/99/59/96/867995996.db2.gz GRDJZCMNUYUGFQ-UHFFFAOYSA-N -1 1 422.503 4.084 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)c1 ZINC000443415645 868000098 /nfs/dbraw/zinc/00/00/98/868000098.db2.gz LNSCMUVXACIIFD-UHFFFAOYSA-N -1 1 407.797 4.285 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2C)c2ccccc12 ZINC000443423115 868005653 /nfs/dbraw/zinc/00/56/53/868005653.db2.gz PQWFISYNYVJBIC-UHFFFAOYSA-N -1 1 401.484 4.365 20 0 HIADMM COC(=O)Cc1ccc(Oc2ccnc(-c3nc4ccc(C)cc4c(=O)[n-]3)c2)cc1 ZINC000443422623 868005962 /nfs/dbraw/zinc/00/59/62/868005962.db2.gz MFFQCXWPRFISDC-UHFFFAOYSA-N -1 1 401.422 4.214 20 0 HIADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000443458166 868047580 /nfs/dbraw/zinc/04/75/80/868047580.db2.gz VWISXGPHIKZEPX-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000443531290 868089169 /nfs/dbraw/zinc/08/91/69/868089169.db2.gz PYNNCSBZHJKQKU-QGZVFWFLSA-N -1 1 423.538 4.362 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCOC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000443918069 868453612 /nfs/dbraw/zinc/45/36/12/868453612.db2.gz FDQGPLYWNZXMON-KSSFIOAISA-N -1 1 422.934 4.060 20 0 HIADMM COc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)ccc1F ZINC000444318799 868747724 /nfs/dbraw/zinc/74/77/24/868747724.db2.gz OJYVRNHSSYSUQE-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cncnc1-c1ccccc1 ZINC000444342415 868773398 /nfs/dbraw/zinc/77/33/98/868773398.db2.gz OOXXPHAZZULVEE-UHFFFAOYSA-N -1 1 416.481 4.164 20 0 HIADMM CC(C)[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000444357378 868785503 /nfs/dbraw/zinc/78/55/03/868785503.db2.gz HGCAPEZJTFFKLC-INIZCTEOSA-N -1 1 422.497 4.274 20 0 HIADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CCO1 ZINC000444375915 868800081 /nfs/dbraw/zinc/80/00/81/868800081.db2.gz QXGWHYCRTHSRLV-HRAATJIYSA-N -1 1 402.535 4.235 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)nn1[C@@H](C)C1CC1 ZINC000444379019 868800793 /nfs/dbraw/zinc/80/07/93/868800793.db2.gz KXHVYONYTDCGRV-HNNXBMFYSA-N -1 1 410.518 4.183 20 0 HIADMM CCCn1ncc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1C1CC1 ZINC000444384073 868802463 /nfs/dbraw/zinc/80/24/63/868802463.db2.gz RXDQSNGHCLTFOE-UHFFFAOYSA-N -1 1 410.518 4.191 20 0 HIADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(Br)s1 ZINC000444557781 868881499 /nfs/dbraw/zinc/88/14/99/868881499.db2.gz MRVVUOKFEXAXNL-ZETCQYMHSA-N -1 1 405.111 4.470 20 0 HIADMM CC(C)[C@@H](C)N(C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1CC1 ZINC000444718389 868973640 /nfs/dbraw/zinc/97/36/40/868973640.db2.gz OQJCKHSHVRHKHK-QGZVFWFLSA-N -1 1 415.559 4.206 20 0 HIADMM CCCCCc1ccc(NC(=O)N2CCC(c3nc(C(=O)OCC)n[n-]3)CC2)cc1 ZINC000444819650 869029256 /nfs/dbraw/zinc/02/92/56/869029256.db2.gz SSIAKYUTSQHPPT-UHFFFAOYSA-N -1 1 413.522 4.126 20 0 HIADMM COc1cc(-c2noc(-c3coc(Br)c3)n2)cc(Br)c1[O-] ZINC000445396533 869481587 /nfs/dbraw/zinc/48/15/87/869481587.db2.gz XIQHSQLCLXNVSR-UHFFFAOYSA-N -1 1 416.025 4.236 20 0 HIADMM COc1cc(-c2noc(Cc3ccc(C(C)=O)cc3)n2)cc(Br)c1[O-] ZINC000445396160 869481624 /nfs/dbraw/zinc/48/16/24/869481624.db2.gz ZGTVOCZDIHAPJV-UHFFFAOYSA-N -1 1 403.232 4.007 20 0 HIADMM COc1cc(-c2noc(-c3cnn(-c4ccccc4)c3)n2)cc(Br)c1[O-] ZINC000445398484 869483989 /nfs/dbraw/zinc/48/39/89/869483989.db2.gz VMSMHSQUELPLMZ-UHFFFAOYSA-N -1 1 413.231 4.066 20 0 HIADMM COc1cc(-c2noc(C[C@@H]3OCCc4ccccc43)n2)cc(Br)c1[O-] ZINC000445398527 869484560 /nfs/dbraw/zinc/48/45/60/869484560.db2.gz VWWVPJRXBFNMBX-HNNXBMFYSA-N -1 1 417.259 4.070 20 0 HIADMM COc1cc(-c2noc(-c3ccc(OC(C)C)nc3)n2)cc(Br)c1[O-] ZINC000445405750 869490685 /nfs/dbraw/zinc/49/06/85/869490685.db2.gz USUVYFGUSWESPI-UHFFFAOYSA-N -1 1 406.236 4.063 20 0 HIADMM CCOc1cc(-c2noc(-c3cc4c(cc3F)NC(=O)CC4)n2)cc(Cl)c1[O-] ZINC000445414465 869496951 /nfs/dbraw/zinc/49/69/51/869496951.db2.gz XWIYMZGLKHDZFO-UHFFFAOYSA-N -1 1 403.797 4.185 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CC(=O)Nc4cc(F)ccc43)n2)cc(Cl)c1[O-] ZINC000445430425 869514795 /nfs/dbraw/zinc/51/47/95/869514795.db2.gz JICIOQQUDIRECG-LBPRGKRZSA-N -1 1 403.797 4.108 20 0 HIADMM O=C(Nc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1)[C@@H]1Cc2ccccc2O1 ZINC000445458728 869536213 /nfs/dbraw/zinc/53/62/13/869536213.db2.gz VGTGKULCVVIBKU-FQEVSTJZSA-N -1 1 417.396 4.191 20 0 HIADMM Cc1nc2c3ccccc3nn2c(C)c1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445461035 869537143 /nfs/dbraw/zinc/53/71/43/869537143.db2.gz DYAMFOLWDHIABJ-UHFFFAOYSA-N -1 1 403.417 4.179 20 0 HIADMM Cc1ccc(-n2cnnc2SCc2nc(-c3ccc([O-])c(F)c3)no2)cc1Cl ZINC000445477095 869550223 /nfs/dbraw/zinc/55/02/23/869550223.db2.gz ATTFJLIUALSIJD-UHFFFAOYSA-N -1 1 417.853 4.416 20 0 HIADMM O=S(=O)(Nc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1)c1ccccc1 ZINC000445480776 869552662 /nfs/dbraw/zinc/55/26/62/869552662.db2.gz JFZOXSSJADIYRH-UHFFFAOYSA-N -1 1 411.414 4.049 20 0 HIADMM Cc1ccc(NC(=O)C[C@H]2CCCCO2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000445653058 869723332 /nfs/dbraw/zinc/72/33/32/869723332.db2.gz SMWLDPYITLFXKM-GOSISDBHSA-N -1 1 422.934 4.347 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1ccc(C2CC2)cn1 ZINC000445789077 869824988 /nfs/dbraw/zinc/82/49/88/869824988.db2.gz FAPUGMFOIKGXID-UHFFFAOYSA-N -1 1 421.522 4.032 20 0 HIADMM Cc1ocnc1-c1noc(-c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000445810183 869834991 /nfs/dbraw/zinc/83/49/91/869834991.db2.gz JZYMBVNMLAMGGL-UHFFFAOYSA-N -1 1 416.846 4.154 20 0 HIADMM Cc1ccc(NC(=O)Cc2cccc(F)c2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000445851543 869858653 /nfs/dbraw/zinc/85/86/53/869858653.db2.gz GMVVDWCBKZQKNN-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(-c4csc(C)n4)s3)[nH]n2)o1 ZINC000446635060 870541969 /nfs/dbraw/zinc/54/19/69/870541969.db2.gz RMNZZCFPYOMJEE-UHFFFAOYSA-N -1 1 406.514 4.272 20 0 HIADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]c2c(C)c(C)ccc2Cl)c1 ZINC000446945205 870853995 /nfs/dbraw/zinc/85/39/95/870853995.db2.gz CUAQYZPEOOBJDR-UHFFFAOYSA-N -1 1 415.870 4.082 20 0 HIADMM COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ncc(C)cc3[O-])C2)n1 ZINC000447157260 871055087 /nfs/dbraw/zinc/05/50/87/871055087.db2.gz SLBODTUPGKPBHG-OAHLLOKOSA-N -1 1 409.511 4.248 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)ccc1Cl)C(C)C ZINC000447263998 871145217 /nfs/dbraw/zinc/14/52/17/871145217.db2.gz LJUCXMJPIWTKRD-UHFFFAOYSA-N -1 1 412.914 4.459 20 0 HIADMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000447270715 871159244 /nfs/dbraw/zinc/15/92/44/871159244.db2.gz JFXDIUPLNMZUFN-UHFFFAOYSA-N -1 1 413.952 4.313 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccccc2COC)ccc1Cl)C(C)C ZINC000447272709 871161557 /nfs/dbraw/zinc/16/15/57/871161557.db2.gz DGVLBCHWTLMMNO-UHFFFAOYSA-N -1 1 424.950 4.158 20 0 HIADMM CSc1cc2c(cc1[N-]C(=O)c1c(F)ccc(Br)c1F)OCCO2 ZINC000447339274 871234668 /nfs/dbraw/zinc/23/46/68/871234668.db2.gz FTAWFGMEQWIAFE-UHFFFAOYSA-N -1 1 416.243 4.473 20 0 HIADMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000447340860 871238000 /nfs/dbraw/zinc/23/80/00/871238000.db2.gz MHDSMIHKOIWWEW-UHFFFAOYSA-N -1 1 402.903 4.304 20 0 HIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(Cc2ccc(F)cc2)no1 ZINC000447346937 871248216 /nfs/dbraw/zinc/24/82/16/871248216.db2.gz HZLSGTVXUOIPHM-QMMMGPOBSA-N -1 1 400.357 4.167 20 0 HIADMM CC(=O)c1c(C)cc(C)c(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)c1C ZINC000447488942 871370873 /nfs/dbraw/zinc/37/08/73/871370873.db2.gz NQQVAYXTHKPBFC-UHFFFAOYSA-N -1 1 400.475 4.318 20 0 HIADMM CC(=O)c1c(C)cc(C)c(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)c1C ZINC000447488942 871370890 /nfs/dbraw/zinc/37/08/90/871370890.db2.gz NQQVAYXTHKPBFC-UHFFFAOYSA-N -1 1 400.475 4.318 20 0 HIADMM O=S(=O)(Cc1coc(-c2cccc(Cl)c2)n1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447491138 871372210 /nfs/dbraw/zinc/37/22/10/871372210.db2.gz VXMROHCXMZEZEN-UHFFFAOYSA-N -1 1 417.849 4.498 20 0 HIADMM O=S(=O)(Cc1coc(-c2cccc(Cl)c2)n1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447491138 871372227 /nfs/dbraw/zinc/37/22/27/871372227.db2.gz VXMROHCXMZEZEN-UHFFFAOYSA-N -1 1 417.849 4.498 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)c1 ZINC000447545181 871412403 /nfs/dbraw/zinc/41/24/03/871412403.db2.gz WJFIRTCYBJJMSO-UHFFFAOYSA-N -1 1 411.340 4.123 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CCc3ccc(C(C)C)cc3)c2)n1 ZINC000447677787 871608869 /nfs/dbraw/zinc/60/88/69/871608869.db2.gz WFZLLLFHQXGJPA-UHFFFAOYSA-N -1 1 420.513 4.021 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)c(OC(F)F)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447780235 871711751 /nfs/dbraw/zinc/71/17/51/871711751.db2.gz PZCZFUGMBMZLQS-UHFFFAOYSA-N -1 1 417.739 4.483 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447788389 871721690 /nfs/dbraw/zinc/72/16/90/871721690.db2.gz QONPLIDZCLRYJL-UHFFFAOYSA-N -1 1 424.400 4.202 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447796924 871735748 /nfs/dbraw/zinc/73/57/48/871735748.db2.gz ZIIKPGKGLUGFRE-UHFFFAOYSA-N -1 1 421.412 4.198 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2noc(-c3ccccc3)c2Br)c(C)c1 ZINC000448538522 872540924 /nfs/dbraw/zinc/54/09/24/872540924.db2.gz PHEJYVLCGHBXSG-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM COc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000460130290 872612565 /nfs/dbraw/zinc/61/25/65/872612565.db2.gz VEHKHRBPYFOPJA-YOEHRIQHSA-N -1 1 400.233 4.107 20 0 HIADMM COc1cc(C(=O)NCc2csc(CCc3ccccc3)n2)cc(Cl)c1[O-] ZINC000460133028 872619817 /nfs/dbraw/zinc/61/98/17/872619817.db2.gz IGDDDXFLRFGYGL-UHFFFAOYSA-N -1 1 402.903 4.226 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C(F)(F)F)c1 ZINC000460442063 873110402 /nfs/dbraw/zinc/11/04/02/873110402.db2.gz HNKAZFUJBFUMMT-UHFFFAOYSA-N -1 1 404.385 4.221 20 0 HIADMM CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000460443298 873111802 /nfs/dbraw/zinc/11/18/02/873111802.db2.gz KKFZUSYFOHNASZ-OAHLLOKOSA-N -1 1 407.495 4.480 20 0 HIADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc(Br)c3)cc2)n[nH]1 ZINC000468605990 882708969 /nfs/dbraw/zinc/70/89/69/882708969.db2.gz DUWCPALPKMFKNO-UHFFFAOYSA-N -1 1 408.277 4.074 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc(C)c1F ZINC000460826031 873710307 /nfs/dbraw/zinc/71/03/07/873710307.db2.gz BISBARCJCAIKFX-UHFFFAOYSA-N -1 1 404.507 4.306 20 0 HIADMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1)C1CC1 ZINC000460827670 873713486 /nfs/dbraw/zinc/71/34/86/873713486.db2.gz LBPCABDPUFUTMV-UHFFFAOYSA-N -1 1 400.544 4.296 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc(C(C)C)o3)cc2)cc1 ZINC000460829021 873715345 /nfs/dbraw/zinc/71/53/45/873715345.db2.gz GUACVHWIGKJOQB-UHFFFAOYSA-N -1 1 413.499 4.249 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccccc1Sc1ccccc1 ZINC000461041534 873901481 /nfs/dbraw/zinc/90/14/81/873901481.db2.gz JPNVMXRNYVAJTR-UHFFFAOYSA-N -1 1 404.495 4.133 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4c3cccc4F)cc2)c1C ZINC000461062431 873943091 /nfs/dbraw/zinc/94/30/91/873943091.db2.gz UGYBPYBZLSMSNT-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461106073 874027266 /nfs/dbraw/zinc/02/72/66/874027266.db2.gz GGPQCJPICGHYAB-HSZRJFAPSA-N -1 1 417.883 4.100 20 0 HIADMM O=S(=O)(CCc1ccccc1Br)[N-]c1ccccc1C(F)(F)F ZINC000461110178 874031997 /nfs/dbraw/zinc/03/19/97/874031997.db2.gz GTQPPAJVNIACJX-UHFFFAOYSA-N -1 1 408.239 4.452 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000461118308 874043653 /nfs/dbraw/zinc/04/36/53/874043653.db2.gz IJZRCYBZMYTBQY-UHFFFAOYSA-N -1 1 415.964 4.059 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCC2(C1)CCCCC2 ZINC000461137763 874078483 /nfs/dbraw/zinc/07/84/83/874078483.db2.gz BVDYYHQEPJJCQX-UHFFFAOYSA-N -1 1 416.518 4.423 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1CC(F)(F)F ZINC000461256832 874262439 /nfs/dbraw/zinc/26/24/39/874262439.db2.gz PLJMTOBJUKFRAM-UHFFFAOYSA-N -1 1 416.403 4.229 20 0 HIADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000461359661 874361954 /nfs/dbraw/zinc/36/19/54/874361954.db2.gz CBCVQCDAVZZFSK-UHFFFAOYSA-N -1 1 410.449 4.264 20 0 HIADMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000461361058 874362865 /nfs/dbraw/zinc/36/28/65/874362865.db2.gz MRNXVLXEUQILRC-OAQYLSRUSA-N -1 1 418.541 4.273 20 0 HIADMM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000461384945 874392295 /nfs/dbraw/zinc/39/22/95/874392295.db2.gz IEHBJOOKZCEOOS-NRFANRHFSA-N -1 1 418.541 4.273 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000461435703 874487857 /nfs/dbraw/zinc/48/78/57/874487857.db2.gz KDCMREMLKWWOBB-WMHILYHISA-N -1 1 422.916 4.262 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000461487054 874549849 /nfs/dbraw/zinc/54/98/49/874549849.db2.gz GUQCWLQFUUPGLC-IIBYNOLFSA-N -1 1 416.518 4.340 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000461488672 874552971 /nfs/dbraw/zinc/55/29/71/874552971.db2.gz LOUVKXXKNJAGHT-UZLBHIALSA-N -1 1 416.518 4.340 20 0 HIADMM CCCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000461620108 874772474 /nfs/dbraw/zinc/77/24/74/874772474.db2.gz VAMDPMJQIPMNQY-MRXNPFEDSA-N -1 1 404.532 4.147 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000462461942 875567980 /nfs/dbraw/zinc/56/79/80/875567980.db2.gz ZMFVOCQFBLSLJC-IUCAKERBSA-N -1 1 406.289 4.218 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)s1 ZINC000462520524 875638134 /nfs/dbraw/zinc/63/81/34/875638134.db2.gz JBWHKVHJYMMQAK-UHFFFAOYSA-N -1 1 414.268 4.316 20 0 HIADMM COc1cc([C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc(OC)c1OC ZINC000462793554 875844648 /nfs/dbraw/zinc/84/46/48/875844648.db2.gz QXRNMIWBPQGZJY-AWEZNQCLSA-N -1 1 410.474 4.060 20 0 HIADMM O=c1[n-]c(Oc2ccc(Br)c(F)c2)nc2c1cnn2-c1ccccc1 ZINC000462829892 875864423 /nfs/dbraw/zinc/86/44/23/875864423.db2.gz OXPQAJBOUBRKRL-UHFFFAOYSA-N -1 1 401.195 4.215 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1SCCc2ccccc21 ZINC000463376274 876431290 /nfs/dbraw/zinc/43/12/90/876431290.db2.gz PHFIDGUHLIMVBM-OAQYLSRUSA-N -1 1 424.547 4.457 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCC3CCOCC3)ccc2C)c1 ZINC000463450894 876509890 /nfs/dbraw/zinc/50/98/90/876509890.db2.gz MNDNLFQBTJVTBC-UHFFFAOYSA-N -1 1 416.543 4.250 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)cc1Cl ZINC000463526560 876596358 /nfs/dbraw/zinc/59/63/58/876596358.db2.gz MGIJDVXZGUUGFZ-UHFFFAOYSA-N -1 1 412.964 4.391 20 0 HIADMM O=S(=O)([N-]CC1(c2cccc(Cl)c2)CCOCC1)c1c(F)cccc1Cl ZINC000463670560 876793160 /nfs/dbraw/zinc/79/31/60/876793160.db2.gz AACAIEVLKZLDHH-UHFFFAOYSA-N -1 1 418.317 4.159 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3cccc(C4CCC4)c3)c2)n1 ZINC000463830558 876947774 /nfs/dbraw/zinc/94/77/74/876947774.db2.gz LUVBJOWYJYOGND-UHFFFAOYSA-N -1 1 419.485 4.238 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCc3c2cccc3-c2ccccc2)c(=O)[n-]1 ZINC000463893863 877016986 /nfs/dbraw/zinc/01/69/86/877016986.db2.gz BWEMZNXAYMPPPZ-UHFFFAOYSA-N -1 1 405.523 4.401 20 0 HIADMM CC[C@H](C)C[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000463912822 877033622 /nfs/dbraw/zinc/03/36/22/877033622.db2.gz BSRDSZOOKRGYDH-HOTGVXAUSA-N -1 1 406.523 4.110 20 0 HIADMM O=C(Nc1ccc(F)cc1F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469022240 883089632 /nfs/dbraw/zinc/08/96/32/883089632.db2.gz SIHQTQZWGIBGFQ-UHFFFAOYSA-N -1 1 413.605 4.475 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000464216976 877387109 /nfs/dbraw/zinc/38/71/09/877387109.db2.gz RNXVFRJNGYZJHV-NRFANRHFSA-N -1 1 419.550 4.471 20 0 HIADMM C[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@@H]1c1ccccc1 ZINC000464558828 877777031 /nfs/dbraw/zinc/77/70/31/877777031.db2.gz HLVBRMOANQPKJS-JTSKRJEESA-N -1 1 406.507 4.321 20 0 HIADMM Cc1cccc([C@@H]2CCCCN2C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1C ZINC000464587335 877812523 /nfs/dbraw/zinc/81/25/23/877812523.db2.gz NNDVVEFCBGFVKX-QFIPXVFZSA-N -1 1 416.525 4.466 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000464593482 877820005 /nfs/dbraw/zinc/82/00/05/877820005.db2.gz OJZHXYGQMHBZPC-JOCHJYFZSA-N -1 1 400.544 4.448 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)C1 ZINC000464599470 877827042 /nfs/dbraw/zinc/82/70/42/877827042.db2.gz BMPNNEBCRHSTMF-QFIPXVFZSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000464602869 877831976 /nfs/dbraw/zinc/83/19/76/877831976.db2.gz STNTWTKEXKFDQT-NRFANRHFSA-N -1 1 404.507 4.279 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000464709732 877932508 /nfs/dbraw/zinc/93/25/08/877932508.db2.gz MGSVIDQALQHNSR-HNNXBMFYSA-N -1 1 424.563 4.196 20 0 HIADMM CCOc1cc(C)ccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000464994128 878347014 /nfs/dbraw/zinc/34/70/14/878347014.db2.gz ALWPASGVKKFYGK-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM CCO[C@@H](CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1=CCCC1 ZINC000465034588 878397438 /nfs/dbraw/zinc/39/74/38/878397438.db2.gz KHCIBVYUMDDTJJ-NRFANRHFSA-N -1 1 414.527 4.331 20 0 HIADMM CCCc1nnc([N-]C(=O)c2c(C)onc2-c2cccc(Br)c2)s1 ZINC000503377529 912360998 /nfs/dbraw/zinc/36/09/98/912360998.db2.gz MEUUMJVFHTZEQN-UHFFFAOYSA-N -1 1 407.293 4.469 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000465291596 878729995 /nfs/dbraw/zinc/72/99/95/878729995.db2.gz ORPYFOXHCMSYNL-CJNGLKHVSA-N -1 1 408.470 4.026 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000465291698 878730079 /nfs/dbraw/zinc/73/00/79/878730079.db2.gz ORPYFOXHCMSYNL-XJKSGUPXSA-N -1 1 408.470 4.026 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H]3CC)cc2)cc1 ZINC000465299057 878742005 /nfs/dbraw/zinc/74/20/05/878742005.db2.gz SBBFTKQOFPEXFP-QFBILLFUSA-N -1 1 416.543 4.147 20 0 HIADMM CC(C)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000465301873 878747025 /nfs/dbraw/zinc/74/70/25/878747025.db2.gz CQHZXAUVBUIPNZ-MRXNPFEDSA-N -1 1 404.507 4.135 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](CC(C)C)C3)c2)cc1F ZINC000465309816 878754802 /nfs/dbraw/zinc/75/48/02/878754802.db2.gz XNNNHIDYCKKHKO-QGZVFWFLSA-N -1 1 418.534 4.443 20 0 HIADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000465313661 878757315 /nfs/dbraw/zinc/75/73/15/878757315.db2.gz FXXZZASZHRKFTE-INIZCTEOSA-N -1 1 404.507 4.135 20 0 HIADMM COc1cc(NC(=O)c2cccc(NCC(C)(C)C)c2C)ccc1[N-]S(C)(=O)=O ZINC000465399733 878836409 /nfs/dbraw/zinc/83/64/09/878836409.db2.gz HEIIGQUIFPRKMF-UHFFFAOYSA-N -1 1 419.547 4.085 20 0 HIADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(I)ccc1Cl ZINC000466284781 880028334 /nfs/dbraw/zinc/02/83/34/880028334.db2.gz CIAOBGZIXLMSML-UHFFFAOYSA-N -1 1 413.689 4.115 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(-c4ccccc4OC)c3)cc2oc1=O ZINC000466961107 880747616 /nfs/dbraw/zinc/74/76/16/880747616.db2.gz GKIDUDRMXFZQFD-UHFFFAOYSA-N -1 1 424.478 4.091 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(C)c(Cl)c3)cc2oc1=O ZINC000466961296 880749490 /nfs/dbraw/zinc/74/94/90/880749490.db2.gz IMFMPVQHNKROQY-UHFFFAOYSA-N -1 1 401.271 4.030 20 0 HIADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000466970158 880769962 /nfs/dbraw/zinc/76/99/62/880769962.db2.gz XDXQWPHWAPKSGS-INIZCTEOSA-N -1 1 407.507 4.167 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC000467031733 880830127 /nfs/dbraw/zinc/83/01/27/880830127.db2.gz JVQGMZRYIHAZCC-UHFFFAOYSA-N -1 1 408.907 4.193 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1C ZINC000467077661 880851885 /nfs/dbraw/zinc/85/18/85/880851885.db2.gz CQPAYVYDQIDXAC-UHFFFAOYSA-N -1 1 413.923 4.011 20 0 HIADMM Cc1ccccc1CCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467204236 880934290 /nfs/dbraw/zinc/93/42/90/880934290.db2.gz XULIJBPBOUGOIQ-QGZVFWFLSA-N -1 1 407.539 4.306 20 0 HIADMM CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467210741 880940800 /nfs/dbraw/zinc/94/08/00/880940800.db2.gz HJNKVRAPUHOBJI-HNNXBMFYSA-N -1 1 407.495 4.480 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CNc2ccccc2)cc1 ZINC000467500349 881316522 /nfs/dbraw/zinc/31/65/22/881316522.db2.gz CXYYXTFVNXRTMV-SFHVURJKSA-N -1 1 423.538 4.026 20 0 HIADMM COc1cc(C(=O)Nc2ccc(CN(C)C)c(Br)c2)cc(Cl)c1[O-] ZINC000469499208 883743787 /nfs/dbraw/zinc/74/37/87/883743787.db2.gz HDZUMPOJHSIYBI-UHFFFAOYSA-N -1 1 413.699 4.131 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)c2)cc1 ZINC000469926062 884119262 /nfs/dbraw/zinc/11/92/62/884119262.db2.gz GYIYPPLNMCJNRL-KRWDZBQOSA-N -1 1 414.449 4.113 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000470224953 884551708 /nfs/dbraw/zinc/55/17/08/884551708.db2.gz ZOEQQAIJHKQQDN-UHFFFAOYSA-N -1 1 416.403 4.451 20 0 HIADMM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000470250633 884584561 /nfs/dbraw/zinc/58/45/61/884584561.db2.gz NYUXJMDHFBPVSJ-GOSISDBHSA-N -1 1 417.575 4.447 20 0 HIADMM CCCc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000503910081 912861974 /nfs/dbraw/zinc/86/19/74/912861974.db2.gz MEYFAQVISMPPBZ-UHFFFAOYSA-N -1 1 419.503 4.288 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3cnn(CC)c3c2)cc1Br ZINC000470440996 884839138 /nfs/dbraw/zinc/83/91/38/884839138.db2.gz QNRUKMVEGDYJNO-UHFFFAOYSA-N -1 1 424.320 4.018 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1cccc(CSc2ccccn2)c1 ZINC000470448855 884844831 /nfs/dbraw/zinc/84/48/31/884844831.db2.gz BISMMQYLXFXPIB-UHFFFAOYSA-N -1 1 424.551 4.478 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1Br ZINC000470448234 884845288 /nfs/dbraw/zinc/84/52/88/884845288.db2.gz MZDUIPWTKKCEBU-UHFFFAOYSA-N -1 1 423.288 4.304 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)cc1OC ZINC000504045067 912952113 /nfs/dbraw/zinc/95/21/13/912952113.db2.gz VGQTYHDJYDIDFC-UHFFFAOYSA-N -1 1 407.822 4.068 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)c(Cl)cc1F ZINC000471124906 885663233 /nfs/dbraw/zinc/66/32/33/885663233.db2.gz ZZXRMOYVRJNNKC-UHFFFAOYSA-N -1 1 413.898 4.455 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3C)cc21 ZINC000471125494 885663278 /nfs/dbraw/zinc/66/32/78/885663278.db2.gz QYRVGCBEDYARGQ-UHFFFAOYSA-N -1 1 412.433 4.114 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3C)cc2C[C@H]1C ZINC000471135805 885676916 /nfs/dbraw/zinc/67/69/16/885676916.db2.gz FFGWIONGQWBFGJ-LLVKDONJSA-N -1 1 412.433 4.112 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1coc(C2CCCC2)n1 ZINC000471399611 886049712 /nfs/dbraw/zinc/04/97/12/886049712.db2.gz QETBAKQWQCZFSK-UHFFFAOYSA-N -1 1 411.483 4.385 20 0 HIADMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1)C(F)(F)F ZINC000471426669 886082489 /nfs/dbraw/zinc/08/24/89/886082489.db2.gz KEIHOQSEUDAHAF-INIZCTEOSA-N -1 1 418.412 4.006 20 0 HIADMM CCC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000471490845 886189068 /nfs/dbraw/zinc/18/90/68/886189068.db2.gz AMOBFXRTBSLUJZ-UHFFFAOYSA-N -1 1 408.479 4.332 20 0 HIADMM Cc1cccc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1F ZINC000471698663 886406517 /nfs/dbraw/zinc/40/65/17/886406517.db2.gz WTOQJPPTIBDRSW-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CC3(C)C)cc2)cc1 ZINC000471713986 886424049 /nfs/dbraw/zinc/42/40/49/886424049.db2.gz HYYZDXUSISCGHP-MRXNPFEDSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1nc2c(cccc2C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000471747079 886475536 /nfs/dbraw/zinc/47/55/36/886475536.db2.gz GJOZSMDEPLCAHU-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM Cc1nc2ccc(C(=O)Nc3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2o1 ZINC000471748872 886478119 /nfs/dbraw/zinc/47/81/19/886478119.db2.gz JHJAUDMIZDYCRU-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000471908598 886691286 /nfs/dbraw/zinc/69/12/86/886691286.db2.gz CGHOAQLHOICCKO-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000472002274 886827255 /nfs/dbraw/zinc/82/72/55/886827255.db2.gz LJHOQZVPAOKKSA-UHFFFAOYSA-N -1 1 400.544 4.472 20 0 HIADMM COCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000472005787 886830459 /nfs/dbraw/zinc/83/04/59/886830459.db2.gz CGQBOPRHVMSPHI-UHFFFAOYSA-N -1 1 418.453 4.113 20 0 HIADMM CC(=O)CC(C)(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000472645958 887510653 /nfs/dbraw/zinc/51/06/53/887510653.db2.gz BDZJPYYQFZRIOE-UHFFFAOYSA-N -1 1 422.934 4.475 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3(C4CCCCC4)CCCCC3)CC2)n1 ZINC000473234211 888004686 /nfs/dbraw/zinc/00/46/86/888004686.db2.gz LRVDGEIFFYHSJN-UHFFFAOYSA-N -1 1 416.566 4.218 20 0 HIADMM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473400036 888113822 /nfs/dbraw/zinc/11/38/22/888113822.db2.gz VRFNRRPDGJYRHU-UHFFFAOYSA-N -1 1 419.305 4.078 20 0 HIADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)c1 ZINC000473408602 888128287 /nfs/dbraw/zinc/12/82/87/888128287.db2.gz PSELFWHQPNQDAB-UHFFFAOYSA-N -1 1 414.483 4.244 20 0 HIADMM CC1CC(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)C1 ZINC000473459208 888183202 /nfs/dbraw/zinc/18/32/02/888183202.db2.gz GRFOXSLLFKGENZ-UHFFFAOYSA-N -1 1 412.433 4.035 20 0 HIADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000473478910 888202276 /nfs/dbraw/zinc/20/22/76/888202276.db2.gz AUGIRFWHRDUCAJ-UHFFFAOYSA-N -1 1 415.433 4.467 20 0 HIADMM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1ccc(Cl)c(F)c1Cl ZINC000473942535 888819382 /nfs/dbraw/zinc/81/93/82/888819382.db2.gz YLBKOJOQCMGDDX-UHFFFAOYSA-N -1 1 400.262 4.001 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473944819 888820377 /nfs/dbraw/zinc/82/03/77/888820377.db2.gz MROJKCVVTDRUCU-JSGCOSHPSA-N -1 1 404.290 4.331 20 0 HIADMM O=C([O-])CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000504507829 913298383 /nfs/dbraw/zinc/29/83/83/913298383.db2.gz NVQLKLOYEYDWDK-UHFFFAOYSA-N -1 1 423.796 4.013 20 0 HIADMM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000474295072 889159576 /nfs/dbraw/zinc/15/95/76/889159576.db2.gz BHNRNBMUFMSNJF-HNNXBMFYSA-N -1 1 416.953 4.006 20 0 HIADMM CCCn1ccc2cc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)ccc21 ZINC000504539367 913319302 /nfs/dbraw/zinc/31/93/02/913319302.db2.gz CQUXTUIRYSXJCN-UHFFFAOYSA-N -1 1 415.497 4.489 20 0 HIADMM CCOC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCCC1 ZINC000504547886 913325207 /nfs/dbraw/zinc/32/52/07/913325207.db2.gz NNOORDNFZWVDJY-UHFFFAOYSA-N -1 1 422.934 4.429 20 0 HIADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000474407783 889274451 /nfs/dbraw/zinc/27/44/51/889274451.db2.gz CWPLBRQSOXOIGZ-QFBILLFUSA-N -1 1 402.516 4.021 20 0 HIADMM CCCN(Cc1ccccc1Br)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000474502576 889365021 /nfs/dbraw/zinc/36/50/21/889365021.db2.gz ZBLZPKXKVVJPEU-UHFFFAOYSA-N -1 1 410.337 4.027 20 0 HIADMM Cc1cc(F)cc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000474537690 889412507 /nfs/dbraw/zinc/41/25/07/889412507.db2.gz GPWDSRMWGNAYCW-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000474552267 889429579 /nfs/dbraw/zinc/42/95/79/889429579.db2.gz GKQMLKCMWIBVGD-HNNXBMFYSA-N -1 1 420.513 4.253 20 0 HIADMM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000474585399 889456570 /nfs/dbraw/zinc/45/65/70/889456570.db2.gz LZFIWDFBQWCBHH-GFCCVEGCSA-N -1 1 400.331 4.270 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc(C3CCOCC3)no2)cc1 ZINC000504606822 913361105 /nfs/dbraw/zinc/36/11/05/913361105.db2.gz NFHAYELIOANYDN-UHFFFAOYSA-N -1 1 419.890 4.085 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474876176 889730304 /nfs/dbraw/zinc/73/03/04/889730304.db2.gz CXRAFYRJVQOQDK-GOEBONIOSA-N -1 1 424.932 4.399 20 0 HIADMM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000504622543 913376572 /nfs/dbraw/zinc/37/65/72/913376572.db2.gz TVVOZBVELPZRQL-UHFFFAOYSA-N -1 1 400.533 4.135 20 0 HIADMM C[C@H]1CC[C@H](CNC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000475303828 890212211 /nfs/dbraw/zinc/21/22/11/890212211.db2.gz ONFNIBPRAHPGLS-ROUUACIJSA-N -1 1 415.559 4.065 20 0 HIADMM CC1CCC(C)(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000504699385 913432979 /nfs/dbraw/zinc/43/29/79/913432979.db2.gz UCGHIAFUNLRAQG-UHFFFAOYSA-N -1 1 418.534 4.254 20 0 HIADMM COc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000475390024 890316346 /nfs/dbraw/zinc/31/63/46/890316346.db2.gz MSBHWRVPZZDGJG-IBGZPJMESA-N -1 1 417.531 4.134 20 0 HIADMM O=C(N[C@H]1CCCOc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000504742995 913481478 /nfs/dbraw/zinc/48/14/78/913481478.db2.gz ZCDZESGIRKPAEA-NRFANRHFSA-N -1 1 422.506 4.131 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)c(Br)c1 ZINC000475799911 890735868 /nfs/dbraw/zinc/73/58/68/890735868.db2.gz UOCGJOCIYHXNTH-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(-c4cccnc4)ccc3C)cc2C[C@H]1C ZINC000475823511 890758397 /nfs/dbraw/zinc/75/83/97/890758397.db2.gz DBANRYBHLWYHSK-MRXNPFEDSA-N -1 1 421.522 4.155 20 0 HIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)c1 ZINC000475827363 890761280 /nfs/dbraw/zinc/76/12/80/890761280.db2.gz CEYYYBIIBZQNHW-UHFFFAOYSA-N -1 1 416.282 4.174 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC3CCC(=O)CC3)ccc2C)c1 ZINC000476032371 890965201 /nfs/dbraw/zinc/96/52/01/890965201.db2.gz LJLRDBGUPGTHSJ-UHFFFAOYSA-N -1 1 414.527 4.192 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000476253639 891176893 /nfs/dbraw/zinc/17/68/93/891176893.db2.gz RUOOQADJPWRPJM-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000476276961 891197164 /nfs/dbraw/zinc/19/71/64/891197164.db2.gz KETLFBRBEJHWOH-UHFFFAOYSA-N -1 1 418.469 4.059 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 ZINC000476383068 891299025 /nfs/dbraw/zinc/29/90/25/891299025.db2.gz ZLTYTIMJZWCHQR-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)cc1C ZINC000476385453 891299975 /nfs/dbraw/zinc/29/99/75/891299975.db2.gz JIYKQKZTTNMMLC-UHFFFAOYSA-N -1 1 417.462 4.179 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2C)cc1 ZINC000476416598 891329155 /nfs/dbraw/zinc/32/91/55/891329155.db2.gz TWEWCEMMXUYONN-UHFFFAOYSA-N -1 1 424.522 4.358 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)cc1 ZINC000476420379 891334303 /nfs/dbraw/zinc/33/43/03/891334303.db2.gz VTWNEFLYYXYLSW-UHFFFAOYSA-N -1 1 412.964 4.345 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)c(C)c1 ZINC000476431945 891343713 /nfs/dbraw/zinc/34/37/13/891343713.db2.gz KFPSKFXFVQKWTF-UHFFFAOYSA-N -1 1 417.462 4.261 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(Cc4ccccn4)no3)ccc2C)c1 ZINC000504828676 913548432 /nfs/dbraw/zinc/54/84/32/913548432.db2.gz OZYQYXJILDIMBO-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@H](C)[C@@H]3C)c2)cc1 ZINC000476571632 891492681 /nfs/dbraw/zinc/49/26/81/891492681.db2.gz KKYGKMZSLPIBJY-IKGGRYGDSA-N -1 1 416.543 4.003 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccsc1 ZINC000476626574 891560926 /nfs/dbraw/zinc/56/09/26/891560926.db2.gz HPHDUFGHPSGNRU-UHFFFAOYSA-N -1 1 405.476 4.010 20 0 HIADMM COC(=O)CCc1nnc([N-]C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)s1 ZINC000476755682 891727338 /nfs/dbraw/zinc/72/73/38/891727338.db2.gz NFYFXSOGOQRFSW-UHFFFAOYSA-N -1 1 423.903 4.294 20 0 HIADMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)no1 ZINC000477124789 892055026 /nfs/dbraw/zinc/05/50/26/892055026.db2.gz FUCWARKYNZGQEZ-UHFFFAOYSA-N -1 1 419.915 4.392 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000504895117 913624884 /nfs/dbraw/zinc/62/48/84/913624884.db2.gz MJCGOAWOPFIRMP-LLVKDONJSA-N -1 1 421.328 4.039 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c2ccccc12 ZINC000477244838 892195758 /nfs/dbraw/zinc/19/57/58/892195758.db2.gz VFXSGMMEUCWOHQ-UHFFFAOYSA-N -1 1 420.437 4.243 20 0 HIADMM O=C(COC/C=C/c1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000477332381 892300663 /nfs/dbraw/zinc/30/06/63/892300663.db2.gz QFBPSHVZMCMBMC-DHZHZOJOSA-N -1 1 422.506 4.156 20 0 HIADMM CCC1(C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000504914057 913648729 /nfs/dbraw/zinc/64/87/29/913648729.db2.gz KBEIYTWBEPGTPJ-UHFFFAOYSA-N -1 1 404.507 4.279 20 0 HIADMM Cn1[n-]cc2c(=O)c(C(=O)Nc3ccc(-c4csc(C(F)(F)F)n4)cc3)cnc1-2 ZINC000477667833 892803183 /nfs/dbraw/zinc/80/31/83/892803183.db2.gz AQBFSKXXSKNMOG-UHFFFAOYSA-N -1 1 419.388 4.069 20 0 HIADMM Cc1nc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)sc1C ZINC000477762286 892850924 /nfs/dbraw/zinc/85/09/24/892850924.db2.gz GMTXCYJUPCAIQU-UHFFFAOYSA-N -1 1 401.557 4.193 20 0 HIADMM CC(=O)N(c1nc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cs1)c1ccc(C)cc1 ZINC000477827110 892890873 /nfs/dbraw/zinc/89/08/73/892890873.db2.gz UHGXUQIZDVADGN-AHRSYUTCSA-N -1 1 413.543 4.354 20 0 HIADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000477832045 892894546 /nfs/dbraw/zinc/89/45/46/892894546.db2.gz CHWJIWQCPORZHV-NYVOZVTQSA-N -1 1 416.537 4.205 20 0 HIADMM Cc1ccncc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000477885712 892951604 /nfs/dbraw/zinc/95/16/04/892951604.db2.gz CKHPDGQOWHPHJK-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM COc1ccc(N(CCC(C)C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000477908375 892982743 /nfs/dbraw/zinc/98/27/43/892982743.db2.gz XEILJTFIKKZEJC-UHFFFAOYSA-N -1 1 403.548 4.233 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000504978391 913721114 /nfs/dbraw/zinc/72/11/14/913721114.db2.gz DETIJGNHBNLLKQ-UHFFFAOYSA-N -1 1 413.948 4.246 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000504980788 913723763 /nfs/dbraw/zinc/72/37/63/913723763.db2.gz YXRGRLOBOBWZAD-UHFFFAOYSA-N -1 1 411.570 4.006 20 0 HIADMM C[C@H](CN(C)C(=O)c1cc(F)ccc1Sc1ccc(Cl)cc1)c1nn[n-]n1 ZINC000478092630 893256666 /nfs/dbraw/zinc/25/66/66/893256666.db2.gz QYAVNFUXLQSYRF-LLVKDONJSA-N -1 1 405.886 4.019 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@@H]1CCC(C)(C)C1 ZINC000478203362 893365736 /nfs/dbraw/zinc/36/57/36/893365736.db2.gz VUZOBUGVKACHGN-GOSISDBHSA-N -1 1 404.507 4.277 20 0 HIADMM CC[C@H](C)c1ncc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cn1 ZINC000478321262 893551006 /nfs/dbraw/zinc/55/10/06/893551006.db2.gz VMUPVULQNVFMEV-HNNXBMFYSA-N -1 1 410.499 4.043 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478415854 893706068 /nfs/dbraw/zinc/70/60/68/893706068.db2.gz YACREAWDCMTNNQ-UHFFFAOYSA-N -1 1 409.433 4.161 20 0 HIADMM CCCCCOCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000478487524 893808497 /nfs/dbraw/zinc/80/84/97/893808497.db2.gz PJNFFRCDYYCYCX-UHFFFAOYSA-N -1 1 410.923 4.286 20 0 HIADMM CCOc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000478490162 893810420 /nfs/dbraw/zinc/81/04/20/893810420.db2.gz WXSGQENFRSZGIK-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccnc2ccccc21 ZINC000478508215 893819588 /nfs/dbraw/zinc/81/95/88/893819588.db2.gz YWFLKBXAYKCMIZ-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000478528608 893832642 /nfs/dbraw/zinc/83/26/42/893832642.db2.gz KCYUZJSMFIEHIQ-QGZVFWFLSA-N -1 1 410.495 4.202 20 0 HIADMM COc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)cc1C ZINC000478579155 893857893 /nfs/dbraw/zinc/85/78/93/893857893.db2.gz GUGWNKAECBCKPL-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM C[C@H](CN(C)C(=O)c1oc2ccccc2c1CSC1CCCCC1)c1nn[n-]n1 ZINC000478600355 893867866 /nfs/dbraw/zinc/86/78/66/893867866.db2.gz SUBDZARGGYREKS-CQSZACIVSA-N -1 1 413.547 4.388 20 0 HIADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000478854904 894135195 /nfs/dbraw/zinc/13/51/95/894135195.db2.gz LIBORVVTRAPJEQ-PMVMPFDFSA-N -1 1 406.526 4.177 20 0 HIADMM CSCCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000479057557 894315240 /nfs/dbraw/zinc/31/52/40/894315240.db2.gz QSCLFKQRCGDCPM-UHFFFAOYSA-N -1 1 406.573 4.059 20 0 HIADMM CSCCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000479066214 894328188 /nfs/dbraw/zinc/32/81/88/894328188.db2.gz SLAIERWUDGKEES-UHFFFAOYSA-N -1 1 420.600 4.367 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)cnc1N1CCCC[C@@H]1C ZINC000479135468 894404085 /nfs/dbraw/zinc/40/40/85/894404085.db2.gz HYLMRIXGVLEWFR-AWEZNQCLSA-N -1 1 402.545 4.179 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@](C)(c2ccccc2)C(F)(F)F)cc1Cl ZINC000479161353 894431242 /nfs/dbraw/zinc/43/12/42/894431242.db2.gz QIVCXLHWQJPRKL-MRXNPFEDSA-N -1 1 420.840 4.054 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1Cl ZINC000479250033 894514627 /nfs/dbraw/zinc/51/46/27/894514627.db2.gz GWERXVOLJBMOBW-UHFFFAOYSA-N -1 1 421.950 4.480 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN(C)Cc3cscn3)c2)cc1F ZINC000479284517 894563544 /nfs/dbraw/zinc/56/35/44/894563544.db2.gz SPVJHUUUNWMFQX-UHFFFAOYSA-N -1 1 405.520 4.023 20 0 HIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000479335388 894629340 /nfs/dbraw/zinc/62/93/40/894629340.db2.gz PBJUMZRZSIJEIT-UHFFFAOYSA-N -1 1 402.850 4.466 20 0 HIADMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cc2sc(N3CCCC3)nc2s1 ZINC000479367901 894668345 /nfs/dbraw/zinc/66/83/45/894668345.db2.gz QCPDFBZAUMMFNJ-UHFFFAOYSA-N -1 1 414.491 4.135 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](C)C(F)(F)F)cc2)c1 ZINC000479384763 894686091 /nfs/dbraw/zinc/68/60/91/894686091.db2.gz XCPIZBOZWNRHPY-AWEZNQCLSA-N -1 1 414.449 4.032 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C)[C@H]3CC)cc2)cc1 ZINC000479406622 894712678 /nfs/dbraw/zinc/71/26/78/894712678.db2.gz JHRNXNFHISKOHX-IIBYNOLFSA-N -1 1 416.543 4.147 20 0 HIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000479463160 894786021 /nfs/dbraw/zinc/78/60/21/894786021.db2.gz AFNOLOGYUKOMRW-UHFFFAOYSA-N -1 1 406.813 4.297 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1)N1CCCCCC1 ZINC000479517217 894828370 /nfs/dbraw/zinc/82/83/70/894828370.db2.gz WUVDSELVMFJSAA-UHFFFAOYSA-N -1 1 415.540 4.113 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1F ZINC000479538162 894842372 /nfs/dbraw/zinc/84/23/72/894842372.db2.gz DUNOUFQJHZMLOB-UHFFFAOYSA-N -1 1 402.447 4.055 20 0 HIADMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)sn1 ZINC000480111764 895482746 /nfs/dbraw/zinc/48/27/46/895482746.db2.gz ULMRHKXHEQVHAE-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2O1 ZINC000480196415 895595964 /nfs/dbraw/zinc/59/59/64/895595964.db2.gz FMIBLNJCXHEAAH-KRWDZBQOSA-N -1 1 401.406 4.490 20 0 HIADMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000480205428 895607176 /nfs/dbraw/zinc/60/71/76/895607176.db2.gz WNIMSSPEMXAUDG-UHFFFAOYSA-N -1 1 402.122 4.322 20 0 HIADMM CC(C)[C@H]1N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1(C)C ZINC000480488241 895862739 /nfs/dbraw/zinc/86/27/39/895862739.db2.gz HYOYXDJFCYYREV-LJQANCHMSA-N -1 1 404.507 4.133 20 0 HIADMM CO[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000480613626 895979207 /nfs/dbraw/zinc/97/92/07/895979207.db2.gz OPFATXSGTZEFFX-OAQYLSRUSA-N -1 1 410.495 4.122 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(Cl)c(F)c1Cl ZINC000480669848 896034947 /nfs/dbraw/zinc/03/49/47/896034947.db2.gz VGVMNDNMSNJQCB-SJKOYZFVSA-N -1 1 404.290 4.189 20 0 HIADMM CSCCCCCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000481142749 896469682 /nfs/dbraw/zinc/46/96/82/896469682.db2.gz MHJNRQRIJZVAHT-UHFFFAOYSA-N -1 1 407.561 4.142 20 0 HIADMM O=S(=O)([N-][C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cc(Cl)sc1Cl ZINC000481234937 896585718 /nfs/dbraw/zinc/58/57/18/896585718.db2.gz ZTYMRZVDGHIVGP-QWHCGFSZSA-N -1 1 414.339 4.075 20 0 HIADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2 ZINC000481871209 897242092 /nfs/dbraw/zinc/24/20/92/897242092.db2.gz RDLCXUBJIRWFFF-UHFFFAOYSA-N -1 1 400.544 4.220 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1Cl ZINC000481959598 897349051 /nfs/dbraw/zinc/34/90/51/897349051.db2.gz RKFZDVUIVXRINC-UHFFFAOYSA-N -1 1 419.890 4.371 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1Cl ZINC000481967813 897358261 /nfs/dbraw/zinc/35/82/61/897358261.db2.gz YHNWKTXOTONQPR-UHFFFAOYSA-N -1 1 407.904 4.223 20 0 HIADMM Cc1ccc(NC(=O)CCOC(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000482049334 897474872 /nfs/dbraw/zinc/47/48/72/897474872.db2.gz NSKKMYGTIOWILS-UHFFFAOYSA-N -1 1 410.923 4.203 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(N(C)C)cc3C)c2)c1 ZINC000482506842 898087753 /nfs/dbraw/zinc/08/77/53/898087753.db2.gz QGOKMRZYKVTSSI-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000482535040 898122590 /nfs/dbraw/zinc/12/25/90/898122590.db2.gz ORCSXIRHOAMBJM-UHFFFAOYSA-N -1 1 416.275 4.073 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)c1 ZINC000482539260 898126834 /nfs/dbraw/zinc/12/68/34/898126834.db2.gz VWJMLWOOPMEFHA-FQEVSTJZSA-N -1 1 417.303 4.097 20 0 HIADMM COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482598773 898200006 /nfs/dbraw/zinc/20/00/06/898200006.db2.gz BZFNLHASFFWLJM-LLVKDONJSA-N -1 1 424.316 4.369 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)c1cccc(OC)c1 ZINC000505538320 914233366 /nfs/dbraw/zinc/23/33/66/914233366.db2.gz NSWHVYCOEJDWJH-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1 ZINC000482636399 898241206 /nfs/dbraw/zinc/24/12/06/898241206.db2.gz SZKXGDKNTJWVJD-FZMZJTMJSA-N -1 1 403.276 4.310 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c1 ZINC000482638687 898242686 /nfs/dbraw/zinc/24/26/86/898242686.db2.gz XYVHHZRJJHZEII-UHFFFAOYSA-N -1 1 403.280 4.349 20 0 HIADMM CCN(CC)C(=O)c1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482660019 898262611 /nfs/dbraw/zinc/26/26/11/898262611.db2.gz PZWVHRORIVADHI-UHFFFAOYSA-N -1 1 405.292 4.197 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)c1 ZINC000482673100 898276361 /nfs/dbraw/zinc/27/63/61/898276361.db2.gz MKPFSXLPOXPCLH-UHFFFAOYSA-N -1 1 419.319 4.378 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000482715732 898316828 /nfs/dbraw/zinc/31/68/28/898316828.db2.gz YRJHBYWLTKQVFW-HNNXBMFYSA-N -1 1 406.276 4.273 20 0 HIADMM C[C@@H]1CCSCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000482939461 898562103 /nfs/dbraw/zinc/56/21/03/898562103.db2.gz ARNQINSGKKMCSR-CQSZACIVSA-N -1 1 424.975 4.108 20 0 HIADMM Cc1nc2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc2o1 ZINC000483430246 899061599 /nfs/dbraw/zinc/06/15/99/899061599.db2.gz LVWWCEDQOYSUCH-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(Cl)cc1F ZINC000484073847 899708267 /nfs/dbraw/zinc/70/82/67/899708267.db2.gz JSOXSLXJHLRKIP-UHFFFAOYSA-N -1 1 402.838 4.218 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(COCC(F)(F)C(F)F)c1 ZINC000484567027 900038099 /nfs/dbraw/zinc/03/80/99/900038099.db2.gz FXSBWLBWWQKKFC-UHFFFAOYSA-N -1 1 421.412 4.051 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c(Cl)cc1F ZINC000484954443 900320643 /nfs/dbraw/zinc/32/06/43/900320643.db2.gz PQXZWLFXURSGNW-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM Cc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)sc1C ZINC000485026296 900369977 /nfs/dbraw/zinc/36/99/77/900369977.db2.gz RTDMEGALNKSASD-UHFFFAOYSA-N -1 1 419.503 4.261 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000505784203 914451128 /nfs/dbraw/zinc/45/11/28/914451128.db2.gz PBJMHLDRJQJINY-UONOGXRCSA-N -1 1 412.433 4.405 20 0 HIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cc(C(F)(F)F)ccc1F ZINC000485357079 900651278 /nfs/dbraw/zinc/65/12/78/900651278.db2.gz XFRSWVXCZJOWRE-UHFFFAOYSA-N -1 1 411.760 4.070 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1Cl ZINC000485396291 900693806 /nfs/dbraw/zinc/69/38/06/900693806.db2.gz UPYZEYROHNVKRV-UHFFFAOYSA-N -1 1 412.914 4.379 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485620587 900876218 /nfs/dbraw/zinc/87/62/18/900876218.db2.gz BZQISXRLJWVFSR-YPAWHYETSA-N -1 1 418.541 4.169 20 0 HIADMM CCCc1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)ccn1 ZINC000485662088 900914662 /nfs/dbraw/zinc/91/46/62/900914662.db2.gz CODXRRHPVVVISK-UHFFFAOYSA-N -1 1 413.474 4.226 20 0 HIADMM CCOc1ccccc1[C@@H](CC)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000505866377 914513476 /nfs/dbraw/zinc/51/34/76/914513476.db2.gz PBIRPGWMNSSHGA-HXUWFJFHSA-N -1 1 420.513 4.151 20 0 HIADMM CC(C)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486102634 901290187 /nfs/dbraw/zinc/29/01/87/901290187.db2.gz SGIUUPBHPKUVRL-UHFFFAOYSA-N -1 1 403.378 4.208 20 0 HIADMM CC(C)N(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCCC1 ZINC000486194769 901379084 /nfs/dbraw/zinc/37/90/84/901379084.db2.gz KLNWEHWTJLAUTF-UHFFFAOYSA-N -1 1 404.507 4.420 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(Br)c1F)c1cc(F)ccc1Cl ZINC000486575688 901717936 /nfs/dbraw/zinc/71/79/36/901717936.db2.gz NTBMHGGNNKQDKH-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)c1 ZINC000486613490 901749210 /nfs/dbraw/zinc/74/92/10/901749210.db2.gz ZBACCUKAYFNTJY-UHFFFAOYSA-N -1 1 415.515 4.168 20 0 HIADMM NC(=O)CCSc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000487404949 902186077 /nfs/dbraw/zinc/18/60/77/902186077.db2.gz LKPTVZNQCNXLDU-UHFFFAOYSA-N -1 1 412.536 4.122 20 0 HIADMM COc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000487942026 902472247 /nfs/dbraw/zinc/47/22/47/902472247.db2.gz FYJZVEQBWKUAAV-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM COc1cc(OC)c(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)c(OC)c1 ZINC000488294926 902756263 /nfs/dbraw/zinc/75/62/63/902756263.db2.gz LITYPLWOTOPHQN-UHFFFAOYSA-N -1 1 406.287 4.128 20 0 HIADMM CCc1cccnc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000505994684 914662911 /nfs/dbraw/zinc/66/29/11/914662911.db2.gz CXVLMLPVNBVWME-UHFFFAOYSA-N -1 1 413.474 4.145 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)ccc2o1 ZINC000488574708 902888291 /nfs/dbraw/zinc/88/82/91/902888291.db2.gz IOXKRAPBHLFDRF-UHFFFAOYSA-N -1 1 420.796 4.447 20 0 HIADMM CCc1cccnc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000506004457 914676831 /nfs/dbraw/zinc/67/68/31/914676831.db2.gz ZWXAFHRFQCLEHY-UHFFFAOYSA-N -1 1 413.474 4.145 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000488889681 903059780 /nfs/dbraw/zinc/05/97/80/903059780.db2.gz YNDNTRTVCIVVJM-OAQYLSRUSA-N -1 1 402.498 4.239 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1NC(=O)C(C)(C)C ZINC000489754703 903580940 /nfs/dbraw/zinc/58/09/40/903580940.db2.gz SGKFBOXLXPQQJG-UHFFFAOYSA-N -1 1 424.906 4.132 20 0 HIADMM O=C(NCc1csc(CCc2ccccc2)n1)c1ccc(Br)c([O-])c1 ZINC000490129720 903782675 /nfs/dbraw/zinc/78/26/75/903782675.db2.gz SISDBVSYGVFAEV-UHFFFAOYSA-N -1 1 417.328 4.326 20 0 HIADMM CSc1cc(O)ccc1[N-]C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000490249647 903854020 /nfs/dbraw/zinc/85/40/20/903854020.db2.gz MMPUMJKPHMPGAK-UHFFFAOYSA-N -1 1 412.368 4.105 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc([C@@H]4C[C@@H]4C)[nH]n3)c2)c1 ZINC000490255655 903856572 /nfs/dbraw/zinc/85/65/72/903856572.db2.gz VTRIIMLAOSEOHI-MAUKXSAKSA-N -1 1 424.526 4.203 20 0 HIADMM O=C([N-]c1cc(F)c(OC(F)F)cc1F)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000490269806 903865505 /nfs/dbraw/zinc/86/55/05/903865505.db2.gz JHMZEPSPYFCANZ-UHFFFAOYSA-N -1 1 408.307 4.408 20 0 HIADMM COc1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)sc1Br ZINC000490332058 903921533 /nfs/dbraw/zinc/92/15/33/903921533.db2.gz XIEHDHVCGSRUKK-PLNGDYQASA-N -1 1 412.290 4.386 20 0 HIADMM CC1(C)CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)O1 ZINC000490412198 903994229 /nfs/dbraw/zinc/99/42/29/903994229.db2.gz DREWBKLMPVCHTE-KRWDZBQOSA-N -1 1 408.907 4.037 20 0 HIADMM COc1ccc(NC(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000490493253 904045197 /nfs/dbraw/zinc/04/51/97/904045197.db2.gz URNHNQGSQPVTNF-LJQANCHMSA-N -1 1 419.547 4.284 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H]1OCCc2sccc21 ZINC000490511333 904060953 /nfs/dbraw/zinc/06/09/53/904060953.db2.gz CWGAYBRRWRNFCX-ANRSDYALSA-N -1 1 410.319 4.175 20 0 HIADMM O=C(Cc1cc(F)c(F)cc1F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000490581831 904115012 /nfs/dbraw/zinc/11/50/12/904115012.db2.gz RUVKUYAXNMCYAP-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3c(C)cccc3O)c2)c1 ZINC000490732794 904197831 /nfs/dbraw/zinc/19/78/31/904197831.db2.gz MDKRNQDEVPJVHG-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](CC(C)C)c2ccccc2C)cc1[N-]S(C)(=O)=O ZINC000491145088 904455067 /nfs/dbraw/zinc/45/50/67/904455067.db2.gz LWUJHMZVHXRPPC-SFHVURJKSA-N -1 1 419.547 4.284 20 0 HIADMM CCOc1cc(C(=O)NCc2cc(Br)ccc2F)cc(Cl)c1[O-] ZINC000506144845 914822602 /nfs/dbraw/zinc/82/26/02/914822602.db2.gz WACLFGROJJDFLG-UHFFFAOYSA-N -1 1 402.647 4.276 20 0 HIADMM Cc1cc(NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)ccc1F ZINC000491420448 904586703 /nfs/dbraw/zinc/58/67/03/904586703.db2.gz CQLHUMABFORMOV-UHFFFAOYSA-N -1 1 413.474 4.257 20 0 HIADMM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4)[nH]c3c2)c1 ZINC000491591177 904663837 /nfs/dbraw/zinc/66/38/37/904663837.db2.gz IHTKOZYJCABZCL-UHFFFAOYSA-N -1 1 409.467 4.048 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3cc(Cl)c(F)c(Cl)c3)ccc2N1 ZINC000491589985 904663892 /nfs/dbraw/zinc/66/38/92/904663892.db2.gz WIXCMYHYVQSCPV-UHFFFAOYSA-N -1 1 403.262 4.208 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(F)c(Cl)c3)cc2)CC1 ZINC000491651586 904680359 /nfs/dbraw/zinc/68/03/59/904680359.db2.gz CTBYYRWHDYEBME-UHFFFAOYSA-N -1 1 418.273 4.138 20 0 HIADMM COc1ccc(-c2nc(C)c([C@@H](C)[N-]S(=O)(=O)c3c(F)cccc3F)s2)cc1 ZINC000506251801 914864229 /nfs/dbraw/zinc/86/42/29/914864229.db2.gz AQDHNBKQBPQFCX-GFCCVEGCSA-N -1 1 424.494 4.445 20 0 HIADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000493278376 905076780 /nfs/dbraw/zinc/07/67/80/905076780.db2.gz DUBMPYANBNOYSC-UHFFFAOYSA-N -1 1 409.467 4.048 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccccc1Nc1ccc(F)cc1F ZINC000494121463 905466689 /nfs/dbraw/zinc/46/66/89/905466689.db2.gz ZZRAPWYSQOVPNO-UHFFFAOYSA-N -1 1 423.423 4.255 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(NC(C)C)nc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000494270976 905594280 /nfs/dbraw/zinc/59/42/80/905594280.db2.gz MEANJTDKSYZXLI-UHFFFAOYSA-N -1 1 424.526 4.263 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC(C)(C)C2)c1 ZINC000494318387 905632079 /nfs/dbraw/zinc/63/20/79/905632079.db2.gz OBOJHLMDDFNHLZ-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC(C)(C)C3)c2)cc1 ZINC000494441485 905726534 /nfs/dbraw/zinc/72/65/34/905726534.db2.gz YVVHYLCGWUFVHT-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c2ccccc12 ZINC000494555058 905833131 /nfs/dbraw/zinc/83/31/31/905833131.db2.gz UXRVPBPPWZSPKH-UHFFFAOYSA-N -1 1 423.538 4.323 20 0 HIADMM O=C(Nc1ccccc1)C1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000494575221 905843549 /nfs/dbraw/zinc/84/35/49/905843549.db2.gz QIJVRVLPYYIVTF-UHFFFAOYSA-N -1 1 419.717 4.096 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCc3ccsc3)c2)c1 ZINC000512569121 921242561 /nfs/dbraw/zinc/24/25/61/921242561.db2.gz KLCJBCRJKGCTNO-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM COc1cc(NC(=O)C(C)(C)CCCc2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000496150704 906614790 /nfs/dbraw/zinc/61/47/90/906614790.db2.gz UFIGOIYCQJABJW-UHFFFAOYSA-N -1 1 404.532 4.054 20 0 HIADMM Cc1ccccc1-n1c(SCc2nn[n-]n2)nnc1-c1ccc(Cl)cc1Cl ZINC000497158229 906813338 /nfs/dbraw/zinc/81/33/38/906813338.db2.gz CKVDGHNEJGVODL-UHFFFAOYSA-N -1 1 418.313 4.355 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c(F)cccc1F ZINC000497373938 906862701 /nfs/dbraw/zinc/86/27/01/906862701.db2.gz DKFHPUNOBGEHRB-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM CC[C@@H](c1nnc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)s1)c1ccccc1 ZINC000497423454 906896736 /nfs/dbraw/zinc/89/67/36/906896736.db2.gz CJRHSGONCDCNAV-MRXNPFEDSA-N -1 1 417.494 4.286 20 0 HIADMM CSc1ccc(N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000497431959 906904323 /nfs/dbraw/zinc/90/43/23/906904323.db2.gz DCZBDTMSAMUNGW-UHFFFAOYSA-N -1 1 412.536 4.486 20 0 HIADMM CSc1ccc(N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000497451369 906928292 /nfs/dbraw/zinc/92/82/92/906928292.db2.gz OSDRMABKKQUACW-UHFFFAOYSA-N -1 1 412.536 4.486 20 0 HIADMM COc1ccccc1[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccccn1 ZINC000497510973 907000491 /nfs/dbraw/zinc/00/04/91/907000491.db2.gz CCJPEXKXXULOET-IBGZPJMESA-N -1 1 413.271 4.078 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(COCC4CC4)c3)c3cccc(c23)C1=O ZINC000512746083 921300532 /nfs/dbraw/zinc/30/05/32/921300532.db2.gz AURMRRASTXCSLC-UHFFFAOYSA-N -1 1 422.506 4.157 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(CC(F)(F)F)c3)c3cccc(c23)C1=O ZINC000512770562 921304647 /nfs/dbraw/zinc/30/46/47/921304647.db2.gz FHZJJHJOBCGRSJ-UHFFFAOYSA-N -1 1 420.412 4.335 20 0 HIADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c1 ZINC000512795225 921312817 /nfs/dbraw/zinc/31/28/17/921312817.db2.gz PLMNSKZCRMFMOT-UHFFFAOYSA-N -1 1 416.430 4.129 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C)ccc3Br)c2C)o1 ZINC000497847928 907329005 /nfs/dbraw/zinc/32/90/05/907329005.db2.gz SLBZVLCFTURZDG-UHFFFAOYSA-N -1 1 410.293 4.158 20 0 HIADMM O=C(Nc1ccc2[nH]ccc2c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000497869370 907347740 /nfs/dbraw/zinc/34/77/40/907347740.db2.gz REUFEMLEJFTCQN-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)cc1 ZINC000497910892 907383154 /nfs/dbraw/zinc/38/31/54/907383154.db2.gz ADJFUCSAZMVUFG-INIZCTEOSA-N -1 1 409.573 4.324 20 0 HIADMM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1c(Cl)cc(Cl)cc1Cl ZINC000498018905 907515678 /nfs/dbraw/zinc/51/56/78/907515678.db2.gz KIEUOECLPILHDV-UHFFFAOYSA-N -1 1 403.678 4.233 20 0 HIADMM Cc1ccc(NC(=O)CO[C@H]2CCCC[C@@H]2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000498201925 907734642 /nfs/dbraw/zinc/73/46/42/907734642.db2.gz PDYGWFWODCDREG-UWJYYQICSA-N -1 1 416.543 4.330 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cccc(F)c3)cc2)c1C ZINC000498275262 907811196 /nfs/dbraw/zinc/81/11/96/907811196.db2.gz IXKGSHLUECKAHA-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000498409096 907887429 /nfs/dbraw/zinc/88/74/29/907887429.db2.gz MKQLCCAEBUZXRM-UHFFFAOYSA-N -1 1 405.495 4.343 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCCCCC1 ZINC000498410527 907888279 /nfs/dbraw/zinc/88/82/79/907888279.db2.gz QWKVJUIUDZCUMG-UHFFFAOYSA-N -1 1 409.458 4.174 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)cc1F ZINC000498412219 907888982 /nfs/dbraw/zinc/88/89/82/907888982.db2.gz WYVUCAGRQQJHHN-UHFFFAOYSA-N -1 1 405.495 4.343 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2C)c1 ZINC000498414150 907889839 /nfs/dbraw/zinc/88/98/39/907889839.db2.gz IHROWMFGMATKSG-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM CCOC(=O)Cn1ccc2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)ccc21 ZINC000498424522 907895499 /nfs/dbraw/zinc/89/54/99/907895499.db2.gz HPUXARXAPFLMRG-UHFFFAOYSA-N -1 1 400.500 4.129 20 0 HIADMM CCCN(CC(F)F)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000498725795 908152372 /nfs/dbraw/zinc/15/23/72/908152372.db2.gz JWHJBZFKFHMUAO-UHFFFAOYSA-N -1 1 410.486 4.222 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000498845792 908250386 /nfs/dbraw/zinc/25/03/86/908250386.db2.gz NHIACCZPNIPSIQ-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM COc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc(Cl)c1[O-] ZINC000498870894 908271074 /nfs/dbraw/zinc/27/10/74/908271074.db2.gz HKIOMXJJNLNBQD-UHFFFAOYSA-N -1 1 422.666 4.255 20 0 HIADMM C[C@@H]1CC[C@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H](C)C1 ZINC000499138595 908495309 /nfs/dbraw/zinc/49/53/09/908495309.db2.gz GGPPCPNPVPNZLF-XFQAVAEZSA-N -1 1 418.534 4.110 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)c2ccccc12 ZINC000512953144 921434415 /nfs/dbraw/zinc/43/44/15/921434415.db2.gz QBYPVYFWDJBBQE-UHFFFAOYSA-N -1 1 412.511 4.178 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000499504277 908820408 /nfs/dbraw/zinc/82/04/08/908820408.db2.gz JSKZZUDPKALJQB-CYBMUJFWSA-N -1 1 409.454 4.058 20 0 HIADMM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(Br)c([O-])c3)cc2)n1 ZINC000499835663 908970043 /nfs/dbraw/zinc/97/00/43/908970043.db2.gz HARNDQJSUINBOW-AWEZNQCLSA-N -1 1 414.303 4.448 20 0 HIADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000499858068 908993484 /nfs/dbraw/zinc/99/34/84/908993484.db2.gz BNOVGGHMNZGDJH-SECBINFHSA-N -1 1 422.666 4.349 20 0 HIADMM CC(C)COC[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccco1 ZINC000500085964 909563085 /nfs/dbraw/zinc/56/30/85/909563085.db2.gz IHJKGJCDMFPIAD-INIZCTEOSA-N -1 1 406.331 4.420 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000500329402 909790728 /nfs/dbraw/zinc/79/07/28/909790728.db2.gz LKTYELJORCKUOV-UHFFFAOYSA-N -1 1 417.449 4.368 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCSCC2)c(C)c1 ZINC000500346601 909803364 /nfs/dbraw/zinc/80/33/64/909803364.db2.gz KWQGKUDDOPCKEN-UHFFFAOYSA-N -1 1 412.964 4.011 20 0 HIADMM CCc1cccnc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000500726128 910043925 /nfs/dbraw/zinc/04/39/25/910043925.db2.gz BFCSDHXBFDZVBY-UHFFFAOYSA-N -1 1 415.902 4.351 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC(C)C)C3CC3)cc2)cc1C ZINC000513124531 921569252 /nfs/dbraw/zinc/56/92/52/921569252.db2.gz TYUXMXIMLYAANG-UHFFFAOYSA-N -1 1 400.544 4.365 20 0 HIADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)c1 ZINC000501790966 910842590 /nfs/dbraw/zinc/84/25/90/910842590.db2.gz DYCSEHOAUMRCJC-UHFFFAOYSA-N -1 1 417.512 4.173 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@H](c2ccccc2F)C1 ZINC000502105944 911042941 /nfs/dbraw/zinc/04/29/41/911042941.db2.gz BXRMKZVYCSYQOY-LBPRGKRZSA-N -1 1 415.262 4.472 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000502158917 911078638 /nfs/dbraw/zinc/07/86/38/911078638.db2.gz ULOKJDZDLRKGAH-CYBMUJFWSA-N -1 1 412.465 4.088 20 0 HIADMM C[C@H](NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000502202512 911146320 /nfs/dbraw/zinc/14/63/20/911146320.db2.gz KVJGBNMPHASAAX-SFHVURJKSA-N -1 1 423.538 4.390 20 0 HIADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000502442236 911428131 /nfs/dbraw/zinc/42/81/31/911428131.db2.gz KREIMGWBWBGVDI-UHFFFAOYSA-N -1 1 422.261 4.119 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccc(OCc2ccccn2)c1 ZINC000502667600 911708577 /nfs/dbraw/zinc/70/85/77/911708577.db2.gz LSVNLUZAOPEXNI-ZDUSSCGKSA-N -1 1 422.428 4.117 20 0 HIADMM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000502927560 911914066 /nfs/dbraw/zinc/91/40/66/911914066.db2.gz CQJSGXXAHRFPIZ-PKOBYXMFSA-N -1 1 416.543 4.330 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000506525088 915160312 /nfs/dbraw/zinc/16/03/12/915160312.db2.gz PVCKRMKRCSBPCE-UHFFFAOYSA-N -1 1 424.504 4.008 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)c1 ZINC000506577723 915227387 /nfs/dbraw/zinc/22/73/87/915227387.db2.gz JBOYWHNKHPNLKL-UHFFFAOYSA-N -1 1 416.524 4.025 20 0 HIADMM CNC(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)ccc1Cl ZINC000506639946 915310117 /nfs/dbraw/zinc/31/01/17/915310117.db2.gz QOZUJAJXGJHPBB-UHFFFAOYSA-N -1 1 400.887 4.167 20 0 HIADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccccc1-c1cccs1)c1ccccc1 ZINC000506645689 915315264 /nfs/dbraw/zinc/31/52/64/915315264.db2.gz KQHROYZHOKOGDO-KRWDZBQOSA-N -1 1 401.509 4.114 20 0 HIADMM CC(C)C[C@@H](C)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000506662310 915336650 /nfs/dbraw/zinc/33/66/50/915336650.db2.gz HXNKPZZCMAPWGX-QGZVFWFLSA-N -1 1 403.548 4.063 20 0 HIADMM CC(=O)Nc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000506675700 915351927 /nfs/dbraw/zinc/35/19/27/915351927.db2.gz LVAIQALYFFMTBR-UHFFFAOYSA-N -1 1 420.840 4.302 20 0 HIADMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000506678011 915355741 /nfs/dbraw/zinc/35/57/41/915355741.db2.gz XRTHUWDNDRBVTR-UHFFFAOYSA-N -1 1 404.495 4.433 20 0 HIADMM [O-]c1cccc(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1Cl ZINC000507076575 915856148 /nfs/dbraw/zinc/85/61/48/915856148.db2.gz HPYPYMZBQYSEGN-UHFFFAOYSA-N -1 1 419.312 4.067 20 0 HIADMM O=S(=O)([N-]Cc1ccc(COCc2ccccc2)cc1)c1cccc(F)c1F ZINC000507399495 916163019 /nfs/dbraw/zinc/16/30/19/916163019.db2.gz BTMPHVFSLNIDGS-UHFFFAOYSA-N -1 1 403.450 4.160 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)c(Cl)c2)c1 ZINC000507595187 916349094 /nfs/dbraw/zinc/34/90/94/916349094.db2.gz HHMXJNQTGKLKIP-UHFFFAOYSA-N -1 1 408.676 4.189 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccoc1C ZINC000507660215 916420945 /nfs/dbraw/zinc/42/09/45/916420945.db2.gz MLRWMGIZERUQRC-UHFFFAOYSA-N -1 1 420.874 4.303 20 0 HIADMM CC[C@H](C)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000507732515 916526104 /nfs/dbraw/zinc/52/61/04/916526104.db2.gz NKKAWWPDXXRMPR-HNNXBMFYSA-N -1 1 420.531 4.269 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4cccc(C)c43)c2)cc1 ZINC000507757759 916545217 /nfs/dbraw/zinc/54/52/17/916545217.db2.gz WHNURSLXMGGFHT-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM Cc1cc(Cl)c(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1Cl ZINC000507958221 916815555 /nfs/dbraw/zinc/81/55/55/916815555.db2.gz YTACPWSMNMHACV-UHFFFAOYSA-N -1 1 405.303 4.224 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3Cc4ccccc4C3)c2)c1 ZINC000507967518 916819864 /nfs/dbraw/zinc/81/98/64/916819864.db2.gz UYKGJULSOAEGJP-UHFFFAOYSA-N -1 1 420.534 4.035 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(CC2CCCCC2)c2ccccn2)c(=O)[n-]1 ZINC000507980539 916826782 /nfs/dbraw/zinc/82/67/82/916826782.db2.gz JZUJYOHBAWWXDC-UHFFFAOYSA-N -1 1 400.548 4.154 20 0 HIADMM COc1ccc([C@@H](NC(=O)c2ccc(Br)c([O-])c2)C(F)(F)F)cc1 ZINC000508082512 916901083 /nfs/dbraw/zinc/90/10/83/916901083.db2.gz SQZDNAUJZXFOQY-CQSZACIVSA-N -1 1 404.182 4.197 20 0 HIADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000508216614 917033955 /nfs/dbraw/zinc/03/39/55/917033955.db2.gz UCLBJLKRFKFRMO-QFIPXVFZSA-N -1 1 406.507 4.213 20 0 HIADMM C[C@H]1CCC[C@@H](CNC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000508248901 917068003 /nfs/dbraw/zinc/06/80/03/917068003.db2.gz OAAHKALUVXLWIN-FUHWJXTLSA-N -1 1 418.534 4.112 20 0 HIADMM CCOc1ccc(CCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000508401127 917192493 /nfs/dbraw/zinc/19/24/93/917192493.db2.gz LAJUMMPGOSJASQ-UHFFFAOYSA-N -1 1 424.522 4.457 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)COC4)c2)c1 ZINC000508402463 917194450 /nfs/dbraw/zinc/19/44/50/917194450.db2.gz MYMFIBJCKDDPDH-UHFFFAOYSA-N -1 1 408.479 4.078 20 0 HIADMM CC1(C)CC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000508426307 917214543 /nfs/dbraw/zinc/21/45/43/917214543.db2.gz ODFCIOPIMXLWBR-HNNXBMFYSA-N -1 1 408.470 4.074 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 ZINC000509102661 917842599 /nfs/dbraw/zinc/84/25/99/917842599.db2.gz IGBZDWOKDJHAPR-UHFFFAOYSA-N -1 1 418.584 4.390 20 0 HIADMM O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000509171404 917885680 /nfs/dbraw/zinc/88/56/80/917885680.db2.gz MLYXIGXZWSMPIX-HSZRJFAPSA-N -1 1 416.724 4.335 20 0 HIADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000509212011 917913002 /nfs/dbraw/zinc/91/30/02/917913002.db2.gz PJIRMFOAJHEXHN-UHFFFAOYSA-N -1 1 408.483 4.051 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C(C1CCC1)C1CCC1 ZINC000509224742 917923538 /nfs/dbraw/zinc/92/35/38/917923538.db2.gz FXKHPYIHKSVIJB-UHFFFAOYSA-N -1 1 412.555 4.320 20 0 HIADMM CC[C@H](C)Oc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000509243062 917937199 /nfs/dbraw/zinc/93/71/99/917937199.db2.gz IBZMMIUQBKYSBZ-HNNXBMFYSA-N -1 1 406.486 4.301 20 0 HIADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509251143 917945340 /nfs/dbraw/zinc/94/53/40/917945340.db2.gz YPQKYMCRKOCMKE-SNVBAGLBSA-N -1 1 408.667 4.358 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1cc(Br)ccc1F ZINC000509377343 918043777 /nfs/dbraw/zinc/04/37/77/918043777.db2.gz GGUUDLPVOLIQRD-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM Cc1ccc(Cc2ccccn2)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000509386056 918052516 /nfs/dbraw/zinc/05/25/16/918052516.db2.gz PRXCASYKPISVEN-UHFFFAOYSA-N -1 1 416.886 4.133 20 0 HIADMM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000509387448 918054053 /nfs/dbraw/zinc/05/40/53/918054053.db2.gz VEYZAWTUVIWZSN-UHFFFAOYSA-N -1 1 414.458 4.158 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Br)cc2[nH]ncc21 ZINC000509392790 918057425 /nfs/dbraw/zinc/05/74/25/918057425.db2.gz STHFBLVLBWJXDR-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)c1 ZINC000509392064 918058753 /nfs/dbraw/zinc/05/87/53/918058753.db2.gz NLNIBEKVVPUONT-UHFFFAOYSA-N -1 1 402.447 4.014 20 0 HIADMM CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c(C)noc1C ZINC000509412056 918073694 /nfs/dbraw/zinc/07/36/94/918073694.db2.gz WTKSMHIPXMOUMX-LJQANCHMSA-N -1 1 413.499 4.225 20 0 HIADMM Cc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000509441591 918096857 /nfs/dbraw/zinc/09/68/57/918096857.db2.gz KTHDTSVRGDGBKX-NRFANRHFSA-N -1 1 402.498 4.157 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Sc3nnc(C)s3)cc2C)c1 ZINC000509542968 918193000 /nfs/dbraw/zinc/19/30/00/918193000.db2.gz UFZZSCGVTCCTPV-UHFFFAOYSA-N -1 1 419.553 4.310 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cc1 ZINC000509612493 918260607 /nfs/dbraw/zinc/26/06/07/918260607.db2.gz CIBKRLGGFOFFPJ-UHFFFAOYSA-N -1 1 408.479 4.067 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1OCC ZINC000509612990 918260966 /nfs/dbraw/zinc/26/09/66/918260966.db2.gz HEFWVBTVHKFIKN-UHFFFAOYSA-N -1 1 403.504 4.215 20 0 HIADMM CCCOc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c(C)c1 ZINC000509771784 918385356 /nfs/dbraw/zinc/38/53/56/918385356.db2.gz DLEXZUKCLOPHBY-UHFFFAOYSA-N -1 1 406.486 4.221 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)Nc1ccc2[nH]ccc2c1 ZINC000509947709 918542257 /nfs/dbraw/zinc/54/22/57/918542257.db2.gz WQUNCFCRKKINTJ-UHFFFAOYSA-N -1 1 420.494 4.290 20 0 HIADMM CCOC(=O)c1c[n-]c(NC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)n1 ZINC000509987016 918573887 /nfs/dbraw/zinc/57/38/87/918573887.db2.gz OAKMVKCTWWGWEK-UHFFFAOYSA-N -1 1 405.410 4.261 20 0 HIADMM COc1cc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)ccc1[N-]S(C)(=O)=O ZINC000510042370 918613321 /nfs/dbraw/zinc/61/33/21/918613321.db2.gz GRDDEGCDEBFUNN-UHFFFAOYSA-N -1 1 424.478 4.147 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccc3ccccc3c2)C2CC2)c(=O)[n-]1 ZINC000510114158 918676151 /nfs/dbraw/zinc/67/61/51/918676151.db2.gz ULCIAXPYUSLVGX-UHFFFAOYSA-N -1 1 407.539 4.490 20 0 HIADMM Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000510119484 918679776 /nfs/dbraw/zinc/67/97/76/918679776.db2.gz PGLISDODPQQXKV-UHFFFAOYSA-N -1 1 409.573 4.114 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1c(F)cncc1F ZINC000511019187 919587526 /nfs/dbraw/zinc/58/75/26/919587526.db2.gz VMEDSDONJPYUKC-SSDOTTSWSA-N -1 1 400.756 4.072 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3CC)c2)c2ccccc12 ZINC000511186826 919806136 /nfs/dbraw/zinc/80/61/36/919806136.db2.gz HXWCYFRZUVBXDI-UHFFFAOYSA-N -1 1 422.510 4.318 20 0 HIADMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)c3ccccc32)c1 ZINC000511216151 919826089 /nfs/dbraw/zinc/82/60/89/919826089.db2.gz LDWGZKSQRWWKPV-UHFFFAOYSA-N -1 1 412.511 4.179 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1F ZINC000511244302 919845710 /nfs/dbraw/zinc/84/57/10/919845710.db2.gz ZRPUMCKGZXAWJA-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c2ccccc12 ZINC000511286948 919881833 /nfs/dbraw/zinc/88/18/33/919881833.db2.gz GWQGGBCMTDHDRZ-UHFFFAOYSA-N -1 1 424.522 4.275 20 0 HIADMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1cccc(Cl)c1Br ZINC000511363611 919957259 /nfs/dbraw/zinc/95/72/59/919957259.db2.gz YWZIVGFDSBPEPJ-UHFFFAOYSA-N -1 1 406.651 4.113 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000511701429 920366181 /nfs/dbraw/zinc/36/61/81/920366181.db2.gz QEVDQRBJHXVAOT-UHFFFAOYSA-N -1 1 424.522 4.206 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1Cl ZINC000511721079 920386946 /nfs/dbraw/zinc/38/69/46/920386946.db2.gz DPXIEYLMHRRWCL-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM Cc1cc(Sc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000511739173 920410393 /nfs/dbraw/zinc/41/03/93/920410393.db2.gz FESGQHUSFZPUJP-UHFFFAOYSA-N -1 1 410.520 4.442 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC[C@H]3C)c2)cc1F ZINC000511792839 920485767 /nfs/dbraw/zinc/48/57/67/920485767.db2.gz JRDSWSAIECIFNO-MRXNPFEDSA-N -1 1 404.507 4.340 20 0 HIADMM Cc1ccc(NC(=O)[C@]2(C)CCCOC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000511826605 920524769 /nfs/dbraw/zinc/52/47/69/920524769.db2.gz QXWPQZGEAHUQJH-HXUWFJFHSA-N -1 1 422.934 4.204 20 0 HIADMM Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3c[n-]c4c(cnn4C)c3=O)cc2c1 ZINC000512072230 920838539 /nfs/dbraw/zinc/83/85/39/920838539.db2.gz VZZIWVQHGNHBSA-UHFFFAOYSA-N -1 1 416.437 4.164 20 0 HIADMM COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000512110560 920865999 /nfs/dbraw/zinc/86/59/99/920865999.db2.gz UGEAEEGTMFWGNB-OAHLLOKOSA-N -1 1 416.481 4.183 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3cc(C4CCCCC4)n[nH]3)c3cccc(c23)C1=O ZINC000512354235 921099303 /nfs/dbraw/zinc/09/93/03/921099303.db2.gz ZENLVLRRXKJGHL-UHFFFAOYSA-N -1 1 410.499 4.001 20 0 HIADMM Cc1ccc(NC(=O)c2cnc(C)nc2C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000513534961 921875420 /nfs/dbraw/zinc/87/54/20/921875420.db2.gz QXXWIEQOWPTECP-UHFFFAOYSA-N -1 1 424.526 4.270 20 0 HIADMM CC1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)c2)C1 ZINC000513671127 921993429 /nfs/dbraw/zinc/99/34/29/921993429.db2.gz GIEHTCPXXMYDLF-UHFFFAOYSA-N -1 1 406.507 4.246 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CC(C)C2)c1 ZINC000513695375 922017799 /nfs/dbraw/zinc/01/77/99/922017799.db2.gz CUUQVJHGFDUAJP-UHFFFAOYSA-N -1 1 400.544 4.185 20 0 HIADMM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000513720480 922040900 /nfs/dbraw/zinc/04/09/00/922040900.db2.gz LFVZVRHZJYKOGV-QFBILLFUSA-N -1 1 402.516 4.021 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4cc(F)ccc43)cc2)c1C ZINC000513727390 922047734 /nfs/dbraw/zinc/04/77/34/922047734.db2.gz JGEPVNMZIFYSSD-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@H]1CCC(C)(C)C1 ZINC000513730581 922051909 /nfs/dbraw/zinc/05/19/09/922051909.db2.gz LXXCAEAFJPEDGL-SFHVURJKSA-N -1 1 400.544 4.272 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000513818947 922142006 /nfs/dbraw/zinc/14/20/06/922142006.db2.gz MZXQYJCGGXUKJH-UHFFFAOYSA-N -1 1 400.790 4.397 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000514490418 922644747 /nfs/dbraw/zinc/64/47/47/922644747.db2.gz YRYJJJPJSXJZGI-UHFFFAOYSA-N -1 1 403.529 4.096 20 0 HIADMM CC[C@@H](NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1)c1ccc(Cl)cc1 ZINC000514529812 922679300 /nfs/dbraw/zinc/67/93/00/922679300.db2.gz IGZHLEOOGGVDMC-MRXNPFEDSA-N -1 1 421.950 4.077 20 0 HIADMM O=C(Nc1ccc(C(=O)N2C3CCC2CC3)c([O-])c1)c1cccc(Br)c1 ZINC000515092847 922905169 /nfs/dbraw/zinc/90/51/69/922905169.db2.gz RHGPYOWXYXVYFK-UHFFFAOYSA-N -1 1 415.287 4.174 20 0 HIADMM Cc1c(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)oc2c1C(=O)CCC2 ZINC000515420631 923091887 /nfs/dbraw/zinc/09/18/87/923091887.db2.gz WOOQVJGOSUESSD-UHFFFAOYSA-N -1 1 424.478 4.160 20 0 HIADMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1F ZINC000515556511 923174321 /nfs/dbraw/zinc/17/43/21/923174321.db2.gz UOKORLPSRQZLOX-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1ncsc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000515564129 923181469 /nfs/dbraw/zinc/18/14/69/923181469.db2.gz HORFKYDROOGDFT-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000515691681 923277018 /nfs/dbraw/zinc/27/70/18/923277018.db2.gz BOLRXZBVPIJLQD-UHFFFAOYSA-N -1 1 415.536 4.175 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC3CC3)C(C)C)c2)cc1 ZINC000515816981 923371343 /nfs/dbraw/zinc/37/13/43/923371343.db2.gz WBNHNVMJMYWSJG-UHFFFAOYSA-N -1 1 416.543 4.147 20 0 HIADMM CCO[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000516751905 923875849 /nfs/dbraw/zinc/87/58/49/923875849.db2.gz YKNZUAZFXIWNMI-NRFANRHFSA-N -1 1 410.495 4.204 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000516884157 923923753 /nfs/dbraw/zinc/92/37/53/923923753.db2.gz UHOWLDKCYGVWCQ-LJQANCHMSA-N -1 1 408.889 4.112 20 0 HIADMM O=C(CCc1ccncc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000517798962 926841322 /nfs/dbraw/zinc/84/13/22/926841322.db2.gz VKABDCVAKXUXAF-UHFFFAOYSA-N -1 1 415.902 4.107 20 0 HIADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000518043139 926982928 /nfs/dbraw/zinc/98/29/28/926982928.db2.gz JMVYFNQGLBWPJR-OAQYLSRUSA-N -1 1 410.470 4.044 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C3CC3)C3CCCC3)c2)cc1F ZINC000518070921 927005396 /nfs/dbraw/zinc/00/53/96/927005396.db2.gz XJFLXGKJOSZMCF-UHFFFAOYSA-N -1 1 416.518 4.482 20 0 HIADMM O=S(=O)([N-]c1ccc(Cc2nc(-c3ccccc3)no2)cc1)c1ccc(F)cc1 ZINC000518324751 927189436 /nfs/dbraw/zinc/18/94/36/927189436.db2.gz WJOKVJFSKJGAGB-UHFFFAOYSA-N -1 1 409.442 4.267 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000518852569 927557945 /nfs/dbraw/zinc/55/79/45/927557945.db2.gz BUDGCVAYSOZBPS-UHFFFAOYSA-N -1 1 407.495 4.032 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)Oc4ccccc43)cc2)cc1 ZINC000518956748 927656223 /nfs/dbraw/zinc/65/62/23/927656223.db2.gz IWUSCVLPEAHUCN-KRWDZBQOSA-N -1 1 422.506 4.224 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C2CC2)c1 ZINC000518993314 927679059 /nfs/dbraw/zinc/67/90/59/927679059.db2.gz KYSQCNQXNDPFKZ-UHFFFAOYSA-N -1 1 400.544 4.328 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H](C)C2)cc1C ZINC000519059527 927736493 /nfs/dbraw/zinc/73/64/93/927736493.db2.gz AJNFFALALZJCNH-AWEZNQCLSA-N -1 1 404.507 4.115 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C)(C)c3ccccc3)c2)cc1 ZINC000519144980 927804137 /nfs/dbraw/zinc/80/41/37/927804137.db2.gz WANPUYQDSWJKMZ-UHFFFAOYSA-N -1 1 424.522 4.161 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2c3ccccc3O[C@H]2C)cc1 ZINC000519220287 927832874 /nfs/dbraw/zinc/83/28/74/927832874.db2.gz BEGSSIGVRVWULW-AOMKIAJQSA-N -1 1 422.506 4.048 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(F)c2F)cc1 ZINC000520059187 928284452 /nfs/dbraw/zinc/28/44/52/928284452.db2.gz UXORKOBRUOQTHW-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 ZINC000520405133 928549006 /nfs/dbraw/zinc/54/90/06/928549006.db2.gz HVOSBYKBOXHLKD-MRXNPFEDSA-N -1 1 401.406 4.064 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000520570495 928646776 /nfs/dbraw/zinc/64/67/76/928646776.db2.gz NKJHGLJCJXHJDU-UHFFFAOYSA-N -1 1 408.502 4.192 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cncc(C(F)(F)F)c1 ZINC000520647551 928697788 /nfs/dbraw/zinc/69/77/88/928697788.db2.gz UVJYWBCWLGXGKN-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc4nccnc4c3)cc2)cc1 ZINC000520670639 928715653 /nfs/dbraw/zinc/71/56/53/928715653.db2.gz OAPKFFIMJVPEGV-UHFFFAOYSA-N -1 1 407.451 4.232 20 0 HIADMM CC(=O)c1csc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000520718404 928765976 /nfs/dbraw/zinc/76/59/76/928765976.db2.gz GNRKIFLQTAFKCO-UHFFFAOYSA-N -1 1 414.508 4.312 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(C(C)C)cc2)o1 ZINC000520775130 928811780 /nfs/dbraw/zinc/81/17/80/928811780.db2.gz LHJXFVYJHZNJLN-LJQANCHMSA-N -1 1 419.524 4.319 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3cccnc3)cc2)cc1C ZINC000520980257 928899782 /nfs/dbraw/zinc/89/97/82/928899782.db2.gz PRKMIBQAHLVGPU-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1 ZINC000521280533 929097308 /nfs/dbraw/zinc/09/73/08/929097308.db2.gz WBQLFWBCVQQJKS-UHFFFAOYSA-N -1 1 416.886 4.293 20 0 HIADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Sc3ccccc3Cl)cc2)c1 ZINC000521329377 929145136 /nfs/dbraw/zinc/14/51/36/929145136.db2.gz GOFNIEPCEHEQCM-UHFFFAOYSA-N -1 1 418.927 4.391 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1 ZINC000521540176 929285251 /nfs/dbraw/zinc/28/52/51/929285251.db2.gz QVNRHFZXWXNULH-HXUWFJFHSA-N -1 1 415.515 4.250 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3cccnc3)ccc2C)cc1 ZINC000521565344 929300769 /nfs/dbraw/zinc/30/07/69/929300769.db2.gz SPUOXZIQTNTAJI-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM CO[C@@](C)(C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000521611866 929328029 /nfs/dbraw/zinc/32/80/29/929328029.db2.gz OHJLYSJZHMUSQZ-HSZRJFAPSA-N -1 1 424.522 4.296 20 0 HIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1OC ZINC000521761408 929423870 /nfs/dbraw/zinc/42/38/70/929423870.db2.gz ZHJBYPSDWZQWFN-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CC3CCCC3)cc2)cc1C ZINC000521808425 929466599 /nfs/dbraw/zinc/46/65/99/929466599.db2.gz WPWOATDRUGKPCI-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc2ccccc2c1 ZINC000521918394 929561166 /nfs/dbraw/zinc/56/11/66/929561166.db2.gz SNDMOICLNHBXIB-UHFFFAOYSA-N -1 1 421.478 4.480 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1ccccc1Br ZINC000524532072 929668860 /nfs/dbraw/zinc/66/88/60/929668860.db2.gz YCWUCAUIZBMHNC-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM O=C(Nc1nnn[n-]1)c1c2c(nc3ccccc31)C(=Cc1c(F)cccc1Cl)CC2 ZINC000524579126 929697171 /nfs/dbraw/zinc/69/71/71/929697171.db2.gz LWEOTZGKTRAFFX-ZHACJKMWSA-N -1 1 420.835 4.280 20 0 HIADMM O=C(Nc1nn[n-]n1)c1c2c(nc3ccccc31)C(=Cc1c(F)cccc1Cl)CC2 ZINC000524579126 929697174 /nfs/dbraw/zinc/69/71/74/929697174.db2.gz LWEOTZGKTRAFFX-ZHACJKMWSA-N -1 1 420.835 4.280 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C)[C@@H]3C)c2)cc1 ZINC000524653799 929767015 /nfs/dbraw/zinc/76/70/15/929767015.db2.gz JDRZXWPXWYADRN-IRXDYDNUSA-N -1 1 416.543 4.147 20 0 HIADMM C[C@H]1C[C@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H](C)C1 ZINC000524723814 929810764 /nfs/dbraw/zinc/81/07/64/929810764.db2.gz IRDYWXAUWDRQLA-DZFIZOCASA-N -1 1 415.559 4.111 20 0 HIADMM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000524846981 929855729 /nfs/dbraw/zinc/85/57/29/929855729.db2.gz HKFYDUIVVURQAC-PKOBYXMFSA-N -1 1 400.544 4.494 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(C)c2)cc1 ZINC000524853562 929859040 /nfs/dbraw/zinc/85/90/40/929859040.db2.gz UQMSHZKQFFTZDH-UHFFFAOYSA-N -1 1 404.532 4.067 20 0 HIADMM CO[C@@H](C)CN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C(C)C ZINC000524875643 929867638 /nfs/dbraw/zinc/86/76/38/929867638.db2.gz QNSQWWQXXHRBRN-HNNXBMFYSA-N -1 1 424.950 4.026 20 0 HIADMM COc1cc(NC(=O)N[C@H](CC(C)C)c2ccccc2C)ccc1[N-]S(C)(=O)=O ZINC000524896416 929877421 /nfs/dbraw/zinc/87/74/21/929877421.db2.gz VIULNBFUJGGDAP-LJQANCHMSA-N -1 1 419.547 4.284 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc2c(cccc2F)[nH]1 ZINC000525069951 930016639 /nfs/dbraw/zinc/01/66/39/930016639.db2.gz QBVHJJFFEFHQOV-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccncc1 ZINC000525071646 930017239 /nfs/dbraw/zinc/01/72/39/930017239.db2.gz FNVNJMMZHDPLOL-NRFANRHFSA-N -1 1 423.538 4.380 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000525086035 930026544 /nfs/dbraw/zinc/02/65/44/930026544.db2.gz VIAUJPHGMDSRDB-RBBKRZOGSA-N -1 1 412.555 4.494 20 0 HIADMM CC(C)(C)[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000525172000 930075454 /nfs/dbraw/zinc/07/54/54/930075454.db2.gz NYDIGQCDZUEVBM-QGZVFWFLSA-N -1 1 414.449 4.194 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000525389712 930212945 /nfs/dbraw/zinc/21/29/45/930212945.db2.gz APMLOVSTGFOUQW-HIFRSBDPSA-N -1 1 406.935 4.320 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](C)[C@H]3C)c2)cc1 ZINC000525621549 930367796 /nfs/dbraw/zinc/36/77/96/930367796.db2.gz WLNAAUSKHQBIDN-IAGOWNOFSA-N -1 1 416.543 4.147 20 0 HIADMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)ccc2[nH]1 ZINC000526004797 930505412 /nfs/dbraw/zinc/50/54/12/930505412.db2.gz OHWQLRJQFNOPDV-UHFFFAOYSA-N -1 1 419.462 4.228 20 0 HIADMM Cc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530569311 930752967 /nfs/dbraw/zinc/75/29/67/930752967.db2.gz HNMCAAWJISEUNU-UHFFFAOYSA-N -1 1 421.482 4.244 20 0 HIADMM Cc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000530569311 930752972 /nfs/dbraw/zinc/75/29/72/930752972.db2.gz HNMCAAWJISEUNU-UHFFFAOYSA-N -1 1 421.482 4.244 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](C)c2cccc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000530624420 930776311 /nfs/dbraw/zinc/77/63/11/930776311.db2.gz VGMAFSJUFRXDFS-AWEZNQCLSA-N -1 1 413.499 4.103 20 0 HIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(N4CCSCC4)cc3C)c2n1 ZINC000530770156 930820060 /nfs/dbraw/zinc/82/00/60/930820060.db2.gz DLOXAHYEKYRALJ-UHFFFAOYSA-N -1 1 413.568 4.206 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(F)ccc2O)cc1 ZINC000530896985 930852907 /nfs/dbraw/zinc/85/29/07/930852907.db2.gz CDRITYKDDLFHRG-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM CCC1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])CCC1 ZINC000530959955 930868376 /nfs/dbraw/zinc/86/83/76/930868376.db2.gz XOMRCRROZDYUJU-UHFFFAOYSA-N -1 1 408.907 4.365 20 0 HIADMM CC(C)n1cc([C@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)cn1 ZINC000531195214 930961532 /nfs/dbraw/zinc/96/15/32/930961532.db2.gz BRDIQTLNOWUOAT-ZDUSSCGKSA-N -1 1 421.473 4.111 20 0 HIADMM C[C@H](C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C(C)(C)C ZINC000531351780 931027794 /nfs/dbraw/zinc/02/77/94/931027794.db2.gz ZQHHCRJNFPAILT-GFCCVEGCSA-N -1 1 410.923 4.467 20 0 HIADMM O=C(Nc1ccc(F)cc1O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000531756428 931184327 /nfs/dbraw/zinc/18/43/27/931184327.db2.gz IMXOVBRHFJWFEP-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000532077689 931303963 /nfs/dbraw/zinc/30/39/63/931303963.db2.gz WDWKJIIYOBGCFS-SNVBAGLBSA-N -1 1 418.316 4.473 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)c2cccnc12 ZINC000532352969 931405543 /nfs/dbraw/zinc/40/55/43/931405543.db2.gz KNAAQCGYWDZCLE-UHFFFAOYSA-N -1 1 409.467 4.316 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000532804534 931634541 /nfs/dbraw/zinc/63/45/41/931634541.db2.gz AGODZMNPMGQODJ-OAHLLOKOSA-N -1 1 417.937 4.373 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)[C@H]1COc2ccccc21 ZINC000533180346 931803207 /nfs/dbraw/zinc/80/32/07/931803207.db2.gz MIGOWWPTKGOKBB-WCBMZHEXSA-N -1 1 422.753 4.007 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000533695042 931974379 /nfs/dbraw/zinc/97/43/79/931974379.db2.gz RHRTUYWOPKKSKA-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM CCc1noc(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000533716815 931987607 /nfs/dbraw/zinc/98/76/07/931987607.db2.gz SUHPBBYIGLXXEI-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cnc2ccc(F)cc2c1 ZINC000533886865 932081261 /nfs/dbraw/zinc/08/12/61/932081261.db2.gz VFTMOQAZUXAICX-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CCc1onc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000534044704 932220200 /nfs/dbraw/zinc/22/02/00/932220200.db2.gz DBSFLUMPGDYJDU-UHFFFAOYSA-N -1 1 417.462 4.046 20 0 HIADMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1csc(-c2ncccc2F)n1 ZINC000534336944 932386451 /nfs/dbraw/zinc/38/64/51/932386451.db2.gz BMWBHTZCISNHFS-UHFFFAOYSA-N -1 1 415.450 4.178 20 0 HIADMM CN(C(=O)c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1)c1ccccc1 ZINC000534567291 932570457 /nfs/dbraw/zinc/57/04/57/932570457.db2.gz MRGWSFIMOZVLRP-UHFFFAOYSA-N -1 1 412.449 4.311 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1-c1ccccc1 ZINC000534681603 932652011 /nfs/dbraw/zinc/65/20/11/932652011.db2.gz HYRZIGAXZNLWCY-UHFFFAOYSA-N -1 1 410.268 4.088 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3ccsc3C2)cc1 ZINC000534849449 932807075 /nfs/dbraw/zinc/80/70/75/932807075.db2.gz VGAVHEORYUTBBJ-UHFFFAOYSA-N -1 1 412.536 4.056 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c2cccnc12 ZINC000534942736 932849547 /nfs/dbraw/zinc/84/95/47/932849547.db2.gz ZSGDIGHGIXDAGP-UHFFFAOYSA-N -1 1 405.479 4.030 20 0 HIADMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535137230 932956409 /nfs/dbraw/zinc/95/64/09/932956409.db2.gz IHZIUWZCZXOTKO-DEOSSOPVSA-N -1 1 403.928 4.327 20 0 HIADMM CCc1noc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000535160318 932977098 /nfs/dbraw/zinc/97/70/98/932977098.db2.gz BPWRCUYVIHLKSZ-UHFFFAOYSA-N -1 1 417.462 4.046 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCC(F)(F)CC3)cc2)cc1C ZINC000535656200 933301138 /nfs/dbraw/zinc/30/11/38/933301138.db2.gz OKTLBVJWACEKCD-UHFFFAOYSA-N -1 1 422.497 4.412 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000537705610 938359995 /nfs/dbraw/zinc/35/99/95/938359995.db2.gz IRDBCMMDHQZTPL-GDBMZVCRSA-N -1 1 420.488 4.159 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3CC)cc2)cc1 ZINC000537916237 938411526 /nfs/dbraw/zinc/41/15/26/938411526.db2.gz GRADTXGBUPLRKZ-LPHOPBHVSA-N -1 1 416.543 4.289 20 0 HIADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1C ZINC000563315963 945175651 /nfs/dbraw/zinc/17/56/51/945175651.db2.gz MSHRWFZIFOVHAJ-UHFFFAOYSA-N -1 1 405.369 4.049 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000538052084 938485103 /nfs/dbraw/zinc/48/51/03/938485103.db2.gz PQEDPPRIMHYEHL-UONOGXRCSA-N -1 1 417.289 4.246 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc(OC)c1Br ZINC000538297903 938586434 /nfs/dbraw/zinc/58/64/34/938586434.db2.gz CDQIXDXURVCNQQ-UHFFFAOYSA-N -1 1 420.712 4.229 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1C ZINC000538495662 938635377 /nfs/dbraw/zinc/63/53/77/938635377.db2.gz UQNQDHLRSRITCR-UHFFFAOYSA-N -1 1 409.467 4.316 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C(C)C)c(OC)c2)c2cccnc12 ZINC000538707840 938687487 /nfs/dbraw/zinc/68/74/87/938687487.db2.gz GIOWBYNKWWYKKH-UHFFFAOYSA-N -1 1 416.499 4.185 20 0 HIADMM O=C(N[C@H]1CC12CCCCC2)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000538892114 938731482 /nfs/dbraw/zinc/73/14/82/938731482.db2.gz IYXZVJNDVAEGNU-IBGZPJMESA-N -1 1 402.491 4.079 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(C(F)(F)F)c1 ZINC000538939168 938741539 /nfs/dbraw/zinc/74/15/39/938741539.db2.gz OVHUZDQLZUPDSL-UHFFFAOYSA-N -1 1 401.406 4.230 20 0 HIADMM CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(COC)cc3)ccc2s1 ZINC000539192151 938817773 /nfs/dbraw/zinc/81/77/73/938817773.db2.gz ZMAPLRYKTRBETM-UHFFFAOYSA-N -1 1 405.497 4.025 20 0 HIADMM COc1cc(NC(=O)c2sc(C3CCCCC3)nc2C)ccc1[N-]S(C)(=O)=O ZINC000539339787 938845031 /nfs/dbraw/zinc/84/50/31/938845031.db2.gz GIZAYJCZCOJKBP-UHFFFAOYSA-N -1 1 423.560 4.132 20 0 HIADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2cccc(C)c2Cl)c2ccc(Cl)cc2)no1 ZINC000539419628 938857822 /nfs/dbraw/zinc/85/78/22/938857822.db2.gz KVEJPNYSAUIKMF-INIZCTEOSA-N -1 1 412.298 4.061 20 0 HIADMM Cc1nc([C@H]([N-]S(=O)(=O)c2cccc(C)c2Cl)c2ccc(Cl)cc2)no1 ZINC000539419639 938857933 /nfs/dbraw/zinc/85/79/33/938857933.db2.gz KVEJPNYSAUIKMF-MRXNPFEDSA-N -1 1 412.298 4.061 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C(F)(F)F)c3)cc2)CC1 ZINC000539548842 938878349 /nfs/dbraw/zinc/87/83/49/938878349.db2.gz AHXHMVMMELWUCO-UHFFFAOYSA-N -1 1 413.417 4.019 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)c(C)c1 ZINC000539597386 938885812 /nfs/dbraw/zinc/88/58/12/938885812.db2.gz PXOLFIOGPPWCQB-UHFFFAOYSA-N -1 1 409.467 4.398 20 0 HIADMM O=C([O-])c1ccccc1CCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000539678372 938899403 /nfs/dbraw/zinc/89/94/03/938899403.db2.gz VBSLEEJGHGOSRS-UHFFFAOYSA-N -1 1 412.449 4.408 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000540070287 939057749 /nfs/dbraw/zinc/05/77/49/939057749.db2.gz BRWRVRYPQICAKP-RTWAWAEBSA-N -1 1 424.497 4.046 20 0 HIADMM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000563607630 945224806 /nfs/dbraw/zinc/22/48/06/945224806.db2.gz ADNPTFOHEZDJSO-OALUTQOASA-N -1 1 422.934 4.285 20 0 HIADMM CCc1nc2ccccc2n1C1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000540166105 939099209 /nfs/dbraw/zinc/09/92/09/939099209.db2.gz IRWRMSFMWKNMJX-UHFFFAOYSA-N -1 1 415.497 4.033 20 0 HIADMM CCc1nc2ccccc2n1C1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000540166105 939099217 /nfs/dbraw/zinc/09/92/17/939099217.db2.gz IRWRMSFMWKNMJX-UHFFFAOYSA-N -1 1 415.497 4.033 20 0 HIADMM CCN(CC)[C@@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1Cl ZINC000780372133 939112198 /nfs/dbraw/zinc/11/21/98/939112198.db2.gz BLAVYCQWOHUNJA-OALUTQOASA-N -1 1 409.958 4.056 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc(C)ccc2Br)n[nH]c1-c1ccccc1 ZINC000540211756 939130664 /nfs/dbraw/zinc/13/06/64/939130664.db2.gz YXPZEYWGGGEOOJ-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)ccc1C ZINC000540215452 939132002 /nfs/dbraw/zinc/13/20/02/939132002.db2.gz ROSPRRFFVXHHDW-UHFFFAOYSA-N -1 1 410.495 4.333 20 0 HIADMM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1Br ZINC000540339699 939199400 /nfs/dbraw/zinc/19/94/00/939199400.db2.gz VETJWAXIUDQYJN-UHFFFAOYSA-N -1 1 411.321 4.134 20 0 HIADMM O=C(c1c(Cl)cccc1Oc1ccccc1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540422688 939242946 /nfs/dbraw/zinc/24/29/46/939242946.db2.gz HZUUSUGMPGUSEL-LBPRGKRZSA-N -1 1 418.284 4.319 20 0 HIADMM Cc1ccccc1NC(=O)Cc1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1 ZINC000540713720 939346029 /nfs/dbraw/zinc/34/60/29/939346029.db2.gz QCTOEZMDYZRYPQ-UHFFFAOYSA-N -1 1 400.529 4.037 20 0 HIADMM CC(=O)N(c1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1)c1ccc(F)cc1 ZINC000540716260 939346823 /nfs/dbraw/zinc/34/68/23/939346823.db2.gz GZJZURGVFZNYKN-UHFFFAOYSA-N -1 1 404.492 4.372 20 0 HIADMM O=C([O-])c1ccccc1CC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000540781585 939370568 /nfs/dbraw/zinc/37/05/68/939370568.db2.gz JOPINWXIMCIMCQ-UHFFFAOYSA-N -1 1 403.413 4.172 20 0 HIADMM O=C(NC/C=C/c1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000540885376 939409717 /nfs/dbraw/zinc/40/97/17/939409717.db2.gz CXQYPMYLDCMEHH-VMPITWQZSA-N -1 1 410.470 4.070 20 0 HIADMM C[C@H]1CC[C@]2(CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C2)C1 ZINC000541045626 939440574 /nfs/dbraw/zinc/44/05/74/939440574.db2.gz NQTHUEIPKDTEHI-AOMKIAJQSA-N -1 1 416.518 4.279 20 0 HIADMM CCC[C@@H](NC(=O)c1ccc(-c2ccc(Br)s2)s1)c1nn[n-]n1 ZINC000541099254 939459581 /nfs/dbraw/zinc/45/95/81/939459581.db2.gz CLMKELHQBYAVCW-MRVPVSSYSA-N -1 1 412.338 4.023 20 0 HIADMM CCC[C@H](NC(=O)c1ccc(-c2ccc(Br)s2)s1)c1nn[n-]n1 ZINC000541099257 939459951 /nfs/dbraw/zinc/45/99/51/939459951.db2.gz CLMKELHQBYAVCW-QMMMGPOBSA-N -1 1 412.338 4.023 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)CC(C)(C)C2)cc1 ZINC000541510283 939540462 /nfs/dbraw/zinc/54/04/62/939540462.db2.gz HFVMTNCCIZVFDQ-MRXNPFEDSA-N -1 1 400.544 4.304 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccncc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000541862148 939647903 /nfs/dbraw/zinc/64/79/03/939647903.db2.gz VYCLVVGSVQECOY-UHFFFAOYSA-N -1 1 415.902 4.025 20 0 HIADMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2ccccc2Br)n[nH]1 ZINC000542219909 939762414 /nfs/dbraw/zinc/76/24/14/939762414.db2.gz CKUFJJLCYANPIC-UHFFFAOYSA-N -1 1 420.332 4.067 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2sc(-c3ccccc3)nc2C)c(=O)[n-]1 ZINC000543132874 939963662 /nfs/dbraw/zinc/96/36/62/939963662.db2.gz ASVBDANVINMCKQ-UHFFFAOYSA-N -1 1 400.529 4.216 20 0 HIADMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nn1[C@@H](C)C1CC1 ZINC000543322095 940029726 /nfs/dbraw/zinc/02/97/26/940029726.db2.gz WHTPYQMPLBPRSB-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CCCCS3)c2)c1 ZINC000543326738 940032356 /nfs/dbraw/zinc/03/23/56/940032356.db2.gz OMFNXJHYYVTIHE-SFHVURJKSA-N -1 1 418.584 4.120 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccncc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000543720527 940169283 /nfs/dbraw/zinc/16/92/83/940169283.db2.gz NYJBJPIFVJDCRZ-UHFFFAOYSA-N -1 1 415.902 4.025 20 0 HIADMM COc1cc(Br)ccc1CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000543954880 940268345 /nfs/dbraw/zinc/26/83/45/940268345.db2.gz VHEBCLAQKQPBNE-UHFFFAOYSA-N -1 1 416.275 4.125 20 0 HIADMM O=c1[n-]c(-c2cccc(OCCO)n2)nc2ccc(Oc3ccc(Cl)cc3)cc12 ZINC000543959916 940270780 /nfs/dbraw/zinc/27/07/80/940270780.db2.gz HFQQHQVHQGGZSG-UHFFFAOYSA-N -1 1 409.829 4.214 20 0 HIADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1ccc(OCC(F)F)cc1 ZINC000544099445 940326937 /nfs/dbraw/zinc/32/69/37/940326937.db2.gz KZGCKZHDHQTJHT-UHFFFAOYSA-N -1 1 411.348 4.072 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C(C)(C)C)C3)cc2)cc1 ZINC000544295396 940382196 /nfs/dbraw/zinc/38/21/96/940382196.db2.gz ZFWMFFGBWKVVRJ-QGZVFWFLSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H](C)c2ccccc21 ZINC000544572183 940482206 /nfs/dbraw/zinc/48/22/06/940482206.db2.gz HMXQKZIRXZUPGL-INIZCTEOSA-N -1 1 402.498 4.416 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1OC(C)C ZINC000544847371 940519011 /nfs/dbraw/zinc/51/90/11/940519011.db2.gz UOEGGFBANULUFS-UHFFFAOYSA-N -1 1 412.467 4.002 20 0 HIADMM CSc1nc(C)c(CCc2nc(Cc3cc(Cl)ccc3Cl)no2)c(=O)[n-]1 ZINC000544990414 940531375 /nfs/dbraw/zinc/53/13/75/940531375.db2.gz VISQTYMGSHSEJI-UHFFFAOYSA-N -1 1 411.314 4.278 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(Cc2ccc(C(C)C)cc2)no1 ZINC000545053731 940537556 /nfs/dbraw/zinc/53/75/56/940537556.db2.gz BVIPLENMXNUBOJ-UHFFFAOYSA-N -1 1 415.497 4.435 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc([C@@H](C)C2CC2)no1 ZINC000545089881 940541585 /nfs/dbraw/zinc/54/15/85/940541585.db2.gz HIOBAQNAMBJGLU-ZDUSSCGKSA-N -1 1 401.463 4.498 20 0 HIADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000545122779 940545078 /nfs/dbraw/zinc/54/50/78/940545078.db2.gz FKYIYQMYLZDYGJ-SANMLTNESA-N -1 1 422.597 4.273 20 0 HIADMM CCOc1cc(C(=O)NCc2cccc(COCC(F)(F)F)c2)cc(Cl)c1[O-] ZINC000545136771 940547578 /nfs/dbraw/zinc/54/75/78/940547578.db2.gz IHKOTYGUYUGLOR-UHFFFAOYSA-N -1 1 417.811 4.453 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc(Cl)c1[O-] ZINC000545150174 940551337 /nfs/dbraw/zinc/55/13/37/940551337.db2.gz LRKHWDUBVANUAR-JTQLQIEISA-N -1 1 405.813 4.124 20 0 HIADMM CCOc1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc(Cl)c1[O-] ZINC000545169872 940553851 /nfs/dbraw/zinc/55/38/51/940553851.db2.gz GYBFHPHYGHKQJM-UHFFFAOYSA-N -1 1 417.815 4.090 20 0 HIADMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)c2C1 ZINC000545187272 940554768 /nfs/dbraw/zinc/55/47/68/940554768.db2.gz KXUFNGJFOMYBFB-UHFFFAOYSA-N -1 1 415.559 4.196 20 0 HIADMM CCN(CCC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000545502021 940572184 /nfs/dbraw/zinc/57/21/84/940572184.db2.gz VCBJSOIFBVKCFZ-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM CS[C@@H]1CCC[C@H](NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000545511026 940572465 /nfs/dbraw/zinc/57/24/65/940572465.db2.gz IBPXOYWMTNTFCR-FUHWJXTLSA-N -1 1 419.572 4.283 20 0 HIADMM O=C(NCC1(c2ccccc2)CC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545515645 940572784 /nfs/dbraw/zinc/57/27/84/940572784.db2.gz DZAATWGRJRJAPR-UHFFFAOYSA-N -1 1 421.522 4.341 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1)c1ccccc1 ZINC000545748104 940583559 /nfs/dbraw/zinc/58/35/59/940583559.db2.gz WFIAYJPIPRWBDC-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM C[C@H](c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1)c1ccncc1 ZINC000545798265 940600541 /nfs/dbraw/zinc/60/05/41/940600541.db2.gz DQYVNQOAWOYPCQ-HNNXBMFYSA-N -1 1 406.467 4.084 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc(Cl)c1[O-] ZINC000545843657 940628695 /nfs/dbraw/zinc/62/86/95/940628695.db2.gz YZOBBMPZGVXMDQ-AWEZNQCLSA-N -1 1 413.905 4.299 20 0 HIADMM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000546175112 940721915 /nfs/dbraw/zinc/72/19/15/940721915.db2.gz HLIGEYFUVVKSTC-UHFFFAOYSA-N -1 1 413.870 4.253 20 0 HIADMM CCSCC[C@H](C)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546216542 940732026 /nfs/dbraw/zinc/73/20/26/940732026.db2.gz KGBHBQQLSAXMQS-INIZCTEOSA-N -1 1 421.588 4.483 20 0 HIADMM CCOC(=O)Cn1ccc2cc(NC(=O)c3cc(Cl)c([O-])c(OCC)c3)ccc21 ZINC000546584513 940858268 /nfs/dbraw/zinc/85/82/68/940858268.db2.gz MYMUBMIYNNJUDM-UHFFFAOYSA-N -1 1 416.861 4.214 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(Sc2ccc(Cl)cc2)c1 ZINC000546832522 940890877 /nfs/dbraw/zinc/89/08/77/940890877.db2.gz KAKJLUMLMSDUPM-CQSZACIVSA-N -1 1 413.934 4.333 20 0 HIADMM CCSCC[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546927066 940915459 /nfs/dbraw/zinc/91/54/59/940915459.db2.gz UOZKPSCOEVJSET-OAHLLOKOSA-N -1 1 407.561 4.141 20 0 HIADMM C[C@H](CNc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546927144 940915632 /nfs/dbraw/zinc/91/56/32/940915632.db2.gz LUMLZNPQXCMAAZ-QGZVFWFLSA-N -1 1 424.526 4.110 20 0 HIADMM Cc1ccnc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)n2)c1 ZINC000546998160 940948322 /nfs/dbraw/zinc/94/83/22/940948322.db2.gz RUURQEXXAFRGJC-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000564059842 945366301 /nfs/dbraw/zinc/36/63/01/945366301.db2.gz NGQQXDFZXUCBHJ-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(CSCC)no3)c2)cc1 ZINC000547145858 941011101 /nfs/dbraw/zinc/01/11/01/941011101.db2.gz SYNAUQWPKNJTPZ-UHFFFAOYSA-N -1 1 419.528 4.189 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1 ZINC000547162750 941016966 /nfs/dbraw/zinc/01/69/66/941016966.db2.gz XULCAFACYPRCBF-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)cc(Cl)c1[O-] ZINC000547259425 941045928 /nfs/dbraw/zinc/04/59/28/941045928.db2.gz JJKNYKCFKXYFDS-UHFFFAOYSA-N -1 1 407.257 4.444 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc4cc[nH]c43)c2)cc1 ZINC000547820893 941076937 /nfs/dbraw/zinc/07/69/37/941076937.db2.gz YJOLRBSMKFTXNQ-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc4cc[nH]c43)cc2)cc1 ZINC000548145985 941088884 /nfs/dbraw/zinc/08/88/84/941088884.db2.gz RJNQMACVAKAFDT-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2)n[nH]1 ZINC000548792383 941124144 /nfs/dbraw/zinc/12/41/44/941124144.db2.gz XNYDKOXWMVNKON-UHFFFAOYSA-N -1 1 404.451 4.480 20 0 HIADMM Cc1cc([C@@H]2CN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)CCO2)ccc1F ZINC000548946421 941132035 /nfs/dbraw/zinc/13/20/35/941132035.db2.gz NCLKTCFRDLVWIX-IBGZPJMESA-N -1 1 400.837 4.255 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@](F)(c4cccc(C(F)(F)F)c4)C3)cnc2n1 ZINC000549409958 941187113 /nfs/dbraw/zinc/18/71/13/941187113.db2.gz MDVWUJCFOWVUJR-HXUWFJFHSA-N -1 1 419.378 4.374 20 0 HIADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@](F)(c4cccc(C(F)(F)F)c4)C3)c[n-]c2n1 ZINC000549409958 941187116 /nfs/dbraw/zinc/18/71/16/941187116.db2.gz MDVWUJCFOWVUJR-HXUWFJFHSA-N -1 1 419.378 4.374 20 0 HIADMM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1=O ZINC000549584901 941200392 /nfs/dbraw/zinc/20/03/92/941200392.db2.gz OPQPKADLBUUVCF-WBVHZDCISA-N -1 1 418.497 4.287 20 0 HIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3nn(-c4cc(C)ccc4F)cc3[O-])[nH]c2c1 ZINC000550167689 941292513 /nfs/dbraw/zinc/29/25/13/941292513.db2.gz ZKKJFUKQKIUIQK-SFHVURJKSA-N -1 1 419.460 4.187 20 0 HIADMM Cc1nc(C(C)C)ccc1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000550453207 941329128 /nfs/dbraw/zinc/32/91/28/941329128.db2.gz PMWWQXVTTYGKQS-UHFFFAOYSA-N -1 1 423.538 4.244 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cnn(C(C)C)c3)cc2)cc1C ZINC000550571547 941340772 /nfs/dbraw/zinc/34/07/72/941340772.db2.gz DMRIDNBGNQMYRI-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM Cc1coc(C)c1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000550794090 941367295 /nfs/dbraw/zinc/36/72/95/941367295.db2.gz WGSVHQRDKHTXLF-UHFFFAOYSA-N -1 1 420.874 4.309 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)n[n-]1 ZINC000552008279 941567933 /nfs/dbraw/zinc/56/79/33/941567933.db2.gz RKEOPCQTOQJEKO-AQNXPRMDSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)[n-]1 ZINC000552008279 941567934 /nfs/dbraw/zinc/56/79/34/941567934.db2.gz RKEOPCQTOQJEKO-AQNXPRMDSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)n1 ZINC000552008279 941567937 /nfs/dbraw/zinc/56/79/37/941567937.db2.gz RKEOPCQTOQJEKO-AQNXPRMDSA-N -1 1 420.513 4.142 20 0 HIADMM COc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc(OC)c1OC ZINC000552022721 941569712 /nfs/dbraw/zinc/56/97/12/941569712.db2.gz QXMRXXVMEWNBEP-UHFFFAOYSA-N -1 1 416.655 4.086 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2c1NCCC2 ZINC000552216922 941605986 /nfs/dbraw/zinc/60/59/86/941605986.db2.gz JTTNMFYLBLKVDG-UHFFFAOYSA-N -1 1 421.522 4.406 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000553174976 941844821 /nfs/dbraw/zinc/84/48/21/941844821.db2.gz NWAVFLSRHLOTSQ-HRAATJIYSA-N -1 1 402.498 4.095 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(C(F)F)CCCCC2)cc1 ZINC000553206761 941849035 /nfs/dbraw/zinc/84/90/35/941849035.db2.gz BDHACZYDQSBRRY-UHFFFAOYSA-N -1 1 422.497 4.494 20 0 HIADMM COc1cc(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc(Cl)c1[O-] ZINC000553260476 941858066 /nfs/dbraw/zinc/85/80/66/941858066.db2.gz NYXBVCSVTFBKQU-UHFFFAOYSA-N -1 1 409.873 4.264 20 0 HIADMM O=S(=O)([N-]C1CC(F)(c2cccc(Cl)c2)C1)c1cccnc1C(F)(F)F ZINC000553541912 941905050 /nfs/dbraw/zinc/90/50/50/941905050.db2.gz HOAPRIFIQZSYCJ-UHFFFAOYSA-N -1 1 408.804 4.060 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(-c4ccncc4)ccc3C)cc2)CC1 ZINC000553936375 942002347 /nfs/dbraw/zinc/00/23/47/942002347.db2.gz YEIUNPJWXPWXIY-UHFFFAOYSA-N -1 1 422.506 4.062 20 0 HIADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000554116145 942039883 /nfs/dbraw/zinc/03/98/83/942039883.db2.gz NEPCURGWQSCMGL-QHCPKHFHSA-N -1 1 420.534 4.411 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCc4occc4C3)cc2)cc1C ZINC000554735302 942215576 /nfs/dbraw/zinc/21/55/76/942215576.db2.gz VEGLXUWBTZGIHJ-UHFFFAOYSA-N -1 1 424.522 4.286 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000554835619 942272903 /nfs/dbraw/zinc/27/29/03/942272903.db2.gz XMEHDWBZOUTELH-UHFFFAOYSA-N -1 1 406.873 4.490 20 0 HIADMM O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1c(F)ccc([O-])c1F ZINC000554861041 942296726 /nfs/dbraw/zinc/29/67/26/942296726.db2.gz IXKOKPJDPFZKPR-UHFFFAOYSA-N -1 1 416.251 4.455 20 0 HIADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(C)(F)F ZINC000554932146 942323590 /nfs/dbraw/zinc/32/35/90/942323590.db2.gz GFTJKPRXTXPFQX-LLVKDONJSA-N -1 1 402.850 4.371 20 0 HIADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000554932701 942324326 /nfs/dbraw/zinc/32/43/26/942324326.db2.gz MHMWACFKLHERHH-MRVPVSSYSA-N -1 1 405.829 4.052 20 0 HIADMM CC(C)c1noc(Cc2ccc([N-]S(=O)(=O)c3ccc4ncsc4c3)cc2)n1 ZINC000555426665 942526749 /nfs/dbraw/zinc/52/67/49/942526749.db2.gz RQNUOKNKODKOIQ-UHFFFAOYSA-N -1 1 414.512 4.194 20 0 HIADMM COc1cccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000555961691 942780565 /nfs/dbraw/zinc/78/05/65/942780565.db2.gz MGMQECZOEYSFIP-UHFFFAOYSA-N -1 1 411.483 4.448 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cnn(C(C)C)c3)cc2)c1 ZINC000556027139 942789112 /nfs/dbraw/zinc/78/91/12/942789112.db2.gz AVAMRXATAKFNSO-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccco3)no2)cc1)c1ccc(F)c(F)c1 ZINC000556310469 942838383 /nfs/dbraw/zinc/83/83/83/942838383.db2.gz OAZRAIDWBIKGSK-UHFFFAOYSA-N -1 1 403.366 4.076 20 0 HIADMM COc1ccc2c(c1)CCC[C@]2(NCc1ccc(Br)cc1F)C(=O)[O-] ZINC000556322515 942841376 /nfs/dbraw/zinc/84/13/76/942841376.db2.gz OYHKYXQEEPLTFQ-LJQANCHMSA-N -1 1 408.267 4.003 20 0 HIADMM CCC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)cc1 ZINC000556352317 942848365 /nfs/dbraw/zinc/84/83/65/942848365.db2.gz OWUDKGMQRPBYHH-UHFFFAOYSA-N -1 1 414.571 4.122 20 0 HIADMM COc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc(OC)c1C ZINC000556847560 942939048 /nfs/dbraw/zinc/93/90/48/942939048.db2.gz OACNUEQDUWHTLN-UHFFFAOYSA-N -1 1 400.656 4.386 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCc2cc(Cl)ccc21 ZINC000557097572 943020033 /nfs/dbraw/zinc/02/00/33/943020033.db2.gz MEPDACICIMTBHO-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000557639193 943244621 /nfs/dbraw/zinc/24/46/21/943244621.db2.gz KKVVQIKNSASYBC-HTAPYJJXSA-N -1 1 416.525 4.485 20 0 HIADMM C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557762557 943283047 /nfs/dbraw/zinc/28/30/47/943283047.db2.gz LIFYXLWWWLMXQH-BMIGLBTASA-N -1 1 401.331 4.291 20 0 HIADMM O=C(NCCC1(F)CCC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000557972596 943343623 /nfs/dbraw/zinc/34/36/23/943343623.db2.gz VUZRCDOQRJGTCG-UHFFFAOYSA-N -1 1 410.898 4.153 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)cc1)c1cccc(-c2nc(C3CC3)no2)c1 ZINC000557991381 943348865 /nfs/dbraw/zinc/34/88/65/943348865.db2.gz UCQGPGSQMVYIMX-UHFFFAOYSA-N -1 1 420.288 4.177 20 0 HIADMM Cc1noc(C)c1CSCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000558036069 943363539 /nfs/dbraw/zinc/36/35/39/943363539.db2.gz WHGPJYPQZGIDNO-UHFFFAOYSA-N -1 1 405.701 4.285 20 0 HIADMM COc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)c(Br)c1OC ZINC000558462833 943566754 /nfs/dbraw/zinc/56/67/54/943566754.db2.gz MWBUJBLATPMEGU-UHFFFAOYSA-N -1 1 407.236 4.192 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000558574705 943605395 /nfs/dbraw/zinc/60/53/95/943605395.db2.gz MZJACMKVAPBAGM-MRXNPFEDSA-N -1 1 401.768 4.158 20 0 HIADMM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000559587830 944013667 /nfs/dbraw/zinc/01/36/67/944013667.db2.gz YMPGNEGOGNDLBT-UHFFFAOYSA-N -1 1 408.792 4.273 20 0 HIADMM CCCc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 ZINC000559960535 944099681 /nfs/dbraw/zinc/09/96/81/944099681.db2.gz CLROYKDPXXWVTR-INIZCTEOSA-N -1 1 423.888 4.225 20 0 HIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)N=c3nc(-c4ccsc4)[n-]s3)[nH]c2c1 ZINC000560036615 944135207 /nfs/dbraw/zinc/13/52/07/944135207.db2.gz FDRWAAYHUPJFGQ-HNNXBMFYSA-N -1 1 410.528 4.242 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3C[C@H]3c3ccccc3)cc2)c1C ZINC000560620603 944276825 /nfs/dbraw/zinc/27/68/25/944276825.db2.gz HVEPJSNXTIFOHR-GMAHTHKFSA-N -1 1 420.534 4.390 20 0 HIADMM COCCOc1c(Cl)cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1Cl ZINC000560935472 944373368 /nfs/dbraw/zinc/37/33/68/944373368.db2.gz NDIKNGFDSRNVBC-UHFFFAOYSA-N -1 1 418.298 4.022 20 0 HIADMM FC(F)(F)c1nc(=NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)s[n-]1 ZINC000561126717 944466702 /nfs/dbraw/zinc/46/67/02/944466702.db2.gz ICLPHPYBJCGYSW-UHFFFAOYSA-N -1 1 410.387 4.074 20 0 HIADMM FC(F)(F)c1nsc(=NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000561126717 944466710 /nfs/dbraw/zinc/46/67/10/944466710.db2.gz ICLPHPYBJCGYSW-UHFFFAOYSA-N -1 1 410.387 4.074 20 0 HIADMM CCOc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc(Cl)c1[O-] ZINC000561180215 944502271 /nfs/dbraw/zinc/50/22/71/944502271.db2.gz MJUJUGHLSPPZIA-ZIFCJYIRSA-N -1 1 401.890 4.089 20 0 HIADMM CCN(CC)c1nc2sc(C(=O)[N-]c3nnc(C4CCOCC4)s3)cc2s1 ZINC000561611891 944707836 /nfs/dbraw/zinc/70/78/36/944707836.db2.gz NODNIPSHHDSSKU-UHFFFAOYSA-N -1 1 423.589 4.202 20 0 HIADMM O=C(Cc1cccc(Cl)c1F)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000562166668 944994649 /nfs/dbraw/zinc/99/46/49/944994649.db2.gz ZEYWAUHFZXKKLU-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1)C(C)=O ZINC000562227332 945032259 /nfs/dbraw/zinc/03/22/59/945032259.db2.gz YVECHJDRAWSILG-UHFFFAOYSA-N -1 1 414.449 4.183 20 0 HIADMM COC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCCC1 ZINC000562335498 945061412 /nfs/dbraw/zinc/06/14/12/945061412.db2.gz NJAJLSBTTVUPOU-UHFFFAOYSA-N -1 1 408.907 4.039 20 0 HIADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)Cc2ccccc2Br)n[nH]1 ZINC000564129709 945392583 /nfs/dbraw/zinc/39/25/83/945392583.db2.gz RPVUQKZEHLMQPQ-UHFFFAOYSA-N -1 1 406.305 4.090 20 0 HIADMM O=C(Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1)N1CCCc2ccccc21 ZINC000564129150 945392750 /nfs/dbraw/zinc/39/27/50/945392750.db2.gz JNKXYYQIWPQXGN-UHFFFAOYSA-N -1 1 422.431 4.445 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)ccc1C(F)(F)F ZINC000564550292 945670723 /nfs/dbraw/zinc/67/07/23/945670723.db2.gz YKDZFOYULUFCHU-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(COC)c2)c(C)c1 ZINC000564548919 945670941 /nfs/dbraw/zinc/67/09/41/945670941.db2.gz DRHCAAPDZQPAAG-CQSZACIVSA-N -1 1 424.950 4.124 20 0 HIADMM CCOc1cc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc(Cl)c1[O-] ZINC000564692583 945733601 /nfs/dbraw/zinc/73/36/01/945733601.db2.gz HLFXNABWPZFDCY-UHFFFAOYSA-N -1 1 411.832 4.158 20 0 HIADMM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)c([O-])c1 ZINC000565310897 945805975 /nfs/dbraw/zinc/80/59/75/945805975.db2.gz NLZIZZFQNXXXQY-HOCLYGCPSA-N -1 1 414.658 4.207 20 0 HIADMM CO[C@@](C)(c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1)C1CC1 ZINC000565689841 945869150 /nfs/dbraw/zinc/86/91/50/945869150.db2.gz LHXRJLLJIAFSBU-OAQYLSRUSA-N -1 1 413.499 4.117 20 0 HIADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1cccc(Cl)c1Br ZINC000565788348 945882748 /nfs/dbraw/zinc/88/27/48/945882748.db2.gz HADZAICTDRWLLP-UHFFFAOYSA-N -1 1 404.717 4.284 20 0 HIADMM COc1ccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)c(Cl)c1 ZINC000566525624 946030586 /nfs/dbraw/zinc/03/05/86/946030586.db2.gz UJKILXTYIPHRAR-MRXNPFEDSA-N -1 1 418.824 4.412 20 0 HIADMM Cc1cccc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)n1 ZINC000566592371 946051798 /nfs/dbraw/zinc/05/17/98/946051798.db2.gz AWZKLGUERJIMLW-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CC(=O)N(C4CCCCC4)C3)n2)cc(Cl)c1[O-] ZINC000566953206 946189921 /nfs/dbraw/zinc/18/99/21/946189921.db2.gz DREWAVUKHLVJNO-ZDUSSCGKSA-N -1 1 405.882 4.143 20 0 HIADMM Cc1cccc(COc2cccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)c2)c1 ZINC000567098858 946242847 /nfs/dbraw/zinc/24/28/47/946242847.db2.gz FDXUESSDRYJNFG-UHFFFAOYSA-N -1 1 403.481 4.135 20 0 HIADMM O=C(Nc1nc2c(cccc2Cl)n1CC(F)(F)F)c1c(F)ccc([O-])c1F ZINC000567794569 946413673 /nfs/dbraw/zinc/41/36/73/946413673.db2.gz AVJRSVFGVLTOIW-UHFFFAOYSA-N -1 1 405.710 4.488 20 0 HIADMM CCc1ncc(C(=O)Nc2cc([O-])c(Br)cc2Br)s1 ZINC000569066955 946814642 /nfs/dbraw/zinc/81/46/42/946814642.db2.gz RDKOJECKNBRHNA-UHFFFAOYSA-N -1 1 406.099 4.188 20 0 HIADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1F ZINC000569163760 946828906 /nfs/dbraw/zinc/82/89/06/946828906.db2.gz OEKQNQDBIFSZFB-UHFFFAOYSA-N -1 1 410.225 4.167 20 0 HIADMM O=C(CCSc1nc(C(F)F)cc(=O)[n-]1)Nc1ccc(Br)cc1 ZINC000569173806 946831983 /nfs/dbraw/zinc/83/19/83/946831983.db2.gz FWTSXYCKCACRMH-UHFFFAOYSA-N -1 1 404.236 4.003 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c1 ZINC000569278641 946848628 /nfs/dbraw/zinc/84/86/28/946848628.db2.gz BOXOQARCCWDUAQ-UHFFFAOYSA-N -1 1 404.875 4.475 20 0 HIADMM O=C1[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000569394554 946865805 /nfs/dbraw/zinc/86/58/05/946865805.db2.gz CLKOUJKTSVUEKU-NSHDSACASA-N -1 1 405.348 4.036 20 0 HIADMM Cc1ccc(SCC(F)(F)F)c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000569752153 946980384 /nfs/dbraw/zinc/98/03/84/946980384.db2.gz JYAWCYBYLHOAPK-UHFFFAOYSA-N -1 1 419.446 4.077 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000569965727 947055902 /nfs/dbraw/zinc/05/59/02/947055902.db2.gz WLDIWBSRUABYBD-UHFFFAOYSA-N -1 1 404.289 4.015 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1)c1ccccc1C ZINC000570647154 947321396 /nfs/dbraw/zinc/32/13/96/947321396.db2.gz SWRJMVSPKIRSRH-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)c1 ZINC000571098293 947495974 /nfs/dbraw/zinc/49/59/74/947495974.db2.gz MRQIRCRGIFTIKL-UHFFFAOYSA-N -1 1 415.433 4.043 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C2CCC(c3ccccc3)CC2)n[n-]1 ZINC000571803911 947790424 /nfs/dbraw/zinc/79/04/24/947790424.db2.gz YLYKWXNZDDXRDW-ACBHZAAOSA-N -1 1 412.534 4.159 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C2CCC(c3ccccc3)CC2)[n-]1 ZINC000571803911 947790434 /nfs/dbraw/zinc/79/04/34/947790434.db2.gz YLYKWXNZDDXRDW-ACBHZAAOSA-N -1 1 412.534 4.159 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C2CCC(c3ccccc3)CC2)n1 ZINC000571803911 947790444 /nfs/dbraw/zinc/79/04/44/947790444.db2.gz YLYKWXNZDDXRDW-ACBHZAAOSA-N -1 1 412.534 4.159 20 0 HIADMM CC(C)(C)c1noc(CCC(=O)Nc2c([O-])cc(Br)cc2Cl)n1 ZINC000573945462 948330592 /nfs/dbraw/zinc/33/05/92/948330592.db2.gz CTGYPQSUCRHZDH-UHFFFAOYSA-N -1 1 402.676 4.060 20 0 HIADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CCCCC1 ZINC000574372846 948429194 /nfs/dbraw/zinc/42/91/94/948429194.db2.gz KXEXAGDNLAVTOL-CQSZACIVSA-N -1 1 422.497 4.464 20 0 HIADMM Cc1cccn(Cc2c(F)cccc2[N-]S(=O)(=O)c2cccc(C(C)C)c2)c1=O ZINC000574599743 948487479 /nfs/dbraw/zinc/48/74/79/948487479.db2.gz ORFMDTDLJULLHR-UHFFFAOYSA-N -1 1 414.502 4.268 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)c(Cl)c2)c1 ZINC000575830858 948728602 /nfs/dbraw/zinc/72/86/02/948728602.db2.gz YTPYSAHHJJDKGG-UHFFFAOYSA-N -1 1 424.950 4.268 20 0 HIADMM CC1=C[C@@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000435997097 861282120 /nfs/dbraw/zinc/28/21/20/861282120.db2.gz BRKXDGOTYQADGX-CYBMUJFWSA-N -1 1 422.909 4.318 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C)cc(Br)c3)cc2)o1 ZINC000436005322 861294313 /nfs/dbraw/zinc/29/43/13/861294313.db2.gz GYHVGRRSEQQTTK-UHFFFAOYSA-N -1 1 422.304 4.171 20 0 HIADMM COc1cc(C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000436026610 861319653 /nfs/dbraw/zinc/31/96/53/861319653.db2.gz JQCIPMAWDYKJIB-UHFFFAOYSA-N -1 1 420.296 4.247 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1nc(C2CCCCC2)no1 ZINC000436165535 861466556 /nfs/dbraw/zinc/46/65/56/861466556.db2.gz YCUBUDWBCVHUIE-SNVBAGLBSA-N -1 1 421.416 4.315 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)n1 ZINC000436202639 861502520 /nfs/dbraw/zinc/50/25/20/861502520.db2.gz FYIQJYJOXIFUNH-UHFFFAOYSA-N -1 1 401.576 4.110 20 0 HIADMM CCOC(=O)[C@@H](Sc1nc(CC)cc(=O)[n-]1)c1ccc(Br)cc1F ZINC000436200576 861500556 /nfs/dbraw/zinc/50/05/56/861500556.db2.gz XMZSMNPIVWAGCA-AWEZNQCLSA-N -1 1 415.284 4.043 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000436204071 861504509 /nfs/dbraw/zinc/50/45/09/861504509.db2.gz AIKDVONLASOVFG-OAHLLOKOSA-N -1 1 411.449 4.047 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2)c1C ZINC000006178238 845182191 /nfs/dbraw/zinc/18/21/91/845182191.db2.gz CFFILMUPDFNLHR-UZLBHIALSA-N -1 1 400.544 4.413 20 0 HIADMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000006406293 845196745 /nfs/dbraw/zinc/19/67/45/845196745.db2.gz JWJSEMFPFXPJDO-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1Cl ZINC000007055460 845243240 /nfs/dbraw/zinc/24/32/40/845243240.db2.gz FYYZHYOLOBJOPQ-UHFFFAOYSA-N -1 1 415.342 4.248 20 0 HIADMM O=C(Cc1sc(Nc2ccccc2)nc1[O-])Nc1ccc(SC(F)F)cc1 ZINC000007125869 845258635 /nfs/dbraw/zinc/25/86/35/845258635.db2.gz IBMQKPGUOQOTGW-CQSZACIVSA-N -1 1 407.467 4.440 20 0 HIADMM O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc([O-])cc1 ZINC000007361784 845315908 /nfs/dbraw/zinc/31/59/08/845315908.db2.gz YTFIDSBHXDSWFN-UHFFFAOYSA-N -1 1 402.479 4.069 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc(Cl)c1 ZINC000007409732 845324447 /nfs/dbraw/zinc/32/44/47/845324447.db2.gz RHVCNJYBIZLVFD-UHFFFAOYSA-N -1 1 402.907 4.126 20 0 HIADMM NC(=O)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000007940389 845451323 /nfs/dbraw/zinc/45/13/23/845451323.db2.gz RGRNREFJVLAUDM-UHFFFAOYSA-N -1 1 404.557 4.113 20 0 HIADMM O=c1cc(C2CC2)nc(SCc2nnc(-c3ccccc3Br)o2)[n-]1 ZINC000436257532 861569468 /nfs/dbraw/zinc/56/94/68/861569468.db2.gz DTYVBCNWDNZSHJ-UHFFFAOYSA-N -1 1 405.277 4.164 20 0 HIADMM COc1ccc([C@@H]2CCCCCN2C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000436266225 861577835 /nfs/dbraw/zinc/57/78/35/861577835.db2.gz ZTGKVUVDGWYBRW-IBGZPJMESA-N -1 1 413.543 4.304 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2F)cc1 ZINC000008244506 845496973 /nfs/dbraw/zinc/49/69/73/845496973.db2.gz TVFAGTMNAJZSET-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM CCOc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000008286109 845506955 /nfs/dbraw/zinc/50/69/55/845506955.db2.gz BVVVQLWLUHVJFT-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1Cc2ccccc2S1 ZINC000009905002 845603679 /nfs/dbraw/zinc/60/36/79/845603679.db2.gz FYFPTGWJKCFQIG-HXUWFJFHSA-N -1 1 410.520 4.143 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=S)Nc2cccc(Br)c2)CC1 ZINC000010846249 845715142 /nfs/dbraw/zinc/71/51/42/845715142.db2.gz YVGICYRBXVBGKU-UHFFFAOYSA-N -1 1 419.344 4.446 20 0 HIADMM Cc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1NC(=O)c1ccco1 ZINC000011285527 845777042 /nfs/dbraw/zinc/77/70/42/845777042.db2.gz NTLNZIHUSTZBLL-UHFFFAOYSA-N -1 1 419.389 4.009 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3)cc2)ccc1F ZINC000011595316 845815978 /nfs/dbraw/zinc/81/59/78/845815978.db2.gz DZKGSZHIJQJTDN-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(SC)cc2)cc1 ZINC000012039302 845849149 /nfs/dbraw/zinc/84/91/49/845849149.db2.gz WZOCFHICYCIBND-UHFFFAOYSA-N -1 1 400.529 4.367 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)cc1 ZINC000012650072 845882468 /nfs/dbraw/zinc/88/24/68/845882468.db2.gz KFNURNFZKWEXJO-AWEZNQCLSA-N -1 1 402.545 4.281 20 0 HIADMM Cc1nc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc2)cs1 ZINC000013032128 845903669 /nfs/dbraw/zinc/90/36/69/845903669.db2.gz OBQHKFHFMLGWCZ-UHFFFAOYSA-N -1 1 408.888 4.271 20 0 HIADMM COc1cc2c(cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)oc1ccccc12 ZINC000013362424 845914904 /nfs/dbraw/zinc/91/49/04/845914904.db2.gz GMGQFTZOLLUTIT-UHFFFAOYSA-N -1 1 415.398 4.233 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000014361613 845940781 /nfs/dbraw/zinc/94/07/81/845940781.db2.gz KPYDXCZEEVNCQJ-UHFFFAOYSA-N -1 1 421.526 4.293 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000014413678 845948678 /nfs/dbraw/zinc/94/86/78/845948678.db2.gz KZEVWNUBYATRSL-UHFFFAOYSA-N -1 1 420.538 4.038 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000015245124 846023382 /nfs/dbraw/zinc/02/33/82/846023382.db2.gz GJGRWEMLLGJFKE-UHFFFAOYSA-N -1 1 406.935 4.175 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000015352480 846039127 /nfs/dbraw/zinc/03/91/27/846039127.db2.gz VQWQWNYQZNOQPV-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM COc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC000015352598 846039357 /nfs/dbraw/zinc/03/93/57/846039357.db2.gz FLYOJVNZKSEPDG-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CCc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000015381762 846042297 /nfs/dbraw/zinc/04/22/97/846042297.db2.gz CQXHFGYFIHOEFD-UHFFFAOYSA-N -1 1 408.523 4.322 20 0 HIADMM CC[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000015539714 846060324 /nfs/dbraw/zinc/06/03/24/846060324.db2.gz OIVKZWYHMFDYQM-GOSISDBHSA-N -1 1 408.523 4.411 20 0 HIADMM C[C@H](c1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015542484 846060869 /nfs/dbraw/zinc/06/08/69/846060869.db2.gz JNVLZHJFENOOEY-MRXNPFEDSA-N -1 1 412.486 4.460 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCC3)c2)cc1 ZINC000015593346 846069614 /nfs/dbraw/zinc/06/96/14/846069614.db2.gz PDAPQYKCDNHYGV-UHFFFAOYSA-N -1 1 422.934 4.212 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@H]1CC=CCC1 ZINC000015709304 846086480 /nfs/dbraw/zinc/08/64/80/846086480.db2.gz SZNPQMOHVSURMT-AWEZNQCLSA-N -1 1 420.918 4.444 20 0 HIADMM Cc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000015735878 846088105 /nfs/dbraw/zinc/08/81/05/846088105.db2.gz ZHHGNQUFKIPMNM-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccc([O-])cc1 ZINC000015813993 846095179 /nfs/dbraw/zinc/09/51/79/846095179.db2.gz SDKCTTSRVZAPIQ-UHFFFAOYSA-N -1 1 424.428 4.345 20 0 HIADMM CCOc1ccc(C(=O)N[N-]C(=O)c2oc3c(ccc4ccccc34)c2C)cc1OC ZINC000016060966 846118009 /nfs/dbraw/zinc/11/80/09/846118009.db2.gz JCOYUGBUJZZWAX-UHFFFAOYSA-N -1 1 418.449 4.377 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1F ZINC000016064261 846119048 /nfs/dbraw/zinc/11/90/48/846119048.db2.gz WXODHTPAKIVAAH-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM COc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000016505654 846179503 /nfs/dbraw/zinc/17/95/03/846179503.db2.gz AIFDFNYXUMWPEQ-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccccc3)cc2)cc1C ZINC000017298643 846241651 /nfs/dbraw/zinc/24/16/51/846241651.db2.gz BXZCYTPLFHCQGP-UHFFFAOYSA-N -1 1 422.550 4.467 20 0 HIADMM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1OC ZINC000017319704 846245890 /nfs/dbraw/zinc/24/58/90/846245890.db2.gz HPOQEMVOHRLQPP-UHFFFAOYSA-N -1 1 414.321 4.391 20 0 HIADMM C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000017323699 846247258 /nfs/dbraw/zinc/24/72/58/846247258.db2.gz IBMAIBQVFBAPCW-INIZCTEOSA-N -1 1 412.486 4.046 20 0 HIADMM Cc1ccc(CSCCNC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000018202298 846308620 /nfs/dbraw/zinc/30/86/20/846308620.db2.gz GXPKJDRLBBKQBN-UHFFFAOYSA-N -1 1 412.584 4.274 20 0 HIADMM Cc1ccc(-n2c(SCC(=O)c3ccc([O-])cc3)nnc2N2CCCCC2)cc1 ZINC000018595457 846334652 /nfs/dbraw/zinc/33/46/52/846334652.db2.gz WDOJOZAKPQIUML-UHFFFAOYSA-N -1 1 408.527 4.247 20 0 HIADMM COc1ccc(-c2nc(C)c(C(=O)OCc3cc(=O)oc4cc([O-])ccc34)s2)cc1 ZINC000019619147 846370439 /nfs/dbraw/zinc/37/04/39/846370439.db2.gz ASGGTVMFZVVZAU-UHFFFAOYSA-N -1 1 423.446 4.296 20 0 HIADMM O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000021207727 846417387 /nfs/dbraw/zinc/41/73/87/846417387.db2.gz BSQGDIUCXQQRJQ-IBGZPJMESA-N -1 1 405.454 4.098 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C(F)(F)F ZINC000021305839 846426521 /nfs/dbraw/zinc/42/65/21/846426521.db2.gz BKHDLBMOLBRHNK-UHFFFAOYSA-N -1 1 413.204 4.295 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3cccc(Cl)c3C)s2)cc1 ZINC000021863905 846504456 /nfs/dbraw/zinc/50/44/56/846504456.db2.gz USTLPFDHDMZJSJ-MRXNPFEDSA-N -1 1 403.891 4.096 20 0 HIADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000022274475 846552345 /nfs/dbraw/zinc/55/23/45/846552345.db2.gz CBCPJEFJECJQCH-UHFFFAOYSA-N -1 1 418.824 4.069 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccnn3C(C)C)cc2)cc1C ZINC000022290287 846554586 /nfs/dbraw/zinc/55/45/86/846554586.db2.gz BUQQYNDREIIOMF-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1Cl ZINC000022623963 846595707 /nfs/dbraw/zinc/59/57/07/846595707.db2.gz OWTVKZLCJFBPEB-CQSZACIVSA-N -1 1 424.950 4.458 20 0 HIADMM O=C(CCc1cccs1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000023146253 846664148 /nfs/dbraw/zinc/66/41/48/846664148.db2.gz UTJMVSYRHGEWBP-UHFFFAOYSA-N -1 1 422.478 4.398 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000023445085 846703029 /nfs/dbraw/zinc/70/30/29/846703029.db2.gz ZRXRJVBGZCSELN-INIZCTEOSA-N -1 1 410.543 4.316 20 0 HIADMM CN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000023643981 846735282 /nfs/dbraw/zinc/73/52/82/846735282.db2.gz ZKGVDBKRCSOPPD-UHFFFAOYSA-N -1 1 420.943 4.475 20 0 HIADMM COc1ccc([C@H](C)NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)cc1F ZINC000024079034 846785530 /nfs/dbraw/zinc/78/55/30/846785530.db2.gz KGDNGEANSFPNMF-AWEZNQCLSA-N -1 1 414.506 4.331 20 0 HIADMM COc1ccc(CN(C)Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)cc1 ZINC000024170213 846796405 /nfs/dbraw/zinc/79/64/05/846796405.db2.gz GTGLMEWJRFXKAE-UHFFFAOYSA-N -1 1 409.486 4.431 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCOc4ccccc43)cc2)c1C ZINC000025312230 846957442 /nfs/dbraw/zinc/95/74/42/846957442.db2.gz AEYHUBHLAVNFEM-UHFFFAOYSA-N -1 1 422.506 4.143 20 0 HIADMM CCCCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000025347213 846964462 /nfs/dbraw/zinc/96/44/62/846964462.db2.gz GJQLIXMACJIARL-INIZCTEOSA-N -1 1 404.532 4.195 20 0 HIADMM O=C(Nc1cnc2ccccc2c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025532211 846993216 /nfs/dbraw/zinc/99/32/16/846993216.db2.gz PJNAIRHVJXBCEL-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000026534337 847164914 /nfs/dbraw/zinc/16/49/14/847164914.db2.gz YLHPGHUGYWZNFG-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000026572874 847172601 /nfs/dbraw/zinc/17/26/01/847172601.db2.gz SWNDLQPYYXADHS-UHFFFAOYSA-N -1 1 416.528 4.023 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cccc2c[nH]nc21 ZINC000026871359 847212435 /nfs/dbraw/zinc/21/24/35/847212435.db2.gz XWBPRKBBRJMVMM-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1OC ZINC000027128271 847252464 /nfs/dbraw/zinc/25/24/64/847252464.db2.gz ZRVYBMKDGYSZLE-NRFANRHFSA-N -1 1 424.522 4.377 20 0 HIADMM O=C(Nc1ccccc1N1CCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000028008549 847374853 /nfs/dbraw/zinc/37/48/53/847374853.db2.gz KSRQMXBZPFPYLJ-UHFFFAOYSA-N -1 1 421.522 4.340 20 0 HIADMM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1 ZINC000028242051 847398868 /nfs/dbraw/zinc/39/88/68/847398868.db2.gz FWPMJNUMAARKRB-YRNVUSSQSA-N -1 1 424.316 4.135 20 0 HIADMM Cc1ccc(F)c(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000028323174 847406056 /nfs/dbraw/zinc/40/60/56/847406056.db2.gz VCOJOGHDCBRIIF-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3CC)cc2)cc1 ZINC000028490632 847426496 /nfs/dbraw/zinc/42/64/96/847426496.db2.gz NZUMYSYBVFOQHK-LJQANCHMSA-N -1 1 416.543 4.291 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]3CC)cc2)cc1 ZINC000028490872 847426600 /nfs/dbraw/zinc/42/66/00/847426600.db2.gz OKIDSTGPLCVISM-LJQANCHMSA-N -1 1 416.543 4.291 20 0 HIADMM COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000028700930 847450862 /nfs/dbraw/zinc/45/08/62/847450862.db2.gz UMBVPTFDXLWFRX-UHFFFAOYSA-N -1 1 424.522 4.294 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cccs3)ccc2C)c1 ZINC000028700925 847451294 /nfs/dbraw/zinc/45/12/94/847451294.db2.gz JRRAEXUBKGLDEX-UHFFFAOYSA-N -1 1 400.525 4.347 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCc3ccccc3C2)c1 ZINC000028929924 847480667 /nfs/dbraw/zinc/48/06/67/847480667.db2.gz WPDNBHDUYQDCGX-UHFFFAOYSA-N -1 1 420.534 4.303 20 0 HIADMM Cc1nc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cs1 ZINC000029001759 847491254 /nfs/dbraw/zinc/49/12/54/847491254.db2.gz SBRKHLDFAWSJRB-UHFFFAOYSA-N -1 1 421.931 4.087 20 0 HIADMM CCOc1cc2c(cc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1)O[C@H](C)C2 ZINC000029129544 847510551 /nfs/dbraw/zinc/51/05/51/847510551.db2.gz XAYVUKCMTASXTI-CQSZACIVSA-N -1 1 424.526 4.277 20 0 HIADMM CN(CC1CCCCC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000029289300 847540809 /nfs/dbraw/zinc/54/08/09/847540809.db2.gz RPXMZSCJTUJPEW-UHFFFAOYSA-N -1 1 422.497 4.418 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3CCCC3)cc2)ccc1F ZINC000029343900 847548792 /nfs/dbraw/zinc/54/87/92/847548792.db2.gz RJLGTBSTVFNNOP-UHFFFAOYSA-N -1 1 404.507 4.245 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCn4cccc4[C@H]3C)cc2)c1 ZINC000029380874 847556375 /nfs/dbraw/zinc/55/63/75/847556375.db2.gz PJDVPOSWNJWSEF-GOSISDBHSA-N -1 1 423.538 4.123 20 0 HIADMM Cc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)sc1C ZINC000029579734 847583319 /nfs/dbraw/zinc/58/33/19/847583319.db2.gz JEVAEGBNEXEHCR-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cn[nH]c2)c1 ZINC000029692262 847600579 /nfs/dbraw/zinc/60/05/79/847600579.db2.gz MRHPWYAWVOWJAL-UHFFFAOYSA-N -1 1 412.515 4.069 20 0 HIADMM CCCc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)n[nH]1 ZINC000029713467 847607016 /nfs/dbraw/zinc/60/70/16/847607016.db2.gz CFQIUHKMCIXEMC-UHFFFAOYSA-N -1 1 412.515 4.032 20 0 HIADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000030381648 847708448 /nfs/dbraw/zinc/70/84/48/847708448.db2.gz BDYHQVISQOWRQJ-YWZLYKJASA-N -1 1 404.507 4.277 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CC2CCCCC2)cc1 ZINC000030650754 847752487 /nfs/dbraw/zinc/75/24/87/847752487.db2.gz QUDUGTZPKBQCNQ-UHFFFAOYSA-N -1 1 402.564 4.435 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC3CCCCC3)c2)c1 ZINC000030650761 847752548 /nfs/dbraw/zinc/75/25/48/847752548.db2.gz JIZHNMDIUAHASF-UHFFFAOYSA-N -1 1 400.544 4.448 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3N(C)C)cc2)cc1C ZINC000030668928 847755455 /nfs/dbraw/zinc/75/54/55/847755455.db2.gz JPGOTHWZXXLYTO-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3N(C)C)cc2)c1 ZINC000030669094 847755559 /nfs/dbraw/zinc/75/55/59/847755559.db2.gz ITWVXXSEJBMTAD-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3cc4ccccc4cc3[O-])n2)n[nH]c1=S ZINC000030688444 847759393 /nfs/dbraw/zinc/75/93/93/847759393.db2.gz IOBQXDBPPVGNAV-UHFFFAOYSA-N -1 1 423.523 4.285 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3ccccc3OC(F)F)n2)n[n-]c1=S ZINC000030689159 847759918 /nfs/dbraw/zinc/75/99/18/847759918.db2.gz JZQCOTIIUOFNOT-UHFFFAOYSA-N -1 1 423.470 4.028 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@H]1CC1(Cl)Cl ZINC000030700081 847761819 /nfs/dbraw/zinc/76/18/19/847761819.db2.gz FPZRUFJBOGRTKQ-CQSZACIVSA-N -1 1 419.717 4.273 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@@H]1CC1(Cl)Cl ZINC000030700077 847762014 /nfs/dbraw/zinc/76/20/14/847762014.db2.gz FPZRUFJBOGRTKQ-AWEZNQCLSA-N -1 1 419.717 4.273 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c1 ZINC000436510852 861830371 /nfs/dbraw/zinc/83/03/71/861830371.db2.gz VGPORAGZRRDXKZ-UHFFFAOYSA-N -1 1 410.373 4.368 20 0 HIADMM O=C(NC[C@@H]1CCCC(F)(F)C1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436519318 861833332 /nfs/dbraw/zinc/83/33/32/861833332.db2.gz WGFNUMCVDJOKHL-DNVCBOLYSA-N -1 1 416.468 4.092 20 0 HIADMM COc1cc(-c2noc(-c3ccc(OC(C)(C)C)cn3)n2)cc(Br)c1[O-] ZINC000436521522 861833836 /nfs/dbraw/zinc/83/38/36/861833836.db2.gz NGJSIRMVWDWKDZ-UHFFFAOYSA-N -1 1 420.263 4.453 20 0 HIADMM CCOc1ccccc1C1=CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436534173 861839421 /nfs/dbraw/zinc/83/94/21/861839421.db2.gz ZWJWBTKVPZTIOH-UHFFFAOYSA-N -1 1 402.288 4.483 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1 ZINC000031382998 847872791 /nfs/dbraw/zinc/87/27/91/847872791.db2.gz FYTOPGYBXFFJCI-UWJYYQICSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCCC[C@H]3C)c2)c1 ZINC000031382828 847873033 /nfs/dbraw/zinc/87/30/33/847873033.db2.gz CXBWEAMUWUVHSI-UTKZUKDTSA-N -1 1 400.544 4.447 20 0 HIADMM CC(C)c1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c([O-])c1 ZINC000436536653 861840440 /nfs/dbraw/zinc/84/04/40/861840440.db2.gz DQRRLVDLXDSMMR-MUUNZHRXSA-N -1 1 401.528 4.196 20 0 HIADMM O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436551663 861847631 /nfs/dbraw/zinc/84/76/31/861847631.db2.gz QLVNQDAXXGUWJQ-UHFFFAOYSA-N -1 1 411.260 4.329 20 0 HIADMM CC[C@H](C)N(C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436542077 861843366 /nfs/dbraw/zinc/84/33/66/861843366.db2.gz CQARUISFSFCDDP-LBPRGKRZSA-N -1 1 405.292 4.278 20 0 HIADMM Cc1cc(C)n(-c2ccccc2NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)n1 ZINC000031600085 847915194 /nfs/dbraw/zinc/91/51/94/847915194.db2.gz XRZLJCHPCMRDBB-UHFFFAOYSA-N -1 1 418.526 4.357 20 0 HIADMM Cc1cc(C)n(-c2ccccc2NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)n1 ZINC000031600101 847915391 /nfs/dbraw/zinc/91/53/91/847915391.db2.gz DPWIGYQFNFSJQD-UHFFFAOYSA-N -1 1 418.526 4.357 20 0 HIADMM O=c1nc(Cn2nnc(-c3ccccc3)n2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000031625590 847920123 /nfs/dbraw/zinc/92/01/23/847920123.db2.gz JXTPXQSVDSFSPU-UHFFFAOYSA-N -1 1 420.885 4.007 20 0 HIADMM O=C(Nc1ccc(C(=O)N(CC2CC2)CC2CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436543933 861844545 /nfs/dbraw/zinc/84/45/45/861844545.db2.gz AJYNTFQLDZXOLM-UHFFFAOYSA-N -1 1 400.425 4.185 20 0 HIADMM CCC(CC)NC(=O)[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])c2ccccc2O1 ZINC000436544856 861844633 /nfs/dbraw/zinc/84/46/33/861844633.db2.gz QKEIETYNVSKJKA-HSZRJFAPSA-N -1 1 418.493 4.258 20 0 HIADMM O=S(=O)([N-]c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc2ccccc2c1 ZINC000031721814 847938308 /nfs/dbraw/zinc/93/83/08/847938308.db2.gz ROQZSGBYGWDLJJ-UHFFFAOYSA-N -1 1 415.536 4.357 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCCCC[C@H]3C)c([O-])c2)c1 ZINC000436549432 861846669 /nfs/dbraw/zinc/84/66/69/861846669.db2.gz QFOMJIUAIAMOHY-OAHLLOKOSA-N -1 1 412.486 4.066 20 0 HIADMM O=C(Nc1ccc(F)cc1OC1CCOCC1)c1cc(Br)ccc1[O-] ZINC000436548962 861846728 /nfs/dbraw/zinc/84/67/28/861846728.db2.gz VUJAAVRDMHDCLZ-UHFFFAOYSA-N -1 1 410.239 4.104 20 0 HIADMM O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cc(F)ccc1[O-] ZINC000436550226 861847972 /nfs/dbraw/zinc/84/79/72/861847972.db2.gz XGUSJADGVCFBOE-UHFFFAOYSA-N -1 1 421.396 4.036 20 0 HIADMM CC[C@H](C)c1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436567050 861855166 /nfs/dbraw/zinc/85/51/66/861855166.db2.gz RPMGMPJDJCWAJD-YWZLYKJASA-N -1 1 418.497 4.092 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCC2CCCCC2)cc1 ZINC000031922946 847965261 /nfs/dbraw/zinc/96/52/61/847965261.db2.gz ZKWCYYWLBUQCIK-UHFFFAOYSA-N -1 1 402.564 4.483 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(C(C)C)C3CCC3)c([O-])c2)c1 ZINC000436559837 861851565 /nfs/dbraw/zinc/85/15/65/861851565.db2.gz BUMFPAQEILIWPQ-UHFFFAOYSA-N -1 1 412.486 4.065 20 0 HIADMM CC[C@@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1ccncc1 ZINC000436561461 861852095 /nfs/dbraw/zinc/85/20/95/861852095.db2.gz JANUZFVYTLTIAE-LJQANCHMSA-N -1 1 411.408 4.199 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3SC3CCCC3)ccc21 ZINC000032094476 847986917 /nfs/dbraw/zinc/98/69/17/847986917.db2.gz OWGJCWLAIYUROP-UHFFFAOYSA-N -1 1 416.568 4.431 20 0 HIADMM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1Cl ZINC000032097821 847986954 /nfs/dbraw/zinc/98/69/54/847986954.db2.gz ZRGUMHDFHSVXOK-UHFFFAOYSA-N -1 1 417.289 4.435 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000436562623 861852354 /nfs/dbraw/zinc/85/23/54/861852354.db2.gz LASWECULJAEHCR-IVZQSRNASA-N -1 1 409.873 4.290 20 0 HIADMM O=C(CC[C@@H]1CCCO1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000032144894 847987783 /nfs/dbraw/zinc/98/77/83/847987783.db2.gz QKTVETXVTUCTDR-KRWDZBQOSA-N -1 1 408.907 4.039 20 0 HIADMM O=C(CC[C@H]1CCCO1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000032144898 847988236 /nfs/dbraw/zinc/98/82/36/847988236.db2.gz QKTVETXVTUCTDR-QGZVFWFLSA-N -1 1 408.907 4.039 20 0 HIADMM O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436564252 861853299 /nfs/dbraw/zinc/85/32/99/861853299.db2.gz RDESJVRYHSAUOT-NRFANRHFSA-N -1 1 416.477 4.114 20 0 HIADMM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc3ccccc3c2[O-])c1C ZINC000436564649 861853336 /nfs/dbraw/zinc/85/33/36/861853336.db2.gz QQVJVQUNPDZIIZ-HXUWFJFHSA-N -1 1 406.507 4.316 20 0 HIADMM C[C@H]1C[C@H](C)N(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C1 ZINC000436565796 861854219 /nfs/dbraw/zinc/85/42/19/861854219.db2.gz WHZAJLQTZXZGKH-STQMWFEESA-N -1 1 417.303 4.278 20 0 HIADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C1 ZINC000436565794 861854265 /nfs/dbraw/zinc/85/42/65/861854265.db2.gz WHZAJLQTZXZGKH-OLZOCXBDSA-N -1 1 417.303 4.278 20 0 HIADMM CCOc1cc(-c2noc(-c3cccnc3OCC)n2)cc(Br)c1[O-] ZINC000436568819 861854928 /nfs/dbraw/zinc/85/49/28/861854928.db2.gz ZQKGORKPVGMLOF-UHFFFAOYSA-N -1 1 406.236 4.064 20 0 HIADMM COC(=O)CCSCc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436569210 861855079 /nfs/dbraw/zinc/85/50/79/861855079.db2.gz BCFRHJHDVYKIQR-UHFFFAOYSA-N -1 1 424.316 4.203 20 0 HIADMM C[C@H]1C[C@@H]1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000032393674 848018274 /nfs/dbraw/zinc/01/82/74/848018274.db2.gz YDRQJRFECSNSGM-WCQYABFASA-N -1 1 413.326 4.180 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000032419158 848022944 /nfs/dbraw/zinc/02/29/44/848022944.db2.gz ZRAQCOHFVNTNKJ-DLBZAZTESA-N -1 1 402.564 4.337 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436574195 861856794 /nfs/dbraw/zinc/85/67/94/861856794.db2.gz FVBZJJPSLMDTCF-HXUWFJFHSA-N -1 1 422.431 4.380 20 0 HIADMM CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)c1ccc2ccccc2c1[O-] ZINC000436574328 861857170 /nfs/dbraw/zinc/85/71/70/861857170.db2.gz KQQOZDQHZKKJKV-HNNXBMFYSA-N -1 1 419.399 4.076 20 0 HIADMM Cc1cnc(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])o1 ZINC000436579435 861858661 /nfs/dbraw/zinc/85/86/61/861858661.db2.gz ZLKWTORFYPANRW-UHFFFAOYSA-N -1 1 420.252 4.178 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C(F)(F)F)cc1C ZINC000032591942 848051214 /nfs/dbraw/zinc/05/12/14/848051214.db2.gz HTYRZVPBUSHADQ-UHFFFAOYSA-N -1 1 411.405 4.009 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)cc1Cl ZINC000032589795 848051348 /nfs/dbraw/zinc/05/13/48/848051348.db2.gz PSQMMXOKSJNYRF-UHFFFAOYSA-N -1 1 422.915 4.463 20 0 HIADMM C[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1)n1cccn1 ZINC000032600357 848052368 /nfs/dbraw/zinc/05/23/68/848052368.db2.gz LLHAEUNDUOULFB-MRXNPFEDSA-N -1 1 420.494 4.037 20 0 HIADMM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000032631392 848056949 /nfs/dbraw/zinc/05/69/49/848056949.db2.gz HLEQYEUYAQWTFS-OAQYLSRUSA-N -1 1 420.490 4.304 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CSC(F)(F)F)ccc2C)c1 ZINC000032672255 848061223 /nfs/dbraw/zinc/06/12/23/848061223.db2.gz LVYRSLFZCGCMMI-UHFFFAOYSA-N -1 1 418.462 4.296 20 0 HIADMM CC(=O)C[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436600318 861864256 /nfs/dbraw/zinc/86/42/56/861864256.db2.gz GITUVXMHOCJBAN-JTQLQIEISA-N -1 1 409.269 4.049 20 0 HIADMM O=C(COC(c1ccccc1)c1ccccc1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000032882889 848088879 /nfs/dbraw/zinc/08/88/79/848088879.db2.gz QRNKRMVDFSWAED-UHFFFAOYSA-N -1 1 416.429 4.348 20 0 HIADMM COc1c(C)ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1C ZINC000033049320 848103586 /nfs/dbraw/zinc/10/35/86/848103586.db2.gz MCBLWMUWTRJOTP-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1[N-]S(C)(=O)=O ZINC000033069560 848104909 /nfs/dbraw/zinc/10/49/09/848104909.db2.gz FERXLTBZBGDCAY-UHFFFAOYSA-N -1 1 402.516 4.367 20 0 HIADMM COc1cc(NC(=O)c2sccc2-c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000033069831 848105162 /nfs/dbraw/zinc/10/51/62/848105162.db2.gz AKDMAWZMQIMOEV-UHFFFAOYSA-N -1 1 402.497 4.048 20 0 HIADMM O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436609818 861868327 /nfs/dbraw/zinc/86/83/27/861868327.db2.gz XHTCNWLKSWNMTF-FQEVSTJZSA-N -1 1 408.885 4.120 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1cccc(C(F)(F)F)c1 ZINC000036760509 848161042 /nfs/dbraw/zinc/16/10/42/848161042.db2.gz IDRIFHZWRVXFFB-UHFFFAOYSA-N -1 1 408.401 4.480 20 0 HIADMM O=C(Nc1ccc2scnc2c1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436629003 861874955 /nfs/dbraw/zinc/87/49/55/861874955.db2.gz HMIJNKMIMIWYLG-LJQANCHMSA-N -1 1 417.490 4.398 20 0 HIADMM Cc1nc(NC(=O)C(=O)c2ccc([O-])cc2)sc1Cc1ccc(Cl)cc1F ZINC000436636961 861877709 /nfs/dbraw/zinc/87/77/09/861877709.db2.gz TUYCRTPZTAILKF-UHFFFAOYSA-N -1 1 404.850 4.362 20 0 HIADMM Cc1ccsc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000041594440 848236212 /nfs/dbraw/zinc/23/62/12/848236212.db2.gz CSGDXUIBWNIRHA-UHFFFAOYSA-N -1 1 408.451 4.388 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cccc2ccccc21 ZINC000041837847 848256225 /nfs/dbraw/zinc/25/62/25/848256225.db2.gz IXEDORIAGRAQKU-UHFFFAOYSA-N -1 1 400.500 4.176 20 0 HIADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000436676242 861891604 /nfs/dbraw/zinc/89/16/04/861891604.db2.gz YJTAWBMOGPNUJQ-OAHLLOKOSA-N -1 1 403.438 4.096 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2CCCc3occc32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436679046 861892396 /nfs/dbraw/zinc/89/23/96/861892396.db2.gz JCVLKCZNMOGEOW-GOSISDBHSA-N -1 1 412.392 4.323 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccn(-c3ccccc3)n2)c1 ZINC000043695531 848450949 /nfs/dbraw/zinc/45/09/49/848450949.db2.gz FNODDARCIKLTMX-UHFFFAOYSA-N -1 1 404.499 4.131 20 0 HIADMM Cc1ccc(NC(=S)NC2CCCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000044081192 848512022 /nfs/dbraw/zinc/51/20/22/848512022.db2.gz VJOZNBHZVXBIMN-UHFFFAOYSA-N -1 1 403.573 4.415 20 0 HIADMM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000436732014 861915863 /nfs/dbraw/zinc/91/58/63/861915863.db2.gz BLBFDWNVZZEXHH-LBPRGKRZSA-N -1 1 405.292 4.069 20 0 HIADMM C[C@H](OCCCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000045159320 848642580 /nfs/dbraw/zinc/64/25/80/848642580.db2.gz CZDZKQGGYLNLRN-SFHVURJKSA-N -1 1 410.514 4.164 20 0 HIADMM CC(C)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000045470506 848682834 /nfs/dbraw/zinc/68/28/34/848682834.db2.gz ZTCGDTOKKUTJDX-UHFFFAOYSA-N -1 1 414.449 4.234 20 0 HIADMM O=C(NC[C@@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-])Nc1ccccc1 ZINC000436752530 861933775 /nfs/dbraw/zinc/93/37/75/861933775.db2.gz BLKMVLQAPRDGCG-FQEVSTJZSA-N -1 1 403.482 4.362 20 0 HIADMM Cc1cc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)ccc1F ZINC000045652798 848708346 /nfs/dbraw/zinc/70/83/46/848708346.db2.gz LORDVDLERJDYTL-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM C[C@H](OCCCNC(=O)CCn1c(=S)[n-]nc1-c1cccs1)c1ccccc1 ZINC000045872198 848744180 /nfs/dbraw/zinc/74/41/80/848744180.db2.gz NANIFOSTGSRZQL-HNNXBMFYSA-N -1 1 416.572 4.343 20 0 HIADMM O=C(Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1)c1ccncc1 ZINC000436753833 861938229 /nfs/dbraw/zinc/93/82/29/861938229.db2.gz WBAPCUWSIQSEAF-UHFFFAOYSA-N -1 1 401.344 4.311 20 0 HIADMM O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436757153 861943480 /nfs/dbraw/zinc/94/34/80/861943480.db2.gz HBINUFXPUAKVPS-GOSISDBHSA-N -1 1 417.490 4.398 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2ccc3n[nH]cc3c2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436757995 861944301 /nfs/dbraw/zinc/94/43/01/861944301.db2.gz KDHHRDPZHAABGK-UHFFFAOYSA-N -1 1 408.364 4.051 20 0 HIADMM COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436760630 861950741 /nfs/dbraw/zinc/95/07/41/861950741.db2.gz QWPMXCOJLMEYFL-UHFFFAOYSA-N -1 1 404.466 4.045 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000436762743 861950874 /nfs/dbraw/zinc/95/08/74/861950874.db2.gz GQHQAXRZHUBQEA-INIZCTEOSA-N -1 1 417.330 4.226 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000046588384 848880990 /nfs/dbraw/zinc/88/09/90/848880990.db2.gz ULXFMXREZFHJCV-UHFFFAOYSA-N -1 1 400.481 4.004 20 0 HIADMM O=C(COc1cccc(Cl)c1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611739 848885984 /nfs/dbraw/zinc/88/59/84/848885984.db2.gz NODWDXRCVQEVSZ-UHFFFAOYSA-N -1 1 416.886 4.158 20 0 HIADMM CN(CCCc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000046639449 848893900 /nfs/dbraw/zinc/89/39/00/848893900.db2.gz BTNCEUFVYNUPAG-UHFFFAOYSA-N -1 1 408.523 4.192 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(COCc3ccco3)c2)c(=O)[n-]1 ZINC000046684155 848909494 /nfs/dbraw/zinc/90/94/94/848909494.db2.gz FBIDNCOYTFLENP-UHFFFAOYSA-N -1 1 413.499 4.094 20 0 HIADMM N#C[C@@H](C(=O)Cc1ccc2ccccc2c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707344 848914973 /nfs/dbraw/zinc/91/49/73/848914973.db2.gz AEGMPPXENMDIBQ-SFHVURJKSA-N -1 1 413.502 4.436 20 0 HIADMM COCc1ccccc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119778 848988411 /nfs/dbraw/zinc/98/84/11/848988411.db2.gz YECLSBKZBZBZKJ-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436776907 861969861 /nfs/dbraw/zinc/96/98/61/861969861.db2.gz MMJSGALIQGLZIL-MRXNPFEDSA-N -1 1 409.404 4.241 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000047328153 849026861 /nfs/dbraw/zinc/02/68/61/849026861.db2.gz ZQHHJHMYAIQIRX-QHCPKHFHSA-N -1 1 418.541 4.320 20 0 HIADMM Cc1c(C)c(NC(=O)c2c(O)cccc2F)ccc1NC(=O)c1c([O-])cccc1F ZINC000436781319 861973889 /nfs/dbraw/zinc/97/38/89/861973889.db2.gz BTNDQELMOIMFKF-UHFFFAOYSA-N -1 1 412.392 4.497 20 0 HIADMM O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000048138713 849175676 /nfs/dbraw/zinc/17/56/76/849175676.db2.gz FDEWZPOOIDNJLE-UHFFFAOYSA-N -1 1 411.477 4.258 20 0 HIADMM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3ccc(C(=O)NC4CC4)cc3)ccc21 ZINC000048232359 849195588 /nfs/dbraw/zinc/19/55/88/849195588.db2.gz BJHOZTIVERKALO-UHFFFAOYSA-N -1 1 419.506 4.025 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N(C)C)c(Cl)c2)c1 ZINC000048243186 849196386 /nfs/dbraw/zinc/19/63/86/849196386.db2.gz BEVOVXZMRBMQQX-UHFFFAOYSA-N -1 1 401.923 4.274 20 0 HIADMM Cc1sc(C2(NC(=O)C(=O)c3ccc([O-])cc3)CCC2)nc1-c1ccccc1F ZINC000436805324 861994082 /nfs/dbraw/zinc/99/40/82/861994082.db2.gz RPYLZLCBUUUNAT-UHFFFAOYSA-N -1 1 410.470 4.342 20 0 HIADMM N#C[C@@H](C(=O)CCc1cccc(Cl)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817392 849271372 /nfs/dbraw/zinc/27/13/72/849271372.db2.gz VZBAEGDXOBNTBI-HNNXBMFYSA-N -1 1 411.914 4.326 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1Br)c1cc(Cl)sc1Cl ZINC000048867201 849276941 /nfs/dbraw/zinc/27/69/41/849276941.db2.gz DSLHHOOXQIBTTL-UHFFFAOYSA-N -1 1 401.134 4.296 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N(CCO)Cc1cc(Br)cs1 ZINC000436817495 862000435 /nfs/dbraw/zinc/00/04/35/862000435.db2.gz IBVWPPOFYDZFDY-UHFFFAOYSA-N -1 1 406.301 4.004 20 0 HIADMM CC(C)COc1ccccc1CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000050123507 849355797 /nfs/dbraw/zinc/35/57/97/849355797.db2.gz CSMIQHAKWPAPQX-UHFFFAOYSA-N -1 1 410.514 4.232 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC(C)(C)C1 ZINC000436831199 862012266 /nfs/dbraw/zinc/01/22/66/862012266.db2.gz DZDUBVBJHMHFDP-ZDUSSCGKSA-N -1 1 402.441 4.431 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C(C3CC3)C3CC3)c2)c1 ZINC000050682405 849403316 /nfs/dbraw/zinc/40/33/16/849403316.db2.gz CCNINERSYLSEBE-UHFFFAOYSA-N -1 1 412.555 4.365 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(Oc2ccncc2)cc1 ZINC000050805805 849412707 /nfs/dbraw/zinc/41/27/07/849412707.db2.gz KWMUMTWDWADHAZ-UHFFFAOYSA-N -1 1 409.496 4.495 20 0 HIADMM COc1ccc(NC(=O)c2ccc([O-])cc2F)cc1OCc1cn2ccccc2n1 ZINC000436869427 862045465 /nfs/dbraw/zinc/04/54/65/862045465.db2.gz LFIWOUFOIIBJJF-UHFFFAOYSA-N -1 1 407.401 4.019 20 0 HIADMM O=C(CCCc1nc(-c2ccc([O-])cc2Cl)no1)c1ccc2c(c1)OCCO2 ZINC000436872226 862047877 /nfs/dbraw/zinc/04/78/77/862047877.db2.gz LURKRFLBBWLIQR-UHFFFAOYSA-N -1 1 400.818 4.072 20 0 HIADMM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)s1 ZINC000053776261 849758214 /nfs/dbraw/zinc/75/82/14/849758214.db2.gz MYUYJRIZOPAILV-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM [O-]c1ccc(-c2noc([C@H](c3cc(Cl)cc(Cl)c3)N3CCOCC3)n2)c(F)c1 ZINC000436876834 862055220 /nfs/dbraw/zinc/05/52/20/862055220.db2.gz BOIYWIHJGAEFOW-KRWDZBQOSA-N -1 1 424.259 4.310 20 0 HIADMM CCOc1cc(-c2noc(CCc3cccc(OCCOC)c3)n2)cc(Cl)c1[O-] ZINC000436880038 862056191 /nfs/dbraw/zinc/05/61/91/862056191.db2.gz ZFDLVERPLPNTNN-UHFFFAOYSA-N -1 1 418.877 4.305 20 0 HIADMM COc1cc(-c2noc([C@@H](c3cccnc3)C(C)C)n2)cc(Br)c1[O-] ZINC000436878251 862057588 /nfs/dbraw/zinc/05/75/88/862057588.db2.gz JEJBCAKPOCIXNG-OAHLLOKOSA-N -1 1 404.264 4.396 20 0 HIADMM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc([O-])cc1F)CC2 ZINC000436880938 862059198 /nfs/dbraw/zinc/05/91/98/862059198.db2.gz QIESNVVSMNXFGI-HSZRJFAPSA-N -1 1 407.441 4.336 20 0 HIADMM CC(=O)c1cc(Br)ccc1OCc1nc(-c2ccc([O-])cc2F)no1 ZINC000436881545 862060283 /nfs/dbraw/zinc/06/02/83/862060283.db2.gz XDLYEHLDUZRKCZ-UHFFFAOYSA-N -1 1 407.195 4.125 20 0 HIADMM O=C(Nc1cc(NC(=O)c2c(O)cccc2F)c(F)cc1F)c1c([O-])cccc1F ZINC000436886155 862063997 /nfs/dbraw/zinc/06/39/97/862063997.db2.gz FXSYVOQBPYCYCO-UHFFFAOYSA-N -1 1 420.318 4.159 20 0 HIADMM O=S(=O)(Cc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1)c1ccccc1 ZINC000436889314 862066040 /nfs/dbraw/zinc/06/60/40/862066040.db2.gz XLBJXKAFDMECKY-UHFFFAOYSA-N -1 1 408.435 4.208 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c(=O)[n-]1 ZINC000054668964 849902961 /nfs/dbraw/zinc/90/29/61/849902961.db2.gz MIPOQNPKIAFMHV-VIFPVBQESA-N -1 1 418.321 4.056 20 0 HIADMM O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccc([O-])c(O)c1 ZINC000054774291 849918974 /nfs/dbraw/zinc/91/89/74/849918974.db2.gz RWUCSKQWCJIDEM-KRWDZBQOSA-N -1 1 410.495 4.115 20 0 HIADMM CC1CCN(c2nc([O-])c(CC(=O)Nc3ccc(SC(F)F)cc3)s2)CC1 ZINC000055117609 849973114 /nfs/dbraw/zinc/97/31/14/849973114.db2.gz JOMYGZKXVRXQMC-CQSZACIVSA-N -1 1 413.515 4.060 20 0 HIADMM CC1CCN(c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3Cl)s2)CC1 ZINC000055117606 849973340 /nfs/dbraw/zinc/97/33/40/849973340.db2.gz IRLATRJUDBDZNO-ZDUSSCGKSA-N -1 1 400.331 4.052 20 0 HIADMM CCOCCC1(c2nc(-c3cc(Br)c([O-])c(OCC)c3)no2)CCC1 ZINC000436901922 862078078 /nfs/dbraw/zinc/07/80/78/862078078.db2.gz DKIHQIDGKUBFAY-UHFFFAOYSA-N -1 1 411.296 4.452 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c2cccnc12 ZINC000055581648 850061753 /nfs/dbraw/zinc/06/17/53/850061753.db2.gz FVMIACXGNZHPFD-UHFFFAOYSA-N -1 1 413.499 4.029 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(Br)ccc2C)c1 ZINC000055595000 850072202 /nfs/dbraw/zinc/07/22/02/850072202.db2.gz YMIRPRFJYMDXPG-UHFFFAOYSA-N -1 1 411.321 4.215 20 0 HIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1 ZINC000055600371 850075691 /nfs/dbraw/zinc/07/56/91/850075691.db2.gz BVQJLVPRGOOJGF-UHFFFAOYSA-N -1 1 413.293 4.127 20 0 HIADMM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000055618385 850079095 /nfs/dbraw/zinc/07/90/95/850079095.db2.gz RXLAUOHMQPHBHS-UHFFFAOYSA-N -1 1 400.544 4.166 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)c1 ZINC000055642723 850088068 /nfs/dbraw/zinc/08/80/68/850088068.db2.gz HBQBXRPHUIQMEQ-IRXDYDNUSA-N -1 1 400.544 4.222 20 0 HIADMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000055648360 850093078 /nfs/dbraw/zinc/09/30/78/850093078.db2.gz VYJWCFWHXNWVSR-CYBMUJFWSA-N -1 1 410.898 4.295 20 0 HIADMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000055648361 850093650 /nfs/dbraw/zinc/09/36/50/850093650.db2.gz VYJWCFWHXNWVSR-ZDUSSCGKSA-N -1 1 410.898 4.295 20 0 HIADMM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000055663624 850103487 /nfs/dbraw/zinc/10/34/87/850103487.db2.gz JULYYXJIPAFGRF-UHFFFAOYSA-N -1 1 403.262 4.060 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cnc(-c2ccsc2)s1 ZINC000436915611 862095520 /nfs/dbraw/zinc/09/55/20/862095520.db2.gz PISUYOMOBWKRDK-UHFFFAOYSA-N -1 1 403.876 4.268 20 0 HIADMM O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)C(=O)c1ccc([O-])cc1 ZINC000436918279 862098967 /nfs/dbraw/zinc/09/89/67/862098967.db2.gz FVVDIBXQXIDCFL-UHFFFAOYSA-N -1 1 416.355 4.097 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(Oc2cccc(Br)c2)CC1 ZINC000436933889 862112486 /nfs/dbraw/zinc/11/24/86/862112486.db2.gz VTBUUEKGLYPKKQ-UHFFFAOYSA-N -1 1 410.695 4.492 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 ZINC000436932221 862110307 /nfs/dbraw/zinc/11/03/07/862110307.db2.gz MTRPORYDPJDZHV-JOCHJYFZSA-N -1 1 412.489 4.228 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3ccc(F)c(F)c3)cc2)cc1 ZINC000056226166 850290619 /nfs/dbraw/zinc/29/06/19/850290619.db2.gz YTZIWGYVYFURTO-UHFFFAOYSA-N -1 1 416.449 4.351 20 0 HIADMM O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(Cl)cc1[O-] ZINC000436946150 862123065 /nfs/dbraw/zinc/12/30/65/862123065.db2.gz VYGGDRGOUPXVLP-UHFFFAOYSA-N -1 1 404.857 4.223 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc4oc(=O)[nH]c4c3)n2)cc(Br)c1[O-] ZINC000436948674 862124506 /nfs/dbraw/zinc/12/45/06/862124506.db2.gz PHCLRYKRVACSOD-UHFFFAOYSA-N -1 1 418.203 4.117 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(CCCc3ccccc3Br)no2)c1 ZINC000436947895 862125518 /nfs/dbraw/zinc/12/55/18/862125518.db2.gz VPKZQKKMFLTMBK-UHFFFAOYSA-N -1 1 416.275 4.338 20 0 HIADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(I)ccc1[O-] ZINC000436952044 862131181 /nfs/dbraw/zinc/13/11/81/862131181.db2.gz UXXCKQBYRWXABZ-SWLSCSKDSA-N -1 1 407.251 4.015 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000436953209 862132731 /nfs/dbraw/zinc/13/27/31/862132731.db2.gz NAVSLFLSYHAQEJ-INIZCTEOSA-N -1 1 403.759 4.417 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3cnn(C(C)C)c3c2)c1 ZINC000436956254 862135452 /nfs/dbraw/zinc/13/54/52/862135452.db2.gz LPMUGARRZANWHR-UHFFFAOYSA-N -1 1 419.441 4.124 20 0 HIADMM COc1cccc(N(CC(C)C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436956032 862136228 /nfs/dbraw/zinc/13/62/28/862136228.db2.gz KHJSCRSJPLCBIW-UHFFFAOYSA-N -1 1 423.469 4.252 20 0 HIADMM C[C@H](C1CC1)N(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000056934442 850519662 /nfs/dbraw/zinc/51/96/62/850519662.db2.gz BLOAWHGOHZWSDZ-CQSZACIVSA-N -1 1 402.491 4.030 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1F ZINC000057118587 850550877 /nfs/dbraw/zinc/55/08/77/850550877.db2.gz JMNSUCDLYPLSAF-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccn(Cc3ccccc3)n2)c1 ZINC000057182895 850572171 /nfs/dbraw/zinc/57/21/71/850572171.db2.gz SJHIFSURMIUHOS-UHFFFAOYSA-N -1 1 418.526 4.190 20 0 HIADMM CCC(CC)[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1cccs1 ZINC000057255326 850590680 /nfs/dbraw/zinc/59/06/80/850590680.db2.gz ZJUWXAYLCGVCHR-FQEVSTJZSA-N -1 1 410.543 4.038 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OCC(C)C)c2)cc1 ZINC000057283180 850600051 /nfs/dbraw/zinc/60/00/51/850600051.db2.gz SISMGIUHPJPGSB-UHFFFAOYSA-N -1 1 412.515 4.290 20 0 HIADMM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1cccc(F)c1F ZINC000436968835 862148070 /nfs/dbraw/zinc/14/80/70/862148070.db2.gz XIIITKFSFSICTI-VBKZILBWSA-N -1 1 424.447 4.306 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(-c3ncco3)ccc2C)c1 ZINC000436970283 862149258 /nfs/dbraw/zinc/14/92/58/862149258.db2.gz CPXQGYLYSYRCEW-UHFFFAOYSA-N -1 1 418.409 4.157 20 0 HIADMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000057474925 850648204 /nfs/dbraw/zinc/64/82/04/850648204.db2.gz JHSDIXUFDLHGCI-UHFFFAOYSA-N -1 1 404.495 4.433 20 0 HIADMM CCCCn1c(SCC(=O)c2ccc([O-])cc2O)nnc1-c1ccc(OC)cc1 ZINC000057501063 850653179 /nfs/dbraw/zinc/65/31/79/850653179.db2.gz VDIKXGYMZSOHCZ-UHFFFAOYSA-N -1 1 413.499 4.140 20 0 HIADMM CCOc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000057565775 850670337 /nfs/dbraw/zinc/67/03/37/850670337.db2.gz UTPWQPDXZATGLX-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1ccc(C[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436983230 862161704 /nfs/dbraw/zinc/16/17/04/862161704.db2.gz WCUCDCONNHCRJA-BTYIYWSLSA-N -1 1 422.550 4.267 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000057912471 850742655 /nfs/dbraw/zinc/74/26/55/850742655.db2.gz IHKBYYUSQWGHKU-CXAGYDPISA-N -1 1 409.511 4.229 20 0 HIADMM O=C(Cc1cccc(F)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000058059131 850759370 /nfs/dbraw/zinc/75/93/70/850759370.db2.gz RWTKFVNWJQGUHS-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM O=C(Nc1cccc(OCC(F)(F)F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000058076654 850763867 /nfs/dbraw/zinc/76/38/67/850763867.db2.gz PBAFWDYDMWDTGV-UHFFFAOYSA-N -1 1 422.403 4.460 20 0 HIADMM CN(C(=O)c1ccc(Br)cc1[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000436985203 862164950 /nfs/dbraw/zinc/16/49/50/862164950.db2.gz DJHDAAKGPYIIRX-YJBOKZPZSA-N -1 1 408.267 4.286 20 0 HIADMM O=C(CCn1ccc2ccccc21)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058142695 850772934 /nfs/dbraw/zinc/77/29/34/850772934.db2.gz PEEOBKVHVRLOQP-UHFFFAOYSA-N -1 1 419.506 4.471 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cccs1 ZINC000058177255 850777873 /nfs/dbraw/zinc/77/78/73/850777873.db2.gz GGAOIROBBWFGRP-UHFFFAOYSA-N -1 1 422.915 4.463 20 0 HIADMM CCCCOc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)c([O-])c1 ZINC000436992500 862167238 /nfs/dbraw/zinc/16/72/38/862167238.db2.gz WSLXERGZWCUBDN-UHFFFAOYSA-N -1 1 405.516 4.147 20 0 HIADMM CC(C)(C)OC(=O)NC1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)CC1 ZINC000058206015 850781002 /nfs/dbraw/zinc/78/10/02/850781002.db2.gz HUNYRHVAHZBCHU-UHFFFAOYSA-N -1 1 409.600 4.010 20 0 HIADMM Cc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)n1C1CC1 ZINC000058255528 850787726 /nfs/dbraw/zinc/78/77/26/850787726.db2.gz HANXVXRVFSFWLB-UHFFFAOYSA-N -1 1 409.511 4.493 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(C2CCCC2)n1 ZINC000058314228 850799127 /nfs/dbraw/zinc/79/91/27/850799127.db2.gz VQBVWOYKIDVOHY-UHFFFAOYSA-N -1 1 408.545 4.309 20 0 HIADMM O=C(NC[C@H]1CCC(F)(F)C1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436998787 862172559 /nfs/dbraw/zinc/17/25/59/862172559.db2.gz JTKAJKFFHZYMQX-NSHDSACASA-N -1 1 410.367 4.088 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(C(C)C)nn3C)n2)cc(Br)c1[O-] ZINC000436998641 862172839 /nfs/dbraw/zinc/17/28/39/862172839.db2.gz LHVPKNXTLGATAN-UHFFFAOYSA-N -1 1 407.268 4.127 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C(F)(F)F)c3)cc2C[C@@H]1C ZINC000058482029 850836686 /nfs/dbraw/zinc/83/66/86/850836686.db2.gz HBBILVLOMOGYMQ-LBPRGKRZSA-N -1 1 412.433 4.112 20 0 HIADMM CCOc1cc(C)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000058565409 850857583 /nfs/dbraw/zinc/85/75/83/850857583.db2.gz RKKHEKJYLLFFQS-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM CCOc1cc(-c2noc([C@@H](C)c3c(C)n[nH]c3C)n2)cc(Br)c1[O-] ZINC000437003846 862178069 /nfs/dbraw/zinc/17/80/69/862178069.db2.gz PZIWTFUKKMNPEP-QMMMGPOBSA-N -1 1 407.268 4.095 20 0 HIADMM COc1ccccc1C(C)(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058806287 850932359 /nfs/dbraw/zinc/93/23/59/850932359.db2.gz CUNTUSZMPZKOIJ-UHFFFAOYSA-N -1 1 424.522 4.412 20 0 HIADMM O=C(COc1ccc(Cl)cc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058949660 850965497 /nfs/dbraw/zinc/96/54/97/850965497.db2.gz MGZHIGWPNXVUHE-UHFFFAOYSA-N -1 1 416.886 4.158 20 0 HIADMM COc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060401333 851087986 /nfs/dbraw/zinc/08/79/86/851087986.db2.gz JYCKVAOYDXBOIG-NTCAYCPXSA-N -1 1 408.479 4.148 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc2ncccc21 ZINC000060414562 851091749 /nfs/dbraw/zinc/09/17/49/851091749.db2.gz QCNYZOXLKHKJGH-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000060414468 851091968 /nfs/dbraw/zinc/09/19/68/851091968.db2.gz IDIHNIGKCIGJKO-SDNWHVSQSA-N -1 1 423.450 4.048 20 0 HIADMM CC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000061194268 851314720 /nfs/dbraw/zinc/31/47/20/851314720.db2.gz CFYDASSFLWQMHL-UHFFFAOYSA-N -1 1 400.422 4.035 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000062299529 851525976 /nfs/dbraw/zinc/52/59/76/851525976.db2.gz UOISHWWSQKNWBN-GGAORHGYSA-N -1 1 420.534 4.390 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(-c2ccc(F)cc2)n1 ZINC000062294982 851526002 /nfs/dbraw/zinc/52/60/02/851526002.db2.gz OLXXCRSFUZOUJX-UHFFFAOYSA-N -1 1 420.487 4.068 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1coc(-c2ccc(C)cc2)n1 ZINC000062482101 851561481 /nfs/dbraw/zinc/56/14/81/851561481.db2.gz RWPAFPGSLPXBFF-UHFFFAOYSA-N -1 1 414.483 4.159 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cncn2)cc1 ZINC000063173262 851626875 /nfs/dbraw/zinc/62/68/75/851626875.db2.gz DRBXFKNZDMQPEL-UHFFFAOYSA-N -1 1 420.922 4.291 20 0 HIADMM Cc1nc(-c2ccc(F)cc2)sc1C(=O)[N-]NC(=S)Nc1cc(C)ccc1F ZINC000063363338 851669874 /nfs/dbraw/zinc/66/98/74/851669874.db2.gz BIAJFFHKWSBLFG-UHFFFAOYSA-N -1 1 418.494 4.337 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1 ZINC000063442767 851691136 /nfs/dbraw/zinc/69/11/36/851691136.db2.gz IEHMSVPHCUWLMY-UHFFFAOYSA-N -1 1 405.516 4.224 20 0 HIADMM C[C@@H](CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])C1CC1 ZINC000063714961 851746456 /nfs/dbraw/zinc/74/64/56/851746456.db2.gz QEFMTJBLMYDOKF-LBPRGKRZSA-N -1 1 408.907 4.221 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000063803309 851768705 /nfs/dbraw/zinc/76/87/05/851768705.db2.gz IKIGRKHBGVDEDJ-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1 ZINC000063879388 851784166 /nfs/dbraw/zinc/78/41/66/851784166.db2.gz BUKSXTHGAUOSFO-UHFFFAOYSA-N -1 1 413.524 4.101 20 0 HIADMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063912968 851792591 /nfs/dbraw/zinc/79/25/91/851792591.db2.gz STQAMJAULHSORT-UHFFFAOYSA-N -1 1 418.412 4.092 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)CC1CCCC1 ZINC000064088846 851825725 /nfs/dbraw/zinc/82/57/25/851825725.db2.gz QZSDQKKBZIVRSD-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)cc1 ZINC000064374764 851881756 /nfs/dbraw/zinc/88/17/56/851881756.db2.gz MJDBELFIBUTLNI-UHFFFAOYSA-N -1 1 401.937 4.278 20 0 HIADMM CC(C)CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000064423584 851895576 /nfs/dbraw/zinc/89/55/76/851895576.db2.gz DEVORIURXGUFLR-UHFFFAOYSA-N -1 1 408.520 4.034 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1 ZINC000064476414 851907958 /nfs/dbraw/zinc/90/79/58/851907958.db2.gz YYKGWMKVZQDILW-UHFFFAOYSA-N -1 1 414.483 4.146 20 0 HIADMM O=C1OCCN1c1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937840 852026351 /nfs/dbraw/zinc/02/63/51/852026351.db2.gz IXTWXUYRFVXJFC-UHFFFAOYSA-N -1 1 418.418 4.056 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)c2ccccc12 ZINC000065079260 852057685 /nfs/dbraw/zinc/05/76/85/852057685.db2.gz AMNKKESFIYPWGY-UHFFFAOYSA-N -1 1 424.522 4.162 20 0 HIADMM COc1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000065160106 852081242 /nfs/dbraw/zinc/08/12/42/852081242.db2.gz MJKZABZYBNPMQY-UHFFFAOYSA-N -1 1 424.522 4.389 20 0 HIADMM CCCC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000065174587 852083497 /nfs/dbraw/zinc/08/34/97/852083497.db2.gz BKGAJPNCUZZQKK-UHFFFAOYSA-N -1 1 404.532 4.195 20 0 HIADMM CCCC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000065174563 852083537 /nfs/dbraw/zinc/08/35/37/852083537.db2.gz DQOMBIVYIQYWMN-UHFFFAOYSA-N -1 1 404.532 4.195 20 0 HIADMM O=C(NCCc1cccs1)N[N-]C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000065202218 852086322 /nfs/dbraw/zinc/08/63/22/852086322.db2.gz CQLRVNOWZQDCNO-UHFFFAOYSA-N -1 1 405.932 4.317 20 0 HIADMM COc1ccc(C(=O)[N-]C(=O)CS[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000065280304 852099171 /nfs/dbraw/zinc/09/91/71/852099171.db2.gz BYHSNOVXCPZRJH-GFCCVEGCSA-N -1 1 413.417 4.345 20 0 HIADMM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)CCS1 ZINC000437144283 862334845 /nfs/dbraw/zinc/33/48/45/862334845.db2.gz IRCMPAWLDVHENU-GOSISDBHSA-N -1 1 418.584 4.072 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(F)c(F)cc1F ZINC000437146518 862339192 /nfs/dbraw/zinc/33/91/92/862339192.db2.gz QEZPHIYPGBBXRC-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(OC(F)(F)F)c3)c3cccc1c23 ZINC000071835805 852414577 /nfs/dbraw/zinc/41/45/77/852414577.db2.gz BNWSEXIEZFKOMO-UHFFFAOYSA-N -1 1 408.357 4.105 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)c3ccncc3)c2)c1 ZINC000071939456 852438652 /nfs/dbraw/zinc/43/86/52/852438652.db2.gz FLCCPVXOYKELRI-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM CCO[C@@H](CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000072027943 852472416 /nfs/dbraw/zinc/47/24/16/852472416.db2.gz KGKOESYQMRWQJY-KRWDZBQOSA-N -1 1 410.923 4.203 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc(C(F)(F)F)cc1 ZINC000072035775 852477815 /nfs/dbraw/zinc/47/78/15/852477815.db2.gz ODVMWWNGKNFLDQ-INIZCTEOSA-N -1 1 411.405 4.234 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cc1 ZINC000072117189 852511756 /nfs/dbraw/zinc/51/17/56/852511756.db2.gz WNEMVBDEGZUJGU-UHFFFAOYSA-N -1 1 414.449 4.122 20 0 HIADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1nc(C)cs1 ZINC000078514539 852517440 /nfs/dbraw/zinc/51/74/40/852517440.db2.gz SQMSFOJKXJMBJI-GOSISDBHSA-N -1 1 415.540 4.133 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC000078508794 852517660 /nfs/dbraw/zinc/51/76/60/852517660.db2.gz YUHOTZQYWRAWDE-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3ccccc32)c(Br)c1 ZINC000097150732 852585818 /nfs/dbraw/zinc/58/58/18/852585818.db2.gz TZGOXQWNVFXCNZ-UHFFFAOYSA-N -1 1 406.257 4.101 20 0 HIADMM Cc1ccc(Sc2ncccc2C(=O)NCc2n[n-]c(=S)n2C2CC2)cc1C ZINC000097550928 852629452 /nfs/dbraw/zinc/62/94/52/852629452.db2.gz LMZPSVLIDNMEAD-UHFFFAOYSA-N -1 1 411.556 4.369 20 0 HIADMM Cc1cc(CSc2ccccc2C(=O)NCCc2n[n-]c(=S)n2C(C)C)on1 ZINC000097552751 852630325 /nfs/dbraw/zinc/63/03/25/852630325.db2.gz IYGZIOAPNNIBOK-UHFFFAOYSA-N -1 1 417.560 4.083 20 0 HIADMM CCn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)c2cccc(OC3CCCC3)c2)C1 ZINC000097570087 852632347 /nfs/dbraw/zinc/63/23/47/852632347.db2.gz IIUNDXBZHHBQKP-INIZCTEOSA-N -1 1 400.548 4.302 20 0 HIADMM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H](c2n[n-]c(=S)n2C)C1 ZINC000097570059 852632493 /nfs/dbraw/zinc/63/24/93/852632493.db2.gz RBDGCGUTFJSAIE-DGCLKSJQSA-N -1 1 413.374 4.369 20 0 HIADMM CCc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)nc(SC)[n-]c2=O)o1 ZINC000097593313 852641667 /nfs/dbraw/zinc/64/16/67/852641667.db2.gz IOFZZTCNZNYURB-QGZVFWFLSA-N -1 1 403.548 4.032 20 0 HIADMM Cc1ccccc1-n1ncc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1C(F)(F)F ZINC000106081066 852751722 /nfs/dbraw/zinc/75/17/22/852751722.db2.gz NFLYCBXXPISYMB-UHFFFAOYSA-N -1 1 421.326 4.322 20 0 HIADMM CCOC(=O)C1=C(NC(=O)c2cc(-c3ccccc3)no2)[N-]c2ccccc2N=C1C ZINC000106195095 852760638 /nfs/dbraw/zinc/76/06/38/852760638.db2.gz SBJPGCAQZAAGHZ-UHFFFAOYSA-N -1 1 416.437 4.064 20 0 HIADMM CCC(CC)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cccs1 ZINC000108392815 852844999 /nfs/dbraw/zinc/84/49/99/852844999.db2.gz BYUKJRHNCOYMMS-KRWDZBQOSA-N -1 1 412.577 4.325 20 0 HIADMM CCCNC(=O)c1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)cc1 ZINC000108545443 852858666 /nfs/dbraw/zinc/85/86/66/852858666.db2.gz PQCDTBSRPMEXLF-UHFFFAOYSA-N -1 1 423.542 4.085 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCC(F)(F)F)cc2)cc1C ZINC000108859542 852886893 /nfs/dbraw/zinc/88/68/93/852886893.db2.gz GJOCLSCVJKXKIT-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1 ZINC000108895220 852890555 /nfs/dbraw/zinc/89/05/55/852890555.db2.gz AIVVECRHVIBMNP-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1cc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(C)o1 ZINC000109308698 852950749 /nfs/dbraw/zinc/95/07/49/852950749.db2.gz CDDDYTBBMIMVEH-MRXNPFEDSA-N -1 1 412.511 4.497 20 0 HIADMM Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)c1 ZINC000109362851 852959225 /nfs/dbraw/zinc/95/92/25/852959225.db2.gz RTFBUWQGHSJAJC-UHFFFAOYSA-N -1 1 404.304 4.455 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc(F)c1F ZINC000110369990 853092296 /nfs/dbraw/zinc/09/22/96/853092296.db2.gz DWLAMJDTLNVAMP-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000110546787 853116163 /nfs/dbraw/zinc/11/61/63/853116163.db2.gz BGTRPVQXRWHVKA-IBGZPJMESA-N -1 1 407.543 4.019 20 0 HIADMM CCCC[C@@H]1CCC[C@H]1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000110776679 853151898 /nfs/dbraw/zinc/15/18/98/853151898.db2.gz FAZXHWPHOCCQEH-CRAIPNDOSA-N -1 1 402.564 4.481 20 0 HIADMM CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000110904658 853166362 /nfs/dbraw/zinc/16/63/62/853166362.db2.gz NUOULWRORCZMEE-UHFFFAOYSA-N -1 1 420.434 4.160 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000116571462 853316147 /nfs/dbraw/zinc/31/61/47/853316147.db2.gz GLKQDZSWYIITNX-HXUWFJFHSA-N -1 1 422.916 4.090 20 0 HIADMM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000116793367 853333637 /nfs/dbraw/zinc/33/36/37/853333637.db2.gz ULRTZSAAKDKSCH-UHFFFAOYSA-N -1 1 422.539 4.148 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000138979000 853401677 /nfs/dbraw/zinc/40/16/77/853401677.db2.gz LAOCBVIOWXMTBX-UNMCSNQZSA-N -1 1 406.507 4.082 20 0 HIADMM O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000143429226 853515182 /nfs/dbraw/zinc/51/51/82/853515182.db2.gz FCPXVIFVXIDWGS-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3cc4cccc(C)c4o3)n2)n[n-]c1=S ZINC000149703751 853629685 /nfs/dbraw/zinc/62/96/85/853629685.db2.gz ZEWWGWIUBPGGQE-UHFFFAOYSA-N -1 1 411.512 4.481 20 0 HIADMM COCCOc1c(Cl)cccc1NC(=O)c1cc(Br)ccc1[O-] ZINC000195710748 853772862 /nfs/dbraw/zinc/77/28/62/853772862.db2.gz FXTOZTCFVYVCCO-UHFFFAOYSA-N -1 1 400.656 4.086 20 0 HIADMM CCn1ncc2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc21 ZINC000195731007 853782703 /nfs/dbraw/zinc/78/27/03/853782703.db2.gz ZVSSHFRNYJWLGZ-UHFFFAOYSA-N -1 1 420.494 4.109 20 0 HIADMM O=C([N-]c1nnc(C2CC2)s1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000196502020 853794321 /nfs/dbraw/zinc/79/43/21/853794321.db2.gz RCWWEKUNJMDWEI-UHFFFAOYSA-N -1 1 412.475 4.116 20 0 HIADMM C/C=C/C=C\C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000207795703 853804630 /nfs/dbraw/zinc/80/46/30/853804630.db2.gz PMINICRLNNYHPZ-HOJFPOIOSA-N -1 1 421.316 4.321 20 0 HIADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000221568504 853875838 /nfs/dbraw/zinc/87/58/38/853875838.db2.gz XFWQVWTWEMIOGL-CZAAIQMYSA-N -1 1 415.559 4.073 20 0 HIADMM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(I)c([O-])c1 ZINC000230885893 853896068 /nfs/dbraw/zinc/89/60/68/853896068.db2.gz VCCUGUYRYJIZFL-UHFFFAOYSA-N -1 1 417.630 4.220 20 0 HIADMM CC(C)(CC(=O)Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1)C(=O)[O-] ZINC000236804127 853924476 /nfs/dbraw/zinc/92/44/76/853924476.db2.gz JJQITGGEOIIKQW-UHFFFAOYSA-N -1 1 416.275 4.432 20 0 HIADMM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)ccc2Cl)n[nH]1 ZINC000248169733 854183655 /nfs/dbraw/zinc/18/36/55/854183655.db2.gz VELZIPNGMZCGOO-UHFFFAOYSA-N -1 1 418.906 4.041 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC3)c2)cc1 ZINC000248197858 854184761 /nfs/dbraw/zinc/18/47/61/854184761.db2.gz RQBLMOCIXBPWLA-UHFFFAOYSA-N -1 1 406.935 4.329 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3[C@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000253382195 854205958 /nfs/dbraw/zinc/20/59/58/854205958.db2.gz HFWSREJBPGMKND-CALCHBBNSA-N -1 1 416.543 4.289 20 0 HIADMM Cc1cc(C(=O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)n1CC(F)(F)F ZINC000261369526 854236705 /nfs/dbraw/zinc/23/67/05/854236705.db2.gz JZYHKMKJPCCILA-UHFFFAOYSA-N -1 1 422.447 4.150 20 0 HIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000261428569 854258978 /nfs/dbraw/zinc/25/89/78/854258978.db2.gz OHZMRDPGAJTQNC-ZJUUUORDSA-N -1 1 403.451 4.107 20 0 HIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000261428563 854259012 /nfs/dbraw/zinc/25/90/12/854259012.db2.gz OHZMRDPGAJTQNC-NXEZZACHSA-N -1 1 403.451 4.107 20 0 HIADMM O=C(NCCCc1c[nH]c2ccccc12)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261465780 854271751 /nfs/dbraw/zinc/27/17/51/854271751.db2.gz YLILXDXVUHWQKP-UHFFFAOYSA-N -1 1 405.498 4.111 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccc(NC(=O)NC(C)C)cc3)nc2)[n-]c(=O)c1C ZINC000301334401 854362884 /nfs/dbraw/zinc/36/28/84/854362884.db2.gz CKRFDJZCJWJJMN-UHFFFAOYSA-N -1 1 406.490 4.003 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2)cc1 ZINC000301385562 854378440 /nfs/dbraw/zinc/37/84/40/854378440.db2.gz NKYHCWWAANFMQT-WHSLLNHNSA-N -1 1 416.543 4.051 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(-c4ccc(OC)cc4)nc3c2)cc1 ZINC000301603560 854427981 /nfs/dbraw/zinc/42/79/81/854427981.db2.gz BROMVCBTBGMJTE-UHFFFAOYSA-N -1 1 409.467 4.048 20 0 HIADMM Cc1nc(-c2ccc(N3CCc4cc(Br)ccc4C3)nc2)[n-]c(=O)c1C ZINC000302724818 854613365 /nfs/dbraw/zinc/61/33/65/854613365.db2.gz OCURVQAQQWWHPR-UHFFFAOYSA-N -1 1 411.303 4.186 20 0 HIADMM O=S(=O)([N-]c1ccccc1CNc1ncnc2c(F)cccc12)c1ccccc1 ZINC000302918514 854678970 /nfs/dbraw/zinc/67/89/70/854678970.db2.gz XTYNSTISHFASDH-UHFFFAOYSA-N -1 1 408.458 4.182 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCc4occc43)cc2)cc1 ZINC000302952866 854693854 /nfs/dbraw/zinc/69/38/54/854693854.db2.gz MZQSECFUHOHMEN-FQEVSTJZSA-N -1 1 410.495 4.196 20 0 HIADMM CC1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CCCCC1 ZINC000302953116 854694567 /nfs/dbraw/zinc/69/45/67/854694567.db2.gz FCGWOALORMKETG-UHFFFAOYSA-N -1 1 408.470 4.218 20 0 HIADMM CCCN(CC(F)F)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000303047618 854738616 /nfs/dbraw/zinc/73/86/16/854738616.db2.gz RAJYRKVHAFDEPA-UHFFFAOYSA-N -1 1 410.486 4.222 20 0 HIADMM O=S(=O)([N-]Cc1ccc2c(c1)OCCCO2)c1c(Cl)cc(Cl)cc1Cl ZINC000303207515 854817032 /nfs/dbraw/zinc/81/70/32/854817032.db2.gz QHHLFPLNAHWNMR-UHFFFAOYSA-N -1 1 422.717 4.287 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3cn4ccccc4n3)cc2)c(C)s1 ZINC000303327653 854873766 /nfs/dbraw/zinc/87/37/66/854873766.db2.gz WENARFBOWWUFFD-UHFFFAOYSA-N -1 1 413.524 4.392 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)Cc2ccc(C)cc2C)cc1 ZINC000303368546 854895743 /nfs/dbraw/zinc/89/57/43/854895743.db2.gz RTTBUMXTCPLTRQ-KRWDZBQOSA-N -1 1 424.570 4.371 20 0 HIADMM CC(C)(CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1cccs1 ZINC000303588144 855061934 /nfs/dbraw/zinc/06/19/34/855061934.db2.gz RCKDUBRMNITWOE-UHFFFAOYSA-N -1 1 414.552 4.257 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c(C(F)(F)F)c1 ZINC000303748294 855170757 /nfs/dbraw/zinc/17/07/57/855170757.db2.gz GYHCMIZYXHBWSH-UHFFFAOYSA-N -1 1 416.421 4.172 20 0 HIADMM CCCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000303812845 855215612 /nfs/dbraw/zinc/21/56/12/855215612.db2.gz IQQCAPUQFXJZAJ-ROUUACIJSA-N -1 1 421.607 4.122 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(I)ccc2Cl)s1 ZINC000310625023 855366301 /nfs/dbraw/zinc/36/63/01/855366301.db2.gz SFEWEMSDZQXBTJ-UHFFFAOYSA-N -1 1 413.689 4.115 20 0 HIADMM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC000320210666 855386917 /nfs/dbraw/zinc/38/69/17/855386917.db2.gz JICWHEWACRRHFX-UHFFFAOYSA-N -1 1 401.301 4.235 20 0 HIADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(F)F)c2)c1Br ZINC000386307428 855443135 /nfs/dbraw/zinc/44/31/35/855443135.db2.gz LJZDVGJWQCPUEQ-UHFFFAOYSA-N -1 1 420.231 4.194 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)cc([N+](=O)[O-])c1F ZINC000392339395 855463904 /nfs/dbraw/zinc/46/39/04/855463904.db2.gz YTDFYRNZGGHAEH-UHFFFAOYSA-N -1 1 421.219 4.053 20 0 HIADMM CC[C@H](c1nnc([N-]C(=O)c2c(F)ccc(OC)c2OC)s1)c1ccccc1 ZINC000409534594 855528479 /nfs/dbraw/zinc/52/84/79/855528479.db2.gz HPAQKMUHDUWIMF-ZDUSSCGKSA-N -1 1 401.463 4.489 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000410210556 855863413 /nfs/dbraw/zinc/86/34/13/855863413.db2.gz MESBMKWKMSZZJC-UHFFFAOYSA-N -1 1 423.941 4.286 20 0 HIADMM C[C@H](CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000410222525 855868291 /nfs/dbraw/zinc/86/82/91/855868291.db2.gz ZSAGJAPEZBFGPH-GOSISDBHSA-N -1 1 408.523 4.411 20 0 HIADMM CC(C)Oc1c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cccc1C(=O)[O-] ZINC000410398778 855974043 /nfs/dbraw/zinc/97/40/43/855974043.db2.gz BAYFJUWGHGPVCZ-UHFFFAOYSA-N -1 1 404.271 4.280 20 0 HIADMM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(Cl)cc(C(N)=O)c3)c2)o1 ZINC000410399940 855974374 /nfs/dbraw/zinc/97/43/74/855974374.db2.gz XJCBKYHOGGYUDR-UHFFFAOYSA-N -1 1 404.875 4.117 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)c(Cl)cc2N1 ZINC000410418763 855987704 /nfs/dbraw/zinc/98/77/04/855987704.db2.gz BSGHAHSUWVRICJ-UHFFFAOYSA-N -1 1 409.653 4.081 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3oc(CC(C)(C)C)nc3c2)cc1 ZINC000437400431 862747326 /nfs/dbraw/zinc/74/73/26/862747326.db2.gz LKVWLAFPVKWOIA-UHFFFAOYSA-N -1 1 415.515 4.200 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(C)(C)c3ccccc32)c1 ZINC000425958915 856018560 /nfs/dbraw/zinc/01/85/60/856018560.db2.gz IFADGUTVGIWZKG-UHFFFAOYSA-N -1 1 405.454 4.269 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000425960696 856019884 /nfs/dbraw/zinc/01/98/84/856019884.db2.gz YFHXFMGVCBMMDI-UHFFFAOYSA-N -1 1 405.516 4.132 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(CN(C)Cc2cscn2)c1 ZINC000437405231 862759151 /nfs/dbraw/zinc/75/91/51/862759151.db2.gz OYAVZQJQCIENMV-UHFFFAOYSA-N -1 1 405.520 4.023 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000426479965 856313564 /nfs/dbraw/zinc/31/35/64/856313564.db2.gz OIYVMCDVWXMCIA-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM COc1cc(OC)cc(Oc2ccc(CNCc3ccc(C(=O)[O-])c(C)n3)cc2)c1 ZINC000426635928 856386016 /nfs/dbraw/zinc/38/60/16/856386016.db2.gz CIAVMIWAQZZOBV-UHFFFAOYSA-N -1 1 408.454 4.188 20 0 HIADMM COc1cc(CNCc2ccc(C(=O)[O-])c(C)n2)ccc1OCc1ccc(F)cc1 ZINC000426659245 856398500 /nfs/dbraw/zinc/39/85/00/856398500.db2.gz CUBFDIBBDVEYDL-UHFFFAOYSA-N -1 1 410.445 4.105 20 0 HIADMM O=C([O-])C[C@@H](NCc1cnc(-c2ccsc2)s1)c1cnn(-c2ccccc2)c1 ZINC000426721940 856434046 /nfs/dbraw/zinc/43/40/46/856434046.db2.gz FEWOZOFVDUBPAS-GOSISDBHSA-N -1 1 410.524 4.363 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1cc2c(ccc(C)c2C)[nH]1)C(=O)[O-] ZINC000426731375 856440951 /nfs/dbraw/zinc/44/09/51/856440951.db2.gz DXIXMKHMAOBNBX-IBGZPJMESA-N -1 1 417.303 4.471 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1cccc2c1OC(C)(C)C2)C(=O)[O-] ZINC000426733485 856441865 /nfs/dbraw/zinc/44/18/65/856441865.db2.gz NDMWJEPMELHFMR-QGZVFWFLSA-N -1 1 420.303 4.087 20 0 HIADMM CCCOc1cccc(CN[C@@H](C(=O)[O-])c2cc(Br)ccc2OC)c1 ZINC000426734784 856442330 /nfs/dbraw/zinc/44/23/30/856442330.db2.gz BOQYHYTYJNQCHF-GOSISDBHSA-N -1 1 408.292 4.162 20 0 HIADMM CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OC ZINC000426754343 856457774 /nfs/dbraw/zinc/45/77/74/856457774.db2.gz PMQKVGDUQZYDBY-MRXNPFEDSA-N -1 1 402.249 4.455 20 0 HIADMM O=C([O-])C[C@@H](NCc1ccc(F)c(Br)c1)c1cnn(-c2ccccc2)c1 ZINC000426762777 856464909 /nfs/dbraw/zinc/46/49/09/856464909.db2.gz NMNZQDGTAZSRCL-GOSISDBHSA-N -1 1 418.266 4.080 20 0 HIADMM O=C([O-])[C@@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccc(F)cc1 ZINC000426775511 856472268 /nfs/dbraw/zinc/47/22/68/856472268.db2.gz SVRHXWUTEWJPME-SFHVURJKSA-N -1 1 407.367 4.005 20 0 HIADMM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1OCc1cccs1 ZINC000426793536 856482340 /nfs/dbraw/zinc/48/23/40/856482340.db2.gz QSRVKMLERWVUNW-HXUWFJFHSA-N -1 1 401.459 4.390 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)cc3)s2)c1OC ZINC000426803833 856488215 /nfs/dbraw/zinc/48/82/15/856488215.db2.gz POQKTVFYLTWYFN-SFHVURJKSA-N -1 1 412.511 4.441 20 0 HIADMM O=C([O-])C[C@H](NCc1cc(Cl)cc2c1OCC2)c1cccc(Br)c1 ZINC000426814582 856493379 /nfs/dbraw/zinc/49/33/79/856493379.db2.gz HLKNXHIQIGLKJI-INIZCTEOSA-N -1 1 410.695 4.343 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Br)c(C)c2)c1OC ZINC000426818908 856496241 /nfs/dbraw/zinc/49/62/41/856496241.db2.gz GSTMRRMROQGOSB-INIZCTEOSA-N -1 1 408.292 4.080 20 0 HIADMM O=C([O-])C[C@@H](NCc1ccc(Br)o1)c1cccc(Br)c1 ZINC000426827382 856501936 /nfs/dbraw/zinc/50/19/36/856501936.db2.gz IBXFAGHMPZWUAO-GFCCVEGCSA-N -1 1 403.070 4.110 20 0 HIADMM COc1cc(C(=O)NCCc2c[nH]c3cccc(Br)c23)cc(Cl)c1[O-] ZINC000426841691 856509095 /nfs/dbraw/zinc/50/90/95/856509095.db2.gz WNGWYHNWMOGAQI-UHFFFAOYSA-N -1 1 423.694 4.271 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000426972291 856571802 /nfs/dbraw/zinc/57/18/02/856571802.db2.gz NRWAETIWZWILOF-TVTNDZMWSA-N -1 1 416.525 4.278 20 0 HIADMM Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2ncc(C)cc2[O-])C3)cc1 ZINC000426996036 856586533 /nfs/dbraw/zinc/58/65/33/856586533.db2.gz WLWLXEXOHXOKEJ-UHFFFAOYSA-N -1 1 416.481 4.247 20 0 HIADMM Cc1cnc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c([O-])c1 ZINC000427080714 856624454 /nfs/dbraw/zinc/62/44/54/856624454.db2.gz OMUBUJKNKLGLCU-HNNXBMFYSA-N -1 1 408.285 4.036 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427088498 856628355 /nfs/dbraw/zinc/62/83/55/856628355.db2.gz JXIVYFCUZVVCES-UHFFFAOYSA-N -1 1 407.854 4.098 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000427103726 856638898 /nfs/dbraw/zinc/63/88/98/856638898.db2.gz YMOKDBIKQCRSSM-HXUWFJFHSA-N -1 1 408.546 4.447 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H]4CCCC[C@@H]4C3)cc2)cc1C ZINC000427127015 856654629 /nfs/dbraw/zinc/65/46/29/856654629.db2.gz RZCSUSVLQVKOOA-WOJBJXKFSA-N -1 1 412.555 4.366 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)c4ccoc4)c3)cc2s1 ZINC000427212481 856715659 /nfs/dbraw/zinc/71/56/59/856715659.db2.gz PICWCUUFPYPYAQ-UHFFFAOYSA-N -1 1 413.480 4.251 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC(F)F)C(C)C)cc2)ccc1F ZINC000427218885 856718788 /nfs/dbraw/zinc/71/87/88/856718788.db2.gz WEZUNKQFTJLUGN-UHFFFAOYSA-N -1 1 414.449 4.051 20 0 HIADMM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC000437467630 862829826 /nfs/dbraw/zinc/82/98/26/862829826.db2.gz AFPWRBDAFHWHDK-YWZLYKJASA-N -1 1 420.513 4.386 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2ccc(-c3ccc(OC(C)C)cc3)cc2F)cnn1C ZINC000427294566 856756100 /nfs/dbraw/zinc/75/61/00/856756100.db2.gz GAGALMUZNCIDSN-UHFFFAOYSA-N -1 1 403.479 4.123 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4[nH]c(-c5ccccn5)nc4c3)cc2s1 ZINC000427316939 856766931 /nfs/dbraw/zinc/76/69/31/856766931.db2.gz TWVSZHVMUYVXNG-UHFFFAOYSA-N -1 1 421.507 4.344 20 0 HIADMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)o1 ZINC000437483263 862842364 /nfs/dbraw/zinc/84/23/64/862842364.db2.gz GERXYVUOTOYFJF-GOEBONIOSA-N -1 1 422.547 4.125 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc2cccnc21 ZINC000427659706 856899484 /nfs/dbraw/zinc/89/94/84/856899484.db2.gz LESISKGFWVTIKL-UHFFFAOYSA-N -1 1 400.353 4.202 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCS[C@H](C)CC3)ccc2C)c1 ZINC000427916546 857005289 /nfs/dbraw/zinc/00/52/89/857005289.db2.gz SKMIXGPVAKEQSP-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM COc1cc(C(=O)N[C@@H]2CSc3ccc(Br)cc32)cc(Cl)c1[O-] ZINC000428196855 857108079 /nfs/dbraw/zinc/10/80/79/857108079.db2.gz GIAVRMGGAPFPSA-GFCCVEGCSA-N -1 1 414.708 4.394 20 0 HIADMM COc1cc(C(=O)N[C@H]2CSc3ccc(Br)cc32)cc(Cl)c1[O-] ZINC000428196858 857108154 /nfs/dbraw/zinc/10/81/54/857108154.db2.gz GIAVRMGGAPFPSA-LBPRGKRZSA-N -1 1 414.708 4.394 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000428214506 857113955 /nfs/dbraw/zinc/11/39/55/857113955.db2.gz ZWTRPRJNTJVMIG-UHFFFAOYSA-N -1 1 421.379 4.109 20 0 HIADMM COc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000428352417 857167881 /nfs/dbraw/zinc/16/78/81/857167881.db2.gz LFFSAXRXQBLLLP-HNNXBMFYSA-N -1 1 404.532 4.007 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000428701305 857301150 /nfs/dbraw/zinc/30/11/50/857301150.db2.gz NYZVYBBKRGNCOI-KRWDZBQOSA-N -1 1 407.539 4.454 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000428706041 857303730 /nfs/dbraw/zinc/30/37/30/857303730.db2.gz HPAOLMPDVCLUJB-UWVGGRQHSA-N -1 1 400.331 4.409 20 0 HIADMM CCOC1(C)CCN(Cc2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)CC1 ZINC000428730549 857312535 /nfs/dbraw/zinc/31/25/35/857312535.db2.gz PLALDHRYPBZKHB-UHFFFAOYSA-N -1 1 413.543 4.051 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1noc(Cc2ccccc2)n1 ZINC000429863148 857916058 /nfs/dbraw/zinc/91/60/58/857916058.db2.gz WOEOUBDCPBYRFA-NSHDSACASA-N -1 1 412.298 4.007 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Oc4cccc(Cl)c4)cc3)cn2n1 ZINC000430355203 858132126 /nfs/dbraw/zinc/13/21/26/858132126.db2.gz LJDKVTTUPTUQPK-UHFFFAOYSA-N -1 1 414.874 4.284 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)c2)c1 ZINC000430469671 858182113 /nfs/dbraw/zinc/18/21/13/858182113.db2.gz DUCUHBWDZCHCED-MGPUTAFESA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)cc2)c1C ZINC000430470166 858182298 /nfs/dbraw/zinc/18/22/98/858182298.db2.gz RGJGGRFIFZWXKY-BEFAXECRSA-N -1 1 400.544 4.365 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)c2)cc1 ZINC000430474195 858185862 /nfs/dbraw/zinc/18/58/62/858185862.db2.gz DOPIPCDNFXDDFN-VQIMIIECSA-N -1 1 416.543 4.147 20 0 HIADMM C[C@H](C(=O)Nc1cc([O-])c(Br)cc1Br)N1[C@H](C)CC[C@H]1C ZINC000431442584 858617562 /nfs/dbraw/zinc/61/75/62/858617562.db2.gz DFCYBAPTPLZSOL-OPRDCNLKSA-N -1 1 420.145 4.117 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)cc1 ZINC000431453359 858624585 /nfs/dbraw/zinc/62/45/85/858624585.db2.gz UBCIXQPWCFTECG-UHFFFAOYSA-N -1 1 413.065 4.372 20 0 HIADMM Cn1cc(Cl)cc1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431458278 858626703 /nfs/dbraw/zinc/62/67/03/858626703.db2.gz OITOBNFJBQRXAZ-UHFFFAOYSA-N -1 1 408.477 4.161 20 0 HIADMM COc1ccc2c(c1)[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c3ccccc3)c1)CC2 ZINC000431495626 858643566 /nfs/dbraw/zinc/64/35/66/858643566.db2.gz QHEPYYHKOXFWFU-OAQYLSRUSA-N -1 1 422.506 4.165 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(CC2CCC2)C(C)C)cc1 ZINC000431551303 858667120 /nfs/dbraw/zinc/66/71/20/858667120.db2.gz UROVQFVYAQKTCO-UHFFFAOYSA-N -1 1 400.544 4.447 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(O)ccc1Cl ZINC000431675235 858731870 /nfs/dbraw/zinc/73/18/70/858731870.db2.gz XEDKZWYQJQKQTK-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c(Cl)cncc1Cl ZINC000432000122 858914846 /nfs/dbraw/zinc/91/48/46/858914846.db2.gz FXZDYXABCNZCKR-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cc1 ZINC000432059072 858957237 /nfs/dbraw/zinc/95/72/37/858957237.db2.gz DYFYRXHFFLNYHT-UHFFFAOYSA-N -1 1 400.422 4.286 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(COC4CCCCC4)c3)ccc2[nH]1 ZINC000432183759 859036336 /nfs/dbraw/zinc/03/63/36/859036336.db2.gz BPSCQZFVDPTDPG-UHFFFAOYSA-N -1 1 412.511 4.178 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3c(F)cccc3Oc3ccccc3)ccc2[nH]1 ZINC000432192264 859039793 /nfs/dbraw/zinc/03/97/93/859039793.db2.gz MDUAEVVBBQZMCV-UHFFFAOYSA-N -1 1 410.426 4.260 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)ccc1Br ZINC000432199999 859043038 /nfs/dbraw/zinc/04/30/38/859043038.db2.gz CYFRHRMMOGLZEK-UHFFFAOYSA-N -1 1 423.288 4.277 20 0 HIADMM O=S(=O)([N-]CC[C@H](c1ccccc1)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000432260874 859073067 /nfs/dbraw/zinc/07/30/67/859073067.db2.gz WSEPVTTUIRMVFS-GFCCVEGCSA-N -1 1 412.355 4.115 20 0 HIADMM O=C(NC[C@@H]1CCC(F)(F)C1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000432419286 859156419 /nfs/dbraw/zinc/15/64/19/859156419.db2.gz AUDAFNWQTHVSAV-CQSZACIVSA-N -1 1 409.458 4.044 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2noc(C3CC3)n2)c1)c1cccc(Br)c1 ZINC000432481979 859186881 /nfs/dbraw/zinc/18/68/81/859186881.db2.gz DQQJFOSCNPXZAJ-UHFFFAOYSA-N -1 1 420.288 4.177 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Nc3ccccc3)ccc2N1 ZINC000432491953 859191859 /nfs/dbraw/zinc/19/18/59/859191859.db2.gz HMQGWKJWVVKMEZ-UHFFFAOYSA-N -1 1 413.886 4.379 20 0 HIADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000432591868 859243365 /nfs/dbraw/zinc/24/33/65/859243365.db2.gz HJJCKRKZJBGSKG-HNNXBMFYSA-N -1 1 402.491 4.031 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1C ZINC000432633655 859264641 /nfs/dbraw/zinc/26/46/41/859264641.db2.gz MNRGJLWLKFNFPB-UHFFFAOYSA-N -1 1 415.437 4.264 20 0 HIADMM COC(=O)c1c[n-]c(S[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)n1 ZINC000432653432 859274932 /nfs/dbraw/zinc/27/49/32/859274932.db2.gz FAJCABPQNOAPJQ-JTQLQIEISA-N -1 1 412.496 4.427 20 0 HIADMM CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1nc(C(=O)OC)c[n-]1 ZINC000432661112 859278366 /nfs/dbraw/zinc/27/83/66/859278366.db2.gz UNTJOHHKQNNKQO-UHFFFAOYSA-N -1 1 409.939 4.486 20 0 HIADMM CCCc1ccc(-c2csc(NC(=O)CSc3nc(C(=O)OC)c[n-]3)n2)cc1 ZINC000432671826 859283391 /nfs/dbraw/zinc/28/33/91/859283391.db2.gz WIKZMCAUGCJDDN-UHFFFAOYSA-N -1 1 416.528 4.003 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1Cl ZINC000432771752 859351601 /nfs/dbraw/zinc/35/16/01/859351601.db2.gz ZAMCKZXSVMYGPF-UHFFFAOYSA-N -1 1 420.874 4.303 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3ccc(C(C)C)cc3)c2)n1 ZINC000432907468 859422292 /nfs/dbraw/zinc/42/22/92/859422292.db2.gz VUDMFZNFTZSHET-UHFFFAOYSA-N -1 1 407.474 4.094 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3cc(CC)ccc3CC)c2)n1 ZINC000433000448 859471739 /nfs/dbraw/zinc/47/17/39/859471739.db2.gz WPYSOILERSTIQZ-UHFFFAOYSA-N -1 1 421.501 4.095 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C)cc(F)c3)cc2)cc1 ZINC000433311185 859632038 /nfs/dbraw/zinc/63/20/38/859632038.db2.gz LBZTZXZSXUJDSY-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ncccc2Br)c(C)cc1Br ZINC000433398383 859677627 /nfs/dbraw/zinc/67/76/27/859677627.db2.gz LIJFXLPFLJSLKS-UHFFFAOYSA-N -1 1 420.126 4.024 20 0 HIADMM COCCC1(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)CCCC1 ZINC000433430980 859698179 /nfs/dbraw/zinc/69/81/79/859698179.db2.gz PGHVQJIKQBKSKW-UHFFFAOYSA-N -1 1 416.790 4.039 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCCN(c2ccccc2)C1)c1cc(Cl)sc1Cl ZINC000433452618 859709631 /nfs/dbraw/zinc/70/96/31/859709631.db2.gz HJJYMYCFHDACPG-LBPRGKRZSA-N -1 1 405.372 4.250 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(OCC(=O)Nc3ccccc3)c2)c1 ZINC000433521873 859752382 /nfs/dbraw/zinc/75/23/82/859752382.db2.gz XAVDVWPBCOCRHT-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1nc(C)cs1 ZINC000433633344 859818003 /nfs/dbraw/zinc/81/80/03/859818003.db2.gz LRVVXSMWRLEMEX-SSDOTTSWSA-N -1 1 415.787 4.359 20 0 HIADMM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Br)sc2Cl)cs1 ZINC000433646214 859823029 /nfs/dbraw/zinc/82/30/29/859823029.db2.gz RUHIEEBVBFVAEC-LURJTMIESA-N -1 1 415.787 4.222 20 0 HIADMM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cc(Br)sc1Cl ZINC000433658456 859827591 /nfs/dbraw/zinc/82/75/91/859827591.db2.gz ZVIVWMJITIFREK-UHFFFAOYSA-N -1 1 417.737 4.191 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3cccc(O)c3)c2)cc1 ZINC000433926157 859976180 /nfs/dbraw/zinc/97/61/80/859976180.db2.gz JLOFYULNLCWGAZ-KRWDZBQOSA-N -1 1 424.522 4.335 20 0 HIADMM CCSCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000434292187 860258269 /nfs/dbraw/zinc/25/82/69/860258269.db2.gz KCDYNPZJFLETCY-QGZVFWFLSA-N -1 1 420.600 4.400 20 0 HIADMM Cc1cc(F)ccc1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000434338170 860298716 /nfs/dbraw/zinc/29/87/16/860298716.db2.gz IPFHVCYAMOVZPN-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCSC(C)(C)C3)cc2)c1 ZINC000434370922 860317519 /nfs/dbraw/zinc/31/75/19/860317519.db2.gz BWKOLNAOZPMTPB-UHFFFAOYSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000467748502 881554605 /nfs/dbraw/zinc/55/46/05/881554605.db2.gz YUGOVHKDMULCHG-CXAGYDPISA-N -1 1 407.488 4.182 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435428885 860796415 /nfs/dbraw/zinc/79/64/15/860796415.db2.gz UWXQPBYZAJGSGE-XJKSGUPXSA-N -1 1 422.280 4.470 20 0 HIADMM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1OC ZINC000435426600 860796598 /nfs/dbraw/zinc/79/65/98/860796598.db2.gz IWSRQOJMGDQQER-SNVBAGLBSA-N -1 1 422.305 4.059 20 0 HIADMM CC[C@](C)(OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000435469575 860809411 /nfs/dbraw/zinc/80/94/11/860809411.db2.gz VXJPGNKPLKDROO-IBGZPJMESA-N -1 1 410.923 4.203 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000467772449 881590094 /nfs/dbraw/zinc/59/00/94/881590094.db2.gz TURXJGCJCGYQCH-UHFFFAOYSA-N -1 1 417.283 4.125 20 0 HIADMM CC[C@@](C)(OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000435579022 860894695 /nfs/dbraw/zinc/89/46/95/860894695.db2.gz JHHOKEXAHRJKKQ-GOSISDBHSA-N -1 1 414.886 4.034 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Br)c1ccc(Cl)cc1F ZINC000435724016 861008828 /nfs/dbraw/zinc/00/88/28/861008828.db2.gz RGQJJIGXSFJJRP-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1c(Cl)cc(Cl)cc1Cl ZINC000467796144 881619335 /nfs/dbraw/zinc/61/93/35/881619335.db2.gz FSCYIDOCIASMRB-KGLIPLIRSA-N -1 1 408.738 4.306 20 0 HIADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc(Cl)cc(Br)c1F ZINC000435906991 861167559 /nfs/dbraw/zinc/16/75/59/861167559.db2.gz MYNQIVUAGCPBIC-UHFFFAOYSA-N -1 1 418.597 4.450 20 0 HIADMM COc1cc(NC(=O)N2CCC[C@H]2c2cccc(C)c2C)ccc1[N-]S(C)(=O)=O ZINC000438075127 863464270 /nfs/dbraw/zinc/46/42/70/863464270.db2.gz HNRRLBDZHMNJIQ-IBGZPJMESA-N -1 1 417.531 4.053 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)o1 ZINC000438362006 863825634 /nfs/dbraw/zinc/82/56/34/863825634.db2.gz ZLCITTKYGOPLDP-CQSZACIVSA-N -1 1 416.524 4.293 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1 ZINC000438723880 864206809 /nfs/dbraw/zinc/20/68/09/864206809.db2.gz OAURWLJEBASQLN-UHFFFAOYSA-N -1 1 414.483 4.090 20 0 HIADMM CCOc1cc(-c2noc(CCC(=O)c3cccs3)n2)cc(Br)c1[O-] ZINC000438746025 864233660 /nfs/dbraw/zinc/23/36/60/864233660.db2.gz OROJGCSYEMFWCS-UHFFFAOYSA-N -1 1 423.288 4.480 20 0 HIADMM Cc1ccnc(Oc2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc2C)c1 ZINC000438771706 864265682 /nfs/dbraw/zinc/26/56/82/864265682.db2.gz OAUHJVKRGNDDNA-UHFFFAOYSA-N -1 1 416.430 4.129 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)NC(=O)CC4)cc2s1 ZINC000438776149 864271780 /nfs/dbraw/zinc/27/17/80/864271780.db2.gz HXKDVTOJZNPZET-UHFFFAOYSA-N -1 1 415.540 4.279 20 0 HIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)cc2)n1 ZINC000438778566 864273314 /nfs/dbraw/zinc/27/33/14/864273314.db2.gz MMCOCFFAJBRMDW-UHFFFAOYSA-N -1 1 422.279 4.154 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2)cc1 ZINC000438790304 864282443 /nfs/dbraw/zinc/28/24/43/864282443.db2.gz KNEIKIYCMPXHPK-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc(F)c(Br)c1 ZINC000438796913 864289272 /nfs/dbraw/zinc/28/92/72/864289272.db2.gz NWBMGNSTTZUQCD-UHFFFAOYSA-N -1 1 413.312 4.379 20 0 HIADMM Cc1ccc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000439010519 864461708 /nfs/dbraw/zinc/46/17/08/864461708.db2.gz ZYYJNTBESBXNRH-AEFFLSMTSA-N -1 1 402.516 4.082 20 0 HIADMM CCN(Cc1ccccn1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000439017410 864468453 /nfs/dbraw/zinc/46/84/53/864468453.db2.gz FMRUUHNYHRDSCM-UHFFFAOYSA-N -1 1 423.538 4.162 20 0 HIADMM Cn1ccc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])cc21 ZINC000439099387 864539795 /nfs/dbraw/zinc/53/97/95/864539795.db2.gz QOUVHDNPNGKYCM-OAQYLSRUSA-N -1 1 413.477 4.280 20 0 HIADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)s1 ZINC000439189586 864617739 /nfs/dbraw/zinc/61/77/39/864617739.db2.gz NBRVVGYVTMNQKX-SECBINFHSA-N -1 1 411.409 4.297 20 0 HIADMM CCc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3cccc4ccccc43)c2)n1 ZINC000439569641 864892899 /nfs/dbraw/zinc/89/28/99/864892899.db2.gz LCYVOHIJLHIBCS-UHFFFAOYSA-N -1 1 405.479 4.366 20 0 HIADMM O=C(NCc1cccs1)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1Cl ZINC000439574157 864895656 /nfs/dbraw/zinc/89/56/56/864895656.db2.gz QQPSXRISCAXDCL-UHFFFAOYSA-N -1 1 424.906 4.271 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(OCCO)cc2C(F)(F)F)c1C ZINC000467948240 881816068 /nfs/dbraw/zinc/81/60/68/881816068.db2.gz IAQMAQOZKOOTIK-UHFFFAOYSA-N -1 1 417.449 4.111 20 0 HIADMM Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000439702992 865039807 /nfs/dbraw/zinc/03/98/07/865039807.db2.gz GSVBUYVRJKINCG-HNNXBMFYSA-N -1 1 415.371 4.233 20 0 HIADMM CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000439885207 865197762 /nfs/dbraw/zinc/19/77/62/865197762.db2.gz AIWUXPCHPQPPRR-UHFFFAOYSA-N -1 1 412.515 4.040 20 0 HIADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000440012393 865310955 /nfs/dbraw/zinc/31/09/55/865310955.db2.gz PYDKRBKDOBZBEV-BDTNDASRSA-N -1 1 406.526 4.235 20 0 HIADMM CC(C)c1cnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000440211998 865447173 /nfs/dbraw/zinc/44/71/73/865447173.db2.gz CUWHQHCDIJEKPV-KRWDZBQOSA-N -1 1 409.511 4.369 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)ccc1F ZINC000440285029 865536182 /nfs/dbraw/zinc/53/61/82/865536182.db2.gz STEGJTANSGUJIF-UHFFFAOYSA-N -1 1 404.385 4.080 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)CC[C@@H]3C)ccc2C)cc1 ZINC000440404343 865695729 /nfs/dbraw/zinc/69/57/29/865695729.db2.gz FWCRSPZPIIXUFN-AEFFLSMTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)CC[C@@H]3C)c2)c1 ZINC000440403712 865696918 /nfs/dbraw/zinc/69/69/18/865696918.db2.gz ACDQIVDRIZEHBX-AEFFLSMTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000440629782 865848213 /nfs/dbraw/zinc/84/82/13/865848213.db2.gz OEYJMUQPNHRGRX-KXBFYZLASA-N -1 1 406.486 4.078 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(CCC(F)(F)F)c2)o1 ZINC000440711708 865871503 /nfs/dbraw/zinc/87/15/03/865871503.db2.gz JKBLMICEBJNFQH-UHFFFAOYSA-N -1 1 418.437 4.104 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1Cl ZINC000440828462 865943499 /nfs/dbraw/zinc/94/34/99/865943499.db2.gz UETBIDMTONUQAA-UHFFFAOYSA-N -1 1 416.886 4.298 20 0 HIADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c1 ZINC000440836331 865948619 /nfs/dbraw/zinc/94/86/19/865948619.db2.gz ZJQLDMYBQWKCPJ-UHFFFAOYSA-N -1 1 416.524 4.025 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3cccc(CCC(F)(F)F)c3)ccc2N1 ZINC000441715759 866817620 /nfs/dbraw/zinc/81/76/20/866817620.db2.gz NFMQZOVRXLEHRB-UHFFFAOYSA-N -1 1 412.433 4.257 20 0 HIADMM COc1ccc2occ(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)c2c1 ZINC000442289086 867308646 /nfs/dbraw/zinc/30/86/46/867308646.db2.gz FNCJJOISLDJUOZ-UHFFFAOYSA-N -1 1 422.462 4.495 20 0 HIADMM Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2)c1 ZINC000442346148 867338157 /nfs/dbraw/zinc/33/81/57/867338157.db2.gz HWCBSCXJRVEGHD-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cccc(F)c3)c(F)c2)cc1 ZINC000442596970 867551039 /nfs/dbraw/zinc/55/10/39/867551039.db2.gz HWUDCVVOYZZWTL-UHFFFAOYSA-N -1 1 416.449 4.134 20 0 HIADMM COc1cc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc(Cl)c1[O-] ZINC000442733761 867656300 /nfs/dbraw/zinc/65/63/00/867656300.db2.gz BXJCAZOKEALGQD-UHFFFAOYSA-N -1 1 415.808 4.093 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc(Cl)c1[O-] ZINC000442930335 867747451 /nfs/dbraw/zinc/74/74/51/867747451.db2.gz HXXYFOHQIFVCCP-QZTJIDSGSA-N -1 1 405.878 4.379 20 0 HIADMM COc1cc(C(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)cc(Cl)c1[O-] ZINC000443062804 867806456 /nfs/dbraw/zinc/80/64/56/867806456.db2.gz XMIOYEVQWQQUHW-UHFFFAOYSA-N -1 1 418.799 4.055 20 0 HIADMM CC[C@@]1(C)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000468229341 882121376 /nfs/dbraw/zinc/12/13/76/882121376.db2.gz YVFPJQGMKSKWFK-FQEVSTJZSA-N -1 1 408.470 4.028 20 0 HIADMM COc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc(Cl)c1[O-] ZINC000443126137 867832139 /nfs/dbraw/zinc/83/21/39/867832139.db2.gz GOYJTBAQENLXNH-NSHDSACASA-N -1 1 415.704 4.370 20 0 HIADMM CCOc1cc(-c2nc(COc3c(OC)cccc3OC)no2)cc(Cl)c1[O-] ZINC000443200289 867872916 /nfs/dbraw/zinc/87/29/16/867872916.db2.gz VNGVJNJUQSYBDL-UHFFFAOYSA-N -1 1 406.822 4.091 20 0 HIADMM CCOc1cc(-c2nc(Cc3ccc(OCCOC)cc3)no2)cc(Cl)c1[O-] ZINC000443204579 867873258 /nfs/dbraw/zinc/87/32/58/867873258.db2.gz POTXTJYLQSMSFJ-UHFFFAOYSA-N -1 1 404.850 4.110 20 0 HIADMM CCOc1cc(-c2nc([C@@H]3CC(=O)N(Cc4ccccc4)C3)no2)cc(Cl)c1[O-] ZINC000443207318 867874540 /nfs/dbraw/zinc/87/45/40/867874540.db2.gz IJUCRJQEGYXDKZ-OAHLLOKOSA-N -1 1 413.861 4.010 20 0 HIADMM COc1cc(-c2nc(-c3ccc4c(c3)[C@@H](SC)C(=O)N4)no2)cc(Cl)c1[O-] ZINC000443210769 867876738 /nfs/dbraw/zinc/87/67/38/867876738.db2.gz WRISPLBDFRPXKK-OAHLLOKOSA-N -1 1 403.847 4.127 20 0 HIADMM COc1cc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000443212406 867878359 /nfs/dbraw/zinc/87/83/59/867878359.db2.gz DPERBJUZRGRJCA-GFCCVEGCSA-N -1 1 414.811 4.082 20 0 HIADMM COc1cc(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)cc(Cl)c1[O-] ZINC000443286636 867890353 /nfs/dbraw/zinc/89/03/53/867890353.db2.gz PYRDYALQTOWQTI-JTQLQIEISA-N -1 1 414.683 4.014 20 0 HIADMM COc1cc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc(Cl)c1[O-] ZINC000443289869 867891939 /nfs/dbraw/zinc/89/19/39/867891939.db2.gz ZVSVWJSMEJWZRE-UHFFFAOYSA-N -1 1 410.282 4.402 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1 ZINC000443407235 867986621 /nfs/dbraw/zinc/98/66/21/867986621.db2.gz HQOVMGOYFFILAS-INIZCTEOSA-N -1 1 416.543 4.067 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000443407702 867989934 /nfs/dbraw/zinc/98/99/34/867989934.db2.gz QNFDPOFTAPXQAX-MHZLTWQESA-N -1 1 415.536 4.194 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC000443407701 867990444 /nfs/dbraw/zinc/99/04/44/867990444.db2.gz QNFDPOFTAPXQAX-HHHXNRCGSA-N -1 1 415.536 4.194 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(-n4cccn4)c(F)c3)c2)n1 ZINC000443409349 867991603 /nfs/dbraw/zinc/99/16/03/867991603.db2.gz XEAFBMIGTGISAX-UHFFFAOYSA-N -1 1 414.487 4.244 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(OCCOC)c(Cl)c2)c1 ZINC000443410836 867992215 /nfs/dbraw/zinc/99/22/15/867992215.db2.gz BYHKGDFCCRPKCL-UHFFFAOYSA-N -1 1 420.314 4.218 20 0 HIADMM COCCCOc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000443412700 867998735 /nfs/dbraw/zinc/99/87/35/867998735.db2.gz JXMMDRNWTMSKIC-UHFFFAOYSA-N -1 1 418.540 4.335 20 0 HIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1C ZINC000443455224 868044478 /nfs/dbraw/zinc/04/44/78/868044478.db2.gz NEQCICKOTFJKAZ-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM Cc1nc(C(=O)[N-]c2c(F)cc(Br)cc2F)nn1-c1ccc(F)cc1 ZINC000443878192 868410060 /nfs/dbraw/zinc/41/00/60/868410060.db2.gz KGXSIINYEQXVKL-UHFFFAOYSA-N -1 1 411.181 4.008 20 0 HIADMM CCC(C)(C)c1ccc(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000443974241 868503224 /nfs/dbraw/zinc/50/32/24/868503224.db2.gz UCRDFULPVRGDDU-UHFFFAOYSA-N -1 1 418.541 4.489 20 0 HIADMM Cc1nc2ccccc2n1CCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444356230 868781574 /nfs/dbraw/zinc/78/15/74/868781574.db2.gz CVBDJYSLYXEAIG-UHFFFAOYSA-N -1 1 420.513 4.142 20 0 HIADMM Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cnn1CCC(C)C ZINC000444375690 868800097 /nfs/dbraw/zinc/80/00/97/868800097.db2.gz QHKBTFCKKQWSBK-UHFFFAOYSA-N -1 1 412.534 4.258 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3cccc(O)c3)cc2)cc1C ZINC000444458597 868835817 /nfs/dbraw/zinc/83/58/17/868835817.db2.gz VCVSNTDRECKXKO-KRWDZBQOSA-N -1 1 424.522 4.301 20 0 HIADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)s1 ZINC000444463839 868839161 /nfs/dbraw/zinc/83/91/61/868839161.db2.gz CTIXKWDWXRNRTL-UHFFFAOYSA-N -1 1 417.903 4.887 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3cccc(O)c3)cc2)c1C ZINC000444488796 868853885 /nfs/dbraw/zinc/85/38/85/868853885.db2.gz XQZPUPJGMGZZNN-KRWDZBQOSA-N -1 1 424.522 4.301 20 0 HIADMM O=C(Nc1nc(C2CCC2)cs1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000444530721 868870340 /nfs/dbraw/zinc/87/03/40/868870340.db2.gz CNSIFOSQAXAZMK-UHFFFAOYSA-N -1 1 413.524 4.464 20 0 HIADMM CC[C@H](C)[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(F)(F)F ZINC000444541599 868874846 /nfs/dbraw/zinc/87/48/46/868874846.db2.gz HWJXHCFIQXRMBG-SUMWQHHRSA-N -1 1 414.449 4.194 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444550919 868878842 /nfs/dbraw/zinc/87/88/42/868878842.db2.gz OSQUFJUNFJZLMN-NRFANRHFSA-N -1 1 412.493 4.163 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC34CCC4)c2)cc1 ZINC000444627676 868918268 /nfs/dbraw/zinc/91/82/68/868918268.db2.gz FJORMRVFBHPGIA-UHFFFAOYSA-N -1 1 414.527 4.045 20 0 HIADMM CC(C)[C@H](C)N(C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1CC1 ZINC000444718388 868973950 /nfs/dbraw/zinc/97/39/50/868973950.db2.gz OQJCKHSHVRHKHK-KRWDZBQOSA-N -1 1 415.559 4.206 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C[C@@H](C)c3ccc(C(C)C)cc3)CC2)n1 ZINC000444759831 868989577 /nfs/dbraw/zinc/98/95/77/868989577.db2.gz IPUILPFONPVPCJ-MRXNPFEDSA-N -1 1 412.534 4.005 20 0 HIADMM CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cc1 ZINC000445270822 869317805 /nfs/dbraw/zinc/31/78/05/869317805.db2.gz VLXKFXSPUUHIQG-CYBMUJFWSA-N -1 1 408.458 4.095 20 0 HIADMM COc1cc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)cc(Cl)c1[O-] ZINC000445337902 869400020 /nfs/dbraw/zinc/40/00/20/869400020.db2.gz YRVKSCAQHMRFJV-UHFFFAOYSA-N -1 1 408.241 4.247 20 0 HIADMM CCO[C@@H](Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1)C1=CCCC1 ZINC000445388496 869474208 /nfs/dbraw/zinc/47/42/08/869474208.db2.gz CPJGBVVIQDGDKV-AWEZNQCLSA-N -1 1 409.280 4.271 20 0 HIADMM COc1cc(-c2noc(-c3cc4c(C)nn(C)c4s3)n2)cc(Br)c1[O-] ZINC000445391580 869477526 /nfs/dbraw/zinc/47/75/26/869477526.db2.gz KZPOBBPNHZRTNL-UHFFFAOYSA-N -1 1 421.276 4.137 20 0 HIADMM COc1cc(-c2noc(-c3cnn(CCC(C)C)c3C)n2)cc(Br)c1[O-] ZINC000445397768 869482855 /nfs/dbraw/zinc/48/28/55/869482855.db2.gz LVIYYKHXZOZJQN-UHFFFAOYSA-N -1 1 421.295 4.431 20 0 HIADMM COc1cc(-c2noc(-c3ccc(N(C)C)cc3F)n2)cc(Br)c1[O-] ZINC000445397185 869482953 /nfs/dbraw/zinc/48/29/53/869482953.db2.gz DWSHULIXBKPNIX-UHFFFAOYSA-N -1 1 408.227 4.085 20 0 HIADMM COc1cc(-c2noc(-c3csc([C@H]4CCCO4)n3)n2)cc(Br)c1[O-] ZINC000445398119 869484328 /nfs/dbraw/zinc/48/43/28/869484328.db2.gz QFDBGLXASZTCCN-LLVKDONJSA-N -1 1 424.276 4.188 20 0 HIADMM COc1cc(-c2noc([C@@H](C)Oc3ccccc3F)n2)cc(Br)c1[O-] ZINC000445407094 869490631 /nfs/dbraw/zinc/49/06/31/869490631.db2.gz YDRKEURWSXKJFB-SECBINFHSA-N -1 1 409.211 4.492 20 0 HIADMM CCOc1cc(-c2noc(-c3cn(CC(F)(F)F)nc3C)n2)cc(Cl)c1[O-] ZINC000445407596 869491887 /nfs/dbraw/zinc/49/18/87/869491887.db2.gz PKIOOWHUJITTMP-UHFFFAOYSA-N -1 1 402.760 4.229 20 0 HIADMM CCOc1cc(-c2noc(C[C@@H]3COc4cc(OC)ccc43)n2)cc(Cl)c1[O-] ZINC000445431795 869516871 /nfs/dbraw/zinc/51/68/71/869516871.db2.gz PWCMBUKNQLYVDO-GFCCVEGCSA-N -1 1 402.834 4.222 20 0 HIADMM COc1ccc(-c2nnc(SCc3nc(-c4ccc([O-])cc4Cl)no3)o2)cc1 ZINC000445444889 869526035 /nfs/dbraw/zinc/52/60/35/869526035.db2.gz KRKOPBKYZOWPEP-UHFFFAOYSA-N -1 1 416.846 4.447 20 0 HIADMM O=C(N[C@@H](Cc1nc(-c2ccc([O-])cc2F)no1)c1ccccc1)c1ccccc1 ZINC000445456368 869535161 /nfs/dbraw/zinc/53/51/61/869535161.db2.gz OAWOBVNAAWIKDS-FQEVSTJZSA-N -1 1 403.413 4.295 20 0 HIADMM [O-]c1ccc(-c2noc(-c3n[nH]c(-c4ccccc4)c3Br)n2)cc1F ZINC000445478199 869550259 /nfs/dbraw/zinc/55/02/59/869550259.db2.gz BVSYBHKUWWEMRW-UHFFFAOYSA-N -1 1 401.195 4.401 20 0 HIADMM [O-]c1ccc(-c2noc(-c3cc(F)c(F)cc3I)n2)cc1F ZINC000445481799 869554489 /nfs/dbraw/zinc/55/44/89/869554489.db2.gz JQTPDEJCXSGTAD-UHFFFAOYSA-N -1 1 418.112 4.131 20 0 HIADMM [O-]c1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1F ZINC000445486696 869556826 /nfs/dbraw/zinc/55/68/26/869556826.db2.gz OXPOSBYIWJHTNK-UHFFFAOYSA-N -1 1 423.473 4.391 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc([C@@H]4CCCOC4)no3)c2)c1 ZINC000445519414 869580432 /nfs/dbraw/zinc/58/04/32/869580432.db2.gz GUUOPXHTUBCBCH-QGZVFWFLSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cncs4)no3)ccc2C)cc1 ZINC000445586746 869647267 /nfs/dbraw/zinc/64/72/67/869647267.db2.gz GDMDLFCRDRIEGJ-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3ccc(Cl)o3)no2)c1)c1ccccc1 ZINC000445592364 869655369 /nfs/dbraw/zinc/65/53/69/869655369.db2.gz QAMLZODSVUZFPF-UHFFFAOYSA-N -1 1 401.831 4.451 20 0 HIADMM Cc1cscc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000445634465 869701258 /nfs/dbraw/zinc/70/12/58/869701258.db2.gz IZEYDRRNUHQVIV-SNVBAGLBSA-N -1 1 417.434 4.165 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(C3CC3)cn2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000445851489 869858688 /nfs/dbraw/zinc/85/86/88/869858688.db2.gz FRDMGVUIMTVLOV-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1-c1cccs1 ZINC000446971729 870870131 /nfs/dbraw/zinc/87/01/31/870870131.db2.gz NUCFDSLCCHTAAL-UHFFFAOYSA-N -1 1 403.529 4.340 20 0 HIADMM COCc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000447009486 870890306 /nfs/dbraw/zinc/89/03/06/870890306.db2.gz YYMROHOISNKGPG-UHFFFAOYSA-N -1 1 424.238 4.415 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447184226 871076421 /nfs/dbraw/zinc/07/64/21/871076421.db2.gz MSZNDZFECFODGM-UHFFFAOYSA-N -1 1 412.342 4.371 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1cc2c(cc1Cl)OCCO2 ZINC000447258779 871135320 /nfs/dbraw/zinc/13/53/20/871135320.db2.gz FMHKHFQLZIFYMX-UHFFFAOYSA-N -1 1 409.822 4.311 20 0 HIADMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1 ZINC000447270655 871157510 /nfs/dbraw/zinc/15/75/10/871157510.db2.gz LUUNRJIMBJWJLA-UHFFFAOYSA-N -1 1 413.499 4.099 20 0 HIADMM Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)n1 ZINC000447482144 871368619 /nfs/dbraw/zinc/36/86/19/871368619.db2.gz YIIJKCIWNVFQHE-CYBMUJFWSA-N -1 1 412.446 4.109 20 0 HIADMM Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)n1 ZINC000447482144 871368637 /nfs/dbraw/zinc/36/86/37/871368637.db2.gz YIIJKCIWNVFQHE-CYBMUJFWSA-N -1 1 412.446 4.109 20 0 HIADMM CC(C)c1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447491713 871373345 /nfs/dbraw/zinc/37/33/45/871373345.db2.gz SPMKPIULNRTNBU-AWEZNQCLSA-N -1 1 415.490 4.140 20 0 HIADMM CC(C)c1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447491713 871373363 /nfs/dbraw/zinc/37/33/63/871373363.db2.gz SPMKPIULNRTNBU-AWEZNQCLSA-N -1 1 415.490 4.140 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4cc[nH]c4c3)c2)cc1 ZINC000447644048 871565238 /nfs/dbraw/zinc/56/52/38/871565238.db2.gz SEMSHHBONHBOJC-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](c3ccccc3)[C@@H](C)CC)c2)n1 ZINC000447667857 871597058 /nfs/dbraw/zinc/59/70/58/871597058.db2.gz AOBDUTFLCDCCAZ-JXFKEZNVSA-N -1 1 420.513 4.095 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447776304 871704900 /nfs/dbraw/zinc/70/49/00/871704900.db2.gz KWWSKDRIJDBLMD-UHFFFAOYSA-N -1 1 417.739 4.483 20 0 HIADMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000447786951 871719345 /nfs/dbraw/zinc/71/93/45/871719345.db2.gz IDBMCXNXJGXESX-UHFFFAOYSA-N -1 1 401.406 4.457 20 0 HIADMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)c2)n1 ZINC000447785900 871719385 /nfs/dbraw/zinc/71/93/85/871719385.db2.gz KBXDXYLAHRFMOV-UHFFFAOYSA-N -1 1 412.389 4.500 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000447865102 871788053 /nfs/dbraw/zinc/78/80/53/871788053.db2.gz JAYTYLZMBAWUMU-OAQYLSRUSA-N -1 1 408.477 4.090 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)c1 ZINC000448039199 871872056 /nfs/dbraw/zinc/87/20/56/871872056.db2.gz PFDIQZKGKDSCBR-UHFFFAOYSA-N -1 1 405.516 4.022 20 0 HIADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000448549755 872556752 /nfs/dbraw/zinc/55/67/52/872556752.db2.gz HJPOHIVXMPSNHV-UHFFFAOYSA-N -1 1 409.769 4.046 20 0 HIADMM CC(C)n1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cn1 ZINC000468575157 882646294 /nfs/dbraw/zinc/64/62/94/882646294.db2.gz LPVKQWXVXFMRNE-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM COc1cc(C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)cc(Cl)c1[O-] ZINC000460193421 872764033 /nfs/dbraw/zinc/76/40/33/872764033.db2.gz CHBBSZLASFUNHM-FQEVSTJZSA-N -1 1 421.884 4.460 20 0 HIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)nc1-c1ccccc1 ZINC000460448187 873119302 /nfs/dbraw/zinc/11/93/02/873119302.db2.gz KTXPKMRFRXRNCX-HNNXBMFYSA-N -1 1 411.502 4.436 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccc(F)cn4)no3)c2)c1 ZINC000460639304 873380389 /nfs/dbraw/zinc/38/03/89/873380389.db2.gz VGRDGPRQTGLUFA-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cn4)no3)ccc2C)c1 ZINC000460644507 873385026 /nfs/dbraw/zinc/38/50/26/873385026.db2.gz XGQNFEUTLGPIGD-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)c(Cl)c1Cl ZINC000460820247 873701942 /nfs/dbraw/zinc/70/19/42/873701942.db2.gz MVBSZRVDXXLIJA-UHFFFAOYSA-N -1 1 416.261 4.128 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc(C)c1F ZINC000460827441 873713353 /nfs/dbraw/zinc/71/33/53/873713353.db2.gz FIYIPTUYFRLODL-UHFFFAOYSA-N -1 1 415.368 4.312 20 0 HIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(OCCOCC)cc3)cc21 ZINC000460831072 873716683 /nfs/dbraw/zinc/71/66/83/873716683.db2.gz ULOCYFFRXWLIGJ-UHFFFAOYSA-N -1 1 402.516 4.267 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3ccn(CC(=O)N(C)C)c3c2)cc1 ZINC000460831354 873718959 /nfs/dbraw/zinc/71/89/59/873718959.db2.gz LECHMJRNBNDCJL-INIZCTEOSA-N -1 1 413.543 4.044 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)[C@H]1C1CC1 ZINC000460976203 873869904 /nfs/dbraw/zinc/86/99/04/873869904.db2.gz BHLYTIUFYLQMPR-IBGZPJMESA-N -1 1 418.946 4.401 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4c3cccc4F)cc2)cc1 ZINC000461079550 873984155 /nfs/dbraw/zinc/98/41/55/873984155.db2.gz ZNIWUUITKAYSFG-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccc(C(F)(F)F)s1 ZINC000461113823 874038067 /nfs/dbraw/zinc/03/80/67/874038067.db2.gz NSEYPHFHBSQTIZ-UHFFFAOYSA-N -1 1 421.647 4.379 20 0 HIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)C(C)C)cc3)c2C1 ZINC000461140944 874083640 /nfs/dbraw/zinc/08/36/40/874083640.db2.gz JZSKLRDIYLBOCG-UHFFFAOYSA-N -1 1 400.544 4.442 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](Cc3ccc(C(C)C)cc3)C2)c(=O)[n-]1 ZINC000461161888 874120999 /nfs/dbraw/zinc/12/09/99/874120999.db2.gz OCUOSMIQPMMVRU-GOSISDBHSA-N -1 1 413.587 4.360 20 0 HIADMM COCCCCc1cccnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000461186618 874178554 /nfs/dbraw/zinc/17/85/54/874178554.db2.gz OFZKPCPSNNRBIJ-UHFFFAOYSA-N -1 1 403.331 4.299 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000461191776 874185826 /nfs/dbraw/zinc/18/58/26/874185826.db2.gz IMVYTNGABIWWIT-UWJYYQICSA-N -1 1 416.525 4.137 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC4(CCC4)[C@H]3C3CC3)c2)c1 ZINC000461194918 874193102 /nfs/dbraw/zinc/19/31/02/874193102.db2.gz MULUNMSVCXPQIP-OAQYLSRUSA-N -1 1 410.539 4.201 20 0 HIADMM COCCCCc1cccnc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000461227166 874228936 /nfs/dbraw/zinc/22/89/36/874228936.db2.gz PXRIRNHYTMVKIE-UHFFFAOYSA-N -1 1 403.331 4.299 20 0 HIADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000461289102 874295283 /nfs/dbraw/zinc/29/52/83/874295283.db2.gz MSUWRGAYDLPEPM-LJQANCHMSA-N -1 1 422.550 4.465 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)c2ccccc12 ZINC000468793161 882862993 /nfs/dbraw/zinc/86/29/93/882862993.db2.gz CBQUNGHOGWJZIB-UHFFFAOYSA-N -1 1 409.467 4.473 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2F)C1)c1c(Cl)cc(F)cc1Cl ZINC000462143227 875241010 /nfs/dbraw/zinc/24/10/10/875241010.db2.gz WFPFEDRNNXBDFJ-NSHDSACASA-N -1 1 421.296 4.076 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1C(C)(C)C)c1nc(-c2ccncc2)no1 ZINC000462164959 875260449 /nfs/dbraw/zinc/26/04/49/875260449.db2.gz PGANLVAZNDYJIL-GOSISDBHSA-N -1 1 414.531 4.105 20 0 HIADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000462320347 875439937 /nfs/dbraw/zinc/43/99/37/875439937.db2.gz JJDUPZIWJHSGNV-CYBMUJFWSA-N -1 1 411.829 4.180 20 0 HIADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cc(Cl)c2ccccc21 ZINC000462350557 875465441 /nfs/dbraw/zinc/46/54/41/875465441.db2.gz BQVPNAYFTIYKSP-UHFFFAOYSA-N -1 1 405.859 4.309 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)c1ccccc1 ZINC000462530491 875649302 /nfs/dbraw/zinc/64/93/02/875649302.db2.gz RZFUKUPNAYCYMW-CYBMUJFWSA-N -1 1 402.850 4.006 20 0 HIADMM COc1ccc([C@H]([N-]S(=O)(=O)c2c(C)noc2C)c2ccccc2Cl)c(C)c1 ZINC000462596300 875712646 /nfs/dbraw/zinc/71/26/46/875712646.db2.gz QFOLGDLDFDOFPU-IBGZPJMESA-N -1 1 420.918 4.330 20 0 HIADMM C[C@@H](COCc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000462611992 875725321 /nfs/dbraw/zinc/72/53/21/875725321.db2.gz GDGVJCQYVUQNOK-LBPRGKRZSA-N -1 1 407.841 4.242 20 0 HIADMM CCC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000462698497 875786423 /nfs/dbraw/zinc/78/64/23/875786423.db2.gz CNDUQAGFLGNLNR-GFCCVEGCSA-N -1 1 423.343 4.056 20 0 HIADMM Cc1nn(-c2ccc(F)cc2)cc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000462806545 875853201 /nfs/dbraw/zinc/85/32/01/875853201.db2.gz VLKTWNQECZYURJ-UHFFFAOYSA-N -1 1 404.449 4.106 20 0 HIADMM COc1ccc(C[C@H]2CCCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)cc1 ZINC000462870751 875901055 /nfs/dbraw/zinc/90/10/55/875901055.db2.gz AEPHEZCLOSAYJA-LJQANCHMSA-N -1 1 404.514 4.329 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)ccc1F ZINC000468917839 882978479 /nfs/dbraw/zinc/97/84/79/882978479.db2.gz KJJCESBJBLAFSR-UHFFFAOYSA-N -1 1 404.488 4.322 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)CC(C)C)cc2)cc1OC ZINC000462941165 875964405 /nfs/dbraw/zinc/96/44/05/875964405.db2.gz PRCIWIQUHOSGKS-OAHLLOKOSA-N -1 1 420.531 4.125 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC(c3ccccc3F)C2)cc1 ZINC000463017261 876034626 /nfs/dbraw/zinc/03/46/26/876034626.db2.gz ZKDJXIKIMHDIME-UHFFFAOYSA-N -1 1 424.497 4.175 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1c2ccccc2CCC[C@H]1C ZINC000463049126 876076838 /nfs/dbraw/zinc/07/68/38/876076838.db2.gz QDNYCAKGIIVVNQ-WAIKUNEKSA-N -1 1 416.525 4.315 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1Cl ZINC000463506180 876568288 /nfs/dbraw/zinc/56/82/88/876568288.db2.gz IDIATSRQTMNMHP-QHCPKHFHSA-N -1 1 403.978 4.050 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1Cl ZINC000463511739 876575230 /nfs/dbraw/zinc/57/52/30/876575230.db2.gz HJMJBCVEWAMFEE-UHFFFAOYSA-N -1 1 401.937 4.012 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)cc1Cl ZINC000463514851 876578628 /nfs/dbraw/zinc/57/86/28/876578628.db2.gz ICYKCOCDHLYFMV-UHFFFAOYSA-N -1 1 405.328 4.475 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CC3)ccc2C)cc1Cl ZINC000463535390 876613623 /nfs/dbraw/zinc/61/36/23/876613623.db2.gz ZYYWKZOHVUSVOY-UHFFFAOYSA-N -1 1 410.948 4.063 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)C1C(C)(C)C1(C)C ZINC000468990947 883057805 /nfs/dbraw/zinc/05/78/05/883057805.db2.gz MWOPYMDCBIJXNZ-UHFFFAOYSA-N -1 1 400.544 4.128 20 0 HIADMM O=S(=O)([N-]Cc1ccc(COCC(F)(F)F)cc1)c1c(F)cccc1Cl ZINC000463694244 876814079 /nfs/dbraw/zinc/81/40/79/876814079.db2.gz YVWHPPGEXZHBEN-UHFFFAOYSA-N -1 1 411.804 4.037 20 0 HIADMM O=S(=O)([N-]Cc1ccnc(Oc2ccc(F)cc2)c1)c1c(F)cccc1Cl ZINC000463708829 876828204 /nfs/dbraw/zinc/82/82/04/876828204.db2.gz ZUBVWJKYXFFLBY-UHFFFAOYSA-N -1 1 410.829 4.284 20 0 HIADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000463784573 876903002 /nfs/dbraw/zinc/90/30/02/876903002.db2.gz CKJGGUVIDQOACY-UHFFFAOYSA-N -1 1 401.937 4.278 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)ccc1OC(C)C ZINC000463799543 876918099 /nfs/dbraw/zinc/91/80/99/876918099.db2.gz NGZTUCHRASNBIF-UHFFFAOYSA-N -1 1 401.484 4.445 20 0 HIADMM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000464045580 877185815 /nfs/dbraw/zinc/18/58/15/877185815.db2.gz ILCHCQOGGNLHCE-RBBKRZOGSA-N -1 1 416.525 4.198 20 0 HIADMM CCc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)s1 ZINC000464090411 877244745 /nfs/dbraw/zinc/24/47/45/877244745.db2.gz ZKALASNFHAYDOB-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1c(F)cccc1Cl ZINC000464195961 877367342 /nfs/dbraw/zinc/36/73/42/877367342.db2.gz RPGCKLZYSLATRG-HUUCEWRRSA-N -1 1 408.253 4.080 20 0 HIADMM Cc1ccc(C(=O)N2CC3(C2)CCCCC3)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000503248835 912230181 /nfs/dbraw/zinc/23/01/81/912230181.db2.gz QQNJEONYRTWXJS-UHFFFAOYSA-N -1 1 416.518 4.341 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CC(F)(F)F)ccc2C)c1 ZINC000464270608 877454105 /nfs/dbraw/zinc/45/41/05/877454105.db2.gz ZNKAGSSDFRKMMA-CQSZACIVSA-N -1 1 414.449 4.175 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000464513415 877736043 /nfs/dbraw/zinc/73/60/43/877736043.db2.gz ADMVQSIRWMRETJ-JTSKRJEESA-N -1 1 406.507 4.321 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000464556776 877773089 /nfs/dbraw/zinc/77/30/89/877773089.db2.gz WUGQDSXXFDTGKF-HTAPYJJXSA-N -1 1 406.507 4.321 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@@H]1c1ccccc1 ZINC000464561205 877779370 /nfs/dbraw/zinc/77/93/70/877779370.db2.gz OWAUSURNYNBEAW-AOMKIAJQSA-N -1 1 424.497 4.460 20 0 HIADMM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1C ZINC000464590193 877814907 /nfs/dbraw/zinc/81/49/07/877814907.db2.gz XDIRQPAGQTXIDJ-SFHVURJKSA-N -1 1 418.559 4.341 20 0 HIADMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000464646050 877864562 /nfs/dbraw/zinc/86/45/62/877864562.db2.gz GDOSKNIQPOBAEI-UHFFFAOYSA-N -1 1 407.739 4.309 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000464713973 877940367 /nfs/dbraw/zinc/94/03/67/877940367.db2.gz RTKUZQPJXOBAFC-MRXNPFEDSA-N -1 1 406.573 4.057 20 0 HIADMM Cc1nc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c(C)s1 ZINC000503343096 912319401 /nfs/dbraw/zinc/31/94/01/912319401.db2.gz WENHPBMPLLCJAN-UHFFFAOYSA-N -1 1 423.466 4.091 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCc2c1cccc2Cl ZINC000465033407 878396663 /nfs/dbraw/zinc/39/66/63/878396663.db2.gz YAKXUEIMADBXMV-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccncc3Cl)ccc2C)c1 ZINC000465058009 878420024 /nfs/dbraw/zinc/42/00/24/878420024.db2.gz JGPRSVIGXHXMBD-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000465298234 878741668 /nfs/dbraw/zinc/74/16/68/878741668.db2.gz ZAOWDQJHHCERHE-LIRRHRJNSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](CC(C)C)C3)c2)c1 ZINC000465304175 878749932 /nfs/dbraw/zinc/74/99/32/878749932.db2.gz JBOPFQYFRKKICB-SFHVURJKSA-N -1 1 400.544 4.304 20 0 HIADMM CC(C)C[C@H]1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000465311774 878756357 /nfs/dbraw/zinc/75/63/57/878756357.db2.gz OQVGFXGLZFWIIF-GOSISDBHSA-N -1 1 418.534 4.064 20 0 HIADMM O=S(=O)([N-]c1cccc2ccccc21)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466954659 880734666 /nfs/dbraw/zinc/73/46/66/880734666.db2.gz KMMZZFNYROUKCC-OAHLLOKOSA-N -1 1 401.459 4.195 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4c(ccn4CC(C)C)c3)cc2oc1=O ZINC000466963049 880755279 /nfs/dbraw/zinc/75/52/79/880755279.db2.gz ZJXLZPFXPPYIGW-UHFFFAOYSA-N -1 1 413.499 4.026 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466978588 880780932 /nfs/dbraw/zinc/78/09/32/880780932.db2.gz HBWHNFPAXXHLCQ-LLVKDONJSA-N -1 1 420.289 4.349 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)ccc1C ZINC000467080930 880853063 /nfs/dbraw/zinc/85/30/63/880853063.db2.gz IXWGEFNVCSTFSM-UHFFFAOYSA-N -1 1 403.500 4.042 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1C ZINC000467080731 880853171 /nfs/dbraw/zinc/85/31/71/880853171.db2.gz HZGJKEQJNLPFOO-UHFFFAOYSA-N -1 1 419.543 4.188 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nc1-c1ccccc1 ZINC000467202189 880931699 /nfs/dbraw/zinc/93/16/99/880931699.db2.gz QNFDXQRHZJWCHX-UHFFFAOYSA-N -1 1 423.494 4.050 20 0 HIADMM Cc1c(=O)[n-]c(SCCCS(=O)(=O)c2ccccc2)nc1-c1ccccc1 ZINC000467205156 880934558 /nfs/dbraw/zinc/93/45/58/880934558.db2.gz GLHGGCISQMZMHR-UHFFFAOYSA-N -1 1 400.525 4.114 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)N[C@@H]2CCCc3ccccc32)nc1-c1ccccc1 ZINC000467205781 880936555 /nfs/dbraw/zinc/93/65/55/880936555.db2.gz HWDDCFMBEZBTPZ-LJQANCHMSA-N -1 1 405.523 4.444 20 0 HIADMM Cc1cccc(NC(=O)NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1C ZINC000467212229 880942690 /nfs/dbraw/zinc/94/26/90/880942690.db2.gz UTFXLWUVIATVMG-UHFFFAOYSA-N -1 1 422.510 4.215 20 0 HIADMM CCOc1cc(NC(=O)c2cncc([O-])c2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000469524071 883794186 /nfs/dbraw/zinc/79/41/86/883794186.db2.gz UIVQWPPFJOBCGY-UHFFFAOYSA-N -1 1 421.453 4.089 20 0 HIADMM CCc1ccc(O)c(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1 ZINC000469886798 884077693 /nfs/dbraw/zinc/07/76/93/884077693.db2.gz BXPMOVGOMZHYMW-UHFFFAOYSA-N -1 1 421.678 4.464 20 0 HIADMM O=C([N-]c1sc2c(c1C(=O)c1cccnc1)CCC2)c1cc(-c2ccccn2)no1 ZINC000470033372 884267416 /nfs/dbraw/zinc/26/74/16/884267416.db2.gz XWWRYVCTDVNANS-UHFFFAOYSA-N -1 1 416.462 4.165 20 0 HIADMM COc1ccccc1S(=O)(=O)[N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000503834716 912836854 /nfs/dbraw/zinc/83/68/54/912836854.db2.gz WQUAODMSDKWLEZ-CQSZACIVSA-N -1 1 413.339 4.296 20 0 HIADMM CCOC(=O)c1cnc(C(C)=CC2=Cc3cc(Br)ccc3OC2)[n-]c1=O ZINC000470296584 884672479 /nfs/dbraw/zinc/67/24/79/884672479.db2.gz FJAFWBFTAQHVJB-IZZDOVSWSA-N -1 1 417.259 4.001 20 0 HIADMM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(-c4cc5ccccc5o4)s3)nn2)cc1 ZINC000470373480 884769986 /nfs/dbraw/zinc/76/99/86/884769986.db2.gz MOKCMPGSTXIZGB-UHFFFAOYSA-N -1 1 402.439 4.093 20 0 HIADMM CCc1nc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)nn1-c1ccccc1 ZINC000470375714 884773927 /nfs/dbraw/zinc/77/39/27/884773927.db2.gz SIMYIBBUYRFFFG-UHFFFAOYSA-N -1 1 416.466 4.347 20 0 HIADMM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c(Br)c1 ZINC000470458435 884852873 /nfs/dbraw/zinc/85/28/73/884852873.db2.gz LJTMDSZJCIGNSF-SNVBAGLBSA-N -1 1 408.321 4.250 20 0 HIADMM CCc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000470909329 885416961 /nfs/dbraw/zinc/41/69/61/885416961.db2.gz QFRKSMAXYNEERH-UHFFFAOYSA-N -1 1 410.495 4.316 20 0 HIADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000471109861 885644094 /nfs/dbraw/zinc/64/40/94/885644094.db2.gz INDXTFRLQMBRLR-SFHVURJKSA-N -1 1 415.446 4.409 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1 ZINC000471127268 885664857 /nfs/dbraw/zinc/66/48/57/885664857.db2.gz KYKHSKBZGIPNSR-UHFFFAOYSA-N -1 1 414.449 4.297 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Cl)cn1 ZINC000471129128 885666917 /nfs/dbraw/zinc/66/69/17/885666917.db2.gz LHPIYBJHGPZGAO-CQSZACIVSA-N -1 1 415.902 4.027 20 0 HIADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)[nH]n1 ZINC000471503907 886206045 /nfs/dbraw/zinc/20/60/45/886206045.db2.gz QBJQLLNMEWCQIG-LLVKDONJSA-N -1 1 407.517 4.115 20 0 HIADMM CCCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000471506095 886207120 /nfs/dbraw/zinc/20/71/20/886207120.db2.gz DJWUCAFAQNWQOS-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)CC3(C)C)c2)cc1F ZINC000471698047 886406781 /nfs/dbraw/zinc/40/67/81/886406781.db2.gz NXPVXXUTTUVJOB-CQSZACIVSA-N -1 1 404.507 4.196 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C(C)(C)C1 ZINC000471708277 886416523 /nfs/dbraw/zinc/41/65/23/886416523.db2.gz BRTXOYWMMKEDBX-CYBMUJFWSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1nc2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2o1 ZINC000471750299 886480950 /nfs/dbraw/zinc/48/09/50/886480950.db2.gz NOTDCNKUJHKSMA-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(OC(F)F)c2)c(=O)[n-]1 ZINC000504193720 913076648 /nfs/dbraw/zinc/07/66/48/913076648.db2.gz JKTBWAXVJPVVMG-UHFFFAOYSA-N -1 1 403.838 4.039 20 0 HIADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000471977129 886806604 /nfs/dbraw/zinc/80/66/04/886806604.db2.gz LJVMUGHDVPGHPD-AWEZNQCLSA-N -1 1 411.520 4.072 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000472452683 887305900 /nfs/dbraw/zinc/30/59/00/887305900.db2.gz MHSRHOXGOBDUEL-UHFFFAOYSA-N -1 1 414.509 4.010 20 0 HIADMM CCN(C(=O)c1ccc(I)c([O-])c1)c1ccc2[nH]ccc2c1 ZINC000472969193 887814384 /nfs/dbraw/zinc/81/43/84/887814384.db2.gz IHCVVADSZNAYAP-UHFFFAOYSA-N -1 1 406.223 4.145 20 0 HIADMM CCc1nc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000473371871 888089697 /nfs/dbraw/zinc/08/96/97/888089697.db2.gz HXHVFZFHYIGVSW-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM CCc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)s1 ZINC000473380070 888095933 /nfs/dbraw/zinc/09/59/33/888095933.db2.gz ONTDGGROPNOBPA-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000473425391 888145909 /nfs/dbraw/zinc/14/59/09/888145909.db2.gz DGHCQJCUBAECST-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H](C)c1ccccc1 ZINC000473522376 888257502 /nfs/dbraw/zinc/25/75/02/888257502.db2.gz FYUMFLWUNFBHMX-MSOLQXFVSA-N -1 1 408.523 4.409 20 0 HIADMM Cc1ccc([C@H]2CCN(C(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)c(C)c1 ZINC000473536656 888275021 /nfs/dbraw/zinc/27/50/21/888275021.db2.gz WSZOJHGGFYOZOX-FQEVSTJZSA-N -1 1 416.525 4.118 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000473935228 888813254 /nfs/dbraw/zinc/81/32/54/888813254.db2.gz ARSDWXJZFNIADD-SJCJKPOMSA-N -1 1 404.290 4.189 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1 ZINC000474042667 888885191 /nfs/dbraw/zinc/88/51/91/888885191.db2.gz INAPTTZYRAETSA-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CC1(CSc2ccccc2)CC1 ZINC000474184227 889024003 /nfs/dbraw/zinc/02/40/03/889024003.db2.gz PRCZYZMIKBOHRH-UHFFFAOYSA-N -1 1 408.520 4.098 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC000474323796 889192848 /nfs/dbraw/zinc/19/28/48/889192848.db2.gz YEDVGKUIEOOVKL-UHFFFAOYSA-N -1 1 419.525 4.340 20 0 HIADMM CC(C)c1nc(Cn2cc(C(=O)Nc3ccc([O-])c(Cl)c3)ccc2=O)cs1 ZINC000474511188 889375543 /nfs/dbraw/zinc/37/55/43/889375543.db2.gz HJBCNQDLDVJPLD-UHFFFAOYSA-N -1 1 403.891 4.088 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000474524731 889396421 /nfs/dbraw/zinc/39/64/21/889396421.db2.gz QXNBQSSUVHVYBQ-UHFFFAOYSA-N -1 1 415.921 4.177 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000474547499 889422610 /nfs/dbraw/zinc/42/26/10/889422610.db2.gz OTXDDTUSGJYHNL-UHFFFAOYSA-N -1 1 404.470 4.293 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCSC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000474663234 889528072 /nfs/dbraw/zinc/52/80/72/889528072.db2.gz IIBVICLOSDNLDO-ZDUSSCGKSA-N -1 1 410.948 4.141 20 0 HIADMM COc1ccccc1[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)OC(C)C ZINC000474708943 889567022 /nfs/dbraw/zinc/56/70/22/889567022.db2.gz QWXKAOZEBAECRS-GOSISDBHSA-N -1 1 408.292 4.059 20 0 HIADMM CC(C)(CF)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000474746827 889603529 /nfs/dbraw/zinc/60/35/29/889603529.db2.gz ALZSXPZIBSSCSK-UHFFFAOYSA-N -1 1 419.305 4.272 20 0 HIADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474871554 889726511 /nfs/dbraw/zinc/72/65/11/889726511.db2.gz XQLUPOQMZLVOCH-XLIONFOSSA-N -1 1 416.543 4.330 20 0 HIADMM CCc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cnn1-c1ccc(Cl)cc1 ZINC000474893023 889750627 /nfs/dbraw/zinc/75/06/27/889750627.db2.gz LWZHZZKPEDKXKG-UHFFFAOYSA-N -1 1 407.861 4.436 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000474908715 889770246 /nfs/dbraw/zinc/77/02/46/889770246.db2.gz LARVLYHBIGPGFJ-UHFFFAOYSA-N -1 1 420.513 4.357 20 0 HIADMM C[C@H](C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000475336795 890255790 /nfs/dbraw/zinc/25/57/90/890255790.db2.gz JUOLIHVNARXUND-SFHVURJKSA-N -1 1 408.523 4.250 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000475370145 890300799 /nfs/dbraw/zinc/30/07/99/890300799.db2.gz KCRMKXSCDALIHQ-IBGZPJMESA-N -1 1 417.531 4.053 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000475370146 890301198 /nfs/dbraw/zinc/30/11/98/890301198.db2.gz KCRMKXSCDALIHQ-LJQANCHMSA-N -1 1 417.531 4.053 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2C)cc1[N-]S(C)(=O)=O ZINC000475379519 890307656 /nfs/dbraw/zinc/30/76/56/890307656.db2.gz BCRNPZSMVLKKSP-IBGZPJMESA-N -1 1 417.531 4.053 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCCC[C@H]1C(F)F ZINC000504724567 913458823 /nfs/dbraw/zinc/45/88/23/913458823.db2.gz HPRPTOUJIWKAMB-KRWDZBQOSA-N -1 1 409.458 4.139 20 0 HIADMM CC(C)CC(C)(C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475721508 890660146 /nfs/dbraw/zinc/66/01/46/890660146.db2.gz GQUZJHPUNGEOHD-UHFFFAOYSA-N -1 1 406.523 4.315 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(-c4cccnc4)ccc3C)cc21 ZINC000475812461 890747802 /nfs/dbraw/zinc/74/78/02/890747802.db2.gz FNXQCQQJWHIMHD-UHFFFAOYSA-N -1 1 421.522 4.157 20 0 HIADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)ccc2C)c1 ZINC000475824254 890757509 /nfs/dbraw/zinc/75/75/09/890757509.db2.gz ACDWWNWIEQUHRR-UHFFFAOYSA-N -1 1 419.524 4.158 20 0 HIADMM Cc1nnc(-c2cc(F)ccc2[N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)o1 ZINC000475836198 890769214 /nfs/dbraw/zinc/76/92/14/890769214.db2.gz OCKWMLNAPSITOU-UHFFFAOYSA-N -1 1 405.451 4.020 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000476147035 891071249 /nfs/dbraw/zinc/07/12/49/891071249.db2.gz JPOKVMJLLPRGQF-LJQANCHMSA-N -1 1 424.497 4.256 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000476164772 891093578 /nfs/dbraw/zinc/09/35/78/891093578.db2.gz RKLXXZZNWOPZRB-IBGZPJMESA-N -1 1 424.497 4.256 20 0 HIADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000476245751 891170315 /nfs/dbraw/zinc/17/03/15/891170315.db2.gz GKHKSTCIOLREOE-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)ccc1Br ZINC000476266411 891187497 /nfs/dbraw/zinc/18/74/97/891187497.db2.gz ZASXUQHSYDJFJQ-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)ccc1Cl ZINC000476391724 891308644 /nfs/dbraw/zinc/30/86/44/891308644.db2.gz SHODQEDTCWLOEK-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM Cc1c(COc2ccccc2)cccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000476414772 891328525 /nfs/dbraw/zinc/32/85/25/891328525.db2.gz YPQIDMWHAWVTBW-UHFFFAOYSA-N -1 1 403.481 4.135 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c2ccccc12 ZINC000476496770 891407254 /nfs/dbraw/zinc/40/72/54/891407254.db2.gz ZEJSUQNVEURMIW-UHFFFAOYSA-N -1 1 424.400 4.340 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000476545057 891459399 /nfs/dbraw/zinc/45/93/99/891459399.db2.gz LJAXMIDCBCNQNW-UHFFFAOYSA-N -1 1 422.348 4.027 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)Nc1ccsc1 ZINC000476669817 891617835 /nfs/dbraw/zinc/61/78/35/891617835.db2.gz FNEJPZDGHUQGBN-UHFFFAOYSA-N -1 1 401.513 4.213 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000476983056 891908670 /nfs/dbraw/zinc/90/86/70/891908670.db2.gz UCFSLEYVOKWBMF-JOCHJYFZSA-N -1 1 416.525 4.000 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc3c[nH]nc32)c1 ZINC000477030223 891954268 /nfs/dbraw/zinc/95/42/68/891954268.db2.gz CBZOFXPUFJCEOW-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(NC(C)=O)c4ccccc43)c2C1 ZINC000477157344 892078751 /nfs/dbraw/zinc/07/87/51/892078751.db2.gz DXHULJTWHCOEGH-UHFFFAOYSA-N -1 1 423.538 4.325 20 0 HIADMM Cc1ccc2cccnc2c1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000477165212 892086301 /nfs/dbraw/zinc/08/63/01/892086301.db2.gz QQLNBTDDNVDYEJ-UHFFFAOYSA-N -1 1 411.266 4.349 20 0 HIADMM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)C1CC1 ZINC000477202119 892129516 /nfs/dbraw/zinc/12/95/16/892129516.db2.gz BVFXVMJIYFYDKW-GFCCVEGCSA-N -1 1 423.332 4.235 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)c2ccccc12 ZINC000477297356 892258525 /nfs/dbraw/zinc/25/85/25/892258525.db2.gz JBBGVXIVLHAOGN-UHFFFAOYSA-N -1 1 424.482 4.199 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477374202 892334741 /nfs/dbraw/zinc/33/47/41/892334741.db2.gz ABFLTKMLELRXAV-UHFFFAOYSA-N -1 1 420.900 4.064 20 0 HIADMM CCC1(C)CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC000504925499 913663326 /nfs/dbraw/zinc/66/33/26/913663326.db2.gz QVRNHTWAJDIVNN-UHFFFAOYSA-N -1 1 404.507 4.279 20 0 HIADMM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)s1 ZINC000477694910 892813799 /nfs/dbraw/zinc/81/37/99/892813799.db2.gz XFHVWQFRQSUNFN-UHFFFAOYSA-N -1 1 423.903 4.294 20 0 HIADMM C[C@H](Nc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000477716619 892824134 /nfs/dbraw/zinc/82/41/34/892824134.db2.gz UTRWWAVDUSQZLY-VIFPVBQESA-N -1 1 405.405 4.352 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(Cc3ccco3)C(C)C)cc2)cc1 ZINC000477728521 892829399 /nfs/dbraw/zinc/82/93/99/892829399.db2.gz RONQQSCQRSWWNY-UHFFFAOYSA-N -1 1 412.511 4.440 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cnccc3C)cc2)cc1C ZINC000477902039 892972372 /nfs/dbraw/zinc/97/23/72/892972372.db2.gz QHFBSXOMNKHBSB-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CC(C2CCCC2)C1 ZINC000477903860 892974011 /nfs/dbraw/zinc/97/40/11/892974011.db2.gz HKIRCSOELNCPEL-UHFFFAOYSA-N -1 1 420.481 4.028 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C4CCCC4)C3)cc2)cc1C ZINC000477903431 892974618 /nfs/dbraw/zinc/97/46/18/892974618.db2.gz SVWZRYWQMCCFAR-UHFFFAOYSA-N -1 1 412.555 4.366 20 0 HIADMM C[C@H]1CCCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000478040148 893174666 /nfs/dbraw/zinc/17/46/66/893174666.db2.gz KGULZOURWYRLFI-AWEZNQCLSA-N -1 1 408.470 4.028 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H](C)C2)cc1 ZINC000478053918 893205257 /nfs/dbraw/zinc/20/52/57/893205257.db2.gz ODCKFBBUZJZDOH-HNNXBMFYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc(-c2ccncc2)no1 ZINC000505035264 913776489 /nfs/dbraw/zinc/77/64/89/913776489.db2.gz JHXMMYAQBVBODK-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM CC[C@H](C(=O)[O-])N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000478534239 893835743 /nfs/dbraw/zinc/83/57/43/893835743.db2.gz JNTCGUIRTMLDBJ-QGZVFWFLSA-N -1 1 423.376 4.158 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@@H]1Cc1ccccc1 ZINC000478565784 893851628 /nfs/dbraw/zinc/85/16/28/893851628.db2.gz XZXVRWZMYJRYIH-OAQYLSRUSA-N -1 1 424.497 4.084 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC3CC3)C3CCC3)c2)cc1F ZINC000478615343 893877650 /nfs/dbraw/zinc/87/76/50/893877650.db2.gz MJXNPWDIRPCKER-UHFFFAOYSA-N -1 1 416.518 4.340 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000478747072 894022677 /nfs/dbraw/zinc/02/26/77/894022677.db2.gz ORNNKLVRRZQOQF-HXUWFJFHSA-N -1 1 404.514 4.389 20 0 HIADMM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c(F)c1 ZINC000478838193 894116975 /nfs/dbraw/zinc/11/69/75/894116975.db2.gz RJWJJOMXVWPFKJ-UHFFFAOYSA-N -1 1 407.376 4.382 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1Cc2ccccc2C2(CC2)C1 ZINC000479050324 894311094 /nfs/dbraw/zinc/31/10/94/894311094.db2.gz HNXYLBFXCRPQKR-UHFFFAOYSA-N -1 1 418.518 4.175 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc(Cl)c1[O-] ZINC000505178512 913865218 /nfs/dbraw/zinc/86/52/18/913865218.db2.gz HXXYFOHQIFVCCP-MSOLQXFVSA-N -1 1 405.878 4.379 20 0 HIADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(NC(=O)C3CCCCC3)c1)OCO2 ZINC000479249783 894514497 /nfs/dbraw/zinc/51/44/97/894514497.db2.gz GZMFXZBGJQPRCU-UHFFFAOYSA-N -1 1 416.499 4.043 20 0 HIADMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000479269924 894543081 /nfs/dbraw/zinc/54/30/81/894543081.db2.gz MVZOYBVYUNLTEH-UHFFFAOYSA-N -1 1 414.892 4.055 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)c1C ZINC000479271410 894547023 /nfs/dbraw/zinc/54/70/23/894547023.db2.gz GESOJTNJBVSZBA-UHFFFAOYSA-N -1 1 406.511 4.431 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)C(F)(F)F)ccc2C)cc1 ZINC000479367476 894668091 /nfs/dbraw/zinc/66/80/91/894668091.db2.gz OWEFQURSDZRBBX-CQSZACIVSA-N -1 1 414.449 4.032 20 0 HIADMM COc1ccc(NC(=O)[C@@H](C)c2cccc(CC(C)C)c2)cc1[N-]S(C)(=O)=O ZINC000505219935 913890829 /nfs/dbraw/zinc/89/08/29/913890829.db2.gz OEPDVDSHMOQQTN-HNNXBMFYSA-N -1 1 404.532 4.007 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)C(F)(F)F)c2)c1 ZINC000479389414 894692336 /nfs/dbraw/zinc/69/23/36/894692336.db2.gz XGKZPWSHMPTOFP-AWEZNQCLSA-N -1 1 414.449 4.032 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](C)[C@@H]3CC)c2)cc1 ZINC000479401886 894707407 /nfs/dbraw/zinc/70/74/07/894707407.db2.gz IYOWKNUZYAZCMT-IERDGZPVSA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](C)[C@H]3CC)cc2)cc1 ZINC000479420535 894730420 /nfs/dbraw/zinc/73/04/20/894730420.db2.gz WZISLHAGOKDJTN-HRAATJIYSA-N -1 1 416.543 4.147 20 0 HIADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000479554287 894852458 /nfs/dbraw/zinc/85/24/58/894852458.db2.gz LPDQLCSJKFKLKV-UHFFFAOYSA-N -1 1 418.824 4.052 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)cc1Cl ZINC000479554459 894853018 /nfs/dbraw/zinc/85/30/18/894853018.db2.gz LHFWEHCOWZPZIF-UHFFFAOYSA-N -1 1 404.919 4.138 20 0 HIADMM Cc1oc2ccc([N-]S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)cc2c1C ZINC000479571821 894865015 /nfs/dbraw/zinc/86/50/15/894865015.db2.gz XYADIJZBQXZTQC-UHFFFAOYSA-N -1 1 410.495 4.076 20 0 HIADMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1cc(-c2ccccc2Cl)on1 ZINC000479765488 895066196 /nfs/dbraw/zinc/06/61/96/895066196.db2.gz NZRLLIZTKMFAKN-UHFFFAOYSA-N -1 1 401.760 4.311 20 0 HIADMM Cc1csc2c1ncnc2NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000479986752 895339642 /nfs/dbraw/zinc/33/96/42/895339642.db2.gz HBXYWCOYBXBVSU-UHFFFAOYSA-N -1 1 410.524 4.413 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccc(CC(F)(F)F)cc1 ZINC000480195167 895593421 /nfs/dbraw/zinc/59/34/21/895593421.db2.gz HYYDQBOARXLPKW-UHFFFAOYSA-N -1 1 422.432 4.255 20 0 HIADMM COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000480200860 895600416 /nfs/dbraw/zinc/60/04/16/895600416.db2.gz XLWDVMGIMIHXJJ-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2C(C)C)cc1 ZINC000480207129 895609659 /nfs/dbraw/zinc/60/96/59/895609659.db2.gz CDULVCCMEVAEOE-UHFFFAOYSA-N -1 1 413.499 4.112 20 0 HIADMM CC(C)c1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 ZINC000480211676 895614294 /nfs/dbraw/zinc/61/42/94/895614294.db2.gz YGVWJSFOADTSSU-UHFFFAOYSA-N -1 1 419.890 4.148 20 0 HIADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1c(Cl)cc(Cl)cc1Cl ZINC000505322840 913984881 /nfs/dbraw/zinc/98/48/81/913984881.db2.gz MANWIYNXROVIDN-UHFFFAOYSA-N -1 1 403.678 4.028 20 0 HIADMM CCc1c(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cnn1C(CC)CC ZINC000480244972 895654809 /nfs/dbraw/zinc/65/48/09/895654809.db2.gz HWTVFGCKSWYNHA-UHFFFAOYSA-N -1 1 421.563 4.160 20 0 HIADMM CC(=O)c1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000480299171 895704177 /nfs/dbraw/zinc/70/41/77/895704177.db2.gz BLZFLLUERRRKSD-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM COc1cc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc(Cl)c1[O-] ZINC000480429760 895824330 /nfs/dbraw/zinc/82/43/30/895824330.db2.gz ZGGJBQWMSWVGPW-HOCLYGCPSA-N -1 1 416.688 4.091 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC=C(c2ccco2)C1 ZINC000480679858 896043405 /nfs/dbraw/zinc/04/34/05/896043405.db2.gz NBPUNBZWJSMXDR-UHFFFAOYSA-N -1 1 423.494 4.402 20 0 HIADMM CC(=O)c1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000480808762 896176155 /nfs/dbraw/zinc/17/61/55/896176155.db2.gz AXJLQEGBEUAXPF-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H](C)c3ccc(Br)cn3)nc2)[n-]c(=O)c1C ZINC000480822713 896195201 /nfs/dbraw/zinc/19/52/01/896195201.db2.gz CYCURTSVYOHWGH-LBPRGKRZSA-N -1 1 400.280 4.192 20 0 HIADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)o1 ZINC000480959383 896300339 /nfs/dbraw/zinc/30/03/39/896300339.db2.gz IRPSYJZGYYBTMW-ZDUSSCGKSA-N -1 1 412.558 4.001 20 0 HIADMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000481083537 896403370 /nfs/dbraw/zinc/40/33/70/896403370.db2.gz AMNNQUJUGLEXDW-UHFFFAOYSA-N -1 1 415.490 4.468 20 0 HIADMM O=C(N[C@@H]1CCCc2c(O)cccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000481191294 896544138 /nfs/dbraw/zinc/54/41/38/896544138.db2.gz MMFJMZJYQDKHDB-OAQYLSRUSA-N -1 1 422.506 4.000 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(F)F)cc1 ZINC000505436886 914100686 /nfs/dbraw/zinc/10/06/86/914100686.db2.gz RMXKRHVCPJWYQF-GOSISDBHSA-N -1 1 408.470 4.056 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CC2(CCC2)c2ccccc21 ZINC000481430528 896831108 /nfs/dbraw/zinc/83/11/08/896831108.db2.gz ABBVKSPINMILEP-UHFFFAOYSA-N -1 1 405.235 4.079 20 0 HIADMM O=S(=O)([N-][C@H]1CC[C@@H](c2ccccc2F)C1)c1sccc1Br ZINC000481563511 896939619 /nfs/dbraw/zinc/93/96/19/896939619.db2.gz NZFVJXGSZCWMRH-MNOVXSKESA-N -1 1 404.326 4.264 20 0 HIADMM Cc1c([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)cnn1-c1ccc(F)cc1 ZINC000481594652 896973524 /nfs/dbraw/zinc/97/35/24/896973524.db2.gz HMEUGSZDXICVQR-NSHDSACASA-N -1 1 418.266 4.279 20 0 HIADMM Cc1cc(C)n(Cc2cccc(-c3noc(-c4[n-]cnc4C(=O)c4ccccc4)n3)c2)n1 ZINC000481893312 897270583 /nfs/dbraw/zinc/27/05/83/897270583.db2.gz LOLGQMQQVPIIMW-UHFFFAOYSA-N -1 1 424.464 4.219 20 0 HIADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(Br)c(C(F)(F)F)c1 ZINC000481939256 897324811 /nfs/dbraw/zinc/32/48/11/897324811.db2.gz AOVVFSYDWDXOAZ-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1Cl ZINC000481952668 897340994 /nfs/dbraw/zinc/34/09/94/897340994.db2.gz AMVRREJKZDOBOC-UHFFFAOYSA-N -1 1 417.874 4.287 20 0 HIADMM CSc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1Cl ZINC000481956760 897345110 /nfs/dbraw/zinc/34/51/10/897345110.db2.gz MREUPZPGWKOCQH-UHFFFAOYSA-N -1 1 405.328 4.475 20 0 HIADMM NC(=O)c1ccccc1Oc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000481957324 897347305 /nfs/dbraw/zinc/34/73/05/897347305.db2.gz ODHLWRIRZKYXSZ-UHFFFAOYSA-N -1 1 402.859 4.032 20 0 HIADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000481969704 897361300 /nfs/dbraw/zinc/36/13/00/897361300.db2.gz DDZBFCUUTLWACW-UHFFFAOYSA-N -1 1 424.503 4.391 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)cc1Cl ZINC000481977907 897370655 /nfs/dbraw/zinc/37/06/55/897370655.db2.gz BGXFWTADBQFDBO-UHFFFAOYSA-N -1 1 405.863 4.063 20 0 HIADMM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000482100494 897547863 /nfs/dbraw/zinc/54/78/63/897547863.db2.gz IJWFRZOELUSCIZ-UHFFFAOYSA-N -1 1 411.479 4.096 20 0 HIADMM CC[C@H](c1nnc([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)s1)c1ccccc1 ZINC000482245561 897727929 /nfs/dbraw/zinc/72/79/29/897727929.db2.gz SGBIURUWSHTWDR-AWEZNQCLSA-N -1 1 410.528 4.189 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(Cl)c(F)c1Cl ZINC000482383960 897913157 /nfs/dbraw/zinc/91/31/57/897913157.db2.gz VGVMNDNMSNJQCB-SJCJKPOMSA-N -1 1 404.290 4.189 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2n[nH]c(C3CC3)c2Br)c1 ZINC000482627275 898230035 /nfs/dbraw/zinc/23/00/35/898230035.db2.gz CQIQKKVMTFZENP-UHFFFAOYSA-N -1 1 415.085 4.078 20 0 HIADMM CC(=O)CCc1ccc(OCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482636281 898240513 /nfs/dbraw/zinc/24/05/13/898240513.db2.gz IPYJLBMTNDXVMB-UHFFFAOYSA-N -1 1 406.276 4.002 20 0 HIADMM COc1ccc(COCCCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482644861 898248012 /nfs/dbraw/zinc/24/80/12/898248012.db2.gz YWYTVEJUNJZAAY-UHFFFAOYSA-N -1 1 408.292 4.407 20 0 HIADMM CSCc1nc2ccccc2n1CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482645121 898248616 /nfs/dbraw/zinc/24/86/16/898248616.db2.gz ZWHBTEATMHERMB-UHFFFAOYSA-N -1 1 420.332 4.315 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c1 ZINC000482736744 898338690 /nfs/dbraw/zinc/33/86/90/898338690.db2.gz PHQHPLNCOJBHSR-GOSISDBHSA-N -1 1 419.300 4.031 20 0 HIADMM CCc1ccnc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)c1 ZINC000482756829 898362999 /nfs/dbraw/zinc/36/29/99/898362999.db2.gz VRGAGBJEJWEJFC-UHFFFAOYSA-N -1 1 406.467 4.162 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@H]2CCC[C@@H](C)C2)c1 ZINC000483302129 898934368 /nfs/dbraw/zinc/93/43/68/898934368.db2.gz WPKUYFXHKIDRMS-KDOFPFPSSA-N -1 1 404.507 4.243 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1cccc(Cl)c1F ZINC000484158544 899779370 /nfs/dbraw/zinc/77/93/70/899779370.db2.gz JCBNQXCOUYUFJJ-UHFFFAOYSA-N -1 1 402.838 4.218 20 0 HIADMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)[n-]1 ZINC000484578047 900045491 /nfs/dbraw/zinc/04/54/91/900045491.db2.gz SWEQKRVPESLOMA-LURJTMIESA-N -1 1 408.694 4.276 20 0 HIADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000484578047 900045497 /nfs/dbraw/zinc/04/54/97/900045497.db2.gz SWEQKRVPESLOMA-LURJTMIESA-N -1 1 408.694 4.276 20 0 HIADMM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000484740825 900163631 /nfs/dbraw/zinc/16/36/31/900163631.db2.gz VOOODAXEHVZYAS-OAHLLOKOSA-N -1 1 402.210 4.448 20 0 HIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1csc(-c2cnccn2)n1 ZINC000484779922 900190668 /nfs/dbraw/zinc/19/06/68/900190668.db2.gz TVKMQWSXNIVRHN-UHFFFAOYSA-N -1 1 400.876 4.024 20 0 HIADMM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000484955160 900320568 /nfs/dbraw/zinc/32/05/68/900320568.db2.gz GWFOUTOLTFWFQE-UHFFFAOYSA-N -1 1 405.369 4.008 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(F)cc2)cc1OC ZINC000484993464 900346755 /nfs/dbraw/zinc/34/67/55/900346755.db2.gz NPDAUXILOVVRQF-UHFFFAOYSA-N -1 1 405.422 4.450 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)OC)c2)cc1 ZINC000485082131 900398444 /nfs/dbraw/zinc/39/84/44/900398444.db2.gz XCKHTPNBKKKZOK-OAHLLOKOSA-N -1 1 407.557 4.407 20 0 HIADMM CCOC(=O)COc1ccc(-c2nc3sc(C(C)(C)C)cc3c(=O)[n-]2)cc1OC ZINC000485168554 900466238 /nfs/dbraw/zinc/46/62/38/900466238.db2.gz PXBRKXBOCXOTJF-UHFFFAOYSA-N -1 1 416.499 4.312 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000485397222 900694322 /nfs/dbraw/zinc/69/43/22/900694322.db2.gz SQONSQFKEXNDMJ-MRXNPFEDSA-N -1 1 404.507 4.258 20 0 HIADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000485400442 900699192 /nfs/dbraw/zinc/69/91/92/900699192.db2.gz DJIYEJOLJCHPPZ-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCCSC3)ccc2C)c1 ZINC000485434273 900731441 /nfs/dbraw/zinc/73/14/41/900731441.db2.gz RGYAHCYZJLOFQT-INIZCTEOSA-N -1 1 404.557 4.186 20 0 HIADMM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000485595272 900857242 /nfs/dbraw/zinc/85/72/42/900857242.db2.gz CPXQQGCXAUOQMC-LJQANCHMSA-N -1 1 406.548 4.134 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485620584 900876086 /nfs/dbraw/zinc/87/60/86/900876086.db2.gz BZQISXRLJWVFSR-BDTNDASRSA-N -1 1 418.541 4.169 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc(C(=O)[O-])c1C ZINC000486099140 901287086 /nfs/dbraw/zinc/28/70/86/901287086.db2.gz JELNQSMLRFDGTF-UHFFFAOYSA-N -1 1 413.499 4.112 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(Br)c1F)c1cnc2ccsc2c1 ZINC000486546561 901695568 /nfs/dbraw/zinc/69/55/68/901695568.db2.gz DWHSUNPATRULSR-UHFFFAOYSA-N -1 1 405.245 4.138 20 0 HIADMM COc1ccc(N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)cc1F ZINC000486631864 901764927 /nfs/dbraw/zinc/76/49/27/901764927.db2.gz CIPXRGZCFXNQEA-UHFFFAOYSA-N -1 1 405.223 4.127 20 0 HIADMM CSc1ccc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000487657403 902277141 /nfs/dbraw/zinc/27/71/41/902277141.db2.gz KDKSMWBEPUYKGA-UHFFFAOYSA-N -1 1 416.524 4.075 20 0 HIADMM CCc1cccnc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000505983672 914648739 /nfs/dbraw/zinc/64/87/39/914648739.db2.gz BDFHYXBFYVGMQW-UHFFFAOYSA-N -1 1 415.902 4.351 20 0 HIADMM O=C(Nc1ccc2c(c1)CCCO2)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000505985308 914650850 /nfs/dbraw/zinc/65/08/50/914650850.db2.gz YAGWWKOWZPEXHJ-UHFFFAOYSA-N -1 1 408.479 4.065 20 0 HIADMM CCc1cccnc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000505988988 914655724 /nfs/dbraw/zinc/65/57/24/914655724.db2.gz BQNWUPQROKIXQZ-UHFFFAOYSA-N -1 1 413.474 4.145 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)CCCO4)cc2)cc1 ZINC000505992351 914660189 /nfs/dbraw/zinc/66/01/89/914660189.db2.gz XWVWYYBNEKKPLX-UHFFFAOYSA-N -1 1 422.506 4.373 20 0 HIADMM CCc1cccnc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000505996713 914665043 /nfs/dbraw/zinc/66/50/43/914665043.db2.gz NELYHRQUHVTZKB-UHFFFAOYSA-N -1 1 415.902 4.351 20 0 HIADMM O=C(NCc1coc2ccccc12)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000488925551 903080097 /nfs/dbraw/zinc/08/00/97/903080097.db2.gz WEFADZDDUFWBRY-UHFFFAOYSA-N -1 1 406.463 4.164 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000489061716 903165387 /nfs/dbraw/zinc/16/53/87/903165387.db2.gz JNVCXUHWYRUZKT-JOCHJYFZSA-N -1 1 402.498 4.143 20 0 HIADMM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000489457579 903396337 /nfs/dbraw/zinc/39/63/37/903396337.db2.gz LHPGWMRXRFNGSX-OAHLLOKOSA-N -1 1 417.440 4.132 20 0 HIADMM Cc1csc(-c2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)n1 ZINC000489712934 903554470 /nfs/dbraw/zinc/55/44/70/903554470.db2.gz DELLEWGISYPVLP-UHFFFAOYSA-N -1 1 408.888 4.271 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c(Cl)c1 ZINC000489759010 903584200 /nfs/dbraw/zinc/58/42/00/903584200.db2.gz ALILINOCNSQZFS-UHFFFAOYSA-N -1 1 404.831 4.026 20 0 HIADMM O=C(CSCc1cc(-c2cccs2)on1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000490185087 903814566 /nfs/dbraw/zinc/81/45/66/903814566.db2.gz RPQUXASNPYUMNJ-UHFFFAOYSA-N -1 1 412.496 4.371 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000490196012 903821097 /nfs/dbraw/zinc/82/10/97/903821097.db2.gz XEZWLLXMMXQKOK-PZJWPPBQSA-N -1 1 416.525 4.328 20 0 HIADMM CC(F)(F)c1ccc(CNC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000490216488 903832801 /nfs/dbraw/zinc/83/28/01/903832801.db2.gz KWPSKBYOMBCOGX-UHFFFAOYSA-N -1 1 417.193 4.039 20 0 HIADMM COc1ccc(NC(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000490500608 904052584 /nfs/dbraw/zinc/05/25/84/904052584.db2.gz KXNIVOHZSRWOCZ-GOSISDBHSA-N -1 1 423.510 4.115 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@@H]1OCCc2sccc21 ZINC000490511335 904061570 /nfs/dbraw/zinc/06/15/70/904061570.db2.gz CWGAYBRRWRNFCX-GLEZIHRCSA-N -1 1 410.319 4.175 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1OCCc2sccc21 ZINC000490614423 904137249 /nfs/dbraw/zinc/13/72/49/904137249.db2.gz BBRFFLCXPZPHRZ-RMLUDKJBSA-N -1 1 410.319 4.175 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000491456135 904605347 /nfs/dbraw/zinc/60/53/47/904605347.db2.gz KQISFEVKVVQHAK-HSZRJFAPSA-N -1 1 410.493 4.171 20 0 HIADMM CN(Cc1ccoc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000491954237 904742183 /nfs/dbraw/zinc/74/21/83/904742183.db2.gz JUXFXSLTGRTERQ-UHFFFAOYSA-N -1 1 422.865 4.145 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(Cc3ccco3)C(C)C)c2)c1 ZINC000494169602 905506082 /nfs/dbraw/zinc/50/60/82/905506082.db2.gz XGBZWERHDKVOHH-UHFFFAOYSA-N -1 1 412.511 4.440 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2ccc(OCc3ccccc3)cc2)c(=O)[n-]1 ZINC000494361198 905661727 /nfs/dbraw/zinc/66/17/27/905661727.db2.gz ZISPWJXIQPJWSM-UHFFFAOYSA-N -1 1 423.538 4.041 20 0 HIADMM CC1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000494458120 905739815 /nfs/dbraw/zinc/73/98/15/905739815.db2.gz PHQWCBQPLQYYPP-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000494533200 905816315 /nfs/dbraw/zinc/81/63/15/905816315.db2.gz VSXGHXUDQAVTLE-JOCHJYFZSA-N -1 1 412.493 4.065 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc1 ZINC000494587147 905851711 /nfs/dbraw/zinc/85/17/11/905851711.db2.gz QWXMEYDWOCEHKH-HNNXBMFYSA-N -1 1 418.584 4.390 20 0 HIADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000494880907 906057742 /nfs/dbraw/zinc/05/77/42/906057742.db2.gz VJSVBRPEUHNXFX-AWEZNQCLSA-N -1 1 414.449 4.338 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000512588138 921250966 /nfs/dbraw/zinc/25/09/66/921250966.db2.gz STRGFEZVZSSBQD-UHFFFAOYSA-N -1 1 419.312 4.097 20 0 HIADMM Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000496803755 906759204 /nfs/dbraw/zinc/75/92/04/906759204.db2.gz QAFIHRPHGXFFQQ-INIZCTEOSA-N -1 1 412.486 4.426 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000496864581 906769152 /nfs/dbraw/zinc/76/91/52/906769152.db2.gz MXNYVRRTJZDTHS-MRXNPFEDSA-N -1 1 408.267 4.115 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)c(C)c1 ZINC000497244571 906824017 /nfs/dbraw/zinc/82/40/17/906824017.db2.gz CAUAVAFRXFLDNA-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1c(F)cccc1F ZINC000497362564 906854073 /nfs/dbraw/zinc/85/40/73/906854073.db2.gz HZYXINIKNFKGJW-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM COc1ccccc1[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccccn1 ZINC000497510975 907001024 /nfs/dbraw/zinc/00/10/24/907001024.db2.gz CCJPEXKXXULOET-LJQANCHMSA-N -1 1 413.271 4.078 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(c2ccccc2)C2CCCCC2)o1 ZINC000498087252 907596728 /nfs/dbraw/zinc/59/67/28/907596728.db2.gz CXPYHKRKJRDBMC-UHFFFAOYSA-N -1 1 404.532 4.336 20 0 HIADMM C[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498214098 907744290 /nfs/dbraw/zinc/74/42/90/907744290.db2.gz NKIPLYHDQAZOBA-INIZCTEOSA-N -1 1 410.499 4.107 20 0 HIADMM O=C(NCc1cccc(F)c1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000498271002 907809246 /nfs/dbraw/zinc/80/92/46/907809246.db2.gz DKPDRLHOVSZIHV-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCc2cccc(F)c2)c1 ZINC000498273058 907810374 /nfs/dbraw/zinc/81/03/74/907810374.db2.gz XQUGLSAUDQFSKP-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000512919580 921413229 /nfs/dbraw/zinc/41/32/29/921413229.db2.gz FSPNRJVGGIVYBT-UHFFFAOYSA-N -1 1 413.890 4.010 20 0 HIADMM C[C@@H]1CC[C@@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H](C)C1 ZINC000499138594 908494594 /nfs/dbraw/zinc/49/45/94/908494594.db2.gz GGPPCPNPVPNZLF-WHSLLNHNSA-N -1 1 418.534 4.110 20 0 HIADMM C[C@@H]1CC[C@@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H](C)C1 ZINC000499138593 908494737 /nfs/dbraw/zinc/49/47/37/908494737.db2.gz GGPPCPNPVPNZLF-VWKPWSFCSA-N -1 1 418.534 4.110 20 0 HIADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H](C)C1 ZINC000499146961 908505633 /nfs/dbraw/zinc/50/56/33/908505633.db2.gz NOKSXNCXTUXPTR-STXHMFSFSA-N -1 1 404.507 4.181 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cc(Br)sc2Cl)cc2[nH]ncc21 ZINC000499265877 908643696 /nfs/dbraw/zinc/64/36/96/908643696.db2.gz QOAUCFQQRGADOP-UHFFFAOYSA-N -1 1 406.714 4.150 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)[C@H](C)c2ccco2)c1 ZINC000499412602 908779180 /nfs/dbraw/zinc/77/91/80/908779180.db2.gz DQVXHLHHRHRPPO-OAHLLOKOSA-N -1 1 416.474 4.361 20 0 HIADMM CCc1cccnc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000499485624 908813786 /nfs/dbraw/zinc/81/37/86/908813786.db2.gz RDWJKJUTYUQTSG-UHFFFAOYSA-N -1 1 415.902 4.351 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cn4ccccc4n3)ccc2C)c1 ZINC000499628522 908861010 /nfs/dbraw/zinc/86/10/10/908861010.db2.gz ANNDYCDEHCQPBO-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(Br)c([O-])c2)c1 ZINC000499715054 908887070 /nfs/dbraw/zinc/88/70/70/908887070.db2.gz QITRWSHIYGKRFR-INIZCTEOSA-N -1 1 406.276 4.149 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N(Cc1ccccc1)CC1CCOCC1 ZINC000499842457 908976540 /nfs/dbraw/zinc/97/65/40/908976540.db2.gz HOZDEJWFSYZKIQ-UHFFFAOYSA-N -1 1 404.304 4.224 20 0 HIADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000499858070 908991856 /nfs/dbraw/zinc/99/18/56/908991856.db2.gz BNOVGGHMNZGDJH-VIFPVBQESA-N -1 1 422.666 4.349 20 0 HIADMM O=C(COc1ccsc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000499964048 909404717 /nfs/dbraw/zinc/40/47/17/909404717.db2.gz QRJBNLLWRYPQQN-UHFFFAOYSA-N -1 1 422.915 4.220 20 0 HIADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000500297601 909764865 /nfs/dbraw/zinc/76/48/65/909764865.db2.gz NLOKPSKQNRTKHG-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)c2ccccc12 ZINC000500367327 909815897 /nfs/dbraw/zinc/81/58/97/909815897.db2.gz RRPNGTNRLSFJPK-UHFFFAOYSA-N -1 1 422.462 4.495 20 0 HIADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000500477189 909880153 /nfs/dbraw/zinc/88/01/53/909880153.db2.gz RHPMJONSXMCIRD-UHFFFAOYSA-N -1 1 403.729 4.278 20 0 HIADMM COCc1ccc(C(=O)[N-]c2nnc(-c3cc(Br)ccc3F)s2)o1 ZINC000500839191 910116804 /nfs/dbraw/zinc/11/68/04/910116804.db2.gz QVKVJMVCLCUXFO-UHFFFAOYSA-N -1 1 412.240 4.098 20 0 HIADMM Cc1ncc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000500894445 910164980 /nfs/dbraw/zinc/16/49/80/910164980.db2.gz SJIWSQBGIZRBCL-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCC2=CCCC2)c1 ZINC000513190975 921611326 /nfs/dbraw/zinc/61/13/26/921611326.db2.gz AOURNLGXGFLHNU-UHFFFAOYSA-N -1 1 402.491 4.165 20 0 HIADMM Cn1ccnc1SCc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000501959875 910946223 /nfs/dbraw/zinc/94/62/23/910946223.db2.gz UFUHOPAMJUZRJA-UHFFFAOYSA-N -1 1 405.483 4.060 20 0 HIADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000502050451 911003330 /nfs/dbraw/zinc/00/33/30/911003330.db2.gz NUXSTGROQNNMRZ-OAHLLOKOSA-N -1 1 408.470 4.043 20 0 HIADMM O=C(NCC1(C2CC2)CCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000502062136 911009705 /nfs/dbraw/zinc/00/97/05/911009705.db2.gz QLMNMWUYGNTNGI-UHFFFAOYSA-N -1 1 420.481 4.076 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)cc1 ZINC000502201073 911144560 /nfs/dbraw/zinc/14/45/60/911144560.db2.gz CYHCDHQUTVBJJE-SJORKVTESA-N -1 1 400.544 4.304 20 0 HIADMM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1)c1c(Cl)cc(F)cc1Br ZINC000502428023 911409325 /nfs/dbraw/zinc/40/93/25/911409325.db2.gz RMFUYVUKKPSJQS-BXUZGUMPSA-N -1 1 404.688 4.076 20 0 HIADMM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502449844 911437777 /nfs/dbraw/zinc/43/77/77/911437777.db2.gz GOAMBLICRJGFOX-QMMMGPOBSA-N -1 1 412.733 4.213 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CC2(C1)CCCCC2 ZINC000503127806 912090927 /nfs/dbraw/zinc/09/09/27/912090927.db2.gz YJUSUIOMZXVTLC-UHFFFAOYSA-N -1 1 420.481 4.172 20 0 HIADMM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1ccccc1OCc1cscn1 ZINC000506649587 915318692 /nfs/dbraw/zinc/31/86/92/915318692.db2.gz SPMCCHHHZXTHBU-UHFFFAOYSA-N -1 1 408.932 4.360 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1 ZINC000506670054 915344478 /nfs/dbraw/zinc/34/44/78/915344478.db2.gz SLRVQZOKDQJFPZ-UHFFFAOYSA-N -1 1 416.524 4.080 20 0 HIADMM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000506719795 915398019 /nfs/dbraw/zinc/39/80/19/915398019.db2.gz PHFPNSLRZQCDFP-INIZCTEOSA-N -1 1 410.495 4.128 20 0 HIADMM COc1cccc([C@H](C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000507035012 915833284 /nfs/dbraw/zinc/83/32/84/915833284.db2.gz KQLCDUNIGXPOOV-INIZCTEOSA-N -1 1 410.495 4.238 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)F)sc3c2)c(Cl)c1 ZINC000507564244 916318568 /nfs/dbraw/zinc/31/85/68/916318568.db2.gz JNQYZSGYYFCONR-UHFFFAOYSA-N -1 1 418.830 4.386 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1 ZINC000507581744 916337277 /nfs/dbraw/zinc/33/72/77/916337277.db2.gz JZUJINGMGUBQHF-UHFFFAOYSA-N -1 1 423.466 4.162 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)CC(C)(C)O4)cc2)co1 ZINC000507587251 916340174 /nfs/dbraw/zinc/34/01/74/916340174.db2.gz VXAFJDUZTOIGOI-UHFFFAOYSA-N -1 1 412.467 4.195 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(COc4ccc(F)cc4)c3)cc2o1 ZINC000507642454 916399918 /nfs/dbraw/zinc/39/99/18/916399918.db2.gz CJOBENWTAZXNSD-UHFFFAOYSA-N -1 1 414.414 4.052 20 0 HIADMM CCCc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnn1-c1ccccc1 ZINC000507887877 916736587 /nfs/dbraw/zinc/73/65/87/916736587.db2.gz ANSSMJWIKYYPBU-UHFFFAOYSA-N -1 1 402.520 4.052 20 0 HIADMM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cncc(Cl)c3Br)c2O1 ZINC000508115349 916933109 /nfs/dbraw/zinc/93/31/09/916933109.db2.gz HYFFNVKCOWPRLZ-UHFFFAOYSA-N -1 1 417.712 4.012 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)COC4)cc2)cc1C ZINC000508464682 917249755 /nfs/dbraw/zinc/24/97/55/917249755.db2.gz DQRGNRGFFGVLSU-UHFFFAOYSA-N -1 1 422.506 4.387 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)c1cc(C)oc1C ZINC000508773937 917528169 /nfs/dbraw/zinc/52/81/69/917528169.db2.gz KMBTZROHVJICBM-SECBINFHSA-N -1 1 406.287 4.029 20 0 HIADMM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)c21 ZINC000508806673 917560732 /nfs/dbraw/zinc/56/07/32/917560732.db2.gz RGCGBGOUTORZKH-UHFFFAOYSA-N -1 1 419.506 4.458 20 0 HIADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)nnn1-c1ccc(OC(C)C)cc1 ZINC000509158432 917875271 /nfs/dbraw/zinc/87/52/71/917875271.db2.gz PLZHSNRHVVLUOV-UHFFFAOYSA-N -1 1 400.866 4.228 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(COC(C)C)c1 ZINC000509337614 918004869 /nfs/dbraw/zinc/00/48/69/918004869.db2.gz MEQYNOLYWOFIEY-UHFFFAOYSA-N -1 1 406.486 4.049 20 0 HIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(Cl)cccc3Br)ccc12 ZINC000509387070 918052903 /nfs/dbraw/zinc/05/29/03/918052903.db2.gz UAGQPJHXQGLZPI-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)ccc21 ZINC000509387589 918054650 /nfs/dbraw/zinc/05/46/50/918054650.db2.gz NSMUAHDMGPLUQP-UHFFFAOYSA-N -1 1 412.433 4.114 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1ccccc1OC(F)(F)F ZINC000509391193 918058704 /nfs/dbraw/zinc/05/87/04/918058704.db2.gz YKCQSKGBIUEZHY-UHFFFAOYSA-N -1 1 401.284 4.127 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2cc(I)ccc2C)c1 ZINC000509397452 918064187 /nfs/dbraw/zinc/06/41/87/918064187.db2.gz UMWLMERBNGCLFW-UHFFFAOYSA-N -1 1 419.309 4.122 20 0 HIADMM CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000509416683 918077272 /nfs/dbraw/zinc/07/72/72/918077272.db2.gz AGXMXOSRSCKGAW-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000509426075 918086094 /nfs/dbraw/zinc/08/60/94/918086094.db2.gz LMBKMGGGNRROLV-UHFFFAOYSA-N -1 1 406.339 4.006 20 0 HIADMM CCSc1ccc([C@H](C)NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000509532748 918181340 /nfs/dbraw/zinc/18/13/40/918181340.db2.gz MGJSRASTDOBTSM-ZDUSSCGKSA-N -1 1 423.560 4.061 20 0 HIADMM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000509536579 918184926 /nfs/dbraw/zinc/18/49/26/918184926.db2.gz IHLHJAJPLYMYME-UHFFFAOYSA-N -1 1 416.296 4.481 20 0 HIADMM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000509543216 918193060 /nfs/dbraw/zinc/19/30/60/918193060.db2.gz QAKDLKCZHSRDEX-UHFFFAOYSA-N -1 1 419.305 4.414 20 0 HIADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Sc3ccccc3)c(Cl)c2)c1 ZINC000509587074 918235863 /nfs/dbraw/zinc/23/58/63/918235863.db2.gz IVDVJCBWEFGXPV-UHFFFAOYSA-N -1 1 418.927 4.391 20 0 HIADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(Oc4cccc(C)c4)cc3)cc12 ZINC000509642009 918283004 /nfs/dbraw/zinc/28/30/04/918283004.db2.gz ZJYCKCRHPFKUCL-UHFFFAOYSA-N -1 1 408.483 4.178 20 0 HIADMM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(Br)c([O-])c1 ZINC000509676920 918308242 /nfs/dbraw/zinc/30/82/42/918308242.db2.gz GGJOIUGZNWTNMR-MRXNPFEDSA-N -1 1 404.308 4.274 20 0 HIADMM Cc1ccc([C@@H](C)N(C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c(C)c1 ZINC000509682467 918313449 /nfs/dbraw/zinc/31/34/49/918313449.db2.gz SDZBVIOUPKVXQV-GOSISDBHSA-N -1 1 404.514 4.322 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000509756634 918372263 /nfs/dbraw/zinc/37/22/63/918372263.db2.gz UCTJIMXXUOOHPD-SFHVURJKSA-N -1 1 410.543 4.450 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000509943499 918539197 /nfs/dbraw/zinc/53/91/97/918539197.db2.gz NXHPCJPWKILLEY-JOCHJYFZSA-N -1 1 414.509 4.164 20 0 HIADMM CSc1ccc(-c2nsc([N-]C(=O)c3coc(C4CCOCC4)n3)n2)cc1 ZINC000510058323 918628694 /nfs/dbraw/zinc/62/86/94/918628694.db2.gz BKOMZVJWOXIFQZ-UHFFFAOYSA-N -1 1 402.501 4.061 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000510128370 918688131 /nfs/dbraw/zinc/68/81/31/918688131.db2.gz RVCQIJDUUPTSAK-UHFFFAOYSA-N -1 1 424.504 4.440 20 0 HIADMM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000510189248 918738878 /nfs/dbraw/zinc/73/88/78/918738878.db2.gz KROPQLIXBYDOAI-ZDUSSCGKSA-N -1 1 421.950 4.029 20 0 HIADMM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000510189248 918738885 /nfs/dbraw/zinc/73/88/85/918738885.db2.gz KROPQLIXBYDOAI-ZDUSSCGKSA-N -1 1 421.950 4.029 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCCC[C@H]3C)cc2)cc1 ZINC000511795762 920489926 /nfs/dbraw/zinc/48/99/26/920489926.db2.gz SDMLZKPDZMOEFS-QGZVFWFLSA-N -1 1 416.543 4.291 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC[C@@H]3C)c2)cc1 ZINC000511810886 920508610 /nfs/dbraw/zinc/50/86/10/920508610.db2.gz WUOKWVICINFEEF-KRWDZBQOSA-N -1 1 416.543 4.291 20 0 HIADMM COc1ccc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)c2ccc(F)cc2)cc1 ZINC000511997112 920767174 /nfs/dbraw/zinc/76/71/74/920767174.db2.gz OYQSNRFCVVZFNB-IBGZPJMESA-N -1 1 407.413 4.180 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)[C@@H](C)CC)c2)cc1 ZINC000512146301 920888625 /nfs/dbraw/zinc/88/86/25/920888625.db2.gz OWWDJOOCIUPPOS-HOTGVXAUSA-N -1 1 404.532 4.051 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@H](C)CC)c2)cc1 ZINC000512146942 920890103 /nfs/dbraw/zinc/89/01/03/920890103.db2.gz RJOKNQYQQDBVKQ-CVEARBPZSA-N -1 1 404.532 4.051 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4cc(F)ccc43)c2)c1 ZINC000513722917 922042703 /nfs/dbraw/zinc/04/27/03/922042703.db2.gz QJCQGFUGXTYVGL-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM O=c1[n-]c(-c2ccc(S(=O)(=O)NC3CC3)cc2)nc2sc(-c3ccccc3)cc21 ZINC000514122270 922453924 /nfs/dbraw/zinc/45/39/24/922453924.db2.gz GNZNCRHACNJGQJ-UHFFFAOYSA-N -1 1 423.519 4.172 20 0 HIADMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000515126850 922938484 /nfs/dbraw/zinc/93/84/84/922938484.db2.gz XJJSDENDYBETHX-UHFFFAOYSA-N -1 1 415.492 4.099 20 0 HIADMM CCC(CC)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000515158386 922960198 /nfs/dbraw/zinc/96/01/98/922960198.db2.gz NTJBSGSIULWJNR-LJQANCHMSA-N -1 1 406.548 4.264 20 0 HIADMM O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000515555677 923173723 /nfs/dbraw/zinc/17/37/23/923173723.db2.gz ZASNUYYOKXBKCC-UHFFFAOYSA-N -1 1 424.497 4.088 20 0 HIADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1Cl ZINC000515698923 923280565 /nfs/dbraw/zinc/28/05/65/923280565.db2.gz AXERYNAPFSGQAT-UHFFFAOYSA-N -1 1 408.951 4.415 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC3CC3)C(C)C)cc2)c1C ZINC000515818782 923373530 /nfs/dbraw/zinc/37/35/30/923373530.db2.gz ZUFLYKHLABAFOX-UHFFFAOYSA-N -1 1 400.544 4.365 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000516209985 923601456 /nfs/dbraw/zinc/60/14/56/923601456.db2.gz VWJKBUMYZQNPJA-UHFFFAOYSA-N -1 1 408.951 4.358 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000516410609 923716510 /nfs/dbraw/zinc/71/65/10/923716510.db2.gz GNKBJBDJIZLCCH-UHFFFAOYSA-N -1 1 409.813 4.185 20 0 HIADMM O=S(=O)([N-]CCc1ccc(Br)s1)c1cc(Cl)sc1Cl ZINC000516834389 923911431 /nfs/dbraw/zinc/91/14/31/923911431.db2.gz SJTHJAMSRDRIMJ-UHFFFAOYSA-N -1 1 421.190 4.400 20 0 HIADMM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(-c4cccc(Cl)c4)c3)ccc21 ZINC000517045061 923971618 /nfs/dbraw/zinc/97/16/18/923971618.db2.gz RDRDQSRDMQFSCH-UHFFFAOYSA-N -1 1 414.870 4.253 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3CCC(F)(F)CC3)c2)c1 ZINC000517197015 924047849 /nfs/dbraw/zinc/04/78/49/924047849.db2.gz UAKLJXJKDDSKEX-UHFFFAOYSA-N -1 1 422.497 4.446 20 0 HIADMM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1noc2c1CCCC2 ZINC000517666993 926772533 /nfs/dbraw/zinc/77/25/33/926772533.db2.gz JOQRGKGAIVMFSW-UHFFFAOYSA-N -1 1 405.277 4.087 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1)c1ccncc1 ZINC000517805573 926844186 /nfs/dbraw/zinc/84/41/86/926844186.db2.gz JVDJNYSESCFYMR-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C(C)(C)C ZINC000517963774 926906167 /nfs/dbraw/zinc/90/61/67/926906167.db2.gz WCQBOJXNOSHODZ-SFHVURJKSA-N -1 1 410.486 4.320 20 0 HIADMM COc1cc(NC(=O)N[C@H](C)c2cc3ccccc3s2)ccc1[N-]S(C)(=O)=O ZINC000518265222 927122534 /nfs/dbraw/zinc/12/25/34/927122534.db2.gz MUUIISFPWRYQES-GFCCVEGCSA-N -1 1 419.528 4.164 20 0 HIADMM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000518547433 927338472 /nfs/dbraw/zinc/33/84/72/927338472.db2.gz GEWBPBHDNGBUBX-YADHBBJMSA-N -1 1 422.506 4.238 20 0 HIADMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000518672432 927420521 /nfs/dbraw/zinc/42/05/21/927420521.db2.gz TWQMKCFRUKZGMN-UHFFFAOYSA-N -1 1 421.522 4.461 20 0 HIADMM CC(=O)Nc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000518894953 927606132 /nfs/dbraw/zinc/60/61/32/927606132.db2.gz GFEWPGYMCVOODB-UHFFFAOYSA-N -1 1 424.803 4.398 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000519080273 927755797 /nfs/dbraw/zinc/75/57/97/927755797.db2.gz QFSMAIBXAJLQAZ-QFIPXVFZSA-N -1 1 414.509 4.085 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000519113295 927780591 /nfs/dbraw/zinc/78/05/91/927780591.db2.gz VGGDUUWTVSUBJS-UHFFFAOYSA-N -1 1 416.421 4.032 20 0 HIADMM O=S(=O)([N-]c1cccc(COC2CCCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000519119855 927787280 /nfs/dbraw/zinc/78/72/80/927787280.db2.gz QYJAQMNPIQLDEB-UHFFFAOYSA-N -1 1 403.500 4.108 20 0 HIADMM Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000519161699 927807099 /nfs/dbraw/zinc/80/70/99/927807099.db2.gz YSBDISOUWHTIOP-PKTZIBPZSA-N -1 1 414.505 4.262 20 0 HIADMM Cc1ccc(Oc2ccc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)cc2)cc1 ZINC000519164985 927807951 /nfs/dbraw/zinc/80/79/51/927807951.db2.gz AHOSUYHYUHLCHK-UHFFFAOYSA-N -1 1 402.454 4.334 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)ccc1F ZINC000519229984 927837719 /nfs/dbraw/zinc/83/77/19/927837719.db2.gz SGDQLVBIVOSEEZ-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)N(C)c4ccccc4)c3)ccc2O1 ZINC000519266002 927855797 /nfs/dbraw/zinc/85/57/97/927855797.db2.gz INBGJAPMECJDNX-MRXNPFEDSA-N -1 1 422.506 4.087 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000519267916 927856471 /nfs/dbraw/zinc/85/64/71/927856471.db2.gz YYPQSOSIMGEPJT-MRXNPFEDSA-N -1 1 416.543 4.073 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(OC)c(Br)c2)c1 ZINC000519571486 928021299 /nfs/dbraw/zinc/02/12/99/928021299.db2.gz IAPWECCTESSGOT-UHFFFAOYSA-N -1 1 420.712 4.058 20 0 HIADMM Cc1ccc(Cc2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)s1 ZINC000519673577 928046679 /nfs/dbraw/zinc/04/66/79/928046679.db2.gz YOMHWCRVGQTGBM-UHFFFAOYSA-N -1 1 411.508 4.498 20 0 HIADMM O=C(NC[C@@H]1CC=CCC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000519975854 928201935 /nfs/dbraw/zinc/20/19/35/928201935.db2.gz WXNZPFHMOFYJFW-OAHLLOKOSA-N -1 1 404.919 4.227 20 0 HIADMM O=C(NC[C@H]1CC=CCC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000519975853 928202067 /nfs/dbraw/zinc/20/20/67/928202067.db2.gz WXNZPFHMOFYJFW-HNNXBMFYSA-N -1 1 404.919 4.227 20 0 HIADMM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000520018550 928241711 /nfs/dbraw/zinc/24/17/11/928241711.db2.gz WCWUKFIKRBGLDL-HNNXBMFYSA-N -1 1 406.935 4.464 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccncc3)cc2)c1C ZINC000520038084 928262496 /nfs/dbraw/zinc/26/24/96/928262496.db2.gz BZPHCAVJBQKHDR-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM CC[C@H](C)Cc1c(C)sc2nc(-c3ccc(OCC(=O)N(C)C)cc3)[n-]c(=O)c12 ZINC000520077718 928296057 /nfs/dbraw/zinc/29/60/57/928296057.db2.gz WAWMSKXBKKWAJG-ZDUSSCGKSA-N -1 1 413.543 4.428 20 0 HIADMM CC[C@@H](C)Cc1c(C)sc2nc(-c3ccc(OCC(=O)N(C)C)cc3)[n-]c(=O)c12 ZINC000520077717 928296494 /nfs/dbraw/zinc/29/64/94/928296494.db2.gz WAWMSKXBKKWAJG-CYBMUJFWSA-N -1 1 413.543 4.428 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1 ZINC000520096370 928308431 /nfs/dbraw/zinc/30/84/31/928308431.db2.gz GIJTYKVOAXMFFF-LJQANCHMSA-N -1 1 401.488 4.004 20 0 HIADMM CCCc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)n[nH]1 ZINC000520358479 928518209 /nfs/dbraw/zinc/51/82/09/928518209.db2.gz IUNCXWKSPFMQGW-UHFFFAOYSA-N -1 1 412.515 4.032 20 0 HIADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1nc(C)cs1 ZINC000520528634 928620918 /nfs/dbraw/zinc/62/09/18/928620918.db2.gz CTYKCTXEADBDDP-SFHVURJKSA-N -1 1 415.540 4.133 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC(C)(C)c3ccccc3)cc2)cc1 ZINC000520723325 928771672 /nfs/dbraw/zinc/77/16/72/928771672.db2.gz UKBPWHUNGRZVKN-UHFFFAOYSA-N -1 1 424.522 4.161 20 0 HIADMM O=C(Nc1cccc(F)c1F)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000520874184 928854580 /nfs/dbraw/zinc/85/45/80/928854580.db2.gz KCJQARIUOYJNLS-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3(C)CCCC3)cc2)cc1 ZINC000521288681 929102444 /nfs/dbraw/zinc/10/24/44/929102444.db2.gz URZUWHSHOVURHY-UHFFFAOYSA-N -1 1 416.543 4.196 20 0 HIADMM O=S(=O)([N-]c1cccc(OC[C@H]2CCCO2)c1)c1cc(Cl)cc(Cl)c1 ZINC000521337190 929150369 /nfs/dbraw/zinc/15/03/69/929150369.db2.gz RMMHCRMWLJPXIQ-MRXNPFEDSA-N -1 1 402.299 4.352 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3F)cc2)cc1 ZINC000521480090 929244282 /nfs/dbraw/zinc/24/42/82/929244282.db2.gz GNYOPEZHSFQRKK-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000521495205 929252111 /nfs/dbraw/zinc/25/21/11/929252111.db2.gz PFBDUYNBLJODLZ-QFIPXVFZSA-N -1 1 420.488 4.282 20 0 HIADMM CCC[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000521573349 929304806 /nfs/dbraw/zinc/30/48/06/929304806.db2.gz UGGAWZCSGOKWQH-KRWDZBQOSA-N -1 1 404.532 4.195 20 0 HIADMM CC[C@@H](c1nnc([N-]C(=O)c2csc(-c3cnccn3)n2)s1)c1ccccc1 ZINC000521632929 929335213 /nfs/dbraw/zinc/33/52/13/929335213.db2.gz OAVKXFXBJQCLNN-CYBMUJFWSA-N -1 1 408.512 4.246 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl)N1CCCCC1 ZINC000521631830 929335333 /nfs/dbraw/zinc/33/53/33/929335333.db2.gz WCYHVSGBHJDPGK-UHFFFAOYSA-N -1 1 414.861 4.045 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2ccccc2OC(C)(C)C)ccc1OCCCC(=O)[O-] ZINC000524548949 929678932 /nfs/dbraw/zinc/67/89/32/929678932.db2.gz DDWFMAVTIOXHSA-UHFFFAOYSA-N -1 1 421.515 4.217 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccc(F)c(F)c1 ZINC000524628223 929737460 /nfs/dbraw/zinc/73/74/60/929737460.db2.gz PDPCWZRWUPBJAG-UHFFFAOYSA-N -1 1 413.405 4.483 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](C)[C@H]3C)c2)cc1 ZINC000524653797 929766437 /nfs/dbraw/zinc/76/64/37/929766437.db2.gz JDRZXWPXWYADRN-IAGOWNOFSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C2CC2)cc1C ZINC000524840787 929854341 /nfs/dbraw/zinc/85/43/41/929854341.db2.gz NYYCFILFWGUNPU-UHFFFAOYSA-N -1 1 416.525 4.293 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c1 ZINC000525009085 929971290 /nfs/dbraw/zinc/97/12/90/929971290.db2.gz LILQFFHPSPVZLK-UHFFFAOYSA-N -1 1 418.858 4.115 20 0 HIADMM COc1cc(NC(=O)c2ccccc2OC2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000525067205 930013966 /nfs/dbraw/zinc/01/39/66/930013966.db2.gz BRDSTPWSSGUWIG-UHFFFAOYSA-N -1 1 418.515 4.031 20 0 HIADMM COc1cc(Cl)ccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525069733 930016503 /nfs/dbraw/zinc/01/65/03/930016503.db2.gz KWQSQNAKUNBNRF-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]3Cc3ccccc3)c2)cc1 ZINC000525100953 930035321 /nfs/dbraw/zinc/03/53/21/930035321.db2.gz UMWLJXWDJHDCET-NFBKMPQASA-N -1 1 420.534 4.157 20 0 HIADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000525104790 930038727 /nfs/dbraw/zinc/03/87/27/930038727.db2.gz GFLHANVRHKVWRC-LSDHHAIUSA-N -1 1 422.497 4.416 20 0 HIADMM CC(C)(C)OC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000525228978 930094867 /nfs/dbraw/zinc/09/48/67/930094867.db2.gz VFSBDKYZOIWFFC-UHFFFAOYSA-N -1 1 416.474 4.059 20 0 HIADMM O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1ccc2ncccc2c1 ZINC000525329937 930166593 /nfs/dbraw/zinc/16/65/93/930166593.db2.gz XTAUZECYCDNNOP-UHFFFAOYSA-N -1 1 400.510 4.038 20 0 HIADMM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cn2)cc1 ZINC000525535144 930308749 /nfs/dbraw/zinc/30/87/49/930308749.db2.gz IIPXUDRERBGBEO-UHFFFAOYSA-N -1 1 420.874 4.345 20 0 HIADMM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccncc1 ZINC000525585837 930347522 /nfs/dbraw/zinc/34/75/22/930347522.db2.gz RSFDPYADKAMCCG-OAQYLSRUSA-N -1 1 409.511 4.072 20 0 HIADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000525616204 930363823 /nfs/dbraw/zinc/36/38/23/930363823.db2.gz LKDDPJKEWIOFSG-HZPDHXFCSA-N -1 1 404.507 4.277 20 0 HIADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000525616208 930364121 /nfs/dbraw/zinc/36/41/21/930364121.db2.gz LKDDPJKEWIOFSG-JKSUJKDBSA-N -1 1 404.507 4.277 20 0 HIADMM COc1cc(C(=O)NCc2cccc(COCc3ccco3)c2)cc(Cl)c1[O-] ZINC000527198493 930610180 /nfs/dbraw/zinc/61/01/80/930610180.db2.gz OOQCOSWRTHKKBM-UHFFFAOYSA-N -1 1 401.846 4.294 20 0 HIADMM Cn1ccc2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)cc21 ZINC000527492439 930668324 /nfs/dbraw/zinc/66/83/24/930668324.db2.gz DOAIKNYQRYBQHJ-UHFFFAOYSA-N -1 1 423.469 4.371 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000530614710 930773071 /nfs/dbraw/zinc/77/30/71/930773071.db2.gz GWPJISQXTZZRAP-OAHLLOKOSA-N -1 1 420.513 4.253 20 0 HIADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000530856217 930841678 /nfs/dbraw/zinc/84/16/78/930841678.db2.gz YXKHJUMNUURFDR-CQSZACIVSA-N -1 1 424.238 4.040 20 0 HIADMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000530955846 930867865 /nfs/dbraw/zinc/86/78/65/930867865.db2.gz UELHPTOZKBRXJX-UHFFFAOYSA-N -1 1 404.271 4.063 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(COCc2ccco2)c1 ZINC000531331292 931020023 /nfs/dbraw/zinc/02/00/23/931020023.db2.gz ZELJBHXHIQNSOM-UHFFFAOYSA-N -1 1 409.486 4.028 20 0 HIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)c2)n1 ZINC000531345075 931025388 /nfs/dbraw/zinc/02/53/88/931025388.db2.gz IISYXPPPAHFTAM-UHFFFAOYSA-N -1 1 411.405 4.481 20 0 HIADMM CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000531560588 931103560 /nfs/dbraw/zinc/10/35/60/931103560.db2.gz KYLLWHCVEWMBEH-YJYMSZOUSA-N -1 1 408.907 4.221 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)c(C)n1 ZINC000531774678 931191253 /nfs/dbraw/zinc/19/12/53/931191253.db2.gz SUPWZXNBODFQMB-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM CCCC1(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])CC1 ZINC000532122669 931321656 /nfs/dbraw/zinc/32/16/56/931321656.db2.gz UUWJTDVSZXAUMN-UHFFFAOYSA-N -1 1 408.907 4.365 20 0 HIADMM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000532621214 931557001 /nfs/dbraw/zinc/55/70/01/931557001.db2.gz NEUIZWUBGLTCGN-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1cnc(CCN(C)Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)s1 ZINC000533669635 931960913 /nfs/dbraw/zinc/96/09/13/931960913.db2.gz ABQIYCBNPQFKMJ-UHFFFAOYSA-N -1 1 414.531 4.230 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCC(F)(F)CC3)cc2)cc1 ZINC000534204626 932330045 /nfs/dbraw/zinc/33/00/45/932330045.db2.gz CPFAIHTUUYPKDE-UHFFFAOYSA-N -1 1 408.470 4.104 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1OCC(F)(F)F ZINC000534401457 932425169 /nfs/dbraw/zinc/42/51/69/932425169.db2.gz IGZOEOYKEZUKNX-UHFFFAOYSA-N -1 1 413.776 4.230 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)C3CCOCC3)ccc2C)c1 ZINC000534413629 932434461 /nfs/dbraw/zinc/43/44/61/932434461.db2.gz MSQMQNUJCTXBBS-QGZVFWFLSA-N -1 1 416.543 4.105 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1CC ZINC000534496165 932530881 /nfs/dbraw/zinc/53/08/81/932530881.db2.gz OHJFPVMZYVQCJQ-UHFFFAOYSA-N -1 1 400.544 4.125 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1S(C)(=O)=O ZINC000534689009 932659775 /nfs/dbraw/zinc/65/97/75/932659775.db2.gz NXTMMMWDTFCNCJ-UHFFFAOYSA-N -1 1 415.492 4.099 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)cc1 ZINC000534739055 932709690 /nfs/dbraw/zinc/70/96/90/932709690.db2.gz BZUGJXKLGWIWHH-QFIPXVFZSA-N -1 1 421.522 4.072 20 0 HIADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)cc2nc1C1CC1 ZINC000534794847 932775078 /nfs/dbraw/zinc/77/50/78/932775078.db2.gz QSWAISJQDCVCKG-UHFFFAOYSA-N -1 1 424.295 4.153 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(CSC3CCOCC3)c2)c1 ZINC000535100793 932917475 /nfs/dbraw/zinc/91/74/75/932917475.db2.gz QYHLKZWEWGHUTQ-UHFFFAOYSA-N -1 1 400.500 4.015 20 0 HIADMM CC1=CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000535195331 933007545 /nfs/dbraw/zinc/00/75/45/933007545.db2.gz JOBMDYULJXDLAV-UHFFFAOYSA-N -1 1 408.882 4.072 20 0 HIADMM CCc1onc(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000535491912 933180820 /nfs/dbraw/zinc/18/08/20/933180820.db2.gz LTZTYYBYGMWMKQ-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM CC(C)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000535507524 933200369 /nfs/dbraw/zinc/20/03/69/933200369.db2.gz KOIBDNLAEGDWGE-UHFFFAOYSA-N -1 1 411.277 4.220 20 0 HIADMM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1cnc([C@H]2CCCO2)s1 ZINC000535529926 933221323 /nfs/dbraw/zinc/22/13/23/933221323.db2.gz RPOVQZGLKQVQEL-LLVKDONJSA-N -1 1 409.393 4.051 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)ccc1C ZINC000535737734 933372678 /nfs/dbraw/zinc/37/26/78/933372678.db2.gz FCALLWLLPKFDRI-UHFFFAOYSA-N -1 1 401.532 4.499 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000535841497 933426074 /nfs/dbraw/zinc/42/60/74/933426074.db2.gz TZRJUJIJTLXYSK-UHFFFAOYSA-N -1 1 404.426 4.247 20 0 HIADMM O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C2CC2)cc1 ZINC000537406086 933761461 /nfs/dbraw/zinc/76/14/61/933761461.db2.gz CZMGLPWCZODEOH-UHFFFAOYSA-N -1 1 418.415 4.108 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc(Cl)c1[O-] ZINC000562499596 945093857 /nfs/dbraw/zinc/09/38/57/945093857.db2.gz MMXLBHUBZNKQKX-UHFFFAOYSA-N -1 1 407.804 4.375 20 0 HIADMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2ccccc2Oc2cccc(F)c2)c1 ZINC000562808275 945121570 /nfs/dbraw/zinc/12/15/70/945121570.db2.gz AXRIUYIZLLJSBT-UHFFFAOYSA-N -1 1 401.415 4.046 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1 ZINC000537596954 938331024 /nfs/dbraw/zinc/33/10/24/938331024.db2.gz QFVOVHOVYGQZGO-UHFFFAOYSA-N -1 1 415.291 4.420 20 0 HIADMM Cc1nc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)cc1Cl ZINC000537600475 938331996 /nfs/dbraw/zinc/33/19/96/938331996.db2.gz MQXVSOLWJNFPTC-UHFFFAOYSA-N -1 1 401.193 4.396 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000537728020 938363955 /nfs/dbraw/zinc/36/39/55/938363955.db2.gz MRIHZMXUXAZDAM-UHFFFAOYSA-N -1 1 421.331 4.092 20 0 HIADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)c1 ZINC000537750633 938369265 /nfs/dbraw/zinc/36/92/65/938369265.db2.gz ZACVKWRNZLKKMG-UHFFFAOYSA-N -1 1 416.524 4.192 20 0 HIADMM COCCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1Cl ZINC000538016941 938463266 /nfs/dbraw/zinc/46/32/66/938463266.db2.gz NXOXJNCQAVMKEE-UHFFFAOYSA-N -1 1 408.278 4.267 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000538047641 938481430 /nfs/dbraw/zinc/48/14/30/938481430.db2.gz LBEOCJRTAGPITR-UHFFFAOYSA-N -1 1 416.499 4.277 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000538050300 938483235 /nfs/dbraw/zinc/48/32/35/938483235.db2.gz NFGFQOPMJANNCF-UHFFFAOYSA-N -1 1 414.458 4.029 20 0 HIADMM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1Br ZINC000538137351 938516679 /nfs/dbraw/zinc/51/66/79/938516679.db2.gz ICESDFSEOMEHGG-UHFFFAOYSA-N -1 1 411.321 4.134 20 0 HIADMM O=C(CC1(Cc2nc3ccccc3s2)CCCCC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000538228344 938566229 /nfs/dbraw/zinc/56/62/29/938566229.db2.gz VPISKGDBJUDPCA-INIZCTEOSA-N -1 1 424.574 4.099 20 0 HIADMM C[C@H]1CC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000538747184 938700322 /nfs/dbraw/zinc/70/03/22/938700322.db2.gz ITAOHQCGEAILTR-KBPBESRZSA-N -1 1 422.934 4.283 20 0 HIADMM O=C(NCCCc1cccs1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000538818264 938719717 /nfs/dbraw/zinc/71/97/17/938719717.db2.gz PSGRBTBMZJSHIH-UHFFFAOYSA-N -1 1 418.515 4.051 20 0 HIADMM CC1=C(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])CCC1 ZINC000538873572 938729132 /nfs/dbraw/zinc/72/91/32/938729132.db2.gz XNHMSHNPULKQBD-UHFFFAOYSA-N -1 1 406.891 4.285 20 0 HIADMM O=C(N[C@@H]1CC12CCCCC2)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000538892115 938731459 /nfs/dbraw/zinc/73/14/59/938731459.db2.gz IYXZVJNDVAEGNU-LJQANCHMSA-N -1 1 402.491 4.079 20 0 HIADMM O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539325480 938841636 /nfs/dbraw/zinc/84/16/36/938841636.db2.gz JITYFAMCMYHWCA-INIZCTEOSA-N -1 1 413.934 4.165 20 0 HIADMM O=C(c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539325074 938841766 /nfs/dbraw/zinc/84/17/66/938841766.db2.gz CVRDBFPPIYZQBT-LBPRGKRZSA-N -1 1 420.275 4.332 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)c(C)c1C ZINC000539596241 938885515 /nfs/dbraw/zinc/88/55/15/938885515.db2.gz UGLTWDBOFCOJDZ-UHFFFAOYSA-N -1 1 409.467 4.316 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccn4)nc3c2)cc1 ZINC000539807579 938939095 /nfs/dbraw/zinc/93/90/95/938939095.db2.gz FNHWAGFLNNMOBK-UHFFFAOYSA-N -1 1 408.483 4.213 20 0 HIADMM Cc1nc([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C)c2ccc(Cl)cc2)no1 ZINC000539945678 938980141 /nfs/dbraw/zinc/98/01/41/938980141.db2.gz HLTKFIGDZCHKRH-MRXNPFEDSA-N -1 1 412.298 4.061 20 0 HIADMM CCC1(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])CCC1 ZINC000539979144 939028938 /nfs/dbraw/zinc/02/89/38/939028938.db2.gz WNAMAFFDRYVDJK-UHFFFAOYSA-N -1 1 408.907 4.365 20 0 HIADMM O=C(N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000540208578 939127930 /nfs/dbraw/zinc/12/79/30/939127930.db2.gz HGHXAXPOLOUSLQ-INIZCTEOSA-N -1 1 421.806 4.476 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000540250351 939168082 /nfs/dbraw/zinc/16/80/82/939168082.db2.gz UBEWUZGNJPTNTQ-CHWSQXEVSA-N -1 1 417.289 4.246 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000540250951 939168210 /nfs/dbraw/zinc/16/82/10/939168210.db2.gz WMYWIOWURJWHGZ-UHFFFAOYSA-N -1 1 405.278 4.075 20 0 HIADMM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(C)c3Cl)n2)cc1F ZINC000540517385 939284730 /nfs/dbraw/zinc/28/47/30/939284730.db2.gz SDASUAVZLIUZRV-GFCCVEGCSA-N -1 1 409.870 4.185 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000540517226 939284856 /nfs/dbraw/zinc/28/48/56/939284856.db2.gz GBZTWXZRHADZDU-UHFFFAOYSA-N -1 1 401.470 4.379 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2C)cc1C ZINC000541306229 939490298 /nfs/dbraw/zinc/49/02/98/939490298.db2.gz IQNUNGWRDCUNSI-UHFFFAOYSA-N -1 1 413.499 4.349 20 0 HIADMM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000541752620 939620937 /nfs/dbraw/zinc/62/09/37/939620937.db2.gz PWLRQKXOCGHMOR-JTSKRJEESA-N -1 1 421.522 4.106 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1-c1ccno1 ZINC000542006821 939682205 /nfs/dbraw/zinc/68/22/05/939682205.db2.gz CWPNYPTWTINCAV-UHFFFAOYSA-N -1 1 406.423 4.279 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)c(C)c1F ZINC000542092432 939708622 /nfs/dbraw/zinc/70/86/22/939708622.db2.gz AGQKRZBLZUONJV-UHFFFAOYSA-N -1 1 407.385 4.193 20 0 HIADMM COc1cccc2ncnc(Oc3cccc([N-]S(=O)(=O)c4ccccc4)c3)c21 ZINC000542121562 939721124 /nfs/dbraw/zinc/72/11/24/939721124.db2.gz NFPTZEMETZODBY-UHFFFAOYSA-N -1 1 407.451 4.232 20 0 HIADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542486711 939831813 /nfs/dbraw/zinc/83/18/13/939831813.db2.gz URZOMSBFTYMCMB-JTQLQIEISA-N -1 1 408.667 4.358 20 0 HIADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000542492083 939832422 /nfs/dbraw/zinc/83/24/22/939832422.db2.gz BPZHLARLZXKFQJ-UHFFFAOYSA-N -1 1 417.874 4.298 20 0 HIADMM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000543168917 939984143 /nfs/dbraw/zinc/98/41/43/939984143.db2.gz JJRLTTPHWUNZBT-LLVKDONJSA-N -1 1 412.722 4.166 20 0 HIADMM Cc1nc(-c2ccccc2)sc1NC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000543329227 940032698 /nfs/dbraw/zinc/03/26/98/940032698.db2.gz OAHPIOKSMVOMBX-UHFFFAOYSA-N -1 1 401.513 4.051 20 0 HIADMM Cc1cc(C)cc([C@H]2CCN(C(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)c1 ZINC000543345262 940036808 /nfs/dbraw/zinc/03/68/08/940036808.db2.gz MSZKZGNBISDUIZ-FQEVSTJZSA-N -1 1 416.525 4.118 20 0 HIADMM Cc1cc(C(F)(F)F)nc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000543435478 940063819 /nfs/dbraw/zinc/06/38/19/940063819.db2.gz WMEYHJYRKMHZLE-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000543567806 940112908 /nfs/dbraw/zinc/11/29/08/940112908.db2.gz BSMRAOWBMNQQQL-UHFFFAOYSA-N -1 1 402.410 4.188 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1(Cc2ccccc2)CCCC1 ZINC000543601611 940127120 /nfs/dbraw/zinc/12/71/20/940127120.db2.gz IQUQNPAZGOTOKG-UHFFFAOYSA-N -1 1 416.525 4.157 20 0 HIADMM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000543608217 940129208 /nfs/dbraw/zinc/12/92/08/940129208.db2.gz IQXUAVGOIZEBRO-VGSWGCGISA-N -1 1 421.522 4.106 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(F)cc2)c1-c1cccc(Br)c1 ZINC000543683248 940159048 /nfs/dbraw/zinc/15/90/48/940159048.db2.gz FIOYKZZWWVPUHT-UHFFFAOYSA-N -1 1 410.268 4.088 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3OCO4)cc2)c1C ZINC000543917767 940244605 /nfs/dbraw/zinc/24/46/05/940244605.db2.gz KAEFXNSPDLOHQU-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCCCS3)ccc2C)c1 ZINC000544018215 940300969 /nfs/dbraw/zinc/30/09/69/940300969.db2.gz ISPAAHXMRCQGOT-GOSISDBHSA-N -1 1 404.557 4.328 20 0 HIADMM Cc1ccc(Br)c(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000544098739 940326470 /nfs/dbraw/zinc/32/64/70/940326470.db2.gz BHWSAVNJNMNEQX-GFCCVEGCSA-N -1 1 412.305 4.137 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000544646161 940497858 /nfs/dbraw/zinc/49/78/58/940497858.db2.gz JTEMPKJRUJPURJ-UHFFFAOYSA-N -1 1 404.532 4.175 20 0 HIADMM O=C(NCC1Cc2ccccc2C1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544887311 940521751 /nfs/dbraw/zinc/52/17/51/940521751.db2.gz SYJCDDHLKWTILI-UHFFFAOYSA-N -1 1 421.522 4.024 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1C ZINC000544931541 940526302 /nfs/dbraw/zinc/52/63/02/940526302.db2.gz QZDPYUVUBYGHHN-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc([C@H]3CCO[C@@H](C)C3)no2)cc1 ZINC000545091939 940541686 /nfs/dbraw/zinc/54/16/86/940541686.db2.gz HAZGMEZATRGDIW-RDJZCZTQSA-N -1 1 413.499 4.128 20 0 HIADMM CCOc1cc(C(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)cc(Cl)c1[O-] ZINC000545133764 940547256 /nfs/dbraw/zinc/54/72/56/940547256.db2.gz BGZPYQUEZDSIQX-UHFFFAOYSA-N -1 1 404.894 4.431 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc(Cl)c1[O-] ZINC000545169269 940553819 /nfs/dbraw/zinc/55/38/19/940553819.db2.gz GHWVUHNENRJQSK-UHFFFAOYSA-N -1 1 403.910 4.150 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(CC(F)(F)F)no3)c2)c1 ZINC000545588618 940576062 /nfs/dbraw/zinc/57/60/62/940576062.db2.gz GPPVMEPGHHFSKA-UHFFFAOYSA-N -1 1 411.405 4.259 20 0 HIADMM Cc1cncc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)n2)c1 ZINC000545611547 940577195 /nfs/dbraw/zinc/57/71/95/940577195.db2.gz YQIGLRPANJMDDC-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(C)c1 ZINC000545849509 940633050 /nfs/dbraw/zinc/63/30/50/940633050.db2.gz COCRTTDTYZQFGG-UHFFFAOYSA-N -1 1 415.536 4.175 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)cc(Cl)c1[O-] ZINC000545853937 940637668 /nfs/dbraw/zinc/63/76/68/940637668.db2.gz LJBIHKRJEVKVDD-VWLOTQADSA-N -1 1 402.299 4.229 20 0 HIADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000546192942 940726146 /nfs/dbraw/zinc/72/61/46/940726146.db2.gz RXRZAYWEJAODEV-DOMZBBRYSA-N -1 1 407.251 4.015 20 0 HIADMM O=C(Nc1ccccc1CC(F)(F)F)c1ccc(I)c([O-])c1 ZINC000546212688 940730575 /nfs/dbraw/zinc/73/05/75/940730575.db2.gz DIAZZNSCUZFWEG-UHFFFAOYSA-N -1 1 421.156 4.354 20 0 HIADMM CCN(CCC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000546214727 940731446 /nfs/dbraw/zinc/73/14/46/940731446.db2.gz JWJZVAZEEWOPTK-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CC(C)Oc1ccc(NC(=O)c2ccc(I)c([O-])c2)c(F)c1 ZINC000546225119 940734950 /nfs/dbraw/zinc/73/49/50/940734950.db2.gz FMNUIXPDRGGJSH-UHFFFAOYSA-N -1 1 415.202 4.175 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc4sccc4c3)no2)o1 ZINC000546395413 940810026 /nfs/dbraw/zinc/81/00/26/940810026.db2.gz IRDIYJPFJWAPOL-UHFFFAOYSA-N -1 1 403.485 4.288 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(COCC4CC4)no3)c2)c1 ZINC000546442990 940821091 /nfs/dbraw/zinc/82/10/91/940821091.db2.gz XNGAKRUXUMZQQK-UHFFFAOYSA-N -1 1 413.499 4.081 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000546563819 940854203 /nfs/dbraw/zinc/85/42/03/940854203.db2.gz KOUQHVJTULGVNS-CQSZACIVSA-N -1 1 409.841 4.394 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000546564655 940854494 /nfs/dbraw/zinc/85/44/94/940854494.db2.gz VWQNSAJRGPGHBP-AWEZNQCLSA-N -1 1 405.853 4.319 20 0 HIADMM CCOc1cc(C(=O)N(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cc(Cl)c1[O-] ZINC000546584408 940857913 /nfs/dbraw/zinc/85/79/13/940857913.db2.gz SSJBHAHAZJNJJU-IBGZPJMESA-N -1 1 417.868 4.179 20 0 HIADMM Cc1nc(CC(C)C)c(NC(=O)c2ccc(I)c([O-])c2)s1 ZINC000546870253 940898829 /nfs/dbraw/zinc/89/88/29/940898829.db2.gz DZTFMHUNHFMSLI-UHFFFAOYSA-N -1 1 416.284 4.213 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2CSC)c1 ZINC000546888253 940901406 /nfs/dbraw/zinc/90/14/06/940901406.db2.gz XNIGSYFXWIPBRL-UHFFFAOYSA-N -1 1 402.335 4.122 20 0 HIADMM COCc1cccc(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000546929648 940917066 /nfs/dbraw/zinc/91/70/66/940917066.db2.gz KUFHIVJIYYJJHI-UHFFFAOYSA-N -1 1 411.483 4.278 20 0 HIADMM COCc1ccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)cc1 ZINC000547050191 940974485 /nfs/dbraw/zinc/97/44/85/940974485.db2.gz JKJZQOORSFHKCC-UHFFFAOYSA-N -1 1 421.478 4.351 20 0 HIADMM CCC(CC)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)n1 ZINC000547082564 940988117 /nfs/dbraw/zinc/98/81/17/940988117.db2.gz HRXGAWJISDEVMD-UHFFFAOYSA-N -1 1 401.488 4.450 20 0 HIADMM COC1(c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4C)cc3)n2)CCC1 ZINC000547221193 941036468 /nfs/dbraw/zinc/03/64/68/941036468.db2.gz GNBYYDRMBHMWJI-UHFFFAOYSA-N -1 1 417.462 4.011 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000547261847 941046705 /nfs/dbraw/zinc/04/67/05/941046705.db2.gz IEOVKLKIPVVYMK-AEFFLSMTSA-N -1 1 409.313 4.273 20 0 HIADMM CCOc1cc(C(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)cc(Cl)c1[O-] ZINC000547267176 941048566 /nfs/dbraw/zinc/04/85/66/941048566.db2.gz FBEWZLBXUNQDLA-KRWDZBQOSA-N -1 1 413.861 4.076 20 0 HIADMM CCOc1cc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cc(Cl)c1[O-] ZINC000547270923 941049802 /nfs/dbraw/zinc/04/98/02/941049802.db2.gz TXEXAHBIKASBKM-UHFFFAOYSA-N -1 1 416.836 4.046 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3cnccc3C)cc2)cc1C ZINC000547363618 941058645 /nfs/dbraw/zinc/05/86/45/941058645.db2.gz YTZDYNODZPKFOR-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000547955155 941080479 /nfs/dbraw/zinc/08/04/79/941080479.db2.gz KQZVBERZUWZVPD-UHFFFAOYSA-N -1 1 415.478 4.282 20 0 HIADMM CN(c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCCC1 ZINC000548770199 941123284 /nfs/dbraw/zinc/12/32/84/941123284.db2.gz SFQWYWZJOWVAEB-UHFFFAOYSA-N -1 1 413.543 4.096 20 0 HIADMM CC1=C(c2ccco2)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000548930943 941130377 /nfs/dbraw/zinc/13/03/77/941130377.db2.gz CDLJNSUDVPXKFW-UHFFFAOYSA-N -1 1 422.506 4.400 20 0 HIADMM Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C1CCC1 ZINC000549522074 941197966 /nfs/dbraw/zinc/19/79/66/941197966.db2.gz POCFRUOKYHDZCG-UHFFFAOYSA-N -1 1 409.511 4.346 20 0 HIADMM O=S(=O)([N-]CCc1cc2ccccc2s1)c1sccc1Br ZINC000549524084 941198046 /nfs/dbraw/zinc/19/80/46/941198046.db2.gz GUSDAKPCDRQBHH-UHFFFAOYSA-N -1 1 402.360 4.246 20 0 HIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(Br)c1Cl ZINC000549606896 941201108 /nfs/dbraw/zinc/20/11/08/941201108.db2.gz AEHUVQUMIYIYQL-UHFFFAOYSA-N -1 1 406.733 4.298 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4[nH]c(C(F)F)nc4c3)cc(Cl)c2O1 ZINC000550642795 941349058 /nfs/dbraw/zinc/34/90/58/941349058.db2.gz UGWJMXCGTQTPTD-MRVPVSSYSA-N -1 1 413.833 4.278 20 0 HIADMM O=C(Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1F)C1CCCCC1 ZINC000550967741 941387760 /nfs/dbraw/zinc/38/77/60/941387760.db2.gz CIAPWXFNPZWIDS-UHFFFAOYSA-N -1 1 418.490 4.176 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cccc(Br)c2Cl)cc1OC ZINC000551114374 941412698 /nfs/dbraw/zinc/41/26/98/941412698.db2.gz LQJQUJZLCPUISJ-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1C ZINC000551383179 941465920 /nfs/dbraw/zinc/46/59/20/941465920.db2.gz BSYLNPLNLUFEKP-UHFFFAOYSA-N -1 1 413.124 4.151 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccc(Cl)c3)c2)cc1C(N)=O ZINC000551415348 941474429 /nfs/dbraw/zinc/47/44/29/941474429.db2.gz OINJTOPXPWAGBS-UHFFFAOYSA-N -1 1 400.887 4.215 20 0 HIADMM CCOC(=O)c1sc2[n-]c(COc3cccc(Cl)c3Cl)nc(=O)c2c1C ZINC000551696959 941528254 /nfs/dbraw/zinc/52/82/54/941528254.db2.gz NQJSAVWJLKBNHI-UHFFFAOYSA-N -1 1 413.282 4.356 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cnn(Cc2ccccc2)c1 ZINC000552022284 941569977 /nfs/dbraw/zinc/56/99/77/941569977.db2.gz ZLCOSAAZNKATGG-UHFFFAOYSA-N -1 1 406.667 4.305 20 0 HIADMM C[C@@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)n1ccc2ccccc2c1=O ZINC000552022668 941569999 /nfs/dbraw/zinc/56/99/99/941569999.db2.gz ADNOZAQCUDNFGN-JTQLQIEISA-N -1 1 421.678 4.323 20 0 HIADMM CCc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000552182268 941597490 /nfs/dbraw/zinc/59/74/90/941597490.db2.gz NASFXIUXTMHOPU-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCc1csc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)n1 ZINC000552482645 941683777 /nfs/dbraw/zinc/68/37/77/941683777.db2.gz ARHXKWXWDMUBCR-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000552605138 941719323 /nfs/dbraw/zinc/71/93/23/941719323.db2.gz PAXYRMZWTWWAQL-UHFFFAOYSA-N -1 1 408.849 4.036 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000552960526 941808819 /nfs/dbraw/zinc/80/88/19/941808819.db2.gz TZEDHEGOVIPDMN-UHFFFAOYSA-N -1 1 415.559 4.389 20 0 HIADMM COc1cc(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000553077943 941829372 /nfs/dbraw/zinc/82/93/72/941829372.db2.gz IRTCILUNHWMZOR-UHFFFAOYSA-N -1 1 403.784 4.268 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000553331681 941868949 /nfs/dbraw/zinc/86/89/49/941868949.db2.gz RSKFBQADQVCFTD-KKSFZXQISA-N -1 1 402.498 4.095 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2nc(C(F)(F)F)ns2)c1)c1ccccc1 ZINC000553411785 941880942 /nfs/dbraw/zinc/88/09/42/941880942.db2.gz JDXIXBPJBCEXML-UHFFFAOYSA-N -1 1 401.391 4.150 20 0 HIADMM Cc1ccc(NC(=O)CC2(C(F)(F)F)CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000553615116 941921930 /nfs/dbraw/zinc/92/19/30/941921930.db2.gz LQNJITRQHQXIQI-UHFFFAOYSA-N -1 1 412.433 4.467 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000554426092 942138452 /nfs/dbraw/zinc/13/84/52/942138452.db2.gz DBEQTEZYVTZMQF-LBPRGKRZSA-N -1 1 424.831 4.138 20 0 HIADMM O=C([N-]c1nnc(C2CCOCC2)s1)c1cnoc1-c1ccc(F)cc1Cl ZINC000554634464 942182067 /nfs/dbraw/zinc/18/20/67/942182067.db2.gz ZSUDNSCRRMXBFB-UHFFFAOYSA-N -1 1 408.842 4.132 20 0 HIADMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(OC)cc3Cl)n2)cc1 ZINC000554705008 942205301 /nfs/dbraw/zinc/20/53/01/942205301.db2.gz XCHVKUBBXFSCQD-GFCCVEGCSA-N -1 1 421.906 4.001 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(F)(F)[C@@H](C)C3)cc2)cc1C ZINC000555115864 942389304 /nfs/dbraw/zinc/38/93/04/942389304.db2.gz XGNCNWUHCOYPTG-INIZCTEOSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(F)(F)[C@H](C)C3)cc2)cc1C ZINC000555115865 942389545 /nfs/dbraw/zinc/38/95/45/942389545.db2.gz XGNCNWUHCOYPTG-MRXNPFEDSA-N -1 1 422.497 4.222 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccnc2cccnc21 ZINC000555138731 942399844 /nfs/dbraw/zinc/39/98/44/942399844.db2.gz RPOFEHPNRIQDDL-UHFFFAOYSA-N -1 1 404.495 4.067 20 0 HIADMM CC(=O)c1cc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cs1 ZINC000555313726 942473478 /nfs/dbraw/zinc/47/34/78/942473478.db2.gz HTENFYCSDLHMBA-UHFFFAOYSA-N -1 1 414.508 4.312 20 0 HIADMM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000556176767 942814463 /nfs/dbraw/zinc/81/44/63/942814463.db2.gz GJCUDDGNMZLRTH-QFIPXVFZSA-N -1 1 412.747 4.326 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c2ccccc2n1C ZINC000556350657 942848348 /nfs/dbraw/zinc/84/83/48/942848348.db2.gz IELUJJGYCRDBIS-UHFFFAOYSA-N -1 1 402.369 4.167 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(CO)ccc3C)cc2)c1 ZINC000556630073 942921049 /nfs/dbraw/zinc/92/10/49/942921049.db2.gz JETIZTLYGOUXNT-UHFFFAOYSA-N -1 1 424.522 4.157 20 0 HIADMM O=C(CCc1nnc(C2CCCC2)o1)Nc1c([O-])cc(Br)cc1Cl ZINC000556847631 942938906 /nfs/dbraw/zinc/93/89/06/942938906.db2.gz WSIFOIQWWDIKLN-UHFFFAOYSA-N -1 1 414.687 4.420 20 0 HIADMM COc1ccccc1CCN(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000557022003 942996388 /nfs/dbraw/zinc/99/63/88/942996388.db2.gz IJGGRITWXMUBHV-UHFFFAOYSA-N -1 1 423.513 4.474 20 0 HIADMM Cc1cc(-c2ncco2)ccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000557039737 943002539 /nfs/dbraw/zinc/00/25/39/943002539.db2.gz RUYBJAFNATVJIK-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)c2)cc1 ZINC000557359112 943086249 /nfs/dbraw/zinc/08/62/49/943086249.db2.gz XPYRTWVNAHIISC-FGZHOGPDSA-N -1 1 424.497 4.221 20 0 HIADMM Cc1ccc(NC(=O)c2ncccc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000557522612 943189697 /nfs/dbraw/zinc/18/96/97/943189697.db2.gz CGJXVBTWYNIMGW-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)n1 ZINC000558519294 943586315 /nfs/dbraw/zinc/58/63/15/943586315.db2.gz LGCKDTSHGIIIBT-HXUWFJFHSA-N -1 1 401.488 4.117 20 0 HIADMM O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000558733005 943634577 /nfs/dbraw/zinc/63/45/77/943634577.db2.gz ZARFONSVLBPRNX-AWEZNQCLSA-N -1 1 409.873 4.085 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)ccc1NC(=O)c1ccco1 ZINC000559304797 943893791 /nfs/dbraw/zinc/89/37/91/943893791.db2.gz KWXRLJFXMZBPEB-UHFFFAOYSA-N -1 1 408.838 4.434 20 0 HIADMM COc1cccc(CO[C@@H](C)C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000560504021 944239509 /nfs/dbraw/zinc/23/95/09/944239509.db2.gz YYNBXPQVWWJESE-JTQLQIEISA-N -1 1 414.683 4.361 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000560584462 944263281 /nfs/dbraw/zinc/26/32/81/944263281.db2.gz FXXFLQUACHVQHY-UHFFFAOYSA-N -1 1 410.493 4.095 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000561091095 944443985 /nfs/dbraw/zinc/44/39/85/944443985.db2.gz WPUFBJCTVYOLHB-UHFFFAOYSA-N -1 1 409.511 4.461 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc4ccccn4n3)cc2)cc1C ZINC000561152793 944485106 /nfs/dbraw/zinc/48/51/06/944485106.db2.gz GTZXFKWGISACHA-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(N(C)C)c(F)c3)n2)cc(Br)c1[O-] ZINC000561645435 944724508 /nfs/dbraw/zinc/72/45/08/944724508.db2.gz FWQNJMXXXBLADQ-UHFFFAOYSA-N -1 1 422.254 4.476 20 0 HIADMM Cc1ccc([C@@H](c2noc(Cc3c(C)nc(-c4ccncc4)[n-]c3=O)n2)C(C)C)cc1 ZINC000564280422 945492722 /nfs/dbraw/zinc/49/27/22/945492722.db2.gz CWRMWOVCGBXVAI-NRFANRHFSA-N -1 1 415.497 4.210 20 0 HIADMM CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1csc(-c2cc(F)ccc2F)n1 ZINC000564406828 945560483 /nfs/dbraw/zinc/56/04/83/945560483.db2.gz NQJNVQHMCHEXPL-UHFFFAOYSA-N -1 1 417.363 4.142 20 0 HIADMM CCOc1cc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)cc(Cl)c1[O-] ZINC000564609340 945703212 /nfs/dbraw/zinc/70/32/12/945703212.db2.gz VRMQLQDDIOAOFA-UHFFFAOYSA-N -1 1 413.905 4.301 20 0 HIADMM CC(C)c1ccc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc1 ZINC000565510917 945843084 /nfs/dbraw/zinc/84/30/84/945843084.db2.gz KRGFMMKSSIEVHM-UHFFFAOYSA-N -1 1 423.538 4.278 20 0 HIADMM COc1cc(-c2noc(Cc3cn(C)c4ccccc34)n2)cc(Br)c1[O-] ZINC000565768550 945880800 /nfs/dbraw/zinc/88/08/00/945880800.db2.gz RTCJZMZMDHQPSJ-UHFFFAOYSA-N -1 1 414.259 4.296 20 0 HIADMM CN1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)[C@@H]1c1cccs1 ZINC000566519186 946026293 /nfs/dbraw/zinc/02/62/93/946026293.db2.gz LEOFRKYNPPXIFL-MEDUHNTESA-N -1 1 420.934 4.041 20 0 HIADMM CN1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)[C@H]1c1cccs1 ZINC000566519187 946026883 /nfs/dbraw/zinc/02/68/83/946026883.db2.gz LEOFRKYNPPXIFL-ZBEGNZNMSA-N -1 1 420.934 4.041 20 0 HIADMM COc1ccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c(Cl)c1 ZINC000566525623 946030808 /nfs/dbraw/zinc/03/08/08/946030808.db2.gz UJKILXTYIPHRAR-INIZCTEOSA-N -1 1 418.824 4.412 20 0 HIADMM Cc1cccc(N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000567024446 946219215 /nfs/dbraw/zinc/21/92/15/946219215.db2.gz PDLPHBNFPNPBBH-UHFFFAOYSA-N -1 1 415.902 4.121 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H]1C[C@H]1c1ccccc1 ZINC000568147478 946481873 /nfs/dbraw/zinc/48/18/73/946481873.db2.gz GMWGTXGKMCZMTA-SFTDATJTSA-N -1 1 407.495 4.165 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc(S(=O)(=O)C(C)C)c3)n2)cc(Cl)c1[O-] ZINC000568679926 946651474 /nfs/dbraw/zinc/65/14/74/946651474.db2.gz WZBMBANRXSRRJI-UHFFFAOYSA-N -1 1 422.890 4.343 20 0 HIADMM Cc1nc(-c2noc(-c3cccc([N-]S(=O)(=O)c4cc(C)ccc4C)c3)n2)co1 ZINC000569172136 946831761 /nfs/dbraw/zinc/83/17/61/946831761.db2.gz QYMUTWCQXDVGGE-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)c1 ZINC000569178329 946833621 /nfs/dbraw/zinc/83/36/21/946833621.db2.gz POMNOQUEPYIKHM-UHFFFAOYSA-N -1 1 405.850 4.240 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000569511418 946883339 /nfs/dbraw/zinc/88/33/39/946883339.db2.gz FYVKIJDGKWDHQY-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(F)c2ccccc21 ZINC000570544377 947284491 /nfs/dbraw/zinc/28/44/91/947284491.db2.gz NMXIDOANHWOCBC-ZDUSSCGKSA-N -1 1 418.490 4.140 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000570554899 947293423 /nfs/dbraw/zinc/29/34/23/947293423.db2.gz KPMUEDBIWRSQPU-OAHLLOKOSA-N -1 1 411.804 4.207 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c1 ZINC000571099588 947498707 /nfs/dbraw/zinc/49/87/07/947498707.db2.gz ZSODLWIBPBFCRC-UHFFFAOYSA-N -1 1 409.813 4.228 20 0 HIADMM Cc1cccc([C@H]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c2ccccn2)c1 ZINC000571390693 947633629 /nfs/dbraw/zinc/63/36/29/947633629.db2.gz PVLRXPISAUFRES-SFHVURJKSA-N -1 1 408.857 4.390 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)c1 ZINC000572556233 947945591 /nfs/dbraw/zinc/94/55/91/947945591.db2.gz DHMBZNCFFUWDEL-UHFFFAOYSA-N -1 1 410.495 4.372 20 0 HIADMM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1c(F)cccc1OC(F)(F)F ZINC000574301607 948406527 /nfs/dbraw/zinc/40/65/27/948406527.db2.gz HABYPNUFAFZKBE-INIZCTEOSA-N -1 1 415.364 4.385 20 0 HIADMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000574445842 948445623 /nfs/dbraw/zinc/44/56/23/948445623.db2.gz UCZOBJXUBQUATR-PSASIEDQSA-N -1 1 403.198 4.116 20 0 HIADMM CCc1ocnc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000574558813 948471946 /nfs/dbraw/zinc/47/19/46/948471946.db2.gz ATMWZEUZWDJGKA-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM CC(C)(C)CCS(=O)(=O)Nc1cc([O-])c(Br)cc1Br ZINC000574557826 948472665 /nfs/dbraw/zinc/47/26/65/948472665.db2.gz NBOZPYXGSJOQNS-UHFFFAOYSA-N -1 1 415.147 4.095 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(C)C)no3)cc2)c(C)c1F ZINC000574929468 948553414 /nfs/dbraw/zinc/55/34/14/948553414.db2.gz FQKOXMJOFQNDQG-UHFFFAOYSA-N -1 1 419.478 4.041 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cccc(OCC(F)F)n1 ZINC000574932497 948554871 /nfs/dbraw/zinc/55/48/71/948554871.db2.gz WJBDIHDXNXYEJR-UHFFFAOYSA-N -1 1 407.598 4.099 20 0 HIADMM NC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC000574945767 948561817 /nfs/dbraw/zinc/56/18/17/948561817.db2.gz ZKLICYFBOKXGRJ-UHFFFAOYSA-N -1 1 417.874 4.424 20 0 HIADMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)cccc21 ZINC000575495228 948674947 /nfs/dbraw/zinc/67/49/47/948674947.db2.gz ICWCKSUHGLVMBH-OAHLLOKOSA-N -1 1 401.315 4.179 20 0 HIADMM C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000575981719 948807500 /nfs/dbraw/zinc/80/75/00/948807500.db2.gz JKFCHTXXRLPWCB-CQSZACIVSA-N -1 1 415.415 4.310 20 0 HIADMM CC(C)[C@@H]1CCCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000435971990 861233631 /nfs/dbraw/zinc/23/36/31/861233631.db2.gz KILQOSQBYFFKDE-LJQANCHMSA-N -1 1 415.559 4.065 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c(Cl)c1 ZINC000436025331 861319829 /nfs/dbraw/zinc/31/98/29/861319829.db2.gz GCPSRRKDEDADSP-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)c2)cc1F ZINC000436043606 861333215 /nfs/dbraw/zinc/33/32/15/861333215.db2.gz KRIGKKFCPZEFMB-RBBKRZOGSA-N -1 1 424.497 4.221 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1Br ZINC000436154054 861453641 /nfs/dbraw/zinc/45/36/41/861453641.db2.gz MQXIQHNBPFGXOR-UHFFFAOYSA-N -1 1 406.248 4.370 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000436204070 861505533 /nfs/dbraw/zinc/50/55/33/861505533.db2.gz AIKDVONLASOVFG-HNNXBMFYSA-N -1 1 411.449 4.047 20 0 HIADMM [O-]c1c(Br)cc(C=NN=c2[nH]c3ccccc3[nH]2)cc1Br ZINC000005646894 845132806 /nfs/dbraw/zinc/13/28/06/845132806.db2.gz YWSBCYUIYHNUDL-UHFFFAOYSA-N -1 1 410.069 4.240 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2)c1C ZINC000006178229 845181545 /nfs/dbraw/zinc/18/15/45/845181545.db2.gz CFFILMUPDFNLHR-JXFKEZNVSA-N -1 1 400.544 4.413 20 0 HIADMM COc1ccc(C(=O)[N-]C(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000006507815 845205296 /nfs/dbraw/zinc/20/52/96/845205296.db2.gz HYPNFXBFUNYCBX-UHFFFAOYSA-N -1 1 403.809 4.416 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)c(C)c1C ZINC000006919637 845225023 /nfs/dbraw/zinc/22/50/23/845225023.db2.gz SJVFJDKIKSJKFO-UHFFFAOYSA-N -1 1 417.499 4.026 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)cc1F ZINC000006920338 845225079 /nfs/dbraw/zinc/22/50/79/845225079.db2.gz ACKQOGIPIIMXCR-INIZCTEOSA-N -1 1 412.486 4.426 20 0 HIADMM Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000436238014 861545884 /nfs/dbraw/zinc/54/58/84/861545884.db2.gz CEJXSMXAUXOTCX-UHFFFAOYSA-N -1 1 407.455 4.365 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1OCC ZINC000007050927 845243015 /nfs/dbraw/zinc/24/30/15/845243015.db2.gz FHIBSNVAJZSFMF-UHFFFAOYSA-N -1 1 414.321 4.356 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3C)c2)cc1F ZINC000007109179 845254746 /nfs/dbraw/zinc/25/47/46/845254746.db2.gz KVJYXTMTZMGSKU-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000007180359 845273660 /nfs/dbraw/zinc/27/36/60/845273660.db2.gz NHGBWOTUXIUYMN-CQSZACIVSA-N -1 1 415.902 4.027 20 0 HIADMM CCc1ccc(NC(=O)c2nnc(CSc3nc(C4CC4)cc(=O)[n-]3)s2)cc1 ZINC000436253380 861564927 /nfs/dbraw/zinc/56/49/27/861564927.db2.gz PDUROXCBRCRBQT-UHFFFAOYSA-N -1 1 413.528 4.018 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000008033293 845464714 /nfs/dbraw/zinc/46/47/14/845464714.db2.gz QMEXATBNBXCMGA-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c1 ZINC000009223923 845564789 /nfs/dbraw/zinc/56/47/89/845564789.db2.gz FXNIVXDOAGUNSF-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCOc2ccc(C)cc2C)c1 ZINC000009888617 845599583 /nfs/dbraw/zinc/59/95/83/845599583.db2.gz TXYBQYUZBVCAIO-UHFFFAOYSA-N -1 1 410.543 4.118 20 0 HIADMM Cc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000010555197 845674410 /nfs/dbraw/zinc/67/44/10/845674410.db2.gz JXFJXXFMBMTPOA-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CC(C)c1csc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000010639287 845683483 /nfs/dbraw/zinc/68/34/83/845683483.db2.gz ORFVXRLAMYPHOG-UHFFFAOYSA-N -1 1 419.503 4.459 20 0 HIADMM Cc1nc2ccc(NC(=O)CCCCCn3c(=O)c4ccccc4[n-]c3=S)cc2[nH]1 ZINC000010896604 845723890 /nfs/dbraw/zinc/72/38/90/845723890.db2.gz KHMAOAZWOZBBHN-UHFFFAOYSA-N -1 1 421.526 4.443 20 0 HIADMM CCc1cc2c(COC(=O)/C=C/c3ccc(Br)o3)cc(=O)oc2cc1[O-] ZINC000011194215 845764945 /nfs/dbraw/zinc/76/49/45/845764945.db2.gz DOGLRRVXNDSAOP-GQCTYLIASA-N -1 1 419.227 4.173 20 0 HIADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1 ZINC000011443555 845796642 /nfs/dbraw/zinc/79/66/42/845796642.db2.gz LISCNPLBFZPUJJ-UHFFFAOYSA-N -1 1 403.838 4.120 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1F ZINC000012488541 845875343 /nfs/dbraw/zinc/87/53/43/845875343.db2.gz FDDRCTQCFIYNGT-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3OC)ccc21 ZINC000013358790 845915337 /nfs/dbraw/zinc/91/53/37/845915337.db2.gz IPTUGUXYOJXYCU-UHFFFAOYSA-N -1 1 424.478 4.322 20 0 HIADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1 ZINC000014097548 845924821 /nfs/dbraw/zinc/92/48/21/845924821.db2.gz HMILJMKJRIOXRO-UHFFFAOYSA-N -1 1 409.573 4.195 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)c(=O)[n-]1 ZINC000014349997 845939688 /nfs/dbraw/zinc/93/96/88/845939688.db2.gz FKTQBCDMYHOBEA-UHFFFAOYSA-N -1 1 409.511 4.472 20 0 HIADMM O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015344836 846038204 /nfs/dbraw/zinc/03/82/04/846038204.db2.gz BPXWEAZYNPPFDZ-UHFFFAOYSA-N -1 1 414.914 4.113 20 0 HIADMM CC(C)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000015499753 846054084 /nfs/dbraw/zinc/05/40/84/846054084.db2.gz SDUHVHBJKUDQHI-UHFFFAOYSA-N -1 1 414.449 4.282 20 0 HIADMM Cc1ccc(F)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000015544803 846061524 /nfs/dbraw/zinc/06/15/24/846061524.db2.gz HBPMLKRCCWTPLT-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)ccc1F ZINC000015563615 846063076 /nfs/dbraw/zinc/06/30/76/846063076.db2.gz DFYXZSYLAIHHQS-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM O=C(Nc1ccc(F)c(F)c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000015588556 846068183 /nfs/dbraw/zinc/06/81/83/846068183.db2.gz LTZJFJCUJNRHAA-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CCC(CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000015615436 846074183 /nfs/dbraw/zinc/07/41/83/846074183.db2.gz GJIWMPSUZMBWEX-UHFFFAOYSA-N -1 1 414.449 4.425 20 0 HIADMM CC(C)=CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000015891965 846101908 /nfs/dbraw/zinc/10/19/08/846101908.db2.gz YHXSUAZEHQFGGC-UHFFFAOYSA-N -1 1 409.305 4.155 20 0 HIADMM COc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000015924092 846103922 /nfs/dbraw/zinc/10/39/22/846103922.db2.gz YTFIBWRRWZUHCP-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM O=C([N-]NC(=S)Nc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)[nH]n1 ZINC000016187247 846135264 /nfs/dbraw/zinc/13/52/64/846135264.db2.gz UZEUTNDFSGSLLV-UHFFFAOYSA-N -1 1 406.298 4.015 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000017064360 846228498 /nfs/dbraw/zinc/22/84/98/846228498.db2.gz PBUBGELFXWSPOO-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)c1 ZINC000017301806 846241518 /nfs/dbraw/zinc/24/15/18/846241518.db2.gz VZFIQKLOJPFFNG-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000017304267 846243462 /nfs/dbraw/zinc/24/34/62/846243462.db2.gz VVVOCNLPJFTKBB-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000017356963 846249406 /nfs/dbraw/zinc/24/94/06/846249406.db2.gz CBHHNGADVJGKJJ-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(Cc2ccncc2)cc1 ZINC000017447024 846253682 /nfs/dbraw/zinc/25/36/82/846253682.db2.gz XLZMXORZSOMWTD-UHFFFAOYSA-N -1 1 407.524 4.294 20 0 HIADMM C[C@H](NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)c1ccc(Br)cc1 ZINC000017961517 846281470 /nfs/dbraw/zinc/28/14/70/846281470.db2.gz NCJHTFWWDIQTFB-JTQLQIEISA-N -1 1 423.361 4.309 20 0 HIADMM CN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000018081004 846292634 /nfs/dbraw/zinc/29/26/34/846292634.db2.gz ITMUVAHEIIYFGK-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM O=C(Nc1cccc2cnccc21)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000021218660 846418710 /nfs/dbraw/zinc/41/87/10/846418710.db2.gz XLXDCPNNLAORKV-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM O=C(Nc1cccc2cnccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000021218680 846418911 /nfs/dbraw/zinc/41/89/11/846418911.db2.gz KRDXFOKZLZTCHK-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CCC(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000021283406 846424045 /nfs/dbraw/zinc/42/40/45/846424045.db2.gz QUFVXTUJJGZRJJ-UHFFFAOYSA-N -1 1 421.950 4.480 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCc4ccccc43)c2)c1 ZINC000021278459 846424120 /nfs/dbraw/zinc/42/41/20/846424120.db2.gz UOQLXTFKIUFHCY-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000021784765 846494727 /nfs/dbraw/zinc/49/47/27/846494727.db2.gz MVBKQWJUTVTDBN-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3ccccc3C(F)(F)F)s2)cc1 ZINC000021864119 846504694 /nfs/dbraw/zinc/50/46/94/846504694.db2.gz KAWIKOIKQOPWIP-OAHLLOKOSA-N -1 1 423.416 4.153 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000022192503 846543644 /nfs/dbraw/zinc/54/36/44/846543644.db2.gz COHJXTDNEKMZQZ-VIFPVBQESA-N -1 1 400.331 4.329 20 0 HIADMM CCCn1c2ccc(Cl)cc2nc1SCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000022458459 846573453 /nfs/dbraw/zinc/57/34/53/846573453.db2.gz CZOQIFOBKZFPSP-UHFFFAOYSA-N -1 1 417.918 4.157 20 0 HIADMM O=C(NCCC1=CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000022651282 846597912 /nfs/dbraw/zinc/59/79/12/846597912.db2.gz LEVGBNBHKLGTBX-UHFFFAOYSA-N -1 1 420.481 4.386 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)cc1 ZINC000022758884 846615874 /nfs/dbraw/zinc/61/58/74/846615874.db2.gz RZYFWKDSSDVLNU-UHFFFAOYSA-N -1 1 420.897 4.265 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2C)c(C)s1 ZINC000024434238 846823135 /nfs/dbraw/zinc/82/31/35/846823135.db2.gz YCAJEYCRKNHTRC-UHFFFAOYSA-N -1 1 416.572 4.459 20 0 HIADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000024957713 846895862 /nfs/dbraw/zinc/89/58/62/846895862.db2.gz PIMBFQCKECZMAU-UHFFFAOYSA-N -1 1 403.500 4.087 20 0 HIADMM O=C(Nc1nc(C2CC2)cs1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000025562156 847002904 /nfs/dbraw/zinc/00/29/04/847002904.db2.gz QIOJBVXIXNKITR-UHFFFAOYSA-N -1 1 417.487 4.213 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000025673010 847018336 /nfs/dbraw/zinc/01/83/36/847018336.db2.gz FSVHBEFLKJHQCQ-UHFFFAOYSA-N -1 1 404.495 4.291 20 0 HIADMM Cc1ccsc1CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000025718143 847025959 /nfs/dbraw/zinc/02/59/59/847025959.db2.gz JCVUNSBCMIYKFM-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM Cc1ccsc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000025718605 847026049 /nfs/dbraw/zinc/02/60/49/847026049.db2.gz SEMHWQWOBPTGHK-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000025741615 847029061 /nfs/dbraw/zinc/02/90/61/847029061.db2.gz CNHKRNXWYLTZCH-UHFFFAOYSA-N -1 1 411.867 4.034 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2s1 ZINC000025741807 847029246 /nfs/dbraw/zinc/02/92/46/847029246.db2.gz FQGWPLRBXMODKV-UHFFFAOYSA-N -1 1 403.529 4.390 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3ccc(OC(C)C)cc3)n2)n[n-]c1=S ZINC000026043714 847076365 /nfs/dbraw/zinc/07/63/65/847076365.db2.gz BXMSRGWTGAVOQE-UHFFFAOYSA-N -1 1 415.544 4.213 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3csc4c3CCCC4)n2)n[n-]c1=S ZINC000026043171 847076432 /nfs/dbraw/zinc/07/64/32/847076432.db2.gz KUNHJBMIPPYJJN-UHFFFAOYSA-N -1 1 417.585 4.367 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3Br)cc2)n1 ZINC000026538696 847166122 /nfs/dbraw/zinc/16/61/22/847166122.db2.gz KRVLDPPQMVPOBR-UHFFFAOYSA-N -1 1 420.332 4.361 20 0 HIADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000027707486 847343148 /nfs/dbraw/zinc/34/31/48/847343148.db2.gz KNQNEUXBXQXHAW-IERDGZPVSA-N -1 1 416.543 4.195 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)c1 ZINC000028240197 847398673 /nfs/dbraw/zinc/39/86/73/847398673.db2.gz ISDFQAKWQRWUQM-UHFFFAOYSA-N -1 1 409.554 4.061 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c(F)c1 ZINC000028323170 847405892 /nfs/dbraw/zinc/40/58/92/847405892.db2.gz MEPIHBLHZWYTCC-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM O=C(Cc1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000028492374 847427611 /nfs/dbraw/zinc/42/76/11/847427611.db2.gz LCDVUFRGVPDBHK-UHFFFAOYSA-N -1 1 400.887 4.322 20 0 HIADMM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1 ZINC000028687416 847448469 /nfs/dbraw/zinc/44/84/69/847448469.db2.gz DORCLUVLRYNVFX-UHFFFAOYSA-N -1 1 400.544 4.294 20 0 HIADMM Cc1ccc2nc(-c3ccc(NC(=O)Cc4sc(N(C)C)nc4[O-])cc3)sc2c1 ZINC000028757288 847457071 /nfs/dbraw/zinc/45/70/71/847457071.db2.gz TXGPTALKYZLLJU-QGZVFWFLSA-N -1 1 424.551 4.160 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC2CCCCC2)c1 ZINC000028927855 847479720 /nfs/dbraw/zinc/47/97/20/847479720.db2.gz QTKNJIBYNZGFIE-UHFFFAOYSA-N -1 1 400.544 4.414 20 0 HIADMM Cc1ccsc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000029234877 847528639 /nfs/dbraw/zinc/52/86/39/847528639.db2.gz HLMRLTZVQHRLMN-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM CN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000029289355 847540659 /nfs/dbraw/zinc/54/06/59/847540659.db2.gz MZXHMLJMICHUAR-UHFFFAOYSA-N -1 1 404.507 4.279 20 0 HIADMM CN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000029289433 847540799 /nfs/dbraw/zinc/54/07/99/847540799.db2.gz UDNHSIHNIDQMKS-UHFFFAOYSA-N -1 1 404.507 4.279 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc4c[nH]nc43)ccc2C)c1 ZINC000029713559 847606631 /nfs/dbraw/zinc/60/66/31/847606631.db2.gz CAHNNBVVUJSKMY-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CC(C)(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000029893420 847643116 /nfs/dbraw/zinc/64/31/16/847643116.db2.gz ZFWVBSMQFCZPES-UHFFFAOYSA-N -1 1 400.422 4.491 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[C@H](C)C3)cc2)c1C ZINC000030016599 847671343 /nfs/dbraw/zinc/67/13/43/847671343.db2.gz NDBPDOFDGXEISO-KXBFYZLASA-N -1 1 400.544 4.413 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCCC[C@H]3C)c2)cc1 ZINC000030381981 847709858 /nfs/dbraw/zinc/70/98/58/847709858.db2.gz PIUKRQKIAZYEKP-DYESRHJHSA-N -1 1 400.544 4.447 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)C(C)(C)C)c2)cc1 ZINC000030424366 847714119 /nfs/dbraw/zinc/71/41/19/847714119.db2.gz KCRZZGYAJMACQS-MRXNPFEDSA-N -1 1 418.559 4.393 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc2)cc1 ZINC000030424617 847714886 /nfs/dbraw/zinc/71/48/86/847714886.db2.gz ZBVHIGISELYISN-INIZCTEOSA-N -1 1 418.559 4.393 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)o1 ZINC000030566523 847738725 /nfs/dbraw/zinc/73/87/25/847738725.db2.gz JRUOMIMVPZNQCY-UHFFFAOYSA-N -1 1 416.524 4.208 20 0 HIADMM O=C(NNc1cccc(Cl)c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000030569380 847738915 /nfs/dbraw/zinc/73/89/15/847738915.db2.gz OROQFSMILOXYDF-UHFFFAOYSA-N -1 1 419.865 4.037 20 0 HIADMM O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000030598001 847743224 /nfs/dbraw/zinc/74/32/24/847743224.db2.gz SHSIKOSXYTUZKP-UHFFFAOYSA-N -1 1 407.175 4.243 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)c1 ZINC000436503815 861827282 /nfs/dbraw/zinc/82/72/82/861827282.db2.gz LBMGWYZPCPQEBB-UHFFFAOYSA-N -1 1 413.861 4.394 20 0 HIADMM CCCN(C(=O)c1cc(Br)ccc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436511125 861830495 /nfs/dbraw/zinc/83/04/95/861830495.db2.gz HTZQMHADFDPHPP-AWEZNQCLSA-N -1 1 419.319 4.424 20 0 HIADMM C[C@H]1Cc2ccccc2N1C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000030996669 847806834 /nfs/dbraw/zinc/80/68/34/847806834.db2.gz HEQMLELNTDDOOS-INIZCTEOSA-N -1 1 424.497 4.147 20 0 HIADMM CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436530112 861837012 /nfs/dbraw/zinc/83/70/12/861837012.db2.gz DALNVIWHODCWOW-OAHLLOKOSA-N -1 1 405.878 4.137 20 0 HIADMM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436536328 861840583 /nfs/dbraw/zinc/84/05/83/861840583.db2.gz BBIVLEJFNHROAY-UHFFFAOYSA-N -1 1 412.534 4.030 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)cc1OC ZINC000031535047 847902064 /nfs/dbraw/zinc/90/20/64/847902064.db2.gz VWFQLDJDGNFYKB-UHFFFAOYSA-N -1 1 410.495 4.199 20 0 HIADMM COC(=O)c1occc1CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C)c1ccccn1 ZINC000436539092 861842523 /nfs/dbraw/zinc/84/25/23/861842523.db2.gz XTLWWOZECJVIMH-ZDUSSCGKSA-N -1 1 414.845 4.224 20 0 HIADMM Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436541556 861843531 /nfs/dbraw/zinc/84/35/31/861843531.db2.gz YJASZXNVEXIJCE-UHFFFAOYSA-N -1 1 406.507 4.295 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000031681572 847929021 /nfs/dbraw/zinc/92/90/21/847929021.db2.gz UJBXSFWQOUFAIM-OAHLLOKOSA-N -1 1 406.935 4.403 20 0 HIADMM COc1cc(CNC(=O)c2cc3ccccc3cc2[O-])ccc1OCc1cccnc1 ZINC000031712131 847935544 /nfs/dbraw/zinc/93/55/44/847935544.db2.gz QXZFQHGVAZLVFB-UHFFFAOYSA-N -1 1 414.461 4.458 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1C(F)(F)F)c1cccc(Cl)c1 ZINC000031722398 847937850 /nfs/dbraw/zinc/93/78/50/847937850.db2.gz KFCLDMLKUFFJCI-UHFFFAOYSA-N -1 1 401.797 4.345 20 0 HIADMM CC[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436548631 861846743 /nfs/dbraw/zinc/84/67/43/861846743.db2.gz VQAMIPCKEWJTTB-INIZCTEOSA-N -1 1 417.303 4.422 20 0 HIADMM COCCCN(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436548173 861847064 /nfs/dbraw/zinc/84/70/64/861847064.db2.gz PQZLNCGUTYXWBM-UHFFFAOYSA-N -1 1 411.285 4.060 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2cccc3cccnc32)c1 ZINC000032064760 847984021 /nfs/dbraw/zinc/98/40/21/847984021.db2.gz ZVALDOVECRXEQL-UHFFFAOYSA-N -1 1 417.538 4.213 20 0 HIADMM CCCOC(=O)c1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000032060805 847984034 /nfs/dbraw/zinc/98/40/34/847984034.db2.gz GVXMVOKVNQJJPX-UHFFFAOYSA-N -1 1 410.499 4.122 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc4c(c3)CCO4)ccc2C)c1 ZINC000032062514 847984249 /nfs/dbraw/zinc/98/42/49/847984249.db2.gz IVKUHLFKHKNQCF-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM CCC(CC)CN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000032263121 847995903 /nfs/dbraw/zinc/99/59/03/847995903.db2.gz SGMPYDRIZDQCDI-UHFFFAOYSA-N -1 1 418.559 4.394 20 0 HIADMM COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c(C)c1 ZINC000436569529 861855057 /nfs/dbraw/zinc/85/50/57/861855057.db2.gz FPOCCXYSWINNGV-UHFFFAOYSA-N -1 1 412.392 4.492 20 0 HIADMM C[C@H]1OCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])[C@@H]1C ZINC000436597092 861862882 /nfs/dbraw/zinc/86/28/82/861862882.db2.gz OZLIFJBMMWOLTO-VXGBXAGGSA-N -1 1 423.296 4.201 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3C3CCC3)c([O-])c2)c1 ZINC000436570514 861856003 /nfs/dbraw/zinc/85/60/03/861856003.db2.gz REHQRTYEXPBFBT-NRFANRHFSA-N -1 1 424.497 4.066 20 0 HIADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436580824 861858832 /nfs/dbraw/zinc/85/88/32/861858832.db2.gz XOLKOKSAGUFSBN-CHWSQXEVSA-N -1 1 417.303 4.420 20 0 HIADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1c(F)cccc1F ZINC000436581123 861858905 /nfs/dbraw/zinc/85/89/05/861858905.db2.gz IPUIRRRLMSZPMA-XOBRGWDASA-N -1 1 424.447 4.306 20 0 HIADMM Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC000436578173 861858923 /nfs/dbraw/zinc/85/89/23/861858923.db2.gz QOIHYZRWXGUOER-UHFFFAOYSA-N -1 1 402.494 4.022 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c2ccccc12 ZINC000032586226 848050128 /nfs/dbraw/zinc/05/01/28/848050128.db2.gz ZSEJTEIMWQBXCU-UHFFFAOYSA-N -1 1 404.419 4.475 20 0 HIADMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)c1 ZINC000032591634 848050807 /nfs/dbraw/zinc/05/08/07/848050807.db2.gz TVLQGLGAXKOULI-UHFFFAOYSA-N -1 1 412.511 4.096 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)cc1F ZINC000032589772 848051492 /nfs/dbraw/zinc/05/14/92/848051492.db2.gz CRIPKDNSCRFOTO-UHFFFAOYSA-N -1 1 415.446 4.279 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1Cl ZINC000032627848 848055193 /nfs/dbraw/zinc/05/51/93/848055193.db2.gz SLZOESQLBXPTQV-UHFFFAOYSA-N -1 1 419.305 4.415 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)cc1 ZINC000032631336 848056738 /nfs/dbraw/zinc/05/67/38/848056738.db2.gz BBHIVUZVBDRDAN-JOCHJYFZSA-N -1 1 420.490 4.320 20 0 HIADMM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000032631391 848057143 /nfs/dbraw/zinc/05/71/43/848057143.db2.gz HLEQYEUYAQWTFS-NRFANRHFSA-N -1 1 420.490 4.304 20 0 HIADMM COc1cc(NC2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc(OC)c1 ZINC000436587937 861861714 /nfs/dbraw/zinc/86/17/14/861861714.db2.gz YDJZTVMYRORRHB-UHFFFAOYSA-N -1 1 406.482 4.279 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2ccncc2)c([O-])c1)c1cccc(Br)c1 ZINC000032742651 848070552 /nfs/dbraw/zinc/07/05/52/848070552.db2.gz YDKIOUOQJTWYAE-UHFFFAOYSA-N -1 1 412.243 4.054 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436600129 861864418 /nfs/dbraw/zinc/86/44/18/861864418.db2.gz CWHVBNZAGIBIRT-UHFFFAOYSA-N -1 1 403.410 4.194 20 0 HIADMM Cc1ccccc1CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436601306 861864801 /nfs/dbraw/zinc/86/48/01/861864801.db2.gz JRJSJOZSEWWDJB-QFIPXVFZSA-N -1 1 402.494 4.117 20 0 HIADMM CCc1noc(C)c1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436601035 861865241 /nfs/dbraw/zinc/86/52/41/861865241.db2.gz AOFMQMWMJAJJEG-UHFFFAOYSA-N -1 1 401.369 4.034 20 0 HIADMM O=C(NCc1ccccc1Cl)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436601309 861865262 /nfs/dbraw/zinc/86/52/62/861865262.db2.gz JSDYHYBQDYLILY-HXUWFJFHSA-N -1 1 408.885 4.120 20 0 HIADMM O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436603672 861866064 /nfs/dbraw/zinc/86/60/64/861866064.db2.gz MMEMNQSTCNJDAS-NRFANRHFSA-N -1 1 422.912 4.162 20 0 HIADMM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000033042335 848102711 /nfs/dbraw/zinc/10/27/11/848102711.db2.gz DIQLILSDLSUYIX-UHFFFAOYSA-N -1 1 424.538 4.328 20 0 HIADMM COc1cc(NC(=O)c2ccccc2CCc2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000033070204 848104915 /nfs/dbraw/zinc/10/49/15/848104915.db2.gz LPBUBCUSYVDCRD-UHFFFAOYSA-N -1 1 424.522 4.104 20 0 HIADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000033097974 848108596 /nfs/dbraw/zinc/10/85/96/848108596.db2.gz VFOVZJFKSZDYJF-RHSMWYFYSA-N -1 1 422.497 4.416 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N(C)C)cc1 ZINC000033122086 848111186 /nfs/dbraw/zinc/11/11/86/848111186.db2.gz ZDEWNHYLSCOIQY-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N(CCO)Cc1ccc(Br)s1 ZINC000436607036 861867320 /nfs/dbraw/zinc/86/73/20/861867320.db2.gz NUGBKPUDPMZRAL-UHFFFAOYSA-N -1 1 406.301 4.004 20 0 HIADMM CCc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C(C)C)cc1 ZINC000033159884 848116479 /nfs/dbraw/zinc/11/64/79/848116479.db2.gz LCKGVZQWVKTINY-LJQANCHMSA-N -1 1 406.548 4.046 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)Cc3ccco3)c2)c1 ZINC000033206794 848125121 /nfs/dbraw/zinc/12/51/21/848125121.db2.gz MBPSOLSSMHAEGW-KRWDZBQOSA-N -1 1 412.511 4.058 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)Cc3ccco3)c2)c1 ZINC000033207920 848125249 /nfs/dbraw/zinc/12/52/49/848125249.db2.gz BCZQOVGFCWJMQK-KRWDZBQOSA-N -1 1 412.511 4.058 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436608676 861868683 /nfs/dbraw/zinc/86/86/83/861868683.db2.gz VAFWWACTSROYSR-OAQYLSRUSA-N -1 1 423.419 4.199 20 0 HIADMM C[C@@H](c1cccs1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000033235278 848131074 /nfs/dbraw/zinc/13/10/74/848131074.db2.gz MSTRRKYWEKGFCW-HNNXBMFYSA-N -1 1 400.525 4.382 20 0 HIADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000033559909 848136669 /nfs/dbraw/zinc/13/66/69/848136669.db2.gz QLXWHLARUXLYLQ-UHFFFAOYSA-N -1 1 413.339 4.326 20 0 HIADMM COc1ccc(/C=C\C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000033760706 848139226 /nfs/dbraw/zinc/13/92/26/848139226.db2.gz FVEAVQXFDIHDSJ-SXGWCWSVSA-N -1 1 408.479 4.148 20 0 HIADMM CC[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436622389 861873377 /nfs/dbraw/zinc/87/33/77/861873377.db2.gz ZBROMNLSDWFUTD-JPYJTQIMSA-N -1 1 416.521 4.460 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC000039973413 848196769 /nfs/dbraw/zinc/19/67/69/848196769.db2.gz TVOKJOXTNAIOGF-UHFFFAOYSA-N -1 1 400.544 4.358 20 0 HIADMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(N4CCNC4=O)cc3)n2)cc1 ZINC000041512291 848223450 /nfs/dbraw/zinc/22/34/50/848223450.db2.gz MDTRKFXSCSJMDO-GOSISDBHSA-N -1 1 402.479 4.138 20 0 HIADMM CO[C@@H](CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])C1CC1 ZINC000436656367 861884019 /nfs/dbraw/zinc/88/40/19/861884019.db2.gz ILWKLUWEZWZNND-SFHVURJKSA-N -1 1 423.296 4.106 20 0 HIADMM O=C(Nc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1F)c1cccc(Cl)c1 ZINC000436686718 861894006 /nfs/dbraw/zinc/89/40/06/861894006.db2.gz HWGGLUYRQPCYTN-UHFFFAOYSA-N -1 1 400.793 4.395 20 0 HIADMM C[C@]12CCN(C(=O)c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])C[C@H]1C2(F)F ZINC000436673723 861890223 /nfs/dbraw/zinc/89/02/23/861890223.db2.gz GGZVOSDIIGJNCD-XLIONFOSSA-N -1 1 422.378 4.040 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000436675580 861890726 /nfs/dbraw/zinc/89/07/26/861890726.db2.gz LGQXWUWHYOXVHH-GJZUVCINSA-N -1 1 418.537 4.499 20 0 HIADMM [O-]c1ccc(-c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)c(F)c1 ZINC000436685822 861893680 /nfs/dbraw/zinc/89/36/80/861893680.db2.gz CAWFCZLWXZHDRV-UHFFFAOYSA-N -1 1 421.222 4.096 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccsc3)c2)c1 ZINC000042970754 848369098 /nfs/dbraw/zinc/36/90/98/848369098.db2.gz NOLDDYLUBMFBEG-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM O=C([N-]c1nnc(SCc2c(Cl)cccc2Cl)s1)c1ccc[n+]([O-])c1 ZINC000043005240 848375454 /nfs/dbraw/zinc/37/54/54/848375454.db2.gz KAKJGTLPAKHCSW-UHFFFAOYSA-N -1 1 413.311 4.407 20 0 HIADMM O=C(NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000436702618 861897507 /nfs/dbraw/zinc/89/75/07/861897507.db2.gz FVTCNTRRWIHETD-OAQYLSRUSA-N -1 1 409.869 4.303 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000436708377 861898710 /nfs/dbraw/zinc/89/87/10/861898710.db2.gz JOYZVQZRBOQNKE-UHFFFAOYSA-N -1 1 400.438 4.010 20 0 HIADMM CCOc1cc(-c2noc(C[C@@H](C)c3cccnc3)n2)cc(Br)c1[O-] ZINC000436715933 861902692 /nfs/dbraw/zinc/90/26/92/861902692.db2.gz MVHDFIVNRVKPCO-LLVKDONJSA-N -1 1 404.264 4.345 20 0 HIADMM Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)cc1 ZINC000436717507 861905214 /nfs/dbraw/zinc/90/52/14/861905214.db2.gz GOIVLUYEOHAREB-HNNXBMFYSA-N -1 1 401.894 4.028 20 0 HIADMM C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436719610 861905903 /nfs/dbraw/zinc/90/59/03/861905903.db2.gz AMFZRTZKGVWRSP-APPDUMDISA-N -1 1 410.695 4.410 20 0 HIADMM O=C(NC[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1)Nc1cccc(F)c1 ZINC000436720447 861908614 /nfs/dbraw/zinc/90/86/14/861908614.db2.gz JUXXBSFKAZDUGH-INIZCTEOSA-N -1 1 421.472 4.358 20 0 HIADMM CN(Cc1ccc(F)c(F)c1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000044543145 848568235 /nfs/dbraw/zinc/56/82/35/848568235.db2.gz ZBNQPYNNBYHUAT-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM Cc1cc(=O)c(C(=O)Nc2ccc(Cl)cc2[O-])nn1-c1ccccc1C(F)(F)F ZINC000436735981 861919429 /nfs/dbraw/zinc/91/94/29/861919429.db2.gz FCWBWVIDUHKHPU-UHFFFAOYSA-N -1 1 423.778 4.171 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2CC[C@H](F)C2)c([O-])c1)c1cccc(Br)c1 ZINC000436743006 861924566 /nfs/dbraw/zinc/92/45/66/861924566.db2.gz GJISEQFHWIUPTN-KBPBESRZSA-N -1 1 421.266 4.027 20 0 HIADMM O=C(N[C@H](c1ccco1)c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045153379 848639760 /nfs/dbraw/zinc/63/97/60/848639760.db2.gz VFCPKJQBRPJIIF-QFIPXVFZSA-N -1 1 404.466 4.379 20 0 HIADMM Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cccc1N(C)C ZINC000436743111 861927384 /nfs/dbraw/zinc/92/73/84/861927384.db2.gz WUDDPBFNFHAKJX-JOCHJYFZSA-N -1 1 417.509 4.163 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000045407392 848677079 /nfs/dbraw/zinc/67/70/79/848677079.db2.gz FCFSETXYGOEYDZ-HXUWFJFHSA-N -1 1 411.502 4.190 20 0 HIADMM COc1cc(N[C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)cc(OC)c1 ZINC000436751982 861935115 /nfs/dbraw/zinc/93/51/15/861935115.db2.gz PIPMFGNEZJRYIK-AWEZNQCLSA-N -1 1 424.419 4.145 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC[C@H]1c1ccccc1 ZINC000045853121 848740305 /nfs/dbraw/zinc/74/03/05/848740305.db2.gz BJHPIYDAROUXRM-NRFANRHFSA-N -1 1 410.470 4.214 20 0 HIADMM O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436755455 861940333 /nfs/dbraw/zinc/94/03/33/861940333.db2.gz NJXMZIVNNAWEGC-UHFFFAOYSA-N -1 1 424.884 4.373 20 0 HIADMM COc1cc(NC(=O)c2ccccc2[O-])c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000436755364 861942393 /nfs/dbraw/zinc/94/23/93/861942393.db2.gz LMYUODWLCSPRPT-GASCZTMLSA-N -1 1 412.486 4.065 20 0 HIADMM COc1ccc(CN(C)C(=O)c2ccc(Br)cc2[O-])cc1OC(F)F ZINC000436759589 861949518 /nfs/dbraw/zinc/94/95/18/861949518.db2.gz CEHWAAXZFQPWLY-UHFFFAOYSA-N -1 1 416.218 4.037 20 0 HIADMM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588396 848880659 /nfs/dbraw/zinc/88/06/59/848880659.db2.gz XZVSXDHQWDCYBC-HNNXBMFYSA-N -1 1 414.458 4.033 20 0 HIADMM O=C(CCOc1ccccc1F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588568 848881187 /nfs/dbraw/zinc/88/11/87/848881187.db2.gz APCIGBIAXFMPGB-UHFFFAOYSA-N -1 1 414.458 4.034 20 0 HIADMM CCc1ccccc1OCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611653 848885767 /nfs/dbraw/zinc/88/57/67/848885767.db2.gz ZZBSRWZXRFFXSQ-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM COc1ccccc1CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611754 848885813 /nfs/dbraw/zinc/88/58/13/848885813.db2.gz PUOIZWPUQNDCGL-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM Cc1nc(C)c(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000046612150 848886989 /nfs/dbraw/zinc/88/69/89/848886989.db2.gz SUSFXGIZAIABNX-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM N#C[C@H](C(=O)Cc1ccc2ccccc2c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707342 848915397 /nfs/dbraw/zinc/91/53/97/848915397.db2.gz AEGMPPXENMDIBQ-GOSISDBHSA-N -1 1 413.502 4.436 20 0 HIADMM N#C[C@H](C(=O)Cc1cccc2ccccc21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706932 848915536 /nfs/dbraw/zinc/91/55/36/848915536.db2.gz SFCFMBCEYQKPPP-GOSISDBHSA-N -1 1 413.502 4.436 20 0 HIADMM O=C(Cc1c(F)cccc1Cl)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046780716 848933533 /nfs/dbraw/zinc/93/35/33/848933533.db2.gz BBUMPSBQYIQWEG-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM CCOc1cc(-c2noc(COCCc3ccccc3)n2)cc(Br)c1[O-] ZINC000436770800 861959632 /nfs/dbraw/zinc/95/96/32/861959632.db2.gz QJEFVMKWDAPNDJ-UHFFFAOYSA-N -1 1 419.275 4.363 20 0 HIADMM CCOc1cc(-c2noc([C@H](C)c3c(C)nn(C)c3C)n2)cc(Br)c1[O-] ZINC000436767611 861959658 /nfs/dbraw/zinc/95/96/58/861959658.db2.gz GKXPIBZXCYTGIQ-SECBINFHSA-N -1 1 421.295 4.106 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1 ZINC000046845936 848946253 /nfs/dbraw/zinc/94/62/53/848946253.db2.gz IVRUJBFBLGUNLJ-UHFFFAOYSA-N -1 1 421.526 4.212 20 0 HIADMM CCOc1cc(-c2noc(/C=C\c3cncc(F)c3)n2)cc(Br)c1[O-] ZINC000436771441 861963347 /nfs/dbraw/zinc/96/33/47/861963347.db2.gz VOLHVADWDXDZIU-ARJAWSKDSA-N -1 1 406.211 4.308 20 0 HIADMM CCOc1cc(-c2noc(CCc3ccccc3OC)n2)cc(Br)c1[O-] ZINC000436771420 861963545 /nfs/dbraw/zinc/96/35/45/861963545.db2.gz VIWUDHRKTQGYHQ-UHFFFAOYSA-N -1 1 419.275 4.397 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2C[C@@H]2C(F)F)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436773507 861966685 /nfs/dbraw/zinc/96/66/85/861966685.db2.gz JNTCLUAAJDYNKA-FZMZJTMJSA-N -1 1 415.223 4.335 20 0 HIADMM O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000047292740 849020821 /nfs/dbraw/zinc/02/08/21/849020821.db2.gz MKPSHFJPZOZQCN-UHFFFAOYSA-N -1 1 409.873 4.085 20 0 HIADMM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1Cl ZINC000436782588 861973302 /nfs/dbraw/zinc/97/33/02/861973302.db2.gz NQAXDLKPAPFCMC-UHFFFAOYSA-N -1 1 417.893 4.175 20 0 HIADMM CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436780680 861971840 /nfs/dbraw/zinc/97/18/40/861971840.db2.gz FTEPHPWPUZXRAF-UHFFFAOYSA-N -1 1 405.292 4.069 20 0 HIADMM O=C(Nc1ccc(C(=O)NCc2ccccn2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000048080602 849161080 /nfs/dbraw/zinc/16/10/80/849161080.db2.gz DVMPKVSYXXYUDB-UHFFFAOYSA-N -1 1 416.264 4.276 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1(F)F ZINC000436819978 862002738 /nfs/dbraw/zinc/00/27/38/862002738.db2.gz PCXMSQHLGCIEFR-LLVKDONJSA-N -1 1 410.367 4.040 20 0 HIADMM C[C@@H](CCCC(F)(F)F)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436822175 862006175 /nfs/dbraw/zinc/00/61/75/862006175.db2.gz NSOZOXYPOROGTM-KBXCAEBGSA-N -1 1 422.447 4.387 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C(C3CC3)C3CC3)cc2)c1 ZINC000050682584 849403861 /nfs/dbraw/zinc/40/38/61/849403861.db2.gz OCHYDKJDBDZUHN-UHFFFAOYSA-N -1 1 412.555 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C(C3CC3)C3CC3)cc2)c1C ZINC000050682538 849404210 /nfs/dbraw/zinc/40/42/10/849404210.db2.gz BOAGQMLFAQGGSS-UHFFFAOYSA-N -1 1 412.555 4.365 20 0 HIADMM CCN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])[C@H]1CCOC1 ZINC000436835026 862015812 /nfs/dbraw/zinc/01/58/12/862015812.db2.gz SJNFSJVSEHRIQW-AWEZNQCLSA-N -1 1 423.296 4.202 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000436836996 862018101 /nfs/dbraw/zinc/01/81/01/862018101.db2.gz FOTFBHANRCMGDO-LJQANCHMSA-N -1 1 407.470 4.190 20 0 HIADMM Cc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])cc2o1 ZINC000436843721 862018956 /nfs/dbraw/zinc/01/89/56/862018956.db2.gz AEVVFFJFMFGMKQ-FQEVSTJZSA-N -1 1 415.449 4.238 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccccc2Oc2cccnc2)CC1 ZINC000052147566 849554844 /nfs/dbraw/zinc/55/48/44/849554844.db2.gz NTTUVNHALDMIDJ-UHFFFAOYSA-N -1 1 402.450 4.315 20 0 HIADMM Cc1cc(=O)c(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000436857946 862038214 /nfs/dbraw/zinc/03/82/14/862038214.db2.gz MMVJAPCXMCWXIG-UHFFFAOYSA-N -1 1 423.778 4.171 20 0 HIADMM CCc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436869537 862045992 /nfs/dbraw/zinc/04/59/92/862045992.db2.gz BBRPNGPIXCIKEC-HSZRJFAPSA-N -1 1 416.521 4.071 20 0 HIADMM CCC[C@H](CCCS(C)(=O)=O)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000436869445 862046103 /nfs/dbraw/zinc/04/61/03/862046103.db2.gz DGVHMCCJDSUGHU-GFCCVEGCSA-N -1 1 416.927 4.203 20 0 HIADMM CCOc1cc(-c2noc(C[C@H]3CCC[C@H](OC)C3)n2)cc(Br)c1[O-] ZINC000436872396 862050082 /nfs/dbraw/zinc/05/00/82/862050082.db2.gz MPYYDVZQQDPNRX-AAEUAGOBSA-N -1 1 411.296 4.351 20 0 HIADMM CCOc1cc(-c2noc(C(F)(F)C3CCOCC3)n2)cc(Br)c1[O-] ZINC000436873446 862050261 /nfs/dbraw/zinc/05/02/61/862050261.db2.gz PNJYGVCKEPJCFN-UHFFFAOYSA-N -1 1 419.222 4.122 20 0 HIADMM CCOc1cc(-c2noc(-c3ncsc3Br)n2)cc(Cl)c1[O-] ZINC000436876037 862051836 /nfs/dbraw/zinc/05/18/36/862051836.db2.gz GBWSJXCVKNGVMS-UHFFFAOYSA-N -1 1 402.657 4.380 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2CC=CCC2)c([O-])c1)c1cccc(Br)c1 ZINC000436874871 862051894 /nfs/dbraw/zinc/05/18/94/862051894.db2.gz SISIMLCBNZPFRD-OAHLLOKOSA-N -1 1 415.287 4.246 20 0 HIADMM COc1cc(-c2noc(-c3cccc(NC(C)=O)c3C)n2)cc(Br)c1[O-] ZINC000436878658 862056870 /nfs/dbraw/zinc/05/68/70/862056870.db2.gz LBPXJMBKGGEXRE-UHFFFAOYSA-N -1 1 418.247 4.147 20 0 HIADMM CCOc1cc(-c2noc(C3Cc4ccccc4C3)n2)cc(Br)c1[O-] ZINC000436880050 862057285 /nfs/dbraw/zinc/05/72/85/862057285.db2.gz ZGKVSGLACNBLJW-UHFFFAOYSA-N -1 1 401.260 4.486 20 0 HIADMM CCOc1cc(-c2noc(CCOCC(F)(F)C(F)(F)F)n2)cc(Cl)c1[O-] ZINC000436881997 862058484 /nfs/dbraw/zinc/05/84/84/862058484.db2.gz ZPIWIPLMGQRDIM-UHFFFAOYSA-N -1 1 416.730 4.251 20 0 HIADMM COc1cc(-c2noc(-c3ccc(-c4cc[nH]n4)s3)n2)cc(Br)c1[O-] ZINC000436880541 862059417 /nfs/dbraw/zinc/05/94/17/862059417.db2.gz RQMNTWOSJHYUPX-UHFFFAOYSA-N -1 1 419.260 4.332 20 0 HIADMM COc1ccccc1NC(=O)Cc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436884386 862062490 /nfs/dbraw/zinc/06/24/90/862062490.db2.gz BPKNKGRRPJBKGY-UHFFFAOYSA-N -1 1 417.421 4.424 20 0 HIADMM CCOc1cc(-c2nc(C3(NC(=O)c4ccccc4)CCC3)no2)cc(Cl)c1[O-] ZINC000436885835 862063727 /nfs/dbraw/zinc/06/37/27/862063727.db2.gz PNUFYDUEEXBCEM-UHFFFAOYSA-N -1 1 413.861 4.304 20 0 HIADMM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2ccccc2c1[O-] ZINC000436888912 862066906 /nfs/dbraw/zinc/06/69/06/862066906.db2.gz VBWAEJXXMMGJMQ-UHFFFAOYSA-N -1 1 416.399 4.454 20 0 HIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cc(Br)ccc1[O-] ZINC000436890660 862068388 /nfs/dbraw/zinc/06/83/88/862068388.db2.gz DAUSQBQLBDPXIB-QMMMGPOBSA-N -1 1 420.229 4.021 20 0 HIADMM C[C@H]1CCCN(c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3Cl)s2)C1 ZINC000055117817 849973295 /nfs/dbraw/zinc/97/32/95/849973295.db2.gz BWIXRSUKBMAAOA-GXFFZTMASA-N -1 1 400.331 4.052 20 0 HIADMM COCc1cccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c1 ZINC000055220141 849989267 /nfs/dbraw/zinc/98/92/67/849989267.db2.gz CBHGQANIENOIRO-UHFFFAOYSA-N -1 1 412.392 4.321 20 0 HIADMM O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436903232 862080642 /nfs/dbraw/zinc/08/06/42/862080642.db2.gz SMZJFKBDVFCVKW-UHFFFAOYSA-N -1 1 419.884 4.252 20 0 HIADMM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000055591888 850067472 /nfs/dbraw/zinc/06/74/72/850067472.db2.gz VBCJQAHZFYFZDK-UHFFFAOYSA-N -1 1 403.463 4.475 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000055592099 850068251 /nfs/dbraw/zinc/06/82/51/850068251.db2.gz LYQJRXNHUMGRFC-UHFFFAOYSA-N -1 1 416.421 4.289 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000055595043 850071666 /nfs/dbraw/zinc/07/16/66/850071666.db2.gz YBAVCLJBBNCVDS-UHFFFAOYSA-N -1 1 402.394 4.043 20 0 HIADMM O=C1OCCN1Cc1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000055608093 850078454 /nfs/dbraw/zinc/07/84/54/850078454.db2.gz SGCHMCBJLGUKMD-UHFFFAOYSA-N -1 1 408.479 4.107 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1F ZINC000055633928 850085647 /nfs/dbraw/zinc/08/56/47/850085647.db2.gz ZPOXREKJEUESAD-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000055638577 850086736 /nfs/dbraw/zinc/08/67/36/850086736.db2.gz USZKUBRGURCELI-UHFFFAOYSA-N -1 1 418.849 4.481 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000055651270 850096108 /nfs/dbraw/zinc/09/61/08/850096108.db2.gz AIIIEDDVQSDQJN-UHFFFAOYSA-N -1 1 404.507 4.115 20 0 HIADMM Cc1cccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c1O ZINC000436914095 862093526 /nfs/dbraw/zinc/09/35/26/862093526.db2.gz KLDIVPFSHVPDOS-UHFFFAOYSA-N -1 1 401.054 4.184 20 0 HIADMM CCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1Cl ZINC000055770626 850145764 /nfs/dbraw/zinc/14/57/64/850145764.db2.gz GRJSFGVBIGJHOG-UHFFFAOYSA-N -1 1 414.911 4.051 20 0 HIADMM Cc1cc(Br)ccc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915890 862096292 /nfs/dbraw/zinc/09/62/92/862096292.db2.gz SYASZOKSLVWORY-UHFFFAOYSA-N -1 1 407.655 4.154 20 0 HIADMM Cc1cc(Br)ccc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915890 862096303 /nfs/dbraw/zinc/09/63/03/862096303.db2.gz SYASZOKSLVWORY-UHFFFAOYSA-N -1 1 407.655 4.154 20 0 HIADMM CC(C)c1nc(-c2ccccc2NC(=O)c2cc(Br)ccc2[O-])n[nH]1 ZINC000436919779 862101065 /nfs/dbraw/zinc/10/10/65/862101065.db2.gz PALNEOZPWVLBSU-UHFFFAOYSA-N -1 1 401.264 4.316 20 0 HIADMM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000055927786 850209068 /nfs/dbraw/zinc/20/90/68/850209068.db2.gz QRWGBUJYSRZOIJ-UHFFFAOYSA-N -1 1 414.358 4.088 20 0 HIADMM CCCc1c(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cnn1-c1ccccc1 ZINC000436921581 862103385 /nfs/dbraw/zinc/10/33/85/862103385.db2.gz WDFAHCRXOBNVOP-UHFFFAOYSA-N -1 1 422.876 4.221 20 0 HIADMM CCCc1c(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cnn1-c1ccccc1 ZINC000436921581 862103397 /nfs/dbraw/zinc/10/33/97/862103397.db2.gz WDFAHCRXOBNVOP-UHFFFAOYSA-N -1 1 422.876 4.221 20 0 HIADMM O=C(CC[C@H]1CCCO1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000056061992 850236187 /nfs/dbraw/zinc/23/61/87/850236187.db2.gz YLVAECFOECBUGG-QGZVFWFLSA-N -1 1 408.907 4.039 20 0 HIADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000056089658 850241055 /nfs/dbraw/zinc/24/10/55/850241055.db2.gz HWAAMQCUICKXGJ-AWEZNQCLSA-N -1 1 416.355 4.165 20 0 HIADMM C[C@@H](c1ccco1)N(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000056185839 850276357 /nfs/dbraw/zinc/27/63/57/850276357.db2.gz QGGPXGDVFBAPRB-INIZCTEOSA-N -1 1 410.495 4.446 20 0 HIADMM COc1cc([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)ccc1OCc1ccccc1 ZINC000436936893 862115013 /nfs/dbraw/zinc/11/50/13/862115013.db2.gz ZVVILHYNOVTETB-INIZCTEOSA-N -1 1 405.450 4.040 20 0 HIADMM COc1ncc(Br)cc1Cc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436945423 862122022 /nfs/dbraw/zinc/12/20/22/862122022.db2.gz FZIPXURFXXXDAL-UHFFFAOYSA-N -1 1 412.243 4.352 20 0 HIADMM O=C(Nc1ccc(-c2nc(CCc3ccco3)no2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436945819 862122203 /nfs/dbraw/zinc/12/22/03/862122203.db2.gz NWVCFQFAJZGCAI-UHFFFAOYSA-N -1 1 411.364 4.351 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CC4(CCC4)C[C@@H]3C)c([O-])c2)c1 ZINC000436953873 862133233 /nfs/dbraw/zinc/13/32/33/862133233.db2.gz CMUUJPYGMLALOL-HNNXBMFYSA-N -1 1 424.497 4.066 20 0 HIADMM Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c(Cl)n1 ZINC000056931462 850518781 /nfs/dbraw/zinc/51/87/81/850518781.db2.gz SXLXTVVHGIDCOA-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N([C@H](C)C3CC3)C3CC3)cc2)ccc1F ZINC000056935025 850519957 /nfs/dbraw/zinc/51/99/57/850519957.db2.gz QFRRWVNRZSBHIO-OAHLLOKOSA-N -1 1 416.518 4.338 20 0 HIADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000057103479 850548379 /nfs/dbraw/zinc/54/83/79/850548379.db2.gz KVDDGIUAOAYDLO-CQSZACIVSA-N -1 1 416.355 4.165 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C)c1O ZINC000057118543 850550011 /nfs/dbraw/zinc/55/00/11/850550011.db2.gz IYJMFLYNDFXUID-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000057115815 850550425 /nfs/dbraw/zinc/55/04/25/850550425.db2.gz AJAVKMZJDNGIRV-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1Cl ZINC000057121098 850551904 /nfs/dbraw/zinc/55/19/04/850551904.db2.gz RHMOLHGKRLMYFC-UHFFFAOYSA-N -1 1 401.315 4.242 20 0 HIADMM CCC(CC)[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1cccs1 ZINC000057255327 850590887 /nfs/dbraw/zinc/59/08/87/850590887.db2.gz ZJUWXAYLCGVCHR-HXUWFJFHSA-N -1 1 410.543 4.038 20 0 HIADMM CN1CC[C@@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436978921 862157412 /nfs/dbraw/zinc/15/74/12/862157412.db2.gz IOCQKGMCJLNZMX-GTNSWQLSSA-N -1 1 415.267 4.400 20 0 HIADMM Cc1noc(-c2ccccc2)c1NC(=O)c1cc(I)ccc1[O-] ZINC000436981928 862158711 /nfs/dbraw/zinc/15/87/11/862158711.db2.gz DSJMJPHAXDTUFY-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]NC(=S)Nc3ccccc3C)cc12 ZINC000058169736 850776283 /nfs/dbraw/zinc/77/62/83/850776283.db2.gz QWNZJBVKYOGGIL-UHFFFAOYSA-N -1 1 421.551 4.335 20 0 HIADMM Cc1ccc(NC(=O)Cn2ccc3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058225500 850784528 /nfs/dbraw/zinc/78/45/28/850784528.db2.gz OQOWXIGSSKUWED-UHFFFAOYSA-N -1 1 419.506 4.389 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000058324742 850800812 /nfs/dbraw/zinc/80/08/12/850800812.db2.gz AQVOUBQMFCZUJR-UHFFFAOYSA-N -1 1 404.879 4.004 20 0 HIADMM CC[C@H](C)Oc1cccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436998513 862173005 /nfs/dbraw/zinc/17/30/05/862173005.db2.gz KDFYFDHNRFSVOD-ZDUSSCGKSA-N -1 1 409.442 4.371 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C(F)(F)F)c3)cc2C[C@H]1C ZINC000058482030 850836715 /nfs/dbraw/zinc/83/67/15/850836715.db2.gz HBBILVLOMOGYMQ-GFCCVEGCSA-N -1 1 412.433 4.112 20 0 HIADMM CCOC(=O)N=c1[nH]c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2s1 ZINC000058495712 850840196 /nfs/dbraw/zinc/84/01/96/850840196.db2.gz UOMVPHGSJUAVEC-UHFFFAOYSA-N -1 1 411.892 4.319 20 0 HIADMM Cc1cc2n[nH]cc2cc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000437000640 862175301 /nfs/dbraw/zinc/17/53/01/862175301.db2.gz JDZTUGPCYJTIJK-UHFFFAOYSA-N -1 1 422.391 4.360 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)c1 ZINC000060166074 851048095 /nfs/dbraw/zinc/04/80/95/851048095.db2.gz MBBSPBPCBSVHBZ-UHFFFAOYSA-N -1 1 416.886 4.317 20 0 HIADMM CCc1ccc([C@@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C(C)C)cc1 ZINC000060193097 851051147 /nfs/dbraw/zinc/05/11/47/851051147.db2.gz LYGFQBFXBIJZDE-QHCPKHFHSA-N -1 1 418.541 4.149 20 0 HIADMM CCc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060401422 851087701 /nfs/dbraw/zinc/08/77/01/851087701.db2.gz WIGNUHWWKUUJKR-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM O=C(NCC(F)(F)F)N[N-]C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000060411201 851091059 /nfs/dbraw/zinc/09/10/59/851091059.db2.gz IMWIDRAVWQKAIS-UHFFFAOYSA-N -1 1 412.220 4.228 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(O)cc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000060635255 851173924 /nfs/dbraw/zinc/17/39/24/851173924.db2.gz DYOPSQKPMDAZFQ-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM CCCCOC(=O)c1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000061307964 851344264 /nfs/dbraw/zinc/34/42/64/851344264.db2.gz PDYCVOJGSHVKFT-UHFFFAOYSA-N -1 1 424.497 4.476 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2NC(=O)NC(C)C)cc1 ZINC000061403303 851368032 /nfs/dbraw/zinc/36/80/32/851368032.db2.gz WINTVYNNGMXXHI-UHFFFAOYSA-N -1 1 424.530 4.085 20 0 HIADMM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[N-]NC(=O)CCOc1ccccc1 ZINC000061478574 851387994 /nfs/dbraw/zinc/38/79/94/851387994.db2.gz ZOONXSWOLHGDHS-UHFFFAOYSA-N -1 1 415.902 4.002 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000063146727 851621444 /nfs/dbraw/zinc/62/14/44/851621444.db2.gz HJUKDDKQYOLBRM-UHFFFAOYSA-N -1 1 409.504 4.082 20 0 HIADMM CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000063181442 851629357 /nfs/dbraw/zinc/62/93/57/851629357.db2.gz RUMXQZWDLVRFMQ-UHFFFAOYSA-N -1 1 400.859 4.484 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](C)CC3)c2)c1 ZINC000063275071 851648709 /nfs/dbraw/zinc/64/87/09/851648709.db2.gz BWFHAKOOQLGXPI-INIZCTEOSA-N -1 1 400.544 4.366 20 0 HIADMM C=CCN(Cc1cccc(C#N)c1)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000063341087 851666593 /nfs/dbraw/zinc/66/65/93/851666593.db2.gz SNGUFPYTKUTMSB-UHFFFAOYSA-N -1 1 417.538 4.393 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@H](C)CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000063341762 851667693 /nfs/dbraw/zinc/66/76/93/851667693.db2.gz ITMFAUNAWSTQFU-HNNXBMFYSA-N -1 1 404.507 4.197 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1 ZINC000063442857 851691031 /nfs/dbraw/zinc/69/10/31/851691031.db2.gz KYSNFOJIUJAGDS-UHFFFAOYSA-N -1 1 404.488 4.167 20 0 HIADMM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063913081 851792644 /nfs/dbraw/zinc/79/26/44/851792644.db2.gz SVRDURPKYMMEHW-UHFFFAOYSA-N -1 1 420.384 4.238 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000064477505 851907741 /nfs/dbraw/zinc/90/77/41/851907741.db2.gz FEVFAWOYVPOFFR-UHFFFAOYSA-N -1 1 423.494 4.088 20 0 HIADMM CCOC(=O)C1=C(NC(=O)c2ccc(Cl)nc2Cl)[N-]c2ccccc2N=C1C ZINC000064869002 852009737 /nfs/dbraw/zinc/00/97/37/852009737.db2.gz FHOVJAHMUSWQRO-UHFFFAOYSA-N -1 1 419.268 4.111 20 0 HIADMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064938017 852026038 /nfs/dbraw/zinc/02/60/38/852026038.db2.gz JLXBCYZOUPGNQA-UHFFFAOYSA-N -1 1 416.446 4.015 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1ccc(SC(F)(F)F)cc1 ZINC000064937715 852026538 /nfs/dbraw/zinc/02/65/38/852026538.db2.gz MVFFQLMAQKLDHB-UHFFFAOYSA-N -1 1 405.419 4.261 20 0 HIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000064938351 852027481 /nfs/dbraw/zinc/02/74/81/852027481.db2.gz TUHCQDGKJKLWCI-UHFFFAOYSA-N -1 1 401.406 4.313 20 0 HIADMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)ccc1Cl ZINC000065079893 852057447 /nfs/dbraw/zinc/05/74/47/852057447.db2.gz BTTRCDRPKHALBJ-UHFFFAOYSA-N -1 1 405.819 4.236 20 0 HIADMM O=C(Nc1cccc(COCC2CC2)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000065472661 852147490 /nfs/dbraw/zinc/14/74/90/852147490.db2.gz DBMRIVOFQVKJDN-UHFFFAOYSA-N -1 1 408.498 4.446 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(F)c(F)cc1F ZINC000437136896 862329010 /nfs/dbraw/zinc/32/90/10/862329010.db2.gz WQKCLOIJDBOEFP-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CC1CCC(CNC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000065691222 852220800 /nfs/dbraw/zinc/22/08/00/852220800.db2.gz OIMFKVHEUIOGBW-UHFFFAOYSA-N -1 1 418.534 4.112 20 0 HIADMM CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000065867078 852291569 /nfs/dbraw/zinc/29/15/69/852291569.db2.gz MBVGUIUWJZFLKH-UHFFFAOYSA-N -1 1 423.538 4.261 20 0 HIADMM COc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)c1 ZINC000068855305 852373121 /nfs/dbraw/zinc/37/31/21/852373121.db2.gz BVCPSUNDQDAPSZ-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1Cl ZINC000069604299 852398629 /nfs/dbraw/zinc/39/86/29/852398629.db2.gz PIRIWAWAPGOMNR-LLVKDONJSA-N -1 1 413.779 4.290 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)o1 ZINC000071935226 852436273 /nfs/dbraw/zinc/43/62/73/852436273.db2.gz HWSHFDPGWZLZIJ-LJQANCHMSA-N -1 1 404.532 4.018 20 0 HIADMM CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1(C)C ZINC000072081934 852500154 /nfs/dbraw/zinc/50/01/54/852500154.db2.gz BLQGUJSIEPVBBI-CTNGQTDRSA-N -1 1 412.555 4.342 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4n[nH]cc4c3)cc2)c1 ZINC000105600499 852717346 /nfs/dbraw/zinc/71/73/46/852717346.db2.gz UUECPJLBUVBHQU-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000107625477 852783168 /nfs/dbraw/zinc/78/31/68/852783168.db2.gz GIVOPEBCRSRYIZ-KRWDZBQOSA-N -1 1 414.556 4.432 20 0 HIADMM CCOC(=O)C1=C(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)[N-]c2ccccc2N=C1C ZINC000107835383 852801969 /nfs/dbraw/zinc/80/19/69/852801969.db2.gz HPSXIMUTTSIAQF-KBPBESRZSA-N -1 1 423.435 4.464 20 0 HIADMM O=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000108667047 852870398 /nfs/dbraw/zinc/87/03/98/852870398.db2.gz XIHPXZFVSISIJF-UHFFFAOYSA-N -1 1 424.507 4.191 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000108705242 852874041 /nfs/dbraw/zinc/87/40/41/852874041.db2.gz ONDJILPJARTSEZ-INIZCTEOSA-N -1 1 406.433 4.336 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1 ZINC000108895218 852890587 /nfs/dbraw/zinc/89/05/87/852890587.db2.gz AIVVECRHVIBMNP-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC3CCCC3)c2)cc1 ZINC000109431636 852969542 /nfs/dbraw/zinc/96/95/42/852969542.db2.gz VAYUJZTVCGYWHN-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CN(CC1CCCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000109432119 852969840 /nfs/dbraw/zinc/96/98/40/852969840.db2.gz OQIOBJSBUHXNGO-UHFFFAOYSA-N -1 1 406.935 4.403 20 0 HIADMM CCCN(CC(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000109673110 852997842 /nfs/dbraw/zinc/99/78/42/852997842.db2.gz LUNFJOZLABMEMJ-UHFFFAOYSA-N -1 1 416.877 4.258 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2cccc(C)c2)cc1 ZINC000109841727 853021569 /nfs/dbraw/zinc/02/15/69/853021569.db2.gz WFEUIAYUTTZEFX-UHFFFAOYSA-N -1 1 410.543 4.064 20 0 HIADMM COc1ccc([C@H]2CCN(C(=O)CCn3c(=S)[n-]nc3-c3cccc(C)c3)C2)cc1 ZINC000110072221 853056396 /nfs/dbraw/zinc/05/63/96/853056396.db2.gz QLYWMTOZPOLXAC-IBGZPJMESA-N -1 1 422.554 4.331 20 0 HIADMM COc1ccc(CC2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)cc1 ZINC000110073504 853056588 /nfs/dbraw/zinc/05/65/88/853056588.db2.gz ZYTVYTCHVVEJQA-UHFFFAOYSA-N -1 1 404.304 4.258 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(SC(=O)N(C)C)cc2)cc1OCC ZINC000110906561 853166202 /nfs/dbraw/zinc/16/62/02/853166202.db2.gz XYAWRJPXEFWIAR-UHFFFAOYSA-N -1 1 424.544 4.059 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(Cn3cccn3)cc2)cc1 ZINC000111084312 853198668 /nfs/dbraw/zinc/19/86/68/853198668.db2.gz BPWYZGGLZTUXDZ-UHFFFAOYSA-N -1 1 418.526 4.190 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2n[nH]cc21 ZINC000116119760 853284672 /nfs/dbraw/zinc/28/46/72/853284672.db2.gz OBCKSAJOYWMXGI-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CCN(CCC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000116276550 853295524 /nfs/dbraw/zinc/29/55/24/853295524.db2.gz CSYDPOZAEYCEEZ-UHFFFAOYSA-N -1 1 418.412 4.041 20 0 HIADMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000116405343 853302403 /nfs/dbraw/zinc/30/24/03/853302403.db2.gz VPNVHVORWORMMS-RKDXNWHRSA-N -1 1 418.223 4.400 20 0 HIADMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000116405340 853302689 /nfs/dbraw/zinc/30/26/89/853302689.db2.gz VPNVHVORWORMMS-DTWKUNHWSA-N -1 1 418.223 4.400 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCC1(c2ccc(F)cc2)CCC1 ZINC000116476942 853306929 /nfs/dbraw/zinc/30/69/29/853306929.db2.gz BJPWEEINWNUMTD-UHFFFAOYSA-N -1 1 416.547 4.436 20 0 HIADMM Cn1c(Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)n[n-]c1=S ZINC000116793361 853333189 /nfs/dbraw/zinc/33/31/89/853333189.db2.gz CKXUSXMODRQNPR-UHFFFAOYSA-N -1 1 421.551 4.296 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3ccsc3)c2)c1 ZINC000116897364 853337725 /nfs/dbraw/zinc/33/77/25/853337725.db2.gz PIBGFLSLRSVYFN-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2s1 ZINC000117334061 853354021 /nfs/dbraw/zinc/35/40/21/853354021.db2.gz FHYNDHITAHMEAC-UHFFFAOYSA-N -1 1 411.455 4.114 20 0 HIADMM Cc1nc(-c2ccccc2)sc1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000195608445 853711010 /nfs/dbraw/zinc/71/10/10/853711010.db2.gz ADKWHBPJCWXFDR-GFCCVEGCSA-N -1 1 421.475 4.205 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc(Cl)c1[O-] ZINC000216014379 853842409 /nfs/dbraw/zinc/84/24/09/853842409.db2.gz NKLHQWJUKQHAGK-UHFFFAOYSA-N -1 1 411.285 4.187 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2I)sc1Cl ZINC000231808848 853897744 /nfs/dbraw/zinc/89/77/44/853897744.db2.gz UAJKOJIIWLTPPD-UHFFFAOYSA-N -1 1 413.689 4.115 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000247955065 854168791 /nfs/dbraw/zinc/16/87/91/854168791.db2.gz MWPUVIVWCRJARZ-UHFFFAOYSA-N -1 1 404.491 4.185 20 0 HIADMM O=C(CSc1nc2ccccc2s1)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000255945768 854226713 /nfs/dbraw/zinc/22/67/13/854226713.db2.gz PWNOKYYJTPUXTM-UHFFFAOYSA-N -1 1 412.323 4.156 20 0 HIADMM CCC[C@@H](NC(=O)[C@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000261369340 854236594 /nfs/dbraw/zinc/23/65/94/854236594.db2.gz LEENKUVTLKIQJL-FDDCHVKYSA-N -1 1 408.542 4.333 20 0 HIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000261428566 854258615 /nfs/dbraw/zinc/25/86/15/854258615.db2.gz OHZMRDPGAJTQNC-UWVGGRQHSA-N -1 1 403.451 4.107 20 0 HIADMM Cc1nc(-c2ccc(N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)nc2)[n-]c(=O)c1C ZINC000301334354 854362768 /nfs/dbraw/zinc/36/27/68/854362768.db2.gz CJIMQDLHLBYMDF-OAHLLOKOSA-N -1 1 403.486 4.383 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCc3cccs3)c2)c1 ZINC000301385469 854378750 /nfs/dbraw/zinc/37/87/50/854378750.db2.gz MZUFEWJZSZNOJY-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM Cc1cc(F)ccc1N1CCC[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000301410130 854386146 /nfs/dbraw/zinc/38/61/46/854386146.db2.gz XOQYAZXGSKZFTO-IBGZPJMESA-N -1 1 407.493 4.389 20 0 HIADMM COc1ccc(CC2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)CC2)cc1 ZINC000301421044 854389160 /nfs/dbraw/zinc/38/91/60/854389160.db2.gz SCOAECYPBWOONS-UHFFFAOYSA-N -1 1 404.514 4.329 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H]3CCCN(c4ccccc4Cl)C3=O)nc2)[n-]c(=O)c1C ZINC000301427461 854391489 /nfs/dbraw/zinc/39/14/89/854391489.db2.gz PIZHJAPNRHJXSJ-QGZVFWFLSA-N -1 1 423.904 4.122 20 0 HIADMM Cc1nc(-c2ccc(N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000301773401 854463144 /nfs/dbraw/zinc/46/31/44/854463144.db2.gz KEKYWTFNYMXANW-VQTJNVASSA-N -1 1 408.477 4.093 20 0 HIADMM CC[C@H](C)[C@H](C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-])c1ccccc1 ZINC000301997404 854513063 /nfs/dbraw/zinc/51/30/63/854513063.db2.gz NWFKTIZMPMMKPU-KKSFZXQISA-N -1 1 418.559 4.191 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccn2C)cc1 ZINC000302804969 854639277 /nfs/dbraw/zinc/63/92/77/854639277.db2.gz ARVCXEAFTUOQGG-JOCHJYFZSA-N -1 1 423.538 4.112 20 0 HIADMM Cc1nc(-c2ccc(N3CCC(C(=O)c4ccc(F)cc4)CC3)nc2)[n-]c(=O)c1C ZINC000302850465 854656653 /nfs/dbraw/zinc/65/66/53/854656653.db2.gz INGLQWBDPQONMH-UHFFFAOYSA-N -1 1 406.461 4.099 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCCc2ccccc2)c1 ZINC000302919123 854679108 /nfs/dbraw/zinc/67/91/08/854679108.db2.gz XILGQBHBYHTOCB-UHFFFAOYSA-N -1 1 422.550 4.467 20 0 HIADMM COc1ccccc1C[C@H]1CCCN1C(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000302938037 854687472 /nfs/dbraw/zinc/68/74/72/854687472.db2.gz AGLRJRSZCGRRQA-LJQANCHMSA-N -1 1 422.554 4.158 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3cccc(C)c3)cc2)cc1 ZINC000303097715 854759104 /nfs/dbraw/zinc/75/91/04/854759104.db2.gz JXWKQAYTRSWCSA-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)n(-c2ccncc2)n1 ZINC000437342708 862617013 /nfs/dbraw/zinc/61/70/13/862617013.db2.gz OLHMRQFEEDFICG-UHFFFAOYSA-N -1 1 420.494 4.477 20 0 HIADMM CN1CCCc2cc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)ccc21 ZINC000303436418 854937429 /nfs/dbraw/zinc/93/74/29/854937429.db2.gz YAHDVJQHOKAHQP-UHFFFAOYSA-N -1 1 421.522 4.122 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000303553467 855036742 /nfs/dbraw/zinc/03/67/42/855036742.db2.gz JYKMXZPFQQEZFM-HSZRJFAPSA-N -1 1 410.539 4.450 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C[S@](=O)c2ccccc2)c1 ZINC000303634887 855091431 /nfs/dbraw/zinc/09/14/31/855091431.db2.gz PLMIMVXGASKWEK-SANMLTNESA-N -1 1 403.500 4.243 20 0 HIADMM CC(C)(C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cccs1 ZINC000303641126 855097967 /nfs/dbraw/zinc/09/79/67/855097967.db2.gz RAVTTWFICDBFQC-UHFFFAOYSA-N -1 1 414.552 4.143 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4n3C)cc2)cc1C ZINC000303706999 855143850 /nfs/dbraw/zinc/14/38/50/855143850.db2.gz PBNRGIWLTFHMJR-UHFFFAOYSA-N -1 1 407.495 4.358 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000303745166 855167472 /nfs/dbraw/zinc/16/74/72/855167472.db2.gz JRLMJFLLCKCUBE-QUCCMNQESA-N -1 1 406.555 4.444 20 0 HIADMM Cc1ccc(C[C@H](C)N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000303783173 855195955 /nfs/dbraw/zinc/19/59/55/855195955.db2.gz SWKXBMWDIIENOK-IBGZPJMESA-N -1 1 422.550 4.499 20 0 HIADMM CC[C@@H](NC(=O)Cn1c(-c2ccc(OC)cc2)n[n-]c1=S)c1ccc(F)cc1F ZINC000303841967 855239399 /nfs/dbraw/zinc/23/93/99/855239399.db2.gz STWCFGINNIXPNP-QGZVFWFLSA-N -1 1 418.469 4.162 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3cccc(F)c3)CC2)cc1 ZINC000303841672 855239487 /nfs/dbraw/zinc/23/94/87/855239487.db2.gz QLLRTDJQFNEWDE-UHFFFAOYSA-N -1 1 424.497 4.354 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000303852087 855247805 /nfs/dbraw/zinc/24/78/05/855247805.db2.gz FVGRDKUXEYSQHU-MSOLQXFVSA-N -1 1 400.544 4.447 20 0 HIADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)c1ccncc1 ZINC000303914173 855287034 /nfs/dbraw/zinc/28/70/34/855287034.db2.gz NBVSDFLGHGFVAR-QFIPXVFZSA-N -1 1 423.538 4.380 20 0 HIADMM CC[C@](C)(NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1)c1nc(C)cs1 ZINC000303956979 855319862 /nfs/dbraw/zinc/31/98/62/855319862.db2.gz VGTSQISQNCCPIG-IBGZPJMESA-N -1 1 401.561 4.123 20 0 HIADMM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000303975932 855332371 /nfs/dbraw/zinc/33/23/71/855332371.db2.gz VLMDXOAWIFFHSO-ZDUSSCGKSA-N -1 1 423.738 4.327 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(F)cc1Br ZINC000313886240 855374640 /nfs/dbraw/zinc/37/46/40/855374640.db2.gz CWPHTTSDHXCYHB-UHFFFAOYSA-N -1 1 414.083 4.399 20 0 HIADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1Cl ZINC000315204694 855377809 /nfs/dbraw/zinc/37/78/09/855377809.db2.gz GQCHDQOSMSHVMO-UHFFFAOYSA-N -1 1 407.692 4.108 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1Br ZINC000319841063 855387025 /nfs/dbraw/zinc/38/70/25/855387025.db2.gz RXPHVRBMTXBHKJ-UHFFFAOYSA-N -1 1 414.174 4.288 20 0 HIADMM O=C([O-])C[C@H](NCc1cc(Br)ccc1OC(F)F)c1cccs1 ZINC000319891260 855387417 /nfs/dbraw/zinc/38/74/17/855387417.db2.gz YDLWUPCSSWGWLT-NSHDSACASA-N -1 1 406.248 4.418 20 0 HIADMM Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000391399761 855460021 /nfs/dbraw/zinc/46/00/21/855460021.db2.gz PUDJOQJWZOXPBK-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccccc1 ZINC000391600415 855460171 /nfs/dbraw/zinc/46/01/71/855460171.db2.gz GBGWTZXPPQEKFM-INIZCTEOSA-N -1 1 413.293 4.033 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000409867210 855695662 /nfs/dbraw/zinc/69/56/62/855695662.db2.gz OXPFRMZULHDVRE-UHFFFAOYSA-N -1 1 416.543 4.339 20 0 HIADMM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000410134093 855834165 /nfs/dbraw/zinc/83/41/65/855834165.db2.gz GIWGZAKGPMLFEI-XUTJKUGGSA-N -1 1 420.534 4.472 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c(=O)[n-]1 ZINC000410281759 855899867 /nfs/dbraw/zinc/89/98/67/855899867.db2.gz BOKKIEBHVXYFEQ-ZDUSSCGKSA-N -1 1 414.556 4.146 20 0 HIADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)c1 ZINC000410375355 855959579 /nfs/dbraw/zinc/95/95/79/855959579.db2.gz OVMDQUGUVMOZPG-UHFFFAOYSA-N -1 1 422.934 4.089 20 0 HIADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000410399701 855974967 /nfs/dbraw/zinc/97/49/67/855974967.db2.gz FTFGEQKCPRDWSM-OAHLLOKOSA-N -1 1 422.522 4.252 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C ZINC000425971172 856022956 /nfs/dbraw/zinc/02/29/56/856022956.db2.gz NEPFYRMRHNOJNW-UHFFFAOYSA-N -1 1 404.532 4.459 20 0 HIADMM O=C1c2ccccc2N[C@@H](c2cc(F)c([O-])c(F)c2)N1c1ccc2c(c1)OCCO2 ZINC000426135502 856130999 /nfs/dbraw/zinc/13/09/99/856130999.db2.gz GBXPKCQQNLZOBC-OAQYLSRUSA-N -1 1 410.376 4.213 20 0 HIADMM Cc1nsc(C)c1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000426617701 856375654 /nfs/dbraw/zinc/37/56/54/856375654.db2.gz JGTFLLVCQZFOAT-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM COc1ccc(C(=O)Nc2cccc(CN[C@H](CC(=O)[O-])c3ccsc3)c2)cc1 ZINC000426691425 856415712 /nfs/dbraw/zinc/41/57/12/856415712.db2.gz HUZKTTMRMYVPHA-HXUWFJFHSA-N -1 1 410.495 4.315 20 0 HIADMM COc1ccc(C(=O)Nc2cccc(CN[C@@H](C(=O)[O-])c3ccccc3F)c2)cc1 ZINC000426796271 856483404 /nfs/dbraw/zinc/48/34/04/856483404.db2.gz BJUQWOXRJOVEKT-OAQYLSRUSA-N -1 1 408.429 4.002 20 0 HIADMM COc1ccc2nc(CN[C@H](CC(=O)[O-])c3cccc(Br)c3)sc2c1 ZINC000426837629 856506456 /nfs/dbraw/zinc/50/64/56/856506456.db2.gz XWDCVWTTXFELSH-OAHLLOKOSA-N -1 1 421.316 4.373 20 0 HIADMM Cc1cnc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c([O-])c1 ZINC000426998776 856587380 /nfs/dbraw/zinc/58/73/80/856587380.db2.gz HQMZMFQLGPRYII-UHFFFAOYSA-N -1 1 420.444 4.077 20 0 HIADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000427073304 856621209 /nfs/dbraw/zinc/62/12/09/856621209.db2.gz PZHUXCRVDCJJDC-UHFFFAOYSA-N -1 1 420.490 4.259 20 0 HIADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000427183297 856696872 /nfs/dbraw/zinc/69/68/72/856696872.db2.gz CPZWISYOWVIOMF-PMACEKPBSA-N -1 1 418.584 4.282 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)cc1Br ZINC000427195091 856705749 /nfs/dbraw/zinc/70/57/49/856705749.db2.gz AHJUJHOTYNPCST-UHFFFAOYSA-N -1 1 413.318 4.177 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Oc4ncccn4)cc3C)cc2s1 ZINC000427200783 856709373 /nfs/dbraw/zinc/70/93/73/856709373.db2.gz SFAFRJDFHAXTPL-UHFFFAOYSA-N -1 1 412.496 4.296 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1C ZINC000427206747 856712805 /nfs/dbraw/zinc/71/28/05/856712805.db2.gz QYBDEGXGHXSSQB-UHFFFAOYSA-N -1 1 403.529 4.453 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000427258667 856740372 /nfs/dbraw/zinc/74/03/72/856740372.db2.gz UHJRYXHPSROMGP-NRFANRHFSA-N -1 1 412.555 4.365 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(OCC4CCOCC4)cc3)cc2s1 ZINC000427264678 856743519 /nfs/dbraw/zinc/74/35/19/856743519.db2.gz HUITXGWORBUUDL-UHFFFAOYSA-N -1 1 418.540 4.211 20 0 HIADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2ccc(OC(C)C)cc2)cc1F ZINC000427291599 856755335 /nfs/dbraw/zinc/75/53/35/856755335.db2.gz ICUDYGHGVSMIHJ-UHFFFAOYSA-N -1 1 417.506 4.431 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cccc1-c1ncco1 ZINC000427321019 856770243 /nfs/dbraw/zinc/77/02/43/856770243.db2.gz OAIVPTVUIXMFMS-LLVKDONJSA-N -1 1 404.875 4.428 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000427346004 856784574 /nfs/dbraw/zinc/78/45/74/856784574.db2.gz HJMDZIDQLFJUPN-IAGOWNOFSA-N -1 1 416.518 4.197 20 0 HIADMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)o1 ZINC000437478922 862838122 /nfs/dbraw/zinc/83/81/22/862838122.db2.gz CQNMNHAXXXCEER-KUHUBIRLSA-N -1 1 410.518 4.140 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc(Cl)c1[O-] ZINC000427437018 856819222 /nfs/dbraw/zinc/81/92/22/856819222.db2.gz VHWNFAJAOGZJLJ-HXUWFJFHSA-N -1 1 401.890 4.268 20 0 HIADMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc(SC)[n-]c2=O)o1 ZINC000437487275 862844654 /nfs/dbraw/zinc/84/46/54/862844654.db2.gz YUCAUYMIWBDIGV-CXAGYDPISA-N -1 1 403.548 4.300 20 0 HIADMM Cc1cc(C)nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)c1 ZINC000437488250 862846667 /nfs/dbraw/zinc/84/66/67/862846667.db2.gz WABHQQJYTDJSPC-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)ccc1-c1ccncc1 ZINC000427624568 856891499 /nfs/dbraw/zinc/89/14/99/856891499.db2.gz URYMMLLQEDLHLA-UHFFFAOYSA-N -1 1 404.495 4.103 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1-c1ccncc1 ZINC000427625255 856891723 /nfs/dbraw/zinc/89/17/23/856891723.db2.gz YCQCAXHXYRHJGX-UHFFFAOYSA-N -1 1 407.495 4.133 20 0 HIADMM O=S(=O)([N-]c1ccnc(N2CCc3ccccc3C2)c1)c1cnc2ccsc2c1 ZINC000427643957 856895993 /nfs/dbraw/zinc/89/59/93/856895993.db2.gz DTPCBVRIOFYUBR-UHFFFAOYSA-N -1 1 422.535 4.055 20 0 HIADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccnc(N2CCc3ccccc3C2)c1 ZINC000427648267 856896806 /nfs/dbraw/zinc/89/68/06/856896806.db2.gz YVQSFNUMWSTOPR-UHFFFAOYSA-N -1 1 423.538 4.071 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)[nH]nc1-c1ccccc1 ZINC000427743463 856934326 /nfs/dbraw/zinc/93/43/26/856934326.db2.gz JLMGBWASJANQJI-UHFFFAOYSA-N -1 1 415.368 4.224 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccc4c3CN(C)C4)cc2)cc1 ZINC000427780708 856952128 /nfs/dbraw/zinc/95/21/28/856952128.db2.gz NZUACTHIHPSRGB-UHFFFAOYSA-N -1 1 410.495 4.234 20 0 HIADMM Cc1ccc(C(=O)N(C)CCC2CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000437519253 862863954 /nfs/dbraw/zinc/86/39/54/862863954.db2.gz WCGMYCUFCCRFCF-UHFFFAOYSA-N -1 1 406.935 4.321 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)c(C)c1 ZINC000428055185 857057045 /nfs/dbraw/zinc/05/70/45/857057045.db2.gz QADXXSMXARBLHB-UHFFFAOYSA-N -1 1 414.449 4.072 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3(C)CCCC3)cc2)cc1 ZINC000428672997 857294373 /nfs/dbraw/zinc/29/43/73/857294373.db2.gz SCYFKMAIORFIOE-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 ZINC000428708048 857304293 /nfs/dbraw/zinc/30/42/93/857304293.db2.gz LSFYICSEFBPNBW-VIFPVBQESA-N -1 1 422.482 4.266 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Br)c2c1OCCC2 ZINC000429111397 857514627 /nfs/dbraw/zinc/51/46/27/857514627.db2.gz DUDIMWBZTGDXCD-UHFFFAOYSA-N -1 1 414.259 4.122 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3cccc(O)c3)cc2)cc1C ZINC000430229406 858089839 /nfs/dbraw/zinc/08/98/39/858089839.db2.gz VCVSNTDRECKXKO-QGZVFWFLSA-N -1 1 424.522 4.301 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3cccc(O)c3)cc2)cc1C ZINC000430257979 858098411 /nfs/dbraw/zinc/09/84/11/858098411.db2.gz MFHSMBMGPVOUTE-QGZVFWFLSA-N -1 1 424.522 4.301 20 0 HIADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Cl)cc1Sc1ccc(Cl)cc1 ZINC000430324015 858121236 /nfs/dbraw/zinc/12/12/36/858121236.db2.gz GDNWPVFCEHWIHU-UHFFFAOYSA-N -1 1 406.298 4.077 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc2c1CN(CC(F)(F)F)C2 ZINC000430357735 858131898 /nfs/dbraw/zinc/13/18/98/858131898.db2.gz KHPGZNNXAHKJGR-UHFFFAOYSA-N -1 1 402.413 4.121 20 0 HIADMM C[C@H]1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000430452655 858172165 /nfs/dbraw/zinc/17/21/65/858172165.db2.gz XZXKXSMUUCVXDW-KBXCAEBGSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000431043098 858414622 /nfs/dbraw/zinc/41/46/22/858414622.db2.gz AOQNDCSMKAFDJT-FPTDNZKUSA-N -1 1 420.488 4.064 20 0 HIADMM COc1ccccc1CSc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000431177256 858488833 /nfs/dbraw/zinc/48/88/33/858488833.db2.gz GVXVIIJITAYDLC-KRWDZBQOSA-N -1 1 407.557 4.298 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ncccc1Cl ZINC000431242505 858525935 /nfs/dbraw/zinc/52/59/35/858525935.db2.gz NOYBGJFYULGSFD-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000431313565 858559635 /nfs/dbraw/zinc/55/96/35/858559635.db2.gz PLEQPDBHUGPUOK-AAEUAGOBSA-N -1 1 422.761 4.480 20 0 HIADMM CCc1ccc(C(C)(C)CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000431555469 858668088 /nfs/dbraw/zinc/66/80/88/858668088.db2.gz FXRKPGLKCKKBKL-UHFFFAOYSA-N -1 1 418.541 4.142 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(O)ccc1Cl ZINC000431728141 858768096 /nfs/dbraw/zinc/76/80/96/858768096.db2.gz MYZDFEOLIBXSQF-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM CC(C)(c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1)C(F)(F)F ZINC000432049390 858949546 /nfs/dbraw/zinc/94/95/46/858949546.db2.gz UXIMNVYFFQARDP-UHFFFAOYSA-N -1 1 410.417 4.169 20 0 HIADMM CO[C@H]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000432068553 858966183 /nfs/dbraw/zinc/96/61/83/858966183.db2.gz WFBKRVFPLPJJES-KDOFPFPSSA-N -1 1 422.934 4.285 20 0 HIADMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc(Br)cc3F)cc21 ZINC000432076856 858973006 /nfs/dbraw/zinc/97/30/06/858973006.db2.gz MRWFKNINEUMCMN-UHFFFAOYSA-N -1 1 418.671 4.171 20 0 HIADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1 ZINC000432197651 859042678 /nfs/dbraw/zinc/04/26/78/859042678.db2.gz DDDMGTUWNMXOLY-UHFFFAOYSA-N -1 1 401.484 4.065 20 0 HIADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000432205314 859046176 /nfs/dbraw/zinc/04/61/76/859046176.db2.gz KZJOIJBTIQBUCV-UHFFFAOYSA-N -1 1 409.376 4.352 20 0 HIADMM O=S(=O)([N-]CCc1cccc(C(F)(F)F)n1)c1ccc(Cl)c(F)c1Cl ZINC000432277031 859080673 /nfs/dbraw/zinc/08/06/73/859080673.db2.gz LYTPTQZUUPODPB-UHFFFAOYSA-N -1 1 417.211 4.067 20 0 HIADMM O=S(=O)([N-]CC[C@H](c1ccccc1)C(F)(F)F)c1cnccc1C(F)(F)F ZINC000432297176 859090518 /nfs/dbraw/zinc/09/05/18/859090518.db2.gz HWRCLCMDEZSZGZ-GFCCVEGCSA-N -1 1 412.355 4.115 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)ccc2o1 ZINC000432350369 859114939 /nfs/dbraw/zinc/11/49/39/859114939.db2.gz YREKANLHXJGWDK-UHFFFAOYSA-N -1 1 404.488 4.200 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2noc(C3CC3)n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000432481778 859186778 /nfs/dbraw/zinc/18/67/78/859186778.db2.gz CRHYOCBXCDWIPI-UHFFFAOYSA-N -1 1 409.389 4.434 20 0 HIADMM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3cc(Cl)sc3Cl)cccc21 ZINC000432495010 859192716 /nfs/dbraw/zinc/19/27/16/859192716.db2.gz POQUNUGQUWYZEC-NSHDSACASA-N -1 1 407.344 4.241 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(OC(C)C)c2)cc1 ZINC000432497829 859194386 /nfs/dbraw/zinc/19/43/86/859194386.db2.gz RNHUMEVNYXIFNK-UHFFFAOYSA-N -1 1 404.532 4.061 20 0 HIADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000432591869 859243673 /nfs/dbraw/zinc/24/36/73/859243673.db2.gz HJJCKRKZJBGSKG-OAHLLOKOSA-N -1 1 402.491 4.031 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)ccc1Cl ZINC000432645394 859269908 /nfs/dbraw/zinc/26/99/08/859269908.db2.gz NEGWBEXCCLTFKH-UHFFFAOYSA-N -1 1 404.875 4.261 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4cscn4)no3)cc2)cc1C ZINC000432682164 859291034 /nfs/dbraw/zinc/29/10/34/859291034.db2.gz YHPVJPHGVPYFTH-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4cscn4)no3)cc2)cc1C ZINC000432687091 859294406 /nfs/dbraw/zinc/29/44/06/859294406.db2.gz OGNVCXNTKAOWGK-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-n3cnc4ccccc43)cc2)[n-]c1=O ZINC000432703772 859305314 /nfs/dbraw/zinc/30/53/14/859305314.db2.gz BTCFJNITUCOUQB-QINSGFPZSA-N -1 1 400.438 4.258 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3cc(C(C)C)c(OC)cc3C)ccc2o1 ZINC000432957625 859448812 /nfs/dbraw/zinc/44/88/12/859448812.db2.gz ZQSIPUBVGKLQSZ-UHFFFAOYSA-N -1 1 404.488 4.215 20 0 HIADMM CCC[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nn[n-]n1 ZINC000467640538 881437168 /nfs/dbraw/zinc/43/71/68/881437168.db2.gz LQYKOBYOJLNUHA-KRWDZBQOSA-N -1 1 401.923 4.417 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2NC(C)(C)C)c1 ZINC000467657480 881452548 /nfs/dbraw/zinc/45/25/48/881452548.db2.gz RKBFPYIEZOXXBL-UHFFFAOYSA-N -1 1 408.458 4.404 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)c3ccccc3)cc2)c1 ZINC000433527967 859758259 /nfs/dbraw/zinc/75/82/59/859758259.db2.gz AIIHCQPGZCBPMF-UHFFFAOYSA-N -1 1 408.523 4.255 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1nc(C)cs1 ZINC000433633346 859818309 /nfs/dbraw/zinc/81/83/09/859818309.db2.gz LRVVXSMWRLEMEX-ZETCQYMHSA-N -1 1 415.787 4.359 20 0 HIADMM COc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1Cl ZINC000434048480 860062500 /nfs/dbraw/zinc/06/25/00/860062500.db2.gz VFRBIFLVYFCJTF-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000434226037 860210728 /nfs/dbraw/zinc/21/07/28/860210728.db2.gz OCKBJYOEWIGPAG-DLBZAZTESA-N -1 1 420.918 4.134 20 0 HIADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000434281728 860249208 /nfs/dbraw/zinc/24/92/08/860249208.db2.gz RXRIFKQQQSAWQA-OAHLLOKOSA-N -1 1 424.563 4.230 20 0 HIADMM CCSCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000434292186 860257924 /nfs/dbraw/zinc/25/79/24/860257924.db2.gz KCDYNPZJFLETCY-KRWDZBQOSA-N -1 1 420.600 4.400 20 0 HIADMM CCSCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000434305580 860269100 /nfs/dbraw/zinc/26/91/00/860269100.db2.gz LSQCQHHXACWVIG-HNNXBMFYSA-N -1 1 424.563 4.230 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCSC(C)(C)C3)cc2)cc1C ZINC000434376784 860321830 /nfs/dbraw/zinc/32/18/30/860321830.db2.gz HWYHSOJUDPQTAQ-UHFFFAOYSA-N -1 1 418.584 4.072 20 0 HIADMM CSCC[C@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000434381518 860324291 /nfs/dbraw/zinc/32/42/91/860324291.db2.gz BDENWWWEQXPGFK-HNNXBMFYSA-N -1 1 424.563 4.149 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434554211 860397707 /nfs/dbraw/zinc/39/77/07/860397707.db2.gz BLBHDXSFRPMHRQ-UHFFFAOYSA-N -1 1 420.900 4.064 20 0 HIADMM CC(C)(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(F)(F)F ZINC000435412560 860791461 /nfs/dbraw/zinc/79/14/61/860791461.db2.gz RAACRTZEGAFJCA-UHFFFAOYSA-N -1 1 400.422 4.405 20 0 HIADMM O=S(=O)([N-]CC1(c2ccccc2)CCOCC1)c1c(Cl)cc(F)cc1Cl ZINC000435440753 860799831 /nfs/dbraw/zinc/79/98/31/860799831.db2.gz ZKQLIGKXEPJRHU-UHFFFAOYSA-N -1 1 418.317 4.159 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)cc2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435446575 860801450 /nfs/dbraw/zinc/80/14/50/860801450.db2.gz KPHWQVUHHMHDIB-LLVKDONJSA-N -1 1 421.296 4.076 20 0 HIADMM CCSc1nnc([N-]C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)s1 ZINC000435647846 860932267 /nfs/dbraw/zinc/93/22/67/860932267.db2.gz WKFKGCXXTRRUMK-UHFFFAOYSA-N -1 1 408.530 4.043 20 0 HIADMM CCCCn1ncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000435871042 861132233 /nfs/dbraw/zinc/13/22/33/861132233.db2.gz IUBUVXZVABOGRB-UHFFFAOYSA-N -1 1 412.515 4.045 20 0 HIADMM Cc1ccncc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438053441 863421045 /nfs/dbraw/zinc/42/10/45/863421045.db2.gz KMPFYDZVZMULOF-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CCOc1cc(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)cc(Cl)c1[O-] ZINC000467830302 881661564 /nfs/dbraw/zinc/66/15/64/881661564.db2.gz LMFBBZYCOPSBSE-UHFFFAOYSA-N -1 1 406.269 4.844 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000438243033 863699437 /nfs/dbraw/zinc/69/94/37/863699437.db2.gz GJPLRXVGQWNOEM-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM O=S(=O)([N-]c1cc(Br)cc(C(F)(F)F)c1)c1ccc2c(c1)CCO2 ZINC000438755627 864247914 /nfs/dbraw/zinc/24/79/14/864247914.db2.gz GOFKJSPNWOIYII-UHFFFAOYSA-N -1 1 422.222 4.204 20 0 HIADMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)ccc2n1 ZINC000438756642 864249430 /nfs/dbraw/zinc/24/94/30/864249430.db2.gz JLPBPMYQKFMPJN-UHFFFAOYSA-N -1 1 406.467 4.137 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c1 ZINC000438771786 864265817 /nfs/dbraw/zinc/26/58/17/864265817.db2.gz CHFUTVHLTQKOGO-UHFFFAOYSA-N -1 1 407.797 4.032 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)sc3c2)cc1OC ZINC000438780910 864274793 /nfs/dbraw/zinc/27/47/93/864274793.db2.gz ZJWZYBVNXKIIJZ-UHFFFAOYSA-N -1 1 406.529 4.412 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1 ZINC000438789462 864283596 /nfs/dbraw/zinc/28/35/96/864283596.db2.gz FOUVGZUNMXMTSB-IBGZPJMESA-N -1 1 413.499 4.054 20 0 HIADMM COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000438805697 864295826 /nfs/dbraw/zinc/29/58/26/864295826.db2.gz BOIKPKBCVPFKFI-UHFFFAOYSA-N -1 1 417.414 4.126 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)c2)n1 ZINC000438817670 864310089 /nfs/dbraw/zinc/31/00/89/864310089.db2.gz ZPGFORPCSIXSEJ-UHFFFAOYSA-N -1 1 422.279 4.154 20 0 HIADMM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)O1 ZINC000438892910 864374497 /nfs/dbraw/zinc/37/44/97/864374497.db2.gz YOQNDDMPZUDPTN-CZUORRHYSA-N -1 1 424.469 4.052 20 0 HIADMM CCN(Cc1ccccn1)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000439018544 864469274 /nfs/dbraw/zinc/46/92/74/864469274.db2.gz FSSVXGUQEJXLCA-UHFFFAOYSA-N -1 1 423.538 4.162 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)C3(C)CC3)cc2)c1 ZINC000439025087 864478957 /nfs/dbraw/zinc/47/89/57/864478957.db2.gz HILXZMDNKMQZTJ-QGZVFWFLSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2C[C@H](C)CC[C@@H]2C)c1 ZINC000439087182 864534525 /nfs/dbraw/zinc/53/45/25/864534525.db2.gz NRUHDFOLSPEYJS-ZBFHGGJFSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)c2)n1 ZINC000467925033 881800204 /nfs/dbraw/zinc/80/02/04/881800204.db2.gz UFFQUUYIIPMDLI-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)c2)n1 ZINC000467931217 881804718 /nfs/dbraw/zinc/80/47/18/881804718.db2.gz KJPCREFJIQDBQU-UHFFFAOYSA-N -1 1 412.389 4.392 20 0 HIADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1F ZINC000439561733 864886673 /nfs/dbraw/zinc/88/66/73/864886673.db2.gz JBSQZUGFVHECFR-UHFFFAOYSA-N -1 1 424.803 4.001 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H](C)[C@H]2C)c1 ZINC000439797524 865117423 /nfs/dbraw/zinc/11/74/23/865117423.db2.gz ANBHTSXMXHYTEV-GDBMZVCRSA-N -1 1 404.507 4.196 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)ccc2o1 ZINC000439879267 865191038 /nfs/dbraw/zinc/19/10/38/865191038.db2.gz GKCAJLYYZFHBMA-UHFFFAOYSA-N -1 1 418.515 4.242 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC[C@@H]3CC[C@@H](C)O3)ccc2C)c1 ZINC000440383970 865674940 /nfs/dbraw/zinc/67/49/40/865674940.db2.gz ICOQMMNRDPZVHS-XLIONFOSSA-N -1 1 416.543 4.390 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000440392901 865685428 /nfs/dbraw/zinc/68/54/28/865685428.db2.gz SPVQTRRYEFWYNH-UPVQGACJSA-N -1 1 418.518 4.330 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)cc1C ZINC000440414376 865708715 /nfs/dbraw/zinc/70/87/15/865708715.db2.gz OMUHLZJLMWXJAX-QAPCUYQASA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)c(F)cc1F ZINC000440417433 865714970 /nfs/dbraw/zinc/71/49/70/865714970.db2.gz QUOUEMKXNBGKJW-JTQLQIEISA-N -1 1 401.385 4.058 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCCC(F)(F)F)cc2)c1 ZINC000440543215 865811845 /nfs/dbraw/zinc/81/18/45/865811845.db2.gz LMZNRHDGGSGOGX-UHFFFAOYSA-N -1 1 414.449 4.177 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCCC(F)(F)F)c2)c1 ZINC000440547233 865814605 /nfs/dbraw/zinc/81/46/05/865814605.db2.gz PGDCKTINIUVLOT-UHFFFAOYSA-N -1 1 414.449 4.177 20 0 HIADMM Cc1oc(C(=O)[N-]c2cccc(Cl)c2SC(C)C)cc1S(=O)(=O)N(C)C ZINC000440549453 865815444 /nfs/dbraw/zinc/81/54/44/865815444.db2.gz HOLDWJZAMSJIDW-UHFFFAOYSA-N -1 1 416.952 4.245 20 0 HIADMM Cc1oc(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)cc1S(=O)(=O)N(C)C ZINC000440558912 865818762 /nfs/dbraw/zinc/81/87/62/865818762.db2.gz KTVZNSHMFHUISD-UHFFFAOYSA-N -1 1 418.446 4.022 20 0 HIADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c1 ZINC000440819246 865934046 /nfs/dbraw/zinc/93/40/46/865934046.db2.gz BRJXFEWVWWIPOE-UHFFFAOYSA-N -1 1 407.495 4.123 20 0 HIADMM CC(=O)CCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000440934685 866033509 /nfs/dbraw/zinc/03/35/09/866033509.db2.gz SHZJPQCAEQNSFH-UHFFFAOYSA-N -1 1 416.543 4.438 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000440945714 866041588 /nfs/dbraw/zinc/04/15/88/866041588.db2.gz QXZZBKDWDVBZHQ-UHFFFAOYSA-N -1 1 414.310 4.424 20 0 HIADMM Cc1ccc(NC(=O)c2ccc3c(n2)CCCC3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000441716336 866818568 /nfs/dbraw/zinc/81/85/68/866818568.db2.gz QHKPYVLQEHWTIO-UHFFFAOYSA-N -1 1 421.522 4.322 20 0 HIADMM COc1ccc(Br)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442232847 867266677 /nfs/dbraw/zinc/26/66/77/867266677.db2.gz BIYMSIJTZZDVLG-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442244634 867283595 /nfs/dbraw/zinc/28/35/95/867283595.db2.gz TWCSFPUFATYYMT-UHFFFAOYSA-N -1 1 416.877 4.291 20 0 HIADMM CC(C)CC1(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000442629515 867571736 /nfs/dbraw/zinc/57/17/36/867571736.db2.gz NQBPOMBVFMZRND-UHFFFAOYSA-N -1 1 404.507 4.069 20 0 HIADMM COc1cc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc(Cl)c1[O-] ZINC000442939509 867753618 /nfs/dbraw/zinc/75/36/18/867753618.db2.gz JAZSPAWUBZZDJB-UHFFFAOYSA-N -1 1 421.884 4.382 20 0 HIADMM COc1cc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)cc(Cl)c1[O-] ZINC000442958564 867763864 /nfs/dbraw/zinc/76/38/64/867763864.db2.gz CAYBKIHAEUGYGQ-UHFFFAOYSA-N -1 1 412.829 4.140 20 0 HIADMM CSc1ccccc1[C@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000442963054 867767538 /nfs/dbraw/zinc/76/75/38/867767538.db2.gz ICHLMRVYXLMJMB-JTQLQIEISA-N -1 1 413.280 4.210 20 0 HIADMM COc1cccc(Oc2ncccc2CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000442974497 867772877 /nfs/dbraw/zinc/77/28/77/867772877.db2.gz PKJFGBTUVWHETE-UHFFFAOYSA-N -1 1 414.845 4.180 20 0 HIADMM COc1cc(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)cc(Cl)c1[O-] ZINC000442980823 867775745 /nfs/dbraw/zinc/77/57/45/867775745.db2.gz SPAPJPBBHZQFOH-UHFFFAOYSA-N -1 1 411.907 4.066 20 0 HIADMM COc1cc(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)cc(Cl)c1[O-] ZINC000443047529 867802697 /nfs/dbraw/zinc/80/26/97/867802697.db2.gz IIHFDRMCWHWXSM-SECBINFHSA-N -1 1 416.674 4.317 20 0 HIADMM CCOc1cc(-c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)cc(Cl)c1[O-] ZINC000443228925 867884025 /nfs/dbraw/zinc/88/40/25/867884025.db2.gz XPVLKNYWSJLUAY-UHFFFAOYSA-N -1 1 415.755 4.497 20 0 HIADMM COc1cc(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)cc(Cl)c1[O-] ZINC000443291025 867891551 /nfs/dbraw/zinc/89/15/51/867891551.db2.gz DRPCYRGWNRWJPI-SNVBAGLBSA-N -1 1 414.683 4.014 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)c(F)c1)c1ccc(F)c2ncccc12 ZINC000443415996 868000238 /nfs/dbraw/zinc/00/02/38/868000238.db2.gz JGRUORICPVKELU-UHFFFAOYSA-N -1 1 418.343 4.255 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)c1 ZINC000443417553 868002358 /nfs/dbraw/zinc/00/23/58/868002358.db2.gz PTKRJAPQNZGDPD-UHFFFAOYSA-N -1 1 409.813 4.228 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(C)c(OC)c1 ZINC000443419717 868004384 /nfs/dbraw/zinc/00/43/84/868004384.db2.gz RXEINUWEDQMYGY-UHFFFAOYSA-N -1 1 407.822 4.068 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(C)c(OC)c1 ZINC000443421470 868005146 /nfs/dbraw/zinc/00/51/46/868005146.db2.gz YCPKQQYCYNZKTE-UHFFFAOYSA-N -1 1 409.813 4.485 20 0 HIADMM C[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000443554024 868108153 /nfs/dbraw/zinc/10/81/53/868108153.db2.gz SDCCEPGRNSWFRN-PKOBYXMFSA-N -1 1 415.559 4.255 20 0 HIADMM CC[C@@]1(C)Oc2ccc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)cc2O1 ZINC000443563977 868118832 /nfs/dbraw/zinc/11/88/32/868118832.db2.gz YVXZQHNEMWYCFX-QHCPKHFHSA-N -1 1 420.469 4.021 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCOC[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000443918067 868453422 /nfs/dbraw/zinc/45/34/22/868453422.db2.gz FDQGPLYWNZXMON-KDOFPFPSSA-N -1 1 422.934 4.060 20 0 HIADMM O=C(Cc1ccc(Cl)c(F)c1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468273564 882195534 /nfs/dbraw/zinc/19/55/34/882195534.db2.gz ZQUZZTPUYCUEQO-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM COc1ccc(NC(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)cc1[N-]S(C)(=O)=O ZINC000444015942 868540493 /nfs/dbraw/zinc/54/04/93/868540493.db2.gz BROYETYJFDWWNL-GJZGRUSLSA-N -1 1 411.568 4.183 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000444052500 868590594 /nfs/dbraw/zinc/59/05/94/868590594.db2.gz XZYSDDXBEXEPBU-UHFFFAOYSA-N -1 1 416.247 4.372 20 0 HIADMM CSCCCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444080687 868606714 /nfs/dbraw/zinc/60/67/14/868606714.db2.gz ZOFRYBHNOTYJAA-UHFFFAOYSA-N -1 1 407.182 4.177 20 0 HIADMM C[C@@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)n1cnc2ccccc21 ZINC000444355705 868782249 /nfs/dbraw/zinc/78/22/49/868782249.db2.gz AUYRRNXMTUCUFQ-HNNXBMFYSA-N -1 1 406.486 4.004 20 0 HIADMM COc1cccc2[nH]cc(CC(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)c21 ZINC000444371421 868795968 /nfs/dbraw/zinc/79/59/68/868795968.db2.gz HAJOELKXUQTOCR-UHFFFAOYSA-N -1 1 421.497 4.126 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(C)C)C2)cc1 ZINC000444380295 868801955 /nfs/dbraw/zinc/80/19/55/868801955.db2.gz NKEPMEWYMJKFDM-LJQANCHMSA-N -1 1 400.544 4.304 20 0 HIADMM Cn1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c(-c2cccs2)n1 ZINC000444393355 868806883 /nfs/dbraw/zinc/80/68/83/868806883.db2.gz QRJSEIFFCMYEGQ-UHFFFAOYSA-N -1 1 424.526 4.169 20 0 HIADMM Cc1cc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccc1F ZINC000444405983 868813750 /nfs/dbraw/zinc/81/37/50/868813750.db2.gz DHOYXFPMOQTAIC-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(-c3ccc(Cl)s3)n2)s1 ZINC000444479578 868847175 /nfs/dbraw/zinc/84/71/75/868847175.db2.gz OKPZMQZJONVMTE-UHFFFAOYSA-N -1 1 408.921 4.327 20 0 HIADMM CC(C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000444519337 868866726 /nfs/dbraw/zinc/86/67/26/868866726.db2.gz LUUZNTJWBYSQEW-AWEZNQCLSA-N -1 1 402.441 4.431 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](C(C)C)C3)cc2)cc1 ZINC000444518994 868866853 /nfs/dbraw/zinc/86/68/53/868866853.db2.gz KMKHFEKWDNTISK-SFHVURJKSA-N -1 1 416.543 4.004 20 0 HIADMM CC[C@@H](C)[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000444545412 868876980 /nfs/dbraw/zinc/87/69/80/868876980.db2.gz LFLUSSNDCDGREW-CXAGYDPISA-N -1 1 414.449 4.194 20 0 HIADMM CCOc1cc(C(=O)NC2(c3ccc(OC)c(F)c3)CCOCC2)cc(Cl)c1[O-] ZINC000444756611 868988316 /nfs/dbraw/zinc/98/83/16/868988316.db2.gz GBOPCAGEQSCHIO-UHFFFAOYSA-N -1 1 423.868 4.028 20 0 HIADMM COc1ccc(NC(=O)Cc2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)cc1 ZINC000445284914 869335460 /nfs/dbraw/zinc/33/54/60/869335460.db2.gz QHRLNFNMWYEAHY-UHFFFAOYSA-N -1 1 417.421 4.424 20 0 HIADMM COc1ccc(C)cc1Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445388451 869474320 /nfs/dbraw/zinc/47/43/20/869474320.db2.gz CFAJPDYOLRCXLV-UHFFFAOYSA-N -1 1 405.248 4.121 20 0 HIADMM CCC(=O)Nc1cccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1 ZINC000445388660 869474530 /nfs/dbraw/zinc/47/45/30/869474530.db2.gz CYPNSBWFLYXXFP-UHFFFAOYSA-N -1 1 418.247 4.229 20 0 HIADMM COc1cc(-c2noc(-c3ccn(C4CCCC4)n3)n2)cc(Br)c1[O-] ZINC000445394355 869479789 /nfs/dbraw/zinc/47/97/89/869479789.db2.gz QUEGEYFVUSNSHI-UHFFFAOYSA-N -1 1 405.252 4.192 20 0 HIADMM COc1ccc(/C=C/c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000445395286 869481362 /nfs/dbraw/zinc/48/13/62/869481362.db2.gz WSWFSXFXTOQGSS-VMPITWQZSA-N -1 1 403.232 4.392 20 0 HIADMM CCC(=O)c1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000445397233 869483040 /nfs/dbraw/zinc/48/30/40/869483040.db2.gz FKWWTIXCKATBIJ-UHFFFAOYSA-N -1 1 403.232 4.473 20 0 HIADMM CCOc1cc(-c2noc(Cc3c(CC)noc3CC)n2)cc(Br)c1[O-] ZINC000445422909 869506215 /nfs/dbraw/zinc/50/62/15/869506215.db2.gz HTYRLXBQCKLIHW-UHFFFAOYSA-N -1 1 422.279 4.307 20 0 HIADMM CCOc1cc(-c2noc(CCSc3ccccn3)n2)cc(Br)c1[O-] ZINC000445429243 869513233 /nfs/dbraw/zinc/51/32/33/869513233.db2.gz BOTIRBPHMYCHJB-UHFFFAOYSA-N -1 1 422.304 4.333 20 0 HIADMM O=C(CCc1nc(-c2ccc([O-])cc2Cl)no1)N1CCSc2ccccc21 ZINC000445446590 869527450 /nfs/dbraw/zinc/52/74/50/869527450.db2.gz MKALBKFFZMVLLF-UHFFFAOYSA-N -1 1 401.875 4.167 20 0 HIADMM [O-]c1ccc(-c2noc(-c3ccc(OCC(F)(F)C(F)F)nc3)n2)c(Cl)c1 ZINC000445447153 869527484 /nfs/dbraw/zinc/52/74/84/869527484.db2.gz RFKITRBHHPQXTF-UHFFFAOYSA-N -1 1 403.719 4.437 20 0 HIADMM COc1ccc([C@H]2[C@H](c3nc(-c4ccc([O-])cc4Cl)no3)CCC(=O)N2C)cc1 ZINC000445451918 869530831 /nfs/dbraw/zinc/53/08/31/869530831.db2.gz MGJRQFBQCDHNFH-APWZRJJASA-N -1 1 413.861 4.181 20 0 HIADMM COc1cc(F)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1F ZINC000468369286 882311995 /nfs/dbraw/zinc/31/19/95/882311995.db2.gz ZNXDXPQJQUYEDZ-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM O=C1[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000445473858 869546123 /nfs/dbraw/zinc/54/61/23/869546123.db2.gz OHXLIGVNTYMOMI-NSHDSACASA-N -1 1 408.216 4.409 20 0 HIADMM CN(Cc1ccccc1)C(=O)N1CCC(c2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000445476670 869550433 /nfs/dbraw/zinc/55/04/33/869550433.db2.gz GTLLCEGZGSKYPO-UHFFFAOYSA-N -1 1 410.449 4.013 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)C2(c3nc(-c4ccc([O-])c(F)c4)no3)CCCC2)c1 ZINC000445480427 869553056 /nfs/dbraw/zinc/55/30/56/869553056.db2.gz KJLRISCWMYUMOD-UHFFFAOYSA-N -1 1 416.474 4.441 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(C3CCSCC3)no2)cc1 ZINC000445538236 869594302 /nfs/dbraw/zinc/59/43/02/869594302.db2.gz JITPDQYQVVVFIS-UHFFFAOYSA-N -1 1 401.513 4.148 20 0 HIADMM Cc1ccc(-c2nc(-c3cocn3)no2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000445558952 869616278 /nfs/dbraw/zinc/61/62/78/869616278.db2.gz QPYUTCLFYURSBW-UHFFFAOYSA-N -1 1 416.846 4.154 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccc(Cl)o3)no2)c(O)c1)c1cccs1 ZINC000445601089 869666280 /nfs/dbraw/zinc/66/62/80/869666280.db2.gz PBRKSSYBDLAQCM-UHFFFAOYSA-N -1 1 423.859 4.218 20 0 HIADMM CSc1cccnc1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000445621244 869684509 /nfs/dbraw/zinc/68/45/09/869684509.db2.gz SQISETBFTGPIRM-UHFFFAOYSA-N -1 1 424.507 4.321 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)c(=O)[n-]1 ZINC000468384781 882328105 /nfs/dbraw/zinc/32/81/05/882328105.db2.gz SJJUINQGMAMRKX-QGZVFWFLSA-N -1 1 409.502 4.327 20 0 HIADMM O=C(CCSc1ccccn1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000445768188 869811534 /nfs/dbraw/zinc/81/15/34/869811534.db2.gz VQVCUHRQIXNWDI-UHFFFAOYSA-N -1 1 413.524 4.003 20 0 HIADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(Cc2nncn2-c2ccccc2)no1 ZINC000446003966 869967865 /nfs/dbraw/zinc/96/78/65/869967865.db2.gz SAPNSGQVJZICKW-UHFFFAOYSA-N -1 1 411.421 4.406 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C(C)C)C3)cc2)cc1 ZINC000446519015 870437854 /nfs/dbraw/zinc/43/78/54/870437854.db2.gz SNHJGGUTRDKYAD-GOSISDBHSA-N -1 1 416.543 4.004 20 0 HIADMM CC[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000446602575 870508719 /nfs/dbraw/zinc/50/87/19/870508719.db2.gz UHKKUTWFLAKFIU-ZDUSSCGKSA-N -1 1 410.898 4.152 20 0 HIADMM O=S(=O)([N-]c1ccc(C2CCC2)cc1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000447274374 871165163 /nfs/dbraw/zinc/16/51/63/871165163.db2.gz LENAATGDUJBIEU-OAHLLOKOSA-N -1 1 405.491 4.309 20 0 HIADMM O=C1CSc2ccc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)cc2N1 ZINC000447340597 871237202 /nfs/dbraw/zinc/23/72/02/871237202.db2.gz AVWZMQXDOJSVQL-UHFFFAOYSA-N -1 1 404.900 4.338 20 0 HIADMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000447343089 871242257 /nfs/dbraw/zinc/24/22/57/871242257.db2.gz XOCYNWYMXVLTIK-UHFFFAOYSA-N -1 1 414.914 4.495 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)ccc1NC(C)=O ZINC000447344484 871244204 /nfs/dbraw/zinc/24/42/04/871244204.db2.gz ZIGUMPXWNZRJOP-UHFFFAOYSA-N -1 1 404.875 4.261 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@@H](c3ccccc3)C(C)C)c2)n1 ZINC000447680348 871610560 /nfs/dbraw/zinc/61/05/60/871610560.db2.gz OCNGUJKVYYSLDE-HXUWFJFHSA-N -1 1 420.513 4.095 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccncc2)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000447781997 871712195 /nfs/dbraw/zinc/71/21/95/871712195.db2.gz WDTBGSYLKXMHGV-UHFFFAOYSA-N -1 1 410.373 4.415 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)ccc1C(F)(F)F ZINC000447792628 871725566 /nfs/dbraw/zinc/72/55/66/871725566.db2.gz XQRHMOIOWJVOME-UHFFFAOYSA-N -1 1 415.311 4.255 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)ccc1C(F)(F)F ZINC000447791761 871726984 /nfs/dbraw/zinc/72/69/84/871726984.db2.gz NETGJMFISFOEJG-UHFFFAOYSA-N -1 1 412.389 4.478 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)ccc1C(F)(F)F ZINC000447796297 871732724 /nfs/dbraw/zinc/73/27/24/871732724.db2.gz UOBFHGYYQROJSN-UHFFFAOYSA-N -1 1 422.812 4.127 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447795616 871732763 /nfs/dbraw/zinc/73/27/63/871732763.db2.gz QACVJMADKRQKIC-UHFFFAOYSA-N -1 1 424.400 4.202 20 0 HIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC000468543045 882581595 /nfs/dbraw/zinc/58/15/95/882581595.db2.gz NEIKKHGBPQZRQL-MRXNPFEDSA-N -1 1 412.515 4.007 20 0 HIADMM COCCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC1 ZINC000448402014 872351390 /nfs/dbraw/zinc/35/13/90/872351390.db2.gz OBYSXPXFMOEVOP-UHFFFAOYSA-N -1 1 422.934 4.204 20 0 HIADMM COc1cc(C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)cc(Cl)c1[O-] ZINC000460193422 872764282 /nfs/dbraw/zinc/76/42/82/872764282.db2.gz CHBBSZLASFUNHM-HXUWFJFHSA-N -1 1 421.884 4.460 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cnn1-c1ccc(Cl)cc1 ZINC000460423714 873084478 /nfs/dbraw/zinc/08/44/78/873084478.db2.gz CZDIEFMGJPVHTK-UHFFFAOYSA-N -1 1 400.262 4.427 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCOCC1 ZINC000460442012 873109685 /nfs/dbraw/zinc/10/96/85/873109685.db2.gz ZVADGPWBXZPUSD-UHFFFAOYSA-N -1 1 408.951 4.275 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(SCCC(=O)[O-])c1 ZINC000460452229 873127781 /nfs/dbraw/zinc/12/77/81/873127781.db2.gz WTZZXFRDLVRSCD-UHFFFAOYSA-N -1 1 419.446 4.381 20 0 HIADMM Cc1ccc(NC(=O)CNc2c(C)cccc2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000460719804 873516283 /nfs/dbraw/zinc/51/62/83/873516283.db2.gz NTNBFZGAVSNCDD-UHFFFAOYSA-N -1 1 423.538 4.463 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCCC2)c1 ZINC000460838576 873727174 /nfs/dbraw/zinc/72/71/74/873727174.db2.gz WVFZYQMRGIFCQM-UHFFFAOYSA-N -1 1 400.544 4.411 20 0 HIADMM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460841930 873731859 /nfs/dbraw/zinc/73/18/59/873731859.db2.gz IWQHKMICQYWFAO-UHFFFAOYSA-N -1 1 418.534 4.424 20 0 HIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)[C@H]1C1CC1 ZINC000460966391 873862992 /nfs/dbraw/zinc/86/29/92/873862992.db2.gz WHLJZWWWHOLMND-IBGZPJMESA-N -1 1 420.481 4.026 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000460986049 873874065 /nfs/dbraw/zinc/87/40/65/873874065.db2.gz ZEJINNXOBHQZOF-FQEVSTJZSA-N -1 1 416.518 4.196 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc(CSC(C)C)c1C ZINC000461008789 873883040 /nfs/dbraw/zinc/88/30/40/873883040.db2.gz SNCGNFSFZDNXSS-UHFFFAOYSA-N -1 1 422.554 4.272 20 0 HIADMM COC(=O)c1csc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Br)c1 ZINC000461116714 874040999 /nfs/dbraw/zinc/04/09/99/874040999.db2.gz YGFBAVDAUCFNQD-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1 ZINC000461358137 874359685 /nfs/dbraw/zinc/35/96/85/874359685.db2.gz BIAPAOGJGDKQBG-UHFFFAOYSA-N -1 1 406.479 4.079 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000461370082 874374007 /nfs/dbraw/zinc/37/40/07/874374007.db2.gz IYZFODCXTZZEJQ-UHFFFAOYSA-N -1 1 406.479 4.161 20 0 HIADMM O=C(Nc1cc(C2CC2)ccn1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000461421325 874447348 /nfs/dbraw/zinc/44/73/48/874447348.db2.gz HKUSZMAZAJXFQK-UHFFFAOYSA-N -1 1 418.678 4.469 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C4CC4)ccn3)c2)cc1 ZINC000461424749 874455177 /nfs/dbraw/zinc/45/51/77/874455177.db2.gz IEMOAUMINFREPA-UHFFFAOYSA-N -1 1 423.494 4.021 20 0 HIADMM CCCC[C@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000461426572 874461039 /nfs/dbraw/zinc/46/10/39/874461039.db2.gz OANACJVTASQXDG-AWEZNQCLSA-N -1 1 410.486 4.416 20 0 HIADMM CC(C)C1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000461449492 874510103 /nfs/dbraw/zinc/51/01/03/874510103.db2.gz QSWKYEZOLCKGOC-UHFFFAOYSA-N -1 1 418.534 4.064 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000461487056 874549593 /nfs/dbraw/zinc/54/95/93/874549593.db2.gz GUQCWLQFUUPGLC-KKSFZXQISA-N -1 1 416.518 4.340 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000468745958 882839471 /nfs/dbraw/zinc/83/94/71/882839471.db2.gz XCEIUPGNEDELOW-FGZHOGPDSA-N -1 1 416.525 4.486 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H]4CCC[C@H]43)c2)cc1F ZINC000461493720 874562402 /nfs/dbraw/zinc/56/24/02/874562402.db2.gz IHDAGJFJGFDPBI-IIBYNOLFSA-N -1 1 416.518 4.340 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nc1-c1ccccc1 ZINC000461797140 874912082 /nfs/dbraw/zinc/91/20/82/874912082.db2.gz KAJJDJNZIVXYHT-CQSZACIVSA-N -1 1 417.918 4.148 20 0 HIADMM COC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000462302770 875424369 /nfs/dbraw/zinc/42/43/69/875424369.db2.gz ZWJISJVTSARYIV-CABCVRRESA-N -1 1 424.950 4.306 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CCCOC)C3)cc1 ZINC000462375863 875487554 /nfs/dbraw/zinc/48/75/54/875487554.db2.gz GETVYDCUWKELHL-QGZVFWFLSA-N -1 1 402.560 4.353 20 0 HIADMM Cc1nc(-c2ccc(NCc3nn(-c4ccccc4)c4c3CCC4)nc2)[n-]c(=O)c1C ZINC000462382415 875495113 /nfs/dbraw/zinc/49/51/13/875495113.db2.gz AIALLKAFAPHCOV-UHFFFAOYSA-N -1 1 412.497 4.148 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)on1 ZINC000462394759 875504399 /nfs/dbraw/zinc/50/43/99/875504399.db2.gz OHFIGITYZMPLNR-UHFFFAOYSA-N -1 1 407.319 4.372 20 0 HIADMM O=S(=O)([N-]C1CC(c2cccc(Cl)c2)C1)c1sccc1Br ZINC000462421280 875529281 /nfs/dbraw/zinc/52/92/81/875529281.db2.gz OLGFUMPPCUOETC-UHFFFAOYSA-N -1 1 406.754 4.389 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000462655085 875761139 /nfs/dbraw/zinc/76/11/39/875761139.db2.gz JDEVMMYFXGJRPK-VIFPVBQESA-N -1 1 416.261 4.222 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1nc(C(C)(C)C)no1 ZINC000462686776 875778154 /nfs/dbraw/zinc/77/81/54/875778154.db2.gz YFZFXQJUDJIOKG-MRVPVSSYSA-N -1 1 411.833 4.079 20 0 HIADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)Oc1ccc(F)cc1 ZINC000462704770 875789779 /nfs/dbraw/zinc/78/97/79/875789779.db2.gz UCJHAXGGWVENDN-JTQLQIEISA-N -1 1 411.804 4.244 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000462715834 875795923 /nfs/dbraw/zinc/79/59/23/875795923.db2.gz WUEAMWFDTJQRSB-LBPRGKRZSA-N -1 1 408.889 4.278 20 0 HIADMM CC[C@H](CN(C)C(=O)c1nc2ccccc2c(=O)[n-]1)Oc1ccc(Cl)c(Cl)c1 ZINC000468927057 882988036 /nfs/dbraw/zinc/98/80/36/882988036.db2.gz JRWAMGISRMAXNX-GFCCVEGCSA-N -1 1 420.296 4.160 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(-c3ncsc3Cl)no2)cc1 ZINC000463160223 876214485 /nfs/dbraw/zinc/21/44/85/876214485.db2.gz DJZXZOITXHACOE-UHFFFAOYSA-N -1 1 418.887 4.314 20 0 HIADMM O=C(CCC(F)(F)F)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000463235420 876292127 /nfs/dbraw/zinc/29/21/27/876292127.db2.gz DHMGUJGFYFBFMA-UHFFFAOYSA-N -1 1 406.813 4.422 20 0 HIADMM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000463523114 876590200 /nfs/dbraw/zinc/59/02/00/876590200.db2.gz YDCVGWPQNVENSP-UHFFFAOYSA-N -1 1 405.278 4.072 20 0 HIADMM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000463858007 876978380 /nfs/dbraw/zinc/97/83/80/876978380.db2.gz SMWHXZKIYZDKRC-UHFFFAOYSA-N -1 1 416.402 4.078 20 0 HIADMM COc1cccc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1 ZINC000469017413 883084845 /nfs/dbraw/zinc/08/48/45/883084845.db2.gz SCJBXYBFJHCUKM-UHFFFAOYSA-N -1 1 407.651 4.205 20 0 HIADMM O=S(=O)([N-]Cc1cccc(COCC(F)(F)F)c1)c1c(F)cccc1Cl ZINC000464207528 877376656 /nfs/dbraw/zinc/37/66/56/877376656.db2.gz AUQQSGWBZCSJGH-UHFFFAOYSA-N -1 1 411.804 4.037 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CC(F)(F)F)cc2)ccc1F ZINC000464273324 877457720 /nfs/dbraw/zinc/45/77/20/877457720.db2.gz RREUMCPCUQQBOX-LBPRGKRZSA-N -1 1 418.412 4.006 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[C@@H]1c1ccccc1 ZINC000464515527 877738049 /nfs/dbraw/zinc/73/80/49/877738049.db2.gz DHNKUDLBCNXTGV-ZHRRBRCNSA-N -1 1 424.497 4.460 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000464697757 877913206 /nfs/dbraw/zinc/91/32/06/877913206.db2.gz BKNKYCFOLRWLKN-QGZVFWFLSA-N -1 1 420.600 4.366 20 0 HIADMM CC[C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)O1 ZINC000464863472 878145677 /nfs/dbraw/zinc/14/56/77/878145677.db2.gz TVYIDHXKMKVULQ-SJLPKXTDSA-N -1 1 408.907 4.037 20 0 HIADMM CC[C@H]1CCC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000465027716 878392202 /nfs/dbraw/zinc/39/22/02/878392202.db2.gz BUWTVYUUEKAXLJ-DJJJIMSYSA-N -1 1 408.470 4.074 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc2cnccc21 ZINC000465032756 878397204 /nfs/dbraw/zinc/39/72/04/878397204.db2.gz HKVUAQHMJYDYRF-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CC[C@@H]1CCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000465039054 878401055 /nfs/dbraw/zinc/40/10/55/878401055.db2.gz WQIGWBJXOYACRN-BFUOFWGJSA-N -1 1 408.470 4.074 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000465267390 878697836 /nfs/dbraw/zinc/69/78/36/878697836.db2.gz XYQJWACXJSPCGQ-HSZRJFAPSA-N -1 1 410.493 4.171 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000465291595 878730236 /nfs/dbraw/zinc/73/02/36/878730236.db2.gz ORPYFOXHCMSYNL-BBRMVZONSA-N -1 1 408.470 4.026 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000465293150 878731473 /nfs/dbraw/zinc/73/14/73/878731473.db2.gz YDIGQNXACXDVCU-KBXCAEBGSA-N -1 1 404.507 4.196 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000465297694 878740628 /nfs/dbraw/zinc/74/06/28/878740628.db2.gz VTLYDSSKSDSMNL-OXJNMPFZSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(Oc4ccncc4)c3)cc2F)c1 ZINC000466275297 880013781 /nfs/dbraw/zinc/01/37/81/880013781.db2.gz VUPDOUPOKIFDAH-UHFFFAOYSA-N -1 1 424.457 4.308 20 0 HIADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466957973 880742189 /nfs/dbraw/zinc/74/21/89/880742189.db2.gz OXFIPKOHYHIGGO-LBPRGKRZSA-N -1 1 419.396 4.061 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cccc4cc[nH]c43)c2)c1 ZINC000467030398 880829385 /nfs/dbraw/zinc/82/93/85/880829385.db2.gz DVOSGQBVKWIZAQ-UHFFFAOYSA-N -1 1 419.506 4.207 20 0 HIADMM CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000467080908 880853086 /nfs/dbraw/zinc/85/30/86/880853086.db2.gz ITNCERIHZHCYCV-UHFFFAOYSA-N -1 1 401.528 4.250 20 0 HIADMM CCOC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467197447 880926770 /nfs/dbraw/zinc/92/67/70/880926770.db2.gz OIEQZIZVDOBZGA-UHFFFAOYSA-N -1 1 423.494 4.065 20 0 HIADMM Cc1c(=O)[n-]c(SCCCS(=O)(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000467203949 880932710 /nfs/dbraw/zinc/93/27/10/880932710.db2.gz BVYQGCQRLDRVST-UHFFFAOYSA-N -1 1 418.515 4.253 20 0 HIADMM Cc1c(=O)[n-]c(SCCCc2nc(-c3ccncc3)no2)nc1-c1ccccc1 ZINC000467212038 880942345 /nfs/dbraw/zinc/94/23/45/880942345.db2.gz RPPIHLMOWMZEPQ-UHFFFAOYSA-N -1 1 405.483 4.328 20 0 HIADMM CN(Cc1c(-c2ccccc2)nc2ccccn21)Cc1nc(=O)c2sccc2[n-]1 ZINC000467287814 881033965 /nfs/dbraw/zinc/03/39/65/881033965.db2.gz JZSKARFOAFZGSZ-UHFFFAOYSA-N -1 1 401.495 4.344 20 0 HIADMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)ccc2[nH]1 ZINC000467413053 881201966 /nfs/dbraw/zinc/20/19/66/881201966.db2.gz LBIDCXYSIOXXKU-UHFFFAOYSA-N -1 1 420.494 4.380 20 0 HIADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000467416008 881205582 /nfs/dbraw/zinc/20/55/82/881205582.db2.gz DOLLCJMZMHZHDM-UHFFFAOYSA-N -1 1 421.906 4.101 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@]1(C)Cc1ccccc1 ZINC000469233964 883332932 /nfs/dbraw/zinc/33/29/32/883332932.db2.gz AGTMFGOXHKFNOI-RUZDIDTESA-N -1 1 416.525 4.109 20 0 HIADMM COc1cccc(-c2nc(C(=O)[N-]c3cc(Br)c(F)cc3F)no2)c1 ZINC000469507773 883760956 /nfs/dbraw/zinc/76/09/56/883760956.db2.gz BOQRWZLIOVCSOK-UHFFFAOYSA-N -1 1 410.174 4.038 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1nc(C)cs1 ZINC000469575898 883819980 /nfs/dbraw/zinc/81/99/80/883819980.db2.gz DPWCZFZTDJTROO-UHFFFAOYSA-N -1 1 419.503 4.058 20 0 HIADMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000469921693 884112086 /nfs/dbraw/zinc/11/20/86/884112086.db2.gz XJHKCYCIRFUXTM-HNNXBMFYSA-N -1 1 420.840 4.212 20 0 HIADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)c1cc2ccccc2o1 ZINC000470215717 884540819 /nfs/dbraw/zinc/54/08/19/884540819.db2.gz MCQLCLGEAQXJHW-JTQLQIEISA-N -1 1 407.207 4.234 20 0 HIADMM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000470653193 885074785 /nfs/dbraw/zinc/07/47/85/885074785.db2.gz HFVZGGDKBUQNLW-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470711597 885150794 /nfs/dbraw/zinc/15/07/94/885150794.db2.gz NAHOOMQUEDUQHG-CYBMUJFWSA-N -1 1 424.328 4.388 20 0 HIADMM O=S(=O)([N-][C@H](c1c(F)cccc1F)C(F)(F)F)c1cccc2cccnc21 ZINC000503997179 912905607 /nfs/dbraw/zinc/90/56/07/912905607.db2.gz AYCCRHJVLUTLMC-MRXNPFEDSA-N -1 1 402.344 4.095 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCC2(CCCCC2)CC1 ZINC000470901050 885404205 /nfs/dbraw/zinc/40/42/05/885404205.db2.gz VNIHRDKKXCRWFX-UHFFFAOYSA-N -1 1 408.546 4.448 20 0 HIADMM Cc1cc(C)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)[nH]1 ZINC000471172020 885729452 /nfs/dbraw/zinc/72/94/52/885729452.db2.gz DEOJKIRIJTXKQT-UHFFFAOYSA-N -1 1 403.891 4.338 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(c2ccccc2F)C2CCCC2)o1 ZINC000471413988 886068587 /nfs/dbraw/zinc/06/85/87/886068587.db2.gz SVLRZFORSQIIFG-UHFFFAOYSA-N -1 1 408.495 4.085 20 0 HIADMM CC(C)(C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(F)F ZINC000471578120 886289367 /nfs/dbraw/zinc/28/93/67/886289367.db2.gz PDBUEPTZGYAVOA-UHFFFAOYSA-N -1 1 402.850 4.371 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)ccc1F ZINC000471628493 886346270 /nfs/dbraw/zinc/34/62/70/886346270.db2.gz VNXRUUXSMBRTJQ-UHFFFAOYSA-N -1 1 412.442 4.367 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)CC3(C)C)cc2)ccc1F ZINC000471698235 886406148 /nfs/dbraw/zinc/40/61/48/886406148.db2.gz OXGOGIOXNOUKPW-AWEZNQCLSA-N -1 1 404.507 4.196 20 0 HIADMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)n2)cc1 ZINC000471899858 886681091 /nfs/dbraw/zinc/68/10/91/886681091.db2.gz YTMUJBJLORATAV-LBPRGKRZSA-N -1 1 421.906 4.001 20 0 HIADMM Cc1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471918409 886706672 /nfs/dbraw/zinc/70/66/72/886706672.db2.gz LAYJMOXAAZOSPH-HNNXBMFYSA-N -1 1 404.507 4.196 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1Br ZINC000471990040 886816773 /nfs/dbraw/zinc/81/67/73/886816773.db2.gz WEVSGBTVHDSAIC-UHFFFAOYSA-N -1 1 402.335 4.289 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000472007727 886831244 /nfs/dbraw/zinc/83/12/44/886831244.db2.gz FSUCCJSRZPVMRN-UHFFFAOYSA-N -1 1 400.544 4.456 20 0 HIADMM COc1ccccc1[C@H](CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)OC(C)C ZINC000472477946 887340547 /nfs/dbraw/zinc/34/05/47/887340547.db2.gz MKGHSZILQVFTBB-FQEVSTJZSA-N -1 1 408.502 4.448 20 0 HIADMM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472592793 887467554 /nfs/dbraw/zinc/46/75/54/887467554.db2.gz XKFSZLHLLNTJBV-UHFFFAOYSA-N -1 1 419.168 4.097 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3cncs3)cc2)cc1C ZINC000473169455 887946151 /nfs/dbraw/zinc/94/61/51/887946151.db2.gz BMNMCYZMVCTFLY-HNNXBMFYSA-N -1 1 415.540 4.052 20 0 HIADMM Cc1ccc(F)cc1-c1nnc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)s1 ZINC000473410440 888129670 /nfs/dbraw/zinc/12/96/70/888129670.db2.gz MIXFKMSSVULQBK-UHFFFAOYSA-N -1 1 401.467 4.006 20 0 HIADMM Cc1ccc([C@@H]2CCN(C(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)c(C)c1 ZINC000473536657 888274609 /nfs/dbraw/zinc/27/46/09/888274609.db2.gz WSZOJHGGFYOZOX-HXUWFJFHSA-N -1 1 416.525 4.118 20 0 HIADMM CC(C)(C)c1ncsc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000473662941 888417747 /nfs/dbraw/zinc/41/77/47/888417747.db2.gz WYLGFUQCVUACEX-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccccc1Br ZINC000473794497 888611262 /nfs/dbraw/zinc/61/12/62/888611262.db2.gz LHIIOFWWWKKEIR-SSDOTTSWSA-N -1 1 407.211 4.327 20 0 HIADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000473812632 888638253 /nfs/dbraw/zinc/63/82/53/888638253.db2.gz RKFUVQVNTPOUKI-FGTMMUONSA-N -1 1 415.559 4.063 20 0 HIADMM O=S(=O)([N-]CC1(c2ccccc2)CCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000473919326 888801504 /nfs/dbraw/zinc/80/15/04/888801504.db2.gz LJXVCNBWWOAXFT-UHFFFAOYSA-N -1 1 418.317 4.159 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473944821 888820403 /nfs/dbraw/zinc/82/04/03/888820403.db2.gz MROJKCVVTDRUCU-OCCSQVGLSA-N -1 1 404.290 4.331 20 0 HIADMM O=S(=O)([N-]Cc1ncc(-c2ccccc2)cn1)c1ccc(Cl)c(F)c1Cl ZINC000473945952 888821412 /nfs/dbraw/zinc/82/14/12/888821412.db2.gz FXDVHXNCSVKDSM-UHFFFAOYSA-N -1 1 412.273 4.068 20 0 HIADMM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000474086412 888911660 /nfs/dbraw/zinc/91/16/60/888911660.db2.gz CQUHNXXKSLATNG-KGLIPLIRSA-N -1 1 420.918 4.085 20 0 HIADMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000474086413 888912204 /nfs/dbraw/zinc/91/22/04/888912204.db2.gz CQUHNXXKSLATNG-UONOGXRCSA-N -1 1 420.918 4.085 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(-c4nncn4C)cc3)cc2)c1 ZINC000504507686 913297683 /nfs/dbraw/zinc/29/76/83/913297683.db2.gz LERXFFBUBTWGLW-UHFFFAOYSA-N -1 1 420.494 4.384 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2Cl)s1 ZINC000504519891 913304215 /nfs/dbraw/zinc/30/42/15/913304215.db2.gz VYLSSUCUSCZYOS-UHFFFAOYSA-N -1 1 422.963 4.496 20 0 HIADMM COc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1OCc1cccnc1 ZINC000474324937 889193591 /nfs/dbraw/zinc/19/35/91/889193591.db2.gz QSNUHZOHAOSMLN-UHFFFAOYSA-N -1 1 422.485 4.023 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000474350431 889228562 /nfs/dbraw/zinc/22/85/62/889228562.db2.gz KEGVCVBKIDPXQK-UHFFFAOYSA-N -1 1 405.498 4.297 20 0 HIADMM COc1cc(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)ccc1[N-]S(C)(=O)=O ZINC000474489290 889350304 /nfs/dbraw/zinc/35/03/04/889350304.db2.gz ZRBULDDBNLDWNT-OAHLLOKOSA-N -1 1 419.547 4.084 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000474493077 889352961 /nfs/dbraw/zinc/35/29/61/889352961.db2.gz HHENOMKSHHQGKY-UHFFFAOYSA-N -1 1 408.477 4.338 20 0 HIADMM COc1cc([C@@H](C)NC(=O)c2c(C)[n-]c(=O)nc2SC)ccc1OCCC(C)C ZINC000474510482 889374247 /nfs/dbraw/zinc/37/42/47/889374247.db2.gz BISCHEASTMKARE-CYBMUJFWSA-N -1 1 419.547 4.137 20 0 HIADMM CCCCOc1ccc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1OC ZINC000474521319 889391491 /nfs/dbraw/zinc/39/14/91/889391491.db2.gz MXDPYQQAEZIKIV-CQSZACIVSA-N -1 1 415.534 4.467 20 0 HIADMM C[C@H]1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000474535101 889408493 /nfs/dbraw/zinc/40/84/93/889408493.db2.gz IIOWXXPLBLQVAM-DOTOQJQBSA-N -1 1 404.507 4.069 20 0 HIADMM CCS[C@@H](C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(C)C ZINC000474534652 889408693 /nfs/dbraw/zinc/40/86/93/889408693.db2.gz NRPSTMDZINJNKL-LJQANCHMSA-N -1 1 424.563 4.020 20 0 HIADMM CCCCCOc1ccc([C@H](C)NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1OC ZINC000474543956 889419570 /nfs/dbraw/zinc/41/95/70/889419570.db2.gz PCHRJMHQRGOLCM-ZDUSSCGKSA-N -1 1 419.547 4.281 20 0 HIADMM Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1F ZINC000474544296 889420916 /nfs/dbraw/zinc/42/09/16/889420916.db2.gz BMCXADRIRQXXKH-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000474706644 889565113 /nfs/dbraw/zinc/56/51/13/889565113.db2.gz SNVPWZKPKWTQFH-SNVBAGLBSA-N -1 1 400.529 4.135 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000474754555 889613231 /nfs/dbraw/zinc/61/32/31/889613231.db2.gz SHTPKBCXUVFYKH-GXTWGEPZSA-N -1 1 407.967 4.449 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000474754558 889613282 /nfs/dbraw/zinc/61/32/82/889613282.db2.gz SHTPKBCXUVFYKH-TZMCWYRMSA-N -1 1 407.967 4.449 20 0 HIADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000474771633 889628771 /nfs/dbraw/zinc/62/87/71/889628771.db2.gz BIYRPPFWFOUIRW-NVXWUHKLSA-N -1 1 420.506 4.160 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNc2cnc3ccccc3n2)cc1 ZINC000474784031 889642325 /nfs/dbraw/zinc/64/23/25/889642325.db2.gz NRAXDMMAVXGKNO-UHFFFAOYSA-N -1 1 408.458 4.182 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNc2ncc(Cl)cc2F)cc1 ZINC000474785647 889643425 /nfs/dbraw/zinc/64/34/25/889643425.db2.gz MKRTXERABYOECP-UHFFFAOYSA-N -1 1 409.845 4.426 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000474825659 889679493 /nfs/dbraw/zinc/67/94/93/889679493.db2.gz NOGDGUJZVSBSEA-LLVKDONJSA-N -1 1 411.424 4.220 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC000474825654 889679606 /nfs/dbraw/zinc/67/96/06/889679606.db2.gz NMYFVCZSMMDNRM-UHFFFAOYSA-N -1 1 418.469 4.366 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000474825660 889679782 /nfs/dbraw/zinc/67/97/82/889679782.db2.gz NOGDGUJZVSBSEA-NSHDSACASA-N -1 1 411.424 4.220 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000474830060 889688496 /nfs/dbraw/zinc/68/84/96/889688496.db2.gz LSFJIPWDMQTXLN-UHFFFAOYSA-N -1 1 420.947 4.228 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000475391752 890320181 /nfs/dbraw/zinc/32/01/81/890320181.db2.gz GUEQNXYDNAJRNH-KRWDZBQOSA-N -1 1 423.922 4.089 20 0 HIADMM CN(C)Cc1cnc(/C=C\c2cc(C(=O)[O-])c3cc(Br)ccc3n2)s1 ZINC000504712151 913445850 /nfs/dbraw/zinc/44/58/50/913445850.db2.gz MZIGSWGAKGMXFQ-XQRVVYSFSA-N -1 1 418.316 4.384 20 0 HIADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000475543984 890469158 /nfs/dbraw/zinc/46/91/58/890469158.db2.gz SCCFJLWMPYXTJW-JOCHJYFZSA-N -1 1 416.525 4.466 20 0 HIADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000475651880 890595682 /nfs/dbraw/zinc/59/56/82/890595682.db2.gz DWGIUNDIAFMUMS-RTBURBONSA-N -1 1 418.584 4.234 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1nc(C(F)(F)F)cs1 ZINC000475759505 890706591 /nfs/dbraw/zinc/70/65/91/890706591.db2.gz QTDIMNRNUIIFQP-SNVBAGLBSA-N -1 1 400.394 4.178 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c(Br)c1 ZINC000475809256 890744904 /nfs/dbraw/zinc/74/49/04/890744904.db2.gz VAMQZYXHWKVBAL-UHFFFAOYSA-N -1 1 414.321 4.184 20 0 HIADMM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)c2)o1 ZINC000475813260 890747629 /nfs/dbraw/zinc/74/76/29/890747629.db2.gz HGIGUHDERKYKFU-UHFFFAOYSA-N -1 1 419.524 4.076 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cccc1NC(=O)N(C)C ZINC000475825510 890759200 /nfs/dbraw/zinc/75/92/00/890759200.db2.gz GOGYFCXOTQRIIL-UHFFFAOYSA-N -1 1 403.548 4.478 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2csc(C)n2)cc1OC ZINC000475827953 890762804 /nfs/dbraw/zinc/76/28/04/890762804.db2.gz KKKHPRMOGIDQHG-UHFFFAOYSA-N -1 1 404.513 4.245 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2-c2csc(C)n2)ccc1C ZINC000475830241 890764014 /nfs/dbraw/zinc/76/40/14/890764014.db2.gz KCCXHUXAZCRGGC-UHFFFAOYSA-N -1 1 401.513 4.186 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(-c4cccnc4)ccc3C)cc2)CC1 ZINC000475839559 890772476 /nfs/dbraw/zinc/77/24/76/890772476.db2.gz YMZPBQUUBIZKBM-UHFFFAOYSA-N -1 1 422.506 4.062 20 0 HIADMM CSC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC1 ZINC000476030651 890962837 /nfs/dbraw/zinc/96/28/37/890962837.db2.gz GZPLILMOMOGTLK-UHFFFAOYSA-N -1 1 410.948 4.283 20 0 HIADMM O=S(=O)([N-]c1cc(-c2cc(F)cc(F)c2)n[nH]1)c1ccccc1C(F)(F)F ZINC000476077916 891003368 /nfs/dbraw/zinc/00/33/68/891003368.db2.gz HLTPYRVBVLFHAG-UHFFFAOYSA-N -1 1 403.332 4.175 20 0 HIADMM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000476245779 891170586 /nfs/dbraw/zinc/17/05/86/891170586.db2.gz GPIGYCSTXADFJR-UHFFFAOYSA-N -1 1 408.676 4.359 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)ccc1Br ZINC000476250149 891173636 /nfs/dbraw/zinc/17/36/36/891173636.db2.gz OYZQISCJHLGISJ-UHFFFAOYSA-N -1 1 423.288 4.277 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)cc2)o1 ZINC000476388031 891303133 /nfs/dbraw/zinc/30/31/33/891303133.db2.gz KHHHIPUKEPLHNH-UHFFFAOYSA-N -1 1 411.405 4.427 20 0 HIADMM Cc1c(COc2ccccc2)cccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000476398707 891315051 /nfs/dbraw/zinc/31/50/51/891315051.db2.gz PLXFERRWDFWKNK-UHFFFAOYSA-N -1 1 411.479 4.146 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000476409232 891323639 /nfs/dbraw/zinc/32/36/39/891323639.db2.gz KACGUAVFWQIKGQ-UHFFFAOYSA-N -1 1 408.838 4.434 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc(C)c1F ZINC000476426923 891339214 /nfs/dbraw/zinc/33/92/14/891339214.db2.gz VGNJPGNZLVGAQV-UHFFFAOYSA-N -1 1 404.438 4.356 20 0 HIADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000476544921 891460682 /nfs/dbraw/zinc/46/06/82/891460682.db2.gz KQYCWFVNOGRJEH-OAGGEKHMSA-N -1 1 404.507 4.133 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCC12CCC2 ZINC000477377823 892337996 /nfs/dbraw/zinc/33/79/96/892337996.db2.gz NFRVTYXHEWQOOJ-UHFFFAOYSA-N -1 1 424.444 4.275 20 0 HIADMM Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)n1 ZINC000477444775 892394567 /nfs/dbraw/zinc/39/45/67/892394567.db2.gz PQHKJHMQFUQQTO-UHFFFAOYSA-N -1 1 410.421 4.012 20 0 HIADMM CC[C@H](C)n1ncc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1C1CC1 ZINC000477563807 892618432 /nfs/dbraw/zinc/61/84/32/892618432.db2.gz NEIJTCJDHBDVDC-AWEZNQCLSA-N -1 1 420.517 4.169 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc4c3CCO4)cc2)cc1C ZINC000477740878 892836698 /nfs/dbraw/zinc/83/66/98/892836698.db2.gz CLJVBJWBOBEXAN-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM CC(=O)N(c1nc(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cs1)c1ccc(C)cc1 ZINC000477827112 892891194 /nfs/dbraw/zinc/89/11/94/892891194.db2.gz UHGXUQIZDVADGN-UXPWSPDFSA-N -1 1 413.543 4.354 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3cnccc3C)ccc2C)c1 ZINC000477891906 892957308 /nfs/dbraw/zinc/95/73/08/892957308.db2.gz ZMKXATBIJFQXGB-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000504978831 913721829 /nfs/dbraw/zinc/72/18/29/913721829.db2.gz JUKVTQVZHUGJNB-UHFFFAOYSA-N -1 1 413.948 4.246 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000504979261 913724051 /nfs/dbraw/zinc/72/40/51/913724051.db2.gz MWMPNZAVQAUUCO-UHFFFAOYSA-N -1 1 413.948 4.246 20 0 HIADMM COC(=O)c1cc(F)cc([N-]C(=O)c2cc3sc(N4CCCC4)nc3s2)c1F ZINC000478078084 893240817 /nfs/dbraw/zinc/24/08/17/893240817.db2.gz CMVHUMZGTVGZES-UHFFFAOYSA-N -1 1 423.466 4.275 20 0 HIADMM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)n2)cc1 ZINC000505009009 913751487 /nfs/dbraw/zinc/75/14/87/913751487.db2.gz MPGOJIJOKYPZNQ-LBPRGKRZSA-N -1 1 411.405 4.103 20 0 HIADMM CCN(CC1CCC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000478274356 893471929 /nfs/dbraw/zinc/47/19/29/893471929.db2.gz CKTXXDFSXUQXRE-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CC[C@H](C)c1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cn1 ZINC000478284514 893490045 /nfs/dbraw/zinc/49/00/45/893490045.db2.gz UVTZIHJTJSRVLE-HNNXBMFYSA-N -1 1 410.499 4.043 20 0 HIADMM COc1ccccc1CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478344784 893587951 /nfs/dbraw/zinc/58/79/51/893587951.db2.gz UGPIPKYHFJVYSD-UHFFFAOYSA-N -1 1 424.522 4.376 20 0 HIADMM COCc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000478408115 893696150 /nfs/dbraw/zinc/69/61/50/893696150.db2.gz VAOCDPVVKMZZAA-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM CCn1nc(C(C)C)cc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478433361 893734638 /nfs/dbraw/zinc/73/46/38/893734638.db2.gz YOTUSTGBRAUJSP-UHFFFAOYSA-N -1 1 412.515 4.080 20 0 HIADMM COc1cc(C(=O)N2CCc3cc(Br)cc(F)c3C2)cc(Cl)c1[O-] ZINC000478533151 893835474 /nfs/dbraw/zinc/83/54/74/893835474.db2.gz ZORDOZFNJKVENC-UHFFFAOYSA-N -1 1 414.658 4.154 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1-c1cnn(C)c1 ZINC000478683122 893938104 /nfs/dbraw/zinc/93/81/04/893938104.db2.gz WNFAJQFHZMHKKO-UHFFFAOYSA-N -1 1 424.295 4.098 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1OC(F)F ZINC000479037701 894298376 /nfs/dbraw/zinc/29/83/76/894298376.db2.gz AZORYJVEHQYFKQ-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM CN(Cc1cscn1)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000479280928 894558899 /nfs/dbraw/zinc/55/88/99/894558899.db2.gz JUMYTWRJLBBWMQ-UHFFFAOYSA-N -1 1 407.948 4.229 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](C)C(F)(F)F)c1 ZINC000479392395 894696015 /nfs/dbraw/zinc/69/60/15/894696015.db2.gz JMGPTUOGBOHOQU-CQSZACIVSA-N -1 1 414.449 4.032 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](C)[C@@H]3CC)c2)cc1 ZINC000479401888 894706746 /nfs/dbraw/zinc/70/67/46/894706746.db2.gz IYOWKNUZYAZCMT-KKSFZXQISA-N -1 1 416.543 4.147 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c(=O)[n-]1 ZINC000479426203 894737723 /nfs/dbraw/zinc/73/77/23/894737723.db2.gz PDTFZIRVPJKFOO-KRWDZBQOSA-N -1 1 401.507 4.037 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2cscn2)c1)c1ccc2ncsc2c1 ZINC000479491679 894811974 /nfs/dbraw/zinc/81/19/74/894811974.db2.gz WMAKVTLHNRINPI-UHFFFAOYSA-N -1 1 403.510 4.133 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1ccc2ncsc2c1 ZINC000479519553 894830696 /nfs/dbraw/zinc/83/06/96/894830696.db2.gz WMRWRABZEGWODT-UHFFFAOYSA-N -1 1 412.521 4.473 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cc1F ZINC000479547076 894847460 /nfs/dbraw/zinc/84/74/60/894847460.db2.gz ALBROYRRAVHSMY-UHFFFAOYSA-N -1 1 408.676 4.359 20 0 HIADMM COc1cc(S(=O)(=O)Nc2ccc3oc(C)c(C)c3c2)c(Cl)cc1C(=O)[O-] ZINC000479558727 894856802 /nfs/dbraw/zinc/85/68/02/894856802.db2.gz OSWCWYBPDSOXQE-UHFFFAOYSA-N -1 1 409.847 4.211 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)ccc1C1CC1 ZINC000479573709 894867035 /nfs/dbraw/zinc/86/70/35/894867035.db2.gz AZABBNLMYQSAGA-HNNXBMFYSA-N -1 1 405.491 4.228 20 0 HIADMM COc1cc(NC(=O)c2ccccc2NC2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000479678675 894961941 /nfs/dbraw/zinc/96/19/41/894961941.db2.gz UWGVNTWZZLIWMP-UHFFFAOYSA-N -1 1 417.531 4.064 20 0 HIADMM CC(C)(CC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C(F)(F)F ZINC000479938775 895290106 /nfs/dbraw/zinc/29/01/06/895290106.db2.gz KKWUOASKZAYGQJ-UHFFFAOYSA-N -1 1 414.449 4.082 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1Cl ZINC000480207828 895611565 /nfs/dbraw/zinc/61/15/65/895611565.db2.gz GPWXUNIZIDOWOP-UHFFFAOYSA-N -1 1 406.813 4.204 20 0 HIADMM CCCCn1ncc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1C(C)C ZINC000480234791 895640493 /nfs/dbraw/zinc/64/04/93/895640493.db2.gz WHQBCIBULKDQTR-UHFFFAOYSA-N -1 1 421.563 4.160 20 0 HIADMM O=S(=O)([N-]CC1(C(F)F)CC1)c1ccc(Br)c(Cl)c1Cl ZINC000480425533 895820986 /nfs/dbraw/zinc/82/09/86/895820986.db2.gz FOOOQEGQJRQYMZ-UHFFFAOYSA-N -1 1 409.079 4.080 20 0 HIADMM [O-]C(=Cc1c[nH]c2cc(Br)ccc12)Nc1nc(-c2ccccc2)ns1 ZINC000480667428 896033182 /nfs/dbraw/zinc/03/31/82/896033182.db2.gz TXCNENFGGMTASU-UHFFFAOYSA-N -1 1 413.300 4.052 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)ccc1[O-] ZINC000480730842 896091442 /nfs/dbraw/zinc/09/14/42/896091442.db2.gz QJZZXPXMIHKDEZ-UHFFFAOYSA-N -1 1 412.467 4.252 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000480980812 896316891 /nfs/dbraw/zinc/31/68/91/896316891.db2.gz OINPROXBNWITCE-UHFFFAOYSA-N -1 1 406.479 4.161 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@@H](C3CC3)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000480999076 896330735 /nfs/dbraw/zinc/33/07/35/896330735.db2.gz KSPPXUHVKAIFHZ-QGZVFWFLSA-N -1 1 418.946 4.321 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000481076944 896395970 /nfs/dbraw/zinc/39/59/70/896395970.db2.gz MDNBDQUZRVASTE-MRXNPFEDSA-N -1 1 404.919 4.013 20 0 HIADMM Cc1ccc(NC(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000481404387 896810811 /nfs/dbraw/zinc/81/08/11/896810811.db2.gz RAEWBRQXQXNXLR-UHFFFAOYSA-N -1 1 409.511 4.460 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000481584977 896964998 /nfs/dbraw/zinc/96/49/98/896964998.db2.gz LMGNIYSTBXGBRB-UHFFFAOYSA-N -1 1 415.331 4.103 20 0 HIADMM O=S(=O)([N-]C1CC(F)(c2cccc(Cl)c2)C1)c1sccc1Br ZINC000481585083 896965046 /nfs/dbraw/zinc/96/50/46/896965046.db2.gz DTMASWDOIRWPDD-UHFFFAOYSA-N -1 1 424.744 4.470 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)ccc1Br ZINC000481614796 896996304 /nfs/dbraw/zinc/99/63/04/896996304.db2.gz QVKXDWOJUFJOFL-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM O=S(=O)([N-]c1ccc(N2CCCCC2)c2ncccc12)c1ccc2c(c1)COC2 ZINC000481865804 897235224 /nfs/dbraw/zinc/23/52/24/897235224.db2.gz WFDFSXDEYPYVAE-UHFFFAOYSA-N -1 1 409.511 4.056 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cnn1-c1ccc(Cl)cc1 ZINC000481870103 897239988 /nfs/dbraw/zinc/23/99/88/897239988.db2.gz PNDKUWYDVRNJQI-UHFFFAOYSA-N -1 1 424.309 4.223 20 0 HIADMM NC(=O)c1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000481957833 897347554 /nfs/dbraw/zinc/34/75/54/897347554.db2.gz QGYGCKVAJWNZTD-UHFFFAOYSA-N -1 1 420.849 4.171 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1Cl ZINC000481958549 897347693 /nfs/dbraw/zinc/34/76/93/897347693.db2.gz PMONYLDGMAFKJL-UHFFFAOYSA-N -1 1 421.828 4.073 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(OC4CCC4)c(F)c3)c3cccc1c23 ZINC000481961697 897351962 /nfs/dbraw/zinc/35/19/62/897351962.db2.gz ZVLXWDPVDTVWQZ-UHFFFAOYSA-N -1 1 412.442 4.277 20 0 HIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)c(Cl)c3)cc21 ZINC000481966318 897356926 /nfs/dbraw/zinc/35/69/26/897356926.db2.gz WGEJBLDPWDSACE-UHFFFAOYSA-N -1 1 405.907 4.464 20 0 HIADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(Br)cc1C(F)(F)F ZINC000481984083 897379052 /nfs/dbraw/zinc/37/90/52/897379052.db2.gz MFGLJVUICKAOPB-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM CC[C@@H](c1nnc([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)s1)c1ccccc1 ZINC000482245562 897727613 /nfs/dbraw/zinc/72/76/13/897727613.db2.gz SGBIURUWSHTWDR-CQSZACIVSA-N -1 1 410.528 4.189 20 0 HIADMM Cc1ccc(C(=O)N(C)C2CCCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000482386059 897917017 /nfs/dbraw/zinc/91/70/17/897917017.db2.gz NWLOYVXPEMTBQQ-UHFFFAOYSA-N -1 1 406.935 4.464 20 0 HIADMM COC(C)(C)c1noc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)n1 ZINC000482548242 898138390 /nfs/dbraw/zinc/13/83/90/898138390.db2.gz FCTXTIJOEBDDQB-UHFFFAOYSA-N -1 1 401.488 4.036 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(C)cc(Br)c2[O-])c(C)n1 ZINC000482577836 898174149 /nfs/dbraw/zinc/17/41/49/898174149.db2.gz LWRWXROKQQFURS-UHFFFAOYSA-N -1 1 410.337 4.163 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)C2(OCc3ccccc3)CCOCC2)c1 ZINC000482600815 898201385 /nfs/dbraw/zinc/20/13/85/898201385.db2.gz IMDQRWAQABVQNB-UHFFFAOYSA-N -1 1 420.303 4.168 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2cc3ccccc3[nH]c2=O)c1 ZINC000482634479 898238347 /nfs/dbraw/zinc/23/83/47/898238347.db2.gz GACPAKYWWUZHKB-UHFFFAOYSA-N -1 1 401.260 4.288 20 0 HIADMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000482711112 898311986 /nfs/dbraw/zinc/31/19/86/898311986.db2.gz VPVYISOMHMMFTD-UHFFFAOYSA-N -1 1 418.559 4.403 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2csc(-c3cccnc3)n2)c1 ZINC000482723429 898323765 /nfs/dbraw/zinc/32/37/65/898323765.db2.gz MGVHQBAKQOEGCY-UHFFFAOYSA-N -1 1 404.289 4.163 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2nnc(-c3ccccc3)o2)c1 ZINC000482725890 898326831 /nfs/dbraw/zinc/32/68/31/898326831.db2.gz WECGVYOJRGJSCX-UHFFFAOYSA-N -1 1 402.248 4.084 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000482937772 898560613 /nfs/dbraw/zinc/56/06/13/898560613.db2.gz AAMBCFLHYGYNJQ-NRFANRHFSA-N -1 1 402.498 4.143 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCSCC[C@@H]3C)cc2)c1C ZINC000482953112 898580674 /nfs/dbraw/zinc/58/06/74/898580674.db2.gz WPEUYGMHQXMVCQ-INIZCTEOSA-N -1 1 418.584 4.072 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1OCC ZINC000483165695 898835979 /nfs/dbraw/zinc/83/59/79/898835979.db2.gz TWIFIHWSVGNFBQ-UHFFFAOYSA-N -1 1 414.483 4.472 20 0 HIADMM Cc1nc2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2o1 ZINC000483431450 899063724 /nfs/dbraw/zinc/06/37/24/899063724.db2.gz QJWYNVLQAHYZPW-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cccc(Br)c2)cc(OC)c1C(C)C ZINC000484229944 899824251 /nfs/dbraw/zinc/82/42/51/899824251.db2.gz GUFOBCJLMYGDCP-UHFFFAOYSA-N -1 1 414.321 4.391 20 0 HIADMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc(-c2ccc(C)s2)ns1 ZINC000484423840 899938295 /nfs/dbraw/zinc/93/82/95/899938295.db2.gz IIPPMRRXCLILKY-UHFFFAOYSA-N -1 1 411.512 4.412 20 0 HIADMM CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3ccccc3COC)ccc2s1 ZINC000484538080 900022760 /nfs/dbraw/zinc/02/27/60/900022760.db2.gz ADBFNARQGHYOIR-UHFFFAOYSA-N -1 1 405.497 4.025 20 0 HIADMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)[n-]1 ZINC000484578049 900045161 /nfs/dbraw/zinc/04/51/61/900045161.db2.gz SWEQKRVPESLOMA-ZCFIWIBFSA-N -1 1 408.694 4.276 20 0 HIADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000484578049 900045166 /nfs/dbraw/zinc/04/51/66/900045166.db2.gz SWEQKRVPESLOMA-ZCFIWIBFSA-N -1 1 408.694 4.276 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000484631920 900081677 /nfs/dbraw/zinc/08/16/77/900081677.db2.gz WARFDDHWLDSKRH-UHFFFAOYSA-N -1 1 415.540 4.192 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C(F)F)CC2)c1 ZINC000484721230 900151810 /nfs/dbraw/zinc/15/18/10/900151810.db2.gz CFHCHQWCEGQYLC-UHFFFAOYSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000484721733 900152092 /nfs/dbraw/zinc/15/20/92/900152092.db2.gz SZOWYQRJPAARRJ-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM COc1ccc(-c2ncc(C(=O)[N-]c3nnc(CC(F)(F)F)s3)s2)cc1 ZINC000484945818 900314709 /nfs/dbraw/zinc/31/47/09/900314709.db2.gz CZYNUXLEVSIICR-UHFFFAOYSA-N -1 1 400.407 4.027 20 0 HIADMM CCN(CC)c1nc2sc(C(=O)[N-]c3nnc(CC(F)(F)F)s3)cc2s1 ZINC000484964739 900327363 /nfs/dbraw/zinc/32/73/63/900327363.db2.gz OXIMBNLALGOWJN-UHFFFAOYSA-N -1 1 421.495 4.413 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c(Cl)c1 ZINC000485163214 900461870 /nfs/dbraw/zinc/46/18/70/900461870.db2.gz FKKSXNVJYCTSKD-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000485405286 900703918 /nfs/dbraw/zinc/70/39/18/900703918.db2.gz YYPVIJXSGSPBCB-UHFFFAOYSA-N -1 1 412.914 4.283 20 0 HIADMM O=C(Nc1ccc2scnc2c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000505902771 914543921 /nfs/dbraw/zinc/54/39/21/914543921.db2.gz CZMKNOSUXDCDQT-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000486568421 901713421 /nfs/dbraw/zinc/71/34/21/901713421.db2.gz SWENWGFHKJVLFS-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000486770926 901843705 /nfs/dbraw/zinc/84/37/05/901843705.db2.gz IGFHZIVYNUENJI-SWLSCSKDSA-N -1 1 417.303 4.067 20 0 HIADMM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000486836233 901887013 /nfs/dbraw/zinc/88/70/13/901887013.db2.gz WXEHLMWSUUARRT-UHFFFAOYSA-N -1 1 411.259 4.207 20 0 HIADMM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486854680 901899473 /nfs/dbraw/zinc/89/94/73/901899473.db2.gz CMWHWWKOTNBNDP-AWEZNQCLSA-N -1 1 415.291 4.020 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1nc(C(F)(F)F)cs1 ZINC000486857248 901902280 /nfs/dbraw/zinc/90/22/80/901902280.db2.gz KUWKFHQQUCQAFF-RXMQYKEDSA-N -1 1 421.285 4.025 20 0 HIADMM Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000486932124 901974220 /nfs/dbraw/zinc/97/42/20/901974220.db2.gz GHBBVYWVYZIEBY-UHFFFAOYSA-N -1 1 405.907 4.187 20 0 HIADMM Cc1cscc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000487045937 902037473 /nfs/dbraw/zinc/03/74/73/902037473.db2.gz PVVWTHFZODQKNR-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM COc1cc(C)cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000487145367 902074033 /nfs/dbraw/zinc/07/40/33/902074033.db2.gz GLQXCWZLJPJSNB-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)Nc1ccc(O)c(Cl)c1 ZINC000487200068 902098158 /nfs/dbraw/zinc/09/81/58/902098158.db2.gz PCSZOJNTHDOWER-UHFFFAOYSA-N -1 1 417.874 4.490 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1NC(C)=O ZINC000488222806 902703560 /nfs/dbraw/zinc/70/35/60/902703560.db2.gz AGQFPSAIHFWJDN-UHFFFAOYSA-N -1 1 422.812 4.127 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(COCC(F)(F)C(F)F)c1 ZINC000488244342 902719623 /nfs/dbraw/zinc/71/96/23/902719623.db2.gz PFHKSWXXBDQTPO-UHFFFAOYSA-N -1 1 405.413 4.467 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000488248779 902722822 /nfs/dbraw/zinc/72/28/22/902722822.db2.gz LLSLRIZZAMYPMW-HXUWFJFHSA-N -1 1 421.566 4.288 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1OC ZINC000488263405 902735028 /nfs/dbraw/zinc/73/50/28/902735028.db2.gz JTWNPOLUCRFLGC-UHFFFAOYSA-N -1 1 409.813 4.485 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000488279016 902742105 /nfs/dbraw/zinc/74/21/05/902742105.db2.gz IYAOSASNCWUHFZ-UHFFFAOYSA-N -1 1 400.544 4.230 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000488295262 902757169 /nfs/dbraw/zinc/75/71/69/902757169.db2.gz OYJWFUFCVXDRAK-UHFFFAOYSA-N -1 1 412.486 4.370 20 0 HIADMM CSC[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000489355657 903343521 /nfs/dbraw/zinc/34/35/21/903343521.db2.gz BEYXEOGESJWATK-LJQANCHMSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nc1-c1ccccc1 ZINC000490413315 903995829 /nfs/dbraw/zinc/99/58/29/903995829.db2.gz LSBYBNGBSLXLEK-KRWDZBQOSA-N -1 1 411.527 4.111 20 0 HIADMM CSC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCC1 ZINC000490454807 904021145 /nfs/dbraw/zinc/02/11/45/904021145.db2.gz RQWGWSTVQYFONB-UHFFFAOYSA-N -1 1 410.948 4.365 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2C(C)C)nc1-c1ccccc1 ZINC000490464361 904024649 /nfs/dbraw/zinc/02/46/49/904024649.db2.gz NZECQLANSQKLBI-MRXNPFEDSA-N -1 1 411.527 4.309 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)c(=O)[n-]1 ZINC000491161760 904464089 /nfs/dbraw/zinc/46/40/89/904464089.db2.gz LYEPXQUTKJMWCA-CQSZACIVSA-N -1 1 408.527 4.085 20 0 HIADMM COc1cc(NC(=O)C/C=C/c2ccc(C(C)C)cc2)ccc1[N-]S(C)(=O)=O ZINC000491443627 904598850 /nfs/dbraw/zinc/59/88/50/904598850.db2.gz HKTWYNVMZYSQFP-AATRIKPKSA-N -1 1 402.516 4.232 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1 ZINC000491544849 904645678 /nfs/dbraw/zinc/64/56/78/904645678.db2.gz JUYOAOILYQMQSK-UHFFFAOYSA-N -1 1 407.495 4.220 20 0 HIADMM CC1(C)C[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000492573054 904870735 /nfs/dbraw/zinc/87/07/35/904870735.db2.gz MZXFSPBGQQKEGR-INIZCTEOSA-N -1 1 412.433 4.035 20 0 HIADMM CC1(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CCCCC1 ZINC000492636337 904881567 /nfs/dbraw/zinc/88/15/67/904881567.db2.gz NFCKWUXCTNWUMP-UHFFFAOYSA-N -1 1 404.507 4.008 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCC(C)(C)O3)ccc2C)c1 ZINC000493713087 905201433 /nfs/dbraw/zinc/20/14/33/905201433.db2.gz WMBQPDIEDMCDLG-SFHVURJKSA-N -1 1 402.516 4.000 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC(C)(C)C3)c2)cc1 ZINC000494158112 905494640 /nfs/dbraw/zinc/49/46/40/905494640.db2.gz XGQTZBCCKKFRIP-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000494236784 905564572 /nfs/dbraw/zinc/56/45/72/905564572.db2.gz GJNCLJMKBSJNPS-CQSZACIVSA-N -1 1 406.486 4.466 20 0 HIADMM CCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000494441738 905727004 /nfs/dbraw/zinc/72/70/04/905727004.db2.gz BNNMFLAPHXIGSC-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM CN(Cc1cccc2[nH]ccc21)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000495119420 906253019 /nfs/dbraw/zinc/25/30/19/906253019.db2.gz GTZPXMMYSAAXEU-UHFFFAOYSA-N -1 1 419.506 4.241 20 0 HIADMM Cc1nc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cs1 ZINC000495446383 906455761 /nfs/dbraw/zinc/45/57/61/906455761.db2.gz RGKGVGRSNFEQFI-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(Cc3ccccc3)c3ccccc32)c1 ZINC000496290189 906649005 /nfs/dbraw/zinc/64/90/05/906649005.db2.gz JHSFNPMEFQVQMF-UHFFFAOYSA-N -1 1 401.466 4.018 20 0 HIADMM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cccnc1 ZINC000497346004 906842391 /nfs/dbraw/zinc/84/23/91/906842391.db2.gz OKGYWXWKRAXKGN-AWEZNQCLSA-N -1 1 415.902 4.027 20 0 HIADMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cccnc1 ZINC000497346005 906842517 /nfs/dbraw/zinc/84/25/17/906842517.db2.gz OKGYWXWKRAXKGN-CQSZACIVSA-N -1 1 415.902 4.027 20 0 HIADMM CC(C)C[C@H](NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1)c1ccccc1 ZINC000497442503 906916249 /nfs/dbraw/zinc/91/62/49/906916249.db2.gz NUDRUVRMJFLKRK-SFHVURJKSA-N -1 1 415.559 4.060 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccnc1C(F)(F)F ZINC000497637944 907122903 /nfs/dbraw/zinc/12/29/03/907122903.db2.gz MAUOUFLAYMOEFE-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ncc(C)cc2Br)c1 ZINC000497848462 907328508 /nfs/dbraw/zinc/32/85/08/907328508.db2.gz NAHOIXXMIGUBCT-UHFFFAOYSA-N -1 1 420.126 4.024 20 0 HIADMM CCC(CC)[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cccs1 ZINC000497980502 907456122 /nfs/dbraw/zinc/45/61/22/907456122.db2.gz DWJZFYRJKQHENA-HXUWFJFHSA-N -1 1 410.543 4.450 20 0 HIADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1Cl ZINC000498019801 907517843 /nfs/dbraw/zinc/51/78/43/907517843.db2.gz FCIJJPPXLCEHPA-UHFFFAOYSA-N -1 1 417.865 4.198 20 0 HIADMM CCC[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000498047429 907557940 /nfs/dbraw/zinc/55/79/40/907557940.db2.gz NLJXXEFLCLNMGE-HNNXBMFYSA-N -1 1 418.515 4.023 20 0 HIADMM Cc1ccc(NC(=O)CO[C@H]2CCCC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000498200581 907733215 /nfs/dbraw/zinc/73/32/15/907733215.db2.gz IGYQYQXAJNVHTB-JXFKEZNVSA-N -1 1 416.543 4.330 20 0 HIADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000498212071 907744534 /nfs/dbraw/zinc/74/45/34/907744534.db2.gz WVKPCZROUPJSRB-YWZLYKJASA-N -1 1 420.506 4.160 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2ccc(Br)cc2O)c1 ZINC000498216050 907745486 /nfs/dbraw/zinc/74/54/86/907745486.db2.gz LQEZMKLORFOUQG-UHFFFAOYSA-N -1 1 415.081 4.112 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)c(C)c1 ZINC000498405202 907885266 /nfs/dbraw/zinc/88/52/66/907885266.db2.gz ZGIHJJFNFIRGKM-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM Cc1cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)ccc1OCC(F)(F)F ZINC000498648443 908088098 /nfs/dbraw/zinc/08/80/98/908088098.db2.gz HCCQXSYMCVTDKE-UHFFFAOYSA-N -1 1 403.360 4.143 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)c3ccco3)cc2)ccc1F ZINC000499553479 908838087 /nfs/dbraw/zinc/83/80/87/908838087.db2.gz AGGRJHGXFSYYCO-OAHLLOKOSA-N -1 1 416.474 4.361 20 0 HIADMM CCOc1cc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)ccc1C ZINC000499973052 909414267 /nfs/dbraw/zinc/41/42/67/909414267.db2.gz NEOCOXOJANIZHB-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@H](C)c1ccco1 ZINC000500052736 909518353 /nfs/dbraw/zinc/51/83/53/909518353.db2.gz HIFXJGBPZDKSCL-OAHLLOKOSA-N -1 1 416.474 4.361 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CC(C)C)cc1 ZINC000500157700 909637984 /nfs/dbraw/zinc/63/79/84/909637984.db2.gz ONSMPFNWZDZHSI-IBGZPJMESA-N -1 1 400.544 4.447 20 0 HIADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc(F)c1F ZINC000500158278 909639291 /nfs/dbraw/zinc/63/92/91/909639291.db2.gz WTCHNANEZNKIPJ-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(=O)[n-]1 ZINC000500268014 909749060 /nfs/dbraw/zinc/74/90/60/909749060.db2.gz HKIAINUTZXWMMU-UHFFFAOYSA-N -1 1 422.510 4.036 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)c1C ZINC000500321665 909782476 /nfs/dbraw/zinc/78/24/76/909782476.db2.gz GMPKOZACFXWNQP-UHFFFAOYSA-N -1 1 400.544 4.266 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1C(F)(F)F ZINC000500364783 909814937 /nfs/dbraw/zinc/81/49/37/909814937.db2.gz XQKWNMXAGLTFHS-UHFFFAOYSA-N -1 1 412.433 4.051 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1cnccc1C(F)(F)F ZINC000500474811 909878881 /nfs/dbraw/zinc/87/88/81/909878881.db2.gz JBRRBXPEDFLYEO-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br)C(F)(F)F ZINC000500475918 909880367 /nfs/dbraw/zinc/88/03/67/909880367.db2.gz PIGZSJSZVATVSG-VIFPVBQESA-N -1 1 414.165 4.087 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1cc(Br)ccc1F ZINC000500631561 909980028 /nfs/dbraw/zinc/98/00/28/909980028.db2.gz AANXYOXJWOZUER-QGZVFWFLSA-N -1 1 410.264 4.249 20 0 HIADMM O=C([N-]c1nnc(-c2cc(Br)ccc2F)s1)c1cc(C2CC2)on1 ZINC000500868450 910140736 /nfs/dbraw/zinc/14/07/36/910140736.db2.gz SEKDACJLASWXJF-UHFFFAOYSA-N -1 1 409.240 4.224 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(CC(C)C)C3CC3)c2)c1 ZINC000513107694 921554306 /nfs/dbraw/zinc/55/43/06/921554306.db2.gz HEUAOKSXCWOCIQ-UHFFFAOYSA-N -1 1 400.544 4.365 20 0 HIADMM CC(C)CN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1CC1 ZINC000513113144 921560600 /nfs/dbraw/zinc/56/06/00/921560600.db2.gz KAZVYKREWPVCJD-UHFFFAOYSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCC3)cc2)c(C)c1C ZINC000501030417 910248368 /nfs/dbraw/zinc/24/83/68/910248368.db2.gz VEBHJBNYSYPLTB-UHFFFAOYSA-N -1 1 400.544 4.312 20 0 HIADMM O=C(NCC1(C2CC2)CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000501376268 910505114 /nfs/dbraw/zinc/50/51/14/910505114.db2.gz FIVWNFBDWYAPEB-UHFFFAOYSA-N -1 1 422.909 4.200 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](C)[C@H](C)C3)cc2)cc1 ZINC000501646724 910733901 /nfs/dbraw/zinc/73/39/01/910733901.db2.gz QRGTXQMRSILCNL-DLBZAZTESA-N -1 1 416.543 4.004 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000501653312 910738761 /nfs/dbraw/zinc/73/87/61/910738761.db2.gz BJAIINKWWHUBKP-QGZVFWFLSA-N -1 1 418.541 4.356 20 0 HIADMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc2n[nH]cc21 ZINC000501747639 910807636 /nfs/dbraw/zinc/80/76/36/910807636.db2.gz FSVHOYBTEBSISE-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1noc(OCc2nc(=O)c3c(-c4ccc(Br)cc4)csc3[n-]2)n1 ZINC000501977917 910960239 /nfs/dbraw/zinc/96/02/39/910960239.db2.gz SGNKRBWHYIHRRH-UHFFFAOYSA-N -1 1 419.260 4.097 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)c(=O)[n-]1 ZINC000502391932 911376688 /nfs/dbraw/zinc/37/66/88/911376688.db2.gz QMSJZDWHGCPISZ-ZDUSSCGKSA-N -1 1 423.941 4.171 20 0 HIADMM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1c(Cl)cc(F)cc1Br ZINC000502436104 911419286 /nfs/dbraw/zinc/41/92/86/911419286.db2.gz HJDLFNXMDXULTD-UHFFFAOYSA-N -1 1 417.687 4.201 20 0 HIADMM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000502653609 911698303 /nfs/dbraw/zinc/69/83/03/911698303.db2.gz MJNAVEABMJSNOG-OAHLLOKOSA-N -1 1 414.458 4.033 20 0 HIADMM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000502928697 911915963 /nfs/dbraw/zinc/91/59/63/911915963.db2.gz JREFNTIRYDAUJG-FXAWDEMLSA-N -1 1 416.543 4.330 20 0 HIADMM CCCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000503163446 912135084 /nfs/dbraw/zinc/13/50/84/912135084.db2.gz BXSBZMOEHINMJR-OAHLLOKOSA-N -1 1 420.531 4.269 20 0 HIADMM C[C@@H]1CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H](C)C1 ZINC000506503462 915123480 /nfs/dbraw/zinc/12/34/80/915123480.db2.gz JPOVFPHTUXUWNI-MSOLQXFVSA-N -1 1 415.559 4.065 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1)[C@@H]1CCCO1 ZINC000506721861 915400601 /nfs/dbraw/zinc/40/06/01/915400601.db2.gz JLQIEFDMKAWMCN-QFIPXVFZSA-N -1 1 422.506 4.272 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1F ZINC000506721957 915403198 /nfs/dbraw/zinc/40/31/98/915403198.db2.gz KYZRYDCZBWLNNO-UHFFFAOYSA-N -1 1 401.459 4.319 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccco2)c2ccc(F)cc2C)c(=O)[n-]1 ZINC000506733191 915418248 /nfs/dbraw/zinc/41/82/48/915418248.db2.gz RIOLTWPFAKKVJQ-UHFFFAOYSA-N -1 1 415.490 4.419 20 0 HIADMM O=S(=O)([N-]c1ncccc1Br)c1cc(Cl)ccc1C(F)(F)F ZINC000506830405 915602156 /nfs/dbraw/zinc/60/21/56/915602156.db2.gz MYLZFIGGIWPZCF-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1 ZINC000507581564 916335790 /nfs/dbraw/zinc/33/57/90/916335790.db2.gz TUBLFZIJBXRWIT-UHFFFAOYSA-N -1 1 401.484 4.070 20 0 HIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)no1 ZINC000507633034 916391730 /nfs/dbraw/zinc/39/17/30/916391730.db2.gz AETDQXTWSBSSHS-UHFFFAOYSA-N -1 1 401.460 4.461 20 0 HIADMM C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000507849641 916670879 /nfs/dbraw/zinc/67/08/79/916670879.db2.gz SMSXRLLMHPVXST-CYBMUJFWSA-N -1 1 404.923 4.036 20 0 HIADMM CS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)ccc1Cl ZINC000507891678 916740251 /nfs/dbraw/zinc/74/02/51/916740251.db2.gz UGMSQJPAVSIIES-UHFFFAOYSA-N -1 1 421.927 4.211 20 0 HIADMM O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507909967 916784190 /nfs/dbraw/zinc/78/41/90/916784190.db2.gz ULODKLOCSVTSGR-INIZCTEOSA-N -1 1 413.861 4.027 20 0 HIADMM O=C(CSc1cccc2cccc(Cl)c21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507919543 916800758 /nfs/dbraw/zinc/80/07/58/916800758.db2.gz RCTKPMCBRBKBMH-ZDUSSCGKSA-N -1 1 403.891 4.080 20 0 HIADMM CCN1c2ccc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)cc2CCC1=O ZINC000507969422 916821581 /nfs/dbraw/zinc/82/15/81/916821581.db2.gz VZCVUMCNBRBACL-UHFFFAOYSA-N -1 1 406.507 4.454 20 0 HIADMM CCCC(C)(C)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000507974099 916824441 /nfs/dbraw/zinc/82/44/41/916824441.db2.gz KYQIFRJVLUNGCT-UHFFFAOYSA-N -1 1 417.138 4.208 20 0 HIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508068168 916890425 /nfs/dbraw/zinc/89/04/25/916890425.db2.gz MMORKBCGWJCSKH-UHFFFAOYSA-N -1 1 412.696 4.155 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(=O)[n-]1 ZINC000508204303 917023547 /nfs/dbraw/zinc/02/35/47/917023547.db2.gz NMUAZRXWSUAFGL-UHFFFAOYSA-N -1 1 412.342 4.431 20 0 HIADMM CC(C)N(C)c1ccccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000508236586 917054819 /nfs/dbraw/zinc/05/48/19/917054819.db2.gz QCNISBISNFWZEL-UHFFFAOYSA-N -1 1 410.255 4.094 20 0 HIADMM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1cnc(-c2ccco2)s1 ZINC000508326700 917130283 /nfs/dbraw/zinc/13/02/83/917130283.db2.gz OXBIYYQSCKFPOU-UHFFFAOYSA-N -1 1 405.361 4.459 20 0 HIADMM CO[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccccc1 ZINC000508524086 917307856 /nfs/dbraw/zinc/30/78/56/917307856.db2.gz ZIDCRVZUOKPXGZ-JOCHJYFZSA-N -1 1 424.522 4.430 20 0 HIADMM COc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000508932201 917690103 /nfs/dbraw/zinc/69/01/03/917690103.db2.gz HVVRHYDZKOOBMT-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1 ZINC000509075539 917819814 /nfs/dbraw/zinc/81/98/14/917819814.db2.gz QXULAJFGCGABHP-UHFFFAOYSA-N -1 1 424.975 4.489 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)c(C)c1 ZINC000509380375 918046979 /nfs/dbraw/zinc/04/69/79/918046979.db2.gz VWKMSTAKBMFHOQ-UHFFFAOYSA-N -1 1 414.458 4.092 20 0 HIADMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509382323 918047652 /nfs/dbraw/zinc/04/76/52/918047652.db2.gz BQDGMJXWGXPPMA-UHFFFAOYSA-N -1 1 415.437 4.217 20 0 HIADMM CC[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c(C)noc1C ZINC000509412055 918074031 /nfs/dbraw/zinc/07/40/31/918074031.db2.gz WTKSMHIPXMOUMX-IBGZPJMESA-N -1 1 413.499 4.225 20 0 HIADMM CO[C@H](C)c1nsc(=NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[n-]1 ZINC000509716574 918343883 /nfs/dbraw/zinc/34/38/83/918343883.db2.gz YLGQZUFNGNMUKV-LLVKDONJSA-N -1 1 401.363 4.051 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(OCC(C)C)c1 ZINC000509743631 918362165 /nfs/dbraw/zinc/36/21/65/918362165.db2.gz PJLNRFLCDBBJGM-UHFFFAOYSA-N -1 1 406.486 4.159 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1O ZINC000510076947 918646158 /nfs/dbraw/zinc/64/61/58/918646158.db2.gz OFCXSYOMTQLXFY-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3cc(F)ccc32)cc1 ZINC000510299626 918815801 /nfs/dbraw/zinc/81/58/01/918815801.db2.gz VCXXQZOJEAKBSJ-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM C[C@H](CC1CCCC1)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000511163980 919786201 /nfs/dbraw/zinc/78/62/01/919786201.db2.gz AOXNZMORPXCSEQ-QGZVFWFLSA-N -1 1 400.544 4.320 20 0 HIADMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1c(Cl)cccc1Br ZINC000511360083 919954852 /nfs/dbraw/zinc/95/48/52/919954852.db2.gz MXQCKFFAIYHLPG-UHFFFAOYSA-N -1 1 406.651 4.113 20 0 HIADMM O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000511384859 919987892 /nfs/dbraw/zinc/98/78/92/919987892.db2.gz SAYLILWCGYWGBB-UHFFFAOYSA-N -1 1 421.326 4.147 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000511911338 920650717 /nfs/dbraw/zinc/65/07/17/920650717.db2.gz SMVFJZSWPUJPPC-UHFFFAOYSA-N -1 1 418.522 4.274 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000512102412 920861431 /nfs/dbraw/zinc/86/14/31/920861431.db2.gz HTMJQCASYZKBSH-UHFFFAOYSA-N -1 1 424.828 4.281 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)[C@H](C)CC)cc2)cc1 ZINC000512131093 920879114 /nfs/dbraw/zinc/87/91/14/920879114.db2.gz NUCAQWQLGDSKEB-CVEARBPZSA-N -1 1 404.532 4.051 20 0 HIADMM CC[C@@H]1C[C@@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513721422 922041131 /nfs/dbraw/zinc/04/11/31/922041131.db2.gz WPNPBZRUYQBBEP-QFBILLFUSA-N -1 1 402.516 4.021 20 0 HIADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513720759 922041612 /nfs/dbraw/zinc/04/16/12/922041612.db2.gz ONYWXSPTSPRYQE-LAUBAEHRSA-N -1 1 416.543 4.267 20 0 HIADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513730053 922050023 /nfs/dbraw/zinc/05/00/23/922050023.db2.gz IPAMQEMDSJZGHC-DYESRHJHSA-N -1 1 416.543 4.267 20 0 HIADMM CC[C@H]1C[C@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513731417 922051137 /nfs/dbraw/zinc/05/11/37/922051137.db2.gz VWDRRUYUDDSXOF-XLIONFOSSA-N -1 1 416.543 4.330 20 0 HIADMM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513731416 922051560 /nfs/dbraw/zinc/05/15/60/922051560.db2.gz VWDRRUYUDDSXOF-PXNSSMCTSA-N -1 1 416.543 4.330 20 0 HIADMM CCCOc1ccc(CN(CCC)C(=O)c2nc3ccccc3c(=O)[n-]2)cc1OCC ZINC000514531589 922678890 /nfs/dbraw/zinc/67/88/90/922678890.db2.gz ZKBCASSNDDEMDE-UHFFFAOYSA-N -1 1 423.513 4.163 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)cc1 ZINC000515029169 922885592 /nfs/dbraw/zinc/88/55/92/922885592.db2.gz YOBNCNWKAKUNCC-UHFFFAOYSA-N -1 1 408.523 4.371 20 0 HIADMM O=S(=O)(Cc1ccccc1Oc1ccccc1)c1nc(-c2ccccc2F)n[n-]1 ZINC000515123465 922938891 /nfs/dbraw/zinc/93/88/91/922938891.db2.gz SNSWVTKFLWZAEX-UHFFFAOYSA-N -1 1 409.442 4.377 20 0 HIADMM O=S(=O)(Cc1ccccc1Oc1ccccc1)c1n[n-]c(-c2ccccc2F)n1 ZINC000515123465 922938900 /nfs/dbraw/zinc/93/89/00/922938900.db2.gz SNSWVTKFLWZAEX-UHFFFAOYSA-N -1 1 409.442 4.377 20 0 HIADMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cn1 ZINC000515459576 923118556 /nfs/dbraw/zinc/11/85/56/923118556.db2.gz QHNBFALOFCASRE-UHFFFAOYSA-N -1 1 415.902 4.025 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCCCC3)c1 ZINC000515624313 923225711 /nfs/dbraw/zinc/22/57/11/923225711.db2.gz NEEOLZBAOBHWQW-UHFFFAOYSA-N -1 1 416.934 4.434 20 0 HIADMM O=C(NCc1ccccc1F)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000515632444 923232520 /nfs/dbraw/zinc/23/25/20/923232520.db2.gz WSOLFMTWTFFBIR-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC000515707824 923290109 /nfs/dbraw/zinc/29/01/09/923290109.db2.gz NVHZOBKJLVNQDW-HZPDHXFCSA-N -1 1 416.543 4.051 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1C ZINC000516673697 923839170 /nfs/dbraw/zinc/83/91/70/923839170.db2.gz HUALLWLQALPLPM-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM CCOc1cc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)cc(Cl)c1[O-] ZINC000517056937 923978856 /nfs/dbraw/zinc/97/88/56/923978856.db2.gz HLJMGEKGYFMEEC-UHFFFAOYSA-N -1 1 413.905 4.416 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Br)c(Cl)c3)cc2o1 ZINC000517214650 924056425 /nfs/dbraw/zinc/05/64/25/924056425.db2.gz TYOSTXMSJYOCKT-UHFFFAOYSA-N -1 1 401.669 4.353 20 0 HIADMM Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000517335358 924110308 /nfs/dbraw/zinc/11/03/08/924110308.db2.gz RJISYBMDWKOCEW-LLVKDONJSA-N -1 1 424.913 4.499 20 0 HIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)N(Cc1ccccc1)c1ccccc1 ZINC000517440161 924188718 /nfs/dbraw/zinc/18/87/18/924188718.db2.gz KJUDVGJMWYATCN-UHFFFAOYSA-N -1 1 401.438 4.445 20 0 HIADMM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(Br)c2Cl)cc1OC ZINC000517761148 926825075 /nfs/dbraw/zinc/82/50/75/926825075.db2.gz KLJBEPCCHCCRDI-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM Cc1cccc2c1CC[C@H]2NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000517835534 926857655 /nfs/dbraw/zinc/85/76/55/926857655.db2.gz JQZSYUDRENGQIU-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM CC(C)[C@H](C)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000517884203 926874623 /nfs/dbraw/zinc/87/46/23/926874623.db2.gz IILWPPVYFWRUSQ-HNNXBMFYSA-N -1 1 404.507 4.276 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1C ZINC000517915170 926889272 /nfs/dbraw/zinc/88/92/72/926889272.db2.gz MSIJIEYCZFCZPO-UHFFFAOYSA-N -1 1 401.463 4.222 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])cc1Cl ZINC000517939098 926896501 /nfs/dbraw/zinc/89/65/01/926896501.db2.gz DAYMBBJRPDORBB-UHFFFAOYSA-N -1 1 404.271 4.118 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3N3CCSCC3)ccc2O1 ZINC000517977707 926923526 /nfs/dbraw/zinc/92/35/26/926923526.db2.gz GHWJIQIAPYWFJP-ZDUSSCGKSA-N -1 1 424.975 4.017 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCc4ccc(F)cc43)c2)c1 ZINC000518044065 926982291 /nfs/dbraw/zinc/98/22/91/926982291.db2.gz PMBBRYAEHAGOGH-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000518197657 927076240 /nfs/dbraw/zinc/07/62/40/927076240.db2.gz LYNKWDGECXNCMR-UHFFFAOYSA-N -1 1 411.449 4.284 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(Cc3ccccc3)no2)cc1)c1ccc(F)cc1 ZINC000518323916 927188371 /nfs/dbraw/zinc/18/83/71/927188371.db2.gz FCZBIVZAZKDPBW-UHFFFAOYSA-N -1 1 409.442 4.267 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c(C(F)(F)F)c1 ZINC000518436305 927270539 /nfs/dbraw/zinc/27/05/39/927270539.db2.gz FAIIMRUJYMALGR-VIFPVBQESA-N -1 1 421.824 4.492 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)c4cccs4)c3)ccc2O1 ZINC000518493359 927306843 /nfs/dbraw/zinc/30/68/43/927306843.db2.gz BMWDDROIBSQRFP-ZDUSSCGKSA-N -1 1 414.508 4.125 20 0 HIADMM Cc1nc(-c2ccc(N3CCC(C(=O)c4cc(F)ccc4F)CC3)nc2)[n-]c(=O)c1C ZINC000518521267 927323604 /nfs/dbraw/zinc/32/36/04/927323604.db2.gz ONBQGSLGAXZHJH-UHFFFAOYSA-N -1 1 424.451 4.239 20 0 HIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(NC(=O)C4CC4)nc3)cc2)c1 ZINC000518757159 927479589 /nfs/dbraw/zinc/47/95/89/927479589.db2.gz ZDOBFEALTXBIIB-UHFFFAOYSA-N -1 1 423.494 4.332 20 0 HIADMM COc1cc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)ccc1OCc1ccncc1 ZINC000518836846 927536412 /nfs/dbraw/zinc/53/64/12/927536412.db2.gz SMYKEUNSSKRDNX-ZDUSSCGKSA-N -1 1 414.408 4.144 20 0 HIADMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)c1C ZINC000518843246 927544148 /nfs/dbraw/zinc/54/41/48/927544148.db2.gz DNTCVPNAWHRINF-OAHLLOKOSA-N -1 1 424.588 4.461 20 0 HIADMM [O-]C(=Cc1ccc(Br)cc1)Nc1nc(-c2ccccc2Cl)ns1 ZINC000518901031 927611562 /nfs/dbraw/zinc/61/15/62/927611562.db2.gz SYUGUINCIBVJFK-UHFFFAOYSA-N -1 1 408.708 4.224 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3CC=CCC3)cc2)ccc1F ZINC000519024740 927702090 /nfs/dbraw/zinc/70/20/90/927702090.db2.gz FJTXEMJZUFNVPP-MRXNPFEDSA-N -1 1 402.491 4.021 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000519080272 927756593 /nfs/dbraw/zinc/75/65/93/927756593.db2.gz QFSMAIBXAJLQAZ-JOCHJYFZSA-N -1 1 414.509 4.085 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCC3)ccc2Cl)c(F)c1 ZINC000519217732 927831977 /nfs/dbraw/zinc/83/19/77/927831977.db2.gz VYJLBHAYVNNMQS-UHFFFAOYSA-N -1 1 410.898 4.214 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000519228738 927836450 /nfs/dbraw/zinc/83/64/50/927836450.db2.gz WYBUXMHZACIEQN-HUUCEWRRSA-N -1 1 418.534 4.361 20 0 HIADMM O=C(NCCc1ccccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000519277837 927861049 /nfs/dbraw/zinc/86/10/49/927861049.db2.gz ORQPWVPZTGQQSV-UHFFFAOYSA-N -1 1 414.914 4.113 20 0 HIADMM Cc1ccccc1Oc1ccccc1CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000519333616 927886424 /nfs/dbraw/zinc/88/64/24/927886424.db2.gz DAPBTJTWSLWZQL-UHFFFAOYSA-N -1 1 416.481 4.011 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)CC3)cc2)ccc1F ZINC000519873437 928106123 /nfs/dbraw/zinc/10/61/23/928106123.db2.gz SLPMLCXGPSEADE-OAHLLOKOSA-N -1 1 404.507 4.197 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c(C)c1 ZINC000519993907 928222102 /nfs/dbraw/zinc/22/21/02/928222102.db2.gz ZWBMSPRFNKFXQY-KRWDZBQOSA-N -1 1 418.559 4.359 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccc(C)o4)no3)cc2)cc1 ZINC000520330788 928494329 /nfs/dbraw/zinc/49/43/29/928494329.db2.gz GSIXCNVCRPMVKY-UHFFFAOYSA-N -1 1 411.439 4.114 20 0 HIADMM Cc1cc(C)c(-c2csc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)n2)c(C)c1 ZINC000520553939 928637482 /nfs/dbraw/zinc/63/74/82/928637482.db2.gz QEXCSGAKMMMCTN-UHFFFAOYSA-N -1 1 421.526 4.282 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000520571179 928646692 /nfs/dbraw/zinc/64/66/92/928646692.db2.gz FOXMDPRVQRLDCL-HXUWFJFHSA-N -1 1 406.530 4.255 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000520617241 928676855 /nfs/dbraw/zinc/67/68/55/928676855.db2.gz SXCZCZUCTOGXGX-MRXNPFEDSA-N -1 1 412.555 4.157 20 0 HIADMM CC1(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CCCC1 ZINC000520889485 928860977 /nfs/dbraw/zinc/86/09/77/928860977.db2.gz ISMOPNTYIJSUGB-UHFFFAOYSA-N -1 1 408.470 4.076 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1NC(=O)c1ccncc1 ZINC000521415272 929211092 /nfs/dbraw/zinc/21/10/92/929211092.db2.gz STYFWIHWTFFQKM-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)c1 ZINC000521656219 929350319 /nfs/dbraw/zinc/35/03/19/929350319.db2.gz UIRTWLUNCNUENA-UHFFFAOYSA-N -1 1 413.495 4.489 20 0 HIADMM COc1cc(NC(=O)C2(Cc3cccs3)CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000521695400 929370949 /nfs/dbraw/zinc/37/09/49/929370949.db2.gz PFDCKRWUYMDBIZ-UHFFFAOYSA-N -1 1 422.572 4.260 20 0 HIADMM C[C@H]1CCC[C@@H](OCc2cccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)c2)C1 ZINC000521728592 929392983 /nfs/dbraw/zinc/39/29/83/929392983.db2.gz HTLZMUFEFBAQBB-XJKSGUPXSA-N -1 1 409.529 4.342 20 0 HIADMM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1 ZINC000521761524 929424030 /nfs/dbraw/zinc/42/40/30/929424030.db2.gz QLJAXKMKQQOUFF-UHFFFAOYSA-N -1 1 402.859 4.032 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCOc2ccccc21)c1c(Cl)cc(Cl)cc1Cl ZINC000521776161 929437732 /nfs/dbraw/zinc/43/77/32/929437732.db2.gz VRMADHVHQPHXRQ-SNVBAGLBSA-N -1 1 406.718 4.491 20 0 HIADMM COc1ccc2c(c1)CCN2C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000521849793 929498133 /nfs/dbraw/zinc/49/81/33/929498133.db2.gz AYYYHGDQNMNEAC-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(C3CCCC3)no2)cc1)c1ccc(F)c(F)c1 ZINC000521899814 929543184 /nfs/dbraw/zinc/54/31/84/929543184.db2.gz SNAYRSFOOXGUAK-UHFFFAOYSA-N -1 1 405.426 4.473 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(F)(F)F)cc2)c(Cl)c1 ZINC000521937303 929576461 /nfs/dbraw/zinc/57/64/61/929576461.db2.gz ZRTHGBTYQPYURJ-UHFFFAOYSA-N -1 1 422.812 4.040 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1 ZINC000524633179 929744131 /nfs/dbraw/zinc/74/41/31/929744131.db2.gz GXMMXPJIYRTGHY-UHFFFAOYSA-N -1 1 401.532 4.072 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](C)[C@@H]3C)c2)cc1 ZINC000524653802 929766777 /nfs/dbraw/zinc/76/67/77/929766777.db2.gz JDRZXWPXWYADRN-SJORKVTESA-N -1 1 416.543 4.147 20 0 HIADMM C[C@H]1CCC[C@@H](C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000525054509 930006338 /nfs/dbraw/zinc/00/63/38/930006338.db2.gz WLOSNIWXETYKJG-PKOBYXMFSA-N -1 1 400.544 4.272 20 0 HIADMM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525069287 930015515 /nfs/dbraw/zinc/01/55/15/930015515.db2.gz TYMLDVLRCSLLCD-QFIPXVFZSA-N -1 1 422.506 4.130 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000525100541 930035044 /nfs/dbraw/zinc/03/50/44/930035044.db2.gz DZYSUSMYAZYQCT-OFNKIYASSA-N -1 1 420.534 4.157 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC(C)(C)CC3)c2)cc1 ZINC000525602059 930356122 /nfs/dbraw/zinc/35/61/22/930356122.db2.gz HLFRTCMMDXBUPI-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)CCC[C@H]2C)cc1 ZINC000525618549 930365278 /nfs/dbraw/zinc/36/52/78/930365278.db2.gz WONYUBHXWRAICZ-SJLPKXTDSA-N -1 1 400.544 4.447 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1C ZINC000525741972 930423166 /nfs/dbraw/zinc/42/31/66/930423166.db2.gz PDLYSTYFKVTNFC-UHFFFAOYSA-N -1 1 414.483 4.008 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000525756007 930432589 /nfs/dbraw/zinc/43/25/89/930432589.db2.gz RYMLYXVAJWKOSW-ZDUSSCGKSA-N -1 1 412.202 4.170 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C(C)(C)CC)c2)cc1 ZINC000526941152 930553386 /nfs/dbraw/zinc/55/33/86/930553386.db2.gz UUHUYSAFWWTDBX-UHFFFAOYSA-N -1 1 404.532 4.147 20 0 HIADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)ccc1F ZINC000530994784 930879090 /nfs/dbraw/zinc/87/90/90/930879090.db2.gz JOGVHINQFNWLFT-UHFFFAOYSA-N -1 1 412.442 4.228 20 0 HIADMM C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc2ccccc2c1 ZINC000531237421 930977220 /nfs/dbraw/zinc/97/72/20/930977220.db2.gz FRYGDEGWUUMMCO-MRXNPFEDSA-N -1 1 424.522 4.072 20 0 HIADMM Cc1cc(C)c(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])o1 ZINC000531396300 931042632 /nfs/dbraw/zinc/04/26/32/931042632.db2.gz XTMASEHJUOHOFF-UHFFFAOYSA-N -1 1 420.874 4.309 20 0 HIADMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000531433058 931055894 /nfs/dbraw/zinc/05/58/94/931055894.db2.gz APCUNZGMTFZXGG-UHFFFAOYSA-N -1 1 404.271 4.063 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1Cl ZINC000531522292 931090490 /nfs/dbraw/zinc/09/04/90/931090490.db2.gz GSHHAVAIXLTAGB-UHFFFAOYSA-N -1 1 408.907 4.158 20 0 HIADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000531776133 931191803 /nfs/dbraw/zinc/19/18/03/931191803.db2.gz ILRQABHNYIJYOJ-UHFFFAOYSA-N -1 1 423.332 4.096 20 0 HIADMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)c2)n1 ZINC000532033248 931292487 /nfs/dbraw/zinc/29/24/87/931292487.db2.gz PZCTVQINOUNWHI-UHFFFAOYSA-N -1 1 413.524 4.149 20 0 HIADMM Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000532291743 931387692 /nfs/dbraw/zinc/38/76/92/931387692.db2.gz NDWFTYMCDGOOSM-UHFFFAOYSA-N -1 1 416.543 4.341 20 0 HIADMM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000532416713 931428519 /nfs/dbraw/zinc/42/85/19/931428519.db2.gz ILWPEWGTPXCFTC-UHFFFAOYSA-N -1 1 423.332 4.042 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2O)cc1 ZINC000532837032 931648827 /nfs/dbraw/zinc/64/88/27/931648827.db2.gz JVQSSNNXEYEMIZ-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM C[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)n1cnc2ccccc21 ZINC000533023636 931742177 /nfs/dbraw/zinc/74/21/77/931742177.db2.gz GVAKSBYQUXHJKZ-INIZCTEOSA-N -1 1 420.494 4.037 20 0 HIADMM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000533093849 931769612 /nfs/dbraw/zinc/76/96/12/931769612.db2.gz QBSNSYGXQYEKGZ-UHFFFAOYSA-N -1 1 403.548 4.317 20 0 HIADMM O=C(Nc1cccc(-c2ncco2)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000533137698 931779442 /nfs/dbraw/zinc/77/94/42/931779442.db2.gz ZHVKMNCFHLGYCE-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cc(F)c(Br)cc1F ZINC000533786894 932033083 /nfs/dbraw/zinc/03/30/83/932033083.db2.gz JWSIXWCDVUKLIP-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)OCC3 ZINC000534064964 932243056 /nfs/dbraw/zinc/24/30/56/932243056.db2.gz KXADNEAQSPDAGP-IBGZPJMESA-N -1 1 421.423 4.074 20 0 HIADMM CC(C)(c1nnc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)s1)c1ccccc1 ZINC000534073572 932252300 /nfs/dbraw/zinc/25/23/00/932252300.db2.gz VIIKHHDJMDEWMQ-ZDUSSCGKSA-N -1 1 400.529 4.424 20 0 HIADMM COc1ccc(C[C@H](C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000534650281 932622209 /nfs/dbraw/zinc/62/22/09/932622209.db2.gz PERNVPZKOQPCKO-KRWDZBQOSA-N -1 1 424.522 4.313 20 0 HIADMM CCc1onc(C)c1NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000534781752 932762913 /nfs/dbraw/zinc/76/29/13/932762913.db2.gz ZVWRUGZWWRQQRK-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM CCc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)c2)n1 ZINC000535139614 932959529 /nfs/dbraw/zinc/95/95/29/932959529.db2.gz ZADJEGMOWYMQTP-UHFFFAOYSA-N -1 1 407.854 4.005 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cc1C ZINC000535343639 933083817 /nfs/dbraw/zinc/08/38/17/933083817.db2.gz FQGYEMOTZDXORJ-UHFFFAOYSA-N -1 1 402.697 4.414 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Br)ccc3Cl)cc2[nH]1 ZINC000535396349 933113997 /nfs/dbraw/zinc/11/39/97/933113997.db2.gz MDRWUQDUEIEPBD-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3csc(-c4ccccc4)n3)c2C)o1 ZINC000535396467 933114141 /nfs/dbraw/zinc/11/41/41/933114141.db2.gz RZRYNZXKNDWBTQ-UHFFFAOYSA-N -1 1 400.485 4.211 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4ccsc4C3)c2)cc1 ZINC000535563250 933244195 /nfs/dbraw/zinc/24/41/95/933244195.db2.gz DEHRWJUJVQABHS-UHFFFAOYSA-N -1 1 412.536 4.056 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(SCc4cccnc4)cc3)ccc2[nH]1 ZINC000536132236 933679885 /nfs/dbraw/zinc/67/98/85/933679885.db2.gz RTCHPAHWKGRATJ-UHFFFAOYSA-N -1 1 423.519 4.016 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1 ZINC000537396110 933757216 /nfs/dbraw/zinc/75/72/16/933757216.db2.gz XFANWQRBAZZNHJ-UHFFFAOYSA-N -1 1 409.467 4.478 20 0 HIADMM COc1ccc([C@H](C)NC(=O)Cc2noc(-c3ccc4ccccc4c3[O-])n2)cc1 ZINC000562560018 945098840 /nfs/dbraw/zinc/09/88/40/945098840.db2.gz VRPTYPAVCQZTNA-AWEZNQCLSA-N -1 1 403.438 4.024 20 0 HIADMM O=C(C[C@H]1C=CCC1)Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000537836077 938386603 /nfs/dbraw/zinc/38/66/03/938386603.db2.gz CWPHQFDEBNDRRH-INIZCTEOSA-N -1 1 412.511 4.107 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)n[nH]c1-c1ccccc1 ZINC000538005493 938458692 /nfs/dbraw/zinc/45/86/92/938458692.db2.gz WDAOBQOQIOBPDM-UHFFFAOYSA-N -1 1 410.268 4.088 20 0 HIADMM O=C(c1ccccc1Oc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000538225073 938564386 /nfs/dbraw/zinc/56/43/86/938564386.db2.gz SPSAOICCLVQBNU-GFCCVEGCSA-N -1 1 418.284 4.319 20 0 HIADMM C[C@H]1CC[C@H](C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])C1 ZINC000538460261 938627286 /nfs/dbraw/zinc/62/72/86/938627286.db2.gz YIUVCVPKTBJDSA-STQMWFEESA-N -1 1 408.907 4.221 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3F)cc2)cc1 ZINC000538464362 938628420 /nfs/dbraw/zinc/62/84/20/938628420.db2.gz XKZVMHWFCLMFQY-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nn1[C@@H](C)C1CC1 ZINC000538583590 938655425 /nfs/dbraw/zinc/65/54/25/938655425.db2.gz JSRUWUYKCBFOIP-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)c(Cl)c1 ZINC000538841544 938723456 /nfs/dbraw/zinc/72/34/56/938723456.db2.gz IGCYQUXJUIWJIT-UHFFFAOYSA-N -1 1 414.980 4.216 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)cc1 ZINC000539115917 938805177 /nfs/dbraw/zinc/80/51/77/938805177.db2.gz ZRJZZGMXQCUFSW-UHFFFAOYSA-N -1 1 417.462 4.341 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000539235250 938823062 /nfs/dbraw/zinc/82/30/62/938823062.db2.gz OWAQGIFZJUVCSK-UHFFFAOYSA-N -1 1 414.449 4.253 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)cc1 ZINC000539238086 938823343 /nfs/dbraw/zinc/82/33/43/938823343.db2.gz IDINTQKEMIQRCT-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM COc1ccc([C@@H]2CCCCCN2C(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000539615324 938888362 /nfs/dbraw/zinc/88/83/62/938888362.db2.gz FGGDQOWFGTUBLS-SFHVURJKSA-N -1 1 401.532 4.044 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1NC(=O)c1ccco1 ZINC000563577364 945222366 /nfs/dbraw/zinc/22/23/66/945222366.db2.gz LNRPGLDJTAGYAG-UHFFFAOYSA-N -1 1 410.373 4.058 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)c1 ZINC000563578595 945222745 /nfs/dbraw/zinc/22/27/45/945222745.db2.gz ZDWQHVFTHQYAAH-UHFFFAOYSA-N -1 1 409.891 4.031 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)cc1 ZINC000540289897 939184573 /nfs/dbraw/zinc/18/45/73/939184573.db2.gz YPPSJNOADZMTOU-UHFFFAOYSA-N -1 1 407.557 4.046 20 0 HIADMM Cc1ccc(S[C@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c2ccccc2)c(C)c1 ZINC000540423286 939243196 /nfs/dbraw/zinc/24/31/96/939243196.db2.gz RCMRDUFSTKIGOA-ICSRJNTNSA-N -1 1 407.543 4.056 20 0 HIADMM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)n2)c1 ZINC000540588282 939312287 /nfs/dbraw/zinc/31/22/87/939312287.db2.gz CFRXLDBSPOSXBE-UHFFFAOYSA-N -1 1 401.348 4.092 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCO[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000540706543 939344434 /nfs/dbraw/zinc/34/44/34/939344434.db2.gz VHBRDVHGMBWXII-HUUCEWRRSA-N -1 1 422.934 4.203 20 0 HIADMM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCO1 ZINC000540739377 939354107 /nfs/dbraw/zinc/35/41/07/939354107.db2.gz VKSCIGRBKTZULU-UWVGGRQHSA-N -1 1 416.790 4.036 20 0 HIADMM O=C([O-])CCCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000541003613 939429077 /nfs/dbraw/zinc/42/90/77/939429077.db2.gz ZRSLZOLYQAVAMA-UHFFFAOYSA-N -1 1 406.262 4.341 20 0 HIADMM CC[C@H]1C[C@@H](CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000541014666 939431470 /nfs/dbraw/zinc/43/14/70/939431470.db2.gz WDGIINQGWBMQOR-RDJZCZTQSA-N -1 1 420.506 4.160 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCCOC(C)C)c2)c1 ZINC000541254456 939487806 /nfs/dbraw/zinc/48/78/06/939487806.db2.gz ZGTLWZUFCWVFQU-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM O=C(CCc1cc(F)ccc1Br)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000541520876 939543263 /nfs/dbraw/zinc/54/32/63/939543263.db2.gz IZKCIMPMJGTTPS-UHFFFAOYSA-N -1 1 404.239 4.255 20 0 HIADMM CO[C@H](C)CCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000542016029 939686879 /nfs/dbraw/zinc/68/68/79/939686879.db2.gz XFEOXBKDPDIMRV-CQSZACIVSA-N -1 1 410.923 4.203 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)c(C)c1F ZINC000542094413 939709943 /nfs/dbraw/zinc/70/99/43/939709943.db2.gz SVECYHBYZRXSJD-OAHLLOKOSA-N -1 1 418.490 4.238 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2C)cc1Cl ZINC000542233177 939768197 /nfs/dbraw/zinc/76/81/97/939768197.db2.gz HWOVZIGDCRGFMT-UHFFFAOYSA-N -1 1 419.890 4.385 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3CCCCS3)cc2)c1 ZINC000542401319 939815310 /nfs/dbraw/zinc/81/53/10/939815310.db2.gz GBEVOSKHIASNJS-IBGZPJMESA-N -1 1 418.584 4.120 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000542452766 939825479 /nfs/dbraw/zinc/82/54/79/939825479.db2.gz VLBGHQQWMHNWSH-KRWDZBQOSA-N -1 1 405.502 4.228 20 0 HIADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000542456472 939825955 /nfs/dbraw/zinc/82/59/55/939825955.db2.gz IOFAZOOSQJISDW-MRXNPFEDSA-N -1 1 404.507 4.135 20 0 HIADMM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000542458073 939826268 /nfs/dbraw/zinc/82/62/68/939826268.db2.gz DFZQJAZTCCYDHK-CYBMUJFWSA-N -1 1 410.136 4.466 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)F)c2Cl)o1 ZINC000542576263 939845552 /nfs/dbraw/zinc/84/55/52/939845552.db2.gz CMCRKYZQMYBAIY-UHFFFAOYSA-N -1 1 406.838 4.200 20 0 HIADMM COc1ccc(-c2nc(CC(=O)Nc3ccc([O-])c(Cl)c3)cs2)cc1OC ZINC000542817654 939861414 /nfs/dbraw/zinc/86/14/14/939861414.db2.gz FYULFVCGOFWRBX-UHFFFAOYSA-N -1 1 404.875 4.368 20 0 HIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)c2C1 ZINC000542865540 939864094 /nfs/dbraw/zinc/86/40/94/939864094.db2.gz SSFGBFHNIDFIKP-UHFFFAOYSA-N -1 1 414.449 4.154 20 0 HIADMM CC1(C)CC[C@H](C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000542886413 939865308 /nfs/dbraw/zinc/86/53/08/939865308.db2.gz CIBQPKGCMBRZHH-INIZCTEOSA-N -1 1 404.507 4.069 20 0 HIADMM Cc1nc(-c2ccccc2)sc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000543328899 940032549 /nfs/dbraw/zinc/03/25/49/940032549.db2.gz MQOKHDCYKFGWPM-UHFFFAOYSA-N -1 1 417.494 4.166 20 0 HIADMM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1c(F)cc(Br)cc1F ZINC000543375431 940045929 /nfs/dbraw/zinc/04/59/29/940045929.db2.gz UHARRIGTEHLJPE-UHFFFAOYSA-N -1 1 413.609 4.418 20 0 HIADMM CCCc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cnn1-c1cccc(F)c1 ZINC000543379296 940046844 /nfs/dbraw/zinc/04/68/44/940046844.db2.gz DIZAMVBMOVCPCS-UHFFFAOYSA-N -1 1 405.433 4.312 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)cc1Cl ZINC000543951536 940266010 /nfs/dbraw/zinc/26/60/10/940266010.db2.gz JBYXAHVNXJATJZ-UHFFFAOYSA-N -1 1 402.697 4.414 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@@H]1CCCCS1 ZINC000544018919 940301414 /nfs/dbraw/zinc/30/14/14/940301414.db2.gz CGZHEDRWLUPICS-KRWDZBQOSA-N -1 1 410.948 4.365 20 0 HIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000544098186 940325738 /nfs/dbraw/zinc/32/57/38/940325738.db2.gz HUMJMDNVSFLTPL-UHFFFAOYSA-N -1 1 417.462 4.017 20 0 HIADMM Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000544392549 940410266 /nfs/dbraw/zinc/41/02/66/940410266.db2.gz ZKBIJMMNRMOAHD-UHFFFAOYSA-N -1 1 403.360 4.283 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000544534053 940473750 /nfs/dbraw/zinc/47/37/50/940473750.db2.gz UAASLJPCTXOAAW-UHFFFAOYSA-N -1 1 420.450 4.317 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000544572184 940482247 /nfs/dbraw/zinc/48/22/47/940482247.db2.gz HMXQKZIRXZUPGL-MRXNPFEDSA-N -1 1 402.498 4.416 20 0 HIADMM Cc1ccccc1C(NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1C ZINC000544824704 940517697 /nfs/dbraw/zinc/51/76/97/940517697.db2.gz RUJXBOHISCGRHJ-UHFFFAOYSA-N -1 1 414.509 4.117 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2cc(SC)ccc2C)c1 ZINC000544844128 940518723 /nfs/dbraw/zinc/51/87/23/940518723.db2.gz OMDKSWKPAXPQTI-UHFFFAOYSA-N -1 1 402.335 4.289 20 0 HIADMM O=C(N[C@@H](c1ccco1)c1ccccc1)c1ccc(I)c([O-])c1 ZINC000544863576 940520136 /nfs/dbraw/zinc/52/01/36/940520136.db2.gz PICWRRSDEAGBLN-QGZVFWFLSA-N -1 1 419.218 4.109 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N(Cc1ccccn1)C1CC1 ZINC000544892558 940522503 /nfs/dbraw/zinc/52/25/03/940522503.db2.gz NQUHEJGGIMEZFJ-UHFFFAOYSA-N -1 1 422.510 4.079 20 0 HIADMM Cc1ccccc1-c1cnc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)o1 ZINC000563933950 945329163 /nfs/dbraw/zinc/32/91/63/945329163.db2.gz WWKFZACCFJRHAD-UHFFFAOYSA-N -1 1 414.874 4.062 20 0 HIADMM Cc1ccccc1-c1cnc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)o1 ZINC000563933950 945329171 /nfs/dbraw/zinc/32/91/71/945329171.db2.gz WWKFZACCFJRHAD-UHFFFAOYSA-N -1 1 414.874 4.062 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc([C@H]3CCO[C@H](C)C3)no2)cc1 ZINC000545091940 940541732 /nfs/dbraw/zinc/54/17/32/940541732.db2.gz HAZGMEZATRGDIW-WBVHZDCISA-N -1 1 413.499 4.128 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc([C@@H]3CCCCS3)no2)cc1 ZINC000545103427 940542896 /nfs/dbraw/zinc/54/28/96/940542896.db2.gz QIZXBUPADJFILZ-KRWDZBQOSA-N -1 1 401.513 4.496 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)CCC2CC2)c(C(F)(F)F)c1)c1ccoc1 ZINC000545151671 940551421 /nfs/dbraw/zinc/55/14/21/940551421.db2.gz UUWXSHHMJSFWGM-UHFFFAOYSA-N -1 1 402.394 4.093 20 0 HIADMM CCOc1cc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc(Cl)c1[O-] ZINC000545168265 940553531 /nfs/dbraw/zinc/55/35/31/940553531.db2.gz BQKYZJNSSDBJNN-UHFFFAOYSA-N -1 1 422.953 4.089 20 0 HIADMM CCOc1cc(C(=O)N(Cc2ccccc2OC)C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000545170119 940553878 /nfs/dbraw/zinc/55/38/78/940553878.db2.gz QMXNCWFIHLBRSE-KRWDZBQOSA-N -1 1 419.905 4.274 20 0 HIADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)s2)c1C ZINC000545220193 940556868 /nfs/dbraw/zinc/55/68/68/940556868.db2.gz CSBYNYZWHWBAEP-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1 ZINC000545447780 940570355 /nfs/dbraw/zinc/57/03/55/940570355.db2.gz GDYMUFVSCCQNNC-UHFFFAOYSA-N -1 1 414.321 4.184 20 0 HIADMM Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000545482514 940571638 /nfs/dbraw/zinc/57/16/38/940571638.db2.gz BXCPMZDKFXXJGS-UHFFFAOYSA-N -1 1 411.239 4.345 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)CC[C@@H]1c1ccccc1 ZINC000545494441 940572007 /nfs/dbraw/zinc/57/20/07/940572007.db2.gz RRILNXFBBBJUKZ-CJNGLKHVSA-N -1 1 421.278 4.263 20 0 HIADMM O=C(NC1(c2cccc(Cl)c2)CC1)c1ccc(I)c([O-])c1 ZINC000545493892 940572010 /nfs/dbraw/zinc/57/20/10/940572010.db2.gz GHXSRXKNZBKZKJ-UHFFFAOYSA-N -1 1 413.642 4.069 20 0 HIADMM C[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C[C@@H](C)C1 ZINC000545514042 940572648 /nfs/dbraw/zinc/57/26/48/940572648.db2.gz MUXALAJDTOFWRX-IRXDYDNUSA-N -1 1 401.532 4.387 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@H]3CCCO3)no2)cc1)c1ccc(F)c(Cl)c1 ZINC000545775057 940584977 /nfs/dbraw/zinc/58/49/77/940584977.db2.gz QFKHIFJJKUBUIL-MRXNPFEDSA-N -1 1 423.853 4.181 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc([C@H]4CCO[C@H](C)C4)no3)c2)cc1 ZINC000545798845 940600722 /nfs/dbraw/zinc/60/07/22/940600722.db2.gz NIURRPKDQWDFOM-CVEARBPZSA-N -1 1 413.499 4.128 20 0 HIADMM CCOc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc(Cl)c1[O-] ZINC000545843426 940628664 /nfs/dbraw/zinc/62/86/64/940628664.db2.gz RYCKRAOBHUUGPV-QGZVFWFLSA-N -1 1 419.905 4.127 20 0 HIADMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000563991223 945339160 /nfs/dbraw/zinc/33/91/60/945339160.db2.gz GXTSSUDXMNHMIO-UHFFFAOYSA-N -1 1 408.439 4.033 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nc(C4CC4)no3)c2)cc1 ZINC000546315473 940779537 /nfs/dbraw/zinc/77/95/37/940779537.db2.gz JILVBSCDQBFPLI-UHFFFAOYSA-N -1 1 419.890 4.467 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(COC4CCCC4)no3)cc2)cc1 ZINC000546482186 940832046 /nfs/dbraw/zinc/83/20/46/940832046.db2.gz WOSIOHQZIJUCTJ-UHFFFAOYSA-N -1 1 413.499 4.305 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc([C@@H]4CCO[C@H](C)C4)no3)c2)c1 ZINC000546506854 940838805 /nfs/dbraw/zinc/83/88/05/940838805.db2.gz QZXIJTNGNQDYRW-HZPDHXFCSA-N -1 1 413.499 4.128 20 0 HIADMM CCOc1cc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)cc(Cl)c1[O-] ZINC000546564914 940854683 /nfs/dbraw/zinc/85/46/83/940854683.db2.gz JQIGWEUROZYQCK-UHFFFAOYSA-N -1 1 410.655 4.335 20 0 HIADMM O=C(NCc1cc(F)cc(F)c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546929413 940916571 /nfs/dbraw/zinc/91/65/71/940916571.db2.gz QSCCFUGAEIGIMB-UHFFFAOYSA-N -1 1 417.437 4.087 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)c(C)c1F ZINC000564046589 945362335 /nfs/dbraw/zinc/36/23/35/945362335.db2.gz UJBSAGZOUIIUBB-UHFFFAOYSA-N -1 1 405.451 4.117 20 0 HIADMM Cc1ccnc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)c3)n2)c1 ZINC000546996811 940948140 /nfs/dbraw/zinc/94/81/40/940948140.db2.gz BEWSLDBTMDBTLY-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(-c3ncccc3C)no2)cc1 ZINC000547022133 940961205 /nfs/dbraw/zinc/96/12/05/940961205.db2.gz UBPRYZCTZXYBTQ-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(F)cc1Br ZINC000564063672 945367675 /nfs/dbraw/zinc/36/76/75/945367675.db2.gz GQRIHVNZHKSQQW-UHFFFAOYSA-N -1 1 401.232 4.318 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)c1)c1ccccc1 ZINC000547160971 941015899 /nfs/dbraw/zinc/01/58/99/941015899.db2.gz RRHNTQSIYXWIFX-UHFFFAOYSA-N -1 1 417.450 4.081 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1C(=O)OC(C)C ZINC000564061971 945368537 /nfs/dbraw/zinc/36/85/37/945368537.db2.gz MMBIFVZBIWDNQM-UHFFFAOYSA-N -1 1 414.483 4.324 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc(Cl)c1[O-] ZINC000547257732 941045587 /nfs/dbraw/zinc/04/55/87/941045587.db2.gz SDYDOOFOIGXWKO-GFCCVEGCSA-N -1 1 417.815 4.137 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000547259532 941046027 /nfs/dbraw/zinc/04/60/27/941046027.db2.gz OZQWZTAXYWYCHV-CRAIPNDOSA-N -1 1 414.260 4.497 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc(Cl)c1[O-] ZINC000547268826 941049154 /nfs/dbraw/zinc/04/91/54/941049154.db2.gz TZJHYYMQJNSPQJ-NSHDSACASA-N -1 1 419.840 4.433 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc(Cl)c1[O-] ZINC000547289945 941052826 /nfs/dbraw/zinc/05/28/26/941052826.db2.gz JKZCGGJQDHQGTL-UHFFFAOYSA-N -1 1 402.878 4.241 20 0 HIADMM CCOc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc(Cl)c1[O-] ZINC000547291485 941053268 /nfs/dbraw/zinc/05/32/68/941053268.db2.gz DZNPMWYYKLXOEO-IBGZPJMESA-N -1 1 403.862 4.097 20 0 HIADMM CCc1nc2cc(S(=O)(=O)Nc3ccc(C)cc3SCCC(=O)[O-])ccc2o1 ZINC000547552243 941068430 /nfs/dbraw/zinc/06/84/30/941068430.db2.gz AJHGUFVLZFRABE-UHFFFAOYSA-N -1 1 420.512 4.066 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2oc3c(cccc3Cl)c2C)n[n-]1 ZINC000548723001 941121369 /nfs/dbraw/zinc/12/13/69/941121369.db2.gz GSHABDLVEHRCLI-AWEZNQCLSA-N -1 1 418.881 4.207 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2oc3c(cccc3Cl)c2C)[n-]1 ZINC000548723001 941121370 /nfs/dbraw/zinc/12/13/70/941121370.db2.gz GSHABDLVEHRCLI-AWEZNQCLSA-N -1 1 418.881 4.207 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2oc3c(cccc3Cl)c2C)n1 ZINC000548723001 941121371 /nfs/dbraw/zinc/12/13/71/941121371.db2.gz GSHABDLVEHRCLI-AWEZNQCLSA-N -1 1 418.881 4.207 20 0 HIADMM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1coc(C2CCOCC2)n1 ZINC000548939551 941131215 /nfs/dbraw/zinc/13/12/15/941131215.db2.gz XMFGRYGIMACWLP-UHFFFAOYSA-N -1 1 420.491 4.104 20 0 HIADMM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)c1 ZINC000548944031 941131787 /nfs/dbraw/zinc/13/17/87/941131787.db2.gz FOBABMLTQADYNQ-UHFFFAOYSA-N -1 1 418.902 4.169 20 0 HIADMM COc1ccc(CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)cc1OC(F)F ZINC000549186199 941169484 /nfs/dbraw/zinc/16/94/84/941169484.db2.gz ISLHWQWFYAMQKK-UHFFFAOYSA-N -1 1 422.815 4.476 20 0 HIADMM Cc1ccc(OCc2nc(CC(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cs2)cc1 ZINC000549584168 941200367 /nfs/dbraw/zinc/20/03/67/941200367.db2.gz FPNVGCXNHFNPGD-UHFFFAOYSA-N -1 1 420.494 4.307 20 0 HIADMM CC(=O)c1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cs1 ZINC000549723134 941205689 /nfs/dbraw/zinc/20/56/89/941205689.db2.gz ROZWZWDUXBKQOR-UHFFFAOYSA-N -1 1 418.471 4.143 20 0 HIADMM Cc1nc2ccc(NC(=O)c3nn(-c4ccccc4C(F)(F)F)cc3[O-])cc2[nH]1 ZINC000549823140 941208609 /nfs/dbraw/zinc/20/86/09/941208609.db2.gz ABWNKTKIKMTTGG-UHFFFAOYSA-N -1 1 401.348 4.034 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000549973200 941255659 /nfs/dbraw/zinc/25/56/59/941255659.db2.gz QGDUTAOWBPZDJL-UHFFFAOYSA-N -1 1 401.397 4.405 20 0 HIADMM COCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCC1 ZINC000550264980 941305802 /nfs/dbraw/zinc/30/58/02/941305802.db2.gz VQXQLEIBWHRCQA-UHFFFAOYSA-N -1 1 422.934 4.204 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cnn(C(C)C)c3)ccc2C)cc1 ZINC000550571700 941340624 /nfs/dbraw/zinc/34/06/24/941340624.db2.gz NJDNLEMQLMDHPI-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CC(C)(c1noc(C[N-]S(=O)(=O)c2cccs2)n1)c1cccc2ccccc21 ZINC000551121060 941413866 /nfs/dbraw/zinc/41/38/66/941413866.db2.gz XTWXMSXUQFQFDQ-UHFFFAOYSA-N -1 1 413.524 4.089 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)cc2CC1 ZINC000551386854 941466835 /nfs/dbraw/zinc/46/68/35/941466835.db2.gz WZBGYFVSIGOBEL-UHFFFAOYSA-N -1 1 420.534 4.102 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cccc(Br)c1Cl ZINC000551470979 941486653 /nfs/dbraw/zinc/48/66/53/941486653.db2.gz WWMHABBPVSZJJL-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc1C(F)(F)F ZINC000551475816 941487162 /nfs/dbraw/zinc/48/71/62/941487162.db2.gz ZIVJPUXGWQRQGZ-NSHDSACASA-N -1 1 417.405 4.000 20 0 HIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000551952303 941563186 /nfs/dbraw/zinc/56/31/86/941563186.db2.gz KQVNGKZIRRUJPT-UHFFFAOYSA-N -1 1 412.696 4.155 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)NCc3ccccc3)ccc2C)c1 ZINC000552177650 941597120 /nfs/dbraw/zinc/59/71/20/941597120.db2.gz YJTBZNUKGYAMHI-UHFFFAOYSA-N -1 1 409.511 4.426 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)cc1 ZINC000553070796 941828114 /nfs/dbraw/zinc/82/81/14/941828114.db2.gz DHEFRULKLYNZHW-NRFANRHFSA-N -1 1 412.555 4.447 20 0 HIADMM O=C1NCc2ccc([N-]S(=O)(=O)c3ccc(Oc4cccc(Cl)c4)cc3)cc21 ZINC000553436511 941884616 /nfs/dbraw/zinc/88/46/16/941884616.db2.gz CMONHLYLXBDVJT-UHFFFAOYSA-N -1 1 414.870 4.177 20 0 HIADMM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000553680663 941943093 /nfs/dbraw/zinc/94/30/93/941943093.db2.gz DPKYGSARGAXHHC-UHFFFAOYSA-N -1 1 411.614 4.041 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(F)cc(F)c3F)cc2)cc1 ZINC000554071992 942029703 /nfs/dbraw/zinc/02/97/03/942029703.db2.gz OASWEFZLUAYZJY-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000555001440 942350356 /nfs/dbraw/zinc/35/03/56/942350356.db2.gz CGNADDQZGBBVIR-WOJBJXKFSA-N -1 1 416.543 4.248 20 0 HIADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)c1C ZINC000555432762 942529391 /nfs/dbraw/zinc/52/93/91/942529391.db2.gz PDYCLOLVIXXGHY-UHFFFAOYSA-N -1 1 413.124 4.151 20 0 HIADMM CC1(C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000555502682 942605377 /nfs/dbraw/zinc/60/53/77/942605377.db2.gz RJNTWRNOJQFYAJ-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM O=S(=O)([N-]Cc1cnc(-c2ccc(Cl)cc2)s1)c1cccc(F)c1F ZINC000556358104 942849494 /nfs/dbraw/zinc/84/94/94/942849494.db2.gz NSNMUAJKRRRBGF-UHFFFAOYSA-N -1 1 400.859 4.220 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c2c1NCCC2 ZINC000557039446 943001566 /nfs/dbraw/zinc/00/15/66/943001566.db2.gz DPKKZTYISPOVNT-UHFFFAOYSA-N -1 1 421.522 4.406 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)c2)cc1 ZINC000557359111 943086053 /nfs/dbraw/zinc/08/60/53/943086053.db2.gz XPYRTWVNAHIISC-FCHUYYIVSA-N -1 1 424.497 4.221 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](CC4CC4)C3)c2)cc1F ZINC000557925531 943330485 /nfs/dbraw/zinc/33/04/85/943330485.db2.gz YPEJAVOTSNAXLV-QGZVFWFLSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)c(C)cc1Br ZINC000558179614 943413255 /nfs/dbraw/zinc/41/32/55/943413255.db2.gz HNSJUELNUYAETM-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)N=c3nc(-c4ccsc4)[n-]s3)[nH]c2c1 ZINC000560036616 944135145 /nfs/dbraw/zinc/13/51/45/944135145.db2.gz FDRWAAYHUPJFGQ-OAHLLOKOSA-N -1 1 410.528 4.242 20 0 HIADMM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 ZINC000560472146 944235555 /nfs/dbraw/zinc/23/55/55/944235555.db2.gz MIDJIOLKOUEJTB-HNNXBMFYSA-N -1 1 400.283 4.142 20 0 HIADMM O=C(Nc1c(O)cccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000560822746 944346654 /nfs/dbraw/zinc/34/66/54/944346654.db2.gz WRKDHSJZHAHXHN-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000561001105 944392316 /nfs/dbraw/zinc/39/23/16/944392316.db2.gz HHYUKPVOUIJBJQ-UHFFFAOYSA-N -1 1 411.424 4.001 20 0 HIADMM Cc1nc(-c2ccc(N(C)CCCc3cc(-c4ccccc4)n[nH]3)nc2)[n-]c(=O)c1C ZINC000561030660 944402792 /nfs/dbraw/zinc/40/27/92/944402792.db2.gz YUNFUYMOQGDTNS-UHFFFAOYSA-N -1 1 414.513 4.320 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(F)(F)[C@H](C)C3)c2)c1 ZINC000564380569 945545028 /nfs/dbraw/zinc/54/50/28/945545028.db2.gz QAPWGPWXTZRRPO-MRXNPFEDSA-N -1 1 422.497 4.222 20 0 HIADMM CO[C@@H](c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n1)C(C)C ZINC000564630070 945716510 /nfs/dbraw/zinc/71/65/10/945716510.db2.gz WGJKRWIQRPYDNO-LJQANCHMSA-N -1 1 415.515 4.498 20 0 HIADMM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000565284636 945804022 /nfs/dbraw/zinc/80/40/22/945804022.db2.gz GUJKLONVZIEZLP-NSHDSACASA-N -1 1 412.298 4.225 20 0 HIADMM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000565284636 945804026 /nfs/dbraw/zinc/80/40/26/945804026.db2.gz GUJKLONVZIEZLP-NSHDSACASA-N -1 1 412.298 4.225 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000565375265 945818674 /nfs/dbraw/zinc/81/86/74/945818674.db2.gz FYWKBAVBBIDBEB-LBPRGKRZSA-N -1 1 424.810 4.286 20 0 HIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000565688394 945868017 /nfs/dbraw/zinc/86/80/17/945868017.db2.gz XKFHZFYIPSASCR-UHFFFAOYSA-N -1 1 403.884 4.163 20 0 HIADMM COc1ccc(CC(=O)Nc2c([O-])cc(Br)cc2Cl)cc1OC ZINC000566611865 946055752 /nfs/dbraw/zinc/05/57/52/946055752.db2.gz YNGABPADRDQWHE-UHFFFAOYSA-N -1 1 400.656 4.007 20 0 HIADMM CC(C)c1scnc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000566816242 946109611 /nfs/dbraw/zinc/10/96/11/946109611.db2.gz ARFJEBYUCZRAOP-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1 ZINC000567530105 946363799 /nfs/dbraw/zinc/36/37/99/946363799.db2.gz ZSMQSTDXDKAKJP-UHFFFAOYSA-N -1 1 412.298 4.126 20 0 HIADMM CCCCOC1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000567801409 946415700 /nfs/dbraw/zinc/41/57/00/946415700.db2.gz BNVOELDPYKGCLH-UHFFFAOYSA-N -1 1 407.308 4.124 20 0 HIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1)[C@@H](C)C(C)C ZINC000568330008 946511304 /nfs/dbraw/zinc/51/13/04/946511304.db2.gz QLMNREUMLXWCOZ-INIZCTEOSA-N -1 1 406.523 4.442 20 0 HIADMM O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000569023746 946801379 /nfs/dbraw/zinc/80/13/79/946801379.db2.gz XBLDOGRGNADOCU-OAHLLOKOSA-N -1 1 413.861 4.027 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(c1nccs1)C2)c1ccc(C(F)F)cc1 ZINC000570878647 947379943 /nfs/dbraw/zinc/37/99/43/947379943.db2.gz BZXDTYBCLAPNRL-UHFFFAOYSA-N -1 1 407.467 4.402 20 0 HIADMM COc1cc(C)c(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc1OC ZINC000571090931 947487338 /nfs/dbraw/zinc/48/73/38/947487338.db2.gz LAUILBQINHXJSH-UHFFFAOYSA-N -1 1 400.656 4.386 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)c1 ZINC000571913631 947810351 /nfs/dbraw/zinc/81/03/51/947810351.db2.gz OOVQJZICIOSKCX-UHFFFAOYSA-N -1 1 410.923 4.020 20 0 HIADMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000572314683 947881993 /nfs/dbraw/zinc/88/19/93/947881993.db2.gz JVBSGIUCOMACCR-UHFFFAOYSA-N -1 1 404.879 4.301 20 0 HIADMM Cc1cccn(Cc2c(F)cccc2NC(=O)Nc2ccc([O-])c(Cl)c2)c1=O ZINC000572679046 947979129 /nfs/dbraw/zinc/97/91/29/947979129.db2.gz MRPZBQRCRYDSHD-UHFFFAOYSA-N -1 1 401.825 4.347 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccccc3CCC(C)C)cc2CC1 ZINC000573629516 948257430 /nfs/dbraw/zinc/25/74/30/948257430.db2.gz CXGNUXRNSFTWIU-UHFFFAOYSA-N -1 1 414.571 4.023 20 0 HIADMM Cn1c(CSc2nc(C(F)F)cc(=O)[n-]2)nc2ccc(Br)cc21 ZINC000574004254 948347423 /nfs/dbraw/zinc/34/74/23/948347423.db2.gz WPKYKHBNYZRMCW-UHFFFAOYSA-N -1 1 401.236 4.061 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)[C@H](C)C(C)C)cc2)cc1 ZINC000574121975 948371006 /nfs/dbraw/zinc/37/10/06/948371006.db2.gz YAOSQDFLOTXVAA-QGZVFWFLSA-N -1 1 418.559 4.393 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)ccc1C ZINC000574388899 948431252 /nfs/dbraw/zinc/43/12/52/948431252.db2.gz SNUJDBDUNPKULG-UHFFFAOYSA-N -1 1 424.522 4.376 20 0 HIADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000574445844 948446042 /nfs/dbraw/zinc/44/60/42/948446042.db2.gz UCZOBJXUBQUATR-WCBMZHEXSA-N -1 1 403.198 4.116 20 0 HIADMM O=C(Nc1cccc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)c1)C1CCC1 ZINC000574554629 948470891 /nfs/dbraw/zinc/47/08/91/948470891.db2.gz KGJDDQSRLXSZHT-UHFFFAOYSA-N -1 1 413.437 4.096 20 0 HIADMM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1nc(-c2ccccc2F)n[n-]1 ZINC000574715804 948510166 /nfs/dbraw/zinc/51/01/66/948510166.db2.gz NRVDYRKNDCSUOE-SECBINFHSA-N -1 1 400.262 4.453 20 0 HIADMM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000574715804 948510169 /nfs/dbraw/zinc/51/01/69/948510169.db2.gz NRVDYRKNDCSUOE-SECBINFHSA-N -1 1 400.262 4.453 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000574908448 948551967 /nfs/dbraw/zinc/55/19/67/948551967.db2.gz KHADJPCOXYHSJS-SSDOTTSWSA-N -1 1 419.372 4.005 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000435936176 861197436 /nfs/dbraw/zinc/19/74/36/861197436.db2.gz MACZNFYQWSNJQI-WMZOPIPTSA-N -1 1 420.488 4.077 20 0 HIADMM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc(Br)c([O-])c1 ZINC000435959683 861221258 /nfs/dbraw/zinc/22/12/58/861221258.db2.gz ONIUORRPDXCWBB-SMDDNHRTSA-N -1 1 411.093 4.203 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3CCC(F)(F)C3)ccc2C)c1 ZINC000435962873 861224410 /nfs/dbraw/zinc/22/44/10/861224410.db2.gz YLKZUSCSWJTNSS-INIZCTEOSA-N -1 1 422.497 4.269 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1 ZINC000436015842 861309002 /nfs/dbraw/zinc/30/90/02/861309002.db2.gz XMTKMRXPUXCJSP-UHFFFAOYSA-N -1 1 410.318 4.077 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1Br ZINC000436025151 861318415 /nfs/dbraw/zinc/31/84/15/861318415.db2.gz VASIOGLKHQHOOW-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)cc1Cl ZINC000436032094 861323340 /nfs/dbraw/zinc/32/33/40/861323340.db2.gz ZVJXTJCJTQXYLA-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2nnc(C(=O)Nc3ccc(CC)cc3)s2)n1 ZINC000436137593 861432484 /nfs/dbraw/zinc/43/24/84/861432484.db2.gz VQJLPSCVXDAKRK-UHFFFAOYSA-N -1 1 415.544 4.093 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)o1 ZINC000006919694 845225525 /nfs/dbraw/zinc/22/55/25/845225525.db2.gz QSEJSSUGRQICKA-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1OCC ZINC000007050922 845242064 /nfs/dbraw/zinc/24/20/64/845242064.db2.gz JKFVWPCLGXFNNC-UHFFFAOYSA-N -1 1 400.294 4.047 20 0 HIADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000436245660 861553795 /nfs/dbraw/zinc/55/37/95/861553795.db2.gz NJHHXZUBBBPZLZ-LBPRGKRZSA-N -1 1 404.561 4.363 20 0 HIADMM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000007403671 845322175 /nfs/dbraw/zinc/32/21/75/845322175.db2.gz GOJDGEXVAROUIU-UHFFFAOYSA-N -1 1 408.676 4.441 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1OCC ZINC000007907297 845444427 /nfs/dbraw/zinc/44/44/27/845444427.db2.gz SWRSFEMEQCNOKT-UHFFFAOYSA-N -1 1 404.532 4.275 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(F)ccc3C)c2)cc1 ZINC000008033311 845463955 /nfs/dbraw/zinc/46/39/55/845463955.db2.gz HXIAKHBGAUAGJD-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(NCCSc1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000008172579 845484687 /nfs/dbraw/zinc/48/46/87/845484687.db2.gz RQRYQAYYJNCFOW-UHFFFAOYSA-N -1 1 412.536 4.010 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)ccn1 ZINC000436271336 861582250 /nfs/dbraw/zinc/58/22/50/861582250.db2.gz CVNUMUOBLGCSBJ-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3sccc3C2)cc1 ZINC000009896669 845601179 /nfs/dbraw/zinc/60/11/79/845601179.db2.gz LLKGYNNKUWKIMZ-UHFFFAOYSA-N -1 1 412.536 4.056 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc2ccccc2n1 ZINC000009903415 845602502 /nfs/dbraw/zinc/60/25/02/845602502.db2.gz YDAJWHVAMXCOBR-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)n1 ZINC000011241511 845770882 /nfs/dbraw/zinc/77/08/82/845770882.db2.gz WEBSYNPCCVJBNM-CYBMUJFWSA-N -1 1 406.577 4.438 20 0 HIADMM CC(C)C(=O)Nc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000011718682 845828920 /nfs/dbraw/zinc/82/89/20/845828920.db2.gz MVQUBERSXKFZDZ-UHFFFAOYSA-N -1 1 415.544 4.292 20 0 HIADMM O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)c1ccc([O-])cc1O ZINC000012105483 845853862 /nfs/dbraw/zinc/85/38/62/845853862.db2.gz FMQWMQLNBXFVLM-UHFFFAOYSA-N -1 1 417.490 4.244 20 0 HIADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Nc1ccc(C)cc1 ZINC000013059958 845904057 /nfs/dbraw/zinc/90/40/57/845904057.db2.gz AMUZDQPLOPBCPC-UHFFFAOYSA-N -1 1 412.467 4.246 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1N1CCOCC1)c1ccc2ccccc2c1 ZINC000014097763 845924946 /nfs/dbraw/zinc/92/49/46/845924946.db2.gz DLQXNQWUQRKUHI-UHFFFAOYSA-N -1 1 402.903 4.131 20 0 HIADMM CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1Cl ZINC000015339434 846036610 /nfs/dbraw/zinc/03/66/10/846036610.db2.gz POIFQESNUUJQAT-UHFFFAOYSA-N -1 1 424.950 4.460 20 0 HIADMM COc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015353054 846039046 /nfs/dbraw/zinc/03/90/46/846039046.db2.gz WHYUPMOIPKTFIR-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000015413129 846045540 /nfs/dbraw/zinc/04/55/40/846045540.db2.gz FFKVWMRSABMNLS-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1 ZINC000015434212 846048560 /nfs/dbraw/zinc/04/85/60/846048560.db2.gz MIIDGDGIEFLZDV-IAGOWNOFSA-N -1 1 416.543 4.004 20 0 HIADMM CC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000015542036 846061494 /nfs/dbraw/zinc/06/14/94/846061494.db2.gz PFFULHQDXAJRLL-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1C ZINC000015563529 846063229 /nfs/dbraw/zinc/06/32/29/846063229.db2.gz GRWCHNHSHHZYDZ-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCCC3)cc2)cc1 ZINC000015617585 846073950 /nfs/dbraw/zinc/07/39/50/846073950.db2.gz QWSDQOYZQBIREM-UHFFFAOYSA-N -1 1 414.527 4.143 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000015705264 846085220 /nfs/dbraw/zinc/08/52/20/846085220.db2.gz OFRSXQMUHRLXTF-UHFFFAOYSA-N -1 1 412.483 4.459 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@@H]1CC=CCC1 ZINC000015709307 846086373 /nfs/dbraw/zinc/08/63/73/846086373.db2.gz SZNPQMOHVSURMT-CQSZACIVSA-N -1 1 420.918 4.444 20 0 HIADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015797291 846092135 /nfs/dbraw/zinc/09/21/35/846092135.db2.gz KVAMVZDGWDYFTB-DJJJIMSYSA-N -1 1 408.470 4.074 20 0 HIADMM Cc1c2cc(Br)ccc2oc1C(=O)[N-]NC(=O)c1cc2c(s1)CCC2 ZINC000015856066 846100977 /nfs/dbraw/zinc/10/09/77/846100977.db2.gz XXCDIKBVWBQFTN-UHFFFAOYSA-N -1 1 419.300 4.129 20 0 HIADMM O=C(Nc1cccc2ncccc21)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015980240 846107386 /nfs/dbraw/zinc/10/73/86/846107386.db2.gz OOTOJKZKCNTNMV-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016099451 846123442 /nfs/dbraw/zinc/12/34/42/846123442.db2.gz WEAAOYGIMVDNQN-UHFFFAOYSA-N -1 1 413.295 4.254 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1ccc(F)c(F)c1F ZINC000016096303 846123651 /nfs/dbraw/zinc/12/36/51/846123651.db2.gz RRJAGAQJSXQGNB-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM C[C@@H](c1cccs1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016273188 846145403 /nfs/dbraw/zinc/14/54/03/846145403.db2.gz VPSAIBRIFLLIDZ-HNNXBMFYSA-N -1 1 400.525 4.382 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000016504657 846179639 /nfs/dbraw/zinc/17/96/39/846179639.db2.gz IAZYRXVSSQHRIG-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000016644080 846193918 /nfs/dbraw/zinc/19/39/18/846193918.db2.gz UXLCKLJPDGUEIB-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc2C)cc1 ZINC000017304265 846242479 /nfs/dbraw/zinc/24/24/79/846242479.db2.gz ZDTPFPPDRPMWLV-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1C ZINC000017322115 846246116 /nfs/dbraw/zinc/24/61/16/846246116.db2.gz KQEQXBPTVSOJMK-UHFFFAOYSA-N -1 1 420.534 4.303 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000017356851 846249750 /nfs/dbraw/zinc/24/97/50/846249750.db2.gz DCMVEHCFOLEILH-UHFFFAOYSA-N -1 1 414.527 4.095 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3O)ccc2C)c1 ZINC000017410451 846252489 /nfs/dbraw/zinc/25/24/89/846252489.db2.gz NGHKRHRUCIOWDE-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](C)c3ccccc3)c2)cc1 ZINC000017849412 846273840 /nfs/dbraw/zinc/27/38/40/846273840.db2.gz HEZJAOKTKCJNJK-KRWDZBQOSA-N -1 1 424.522 4.030 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)o1 ZINC000017957481 846279557 /nfs/dbraw/zinc/27/95/57/846279557.db2.gz GDQLLQKTZOMOPY-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000018009803 846283230 /nfs/dbraw/zinc/28/32/30/846283230.db2.gz ZYYLIFSGTBUWSX-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000018096106 846294621 /nfs/dbraw/zinc/29/46/21/846294621.db2.gz ZBIULSFOXWRFJI-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2ccccc2C)cc1 ZINC000018104794 846295985 /nfs/dbraw/zinc/29/59/85/846295985.db2.gz RSDUSWFGJDSAEX-UHFFFAOYSA-N -1 1 410.543 4.064 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3ccccc3)c2)cc1 ZINC000018124844 846299989 /nfs/dbraw/zinc/29/99/89/846299989.db2.gz DQADVDJCWFSNEP-KRWDZBQOSA-N -1 1 424.522 4.329 20 0 HIADMM Cc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000018833949 846343718 /nfs/dbraw/zinc/34/37/18/846343718.db2.gz AOKCNTFRTVQKLI-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1ccccc1CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000018832217 846343879 /nfs/dbraw/zinc/34/38/79/846343879.db2.gz RKFUJPCDTNJQOO-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000021207729 846417649 /nfs/dbraw/zinc/41/76/49/846417649.db2.gz BSQGDIUCXQQRJQ-LJQANCHMSA-N -1 1 405.454 4.098 20 0 HIADMM Cc1ccc(-c2cnc(CCC(=O)OCc3cc(=O)oc4cc([O-])ccc34)o2)cc1 ZINC000021584761 846466023 /nfs/dbraw/zinc/46/60/23/846466023.db2.gz QJUHBMSFXYGKTP-UHFFFAOYSA-N -1 1 405.406 4.138 20 0 HIADMM Cc1ccccc1OCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000021978446 846517399 /nfs/dbraw/zinc/51/73/99/846517399.db2.gz QVSTURPRJCXRRC-UHFFFAOYSA-N -1 1 406.463 4.082 20 0 HIADMM COCc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000021990929 846517630 /nfs/dbraw/zinc/51/76/30/846517630.db2.gz ATUPEESNAPDTCH-UHFFFAOYSA-N -1 1 406.463 4.155 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000022322893 846558012 /nfs/dbraw/zinc/55/80/12/846558012.db2.gz IBEJIIPZPDODQO-UHFFFAOYSA-N -1 1 424.497 4.431 20 0 HIADMM CCCCc1nnc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1 ZINC000023364631 846690218 /nfs/dbraw/zinc/69/02/18/846690218.db2.gz OYPBPFHFFSAOGQ-UHFFFAOYSA-N -1 1 410.528 4.442 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C)C#N)cc1 ZINC000023416985 846698715 /nfs/dbraw/zinc/69/87/15/846698715.db2.gz FQYDWCJAQAKVJA-OAHLLOKOSA-N -1 1 400.500 4.162 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)CC[C@@H]3C)c2)cc1 ZINC000436371921 861710967 /nfs/dbraw/zinc/71/09/67/861710967.db2.gz UISYHCDHCAXNLF-SJORKVTESA-N -1 1 416.543 4.147 20 0 HIADMM CCc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000023596291 846725483 /nfs/dbraw/zinc/72/54/83/846725483.db2.gz VNXSOIPALSGOED-UHFFFAOYSA-N -1 1 408.523 4.322 20 0 HIADMM Cc1c2cc(Br)ccc2oc1C(=O)[N-]NC(=O)Cc1ccc(Cl)cc1 ZINC000024304116 846811647 /nfs/dbraw/zinc/81/16/47/846811647.db2.gz FDWOGHAEADJDOZ-UHFFFAOYSA-N -1 1 421.678 4.161 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)CCCCCC2)no1 ZINC000024689039 846853889 /nfs/dbraw/zinc/85/38/89/846853889.db2.gz GRPUFLPKZAILGO-UHFFFAOYSA-N -1 1 404.319 4.213 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)CCCCCC2)no1 ZINC000024689128 846854374 /nfs/dbraw/zinc/85/43/74/846854374.db2.gz PROFRJOOBZCVDM-UHFFFAOYSA-N -1 1 404.319 4.213 20 0 HIADMM O=S(=O)([N-]Cc1ccccc1OC(F)(F)F)c1cc(Cl)sc1Cl ZINC000024712482 846857183 /nfs/dbraw/zinc/85/71/83/846857183.db2.gz ONCKRFXUYWDRJD-UHFFFAOYSA-N -1 1 406.234 4.432 20 0 HIADMM CC(C)c1nnc([N-]C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)s1 ZINC000025048332 846911498 /nfs/dbraw/zinc/91/14/98/846911498.db2.gz WVWWBRZHPYQIQG-UHFFFAOYSA-N -1 1 414.491 4.362 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nccs3)c2)c1 ZINC000025176657 846936631 /nfs/dbraw/zinc/93/66/31/846936631.db2.gz WIUGVRZGCWLJQA-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM COCc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000025335449 846962994 /nfs/dbraw/zinc/96/29/94/846962994.db2.gz AUVFUCRGMDTVSY-UHFFFAOYSA-N -1 1 414.458 4.025 20 0 HIADMM CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000025424504 846976724 /nfs/dbraw/zinc/97/67/24/846976724.db2.gz YNTDUBKAUIGBBU-CYBMUJFWSA-N -1 1 414.449 4.425 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000025561889 847002892 /nfs/dbraw/zinc/00/28/92/847002892.db2.gz DUXSSZBBJCIRRU-UHFFFAOYSA-N -1 1 415.544 4.369 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000025812469 847041308 /nfs/dbraw/zinc/04/13/08/847041308.db2.gz OUFAKTJNJFHIHM-SFHVURJKSA-N -1 1 417.531 4.252 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)Cc3c(F)cccc3Cl)n2)n[n-]c1=S ZINC000026091393 847082451 /nfs/dbraw/zinc/08/24/51/847082451.db2.gz WKWFXADFCUPELN-UHFFFAOYSA-N -1 1 423.926 4.148 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1 ZINC000026536812 847165096 /nfs/dbraw/zinc/16/50/96/847165096.db2.gz HRSUAFKWFVNJIA-UHFFFAOYSA-N -1 1 421.462 4.167 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000026548035 847167850 /nfs/dbraw/zinc/16/78/50/847167850.db2.gz DXVKBWKNTUVABP-UHFFFAOYSA-N -1 1 412.467 4.115 20 0 HIADMM O=C(NCc1cccs1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000026565866 847169784 /nfs/dbraw/zinc/16/97/84/847169784.db2.gz XSDCQLLKUHQSOJ-UHFFFAOYSA-N -1 1 406.916 4.132 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc4c[nH]nc43)c2)c1 ZINC000026871401 847211639 /nfs/dbraw/zinc/21/16/39/847211639.db2.gz PZLRIZFWKOSGMG-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1F ZINC000027025319 847236688 /nfs/dbraw/zinc/23/66/88/847236688.db2.gz MQWZFEVQQXZTHU-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)C(C)C)c2)cc1 ZINC000027231826 847270060 /nfs/dbraw/zinc/27/00/60/847270060.db2.gz GOHKNFKJGODCNB-INIZCTEOSA-N -1 1 404.532 4.003 20 0 HIADMM CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1 ZINC000027634255 847330606 /nfs/dbraw/zinc/33/06/06/847330606.db2.gz FTYVTAHVADGLDS-QFIPXVFZSA-N -1 1 423.538 4.052 20 0 HIADMM O=C(NCc1ccco1)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000027801999 847352147 /nfs/dbraw/zinc/35/21/47/847352147.db2.gz KZGIZWNVHSLESQ-UHFFFAOYSA-N -1 1 405.863 4.056 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3CC)cc2)cc1 ZINC000028490629 847426909 /nfs/dbraw/zinc/42/69/09/847426909.db2.gz NZUMYSYBVFOQHK-IBGZPJMESA-N -1 1 416.543 4.291 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000028493174 847427706 /nfs/dbraw/zinc/42/77/06/847427706.db2.gz GBJFYEOFOYUHBP-GJZGRUSLSA-N -1 1 404.507 4.053 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000028494920 847428752 /nfs/dbraw/zinc/42/87/52/847428752.db2.gz NYFVOEXOONEEES-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM O=C(Cc1cccc(F)c1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000028700247 847450729 /nfs/dbraw/zinc/45/07/29/847450729.db2.gz KKZXRLSNBUVMPR-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)cc1 ZINC000029287555 847539218 /nfs/dbraw/zinc/53/92/18/847539218.db2.gz LNENZYTZZNQYLI-QFIPXVFZSA-N -1 1 421.522 4.168 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(=O)[n-]1 ZINC000029344029 847548648 /nfs/dbraw/zinc/54/86/48/847548648.db2.gz DLLAUAMSXFXTMT-HXUWFJFHSA-N -1 1 418.522 4.439 20 0 HIADMM O=C(NCCC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000029343908 847548669 /nfs/dbraw/zinc/54/86/69/847548669.db2.gz QULZNNHEHAXRMX-UHFFFAOYSA-N -1 1 408.470 4.076 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)CC2CCCCC2)cc1 ZINC000029367209 847553025 /nfs/dbraw/zinc/55/30/25/847553025.db2.gz WLHXWZPJIJOWBM-UHFFFAOYSA-N -1 1 400.544 4.448 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC3CCCCC3)c2)cc1 ZINC000029366970 847553259 /nfs/dbraw/zinc/55/32/59/847553259.db2.gz TUQUDDQEWCWHTM-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000029450606 847565850 /nfs/dbraw/zinc/56/58/50/847565850.db2.gz VGKNCKRJIFTLOP-INIZCTEOSA-N -1 1 404.532 4.147 20 0 HIADMM Cc1nc2cc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)ccc2o1 ZINC000029481775 847569513 /nfs/dbraw/zinc/56/95/13/847569513.db2.gz MNMFQBWZPFGCMR-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])C1CCCCC1 ZINC000029697262 847602537 /nfs/dbraw/zinc/60/25/37/847602537.db2.gz COHOTBGPRYVLOG-UHFFFAOYSA-N -1 1 408.907 4.365 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1 ZINC000029997828 847667418 /nfs/dbraw/zinc/66/74/18/847667418.db2.gz FNEVBIWGAXPSLH-RDJZCZTQSA-N -1 1 402.564 4.434 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCC[C@@H](C)C3)cc2)cc1 ZINC000030001002 847667685 /nfs/dbraw/zinc/66/76/85/847667685.db2.gz ZEPRNJJKHFBONU-APWZRJJASA-N -1 1 416.543 4.147 20 0 HIADMM O=C(Nc1ccccc1OC(F)F)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000030011975 847670108 /nfs/dbraw/zinc/67/01/08/847670108.db2.gz IDFHTPYLILEJEV-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3c4ccccc4C[C@H]3C)c2)cc1 ZINC000030011801 847670139 /nfs/dbraw/zinc/67/01/39/847670139.db2.gz BMCNBEFWSDKZOV-QGZVFWFLSA-N -1 1 406.507 4.387 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NC3CCCCCC3)c([O-])c2)c1 ZINC000030016872 847671209 /nfs/dbraw/zinc/67/12/09/847671209.db2.gz GAJWIDXANTWESE-UHFFFAOYSA-N -1 1 412.486 4.114 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[C@@H](C)C3)cc2)c1C ZINC000030016598 847671926 /nfs/dbraw/zinc/67/19/26/847671926.db2.gz NDBPDOFDGXEISO-BEFAXECRSA-N -1 1 400.544 4.413 20 0 HIADMM CCOCc1ccc(CNC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000030123496 847680987 /nfs/dbraw/zinc/68/09/87/847680987.db2.gz LESLSNDMKCBKND-UHFFFAOYSA-N -1 1 410.543 4.159 20 0 HIADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030381743 847708822 /nfs/dbraw/zinc/70/88/22/847708822.db2.gz SJPLIBQGUVPXGS-QRWLVFNGSA-N -1 1 404.507 4.277 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3C)c2)cc1 ZINC000030382183 847709725 /nfs/dbraw/zinc/70/97/25/847709725.db2.gz FXDAOZCTQQBPMI-HRAATJIYSA-N -1 1 416.543 4.147 20 0 HIADMM CCN(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000030476239 847719013 /nfs/dbraw/zinc/71/90/13/847719013.db2.gz BEUNZWVBSNEGCA-UHFFFAOYSA-N -1 1 418.534 4.350 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1)[C@H]1CCCO1 ZINC000030531434 847730672 /nfs/dbraw/zinc/73/06/72/847730672.db2.gz OCSORQWDXNMEAO-OAQYLSRUSA-N -1 1 422.506 4.272 20 0 HIADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436496021 861824573 /nfs/dbraw/zinc/82/45/73/861824573.db2.gz LLZPOXGZBYTNPU-LBPRGKRZSA-N -1 1 424.394 4.478 20 0 HIADMM COc1ccc(C(=O)Nc2nnc(-c3cc(Br)ccc3F)s2)c([O-])c1 ZINC000436499451 861825375 /nfs/dbraw/zinc/82/53/75/861825375.db2.gz ZXFXIGYRPVOPKG-UHFFFAOYSA-N -1 1 424.251 4.073 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1 ZINC000436502327 861827331 /nfs/dbraw/zinc/82/73/31/861827331.db2.gz CFTQJZKREKIMAO-UHFFFAOYSA-N -1 1 422.485 4.117 20 0 HIADMM Cc1cccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)c1 ZINC000031109120 847825088 /nfs/dbraw/zinc/82/50/88/847825088.db2.gz OZEXZHKHQKRZSL-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM CCCN(C(=O)c1ccc(Br)cc1[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000436533314 861839480 /nfs/dbraw/zinc/83/94/80/861839480.db2.gz IPNVWPLNERSYLY-CYBMUJFWSA-N -1 1 405.292 4.034 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc2)cc1 ZINC000031407596 847878504 /nfs/dbraw/zinc/87/85/04/847878504.db2.gz DQSOZPBELFADAJ-MRXNPFEDSA-N -1 1 418.559 4.393 20 0 HIADMM C[C@H](N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(C)(C)C ZINC000031408043 847878626 /nfs/dbraw/zinc/87/86/26/847878626.db2.gz VKDXUCKZSKOITP-HNNXBMFYSA-N -1 1 406.523 4.062 20 0 HIADMM O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1cc2ccccc2cc1[O-] ZINC000436536660 861841385 /nfs/dbraw/zinc/84/13/85/861841385.db2.gz DRDZPCMZNNILMI-UHFFFAOYSA-N -1 1 409.445 4.396 20 0 HIADMM Cc1noc2ncc(NC(=O)c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])cc12 ZINC000436538331 861841581 /nfs/dbraw/zinc/84/15/81/861841581.db2.gz VIVQAKGBTXBCQI-UHFFFAOYSA-N -1 1 424.363 4.020 20 0 HIADMM CCCOc1cccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(OC)cc2)c1 ZINC000031604091 847915403 /nfs/dbraw/zinc/91/54/03/847915403.db2.gz HDIWNFYTWACNMK-UHFFFAOYSA-N -1 1 412.515 4.434 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000031681365 847928292 /nfs/dbraw/zinc/92/82/92/847928292.db2.gz GAAKMEPQVCJCAP-OAHLLOKOSA-N -1 1 406.935 4.403 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000031681445 847928400 /nfs/dbraw/zinc/92/84/00/847928400.db2.gz DRCNFFQSUIRUEA-MRXNPFEDSA-N -1 1 404.507 4.197 20 0 HIADMM C#Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)c1 ZINC000032005427 847978511 /nfs/dbraw/zinc/97/85/11/847978511.db2.gz GSDZURMIRQKNSM-UHFFFAOYSA-N -1 1 404.491 4.338 20 0 HIADMM C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)c2)c1 ZINC000032005450 847978535 /nfs/dbraw/zinc/97/85/35/847978535.db2.gz DBZPIQGWRXEEDI-UHFFFAOYSA-N -1 1 420.490 4.120 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)CCO4)cc2)cc1C ZINC000032017937 847978856 /nfs/dbraw/zinc/97/88/56/847978856.db2.gz CYQITMCRNZBVQT-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3ccccc3cc2[O-])c(C)c1 ZINC000436569510 861855343 /nfs/dbraw/zinc/85/53/43/861855343.db2.gz FLFNKHSAEZLMGQ-HXUWFJFHSA-N -1 1 406.507 4.316 20 0 HIADMM CC[C@H](C)c1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436567048 861855355 /nfs/dbraw/zinc/85/53/55/861855355.db2.gz RPMGMPJDJCWAJD-MGPUTAFESA-N -1 1 418.497 4.092 20 0 HIADMM CC(C)(C)c1nc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)ccc2o1 ZINC000032097430 847986787 /nfs/dbraw/zinc/98/67/87/847986787.db2.gz ORKHBDQKZDZSGV-UHFFFAOYSA-N -1 1 408.863 4.278 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3[C@H](C)CCC[C@@H]3C)c([O-])c2)c1 ZINC000436561703 861852655 /nfs/dbraw/zinc/85/26/55/861852655.db2.gz IRTWTIPGAWACIT-GASCZTMLSA-N -1 1 412.486 4.065 20 0 HIADMM CN(C)C(=O)C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])c2ccc(Cl)cc21 ZINC000436564496 861853243 /nfs/dbraw/zinc/85/32/43/861853243.db2.gz PAJBLBLHESPPPN-MRXNPFEDSA-N -1 1 408.885 4.421 20 0 HIADMM Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1F ZINC000436565537 861853919 /nfs/dbraw/zinc/85/39/19/861853919.db2.gz RPXMXFZZVZBSPE-UHFFFAOYSA-N -1 1 420.484 4.162 20 0 HIADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436569623 861856088 /nfs/dbraw/zinc/85/60/88/861856088.db2.gz GWNPRFDRBREVNL-QWHCGFSZSA-N -1 1 417.303 4.278 20 0 HIADMM CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1cc2ccccc2cc1[O-] ZINC000436571431 861856173 /nfs/dbraw/zinc/85/61/73/861856173.db2.gz CSEULRYBGGGDJC-MRXNPFEDSA-N -1 1 419.399 4.076 20 0 HIADMM C[C@H]1OCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])[C@H]1C ZINC000436597086 861862970 /nfs/dbraw/zinc/86/29/70/861862970.db2.gz OZLIFJBMMWOLTO-NWDGAFQWSA-N -1 1 423.296 4.201 20 0 HIADMM CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436575904 861858000 /nfs/dbraw/zinc/85/80/00/861858000.db2.gz PCIAOXVJJYASAA-INIZCTEOSA-N -1 1 419.399 4.076 20 0 HIADMM Cc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000032499214 848040898 /nfs/dbraw/zinc/04/08/98/848040898.db2.gz VQKPLXCTNSBRNK-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2C(F)(F)F)cc1C ZINC000032589570 848051059 /nfs/dbraw/zinc/05/10/59/848051059.db2.gz PBYHDFUXPLHXCD-UHFFFAOYSA-N -1 1 416.421 4.172 20 0 HIADMM O=C(c1cc2sccc2s1)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436582577 861859852 /nfs/dbraw/zinc/85/98/52/861859852.db2.gz DVUFNMFYTXHLMR-UHFFFAOYSA-N -1 1 422.531 4.420 20 0 HIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cc(Cl)sc1Cl ZINC000032632559 848057518 /nfs/dbraw/zinc/05/75/18/848057518.db2.gz CLONKTMPDBXICP-UHFFFAOYSA-N -1 1 400.692 4.280 20 0 HIADMM CC(=O)Nc1ccc(C)c(NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)c1 ZINC000032690594 848064633 /nfs/dbraw/zinc/06/46/33/848064633.db2.gz OVFCNDLAPZTQKS-UHFFFAOYSA-N -1 1 409.515 4.212 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H](OCCCc2ccccc2)C1 ZINC000436588074 861861641 /nfs/dbraw/zinc/86/16/41/861861641.db2.gz RVYSJCIHMBXXQH-KRWDZBQOSA-N -1 1 404.304 4.019 20 0 HIADMM CCC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000032743858 848070858 /nfs/dbraw/zinc/07/08/58/848070858.db2.gz HWQSGLQGJVWETF-GFCCVEGCSA-N -1 1 405.292 4.325 20 0 HIADMM C=CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000032788505 848076126 /nfs/dbraw/zinc/07/61/26/848076126.db2.gz FKJCHMGZYPXOKN-UHFFFAOYSA-N -1 1 405.479 4.159 20 0 HIADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436603375 861865680 /nfs/dbraw/zinc/86/56/80/861865680.db2.gz AWQVWDFLSOSZRX-PKTZIBPZSA-N -1 1 414.505 4.262 20 0 HIADMM COc1c(C)ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000033049315 848103554 /nfs/dbraw/zinc/10/35/54/848103554.db2.gz KHZPQNRYOBNQSP-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM C[C@H]1CCC[C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000033181502 848121059 /nfs/dbraw/zinc/12/10/59/848121059.db2.gz VURMRDRUPCRJKO-DZGCQCFKSA-N -1 1 408.470 4.074 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)C3)cc2)ccc1F ZINC000033181650 848121105 /nfs/dbraw/zinc/12/11/05/848121105.db2.gz QYGIEWQCYSKHGN-RDTXWAMCSA-N -1 1 404.507 4.243 20 0 HIADMM O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436609296 861868392 /nfs/dbraw/zinc/86/83/92/861868392.db2.gz WKOZJSREOXDBRI-GOSISDBHSA-N -1 1 421.522 4.124 20 0 HIADMM Cc1ccsc1CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436608994 861868560 /nfs/dbraw/zinc/86/85/60/861868560.db2.gz VEHKLQJDHISMNT-IBGZPJMESA-N -1 1 408.523 4.179 20 0 HIADMM O=C(NCCSc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436610713 861869584 /nfs/dbraw/zinc/86/95/84/861869584.db2.gz XWWLORVMAVBKNR-NRFANRHFSA-N -1 1 420.534 4.059 20 0 HIADMM COc1cc(CN(C)C(=O)c2cc(Br)ccc2[O-])ccc1OC(F)F ZINC000035903442 848145539 /nfs/dbraw/zinc/14/55/39/848145539.db2.gz VCIMXDHRZXEVRA-UHFFFAOYSA-N -1 1 416.218 4.037 20 0 HIADMM CCOC(=O)CSc1nnc([N-]C(=O)c2sc3ccccc3c2Cl)s1 ZINC000036714321 848156731 /nfs/dbraw/zinc/15/67/31/848156731.db2.gz IGDMLRLDDXITNN-UHFFFAOYSA-N -1 1 413.933 4.314 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1cccc(NC(=S)Nc2ccccc2F)c1 ZINC000036845551 848168310 /nfs/dbraw/zinc/16/83/10/848168310.db2.gz RLRAOVDDVIHIQU-UHFFFAOYSA-N -1 1 401.488 4.435 20 0 HIADMM O=C(Nc1ccc2scnc2c1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436629000 861875108 /nfs/dbraw/zinc/87/51/08/861875108.db2.gz HMIJNKMIMIWYLG-IBGZPJMESA-N -1 1 417.490 4.398 20 0 HIADMM O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000436631585 861875967 /nfs/dbraw/zinc/87/59/67/861875967.db2.gz VPEUHCQVAGRACR-LJQANCHMSA-N -1 1 410.857 4.251 20 0 HIADMM CC(C)(C)OC(=O)N1CCN(Cc2ccccc2C(=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000039952725 848196579 /nfs/dbraw/zinc/19/65/79/848196579.db2.gz ZESWWMMLGDSDDI-HXUWFJFHSA-N -1 1 410.514 4.049 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(Oc2ccccc2Cl)CC1 ZINC000436645576 861880177 /nfs/dbraw/zinc/88/01/77/861880177.db2.gz BMWMUQSMPROKTM-UHFFFAOYSA-N -1 1 410.695 4.492 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000042092088 848284333 /nfs/dbraw/zinc/28/43/33/848284333.db2.gz WQYJDUVPPKHODO-HSZRJFAPSA-N -1 1 418.541 4.320 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CCCCN3C(=O)CC)n2)cc(Br)c1[O-] ZINC000436680544 861892844 /nfs/dbraw/zinc/89/28/44/861892844.db2.gz KIXDOXRISNQKGT-CYBMUJFWSA-N -1 1 424.295 4.067 20 0 HIADMM Cc1nc([C@@H](NC(=O)c2cc(Br)ccc2[O-])c2ccc(Cl)cc2)no1 ZINC000436694595 861896050 /nfs/dbraw/zinc/89/60/50/861896050.db2.gz BBHVSDWXKLNCQD-HNNXBMFYSA-N -1 1 422.666 4.019 20 0 HIADMM CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1[O-] ZINC000043079052 848381582 /nfs/dbraw/zinc/38/15/82/848381582.db2.gz MPSKNVBMDHUJAO-QPEQYQDCSA-N -1 1 417.259 4.108 20 0 HIADMM CCOc1cc(-c2noc(Cc3c[nH]c4ncccc34)n2)cc(Br)c1[O-] ZINC000436703898 861898143 /nfs/dbraw/zinc/89/81/43/861898143.db2.gz JVTZSOIWRSCTIE-UHFFFAOYSA-N -1 1 415.247 4.071 20 0 HIADMM CCOc1cc(-c2noc(C[C@H](C)c3cccnc3)n2)cc(Br)c1[O-] ZINC000436715934 861902800 /nfs/dbraw/zinc/90/28/00/861902800.db2.gz MVHDFIVNRVKPCO-NSHDSACASA-N -1 1 404.264 4.345 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000436717302 861904526 /nfs/dbraw/zinc/90/45/26/861904526.db2.gz BNYLATULCZTAEQ-CQSZACIVSA-N -1 1 406.280 4.173 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(C)cc3)c2)cc1 ZINC000043747269 848458372 /nfs/dbraw/zinc/45/83/72/848458372.db2.gz JDVIBNFOMKZMKX-QGZVFWFLSA-N -1 1 424.522 4.295 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)c1 ZINC000436723469 861908232 /nfs/dbraw/zinc/90/82/32/861908232.db2.gz LOPAUCJWJUKMRB-UHFFFAOYSA-N -1 1 414.458 4.358 20 0 HIADMM COc1ccccc1CC1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436723649 861912066 /nfs/dbraw/zinc/91/20/66/861912066.db2.gz LZYQPCKLDQWFFQ-UHFFFAOYSA-N -1 1 404.304 4.258 20 0 HIADMM Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000436735334 861919208 /nfs/dbraw/zinc/91/92/08/861919208.db2.gz DYGQNXKYRVSFLV-HNNXBMFYSA-N -1 1 403.404 4.318 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)[C@@H]3CCCc4ccccc43)n2)n[n-]c1=S ZINC000045074666 848630261 /nfs/dbraw/zinc/63/02/61/848630261.db2.gz CNJZDBTVNKTXBC-MRXNPFEDSA-N -1 1 411.556 4.233 20 0 HIADMM CC(=O)N(c1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1)[C@@H]1C[C@@H]1C ZINC000436742361 861924453 /nfs/dbraw/zinc/92/44/53/861924453.db2.gz VYXRQRBIOZASNY-APPDUMDISA-N -1 1 403.276 4.168 20 0 HIADMM CC[C@H](C)Cc1c(C)sc2nc(-c3cccc(N4C(=O)CCC4=O)c3)[n-]c(=O)c12 ZINC000045112161 848635183 /nfs/dbraw/zinc/63/51/83/848635183.db2.gz GWEZJSOHLAGRJP-LBPRGKRZSA-N -1 1 409.511 4.202 20 0 HIADMM CCc1c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cnn1-c1ccc(C)cc1 ZINC000045142583 848638129 /nfs/dbraw/zinc/63/81/29/848638129.db2.gz INKMKNGYMWADLZ-UHFFFAOYSA-N -1 1 417.509 4.184 20 0 HIADMM Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436743826 861928277 /nfs/dbraw/zinc/92/82/77/861928277.db2.gz YRFYJNAOMBTFLI-UHFFFAOYSA-N -1 1 406.507 4.295 20 0 HIADMM CCCCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1)C1CC1 ZINC000045370170 848672020 /nfs/dbraw/zinc/67/20/20/848672020.db2.gz IBFJDCBKZQXBAW-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM CC(C)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000045470587 848682559 /nfs/dbraw/zinc/68/25/59/848682559.db2.gz FHNJTFKEPGEPIS-UHFFFAOYSA-N -1 1 414.449 4.234 20 0 HIADMM Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)cc1 ZINC000436751279 861933481 /nfs/dbraw/zinc/93/34/81/861933481.db2.gz RIOZVRINIDEIMG-HNNXBMFYSA-N -1 1 401.894 4.028 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(cccc3F)s2)c1 ZINC000045622191 848703849 /nfs/dbraw/zinc/70/38/49/848703849.db2.gz UOUFJXCEFVQZFC-UHFFFAOYSA-N -1 1 422.503 4.029 20 0 HIADMM O=C(NC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1)Nc1cccc(F)c1 ZINC000436751858 861933611 /nfs/dbraw/zinc/93/36/11/861933611.db2.gz VQBSITOOKVOZGD-INIZCTEOSA-N -1 1 421.472 4.358 20 0 HIADMM O=C(NC[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1)Nc1cccc(F)c1 ZINC000436751859 861935398 /nfs/dbraw/zinc/93/53/98/861935398.db2.gz VQBSITOOKVOZGD-MRXNPFEDSA-N -1 1 421.472 4.358 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@H]1c1ccccc1 ZINC000045788050 848728570 /nfs/dbraw/zinc/72/85/70/848728570.db2.gz PAMZBAZGXPJXSF-NRFANRHFSA-N -1 1 410.470 4.214 20 0 HIADMM COc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])c(C(=O)N2CCCC2)cc1OC ZINC000436752705 861937078 /nfs/dbraw/zinc/93/70/78/861937078.db2.gz AMXIPPARIFWQGT-UHFFFAOYSA-N -1 1 412.486 4.021 20 0 HIADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])c1 ZINC000436758183 861944452 /nfs/dbraw/zinc/94/44/52/861944452.db2.gz MEFBSHJVVPROQX-MRXNPFEDSA-N -1 1 406.276 4.149 20 0 HIADMM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)cc1 ZINC000046358525 848831494 /nfs/dbraw/zinc/83/14/94/848831494.db2.gz BZZAGFMCVCWJRE-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1c(NC(=O)c2cc(F)ccc2[O-])cccc1C(=O)N1CCc2sccc2C1 ZINC000436758932 861947533 /nfs/dbraw/zinc/94/75/33/861947533.db2.gz ZVEOYUYQAFRWKZ-UHFFFAOYSA-N -1 1 410.470 4.352 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c(Br)c1 ZINC000046570463 848876325 /nfs/dbraw/zinc/87/63/25/848876325.db2.gz XEJHWTAINXRLRB-UHFFFAOYSA-N -1 1 424.238 4.499 20 0 HIADMM Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046592029 848882030 /nfs/dbraw/zinc/88/20/30/848882030.db2.gz MJAGPOCXBKISQZ-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC(F)(F)C2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436765427 861956812 /nfs/dbraw/zinc/95/68/12/861956812.db2.gz AZQPDFISKYIHFW-UHFFFAOYSA-N -1 1 415.223 4.433 20 0 HIADMM C[C@]1(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCCOC1 ZINC000436767251 861956844 /nfs/dbraw/zinc/95/68/44/861956844.db2.gz UIKANHBELZXRMP-FQEVSTJZSA-N -1 1 423.296 4.250 20 0 HIADMM CCOc1cc(-c2noc(C[C@@H](C)n3nc(C)cc3C)n2)cc(Br)c1[O-] ZINC000436767245 861956904 /nfs/dbraw/zinc/95/69/04/861956904.db2.gz GHFAJGGFLMXABS-GFCCVEGCSA-N -1 1 421.295 4.220 20 0 HIADMM CCC(=O)Nc1ccc(C)c(NC(=O)Cn2c(-c3ccc(C)cc3)n[n-]c2=S)c1 ZINC000046845852 848946383 /nfs/dbraw/zinc/94/63/83/848946383.db2.gz BTMHFXDREOREGA-UHFFFAOYSA-N -1 1 409.515 4.212 20 0 HIADMM CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c12 ZINC000047078140 848982542 /nfs/dbraw/zinc/98/25/42/848982542.db2.gz CBVNQHFSYICHQN-UHFFFAOYSA-N -1 1 408.384 4.078 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc2c(cccc2F)[nH]1 ZINC000047119715 848987234 /nfs/dbraw/zinc/98/72/34/848987234.db2.gz ZSBDUFOUNKVAJJ-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM C[C@@H](OCc1ccccc1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047120061 848988061 /nfs/dbraw/zinc/98/80/61/848988061.db2.gz HSZPCRIRJXQFPS-QGZVFWFLSA-N -1 1 410.495 4.031 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc4n[nH]cc43)n2)cc(Br)c1[O-] ZINC000436778533 861969177 /nfs/dbraw/zinc/96/91/77/861969177.db2.gz STBSGVANJMFKDU-UHFFFAOYSA-N -1 1 401.220 4.147 20 0 HIADMM O=C(/C=C/c1cccs1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000047339412 849029475 /nfs/dbraw/zinc/02/94/75/849029475.db2.gz UMRATDLZPPNIRU-FMIVXFBMSA-N -1 1 402.472 4.340 20 0 HIADMM C[C@H](CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436782574 861972417 /nfs/dbraw/zinc/97/24/17/861972417.db2.gz JBNPLCOYPIVIIY-WZONZLPQSA-N -1 1 416.521 4.412 20 0 HIADMM COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cn1 ZINC000436779988 861973179 /nfs/dbraw/zinc/97/31/79/861973179.db2.gz BKAAWUWGKDABRN-UHFFFAOYSA-N -1 1 407.426 4.107 20 0 HIADMM O=C(NCc1ccc(OCc2ccccn2)cc1)c1cc(Br)ccc1[O-] ZINC000436786054 861979558 /nfs/dbraw/zinc/97/95/58/861979558.db2.gz RGPJIVKCJRCXMF-UHFFFAOYSA-N -1 1 413.271 4.059 20 0 HIADMM C[C@H](C1CC1)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000047907192 849134905 /nfs/dbraw/zinc/13/49/05/849134905.db2.gz ZDKJHQHFVDYOJX-CQSZACIVSA-N -1 1 402.491 4.030 20 0 HIADMM CN(CC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000047920420 849138560 /nfs/dbraw/zinc/13/85/60/849138560.db2.gz DVPKVONBYGTFNL-UHFFFAOYSA-N -1 1 413.326 4.276 20 0 HIADMM O=C(NCCCc1cccc(F)c1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436790306 861984734 /nfs/dbraw/zinc/98/47/34/861984734.db2.gz GQVVIHACHUHECE-QFIPXVFZSA-N -1 1 420.484 4.038 20 0 HIADMM C[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1nc(-c2ccncc2)cs1 ZINC000436792733 861986161 /nfs/dbraw/zinc/98/61/61/861986161.db2.gz PKEAOURZCBQECJ-SNVBAGLBSA-N -1 1 404.289 4.164 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000436795290 861989415 /nfs/dbraw/zinc/98/94/15/861989415.db2.gz FAFJUDLNVCUCGL-SFHVURJKSA-N -1 1 405.281 4.287 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccc(F)c(C)c3)c([O-])c2)c1 ZINC000436804623 861994281 /nfs/dbraw/zinc/99/42/81/861994281.db2.gz BRAJHFXZTGKXKK-UHFFFAOYSA-N -1 1 424.428 4.362 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436815446 861998455 /nfs/dbraw/zinc/99/84/55/861998455.db2.gz OMNXEOWKVIFWQA-MRXNPFEDSA-N -1 1 408.470 4.136 20 0 HIADMM CCCC[C@@H](C)N(C)C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436820123 862002435 /nfs/dbraw/zinc/00/24/35/862002435.db2.gz KULMSUOVYVDZOL-OAHLLOKOSA-N -1 1 414.502 4.312 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC=C(F)C2)c([O-])c1)c1cccc(Br)c1 ZINC000436819453 862003993 /nfs/dbraw/zinc/00/39/93/862003993.db2.gz NRKQLSJMFCCHLB-UHFFFAOYSA-N -1 1 419.250 4.106 20 0 HIADMM O=C(NCC[C@@H]1CCOC1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436836305 862014963 /nfs/dbraw/zinc/01/49/63/862014963.db2.gz HHOQNUCEUKOFRO-GFCCVEGCSA-N -1 1 423.296 4.108 20 0 HIADMM CS[C@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436836014 862015607 /nfs/dbraw/zinc/01/56/07/862015607.db2.gz CJEUYGYSANIOSI-RDJZCZTQSA-N -1 1 420.481 4.327 20 0 HIADMM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c12 ZINC000051266055 849448875 /nfs/dbraw/zinc/44/88/75/849448875.db2.gz VHTBWAUTRQMMHQ-UHFFFAOYSA-N -1 1 409.416 4.007 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C(C2CC2)C2CC2)cc1 ZINC000051441544 849471488 /nfs/dbraw/zinc/47/14/88/849471488.db2.gz RKYMMXCOPSEVRD-UHFFFAOYSA-N -1 1 400.548 4.043 20 0 HIADMM O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc([O-])cc1F ZINC000436866645 862044181 /nfs/dbraw/zinc/04/41/81/862044181.db2.gz YLATVVPXLPNSKF-UHFFFAOYSA-N -1 1 401.441 4.373 20 0 HIADMM COc1cc(-c2noc(-c3csc(C(F)(F)F)n3)n2)cc(Br)c1[O-] ZINC000436877004 862054300 /nfs/dbraw/zinc/05/43/00/862054300.db2.gz CQNUFZBGFPNHKX-UHFFFAOYSA-N -1 1 422.182 4.356 20 0 HIADMM COc1cc(-c2noc(C(=O)c3ccc(Cl)s3)n2)cc(Br)c1[O-] ZINC000436876856 862054434 /nfs/dbraw/zinc/05/44/34/862054434.db2.gz BRYBBGBEEMUBBF-UHFFFAOYSA-N -1 1 415.652 4.159 20 0 HIADMM COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436876696 862054518 /nfs/dbraw/zinc/05/45/18/862054518.db2.gz ATDHGAJNXBXOPX-OAHLLOKOSA-N -1 1 417.824 4.221 20 0 HIADMM O=C(NCc1noc(-c2ccc3ccccc3c2[O-])n1)c1ccc(Br)cc1 ZINC000436878028 862055312 /nfs/dbraw/zinc/05/53/12/862055312.db2.gz BDADTCYOEAKRLI-UHFFFAOYSA-N -1 1 424.254 4.288 20 0 HIADMM COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436877334 862055491 /nfs/dbraw/zinc/05/54/91/862055491.db2.gz GEBVGUOCQVJIAA-XOBRGWDASA-N -1 1 422.416 4.021 20 0 HIADMM CCCOc1ccc(CNC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000053948967 849780447 /nfs/dbraw/zinc/78/04/47/849780447.db2.gz FWHLYWKVMIEELI-UHFFFAOYSA-N -1 1 410.543 4.411 20 0 HIADMM CCN(CC)c1nc2sc(C(=O)[N-]c3ncn(Cc4ccccc4)n3)cc2s1 ZINC000054114236 849811560 /nfs/dbraw/zinc/81/15/60/849811560.db2.gz DMUTZMRAUYILIJ-UHFFFAOYSA-N -1 1 412.544 4.096 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c1 ZINC000436891079 862067891 /nfs/dbraw/zinc/06/78/91/862067891.db2.gz HIHMBTCVEDNBCQ-UHFFFAOYSA-N -1 1 402.410 4.042 20 0 HIADMM CCCCCN(Cc1ccc(F)cc1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000054671882 849903088 /nfs/dbraw/zinc/90/30/88/849903088.db2.gz LZBXVJCSSDUQOL-UHFFFAOYSA-N -1 1 405.539 4.091 20 0 HIADMM CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000436896252 862071146 /nfs/dbraw/zinc/07/11/46/862071146.db2.gz XVZVBYUIQLTTKB-UHFFFAOYSA-N -1 1 416.275 4.300 20 0 HIADMM N#Cc1ccccc1N1C(=O)/C(=C/c2ccc([O-])c(Br)c2)SC1=S ZINC000055190777 849984661 /nfs/dbraw/zinc/98/46/61/849984661.db2.gz ZYKWXJMRYQDLDW-NVNXTCNLSA-N -1 1 417.309 4.432 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1ccc(CCCl)cc1 ZINC000055632177 850083244 /nfs/dbraw/zinc/08/32/44/850083244.db2.gz UBQQMWQVPHCKBA-UHFFFAOYSA-N -1 1 402.903 4.243 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000055632172 850083738 /nfs/dbraw/zinc/08/37/38/850083738.db2.gz OKBOPFHAPAXZDK-UHFFFAOYSA-N -1 1 419.396 4.107 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1F ZINC000055652326 850097982 /nfs/dbraw/zinc/09/79/82/850097982.db2.gz SKKMQXUFRWXDJM-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1sc(-c2ccco2)nc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916234 862096476 /nfs/dbraw/zinc/09/64/76/862096476.db2.gz VFWYRTZEVLRFQD-UHFFFAOYSA-N -1 1 401.835 4.108 20 0 HIADMM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000436926222 862105933 /nfs/dbraw/zinc/10/59/33/862105933.db2.gz LCMKCBYVUJNZAS-INIZCTEOSA-N -1 1 400.276 4.019 20 0 HIADMM C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931762 850518542 /nfs/dbraw/zinc/51/85/42/850518542.db2.gz VZIIBIMHOSPFPB-OAHLLOKOSA-N -1 1 414.458 4.033 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1Cl ZINC000057121159 850551503 /nfs/dbraw/zinc/55/15/03/850551503.db2.gz KOTFQWKIVJOPMM-UHFFFAOYSA-N -1 1 405.278 4.073 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)OC)cc2)c2ccccc12 ZINC000057125366 850554816 /nfs/dbraw/zinc/55/48/16/850554816.db2.gz XHRMUKUGVBSLNT-UHFFFAOYSA-N -1 1 414.483 4.242 20 0 HIADMM CCc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436969996 862149039 /nfs/dbraw/zinc/14/90/39/862149039.db2.gz BYLSVMPEOFEYGZ-QFIPXVFZSA-N -1 1 402.494 4.029 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1 ZINC000436972891 862150648 /nfs/dbraw/zinc/15/06/48/862150648.db2.gz VXHAYEHHCDUGMZ-UHFFFAOYSA-N -1 1 419.441 4.124 20 0 HIADMM COc1ccc(CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H](CO)C(C)C)cc1 ZINC000436978288 862155912 /nfs/dbraw/zinc/15/59/12/862155912.db2.gz GQCVZJBIQFJIKB-GOSISDBHSA-N -1 1 411.420 4.079 20 0 HIADMM CC[C@@H](C)n1ncc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1C1CC1 ZINC000436978252 862156836 /nfs/dbraw/zinc/15/68/36/862156836.db2.gz UYNOHYISEPDUCI-GFCCVEGCSA-N -1 1 423.473 4.238 20 0 HIADMM CC[C@H](C)n1ncc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1C1CC1 ZINC000436978255 862157076 /nfs/dbraw/zinc/15/70/76/862157076.db2.gz UYNOHYISEPDUCI-LBPRGKRZSA-N -1 1 423.473 4.238 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CCCc3c(O)cccc32)cc1[O-] ZINC000436981625 862159940 /nfs/dbraw/zinc/15/99/40/862159940.db2.gz RGWIHHQJRFAOAJ-IBGZPJMESA-N -1 1 408.498 4.219 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000057912475 850742775 /nfs/dbraw/zinc/74/27/75/850742775.db2.gz IHKBYYUSQWGHKU-DYVFJYSZSA-N -1 1 409.511 4.229 20 0 HIADMM O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000058058936 850759532 /nfs/dbraw/zinc/75/95/32/850759532.db2.gz PJRUYMBARVERDF-FMIVXFBMSA-N -1 1 402.859 4.386 20 0 HIADMM CCOc1ccccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058150001 850773060 /nfs/dbraw/zinc/77/30/60/850773060.db2.gz NQQKRHXBIJPCKN-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000058206403 850780711 /nfs/dbraw/zinc/78/07/11/850780711.db2.gz PZDHTBIWQSXJAV-KRWDZBQOSA-N -1 1 423.627 4.258 20 0 HIADMM CS(=O)(=O)Nc1ccc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)cc1 ZINC000436994714 862170055 /nfs/dbraw/zinc/17/00/55/862170055.db2.gz FFYJWGCLBUFWNP-UHFFFAOYSA-N -1 1 423.450 4.273 20 0 HIADMM O=C(Nc1cnns1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436995807 862170218 /nfs/dbraw/zinc/17/02/18/862170218.db2.gz IZOCPNPDZIFENO-UHFFFAOYSA-N -1 1 409.254 4.055 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC)C3CCCC3)c2)cc1 ZINC000058365862 850809832 /nfs/dbraw/zinc/80/98/32/850809832.db2.gz LKJDCVAGYYIRHP-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM CCOc1cc(F)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000058448049 850827833 /nfs/dbraw/zinc/82/78/33/850827833.db2.gz JBYANBDJQKHAKI-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1noc(C)c1COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000058817398 850936728 /nfs/dbraw/zinc/93/67/28/850936728.db2.gz KAQAZCRZVIHVCT-UHFFFAOYSA-N -1 1 414.483 4.066 20 0 HIADMM CCC(CC)[C@H](CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)OC ZINC000437017266 862197707 /nfs/dbraw/zinc/19/77/07/862197707.db2.gz PVXJKSXVWWHZQN-NRFANRHFSA-N -1 1 418.559 4.059 20 0 HIADMM Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1C ZINC000060401258 851088314 /nfs/dbraw/zinc/08/83/14/851088314.db2.gz JADPDUPFJMETFF-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(F)c1 ZINC000060412007 851090669 /nfs/dbraw/zinc/09/06/69/851090669.db2.gz LQCLBMCEGCZGNO-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COc1ccc(C)cc1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060412014 851090772 /nfs/dbraw/zinc/09/07/72/851090772.db2.gz GRTADVNXCPVYMS-UHFFFAOYSA-N -1 1 424.522 4.294 20 0 HIADMM Cc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412153 851091030 /nfs/dbraw/zinc/09/10/30/851091030.db2.gz QWLBMUUSLVDDQF-UHFFFAOYSA-N -1 1 423.450 4.296 20 0 HIADMM Cc1ccc(NC(=O)CCc2cccs2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000060414595 851091872 /nfs/dbraw/zinc/09/18/72/851091872.db2.gz KXXCSDDKDIMDPS-UHFFFAOYSA-N -1 1 400.525 4.429 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCc3ccc(F)cc32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000060472610 851111148 /nfs/dbraw/zinc/11/11/48/851111148.db2.gz MJNNXZPWPSNBTQ-UHFFFAOYSA-N -1 1 412.367 4.265 20 0 HIADMM O=C(Nc1ccc2ncccc2c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000060788462 851213276 /nfs/dbraw/zinc/21/32/76/851213276.db2.gz HETCEXMCMJXIQN-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000063108278 851617451 /nfs/dbraw/zinc/61/74/51/851617451.db2.gz HRLHTELPKMFBJJ-RBUKOAKNSA-N -1 1 408.527 4.069 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000063444572 851691349 /nfs/dbraw/zinc/69/13/49/851691349.db2.gz RZOONZXLYBJYSK-UHFFFAOYSA-N -1 1 410.495 4.198 20 0 HIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)ccc21 ZINC000063476116 851699826 /nfs/dbraw/zinc/69/98/26/851699826.db2.gz GFJBCIGTCNBYAN-UHFFFAOYSA-N -1 1 411.527 4.151 20 0 HIADMM CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCS1 ZINC000437080116 862275028 /nfs/dbraw/zinc/27/50/28/862275028.db2.gz VHTHYOXZNGMPEB-KRWDZBQOSA-N -1 1 424.975 4.108 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000064317650 851870561 /nfs/dbraw/zinc/87/05/61/851870561.db2.gz BSZWEMZDCWXATM-UHFFFAOYSA-N -1 1 414.358 4.091 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)cc1 ZINC000064475372 851906949 /nfs/dbraw/zinc/90/69/49/851906949.db2.gz KWHHCFUBWAFVKH-UHFFFAOYSA-N -1 1 417.512 4.124 20 0 HIADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937689 852025335 /nfs/dbraw/zinc/02/53/35/852025335.db2.gz AUTIZTWZZUOTLJ-UHFFFAOYSA-N -1 1 405.419 4.194 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064937722 852026147 /nfs/dbraw/zinc/02/61/47/852026147.db2.gz RUGBWHHQJGRBAE-UHFFFAOYSA-N -1 1 416.446 4.226 20 0 HIADMM CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)ccc1Cl ZINC000064937997 852026626 /nfs/dbraw/zinc/02/66/26/852026626.db2.gz BQRPKQRMRZPMEJ-UHFFFAOYSA-N -1 1 424.853 4.112 20 0 HIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000065079007 852055964 /nfs/dbraw/zinc/05/59/64/852055964.db2.gz TYVSWTINSSIHOA-UHFFFAOYSA-N -1 1 415.342 4.488 20 0 HIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000065078995 852056636 /nfs/dbraw/zinc/05/66/36/852056636.db2.gz ANOOCKGTHAVHNN-UHFFFAOYSA-N -1 1 415.342 4.488 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccncc2)cc1)c1cccc(Br)c1 ZINC000065079923 852057233 /nfs/dbraw/zinc/05/72/33/852057233.db2.gz XVOAUWODLFZFFO-UHFFFAOYSA-N -1 1 405.273 4.437 20 0 HIADMM CC1CCC(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000065691106 852220477 /nfs/dbraw/zinc/22/04/77/852220477.db2.gz BSFZOAUAIBZFBT-UHFFFAOYSA-N -1 1 404.507 4.183 20 0 HIADMM CCCN1CCN(c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2Cl)CC1 ZINC000065723291 852235173 /nfs/dbraw/zinc/23/51/73/852235173.db2.gz TUCXDVURMVYRMV-UHFFFAOYSA-N -1 1 408.329 4.483 20 0 HIADMM CC[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CCS1 ZINC000437144521 862336049 /nfs/dbraw/zinc/33/60/49/862336049.db2.gz JBTJVVHFXJBZEZ-LJQANCHMSA-N -1 1 418.584 4.072 20 0 HIADMM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000065832882 852274733 /nfs/dbraw/zinc/27/47/33/852274733.db2.gz NDRWMSYOTXNRBB-UHFFFAOYSA-N -1 1 417.449 4.448 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000065843720 852282094 /nfs/dbraw/zinc/28/20/94/852282094.db2.gz HYHXXUXUNBADOK-UHFFFAOYSA-N -1 1 401.488 4.139 20 0 HIADMM CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000066004876 852353007 /nfs/dbraw/zinc/35/30/07/852353007.db2.gz FAGNDPYSBRRBSF-KRWDZBQOSA-N -1 1 421.522 4.071 20 0 HIADMM O=S(=O)([N-]Cc1cc(Br)cs1)c1cc(Cl)sc1Cl ZINC000070213296 852404422 /nfs/dbraw/zinc/40/44/22/852404422.db2.gz UOLDCNVVNNNTEB-UHFFFAOYSA-N -1 1 407.163 4.357 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)c3ccncc3)c2)c1 ZINC000071939455 852438776 /nfs/dbraw/zinc/43/87/76/852438776.db2.gz FLCCPVXOYKELRI-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1ccc(Br)cc1 ZINC000072034546 852478272 /nfs/dbraw/zinc/47/82/72/852478272.db2.gz WXVDSDUHXZHWTH-UHFFFAOYSA-N -1 1 409.227 4.224 20 0 HIADMM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1cccc(Br)c1 ZINC000072034552 852478377 /nfs/dbraw/zinc/47/83/77/852478377.db2.gz VHUVLUQZRUHORB-UHFFFAOYSA-N -1 1 409.227 4.224 20 0 HIADMM CC(C)=C[C@H]1[C@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1(C)C ZINC000072081933 852500014 /nfs/dbraw/zinc/50/00/14/852500014.db2.gz BLQGUJSIEPVBBI-PZJWPPBQSA-N -1 1 412.555 4.342 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(F)ccc2F)cc1 ZINC000078512408 852517673 /nfs/dbraw/zinc/51/76/73/852517673.db2.gz RXZMISHEXNMBAG-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(Cc2ccccc2)C(C)C)cc1 ZINC000097042977 852577379 /nfs/dbraw/zinc/57/73/79/852577379.db2.gz HFDARBONYJOQCD-UHFFFAOYSA-N -1 1 410.543 4.444 20 0 HIADMM O=C(CSc1nc2ccccc2s1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000097052550 852578510 /nfs/dbraw/zinc/57/85/10/852578510.db2.gz FHFJKVKRRNPUNS-UHFFFAOYSA-N -1 1 412.536 4.216 20 0 HIADMM Cc1c(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)cnn1-c1ccccc1 ZINC000097555067 852631551 /nfs/dbraw/zinc/63/15/51/852631551.db2.gz DJWNPCSEXPHUGT-UHFFFAOYSA-N -1 1 410.547 4.036 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1Br ZINC000105810166 852730793 /nfs/dbraw/zinc/73/07/93/852730793.db2.gz UWFWDKYHDLSHLH-UHFFFAOYSA-N -1 1 407.289 4.049 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1Cl ZINC000107391383 852771846 /nfs/dbraw/zinc/77/18/46/852771846.db2.gz ONFJXPJPVCKXOZ-UHFFFAOYSA-N -1 1 401.797 4.345 20 0 HIADMM CCOc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000108221789 852830145 /nfs/dbraw/zinc/83/01/45/852830145.db2.gz LKQMLYQIJRIHBQ-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM CCCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c(C)c1 ZINC000108661944 852869643 /nfs/dbraw/zinc/86/96/43/852869643.db2.gz COZPWBZVBIXJQV-UHFFFAOYSA-N -1 1 408.520 4.096 20 0 HIADMM CCOc1ccc(C2(CNC(=O)c3cc4ccccc4cc3[O-])CCOCC2)cc1 ZINC000108952010 852897346 /nfs/dbraw/zinc/89/73/46/852897346.db2.gz SAYZXZJSBFXMRJ-UHFFFAOYSA-N -1 1 405.494 4.422 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1cc(Br)ccc1F ZINC000109818485 853018433 /nfs/dbraw/zinc/01/84/33/853018433.db2.gz LNBLJLVYFDUEEZ-SFHVURJKSA-N -1 1 421.291 4.051 20 0 HIADMM O=C(Nc1ccncc1)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000110023605 853049099 /nfs/dbraw/zinc/04/90/99/853049099.db2.gz KSXNQUWFMXNKKQ-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM COc1ccc([C@@H]2CCN(C(=O)CCn3c(=S)[n-]nc3-c3cccs3)C2)cc1 ZINC000110074172 853056767 /nfs/dbraw/zinc/05/67/67/853056767.db2.gz UBDWPILWBGUTDT-OAHLLOKOSA-N -1 1 414.556 4.084 20 0 HIADMM Cc1ccc(N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000110197793 853071216 /nfs/dbraw/zinc/07/12/16/853071216.db2.gz PNRRYKJNBVYCMA-UHFFFAOYSA-N -1 1 416.449 4.351 20 0 HIADMM Cc1csc(CCCCNC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)n1 ZINC000110618701 853127422 /nfs/dbraw/zinc/12/74/22/853127422.db2.gz IZVALNXAUCYZOK-UHFFFAOYSA-N -1 1 415.588 4.210 20 0 HIADMM CCN1CCc2ccc(NC(=O)CCn3c(=S)[n-]nc3-c3ccc(C)cc3)cc21 ZINC000110828222 853155004 /nfs/dbraw/zinc/15/50/04/853155004.db2.gz PYZYOWGRWRAKAZ-UHFFFAOYSA-N -1 1 407.543 4.327 20 0 HIADMM CCNC(=O)c1ccc(C)c(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c1 ZINC000111084275 853198853 /nfs/dbraw/zinc/19/88/53/853198853.db2.gz MTBNYGVVIZYLMT-UHFFFAOYSA-N -1 1 423.542 4.003 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(Cc3ccccn3)C(C)C)c2)cc1 ZINC000115657171 853257535 /nfs/dbraw/zinc/25/75/35/853257535.db2.gz UZRYTEBIHOANGY-UHFFFAOYSA-N -1 1 423.538 4.242 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C(C)C)[nH]n3)cc2)ccc1F ZINC000115875831 853269026 /nfs/dbraw/zinc/26/90/26/853269026.db2.gz LEPWLMHGFBNMBR-UHFFFAOYSA-N -1 1 416.478 4.034 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1 ZINC000116716759 853328101 /nfs/dbraw/zinc/32/81/01/853328101.db2.gz HWOOSAGWSQQZIJ-UHFFFAOYSA-N -1 1 404.401 4.285 20 0 HIADMM CCc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)s1 ZINC000117092875 853343937 /nfs/dbraw/zinc/34/39/37/853343937.db2.gz KLGXMVQLKIEGQA-UHFFFAOYSA-N -1 1 418.515 4.180 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000117729314 853366823 /nfs/dbraw/zinc/36/68/23/853366823.db2.gz DQOMUNQFPOOTTG-HXUWFJFHSA-N -1 1 422.504 4.116 20 0 HIADMM Cc1c2cccc(C)c2oc1C(=O)[N-]NC(=S)Nc1cccc(Br)c1 ZINC000138978919 853401393 /nfs/dbraw/zinc/40/13/93/853401393.db2.gz PHNJQSPWNOLTCI-UHFFFAOYSA-N -1 1 418.316 4.444 20 0 HIADMM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(COc3ccc(C)cc3C)o2)c1 ZINC000149755298 853630156 /nfs/dbraw/zinc/63/01/56/853630156.db2.gz QYZGCABFRXGYQF-FQEVSTJZSA-N -1 1 418.449 4.445 20 0 HIADMM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000195531837 853669389 /nfs/dbraw/zinc/66/93/89/853669389.db2.gz BBGVSQDKMWVLBF-HNNXBMFYSA-N -1 1 416.474 4.361 20 0 HIADMM O=C1C(=Cc2ccc([O-])c(Br)c2)NC(=S)N1Cc1ccccc1Cl ZINC000208921779 853808730 /nfs/dbraw/zinc/80/87/30/853808730.db2.gz RLYFCELMRSIMLR-RIYZIHGNSA-N -1 1 423.719 4.066 20 0 HIADMM CC(C)(C)c1ccc(-c2nnc(SCc3cc(=O)oc4cc([O-])ccc34)n2N)cc1 ZINC000216237390 853847740 /nfs/dbraw/zinc/84/77/40/853847740.db2.gz RGJIYBJARJORHS-UHFFFAOYSA-N -1 1 422.510 4.061 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccnn3[C@@H](C)C3CC3)cc2)cc1 ZINC000248007751 854172763 /nfs/dbraw/zinc/17/27/63/854172763.db2.gz WGECBLFAKKLBEV-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261379471 854240102 /nfs/dbraw/zinc/24/01/02/854240102.db2.gz WCXJPVPUFPSMMC-XUZZJYLKSA-N -1 1 422.525 4.164 20 0 HIADMM C[C@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc2ccccc2c1 ZINC000261384194 854242115 /nfs/dbraw/zinc/24/21/15/854242115.db2.gz AKWFGXTWWBCTNC-NSHDSACASA-N -1 1 407.417 4.324 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cnn(-c2ccccc2Cl)c1 ZINC000261437659 854262496 /nfs/dbraw/zinc/26/24/96/854262496.db2.gz HMENRDNRCOWSOA-UHFFFAOYSA-N -1 1 416.919 4.147 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F ZINC000261479978 854276635 /nfs/dbraw/zinc/27/66/35/854276635.db2.gz UELVCWAOPMXQMX-UHFFFAOYSA-N -1 1 403.262 4.060 20 0 HIADMM O=c1[n-]c(Sc2nnc(-c3cccc(Cl)c3)o2)nc2c1cnn2-c1ccccc1 ZINC000301325399 854359746 /nfs/dbraw/zinc/35/97/46/854359746.db2.gz AMJZDINNXLAWKW-UHFFFAOYSA-N -1 1 422.857 4.376 20 0 HIADMM Cc1nc(-c2ccc(NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)nc2)[n-]c(=O)c1C ZINC000301358674 854370193 /nfs/dbraw/zinc/37/01/93/854370193.db2.gz LGYUMBXJXPEMNJ-HNNXBMFYSA-N -1 1 411.456 4.078 20 0 HIADMM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cs1 ZINC000437300253 862557713 /nfs/dbraw/zinc/55/77/13/862557713.db2.gz BJVVFNYGSXONAF-SSDOTTSWSA-N -1 1 415.751 4.289 20 0 HIADMM Cc1nc(-c2ccc(N(C)Cc3ccc(OC(F)(F)F)cc3)nc2)[n-]c(=O)c1C ZINC000301364577 854371923 /nfs/dbraw/zinc/37/19/23/854371923.db2.gz NEDKAHMFDMWICT-UHFFFAOYSA-N -1 1 404.392 4.396 20 0 HIADMM COc1ccc(C(C)(C)CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1OC ZINC000301410426 854386091 /nfs/dbraw/zinc/38/60/91/854386091.db2.gz XVDIBQACSPMETQ-UHFFFAOYSA-N -1 1 408.502 4.268 20 0 HIADMM Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000301410131 854386351 /nfs/dbraw/zinc/38/63/51/854386351.db2.gz XOQYAZXGSKZFTO-LJQANCHMSA-N -1 1 407.493 4.389 20 0 HIADMM CC(C)c1noc([N-][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)n1 ZINC000301474423 854403663 /nfs/dbraw/zinc/40/36/63/854403663.db2.gz ROVRKZMHYTZPDJ-KRWDZBQOSA-N -1 1 407.442 4.076 20 0 HIADMM Cc1nc(-c2ccc(NCCNc3cccc(Br)c3)nc2)[n-]c(=O)c1C ZINC000302065947 854525280 /nfs/dbraw/zinc/52/52/80/854525280.db2.gz SOUDFBUWNWHWRG-UHFFFAOYSA-N -1 1 414.307 4.148 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000302773968 854630851 /nfs/dbraw/zinc/63/08/51/854630851.db2.gz UQIFBKMBMSQJBY-OAQYLSRUSA-N -1 1 415.522 4.217 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCCCCOc1ccc(F)cc1 ZINC000302893291 854669254 /nfs/dbraw/zinc/66/92/54/854669254.db2.gz XSPWBISAULFRCG-UHFFFAOYSA-N -1 1 420.535 4.174 20 0 HIADMM Cc1ccc(Sc2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2)c(C)c1 ZINC000302936478 854686708 /nfs/dbraw/zinc/68/67/08/854686708.db2.gz GMECBFIIILYLFX-UHFFFAOYSA-N -1 1 412.536 4.354 20 0 HIADMM CC(C)(C)c1nnc([N-]C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)s1 ZINC000302973858 854704410 /nfs/dbraw/zinc/70/44/10/854704410.db2.gz BTOQJTMOBIQUBY-UHFFFAOYSA-N -1 1 402.911 4.199 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000303087946 854755096 /nfs/dbraw/zinc/75/50/96/854755096.db2.gz HFBMMPPWTWHKNI-UHFFFAOYSA-N -1 1 410.528 4.452 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)nc2)c1C ZINC000437330216 862600878 /nfs/dbraw/zinc/60/08/78/862600878.db2.gz XFEYKWJMELINQL-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1sccc1Br ZINC000437332407 862603084 /nfs/dbraw/zinc/60/30/84/862603084.db2.gz MRSRLJWCNNIHTF-DTWKUNHWSA-N -1 1 406.289 4.158 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c1C ZINC000303413157 854915877 /nfs/dbraw/zinc/91/58/77/854915877.db2.gz VMPJEULVVYNUEH-UHFFFAOYSA-N -1 1 402.472 4.021 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000303565469 855042961 /nfs/dbraw/zinc/04/29/61/855042961.db2.gz LYSXQOFCYNWLNV-QHCPKHFHSA-N -1 1 410.539 4.450 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc1 ZINC000303643829 855099715 /nfs/dbraw/zinc/09/97/15/855099715.db2.gz VZPQUHAPLAUJMU-HSZRJFAPSA-N -1 1 406.555 4.496 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)cc21 ZINC000303657223 855110568 /nfs/dbraw/zinc/11/05/68/855110568.db2.gz AGLFKHWCWWEXHI-UHFFFAOYSA-N -1 1 412.483 4.101 20 0 HIADMM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000303730365 855156526 /nfs/dbraw/zinc/15/65/26/855156526.db2.gz URZCJCQPFLRZKY-AREMUKBSSA-N -1 1 402.541 4.083 20 0 HIADMM CSCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000303749140 855171050 /nfs/dbraw/zinc/17/10/50/855171050.db2.gz HGHQJULKGSQWPI-KRWDZBQOSA-N -1 1 420.600 4.318 20 0 HIADMM COc1ccc([C@@H](C)CCNC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000303821447 855223010 /nfs/dbraw/zinc/22/30/10/855223010.db2.gz ABVYKRSZRBYOOH-INIZCTEOSA-N -1 1 410.543 4.235 20 0 HIADMM CC[C@H](NC(=O)Cn1c(-c2ccc(OC)cc2)n[n-]c1=S)c1ccc(F)cc1F ZINC000303841965 855239122 /nfs/dbraw/zinc/23/91/22/855239122.db2.gz STWCFGINNIXPNP-KRWDZBQOSA-N -1 1 418.469 4.162 20 0 HIADMM CCCN(C(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000303928931 855298377 /nfs/dbraw/zinc/29/83/77/855298377.db2.gz WVBMJXLMPLLQOX-QZTJIDSGSA-N -1 1 416.591 4.358 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NC1(c2cccc(F)c2)CC1 ZINC000303931114 855299258 /nfs/dbraw/zinc/29/92/58/855299258.db2.gz ZYVKDPSEMQBZFS-UHFFFAOYSA-N -1 1 402.882 4.206 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000314802032 855376816 /nfs/dbraw/zinc/37/68/16/855376816.db2.gz WPFRQGNTVCZALL-UHFFFAOYSA-N -1 1 405.657 4.120 20 0 HIADMM CC(C)CC1(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCCC1 ZINC000316810504 855380860 /nfs/dbraw/zinc/38/08/60/855380860.db2.gz XCVHXXAXMDGAQX-UHFFFAOYSA-N -1 1 409.777 4.382 20 0 HIADMM Cc1cc(C)c([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c(Br)c1 ZINC000322880616 855393325 /nfs/dbraw/zinc/39/33/25/855393325.db2.gz BGAALZJBAAOLAO-UHFFFAOYSA-N -1 1 414.712 4.168 20 0 HIADMM [O-]c1cc(-c2nc(-c3ccc4ccccc4n3)no2)ccc1I ZINC000322936887 855393812 /nfs/dbraw/zinc/39/38/12/855393812.db2.gz ACIKHAKFXAVYJU-UHFFFAOYSA-N -1 1 415.190 4.262 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1ccc(Cl)c(Br)c1 ZINC000323901666 855397136 /nfs/dbraw/zinc/39/71/36/855397136.db2.gz WXYUWNJSXPDFRE-UHFFFAOYSA-N -1 1 418.696 4.065 20 0 HIADMM O=S(=O)([N-]c1ccc(N2CCCCCC2)cc1)c1cncc(Br)c1 ZINC000324617247 855399852 /nfs/dbraw/zinc/39/98/52/855399852.db2.gz QECFSZGRVNHDDR-UHFFFAOYSA-N -1 1 410.337 4.025 20 0 HIADMM CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000324909204 855400452 /nfs/dbraw/zinc/40/04/52/855400452.db2.gz FOBPLMVQGPRMIO-QWHCGFSZSA-N -1 1 419.341 4.241 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000325410288 855403466 /nfs/dbraw/zinc/40/34/66/855403466.db2.gz KEOLJZLLYDCICT-GFCCVEGCSA-N -1 1 416.754 4.291 20 0 HIADMM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000326178441 855407353 /nfs/dbraw/zinc/40/73/53/855407353.db2.gz LNZWYFZPSJMUKT-UHFFFAOYSA-N -1 1 421.219 4.053 20 0 HIADMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2cc(Br)c(F)cc2F)c1F ZINC000326825413 855412240 /nfs/dbraw/zinc/41/22/40/855412240.db2.gz HXGKBKZSVYOCLZ-UHFFFAOYSA-N -1 1 407.117 4.474 20 0 HIADMM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(C)c1 ZINC000326853654 855413287 /nfs/dbraw/zinc/41/32/87/855413287.db2.gz QDTRFTBELIGZBG-UHFFFAOYSA-N -1 1 404.271 4.200 20 0 HIADMM CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000327452343 855417427 /nfs/dbraw/zinc/41/74/27/855417427.db2.gz XNCCTPCONHKVPD-UHFFFAOYSA-N -1 1 404.271 4.281 20 0 HIADMM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1F ZINC000390351633 855454665 /nfs/dbraw/zinc/45/46/65/855454665.db2.gz JIWORXVJYLGGFZ-UHFFFAOYSA-N -1 1 401.301 4.234 20 0 HIADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1Cl ZINC000392960105 855466797 /nfs/dbraw/zinc/46/67/97/855466797.db2.gz AMGCEHVZFDADST-UHFFFAOYSA-N -1 1 413.826 4.316 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409454456 855487552 /nfs/dbraw/zinc/48/75/52/855487552.db2.gz YFEZFIKNBPUSEJ-DYESRHJHSA-N -1 1 424.298 4.387 20 0 HIADMM O=C(CCCC1CCOCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000409460085 855490107 /nfs/dbraw/zinc/49/01/07/855490107.db2.gz YWACWZTXLVUELT-UHFFFAOYSA-N -1 1 402.516 4.023 20 0 HIADMM CCCc1occc1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000409649436 855582144 /nfs/dbraw/zinc/58/21/44/855582144.db2.gz PQSAXJZFTBKABX-UHFFFAOYSA-N -1 1 412.511 4.305 20 0 HIADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410376158 855960804 /nfs/dbraw/zinc/96/08/04/855960804.db2.gz RYDWMWWMPKAMHJ-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3Br)ccc12 ZINC000410385553 855966039 /nfs/dbraw/zinc/96/60/39/855966039.db2.gz YBRXJUYUZBKVIB-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM CC(C)(c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cc1)C(F)(F)F ZINC000410396244 855971874 /nfs/dbraw/zinc/97/18/74/855971874.db2.gz CBKRZDJKBKAHQM-UHFFFAOYSA-N -1 1 420.840 4.080 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(-c4ccnn4C)ccc3C)cc2)co1 ZINC000410423173 855990410 /nfs/dbraw/zinc/99/04/10/855990410.db2.gz ZSMYKVZBGAECEK-UHFFFAOYSA-N -1 1 408.483 4.160 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ncc3n2CCCC3)cc1)c1cc(F)c(F)c(F)c1 ZINC000437400225 862745174 /nfs/dbraw/zinc/74/51/74/862745174.db2.gz IXZJKAVVOONFIO-UHFFFAOYSA-N -1 1 407.417 4.105 20 0 HIADMM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)c2)n1 ZINC000425940295 856010409 /nfs/dbraw/zinc/01/04/09/856010409.db2.gz AZLQUPTXEVXOFA-UHFFFAOYSA-N -1 1 411.314 4.051 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cc1F ZINC000425984649 856030509 /nfs/dbraw/zinc/03/05/09/856030509.db2.gz KEPKSOUVTCNQMC-UHFFFAOYSA-N -1 1 406.479 4.154 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)C1(C)CCC1 ZINC000426030011 856058170 /nfs/dbraw/zinc/05/81/70/856058170.db2.gz MWJISIBHNCYCAP-UHFFFAOYSA-N -1 1 408.907 4.278 20 0 HIADMM O=C([O-])c1ccc(N2CCC(NCc3csc(COc4ccccc4)n3)CC2)cc1 ZINC000426655711 856395741 /nfs/dbraw/zinc/39/57/41/856395741.db2.gz FEGBKUZMBISLQC-UHFFFAOYSA-N -1 1 423.538 4.179 20 0 HIADMM Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(C(=O)[O-])c(C)n2)o1 ZINC000426665446 856402063 /nfs/dbraw/zinc/40/20/63/856402063.db2.gz KVLPLOVGERFOCT-UHFFFAOYSA-N -1 1 402.454 4.132 20 0 HIADMM COc1cc(Br)c(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1OC ZINC000426722574 856434080 /nfs/dbraw/zinc/43/40/80/856434080.db2.gz IBXQPOVTYGEGNN-KPZWWZAWSA-N -1 1 408.292 4.018 20 0 HIADMM O=C([O-])[C@@H](Cc1cccc(Cl)c1)NCc1csc(COc2ccccc2)n1 ZINC000426734841 856441742 /nfs/dbraw/zinc/44/17/42/856441742.db2.gz RJDBWWBNVSQKJW-GOSISDBHSA-N -1 1 402.903 4.161 20 0 HIADMM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1OCc1ccc(F)cc1 ZINC000426797630 856484401 /nfs/dbraw/zinc/48/44/01/856484401.db2.gz BOUXITZHKLPKLN-JOCHJYFZSA-N -1 1 413.420 4.468 20 0 HIADMM COc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)cc(OC)c1OCc1ccccc1 ZINC000426816162 856493947 /nfs/dbraw/zinc/49/39/47/856493947.db2.gz IZJMAJVPGPFDFY-HXUWFJFHSA-N -1 1 413.495 4.260 20 0 HIADMM COc1cc(CN[C@H](C(=O)[O-])c2ccsc2)cc(OC)c1OCc1ccccc1 ZINC000426816161 856494204 /nfs/dbraw/zinc/49/42/04/856494204.db2.gz IZJMAJVPGPFDFY-FQEVSTJZSA-N -1 1 413.495 4.260 20 0 HIADMM COc1ccc([C@@H](NCc2ccc(Br)cc2SC)C(=O)[O-])cc1F ZINC000426824896 856499773 /nfs/dbraw/zinc/49/97/73/856499773.db2.gz OOXSQPFHPAUKBM-MRXNPFEDSA-N -1 1 414.296 4.234 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000427100275 856636582 /nfs/dbraw/zinc/63/65/82/856636582.db2.gz LTXGTQISRAUUKI-HXUWFJFHSA-N -1 1 408.546 4.447 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(NC(=O)C4CC4)ccc3C)cc2s1 ZINC000427105959 856640607 /nfs/dbraw/zinc/64/06/07/856640607.db2.gz BTYFDPNRPNIEFU-UHFFFAOYSA-N -1 1 401.513 4.062 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3NCC(F)(F)F)cc2s1 ZINC000427119164 856650110 /nfs/dbraw/zinc/65/01/10/856650110.db2.gz GKAVURIRDGNAQY-UHFFFAOYSA-N -1 1 401.435 4.380 20 0 HIADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000427183301 856697335 /nfs/dbraw/zinc/69/73/35/856697335.db2.gz CPZWISYOWVIOMF-WOJBJXKFSA-N -1 1 418.584 4.282 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1I ZINC000427195217 856705841 /nfs/dbraw/zinc/70/58/41/856705841.db2.gz BNZRDPMSLUBEOI-UHFFFAOYSA-N -1 1 423.222 4.338 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(CC(F)F)C(C)C)c2)c1 ZINC000427225090 856722181 /nfs/dbraw/zinc/72/21/81/856722181.db2.gz NPXOXENHVCXKOP-UHFFFAOYSA-N -1 1 410.486 4.220 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3CC(=O)OC(C)(C)C)cc2s1 ZINC000427257765 856740466 /nfs/dbraw/zinc/74/04/66/856740466.db2.gz QWUVISGRKPJARQ-UHFFFAOYSA-N -1 1 418.540 4.290 20 0 HIADMM Cc1cc(C)nc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)c1 ZINC000437472928 862834360 /nfs/dbraw/zinc/83/43/60/862834360.db2.gz KRFLFRQVASNTGM-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC000437485000 862843420 /nfs/dbraw/zinc/84/34/20/862843420.db2.gz KPXHDRQOWPYVTM-FOIQADDNSA-N -1 1 420.513 4.250 20 0 HIADMM COc1cc(C(=O)N(C)Cc2ccc(Br)c(F)c2)cc(Cl)c1[O-] ZINC000427571429 856871760 /nfs/dbraw/zinc/87/17/60/856871760.db2.gz JOCVEYDEGTUSMR-UHFFFAOYSA-N -1 1 402.647 4.228 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc(COC)cc(C(=O)OC)c1 ZINC000427751345 856937426 /nfs/dbraw/zinc/93/74/26/856937426.db2.gz CGLWOPXZZAVSRK-UHFFFAOYSA-N -1 1 419.543 4.496 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1 ZINC000428211439 857112687 /nfs/dbraw/zinc/11/26/87/857112687.db2.gz UIJMGCWCIXSHTN-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM COc1cc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)ccc1[N-]S(C)(=O)=O ZINC000428345928 857163899 /nfs/dbraw/zinc/16/38/99/857163899.db2.gz GFQUUVWCIAURJB-HNNXBMFYSA-N -1 1 404.532 4.007 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CC[C@@H]2CCC[C@@H]21 ZINC000428536890 857249315 /nfs/dbraw/zinc/24/93/15/857249315.db2.gz KEWHXMZKJOFLAN-LIRRHRJNSA-N -1 1 404.919 4.155 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000428546217 857256520 /nfs/dbraw/zinc/25/65/20/857256520.db2.gz WYRLPWNJNQZNOH-QFIPXVFZSA-N -1 1 416.525 4.412 20 0 HIADMM COc1cc(OC)cc(-c2cccc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)n2)c1 ZINC000428696230 857300489 /nfs/dbraw/zinc/30/04/89/857300489.db2.gz YAUXYBIDGHHEDK-UHFFFAOYSA-N -1 1 422.485 4.120 20 0 HIADMM CCC(CC)N(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@@H]1CCCc2cccnc21 ZINC000430133547 858046901 /nfs/dbraw/zinc/04/69/01/858046901.db2.gz ARRSVKLLQMZWNA-HXUWFJFHSA-N -1 1 421.545 4.084 20 0 HIADMM Cc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000430455822 858173933 /nfs/dbraw/zinc/17/39/33/858173933.db2.gz IRCMVSFBWYGZCR-AUUYWEPGSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)cc2)c1 ZINC000430460820 858177301 /nfs/dbraw/zinc/17/73/01/858177301.db2.gz WTVDZCZDDORXDX-MGPUTAFESA-N -1 1 400.544 4.365 20 0 HIADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccsc2Cl)c(F)c1Cl ZINC000437672316 863014812 /nfs/dbraw/zinc/01/48/12/863014812.db2.gz JMQYGAZZTUQQKA-UHFFFAOYSA-N -1 1 401.243 4.092 20 0 HIADMM O=S(=O)([N-]c1ccsc1Cl)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000437676542 863018644 /nfs/dbraw/zinc/01/86/44/863018644.db2.gz UKRFWWVQSFICGO-JTQLQIEISA-N -1 1 408.328 4.271 20 0 HIADMM CCc1cnccc1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431446632 858619498 /nfs/dbraw/zinc/61/94/98/858619498.db2.gz CFCGNVSSHGSRFX-UHFFFAOYSA-N -1 1 400.070 4.127 20 0 HIADMM Cc1ccc(CCC(=O)Nc2cc([O-])c(Br)cc2Br)o1 ZINC000431448854 858621805 /nfs/dbraw/zinc/62/18/05/858621805.db2.gz XWALVFRQFWCDIG-UHFFFAOYSA-N -1 1 403.070 4.390 20 0 HIADMM COCCC1(C(=O)Nc2cc([O-])c(Br)cc2Br)CCCC1 ZINC000431450547 858622471 /nfs/dbraw/zinc/62/24/71/858622471.db2.gz UTDONWNQJRTOMY-UHFFFAOYSA-N -1 1 421.129 4.453 20 0 HIADMM COc1cccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC000431455191 858625449 /nfs/dbraw/zinc/62/54/49/858625449.db2.gz DDKQLVSSTBYCMB-UHFFFAOYSA-N -1 1 401.054 4.178 20 0 HIADMM CN(C)c1cccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC000431462173 858628360 /nfs/dbraw/zinc/62/83/60/858628360.db2.gz YTOYPSQWNUOJNY-UHFFFAOYSA-N -1 1 414.097 4.236 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1noc(Cc2ccccc2)n1 ZINC000431917706 858869979 /nfs/dbraw/zinc/86/99/79/858869979.db2.gz ZMURGGPRZYNCFQ-NSHDSACASA-N -1 1 412.298 4.007 20 0 HIADMM COc1cc(Cl)cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000432002733 858917170 /nfs/dbraw/zinc/91/71/70/858917170.db2.gz MLLOFFKGTGMDCK-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM O=C(CCc1cncs1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000432068666 858966192 /nfs/dbraw/zinc/96/61/92/858966192.db2.gz WZDKGRBVIHCPPZ-UHFFFAOYSA-N -1 1 421.931 4.169 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(COc4cccc(F)c4)c3)ccc2[nH]1 ZINC000432200075 859043215 /nfs/dbraw/zinc/04/32/15/859043215.db2.gz DQVVLRPGWZJHDQ-UHFFFAOYSA-N -1 1 424.453 4.047 20 0 HIADMM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CCOCC1)c1cc(Cl)sc1Cl ZINC000432286578 859085999 /nfs/dbraw/zinc/08/59/99/859085999.db2.gz ZDOLALJVXQPPRQ-UHFFFAOYSA-N -1 1 424.346 4.264 20 0 HIADMM O=S(=O)([N-]CC[C@@H](c1ccccc1)C(F)(F)F)c1cnccc1C(F)(F)F ZINC000432297177 859090618 /nfs/dbraw/zinc/09/06/18/859090618.db2.gz HWRCLCMDEZSZGZ-LBPRGKRZSA-N -1 1 412.355 4.115 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)cc1Cl ZINC000432498568 859195264 /nfs/dbraw/zinc/19/52/64/859195264.db2.gz ZFPYQADXFRHWOY-UHFFFAOYSA-N -1 1 419.890 4.385 20 0 HIADMM Cc1c(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)oc2c1C(=O)CCC2 ZINC000432577879 859235132 /nfs/dbraw/zinc/23/51/32/859235132.db2.gz IFRCMLCJQORSNZ-HNNXBMFYSA-N -1 1 407.495 4.679 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432602596 859249300 /nfs/dbraw/zinc/24/93/00/859249300.db2.gz NMKNKIDOHCIFGZ-OAHLLOKOSA-N -1 1 423.542 4.360 20 0 HIADMM Cn1cc(-c2nc(C(=O)[N-]c3nnc([C@@H]4CCCc5ccccc54)s3)cs2)cn1 ZINC000432601787 859249800 /nfs/dbraw/zinc/24/98/00/859249800.db2.gz ORLCAZODCIXSBE-OAHLLOKOSA-N -1 1 422.539 4.116 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)cc(F)c3)c2)cc1 ZINC000432730039 859323974 /nfs/dbraw/zinc/32/39/74/859323974.db2.gz JZKPPGMJBITRKU-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)cc1Cl ZINC000432767507 859347459 /nfs/dbraw/zinc/34/74/59/859347459.db2.gz IBKOALFIELTMQK-UHFFFAOYSA-N -1 1 422.934 4.084 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)cc1Cl ZINC000432769056 859349169 /nfs/dbraw/zinc/34/91/69/859349169.db2.gz QNMXFZPXTCINQJ-INIZCTEOSA-N -1 1 411.907 4.016 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)cc1Cl ZINC000432769258 859349194 /nfs/dbraw/zinc/34/91/94/859349194.db2.gz RMNCKUGKSJOZGM-UHFFFAOYSA-N -1 1 423.922 4.086 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c(C(F)(F)F)c1 ZINC000432769554 859350281 /nfs/dbraw/zinc/35/02/81/859350281.db2.gz SPTZHYNASHRMMX-UHFFFAOYSA-N -1 1 402.438 4.359 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)cc1Cl ZINC000432776827 859355907 /nfs/dbraw/zinc/35/59/07/859355907.db2.gz RBIYSNULSYPTLJ-UHFFFAOYSA-N -1 1 418.902 4.432 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3cc(C(C)C)c(OC)cc3C)ccc2o1 ZINC000432958818 859448709 /nfs/dbraw/zinc/44/87/09/859448709.db2.gz FKPGLLBQXOPGHO-UHFFFAOYSA-N -1 1 418.515 4.258 20 0 HIADMM O=S(=O)([N-]c1ncccc1Br)c1cc(C(F)(F)F)ccc1Cl ZINC000433372312 859663302 /nfs/dbraw/zinc/66/33/02/859663302.db2.gz HATUXSRRBABBHB-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc(Br)sc1Cl ZINC000433614151 859810739 /nfs/dbraw/zinc/81/07/39/859810739.db2.gz CJAVPLRZNLSKQH-UHFFFAOYSA-N -1 1 406.632 4.382 20 0 HIADMM CSC1(CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)CCC1 ZINC000433711891 859848721 /nfs/dbraw/zinc/84/87/21/859848721.db2.gz GGWCTGWMPXYDDC-UHFFFAOYSA-N -1 1 418.584 4.120 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000434226038 860210988 /nfs/dbraw/zinc/21/09/88/860210988.db2.gz OCKBJYOEWIGPAG-IAGOWNOFSA-N -1 1 420.918 4.134 20 0 HIADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000434345487 860302944 /nfs/dbraw/zinc/30/29/44/860302944.db2.gz ZSWQXTZXNBHCAM-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000434634507 860440986 /nfs/dbraw/zinc/44/09/86/860440986.db2.gz SEBFSUDMRPSHIZ-UHFFFAOYSA-N -1 1 403.479 4.054 20 0 HIADMM COc1ccccc1Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1F ZINC000467742851 881544915 /nfs/dbraw/zinc/54/49/15/881544915.db2.gz BNEBTUQKDCQSOG-UHFFFAOYSA-N -1 1 421.402 4.027 20 0 HIADMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000434968775 860579660 /nfs/dbraw/zinc/57/96/60/860579660.db2.gz VCUSFDIGPBSXBL-UHFFFAOYSA-N -1 1 413.312 4.298 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1 ZINC000467752895 881563672 /nfs/dbraw/zinc/56/36/72/881563672.db2.gz HXYRDXYGAXUTDB-UHFFFAOYSA-N -1 1 414.449 4.297 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1Br ZINC000435140516 860661752 /nfs/dbraw/zinc/66/17/52/860661752.db2.gz UDYMRNNCQDGEMQ-UHFFFAOYSA-N -1 1 424.238 4.499 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000467758265 881574075 /nfs/dbraw/zinc/57/40/75/881574075.db2.gz ZOJZXYOGIHRXJE-UHFFFAOYSA-N -1 1 421.858 4.319 20 0 HIADMM O=S(=O)([N-]Cc1ncc(-c2ccccc2)cn1)c1c(Cl)cc(F)cc1Cl ZINC000435436275 860798156 /nfs/dbraw/zinc/79/81/56/860798156.db2.gz DXQWBZTXRRHTAI-UHFFFAOYSA-N -1 1 412.273 4.068 20 0 HIADMM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435437167 860798779 /nfs/dbraw/zinc/79/87/79/860798779.db2.gz IOTBJBIJBZQMPX-QLJPJBMISA-N -1 1 422.305 4.196 20 0 HIADMM O=S(=O)([N-]Cc1csc(-c2ccco2)n1)c1c(Cl)cc(F)cc1Cl ZINC000435437275 860798985 /nfs/dbraw/zinc/79/89/85/860798985.db2.gz JXPSVHBFECRZMG-UHFFFAOYSA-N -1 1 407.275 4.328 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCC(F)(F)C3)ccc2C)c1 ZINC000435467645 860808417 /nfs/dbraw/zinc/80/84/17/860808417.db2.gz JBGWBGMXMBYZPO-HNNXBMFYSA-N -1 1 408.470 4.478 20 0 HIADMM CC[C@@](C)(OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000435469576 860809345 /nfs/dbraw/zinc/80/93/45/860809345.db2.gz VXJPGNKPLKDROO-LJQANCHMSA-N -1 1 410.923 4.203 20 0 HIADMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000435484629 860816109 /nfs/dbraw/zinc/81/61/09/860816109.db2.gz QOSKCYNYFHVIGB-UHFFFAOYSA-N -1 1 415.437 4.217 20 0 HIADMM O=S(=O)([N-][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(Br)o1 ZINC000435592879 860899263 /nfs/dbraw/zinc/89/92/63/860899263.db2.gz JREFILMFKXGNRY-UMSPYCQHSA-N -1 1 424.238 4.285 20 0 HIADMM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000467793552 881617283 /nfs/dbraw/zinc/61/72/83/881617283.db2.gz VOQMTLGUMXDQEK-HUUCEWRRSA-N -1 1 416.362 4.018 20 0 HIADMM Cc1cncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)c1 ZINC000438051245 863418164 /nfs/dbraw/zinc/41/81/64/863418164.db2.gz UUYKFGVHSIVKFO-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)C1CC(F)(F)C1 ZINC000438061923 863433268 /nfs/dbraw/zinc/43/32/68/863433268.db2.gz VLEOPCAYCLRWEL-UHFFFAOYSA-N -1 1 418.824 4.264 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000438232754 863672674 /nfs/dbraw/zinc/67/26/74/863672674.db2.gz GZMZFUCUJJEYHF-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000438244939 863703707 /nfs/dbraw/zinc/70/37/07/863703707.db2.gz UPWSYYQEXFIRPQ-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000467861443 881712387 /nfs/dbraw/zinc/71/23/87/881712387.db2.gz CYEZEAKFGCFKSV-UKRRQHHQSA-N -1 1 421.278 4.405 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2)o1 ZINC000438723908 864207602 /nfs/dbraw/zinc/20/76/02/864207602.db2.gz PEJSBPAAMDSUAA-UHFFFAOYSA-N -1 1 401.488 4.135 20 0 HIADMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)cc21 ZINC000438766479 864260839 /nfs/dbraw/zinc/26/08/39/864260839.db2.gz RXYOFEKTNQEQIV-UHFFFAOYSA-N -1 1 412.284 4.320 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1O ZINC000438765486 864261163 /nfs/dbraw/zinc/26/11/63/864261163.db2.gz JFOJGXGRIVQJPA-UHFFFAOYSA-N -1 1 410.211 4.283 20 0 HIADMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000438774315 864268981 /nfs/dbraw/zinc/26/89/81/864268981.db2.gz RKRXHBBAEXQEJW-RUZDIDTESA-N -1 1 408.570 4.132 20 0 HIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1 ZINC000438795006 864288297 /nfs/dbraw/zinc/28/82/97/864288297.db2.gz UMIWKQYZEUGJGK-UHFFFAOYSA-N -1 1 402.516 4.311 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000438799890 864291688 /nfs/dbraw/zinc/29/16/88/864291688.db2.gz CKHANGXTQAISKW-UHFFFAOYSA-N -1 1 420.556 4.420 20 0 HIADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000438808454 864299249 /nfs/dbraw/zinc/29/92/49/864299249.db2.gz GBBPAKRPFATVKY-UHFFFAOYSA-N -1 1 424.238 4.415 20 0 HIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000438809393 864300254 /nfs/dbraw/zinc/30/02/54/864300254.db2.gz VDZHZJVVUCUWQO-UHFFFAOYSA-N -1 1 422.222 4.471 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(N)=O)c3)cc2s1 ZINC000438810000 864300982 /nfs/dbraw/zinc/30/09/82/864300982.db2.gz WJHLFHWKLDQJTR-UHFFFAOYSA-N -1 1 423.947 4.147 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000438814864 864307185 /nfs/dbraw/zinc/30/71/85/864307185.db2.gz ZZTUXJFBYZUUSD-UHFFFAOYSA-N -1 1 403.529 4.353 20 0 HIADMM Cc1ccc(-c2nc(CC3CC3)no2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000438821504 864314740 /nfs/dbraw/zinc/31/47/40/864314740.db2.gz SOMDMFMZVLIKSY-UHFFFAOYSA-N -1 1 403.891 4.452 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC3CC3)ccc2C)cc1 ZINC000438834953 864328630 /nfs/dbraw/zinc/32/86/30/864328630.db2.gz BIJVULDYKXXMRF-OAHLLOKOSA-N -1 1 400.544 4.449 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC3CC3)ccc2C)cc1Cl ZINC000438857444 864351522 /nfs/dbraw/zinc/35/15/22/864351522.db2.gz MOHVJYKXGCTXFU-UHFFFAOYSA-N -1 1 424.975 4.311 20 0 HIADMM C[C@H]1CC[C@H](CCC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)O1 ZINC000438892911 864375316 /nfs/dbraw/zinc/37/53/16/864375316.db2.gz YOQNDDMPZUDPTN-XJKSGUPXSA-N -1 1 424.469 4.052 20 0 HIADMM COc1ccc(Nc2nc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cs2)cc1 ZINC000439066686 864519436 /nfs/dbraw/zinc/51/94/36/864519436.db2.gz DZHXYGHOYBCHJV-UHFFFAOYSA-N -1 1 407.455 4.243 20 0 HIADMM O=S(=O)([N-]Cc1nc(-c2cccs2)c[nH]1)c1ccc(Cl)c(F)c1Cl ZINC000439206123 864629807 /nfs/dbraw/zinc/62/98/07/864629807.db2.gz XTMMXERAKDRIFL-UHFFFAOYSA-N -1 1 406.291 4.063 20 0 HIADMM Cc1ccn(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000439254154 864671136 /nfs/dbraw/zinc/67/11/36/864671136.db2.gz DKALMLSXVZURLA-UHFFFAOYSA-N -1 1 403.891 4.040 20 0 HIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)c2)n1 ZINC000467930308 881803635 /nfs/dbraw/zinc/80/36/35/881803635.db2.gz DRCGRXCCJBDXOU-LBPRGKRZSA-N -1 1 404.875 4.428 20 0 HIADMM O=C(Cc1cnc2ccccc2c1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000439412445 864823524 /nfs/dbraw/zinc/82/35/24/864823524.db2.gz QGZVDCLNQMQLRA-UHFFFAOYSA-N -1 1 417.490 4.217 20 0 HIADMM CC(C)C(C)(C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000439741653 865074515 /nfs/dbraw/zinc/07/45/15/865074515.db2.gz DSIBZLCEQDRAKV-UHFFFAOYSA-N -1 1 410.923 4.467 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nncn2C(C)C)cc1 ZINC000439871169 865181358 /nfs/dbraw/zinc/18/13/58/865181358.db2.gz HUCXYNGZFXKAJE-UHFFFAOYSA-N -1 1 400.504 4.116 20 0 HIADMM CCC[C@H](C)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n[nH]1 ZINC000439912930 865221267 /nfs/dbraw/zinc/22/12/67/865221267.db2.gz RMUFXIUEFFZDGZ-HNNXBMFYSA-N -1 1 412.515 4.366 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1 ZINC000440234485 865470330 /nfs/dbraw/zinc/47/03/30/865470330.db2.gz KJMSZESQRCPENS-UZLBHIALSA-N -1 1 416.518 4.340 20 0 HIADMM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)O1 ZINC000440366730 865650890 /nfs/dbraw/zinc/65/08/90/865650890.db2.gz MCGVWPYWBMVIMM-KSSFIOAISA-N -1 1 422.934 4.427 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)CC[C@H]3C)cc2)cc1C ZINC000440414623 865709962 /nfs/dbraw/zinc/70/99/62/865709962.db2.gz ZZDMKDDJKNOMRZ-CRAIPNDOSA-N -1 1 400.544 4.365 20 0 HIADMM CC(C)[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccncc1 ZINC000468106014 881921634 /nfs/dbraw/zinc/92/16/34/881921634.db2.gz JCEKVVQRVLZSMU-OAQYLSRUSA-N -1 1 409.511 4.261 20 0 HIADMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)c4ncccc34)cc2)n1 ZINC000441714954 866817083 /nfs/dbraw/zinc/81/70/83/866817083.db2.gz FVGCZCCVVQNVLJ-UHFFFAOYSA-N -1 1 410.430 4.065 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cc(C)c1Cl ZINC000442254491 867291972 /nfs/dbraw/zinc/29/19/72/867291972.db2.gz TWBZDJDSOZNHPC-UHFFFAOYSA-N -1 1 420.840 4.050 20 0 HIADMM C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000442399960 867380325 /nfs/dbraw/zinc/38/03/25/867380325.db2.gz VZSCOMROVMJPGS-OAHLLOKOSA-N -1 1 413.524 4.002 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)C2(Oc3ccccc3F)CC2)cc1[O-] ZINC000442738784 867657326 /nfs/dbraw/zinc/65/73/26/867657326.db2.gz BFNZIKZBIVWDOE-UHFFFAOYSA-N -1 1 412.461 4.144 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1cnccc1C(F)(F)F ZINC000442818662 867686612 /nfs/dbraw/zinc/68/66/12/867686612.db2.gz OQKBZVXNESKOQH-UHFFFAOYSA-N -1 1 408.361 4.038 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1cnccc1C(F)(F)F ZINC000442820512 867686668 /nfs/dbraw/zinc/68/66/68/867686668.db2.gz BQYNCYYIRMJDMT-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1ccc(Cl)cc1F ZINC000442832947 867691645 /nfs/dbraw/zinc/69/16/45/867691645.db2.gz GOMQKYHGPLEONT-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CC(C)(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000442840247 867693425 /nfs/dbraw/zinc/69/34/25/867693425.db2.gz CZYMVSMZRPAOBZ-UHFFFAOYSA-N -1 1 421.462 4.078 20 0 HIADMM COc1cc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc(Cl)c1[O-] ZINC000442857104 867701268 /nfs/dbraw/zinc/70/12/68/867701268.db2.gz PAGTTWOFWDYQAF-UHFFFAOYSA-N -1 1 409.816 4.068 20 0 HIADMM CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc(Cl)c([O-])c(OC)c3)n2)cc1 ZINC000443053958 867803829 /nfs/dbraw/zinc/80/38/29/867803829.db2.gz CENDOJHMUXBDBP-NSHDSACASA-N -1 1 401.850 4.158 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)cc(Cl)c1[O-] ZINC000443052801 867804051 /nfs/dbraw/zinc/80/40/51/867804051.db2.gz AOVVTPQEJCCGPZ-VIFPVBQESA-N -1 1 416.674 4.317 20 0 HIADMM COc1cc(C(=O)NCc2cccc(COCC(F)(F)F)c2)cc(Cl)c1[O-] ZINC000443058171 867804923 /nfs/dbraw/zinc/80/49/23/867804923.db2.gz MJLHIUNSENMATD-UHFFFAOYSA-N -1 1 403.784 4.063 20 0 HIADMM COc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc(Cl)c1[O-] ZINC000443126134 867832386 /nfs/dbraw/zinc/83/23/86/867832386.db2.gz GOYJTBAQENLXNH-LLVKDONJSA-N -1 1 415.704 4.370 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)c1 ZINC000443402195 867980537 /nfs/dbraw/zinc/98/05/37/867980537.db2.gz WZYBOHCFVKAZGN-UHFFFAOYSA-N -1 1 416.543 4.257 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2N[C@H](C)c2ccccc2)c1 ZINC000443527064 868083896 /nfs/dbraw/zinc/08/38/96/868083896.db2.gz GKVXRDLKEAEQTD-MRXNPFEDSA-N -1 1 410.495 4.447 20 0 HIADMM C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1ccccc1 ZINC000443531814 868090304 /nfs/dbraw/zinc/09/03/04/868090304.db2.gz RIEVJBCUASHKQJ-MRXNPFEDSA-N -1 1 421.522 4.179 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc(-c2cnco2)cc1 ZINC000444355861 868781648 /nfs/dbraw/zinc/78/16/48/868781648.db2.gz BIGLXEQHAAEDEE-UHFFFAOYSA-N -1 1 405.454 4.362 20 0 HIADMM COc1cc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000444420829 868821701 /nfs/dbraw/zinc/82/17/01/868821701.db2.gz SVSZHNROUZWXLL-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2occc2CN2c3ccccc3C[C@@H]2C)s1 ZINC000444462946 868838772 /nfs/dbraw/zinc/83/87/72/868838772.db2.gz HKGKKOWICJTYJJ-LBPRGKRZSA-N -1 1 420.498 4.033 20 0 HIADMM CCN(CC)c1nc2sc(C(=O)[N-]c3nnc(-c4c[nH]nc4C)s3)cc2s1 ZINC000444466162 868839682 /nfs/dbraw/zinc/83/96/82/868839682.db2.gz VLKKLWGVUCJVBW-UHFFFAOYSA-N -1 1 419.561 4.006 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000444466728 868840917 /nfs/dbraw/zinc/84/09/17/868840917.db2.gz YZJMYOVTMVHWEY-UHFFFAOYSA-N -1 1 424.522 4.304 20 0 HIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(CCC(=O)N2CCCC2)cc1 ZINC000468341667 882277379 /nfs/dbraw/zinc/27/73/79/882277379.db2.gz MWBGRRVAKCKMLC-UHFFFAOYSA-N -1 1 400.544 4.166 20 0 HIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468343009 882279601 /nfs/dbraw/zinc/27/96/01/882279601.db2.gz CMKAOPOTPDPQMC-UHFFFAOYSA-N -1 1 405.854 4.289 20 0 HIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1ccoc1Br ZINC000445177704 869262638 /nfs/dbraw/zinc/26/26/38/869262638.db2.gz CMTUUPAFOTWSEW-UHFFFAOYSA-N -1 1 402.320 4.500 20 0 HIADMM COc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)c([O-])c1 ZINC000445366361 869435466 /nfs/dbraw/zinc/43/54/66/869435466.db2.gz AJOPBACNCUDVGO-UHFFFAOYSA-N -1 1 417.421 4.424 20 0 HIADMM COc1cc(-c2noc(COc3ccc(Cl)cc3)n2)cc(Br)c1[O-] ZINC000445389247 869475579 /nfs/dbraw/zinc/47/55/79/869475579.db2.gz FKFGPYJALJGANV-UHFFFAOYSA-N -1 1 411.639 4.446 20 0 HIADMM COc1cc(-c2noc(-c3cc(C)n(C(C)(C)C)n3)n2)cc(Br)c1[O-] ZINC000445398386 869484216 /nfs/dbraw/zinc/48/42/16/869484216.db2.gz TYEOIQSOYWFYPZ-UHFFFAOYSA-N -1 1 407.268 4.140 20 0 HIADMM COc1cc(-c2noc(COc3ccc(F)cc3F)n2)cc(Br)c1[O-] ZINC000445402796 869486945 /nfs/dbraw/zinc/48/69/45/869486945.db2.gz LNEBIKJKIYHWBZ-UHFFFAOYSA-N -1 1 413.174 4.071 20 0 HIADMM CCOc1cc(-c2noc(CCc3ccccc3C(=O)OC)n2)cc(Cl)c1[O-] ZINC000445404743 869489616 /nfs/dbraw/zinc/48/96/16/869489616.db2.gz WVZGQFGXKGZHFN-UHFFFAOYSA-N -1 1 402.834 4.066 20 0 HIADMM CCOc1cc(-c2noc(-c3nn(-c4ccccc4)cc3OC)n2)cc(Cl)c1[O-] ZINC000445421905 869504845 /nfs/dbraw/zinc/50/48/45/869504845.db2.gz ZYSVTNCVJJBOMR-UHFFFAOYSA-N -1 1 412.833 4.356 20 0 HIADMM C[C@@H](NC(=O)c1ccc(Br)cc1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445443273 869525221 /nfs/dbraw/zinc/52/52/21/869525221.db2.gz BQSMWLLGBJAOEN-SECBINFHSA-N -1 1 422.666 4.349 20 0 HIADMM O=C1C[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CN1c1ccc(Cl)c(F)c1 ZINC000445447747 869528897 /nfs/dbraw/zinc/52/88/97/869528897.db2.gz PPTRGXOLJXGGDK-VIFPVBQESA-N -1 1 408.216 4.409 20 0 HIADMM COc1ccc([C@@H]2[C@@H](c3nc(-c4ccc([O-])cc4Cl)no3)CCC(=O)N2C)cc1 ZINC000445451920 869530858 /nfs/dbraw/zinc/53/08/58/869530858.db2.gz MGJRQFBQCDHNFH-QFBILLFUSA-N -1 1 413.861 4.181 20 0 HIADMM Cc1cc(-c2noc(CCc3nc(-c4ccc([O-])cc4Cl)no3)n2)ccc1F ZINC000445457360 869534386 /nfs/dbraw/zinc/53/43/86/869534386.db2.gz YIKCNRXYTUSUMC-UHFFFAOYSA-N -1 1 400.797 4.378 20 0 HIADMM O=S(=O)(c1ccc(Cl)cc1)C1(c2nc(-c3ccc([O-])cc3F)no2)CCCC1 ZINC000445458259 869536040 /nfs/dbraw/zinc/53/60/40/869536040.db2.gz RKOGMJZSOBWYPR-UHFFFAOYSA-N -1 1 422.865 4.478 20 0 HIADMM [O-]c1ccc(-c2noc(CCCc3nc(-c4ccc(Cl)cc4)no3)n2)c(F)c1 ZINC000445458362 869536328 /nfs/dbraw/zinc/53/63/28/869536328.db2.gz SFEUTHUBGHGHOR-UHFFFAOYSA-N -1 1 400.797 4.460 20 0 HIADMM O=C1C[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CN1c1cc(Cl)cc(Cl)c1 ZINC000445460725 869537230 /nfs/dbraw/zinc/53/72/30/869537230.db2.gz BUKSWPCKDBTYAX-SECBINFHSA-N -1 1 408.216 4.409 20 0 HIADMM O=S(=O)(Cc1ccccc1)c1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445462055 869538047 /nfs/dbraw/zinc/53/80/47/869538047.db2.gz ZOFZGYONKZJDQR-UHFFFAOYSA-N -1 1 410.426 4.222 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000445461986 869538504 /nfs/dbraw/zinc/53/85/04/869538504.db2.gz BLYOYZBZOSWTHL-MRVPVSSYSA-N -1 1 404.300 4.144 20 0 HIADMM O=C(Nc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1)[C@H]1Cc2ccccc2O1 ZINC000445476771 869549957 /nfs/dbraw/zinc/54/99/57/869549957.db2.gz HWPQWVBFZMYEDG-HXUWFJFHSA-N -1 1 417.396 4.191 20 0 HIADMM O=C1[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCN1c1cc(Cl)ccc1Cl ZINC000445488497 869558547 /nfs/dbraw/zinc/55/85/47/869558547.db2.gz WKHSYKMJGHMCSD-LLVKDONJSA-N -1 1 408.216 4.409 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc(-c3cncs3)no2)c1 ZINC000445586954 869647097 /nfs/dbraw/zinc/64/70/97/869647097.db2.gz HONMEJMSLOPPCI-UHFFFAOYSA-N -1 1 418.887 4.314 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(C(C)(C)c2ccccc2Cl)no1 ZINC000445680763 869751039 /nfs/dbraw/zinc/75/10/39/869751039.db2.gz DUXUQCJGVZFSDV-NSHDSACASA-N -1 1 411.936 4.150 20 0 HIADMM Cc1ccc(NC(=O)Cc2c(F)cccc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000445852811 869859341 /nfs/dbraw/zinc/85/93/41/869859341.db2.gz YQBWFONPFRKRND-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM CSc1cc2c(cc1[N-]C(=O)c1c(F)cc(Br)cc1F)OCCO2 ZINC000446172529 870112098 /nfs/dbraw/zinc/11/20/98/870112098.db2.gz NQMJTOMYQYQFRL-UHFFFAOYSA-N -1 1 416.243 4.473 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC[C@H](C(C)C)C1 ZINC000446518563 870436012 /nfs/dbraw/zinc/43/60/12/870436012.db2.gz BMFIHTOFHHOUHM-INIZCTEOSA-N -1 1 404.507 4.053 20 0 HIADMM O=S(=O)(Cc1ccccc1Cl)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000446787430 870705039 /nfs/dbraw/zinc/70/50/39/870705039.db2.gz UCKGZFNTPWOUHR-UHFFFAOYSA-N -1 1 417.705 4.169 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000446871622 870791711 /nfs/dbraw/zinc/79/17/11/870791711.db2.gz IDSZYQNPOARUGD-QHCPKHFHSA-N -1 1 410.493 4.171 20 0 HIADMM C[C@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000446892209 870811444 /nfs/dbraw/zinc/81/14/44/870811444.db2.gz IXWMDJKIGRQYBB-YVEFUNNKSA-N -1 1 401.388 4.165 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000468493339 882475509 /nfs/dbraw/zinc/47/55/09/882475509.db2.gz VDJYMMAIRSSYOX-RXVVDRJESA-N -1 1 416.525 4.138 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2cccc(COC)c2)ccc1Cl)C(C)C ZINC000447259443 871138688 /nfs/dbraw/zinc/13/86/88/871138688.db2.gz HEUZLZKJPHHJBD-UHFFFAOYSA-N -1 1 424.950 4.158 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1Cl)C(C)C ZINC000447264634 871147092 /nfs/dbraw/zinc/14/70/92/871147092.db2.gz MZXYWJINIWDONR-UHFFFAOYSA-N -1 1 412.914 4.459 20 0 HIADMM Cn1c(=O)ccc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc21 ZINC000447267958 871150883 /nfs/dbraw/zinc/15/08/83/871150883.db2.gz SICHPHOOIFLABK-UHFFFAOYSA-N -1 1 416.808 4.012 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1C(=O)N(C)C(C)C ZINC000447272123 871157978 /nfs/dbraw/zinc/15/79/78/871157978.db2.gz CBSAYRIEAXZQHO-UHFFFAOYSA-N -1 1 414.449 4.295 20 0 HIADMM COCCOc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)ccc1OC ZINC000447340657 871238132 /nfs/dbraw/zinc/23/81/32/871238132.db2.gz LSJUQYVEEGBXTP-UHFFFAOYSA-N -1 1 421.902 4.328 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@H](c3ccccc3)C(C)C)c2)n1 ZINC000447680347 871611979 /nfs/dbraw/zinc/61/19/79/871611979.db2.gz OCNGUJKVYYSLDE-FQEVSTJZSA-N -1 1 420.513 4.095 20 0 HIADMM O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000447703577 871645204 /nfs/dbraw/zinc/64/52/04/871645204.db2.gz BDYOVUKAYZLFLL-UHFFFAOYSA-N -1 1 406.251 4.029 20 0 HIADMM O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000447708327 871649436 /nfs/dbraw/zinc/64/94/36/871649436.db2.gz GOHOTZQHJXXQNU-UHFFFAOYSA-N -1 1 406.251 4.029 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)c3ccncc3)c2)c1 ZINC000448037377 871870675 /nfs/dbraw/zinc/87/06/75/871870675.db2.gz COMBLZTYSSJNKC-UHFFFAOYSA-N -1 1 423.494 4.036 20 0 HIADMM COc1cc(C(=O)Nc2cnn(-c3ccccc3Br)c2)cc(Cl)c1[O-] ZINC000460128127 872608551 /nfs/dbraw/zinc/60/85/51/872608551.db2.gz OTESIPAZVQOWEH-UHFFFAOYSA-N -1 1 422.666 4.255 20 0 HIADMM COc1cc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc(Cl)c1[O-] ZINC000460187954 872754153 /nfs/dbraw/zinc/75/41/53/872754153.db2.gz VESUDZZOMXMWJN-UHFFFAOYSA-N -1 1 402.809 4.311 20 0 HIADMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460425518 873086815 /nfs/dbraw/zinc/08/68/15/873086815.db2.gz MFZSISWBOVETMZ-UHFFFAOYSA-N -1 1 402.545 4.065 20 0 HIADMM CC(C)(C)c1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)no1 ZINC000460783815 873640083 /nfs/dbraw/zinc/64/00/83/873640083.db2.gz FMSLGFLWOXBHON-UHFFFAOYSA-N -1 1 417.462 4.164 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC4(CCC4)[C@H]3C3CC3)c2)cc1 ZINC000460967069 873863880 /nfs/dbraw/zinc/86/38/80/873863880.db2.gz BFSCYVKOGSXLLN-OAQYLSRUSA-N -1 1 410.539 4.201 20 0 HIADMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(Cl)c1 ZINC000461115949 874040447 /nfs/dbraw/zinc/04/04/47/874040447.db2.gz ZFEZAMXOPJSONA-UHFFFAOYSA-N -1 1 413.826 4.316 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(OCc2ccccc2F)cc1 ZINC000468654851 882790984 /nfs/dbraw/zinc/79/09/84/882790984.db2.gz CMUIGPIKXFWQTN-UHFFFAOYSA-N -1 1 423.488 4.436 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000461198443 874198174 /nfs/dbraw/zinc/19/81/74/874198174.db2.gz UTKLXOKRQVJPMO-QGZVFWFLSA-N -1 1 418.559 4.038 20 0 HIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Br)cc2)c1C ZINC000461206295 874207343 /nfs/dbraw/zinc/20/73/43/874207343.db2.gz GIZSQBZXUYICQR-UHFFFAOYSA-N -1 1 424.295 4.192 20 0 HIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3Br)cc2)c1C ZINC000461212392 874214121 /nfs/dbraw/zinc/21/41/21/874214121.db2.gz QFNKYLHRPXTJOM-UHFFFAOYSA-N -1 1 420.332 4.361 20 0 HIADMM O=C1CCCN1c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461350047 874356414 /nfs/dbraw/zinc/35/64/14/874356414.db2.gz XWLITNBVZTZABZ-UHFFFAOYSA-N -1 1 424.853 4.348 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H]4CCC[C@@H]43)c2)cc1F ZINC000461493722 874561900 /nfs/dbraw/zinc/56/19/00/874561900.db2.gz IHDAGJFJGFDPBI-KKSFZXQISA-N -1 1 416.518 4.340 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]4CCC[C@H]43)cc2)ccc1F ZINC000461503155 874577772 /nfs/dbraw/zinc/57/77/72/874577772.db2.gz PAKVIOYZUVUKJK-HRAATJIYSA-N -1 1 416.518 4.340 20 0 HIADMM Cc1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1 ZINC000462047550 875159853 /nfs/dbraw/zinc/15/98/53/875159853.db2.gz ABTQKPCGPSRPOA-UHFFFAOYSA-N -1 1 419.890 4.306 20 0 HIADMM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000462057828 875169994 /nfs/dbraw/zinc/16/99/94/875169994.db2.gz VNXFFVUJBDSBPN-UHFFFAOYSA-N -1 1 402.398 4.304 20 0 HIADMM C=Cc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000462377435 875489515 /nfs/dbraw/zinc/48/95/15/875489515.db2.gz AGLVVWZOKLJZJE-UHFFFAOYSA-N -1 1 406.507 4.103 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000462380502 875492991 /nfs/dbraw/zinc/49/29/91/875492991.db2.gz LZOGXBVOOJRLFT-MRXNPFEDSA-N -1 1 400.544 4.440 20 0 HIADMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000462392136 875502550 /nfs/dbraw/zinc/50/25/50/875502550.db2.gz KOVHXJJTZWBJKK-QMMMGPOBSA-N -1 1 419.168 4.238 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)on1 ZINC000462400232 875508096 /nfs/dbraw/zinc/50/80/96/875508096.db2.gz YCWLDBKGIHYVNX-UHFFFAOYSA-N -1 1 421.744 4.473 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1nc(C(C)(C)C)no1 ZINC000462686778 875778440 /nfs/dbraw/zinc/77/84/40/875778440.db2.gz YFZFXQJUDJIOKG-QMMMGPOBSA-N -1 1 411.833 4.079 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1nc(C(C)(C)C)no1 ZINC000462687415 875780095 /nfs/dbraw/zinc/78/00/95/875780095.db2.gz ZECXOEUFHIFCRV-MRVPVSSYSA-N -1 1 411.833 4.079 20 0 HIADMM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000462721719 875800727 /nfs/dbraw/zinc/80/07/27/875800727.db2.gz UZTJYMBMBDXREU-LLVKDONJSA-N -1 1 423.840 4.113 20 0 HIADMM CN(CCc1cccc(Br)c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000462847047 875881977 /nfs/dbraw/zinc/88/19/77/875881977.db2.gz XUDBVQKXDCXGMD-UHFFFAOYSA-N -1 1 413.109 4.232 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc2cc[nH]c21 ZINC000463114740 876155079 /nfs/dbraw/zinc/15/50/79/876155079.db2.gz VBHMUPYVQBPBGB-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)cc1 ZINC000463529734 876605169 /nfs/dbraw/zinc/60/51/69/876605169.db2.gz ZQJUSUYKZAZSII-GFCCVEGCSA-N -1 1 412.964 4.391 20 0 HIADMM CC[C@H](C)C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000463914402 877035803 /nfs/dbraw/zinc/03/58/03/877035803.db2.gz GJXGJMPXYZZIHD-HOTGVXAUSA-N -1 1 404.532 4.051 20 0 HIADMM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000464040674 877179374 /nfs/dbraw/zinc/17/93/74/877179374.db2.gz JJQBFSOWQJNZGL-LEWJYISDSA-N -1 1 406.530 4.087 20 0 HIADMM CCc1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)s1 ZINC000464090525 877245507 /nfs/dbraw/zinc/24/55/07/877245507.db2.gz NXEUNMJWNHSKCJ-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)s1 ZINC000464097463 877252929 /nfs/dbraw/zinc/25/29/29/877252929.db2.gz VLYPEGQENPGLQQ-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1c(F)cccc1Cl ZINC000464195962 877367618 /nfs/dbraw/zinc/36/76/18/877367618.db2.gz RPGCKLZYSLATRG-LSDHHAIUSA-N -1 1 408.253 4.080 20 0 HIADMM C[C@@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000464265765 877448225 /nfs/dbraw/zinc/44/82/25/877448225.db2.gz ZICXXTILEZVQLO-NSHDSACASA-N -1 1 420.840 4.212 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CC(F)(F)F)cc2)ccc1F ZINC000464273322 877457348 /nfs/dbraw/zinc/45/73/48/877457348.db2.gz RREUMCPCUQQBOX-GFCCVEGCSA-N -1 1 418.412 4.006 20 0 HIADMM Cc1oc2ccccc2c1CC[N-]S(=O)(=O)c1sccc1Br ZINC000464376559 877576946 /nfs/dbraw/zinc/57/69/46/877576946.db2.gz RTLOAYFPNAVCNB-UHFFFAOYSA-N -1 1 400.319 4.086 20 0 HIADMM Cc1cccc([C@@H]2CCCCN2C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1C ZINC000464589743 877815249 /nfs/dbraw/zinc/81/52/49/877815249.db2.gz WGRPWQNZMCISPB-QFIPXVFZSA-N -1 1 416.525 4.053 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(O)c3C)c2)cc1 ZINC000503322542 912301849 /nfs/dbraw/zinc/30/18/49/912301849.db2.gz VZDSXVXGQHDLIS-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)O1 ZINC000464864784 878148362 /nfs/dbraw/zinc/14/83/62/878148362.db2.gz SSQSLKCFUXHRKP-MOPGFXCFSA-N -1 1 402.516 4.000 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCc2c1cccc2Cl ZINC000465045094 878405896 /nfs/dbraw/zinc/40/58/96/878405896.db2.gz YGHRAMJPZHYWBF-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000465048038 878409565 /nfs/dbraw/zinc/40/95/65/878409565.db2.gz NJSYRSXNZPRKII-UHFFFAOYSA-N -1 1 414.937 4.023 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000465291312 878729872 /nfs/dbraw/zinc/72/98/72/878729872.db2.gz MCIWVQNNUNKCMD-QFBILLFUSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000465296171 878738211 /nfs/dbraw/zinc/73/82/11/878738211.db2.gz ROQGZUOCJBENRJ-UZLBHIALSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ncccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000465296825 878739108 /nfs/dbraw/zinc/73/91/08/878739108.db2.gz RLDDDXROOUTQSJ-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000465298676 878742555 /nfs/dbraw/zinc/74/25/55/878742555.db2.gz WWWDJMXULYIEGL-MGPUTAFESA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(F)F)cc1 ZINC000465385503 878826707 /nfs/dbraw/zinc/82/67/07/878826707.db2.gz BDPILXFZJPEHMH-UHFFFAOYSA-N -1 1 410.486 4.088 20 0 HIADMM CC(C)C1CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000465832376 879467083 /nfs/dbraw/zinc/46/70/83/879467083.db2.gz JJZDHHWNCVITTJ-UHFFFAOYSA-N -1 1 415.559 4.065 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000465850720 879493913 /nfs/dbraw/zinc/49/39/13/879493913.db2.gz SVCLVMYZOKIVLG-JOCHJYFZSA-N -1 1 415.559 4.209 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(Oc4ccccn4)c3)cc2F)c1 ZINC000466248404 879965131 /nfs/dbraw/zinc/96/51/31/879965131.db2.gz DUVNDSQYPRKYHH-UHFFFAOYSA-N -1 1 424.457 4.308 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccccc3CC(F)(F)F)cc2F)c1 ZINC000466285669 880027801 /nfs/dbraw/zinc/02/78/01/880027801.db2.gz CXESGGPJPJLNTL-UHFFFAOYSA-N -1 1 413.396 4.225 20 0 HIADMM O=C(N[C@@H]1CCCc2sccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000466507063 880281888 /nfs/dbraw/zinc/28/18/88/880281888.db2.gz VAVYWFBLIXJZHQ-LJQANCHMSA-N -1 1 412.536 4.356 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cccc4cc[nH]c43)cc2)cc1 ZINC000466870322 880637270 /nfs/dbraw/zinc/63/72/70/880637270.db2.gz LPIKGVFJIZECTN-UHFFFAOYSA-N -1 1 419.506 4.207 20 0 HIADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000466954402 880735029 /nfs/dbraw/zinc/73/50/29/880735029.db2.gz JBRITXRDOHNMPW-CQSZACIVSA-N -1 1 411.520 4.154 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3COC(C)(C)CC)cc2oc1=O ZINC000466968014 880764346 /nfs/dbraw/zinc/76/43/46/880764346.db2.gz VEQYBLFBEBQIHA-UHFFFAOYSA-N -1 1 418.515 4.120 20 0 HIADMM CC[C@H]1Oc2cc([C@H](C)Nc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)ccc2NC1=O ZINC000467005300 880813560 /nfs/dbraw/zinc/81/35/60/880813560.db2.gz MTJVBARQPQARCM-KBXCAEBGSA-N -1 1 419.485 4.144 20 0 HIADMM COC(=O)c1sc2[nH]c(C[N@@H+](C3CC3)[C@H]3CCCc4ccccc43)nc(=O)c2c1C ZINC000503546488 912609443 /nfs/dbraw/zinc/60/94/43/912609443.db2.gz JVKBESFMXKWWFW-KRWDZBQOSA-N -1 1 423.538 4.122 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(OCCC(C)C)cc3)cc21 ZINC000467073565 880850883 /nfs/dbraw/zinc/85/08/83/880850883.db2.gz GOVNJAHQGIUYMV-UHFFFAOYSA-N -1 1 416.543 4.211 20 0 HIADMM CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000467081442 880853895 /nfs/dbraw/zinc/85/38/95/880853895.db2.gz ZPSLFOLNDDZFEA-UHFFFAOYSA-N -1 1 416.474 4.059 20 0 HIADMM CCCC[C@@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(=O)Nc1cc(C)on1 ZINC000467201426 880931205 /nfs/dbraw/zinc/93/12/05/880931205.db2.gz MRPRRSFGYHVZDG-MRXNPFEDSA-N -1 1 412.515 4.744 20 0 HIADMM Cc1cccc(OCCNC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000467203144 880932848 /nfs/dbraw/zinc/93/28/48/880932848.db2.gz VHQVFLATXPAFDC-QGZVFWFLSA-N -1 1 423.538 4.142 20 0 HIADMM Cc1c(=O)[n-]c(S[C@@H]2CCN(c3c(F)cccc3F)C2=O)nc1-c1ccccc1 ZINC000467203841 880933216 /nfs/dbraw/zinc/93/32/16/880933216.db2.gz ZIUNSGSTHZTLKR-MRXNPFEDSA-N -1 1 413.449 4.333 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C(F)(F)F)cc2F)c1 ZINC000467401525 881185781 /nfs/dbraw/zinc/18/57/81/881185781.db2.gz ATTCKUMFMAYAKM-UHFFFAOYSA-N -1 1 417.359 4.279 20 0 HIADMM Cc1nc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)ccc1Br ZINC000467443406 881246087 /nfs/dbraw/zinc/24/60/87/881246087.db2.gz RDMWYMBIVHMKJC-UHFFFAOYSA-N -1 1 409.227 4.113 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cncnc2)c1 ZINC000469273677 883372481 /nfs/dbraw/zinc/37/24/81/883372481.db2.gz YFORUWUKBRUFFC-UHFFFAOYSA-N -1 1 424.526 4.136 20 0 HIADMM C[C@H](OCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000469428921 883612631 /nfs/dbraw/zinc/61/26/31/883612631.db2.gz XCGWIUDURWZYLF-KRWDZBQOSA-N -1 1 410.495 4.031 20 0 HIADMM C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000469502233 883749431 /nfs/dbraw/zinc/74/94/31/883749431.db2.gz VOYNPYUZLQTUFR-NVXWUHKLSA-N -1 1 404.507 4.069 20 0 HIADMM Cc1noc(C2CC2)c1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469888181 884079599 /nfs/dbraw/zinc/07/95/99/884079599.db2.gz JISGWISHACBHSF-UHFFFAOYSA-N -1 1 422.666 4.370 20 0 HIADMM COc1cc(NC(=O)NC2CCC3(CCCCC3)CC2)ccc1[N-]S(C)(=O)=O ZINC000470364887 884759517 /nfs/dbraw/zinc/75/95/17/884759517.db2.gz WIZCHXJWFQSAFB-UHFFFAOYSA-N -1 1 409.552 4.081 20 0 HIADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000470371064 884767503 /nfs/dbraw/zinc/76/75/03/884767503.db2.gz CXQJINKTMHSWMM-UHFFFAOYSA-N -1 1 417.450 4.398 20 0 HIADMM Cn1cc(-c2ncc(C(=O)[N-]c3nnc(-c4cc5ccccc5o4)s3)s2)cn1 ZINC000470384806 884786581 /nfs/dbraw/zinc/78/65/81/884786581.db2.gz YXCSYHBYDBLBGQ-UHFFFAOYSA-N -1 1 408.468 4.061 20 0 HIADMM Cc1ccc([C@@H](NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c2cccs2)cc1 ZINC000470450446 884846504 /nfs/dbraw/zinc/84/65/04/884846504.db2.gz ZXZGQBUNMHQCAU-HXUWFJFHSA-N -1 1 411.552 4.427 20 0 HIADMM O=c1cc(C2CC2)nc(SCc2nc(-c3cc(Br)cs3)no2)[n-]1 ZINC000470455907 884851266 /nfs/dbraw/zinc/85/12/66/884851266.db2.gz PGDIIOBAFUWBAH-UHFFFAOYSA-N -1 1 411.306 4.226 20 0 HIADMM O=S(=O)([N-]CC1(c2ccc(F)cc2)CCC1)c1sccc1Br ZINC000503945823 912877011 /nfs/dbraw/zinc/87/70/11/912877011.db2.gz OOFMWLFPHGHDCI-UHFFFAOYSA-N -1 1 404.326 4.050 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000470742835 885206393 /nfs/dbraw/zinc/20/63/93/885206393.db2.gz DTZGZDWGYZNRBV-UHFFFAOYSA-N -1 1 419.312 4.097 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c(Cl)cc1F ZINC000471109397 885644829 /nfs/dbraw/zinc/64/48/29/885644829.db2.gz FDMIKLBFSDTTEU-MRXNPFEDSA-N -1 1 409.870 4.316 20 0 HIADMM COc1ccsc1S(=O)(=O)[N-]c1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000471125057 885663048 /nfs/dbraw/zinc/66/30/48/885663048.db2.gz NQWMVUHHVGELGB-UHFFFAOYSA-N -1 1 421.450 4.379 20 0 HIADMM O=S(=O)([N-]c1cccc(F)c1F)c1cc(Cl)c(Br)cc1F ZINC000471596812 886310967 /nfs/dbraw/zinc/31/09/67/886310967.db2.gz ZLJCDKPTPUHSAV-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM O=S(=O)([N-][C@H](c1cccnc1)C1CC1)c1cc(Cl)c(Br)cc1F ZINC000471657487 886371778 /nfs/dbraw/zinc/37/17/78/886371778.db2.gz YBROCSMBLISYRN-HNNXBMFYSA-N -1 1 419.703 4.066 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)CC3(C)C)c2)cc1 ZINC000471698516 886405785 /nfs/dbraw/zinc/40/57/85/886405785.db2.gz QPOPDNDRVQTXSA-INIZCTEOSA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)CC3(C)C)c2)cc1 ZINC000471720355 886432176 /nfs/dbraw/zinc/43/21/76/886432176.db2.gz IQDYAKYYMVDHHL-MRXNPFEDSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1nc2ccc(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2o1 ZINC000471748408 886477533 /nfs/dbraw/zinc/47/75/33/886477533.db2.gz JRJHOPCMNFDCFI-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3F)n2)cc1F ZINC000471883980 886664630 /nfs/dbraw/zinc/66/46/30/886664630.db2.gz GXKCPBOOWBWQKN-JTQLQIEISA-N -1 1 413.833 4.016 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(-c2ccnc(C)n2)c1 ZINC000471940940 886741492 /nfs/dbraw/zinc/74/14/92/886741492.db2.gz DVUPYNJDWDKFIY-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471947343 886751800 /nfs/dbraw/zinc/75/18/00/886751800.db2.gz RPIZWFKUJSEDBO-QZTJIDSGSA-N -1 1 416.518 4.197 20 0 HIADMM O=C([O-])c1cc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc(Cl)c1Cl ZINC000471972380 886803916 /nfs/dbraw/zinc/80/39/16/886803916.db2.gz ZSNNFTYYUOHOMZ-UHFFFAOYSA-N -1 1 403.218 4.113 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)cc1 ZINC000472177752 886977027 /nfs/dbraw/zinc/97/70/27/886977027.db2.gz RFKZAXLIYCLJAI-OAQYLSRUSA-N -1 1 420.534 4.253 20 0 HIADMM Cc1nc(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)oc1-c1ccc(Cl)cc1 ZINC000472346680 887182661 /nfs/dbraw/zinc/18/26/61/887182661.db2.gz YWAOYNPLCFHADP-UHFFFAOYSA-N -1 1 416.808 4.199 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1F)c1c(Cl)cc(F)cc1Br ZINC000504280831 913135380 /nfs/dbraw/zinc/13/53/80/913135380.db2.gz TXPUMBXWQWXUBW-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c1OC ZINC000472473241 887333751 /nfs/dbraw/zinc/33/37/51/887333751.db2.gz GVFJEKXELOVBIS-UHFFFAOYSA-N -1 1 407.854 4.191 20 0 HIADMM Cc1ncsc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000473281923 888039243 /nfs/dbraw/zinc/03/92/43/888039243.db2.gz GQUKHAYBHZOCNP-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC2(CCC2)C1 ZINC000473334571 888069342 /nfs/dbraw/zinc/06/93/42/888069342.db2.gz KYRUJAVAIZXWIT-UHFFFAOYSA-N -1 1 402.491 4.033 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@H](OCc3ccccc3F)C2)cc(Cl)c1[O-] ZINC000473336993 888070952 /nfs/dbraw/zinc/07/09/52/888070952.db2.gz TVJMUBZALOYGKC-INIZCTEOSA-N -1 1 407.869 4.405 20 0 HIADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000473434850 888154409 /nfs/dbraw/zinc/15/44/09/888154409.db2.gz OILLKGSQZSWPKB-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1ccc(Cl)c(F)c1Cl ZINC000473909169 888785230 /nfs/dbraw/zinc/78/52/30/888785230.db2.gz AFAVLUDSSAHUBY-UHFFFAOYSA-N -1 1 403.306 4.080 20 0 HIADMM O=S(=O)([N-]Cc1cc(-c2ccccc2)no1)c1ccc(Cl)c(F)c1Cl ZINC000473908586 888785580 /nfs/dbraw/zinc/78/55/80/888785580.db2.gz FPGJBASAURDDCC-UHFFFAOYSA-N -1 1 401.246 4.266 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)cc1C(F)(F)F ZINC000504488417 913280404 /nfs/dbraw/zinc/28/04/04/913280404.db2.gz MMGVWQNRUITVCP-UHFFFAOYSA-N -1 1 422.432 4.019 20 0 HIADMM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473952056 888825939 /nfs/dbraw/zinc/82/59/39/888825939.db2.gz VGUKVHVTWUYBER-OCCSQVGLSA-N -1 1 422.280 4.470 20 0 HIADMM CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000474192568 889030009 /nfs/dbraw/zinc/03/00/09/889030009.db2.gz CBRHWVWRKNYVBG-MGPUTAFESA-N -1 1 404.532 4.104 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3CCC(=O)[C@H]3C)ccc2C)c1 ZINC000474199536 889037476 /nfs/dbraw/zinc/03/74/76/889037476.db2.gz QUNWWRBYIYWWSV-DLBZAZTESA-N -1 1 414.527 4.048 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3CCC(=O)[C@@H]3C)ccc2C)c1 ZINC000474199539 889037693 /nfs/dbraw/zinc/03/76/93/889037693.db2.gz QUNWWRBYIYWWSV-SJORKVTESA-N -1 1 414.527 4.048 20 0 HIADMM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)ccc1Cl)c1ccccc1F ZINC000504519939 913304106 /nfs/dbraw/zinc/30/41/06/913304106.db2.gz WRAUEFOUIKAGPX-UHFFFAOYSA-N -1 1 420.897 4.265 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2F)c(F)c1 ZINC000504523562 913305710 /nfs/dbraw/zinc/30/57/10/913305710.db2.gz FDPJJSRSUCTBIX-UHFFFAOYSA-N -1 1 418.469 4.059 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCCCC3)c1C ZINC000504535644 913314656 /nfs/dbraw/zinc/31/46/56/913314656.db2.gz DIYCYJQOAZPOPT-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2C)cc1 ZINC000504535763 913315036 /nfs/dbraw/zinc/31/50/36/913315036.db2.gz GKCMZHSKEMNEKL-UHFFFAOYSA-N -1 1 410.543 4.343 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)COc1ccccc1C(F)(F)F ZINC000474301752 889165635 /nfs/dbraw/zinc/16/56/35/889165635.db2.gz JNPGRXSZMBMYCS-LLVKDONJSA-N -1 1 411.424 4.004 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000474300473 889166165 /nfs/dbraw/zinc/16/61/65/889166165.db2.gz BLXJNVHQXUBDGS-GFCCVEGCSA-N -1 1 420.351 4.302 20 0 HIADMM COc1c(C[N-]S(=O)(=O)c2sc(C)cc2Br)oc2ccccc21 ZINC000474386947 889259131 /nfs/dbraw/zinc/25/91/31/889259131.db2.gz GEOUYLLHZMANGZ-UHFFFAOYSA-N -1 1 416.318 4.052 20 0 HIADMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000504560502 913333633 /nfs/dbraw/zinc/33/36/33/913333633.db2.gz ZPNNAWGBWXMBKX-UHFFFAOYSA-N -1 1 411.531 4.498 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000474531477 889403515 /nfs/dbraw/zinc/40/35/15/889403515.db2.gz SGAWLKFCBBUKFV-UHFFFAOYSA-N -1 1 405.502 4.240 20 0 HIADMM CCCCS[C@H](C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474535446 889408210 /nfs/dbraw/zinc/40/82/10/889408210.db2.gz QLKBNGGQIWIDHS-OAHLLOKOSA-N -1 1 424.563 4.165 20 0 HIADMM C[C@H]1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000474535103 889409183 /nfs/dbraw/zinc/40/91/83/889409183.db2.gz IIOWXXPLBLQVAM-RDJZCZTQSA-N -1 1 404.507 4.069 20 0 HIADMM Cc1ncccc1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000504584460 913346000 /nfs/dbraw/zinc/34/60/00/913346000.db2.gz BQEPFUSTTRTZSP-UHFFFAOYSA-N -1 1 415.902 4.025 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cc(Oc2ccc(F)cc2)ccn1 ZINC000474588931 889458274 /nfs/dbraw/zinc/45/82/74/889458274.db2.gz GMXHYHGHFFQOEN-UHFFFAOYSA-N -1 1 410.449 4.045 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000474611790 889477152 /nfs/dbraw/zinc/47/71/52/889477152.db2.gz JJPBXGBJAPITRP-UHFFFAOYSA-N -1 1 405.951 4.498 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000474621466 889486157 /nfs/dbraw/zinc/48/61/57/889486157.db2.gz IGFISTQGUHAUSX-UHFFFAOYSA-N -1 1 403.389 4.028 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000474648377 889510332 /nfs/dbraw/zinc/51/03/32/889510332.db2.gz PQXQWNPLQKYTSC-UHFFFAOYSA-N -1 1 423.488 4.436 20 0 HIADMM CCOC(=O)[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)c1cccc(C)c1C ZINC000474790669 889647215 /nfs/dbraw/zinc/64/72/15/889647215.db2.gz DRDDBWKPZWPXDU-GOSISDBHSA-N -1 1 405.878 4.095 20 0 HIADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474830711 889688570 /nfs/dbraw/zinc/68/85/70/889688570.db2.gz GYSPNFHABIPUTH-IXDOHACOSA-N -1 1 401.532 4.386 20 0 HIADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000474895738 889753402 /nfs/dbraw/zinc/75/34/02/889753402.db2.gz IHGNLFPMTVFDSU-APWZRJJASA-N -1 1 402.516 4.021 20 0 HIADMM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c3ccccc3)c1)O2 ZINC000474896629 889755758 /nfs/dbraw/zinc/75/57/58/889755758.db2.gz LKXXRYBNCLWJDK-QFIPXVFZSA-N -1 1 422.506 4.128 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(Cc3ccc(F)cc3)no2)c1)c1ccccc1 ZINC000504644585 913390878 /nfs/dbraw/zinc/39/08/78/913390878.db2.gz PSFFHXGRMMPKCD-UHFFFAOYSA-N -1 1 409.442 4.267 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000504726035 913461680 /nfs/dbraw/zinc/46/16/80/913461680.db2.gz OZHQNTYJLPSAEP-UHFFFAOYSA-N -1 1 416.485 4.055 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c(Br)c1 ZINC000475786149 890726982 /nfs/dbraw/zinc/72/69/82/890726982.db2.gz LCDMEKRCXPALOV-UHFFFAOYSA-N -1 1 414.321 4.184 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC000475797267 890734486 /nfs/dbraw/zinc/73/44/86/890734486.db2.gz NQJNPPCABTVHKI-UHFFFAOYSA-N -1 1 410.211 4.277 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)c2ccccc12 ZINC000475824712 890760025 /nfs/dbraw/zinc/76/00/25/890760025.db2.gz BXHZZKIFAYWBTP-UHFFFAOYSA-N -1 1 413.499 4.051 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000475835693 890768333 /nfs/dbraw/zinc/76/83/33/890768333.db2.gz KKPVZTIVXOKBIL-UHFFFAOYSA-N -1 1 407.518 4.002 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000475837318 890769596 /nfs/dbraw/zinc/76/95/96/890769596.db2.gz VUSNIIYQIZJEPF-UHFFFAOYSA-N -1 1 411.348 4.254 20 0 HIADMM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000476036768 890969205 /nfs/dbraw/zinc/96/92/05/890969205.db2.gz VCFUCZAXPWOKBK-UHFFFAOYSA-N -1 1 413.499 4.235 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@H](c2ccccc2)C1 ZINC000476147033 891071741 /nfs/dbraw/zinc/07/17/41/891071741.db2.gz JPOKVMJLLPRGQF-IBGZPJMESA-N -1 1 424.497 4.256 20 0 HIADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1csc(-c2cnccn2)n1 ZINC000476183028 891115154 /nfs/dbraw/zinc/11/51/54/891115154.db2.gz ZURVFOAKDMODRL-UHFFFAOYSA-N -1 1 400.876 4.024 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC(c4ccccc4)C3)c2)cc1 ZINC000476204689 891135401 /nfs/dbraw/zinc/13/54/01/891135401.db2.gz OIJXITZPOXQWDU-UHFFFAOYSA-N -1 1 420.534 4.472 20 0 HIADMM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000476262927 891184754 /nfs/dbraw/zinc/18/47/54/891184754.db2.gz RQDDGVFLKMDBDD-UHFFFAOYSA-N -1 1 408.676 4.359 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2C)c1 ZINC000476291709 891206766 /nfs/dbraw/zinc/20/67/66/891206766.db2.gz WYXPFWVOWJCHHN-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000476375755 891290030 /nfs/dbraw/zinc/29/00/30/891290030.db2.gz DJKCBTZBBCAGHA-DENIHFKCSA-N -1 1 416.525 4.013 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000476392233 891307797 /nfs/dbraw/zinc/30/77/97/891307797.db2.gz MZYVYQBMVTZRNI-SANMLTNESA-N -1 1 403.500 4.243 20 0 HIADMM Cc1c(COc2ccccc2)cccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000476400659 891316312 /nfs/dbraw/zinc/31/63/12/891316312.db2.gz YBGQJRFJZKLVMA-UHFFFAOYSA-N -1 1 410.451 4.222 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(F)c1)c1ccc2ncccc2c1 ZINC000476416308 891329549 /nfs/dbraw/zinc/32/95/49/891329549.db2.gz SCRKEZKCTVJMPL-UHFFFAOYSA-N -1 1 409.442 4.149 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)ccc1Br ZINC000476425491 891336545 /nfs/dbraw/zinc/33/65/45/891336545.db2.gz CJTCRMXFPHGPBC-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@H](C)[C@@H]3C)cc2)cc1 ZINC000476567676 891487220 /nfs/dbraw/zinc/48/72/20/891487220.db2.gz GKHBKYHQAWFGSB-IKGGRYGDSA-N -1 1 416.543 4.003 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3n[nH]c4ccc(F)cc43)cc2)cc1 ZINC000476577572 891499101 /nfs/dbraw/zinc/49/91/01/891499101.db2.gz IYSCPBNNAAALCI-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)c1 ZINC000476649113 891589119 /nfs/dbraw/zinc/58/91/19/891589119.db2.gz QIZBOKHZQGJUPR-UHFFFAOYSA-N -1 1 405.241 4.095 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@H](C)C3)cc2)cc1 ZINC000476847859 891820188 /nfs/dbraw/zinc/82/01/88/891820188.db2.gz MDAWEDOJTAKACB-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000504895118 913625395 /nfs/dbraw/zinc/62/53/95/913625395.db2.gz MJCGOAWOPFIRMP-NSHDSACASA-N -1 1 421.328 4.039 20 0 HIADMM O=S(=O)([N-][C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(F)c(F)c1F ZINC000477291775 892253040 /nfs/dbraw/zinc/25/30/40/892253040.db2.gz RISIJGAVSQJFKV-ZDUSSCGKSA-N -1 1 407.360 4.061 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1cnn(-c2ccccc2)c1 ZINC000477424582 892376672 /nfs/dbraw/zinc/37/66/72/892376672.db2.gz YIXWZXSQNOMAHR-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nc(CCc3ccccc3)no2)cc1 ZINC000504968076 913707884 /nfs/dbraw/zinc/70/78/84/913707884.db2.gz BUGNSYXOPXLAGI-UHFFFAOYSA-N -1 1 423.469 4.462 20 0 HIADMM CC(C)c1ccc([C@H](NC(=O)CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C(C)C)cc1 ZINC000477870306 892930175 /nfs/dbraw/zinc/93/01/75/892930175.db2.gz ZLDIBACKUGPGPF-CUDBPUKSSA-N -1 1 400.563 4.341 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(C4CCCC4)C3)cc2)c1C ZINC000477885604 892951201 /nfs/dbraw/zinc/95/12/01/892951201.db2.gz INJAIKARNRVAES-UHFFFAOYSA-N -1 1 412.555 4.366 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000504984532 913730992 /nfs/dbraw/zinc/73/09/92/913730992.db2.gz FSFJDNHNTQEINU-UHFFFAOYSA-N -1 1 407.557 4.407 20 0 HIADMM COc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1F ZINC000478052792 893202953 /nfs/dbraw/zinc/20/29/53/893202953.db2.gz IEIFSRMBROALKV-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CC[C@H](C)c1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cn1 ZINC000478283402 893490727 /nfs/dbraw/zinc/49/07/27/893490727.db2.gz GTQSBCWUTOCSQT-HNNXBMFYSA-N -1 1 424.526 4.352 20 0 HIADMM CC[C@@H](C)c1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cn1 ZINC000478284515 893490810 /nfs/dbraw/zinc/49/08/10/893490810.db2.gz UVTZIHJTJSRVLE-OAHLLOKOSA-N -1 1 410.499 4.043 20 0 HIADMM O=C(CCOCc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478427774 893723380 /nfs/dbraw/zinc/72/33/80/893723380.db2.gz AXDXTJHMIYYLCV-UHFFFAOYSA-N -1 1 410.495 4.033 20 0 HIADMM COc1ccc(F)cc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478453987 893772597 /nfs/dbraw/zinc/77/25/97/893772597.db2.gz UPQHKZVFWXPHEW-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000478490986 893810244 /nfs/dbraw/zinc/81/02/44/893810244.db2.gz ZZZKFTBYQJEVKJ-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(NCCc1cccc(OCC(F)(F)F)c1)c1ccc(Br)c([O-])c1 ZINC000478521384 893827790 /nfs/dbraw/zinc/82/77/90/893827790.db2.gz JABNYRNVJDFSPV-UHFFFAOYSA-N -1 1 418.209 4.068 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(-c2ccccc2)[nH]n1 ZINC000478564648 893851798 /nfs/dbraw/zinc/85/17/98/893851798.db2.gz TUHCPXICTKPBCA-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM C[C@H](CN(C)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)c1nn[n-]n1 ZINC000478586836 893861456 /nfs/dbraw/zinc/86/14/56/893861456.db2.gz QROSSUIOPUYIDW-GFCCVEGCSA-N -1 1 419.316 4.055 20 0 HIADMM C[C@@H](CN(C)C(=O)c1c(Cl)cccc1Oc1ccccc1Cl)c1nn[n-]n1 ZINC000478599511 893867186 /nfs/dbraw/zinc/86/71/86/893867186.db2.gz VXTMVMFVLLACSV-NSHDSACASA-N -1 1 406.273 4.175 20 0 HIADMM CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c2C1 ZINC000478605081 893870881 /nfs/dbraw/zinc/87/08/81/893870881.db2.gz YYQAOVZPYAOGDN-HOTGVXAUSA-N -1 1 420.561 4.165 20 0 HIADMM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cnc(-c2ccco2)s1 ZINC000505116290 913825232 /nfs/dbraw/zinc/82/52/32/913825232.db2.gz YPYQBYGVNJMCTN-UHFFFAOYSA-N -1 1 416.260 4.203 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(NC(C)C)nc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000478744288 894019681 /nfs/dbraw/zinc/01/96/81/894019681.db2.gz IBWUEPBHQGBHON-UHFFFAOYSA-N -1 1 424.526 4.263 20 0 HIADMM Cn1cc(-c2nc(C(=O)[N-]c3nnc(-c4c(F)cccc4Cl)s3)cs2)cn1 ZINC000478786983 894063055 /nfs/dbraw/zinc/06/30/55/894063055.db2.gz DWFHSJISXGFXLW-UHFFFAOYSA-N -1 1 420.882 4.107 20 0 HIADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000478854908 894134730 /nfs/dbraw/zinc/13/47/30/894134730.db2.gz LIBORVVTRAPJEQ-PUHATCMVSA-N -1 1 406.526 4.177 20 0 HIADMM Cc1c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)oc2c1C(=O)CCC2 ZINC000479042753 894304011 /nfs/dbraw/zinc/30/40/11/894304011.db2.gz UDEARUUIDLLZIG-UHFFFAOYSA-N -1 1 424.478 4.160 20 0 HIADMM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479058176 894318182 /nfs/dbraw/zinc/31/81/82/894318182.db2.gz IXVRSYMWPBSWQQ-UHFFFAOYSA-N -1 1 412.540 4.465 20 0 HIADMM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)c1ccccc1Br ZINC000479112621 894380302 /nfs/dbraw/zinc/38/03/02/894380302.db2.gz ALVMOEXEPXHYEM-CYBMUJFWSA-N -1 1 412.202 4.170 20 0 HIADMM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000479113276 894380721 /nfs/dbraw/zinc/38/07/21/894380721.db2.gz BPQKNBWEQCZYKI-UHFFFAOYSA-N -1 1 404.904 4.449 20 0 HIADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(-c3ncc(C(C)C)o3)cc1)OCO2 ZINC000479240103 894503175 /nfs/dbraw/zinc/50/31/75/894503175.db2.gz GJJKECHZIQTBEL-UHFFFAOYSA-N -1 1 400.456 4.303 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1Cl ZINC000479251339 894516742 /nfs/dbraw/zinc/51/67/42/894516742.db2.gz IWIRQGHFXUPWRD-UHFFFAOYSA-N -1 1 401.875 4.161 20 0 HIADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1COCc1ccccc1)OCO2 ZINC000479266118 894536712 /nfs/dbraw/zinc/53/67/12/894536712.db2.gz MDZZYDHTBHCKPU-UHFFFAOYSA-N -1 1 411.479 4.241 20 0 HIADMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cnn(-c4ccccc4F)c3)cc2s1 ZINC000479279944 894556661 /nfs/dbraw/zinc/55/66/61/894556661.db2.gz LAWRTDZNNISVHQ-UHFFFAOYSA-N -1 1 422.894 4.384 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@@H]3CC)cc2)cc1 ZINC000479406623 894713380 /nfs/dbraw/zinc/71/33/80/894713380.db2.gz JHRNXNFHISKOHX-KKSFZXQISA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000479412312 894719047 /nfs/dbraw/zinc/71/90/47/894719047.db2.gz OYVZQXMTQDCKRL-VBKZILBWSA-N -1 1 404.507 4.196 20 0 HIADMM CC[C@H]1[C@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000479421525 894733131 /nfs/dbraw/zinc/73/31/31/894733131.db2.gz YBTDOWRMZJHSAE-YJYMSZOUSA-N -1 1 408.470 4.026 20 0 HIADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000479427770 894741321 /nfs/dbraw/zinc/74/13/21/894741321.db2.gz SQNBMFXVLUWCJP-KKSFZXQISA-N -1 1 400.544 4.365 20 0 HIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479484878 894807107 /nfs/dbraw/zinc/80/71/07/894807107.db2.gz DSZBSBHSEMJULM-UHFFFAOYSA-N -1 1 403.529 4.016 20 0 HIADMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)cc1 ZINC000479494344 894814249 /nfs/dbraw/zinc/81/42/49/894814249.db2.gz GEQWBZDZJYCXMB-QHCPKHFHSA-N -1 1 424.341 4.141 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1)c1cccs1 ZINC000479512410 894825990 /nfs/dbraw/zinc/82/59/90/894825990.db2.gz KYYFSEXLWSOHBX-UHFFFAOYSA-N -1 1 415.521 4.411 20 0 HIADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000505275847 913934545 /nfs/dbraw/zinc/93/45/45/913934545.db2.gz XROQRUMDORBMRE-UHFFFAOYSA-N -1 1 423.796 4.089 20 0 HIADMM CC[C@H](C)n1nc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1C ZINC000479839415 895165550 /nfs/dbraw/zinc/16/55/50/895165550.db2.gz OIKDDGUKQNOSRX-HNNXBMFYSA-N -1 1 412.515 4.216 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c(=O)[n-]1 ZINC000480050700 895399186 /nfs/dbraw/zinc/39/91/86/895399186.db2.gz YVKQFMGMNQAYGM-UHFFFAOYSA-N -1 1 416.547 4.077 20 0 HIADMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)sn1 ZINC000480093384 895457278 /nfs/dbraw/zinc/45/72/78/895457278.db2.gz YROGSKBJZWWWGS-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)cc1F ZINC000480191295 895588655 /nfs/dbraw/zinc/58/86/55/895588655.db2.gz NXEFYYZBXJHGFQ-UHFFFAOYSA-N -1 1 406.248 4.154 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1)c1ccoc1 ZINC000480212846 895615649 /nfs/dbraw/zinc/61/56/49/895615649.db2.gz ZYZHYJHYOIMFNA-UHFFFAOYSA-N -1 1 424.400 4.438 20 0 HIADMM CC(C)[C@H]1N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1(C)C ZINC000480299967 895706229 /nfs/dbraw/zinc/70/62/29/895706229.db2.gz LHGMLWYTBYMISG-LJQANCHMSA-N -1 1 422.497 4.272 20 0 HIADMM Cc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000480813707 896184541 /nfs/dbraw/zinc/18/45/41/896184541.db2.gz QKNZSFRNFLTEEY-UHFFFAOYSA-N -1 1 424.526 4.360 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccnn1C1CCCC1 ZINC000480823264 896197475 /nfs/dbraw/zinc/19/74/75/896197475.db2.gz ZQKICPIKBZSKDC-UHFFFAOYSA-N -1 1 410.499 4.051 20 0 HIADMM CCS[C@H]1CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000481002219 896333278 /nfs/dbraw/zinc/33/32/78/896333278.db2.gz IAAUBQHOJNWBLV-MOPGFXCFSA-N -1 1 422.547 4.031 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC[C@@H]3C(F)F)c2)c1 ZINC000505406821 914072281 /nfs/dbraw/zinc/07/22/81/914072281.db2.gz ZBDHIVLQMVJFDW-GOSISDBHSA-N -1 1 422.497 4.364 20 0 HIADMM O=C(N[C@H]1CCCc2c(O)cccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000481203103 896556490 /nfs/dbraw/zinc/55/64/90/896556490.db2.gz SRUYPUHGYSLOEV-NRFANRHFSA-N -1 1 422.506 4.000 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]3C(F)F)cc2)cc1C ZINC000505436998 914102216 /nfs/dbraw/zinc/10/22/16/914102216.db2.gz UCOAOCRDOFHCNT-IBGZPJMESA-N -1 1 422.497 4.364 20 0 HIADMM Cc1c([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)cnn1-c1ccc(F)cc1 ZINC000481594650 896973363 /nfs/dbraw/zinc/97/33/63/896973363.db2.gz HMEUGSZDXICVQR-LLVKDONJSA-N -1 1 418.266 4.279 20 0 HIADMM COCc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000481906415 897287636 /nfs/dbraw/zinc/28/76/36/897287636.db2.gz JIGNYGKUGRQXNO-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM Cn1cc(-c2ncc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccco3)s2)cn1 ZINC000481918183 897302400 /nfs/dbraw/zinc/30/24/00/897302400.db2.gz DMBMCGPLKVSASE-UHFFFAOYSA-N -1 1 418.434 4.366 20 0 HIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000481962555 897352119 /nfs/dbraw/zinc/35/21/19/897352119.db2.gz JVPCWJHADPKNAO-UHFFFAOYSA-N -1 1 415.478 4.282 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1Cl ZINC000481975275 897367205 /nfs/dbraw/zinc/36/72/05/897367205.db2.gz VEEMKMGJAHLBBW-UHFFFAOYSA-N -1 1 406.813 4.204 20 0 HIADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000482229403 897709345 /nfs/dbraw/zinc/70/93/45/897709345.db2.gz NOPOFYLRNVPRMI-IEBWSBKVSA-N -1 1 418.584 4.282 20 0 HIADMM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000482259637 897743380 /nfs/dbraw/zinc/74/33/80/897743380.db2.gz NRQLNBQDPDNNMP-RBUKOAKNSA-N -1 1 418.584 4.282 20 0 HIADMM COc1ccc(C(=O)CCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1F ZINC000482610870 898211849 /nfs/dbraw/zinc/21/18/49/898211849.db2.gz WPYGBYRUHVLOTI-UHFFFAOYSA-N -1 1 410.239 4.212 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000482643864 898247302 /nfs/dbraw/zinc/24/73/02/898247302.db2.gz WTNUFDDOCRDCOS-UHFFFAOYSA-N -1 1 407.289 4.150 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)c1 ZINC000482708131 898307986 /nfs/dbraw/zinc/30/79/86/898307986.db2.gz MHQZYLAAOZBWTP-QGZVFWFLSA-N -1 1 421.360 4.192 20 0 HIADMM CCCNC(=O)Nc1ccc(CC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482715958 898316256 /nfs/dbraw/zinc/31/62/56/898316256.db2.gz ZRZHXXVMEAQAOX-UHFFFAOYSA-N -1 1 420.307 4.176 20 0 HIADMM CCc1ccnc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)c1 ZINC000482745705 898351082 /nfs/dbraw/zinc/35/10/82/898351082.db2.gz WEWTZHVNMBSVFR-UHFFFAOYSA-N -1 1 406.467 4.162 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccn(C(C)C)n3)cc2)cc1C ZINC000482805456 898416438 /nfs/dbraw/zinc/41/64/38/898416438.db2.gz VWLVRZSSFNJABQ-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2csc3ccccc23)ccc1OCCCC(=O)[O-] ZINC000484085525 899719068 /nfs/dbraw/zinc/71/90/68/899719068.db2.gz XRYBLQUPANIJRK-UHFFFAOYSA-N -1 1 405.497 4.254 20 0 HIADMM CCc1ccccc1N(C(C)=O)c1nc(CSc2nc(C(=O)OC)c[n-]2)cs1 ZINC000484578195 900045340 /nfs/dbraw/zinc/04/53/40/900045340.db2.gz WFIDTEZRZDNQEY-UHFFFAOYSA-N -1 1 416.528 4.192 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000484630990 900082101 /nfs/dbraw/zinc/08/21/01/900082101.db2.gz QUXCSEINKQESHJ-UHFFFAOYSA-N -1 1 414.458 4.025 20 0 HIADMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)c2)n[nH]1 ZINC000484640440 900088290 /nfs/dbraw/zinc/08/82/90/900088290.db2.gz OURCVFMSIUJFCH-UHFFFAOYSA-N -1 1 410.421 4.217 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(OCc2cccc(F)c2)c1 ZINC000484662030 900106210 /nfs/dbraw/zinc/10/62/10/900106210.db2.gz FMTNIPCYABIODT-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc(F)c(F)c(F)c1 ZINC000484847417 900244293 /nfs/dbraw/zinc/24/42/93/900244293.db2.gz MHTYZKPCTYOIMC-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM CCOc1ccc(-c2nc(C(=O)[N-]c3nnc(CC(F)(F)F)s3)cs2)cc1 ZINC000484970596 900329720 /nfs/dbraw/zinc/32/97/20/900329720.db2.gz GTPOAJNPXCVQTJ-UHFFFAOYSA-N -1 1 414.434 4.417 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000505784201 914450562 /nfs/dbraw/zinc/45/05/62/914450562.db2.gz PBJMHLDRJQJINY-KGLIPLIRSA-N -1 1 412.433 4.405 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000485392593 900688995 /nfs/dbraw/zinc/68/89/95/900688995.db2.gz VBLKVBCLWJFOKP-UHFFFAOYSA-N -1 1 404.507 4.115 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000485397528 900693766 /nfs/dbraw/zinc/69/37/66/900693766.db2.gz ALLPWUDUXOYETE-UHFFFAOYSA-N -1 1 405.426 4.310 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485396354 900693947 /nfs/dbraw/zinc/69/39/47/900693947.db2.gz LCOUPOKLVGUZQB-CQSZACIVSA-N -1 1 418.534 4.424 20 0 HIADMM CCCc1nc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000485584403 900849033 /nfs/dbraw/zinc/84/90/33/900849033.db2.gz OFCYQIUVASKCEY-UHFFFAOYSA-N -1 1 415.540 4.457 20 0 HIADMM O=S(=O)([N-]C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Br)s1 ZINC000485937284 901159234 /nfs/dbraw/zinc/15/92/34/901159234.db2.gz CGRBVOBVXQCNAV-JTQLQIEISA-N -1 1 414.268 4.135 20 0 HIADMM CN(C)Cc1cnc(/C=C\c2cc(C(=O)[O-])nc(-c3ccc(Cl)cc3)n2)s1 ZINC000486201035 901386427 /nfs/dbraw/zinc/38/64/27/901386427.db2.gz YJNRJALWJBHQHZ-FPLPWBNLSA-N -1 1 400.891 4.184 20 0 HIADMM CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H](C)c1cccnc1 ZINC000486465692 901626040 /nfs/dbraw/zinc/62/60/40/901626040.db2.gz XVDIZGRKFPHLMR-LBPRGKRZSA-N -1 1 400.276 4.321 20 0 HIADMM Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)cc1 ZINC000486532284 901683315 /nfs/dbraw/zinc/68/33/15/901683315.db2.gz JGMFKRPBBPUKMZ-UHFFFAOYSA-N -1 1 402.288 4.198 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c2cccnc12 ZINC000486613460 901749322 /nfs/dbraw/zinc/74/93/22/901749322.db2.gz YSSCFMAHCBVYIT-UHFFFAOYSA-N -1 1 414.817 4.299 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1ccc(Br)cc1C(F)(F)F ZINC000486685708 901795977 /nfs/dbraw/zinc/79/59/77/901795977.db2.gz VQXWTYFMVGNJQY-SECBINFHSA-N -1 1 422.213 4.324 20 0 HIADMM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c2C1 ZINC000486823826 901876420 /nfs/dbraw/zinc/87/64/20/901876420.db2.gz NEVDKASMQKQXAH-UHFFFAOYSA-N -1 1 421.522 4.178 20 0 HIADMM COc1ccccc1C(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000487259055 902122474 /nfs/dbraw/zinc/12/24/74/902122474.db2.gz HXMBTXJYDOYYGR-UHFFFAOYSA-N -1 1 424.522 4.161 20 0 HIADMM Cc1ccccc1[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C1CC1 ZINC000487754021 902343180 /nfs/dbraw/zinc/34/31/80/902343180.db2.gz NTVMAORMPCNGCL-QFIPXVFZSA-N -1 1 402.498 4.061 20 0 HIADMM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)sn1 ZINC000487972550 902497827 /nfs/dbraw/zinc/49/78/27/902497827.db2.gz QFOJRIVCJWUFSY-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)ccc2N1 ZINC000488297725 902759201 /nfs/dbraw/zinc/75/92/01/902759201.db2.gz PVZLMNXLJBJZOE-UHFFFAOYSA-N -1 1 404.797 4.044 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000488400685 902808659 /nfs/dbraw/zinc/80/86/59/902808659.db2.gz SYQVXSGYYCOMHY-NRFANRHFSA-N -1 1 424.570 4.002 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000488468509 902841287 /nfs/dbraw/zinc/84/12/87/902841287.db2.gz XZTIPTQUGMPTPS-OAQYLSRUSA-N -1 1 424.570 4.002 20 0 HIADMM CC(C)CN(CC(C)C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000489675522 903537386 /nfs/dbraw/zinc/53/73/86/903537386.db2.gz GRQWHYMTQHRAAY-UHFFFAOYSA-N -1 1 406.523 4.381 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc([C@@H]4C[C@H]4C)[nH]n3)cc2)cc1C ZINC000490258335 903857659 /nfs/dbraw/zinc/85/76/59/903857659.db2.gz LUMYOQWVOACLQT-DNVCBOLYSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc([C@@H]4C[C@@H]4C)[nH]n3)cc2)cc1C ZINC000490258338 903857796 /nfs/dbraw/zinc/85/77/96/903857796.db2.gz LUMYOQWVOACLQT-HNAYVOBHSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1nc(S(=O)(=O)[C@H](C)c2nc(-c3ccccc3C)no2)[nH]c1-c1ccccc1 ZINC000490423790 903999975 /nfs/dbraw/zinc/99/99/75/903999975.db2.gz RDEFCBSLQHJOIV-OAHLLOKOSA-N -1 1 408.483 4.278 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@H](C)c2nc(-c3ccccc3C)no2)nc1-c1ccccc1 ZINC000490423790 903999986 /nfs/dbraw/zinc/99/99/86/903999986.db2.gz RDEFCBSLQHJOIV-OAHLLOKOSA-N -1 1 408.483 4.278 20 0 HIADMM COC(=O)C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1cccc2ccccc21 ZINC000490488683 904041204 /nfs/dbraw/zinc/04/12/04/904041204.db2.gz PUEMJWXMPJUVJJ-GOSISDBHSA-N -1 1 413.857 4.242 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)c1 ZINC000490563617 904101856 /nfs/dbraw/zinc/10/18/56/904101856.db2.gz GJPREUYURABHRF-UHFFFAOYSA-N -1 1 412.392 4.460 20 0 HIADMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])c(C)o1 ZINC000490694243 904175999 /nfs/dbraw/zinc/17/59/99/904175999.db2.gz GHOJUPHUGCAVKL-UHFFFAOYSA-N -1 1 420.874 4.309 20 0 HIADMM CC[C@H](c1ccccc1OC)N(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000490920183 904318475 /nfs/dbraw/zinc/31/84/75/904318475.db2.gz RCUNCCFTKBDFEB-HXUWFJFHSA-N -1 1 420.513 4.104 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cccc(F)c32)cc1 ZINC000491003560 904362551 /nfs/dbraw/zinc/36/25/51/904362551.db2.gz PNLJLBLHNBWBHT-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)c([O-])c1 ZINC000491060948 904404865 /nfs/dbraw/zinc/40/48/65/904404865.db2.gz LSFSZYRKWUGISY-UHFFFAOYSA-N -1 1 411.053 4.046 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)cc(Cl)c1[O-] ZINC000491085701 904421121 /nfs/dbraw/zinc/42/11/21/904421121.db2.gz ISNOBDLXCQELFK-UHFFFAOYSA-N -1 1 423.918 4.331 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4cccc(F)c43)c2)cc1 ZINC000491188941 904473913 /nfs/dbraw/zinc/47/39/13/904473913.db2.gz RXTMIQXKQJFZJE-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCC2CCCC2)c1 ZINC000491533012 904640711 /nfs/dbraw/zinc/64/07/11/904640711.db2.gz WTQGGUZTQMMCTE-UHFFFAOYSA-N -1 1 404.507 4.245 20 0 HIADMM CC(C)c1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)no1 ZINC000492128092 904803151 /nfs/dbraw/zinc/80/31/51/904803151.db2.gz QQNPVFMKCZBKLR-UHFFFAOYSA-N -1 1 421.425 4.129 20 0 HIADMM COc1ccc(-c2nc(C)c([C@H](C)[N-]S(=O)(=O)c3c(F)cccc3F)s2)cc1 ZINC000506251807 914863902 /nfs/dbraw/zinc/86/39/02/914863902.db2.gz AQDHNBKQBPQFCX-LBPRGKRZSA-N -1 1 424.494 4.445 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@H]2CCC2CCCC2)cc1[N-]S(C)(=O)=O ZINC000494181405 905516631 /nfs/dbraw/zinc/51/66/31/905516631.db2.gz BJOABKIIGRMLRD-KRWDZBQOSA-N -1 1 409.552 4.033 20 0 HIADMM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000494248069 905574836 /nfs/dbraw/zinc/57/48/36/905574836.db2.gz OWSJGXMBJOJGLK-NRFANRHFSA-N -1 1 420.513 4.104 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC(C)(C)C3)cc2)ccc1F ZINC000494422969 905710643 /nfs/dbraw/zinc/71/06/43/905710643.db2.gz REEWBFRFSHIATB-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CCC(CC)N(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000494834945 906027073 /nfs/dbraw/zinc/02/70/73/906027073.db2.gz IKNFWGYRVFEKMU-UHFFFAOYSA-N -1 1 410.486 4.416 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000496633582 906725583 /nfs/dbraw/zinc/72/55/83/906725583.db2.gz UBLTUIYFWMNCJZ-UHFFFAOYSA-N -1 1 420.531 4.231 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000496667784 906730962 /nfs/dbraw/zinc/73/09/62/906730962.db2.gz AMCWWXFKKBVYJE-GOSISDBHSA-N -1 1 422.916 4.155 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000496864580 906768622 /nfs/dbraw/zinc/76/86/22/906768622.db2.gz MXNYVRRTJZDTHS-INIZCTEOSA-N -1 1 408.267 4.115 20 0 HIADMM C[C@@H](CC1CC1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000497112662 906806505 /nfs/dbraw/zinc/80/65/05/906806505.db2.gz FLQHFKVMLWJEGH-LBPRGKRZSA-N -1 1 410.898 4.198 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)c(C)c1 ZINC000497232647 906823654 /nfs/dbraw/zinc/82/36/54/906823654.db2.gz UQXCICTYLCJWMA-UHFFFAOYSA-N -1 1 412.467 4.078 20 0 HIADMM CC[C@H](C)Oc1cccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000497633139 907115346 /nfs/dbraw/zinc/11/53/46/907115346.db2.gz KURHIXXOLCDIAW-HNNXBMFYSA-N -1 1 406.486 4.301 20 0 HIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000512737447 921299427 /nfs/dbraw/zinc/29/94/27/921299427.db2.gz CSRFILUREWQBJS-UHFFFAOYSA-N -1 1 410.495 4.156 20 0 HIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000497741500 907236748 /nfs/dbraw/zinc/23/67/48/907236748.db2.gz DENWKKYZSBPQOR-UHFFFAOYSA-N -1 1 424.913 4.206 20 0 HIADMM Cn1ccnc1SCc1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)o1 ZINC000497988281 907466997 /nfs/dbraw/zinc/46/69/97/907466997.db2.gz JVAOWGUXCJQMHA-UHFFFAOYSA-N -1 1 403.514 4.138 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1C ZINC000498276914 907812125 /nfs/dbraw/zinc/81/21/25/907812125.db2.gz PXZTVTJPZKYXQI-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM CCc1nc(C(=O)[N-]c2nnc(C(CC)CC)s2)nn1-c1ccccc1Cl ZINC000498296335 907825791 /nfs/dbraw/zinc/82/57/91/907825791.db2.gz OWOFYTSFWOUONQ-UHFFFAOYSA-N -1 1 404.927 4.491 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)cc1C ZINC000498424524 907895214 /nfs/dbraw/zinc/89/52/14/907895214.db2.gz HQHZFYZWZMOBKE-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM CC[C@@H](C)Sc1ccc(NS(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c(C)c1 ZINC000498426231 907896141 /nfs/dbraw/zinc/89/61/41/907896141.db2.gz QXUMXXXRVYVEQY-CQSZACIVSA-N -1 1 423.556 4.322 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1)N1CCc2ccccc21 ZINC000498435986 907902970 /nfs/dbraw/zinc/90/29/70/907902970.db2.gz YWZUKGAJSBOFQY-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000498830418 908239397 /nfs/dbraw/zinc/23/93/97/908239397.db2.gz DDISTTVNDJZFCN-UHFFFAOYSA-N -1 1 424.476 4.440 20 0 HIADMM Cc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1OCC1CCOCC1 ZINC000498925382 908333960 /nfs/dbraw/zinc/33/39/60/908333960.db2.gz AIGWPFSONNOARM-UHFFFAOYSA-N -1 1 419.481 4.007 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCc2c1c(F)ccc2F ZINC000498930067 908338520 /nfs/dbraw/zinc/33/85/20/908338520.db2.gz PITCEHHYXCNXFS-UHFFFAOYSA-N -1 1 405.198 4.184 20 0 HIADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000499173409 908526124 /nfs/dbraw/zinc/52/61/24/908526124.db2.gz HTQYPXOUVNGOGH-UHFFFAOYSA-N -1 1 411.266 4.129 20 0 HIADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000499563837 908842160 /nfs/dbraw/zinc/84/21/60/908842160.db2.gz QYQWHAACPXXKON-CQSZACIVSA-N -1 1 402.447 4.053 20 0 HIADMM CCN(CCc1cccs1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000499628797 908861213 /nfs/dbraw/zinc/86/12/13/908861213.db2.gz ATALIIJCNCJVLE-UHFFFAOYSA-N -1 1 414.552 4.254 20 0 HIADMM CCCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000499669119 908871802 /nfs/dbraw/zinc/87/18/02/908871802.db2.gz NCKJHPOYPRSXNL-UHFFFAOYSA-N -1 1 414.449 4.378 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000499712168 908885493 /nfs/dbraw/zinc/88/54/93/908885493.db2.gz HBQAHCBHSVAEIZ-INIZCTEOSA-N -1 1 419.312 4.095 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3CC(C)C)c2)cc1 ZINC000500171823 909658745 /nfs/dbraw/zinc/65/87/45/909658745.db2.gz LKIGZTZZNQDXJQ-IBGZPJMESA-N -1 1 416.543 4.147 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCSCC2)cc1C ZINC000500355991 909810133 /nfs/dbraw/zinc/81/01/33/909810133.db2.gz AVHSSIVUVXKCPY-UHFFFAOYSA-N -1 1 412.964 4.011 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C(C)C)c2ccccc12 ZINC000500824707 910103236 /nfs/dbraw/zinc/10/32/36/910103236.db2.gz UWVREFYTVLWEKS-UHFFFAOYSA-N -1 1 411.527 4.444 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1nc2ccccc2s1 ZINC000501100998 910296418 /nfs/dbraw/zinc/29/64/18/910296418.db2.gz RIPMCBYAKBVZMI-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000501618770 910719259 /nfs/dbraw/zinc/71/92/59/910719259.db2.gz USHYUQIVIHBDTJ-HOCLYGCPSA-N -1 1 404.507 4.053 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](C)[C@@H](C)C3)cc2)cc1 ZINC000501646726 910734792 /nfs/dbraw/zinc/73/47/92/910734792.db2.gz QRGTXQMRSILCNL-IRXDYDNUSA-N -1 1 416.543 4.004 20 0 HIADMM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000501733894 910795997 /nfs/dbraw/zinc/79/59/97/910795997.db2.gz HREHJBBIWXZLAY-HXUWFJFHSA-N -1 1 402.516 4.164 20 0 HIADMM Cc1ccc(NC(=O)c2nc3cccnc3s2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000513205403 921622988 /nfs/dbraw/zinc/62/29/88/921622988.db2.gz CKEVWMJDBMYZAJ-UHFFFAOYSA-N -1 1 424.507 4.053 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@H](C)C2)cc1 ZINC000502201072 911143248 /nfs/dbraw/zinc/14/32/48/911143248.db2.gz CYHCDHQUTVBJJE-IRXDYDNUSA-N -1 1 400.544 4.304 20 0 HIADMM CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000502346055 911325677 /nfs/dbraw/zinc/32/56/77/911325677.db2.gz NOPGYLAYVNZVBP-MRXNPFEDSA-N -1 1 419.616 4.449 20 0 HIADMM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000502397628 911382349 /nfs/dbraw/zinc/38/23/49/911382349.db2.gz HEWGDYMAPAWHGL-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CCC[C@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000502911941 911898935 /nfs/dbraw/zinc/89/89/35/911898935.db2.gz KSFWYBNNXPWGRS-LPHOPBHVSA-N -1 1 402.516 4.021 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC2(C1)CCCCC2 ZINC000503189471 912165682 /nfs/dbraw/zinc/16/56/82/912165682.db2.gz GQXFVYUNJJEBNJ-UHFFFAOYSA-N -1 1 402.491 4.033 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000506552634 915199036 /nfs/dbraw/zinc/19/90/36/915199036.db2.gz LYBCJRXFVZVWHF-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1OC ZINC000506603176 915253647 /nfs/dbraw/zinc/25/36/47/915253647.db2.gz UVLLZGHMXBBLJE-UHFFFAOYSA-N -1 1 413.776 4.316 20 0 HIADMM COCCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(=O)[O-])cc1 ZINC000506800563 915541222 /nfs/dbraw/zinc/54/12/22/915541222.db2.gz ZPJDSLSZLJQOQB-UHFFFAOYSA-N -1 1 417.508 4.103 20 0 HIADMM CSc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)ccn1 ZINC000507047708 915840580 /nfs/dbraw/zinc/84/05/80/915840580.db2.gz JFXVWEVYPQPYDT-UHFFFAOYSA-N -1 1 413.524 4.165 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1 ZINC000507564984 916320145 /nfs/dbraw/zinc/32/01/45/916320145.db2.gz IOPJGENRRLUBGU-UHFFFAOYSA-N -1 1 411.455 4.017 20 0 HIADMM O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1nc2ccccc2c(=O)[n-]1 ZINC000507567605 916323000 /nfs/dbraw/zinc/32/30/00/916323000.db2.gz QPJHVOPWOLKLNI-XJKSGUPXSA-N -1 1 401.388 4.008 20 0 HIADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1Cl ZINC000507581446 916336004 /nfs/dbraw/zinc/33/60/04/916336004.db2.gz GSGHBYYFCAKUOA-UHFFFAOYSA-N -1 1 400.887 4.446 20 0 HIADMM O=C(c1oc2ccccc2c1COc1ccccc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507918811 916797836 /nfs/dbraw/zinc/79/78/36/916797836.db2.gz HQWHMFNJERDTJC-OAHLLOKOSA-N -1 1 419.437 4.120 20 0 HIADMM CCOc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc(Cl)c1[O-] ZINC000508028083 916861910 /nfs/dbraw/zinc/86/19/10/916861910.db2.gz RZOIIPNSKBGYQY-IBGZPJMESA-N -1 1 405.878 4.343 20 0 HIADMM CC(C)(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000508039328 916869020 /nfs/dbraw/zinc/86/90/20/916869020.db2.gz GUWDHEXRIIQJGW-UHFFFAOYSA-N -1 1 414.449 4.282 20 0 HIADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(F)c1 ZINC000508072141 916893597 /nfs/dbraw/zinc/89/35/97/916893597.db2.gz DVWYXMMDSVWEEC-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(Cl)c1 ZINC000508127463 916947004 /nfs/dbraw/zinc/94/70/04/916947004.db2.gz JFFXQLFYOKQNJB-UHFFFAOYSA-N -1 1 423.796 4.134 20 0 HIADMM C[C@@H]1CCC[C@@H](CNC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000508248903 917068776 /nfs/dbraw/zinc/06/87/76/917068776.db2.gz OAAHKALUVXLWIN-SJLPKXTDSA-N -1 1 418.534 4.112 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC(C)(C)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000508284901 917097800 /nfs/dbraw/zinc/09/78/00/917097800.db2.gz XRTWJTYILASBCZ-UHFFFAOYSA-N -1 1 401.576 4.494 20 0 HIADMM O=C(Cc1cccc(O)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000508526096 917308916 /nfs/dbraw/zinc/30/89/16/917308916.db2.gz IKXQWWPWDZLBBD-UHFFFAOYSA-N -1 1 416.886 4.028 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)NC(C)C)cc1 ZINC000509094897 917836066 /nfs/dbraw/zinc/83/60/66/917836066.db2.gz CXCXBSFKGHBIDL-UHFFFAOYSA-N -1 1 415.437 4.345 20 0 HIADMM COc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000509245211 917938285 /nfs/dbraw/zinc/93/82/85/917938285.db2.gz GFFHEBZGIBQAAO-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1c(Cl)cccc1Br ZINC000509265522 917953796 /nfs/dbraw/zinc/95/37/96/917953796.db2.gz VYBRZNYNYVDQPI-UHFFFAOYSA-N -1 1 423.115 4.492 20 0 HIADMM O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509293004 917974074 /nfs/dbraw/zinc/97/40/74/917974074.db2.gz FIVVJGSFSBJFJO-UHFFFAOYSA-N -1 1 422.466 4.179 20 0 HIADMM CCCCCN(Cc1ccc(F)cc1)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000509442992 918095901 /nfs/dbraw/zinc/09/59/01/918095901.db2.gz VXAWEVVTJVISAK-UHFFFAOYSA-N -1 1 412.509 4.342 20 0 HIADMM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c(C)c1 ZINC000509560345 918210101 /nfs/dbraw/zinc/21/01/01/918210101.db2.gz SBVQYTAUKRLUKC-CYBMUJFWSA-N -1 1 404.561 4.277 20 0 HIADMM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3csc4ccccc43)n2)cc1F ZINC000509862333 918464122 /nfs/dbraw/zinc/46/41/22/918464122.db2.gz GUUFFTNWKBNVRB-GFCCVEGCSA-N -1 1 417.487 4.438 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000509866945 918468552 /nfs/dbraw/zinc/46/85/52/918468552.db2.gz WZNRMHRIAHZFLY-UHFFFAOYSA-N -1 1 411.465 4.477 20 0 HIADMM CC[C@@H](c1ccccc1)N(CC)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509930882 918530209 /nfs/dbraw/zinc/53/02/09/918530209.db2.gz PNXSPVNAABQCAC-NRFANRHFSA-N -1 1 404.514 4.485 20 0 HIADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000509951613 918546473 /nfs/dbraw/zinc/54/64/73/918546473.db2.gz IJLMFDSMFAGMBW-AVRDEDQJSA-N -1 1 424.497 4.160 20 0 HIADMM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)c(Cl)c1)c1c(F)cccc1Cl ZINC000510538477 918983382 /nfs/dbraw/zinc/98/33/82/918983382.db2.gz MSLUVVOJPIAUTM-CQSZACIVSA-N -1 1 412.697 4.188 20 0 HIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1coc(C2CCOCC2)n1 ZINC000510802827 919274904 /nfs/dbraw/zinc/27/49/04/919274904.db2.gz ITHJODVDLFWNAV-UHFFFAOYSA-N -1 1 408.842 4.132 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(Cl)ccn2)cc1 ZINC000511131814 919748321 /nfs/dbraw/zinc/74/83/21/919748321.db2.gz PYAXRDDDDGSIPS-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)cc1 ZINC000511144668 919764077 /nfs/dbraw/zinc/76/40/77/919764077.db2.gz KULCKJQYRMGELB-UHFFFAOYSA-N -1 1 418.559 4.441 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000511145655 919765957 /nfs/dbraw/zinc/76/59/57/919765957.db2.gz OFDFHZDLPPISJU-UHFFFAOYSA-N -1 1 424.950 4.412 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3nc(C)cc3C)c2)c2ccccc12 ZINC000511148588 919767666 /nfs/dbraw/zinc/76/76/66/919767666.db2.gz ZMCGAVBYOIXZOV-UHFFFAOYSA-N -1 1 407.495 4.452 20 0 HIADMM COC(=O)c1cc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c(F)cc1F ZINC000511151328 919770097 /nfs/dbraw/zinc/77/00/97/919770097.db2.gz SUTRCZBLUJQHQU-UHFFFAOYSA-N -1 1 410.225 4.167 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3=CCCC3)cc2)ccc1F ZINC000511228716 919832968 /nfs/dbraw/zinc/83/29/68/919832968.db2.gz HIOOOACZYWLRHI-UHFFFAOYSA-N -1 1 402.491 4.165 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)cc1 ZINC000511239523 919842958 /nfs/dbraw/zinc/84/29/58/919842958.db2.gz FMZRPYOFPHDHSI-OAHLLOKOSA-N -1 1 412.511 4.178 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C1=Cc2ccccc2OC1 ZINC000511249846 919849991 /nfs/dbraw/zinc/84/99/91/919849991.db2.gz PRYSYNIPVVVYAZ-UHFFFAOYSA-N -1 1 424.453 4.041 20 0 HIADMM Cc1ccc(NC(=O)[C@@]2(C)CCCOC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000511829117 920530994 /nfs/dbraw/zinc/53/09/94/920530994.db2.gz UQHITXUDMJTQFG-FQEVSTJZSA-N -1 1 422.934 4.204 20 0 HIADMM CC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(Cl)s1 ZINC000511841295 920555662 /nfs/dbraw/zinc/55/56/62/920555662.db2.gz BWHWQNURMHDFSY-OAHLLOKOSA-N -1 1 416.934 4.468 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@H](C)CC)c2)cc1 ZINC000512146944 920889773 /nfs/dbraw/zinc/88/97/73/920889773.db2.gz RJOKNQYQQDBVKQ-HZPDHXFCSA-N -1 1 404.532 4.051 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCc3ccccc3C2)c1 ZINC000514318888 922597253 /nfs/dbraw/zinc/59/72/53/922597253.db2.gz GZJKDWCQHMIJOY-UHFFFAOYSA-N -1 1 424.497 4.133 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(C)c3)cc2)cc1 ZINC000514749028 922780014 /nfs/dbraw/zinc/78/00/14/922780014.db2.gz IQJCATGWHNIHNQ-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000514803770 922806320 /nfs/dbraw/zinc/80/63/20/922806320.db2.gz PIXAQYFAWRMEAD-UHFFFAOYSA-N -1 1 404.491 4.185 20 0 HIADMM CC(=O)Nc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000515123068 922936717 /nfs/dbraw/zinc/93/67/17/922936717.db2.gz KGIQGYBSWXMEMC-UHFFFAOYSA-N -1 1 424.803 4.398 20 0 HIADMM CN(Cc1ccc(F)cc1F)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000515183147 922974366 /nfs/dbraw/zinc/97/43/66/922974366.db2.gz SNVZGBHMPWOHPU-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1)NC1CC1 ZINC000515201421 922988148 /nfs/dbraw/zinc/98/81/48/922988148.db2.gz DNYVYYUNBKFDKQ-UHFFFAOYSA-N -1 1 419.506 4.343 20 0 HIADMM CCOC(=O)c1nn(-c2ccccc2)cc1-c1nc2sc3c(c2c(=O)[n-]1)CCCC3 ZINC000515597194 923206935 /nfs/dbraw/zinc/20/69/35/923206935.db2.gz PXRBNDATCKSWEL-UHFFFAOYSA-N -1 1 420.494 4.305 20 0 HIADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)cc1Cl ZINC000515694037 923276358 /nfs/dbraw/zinc/27/63/58/923276358.db2.gz LBIUSERWNYOKTP-UHFFFAOYSA-N -1 1 422.934 4.199 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)c1C ZINC000515699054 923283659 /nfs/dbraw/zinc/28/36/59/923283659.db2.gz CJOVZYNPQSNZSW-UHFFFAOYSA-N -1 1 400.544 4.347 20 0 HIADMM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cnc5nc(C)ccc5c4[O-])CC3)c2c1 ZINC000515826872 923378521 /nfs/dbraw/zinc/37/85/21/923378521.db2.gz OIUBPEQMIIPSDC-UHFFFAOYSA-N -1 1 414.465 4.063 20 0 HIADMM COc1ccc2[nH]cc(C3=CCN(C(=O)c4c[n-]c5nc(C)ccc5c4=O)CC3)c2c1 ZINC000515826872 923378538 /nfs/dbraw/zinc/37/85/38/923378538.db2.gz OIUBPEQMIIPSDC-UHFFFAOYSA-N -1 1 414.465 4.063 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N([C@@H](C)C(C)C)C3CC3)c2)cc1 ZINC000516331400 923670047 /nfs/dbraw/zinc/67/00/47/923670047.db2.gz ZSWHFBHCVWVJGG-INIZCTEOSA-N -1 1 416.543 4.145 20 0 HIADMM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)OC)c2)c(C)c1 ZINC000517062262 923983283 /nfs/dbraw/zinc/98/32/83/923983283.db2.gz NHIAVYKEODFGEV-OAHLLOKOSA-N -1 1 407.557 4.402 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)Cc3ccccc3)c2)ccc1F ZINC000517168413 924034874 /nfs/dbraw/zinc/03/48/74/924034874.db2.gz APXZPHFQFCGIOS-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc3ccccc3c2)o1 ZINC000517601451 926710274 /nfs/dbraw/zinc/71/02/74/926710274.db2.gz GOOCHGNGDLKQGQ-QFIPXVFZSA-N -1 1 421.474 4.287 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(COc4ccccc4)no3)c2)cc1 ZINC000517609572 926717401 /nfs/dbraw/zinc/71/74/01/926717401.db2.gz KTYMPLGWLJZETC-UHFFFAOYSA-N -1 1 421.478 4.425 20 0 HIADMM CC[C@H](NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)(C)C ZINC000517937754 926896767 /nfs/dbraw/zinc/89/67/67/926896767.db2.gz CRBADWDPOIIEBH-FQEVSTJZSA-N -1 1 417.575 4.454 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)NC(C)C ZINC000518174033 927064843 /nfs/dbraw/zinc/06/48/43/927064843.db2.gz PQKUTKFSTUQASH-UHFFFAOYSA-N -1 1 401.315 4.241 20 0 HIADMM CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)ccc2o1 ZINC000518241040 927101649 /nfs/dbraw/zinc/10/16/49/927101649.db2.gz SGMICGCDQITGMR-UHFFFAOYSA-N -1 1 416.499 4.379 20 0 HIADMM CCCCCN(Cc1ccc(Cl)cc1)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000518247942 927106051 /nfs/dbraw/zinc/10/60/51/927106051.db2.gz AUENRVAACQRQON-UHFFFAOYSA-N -1 1 414.937 4.467 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3NC(=O)c3cccs3)ccc2O1 ZINC000518492781 927306502 /nfs/dbraw/zinc/30/65/02/927306502.db2.gz OPEMMBHLDQXSKY-CYBMUJFWSA-N -1 1 414.508 4.125 20 0 HIADMM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000518704363 927445914 /nfs/dbraw/zinc/44/59/14/927445914.db2.gz HXGUIHGBKUVJGB-UHFFFAOYSA-N -1 1 406.511 4.404 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000518852193 927555526 /nfs/dbraw/zinc/55/55/26/927555526.db2.gz ZBOOAIMHYFPQQR-UHFFFAOYSA-N -1 1 417.513 4.189 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(-c4cccnc4)no3)c2)c1 ZINC000518855894 927560346 /nfs/dbraw/zinc/56/03/46/927560346.db2.gz GFSIRKIBTPLURC-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1 ZINC000518860980 927567405 /nfs/dbraw/zinc/56/74/05/927567405.db2.gz YPSMLSQLFNIAAV-UHFFFAOYSA-N -1 1 401.532 4.216 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CC3)cc2)c(C)c1C ZINC000518992636 927679488 /nfs/dbraw/zinc/67/94/88/927679488.db2.gz BXGDPDSOUITSOH-UHFFFAOYSA-N -1 1 400.544 4.264 20 0 HIADMM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)cnc21 ZINC000519061295 927738695 /nfs/dbraw/zinc/73/86/95/927738695.db2.gz SJRYUSHLQXPRCX-UHFFFAOYSA-N -1 1 422.510 4.392 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c(C(F)(F)F)c1 ZINC000519266688 927855477 /nfs/dbraw/zinc/85/54/77/927855477.db2.gz BVRNJYIFIJXFDN-NSHDSACASA-N -1 1 401.406 4.228 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3ccccn3)c2)c1 ZINC000519349572 927892498 /nfs/dbraw/zinc/89/24/98/927892498.db2.gz IKDUIHOJGXKJJZ-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)c3ccccn3)c2)c1 ZINC000519349612 927892607 /nfs/dbraw/zinc/89/26/07/927892607.db2.gz KPSOYWYFLXBEAD-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C(=O)NC(C)C ZINC000519454449 927962199 /nfs/dbraw/zinc/96/21/99/927962199.db2.gz KPIRDXROSWZLFP-UHFFFAOYSA-N -1 1 414.449 4.261 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CC=CCC2)cc1 ZINC000519977448 928204544 /nfs/dbraw/zinc/20/45/44/928204544.db2.gz PGXBTGYHHYOSHW-INIZCTEOSA-N -1 1 402.491 4.021 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000519998940 928225082 /nfs/dbraw/zinc/22/50/82/928225082.db2.gz YFSBCPDLWSDONL-UHFFFAOYSA-N -1 1 415.497 4.345 20 0 HIADMM Cc1nn(-c2ccccc2)c(C)c1C=C([O-])Nc1nc(-c2ccccc2Cl)ns1 ZINC000520321033 928484491 /nfs/dbraw/zinc/48/44/91/928484491.db2.gz ZRKJKGHNJCXNMI-UHFFFAOYSA-N -1 1 423.929 4.264 20 0 HIADMM O=C(NC[C@H]1CC=CCC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000520550518 928635877 /nfs/dbraw/zinc/63/58/77/928635877.db2.gz OHRWGMWZHZKUTC-HNNXBMFYSA-N -1 1 404.919 4.227 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Oc3nc(C)cs3)c(F)c2)c1 ZINC000520657521 928704675 /nfs/dbraw/zinc/70/46/75/928704675.db2.gz IUYMEIVKRYJCCU-UHFFFAOYSA-N -1 1 401.419 4.299 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)cc1 ZINC000520699945 928746214 /nfs/dbraw/zinc/74/62/14/928746214.db2.gz MPZSWCSXGXLSCA-UHFFFAOYSA-N -1 1 403.500 4.123 20 0 HIADMM Cc1ccccc1C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000520732128 928781014 /nfs/dbraw/zinc/78/10/14/928781014.db2.gz OFWSIODIJWQYFB-IBGZPJMESA-N -1 1 422.550 4.465 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(Cl)sc1Cl ZINC000520738339 928786882 /nfs/dbraw/zinc/78/68/82/928786882.db2.gz WOYQQILGHIKOCR-RISCZKNCSA-N -1 1 410.319 4.393 20 0 HIADMM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000520910968 928870532 /nfs/dbraw/zinc/87/05/32/928870532.db2.gz OEPSKSZGHGLTDE-OAHLLOKOSA-N -1 1 421.328 4.039 20 0 HIADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c(C)c1 ZINC000521185960 929050943 /nfs/dbraw/zinc/05/09/43/929050943.db2.gz MCGXQKRKERURHE-UHFFFAOYSA-N -1 1 408.479 4.445 20 0 HIADMM Cc1csc(N(C)C(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n1 ZINC000521353506 929172561 /nfs/dbraw/zinc/17/25/61/929172561.db2.gz HYTKKCBOWHOAAU-UHFFFAOYSA-N -1 1 415.540 4.146 20 0 HIADMM CCC[C@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000521567238 929301443 /nfs/dbraw/zinc/30/14/43/929301443.db2.gz HRYCBMNFLFVSLJ-KRWDZBQOSA-N -1 1 404.532 4.195 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3-n3cccn3)ccc2O1 ZINC000521569955 929302487 /nfs/dbraw/zinc/30/24/87/929302487.db2.gz GOGFEQCGVQRRHF-GFCCVEGCSA-N -1 1 423.416 4.015 20 0 HIADMM O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000521647210 929343456 /nfs/dbraw/zinc/34/34/56/929343456.db2.gz POVBQZPLJKLYIW-UHFFFAOYSA-N -1 1 410.783 4.237 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCc2cc(Cl)ccc21 ZINC000521848248 929499013 /nfs/dbraw/zinc/49/90/13/929499013.db2.gz QKIUVINKPQXFIA-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM COc1ccccc1OCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000521936603 929575391 /nfs/dbraw/zinc/57/53/91/929575391.db2.gz VMFSGCMYDASRQK-UHFFFAOYSA-N -1 1 400.656 4.224 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(F)c(F)c(F)c1 ZINC000521947391 929584218 /nfs/dbraw/zinc/58/42/18/929584218.db2.gz JJWPGMHFKKUYPY-UHFFFAOYSA-N -1 1 421.322 4.109 20 0 HIADMM Cc1ccc(NC(=O)c2ccncc2F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000524957796 929920870 /nfs/dbraw/zinc/92/08/70/929920870.db2.gz LJJBWVHKPLCQDU-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1 ZINC000525009498 929970856 /nfs/dbraw/zinc/97/08/56/929970856.db2.gz TUQNAXFUFOPALR-UHFFFAOYSA-N -1 1 414.449 4.074 20 0 HIADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000525104787 930038558 /nfs/dbraw/zinc/03/85/58/930038558.db2.gz GFLHANVRHKVWRC-CABCVRRESA-N -1 1 422.497 4.416 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)[C@@H]3C)ccc2C)cc1 ZINC000525107744 930040378 /nfs/dbraw/zinc/04/03/78/930040378.db2.gz LRFXJEFVFXCOAO-WMZOPIPTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1C(=O)N(C)C ZINC000525368886 930199865 /nfs/dbraw/zinc/19/98/65/930199865.db2.gz CLEPBXNTGNSNJZ-UHFFFAOYSA-N -1 1 420.840 4.170 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](CC(C)C)c2ccccc2)c1 ZINC000525386902 930211989 /nfs/dbraw/zinc/21/19/89/930211989.db2.gz PBVZJSBNGBRKJY-IBGZPJMESA-N -1 1 418.559 4.191 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](CC(C)C)c2ccccc2)c1 ZINC000525386903 930212402 /nfs/dbraw/zinc/21/24/02/930212402.db2.gz PBVZJSBNGBRKJY-LJQANCHMSA-N -1 1 418.559 4.191 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)S[C@@H](C)C3)c2)c1 ZINC000525717171 930413524 /nfs/dbraw/zinc/41/35/24/930413524.db2.gz INIPHPUEVKOOEQ-IRXDYDNUSA-N -1 1 418.584 4.070 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)cc1 ZINC000525740153 930422644 /nfs/dbraw/zinc/42/26/44/930422644.db2.gz PQJSKXISGZOSHE-UHFFFAOYSA-N -1 1 420.494 4.036 20 0 HIADMM Cn1ccc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)cc21 ZINC000526950318 930555727 /nfs/dbraw/zinc/55/57/27/930555727.db2.gz JTPKDDKQWHJVIH-UHFFFAOYSA-N -1 1 423.469 4.371 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C(C)(C)CC)cc2)cc1 ZINC000527189969 930609412 /nfs/dbraw/zinc/60/94/12/930609412.db2.gz WMYWQLIAGCCLMS-UHFFFAOYSA-N -1 1 404.532 4.147 20 0 HIADMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3-c3ccccc3)cc2N1 ZINC000527489596 930667713 /nfs/dbraw/zinc/66/77/13/930667713.db2.gz BETAYPZHNGHFJL-UHFFFAOYSA-N -1 1 414.870 4.139 20 0 HIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc4nc([C@@H]5CCCO5)[nH]c4c3)c2n1 ZINC000531009596 930883547 /nfs/dbraw/zinc/88/35/47/930883547.db2.gz PMGMWEPGVCUSLR-SFHVURJKSA-N -1 1 408.483 4.072 20 0 HIADMM C[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000531124867 930932487 /nfs/dbraw/zinc/93/24/87/930932487.db2.gz BELCNYNMLAEONX-QGZVFWFLSA-N -1 1 406.507 4.247 20 0 HIADMM C[C@H]1c2ccccc2CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000531124866 930933067 /nfs/dbraw/zinc/93/30/67/930933067.db2.gz BELCNYNMLAEONX-KRWDZBQOSA-N -1 1 406.507 4.247 20 0 HIADMM O=C(Nc1cccc2ccncc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000531280143 930998758 /nfs/dbraw/zinc/99/87/58/930998758.db2.gz HFPNHFJYIMVRCS-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1cc(C)c(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])o1 ZINC000531396112 931043208 /nfs/dbraw/zinc/04/32/08/931043208.db2.gz CZZGBBYNXPFKGJ-UHFFFAOYSA-N -1 1 420.874 4.309 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1C(=O)N(C)C ZINC000531433069 931055745 /nfs/dbraw/zinc/05/57/45/931055745.db2.gz BSZZHTFHFNLWRD-UHFFFAOYSA-N -1 1 406.507 4.069 20 0 HIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc2n1C ZINC000531437824 931057192 /nfs/dbraw/zinc/05/71/92/931057192.db2.gz PBDVDAGVRBQBSS-UHFFFAOYSA-N -1 1 403.813 4.355 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000531872173 931230592 /nfs/dbraw/zinc/23/05/92/931230592.db2.gz NYXODRZEAPJTGY-OAQYLSRUSA-N -1 1 417.513 4.219 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c1 ZINC000532110375 931316370 /nfs/dbraw/zinc/31/63/70/931316370.db2.gz FMJORXLBZVLJIJ-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)c1ccc([O-])cc1 ZINC000532270463 931378554 /nfs/dbraw/zinc/37/85/54/931378554.db2.gz XJFIBTDNHAREBI-UHFFFAOYSA-N -1 1 421.478 4.179 20 0 HIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C)c(Br)s3)c2C)o1 ZINC000532768780 931627861 /nfs/dbraw/zinc/62/78/61/931627861.db2.gz MEQGJULKDRNXOR-UHFFFAOYSA-N -1 1 416.322 4.220 20 0 HIADMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)c2)n1C ZINC000532983461 931725633 /nfs/dbraw/zinc/72/56/33/931725633.db2.gz XVTVMXVMGAGAOT-UHFFFAOYSA-N -1 1 416.506 4.163 20 0 HIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)c2C)o1 ZINC000533229061 931815038 /nfs/dbraw/zinc/81/50/38/931815038.db2.gz AXYZCSFJPPUZON-SNVBAGLBSA-N -1 1 407.879 4.064 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1 ZINC000533647258 931943616 /nfs/dbraw/zinc/94/36/16/931943616.db2.gz FVVCXWZKFSRIOA-UHFFFAOYSA-N -1 1 402.756 4.197 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 ZINC000533650697 931946746 /nfs/dbraw/zinc/94/67/46/931946746.db2.gz BRWZGGZTQCHVFV-UHFFFAOYSA-N -1 1 424.478 4.030 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)c1 ZINC000533652031 931947499 /nfs/dbraw/zinc/94/74/99/931947499.db2.gz PLXSNAGAWTWJOX-UHFFFAOYSA-N -1 1 400.438 4.157 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(CO)ccc3C)c2)c1 ZINC000534227030 932345682 /nfs/dbraw/zinc/34/56/82/932345682.db2.gz SGCXBYFTAAURGQ-UHFFFAOYSA-N -1 1 424.522 4.157 20 0 HIADMM O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1cc(F)cc(Cl)c1 ZINC000534400928 932425301 /nfs/dbraw/zinc/42/53/01/932425301.db2.gz MYCZQWVSUCRQLU-UHFFFAOYSA-N -1 1 401.897 4.283 20 0 HIADMM CSc1ccc(-c2nsc([N-]C(=O)c3csc([C@H]4CCCO4)n3)n2)cc1 ZINC000534472907 932500374 /nfs/dbraw/zinc/50/03/74/932500374.db2.gz JAEGBVPMHCTMGC-CYBMUJFWSA-N -1 1 404.542 4.487 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000534674043 932643849 /nfs/dbraw/zinc/64/38/49/932643849.db2.gz GPONJZQVKCPSND-UHFFFAOYSA-N -1 1 409.311 4.459 20 0 HIADMM O=C([O-])CCCc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000534688851 932659711 /nfs/dbraw/zinc/65/97/11/932659711.db2.gz DCSGAKHRTFXVBB-UHFFFAOYSA-N -1 1 405.369 4.053 20 0 HIADMM COc1ccc(Sc2nsc([N-]C(=O)c3cnc([C@@H]4CCCO4)s3)n2)cc1 ZINC000534800572 932777908 /nfs/dbraw/zinc/77/79/08/932777908.db2.gz PIVYORCWUYSNQC-LBPRGKRZSA-N -1 1 420.541 4.258 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1CC ZINC000535235153 933032169 /nfs/dbraw/zinc/03/21/69/933032169.db2.gz VTLFOOUQLHYZAD-UHFFFAOYSA-N -1 1 423.600 4.326 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)cc1Cl ZINC000535399891 933116678 /nfs/dbraw/zinc/11/66/78/933116678.db2.gz JLOMYTYFFRQDLM-UHFFFAOYSA-N -1 1 418.298 4.210 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC(C)(C)c3ccccc32)o1 ZINC000535557006 933241575 /nfs/dbraw/zinc/24/15/75/933241575.db2.gz ZJHIFYJKCRECNM-UHFFFAOYSA-N -1 1 404.532 4.075 20 0 HIADMM CCc1noc(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000535919507 933493104 /nfs/dbraw/zinc/49/31/04/933493104.db2.gz SVHDEESYMZACTK-UHFFFAOYSA-N -1 1 417.462 4.046 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)cc1 ZINC000535991541 933553712 /nfs/dbraw/zinc/55/37/12/933553712.db2.gz JUYUHVZYHSXBDB-UHFFFAOYSA-N -1 1 421.522 4.241 20 0 HIADMM COc1ccc(-c2cc(C(=O)Nc3cccc(CSCCC(=O)[O-])c3)[nH]n2)cc1 ZINC000537366953 933739975 /nfs/dbraw/zinc/73/99/75/933739975.db2.gz AOUNSCNYQJLJQN-UHFFFAOYSA-N -1 1 411.483 4.046 20 0 HIADMM Cc1ccc(-c2nsc([N-]C(=O)c3cn(-c4cccc(Cl)c4F)nn3)n2)s1 ZINC000537389124 933751752 /nfs/dbraw/zinc/75/17/52/933751752.db2.gz LZGCJYMCQLFTOJ-UHFFFAOYSA-N -1 1 420.882 4.201 20 0 HIADMM Cc1ccc(NC(=O)c2ccc3nsnc3c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000537407070 933761782 /nfs/dbraw/zinc/76/17/82/933761782.db2.gz OFCOJIJVMBLVGE-UHFFFAOYSA-N -1 1 424.507 4.053 20 0 HIADMM Cc1cc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)ccc1O ZINC000562561287 945098949 /nfs/dbraw/zinc/09/89/49/945098949.db2.gz DXDBELQODSLCEL-UHFFFAOYSA-N -1 1 407.451 4.218 20 0 HIADMM COCCC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000537593847 938330564 /nfs/dbraw/zinc/33/05/64/938330564.db2.gz OPIDQFWQYWMCTL-HNNXBMFYSA-N -1 1 424.950 4.450 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)c1Cl ZINC000537651052 938347323 /nfs/dbraw/zinc/34/73/23/938347323.db2.gz DMZRIUFXKJKKGR-UHFFFAOYSA-N -1 1 414.980 4.216 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000537705615 938360017 /nfs/dbraw/zinc/36/00/17/938360017.db2.gz IRDBCMMDHQZTPL-HOCLYGCPSA-N -1 1 420.488 4.159 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(-c3ccc(Cl)cc3)s2)o1 ZINC000537790379 938376465 /nfs/dbraw/zinc/37/64/65/938376465.db2.gz DHSHOSVKBKQZFS-LLVKDONJSA-N -1 1 424.931 4.061 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000538015083 938462775 /nfs/dbraw/zinc/46/27/75/938462775.db2.gz HUKFPFAOPVOXTM-UHFFFAOYSA-N -1 1 424.522 4.205 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 ZINC000538031992 938473982 /nfs/dbraw/zinc/47/39/82/938473982.db2.gz BGOHDDHNNDHKAI-CQSZACIVSA-N -1 1 409.511 4.283 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000538033453 938474831 /nfs/dbraw/zinc/47/48/31/938474831.db2.gz FUGQIVUMACQLPI-GOSISDBHSA-N -1 1 424.563 4.149 20 0 HIADMM CCCc1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)s1 ZINC000538486580 938632937 /nfs/dbraw/zinc/63/29/37/938632937.db2.gz QHDAPIAGUCJLJL-UHFFFAOYSA-N -1 1 419.503 4.288 20 0 HIADMM Cc1ccc(I)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000563474174 945195740 /nfs/dbraw/zinc/19/57/40/945195740.db2.gz ORRPYPRSGQRGPP-UHFFFAOYSA-N -1 1 423.222 4.338 20 0 HIADMM C[C@@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000538747185 938700440 /nfs/dbraw/zinc/70/04/40/938700440.db2.gz ITAOHQCGEAILTR-QDMKHBRRSA-N -1 1 422.934 4.283 20 0 HIADMM C[C@@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C[C@H](C)O1 ZINC000538749680 938700991 /nfs/dbraw/zinc/70/09/91/938700991.db2.gz AIIDDCGNBQABCV-QDMKHBRRSA-N -1 1 422.934 4.283 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)cc1 ZINC000538753396 938702650 /nfs/dbraw/zinc/70/26/50/938702650.db2.gz LZHRSGVWZXVDID-UHFFFAOYSA-N -1 1 421.347 4.026 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)cc1 ZINC000539192568 938817725 /nfs/dbraw/zinc/81/77/25/938817725.db2.gz AEAQKVPASMNJPI-UHFFFAOYSA-N -1 1 408.479 4.366 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nnc(C)s3)cc2C)cc1 ZINC000539240677 938823542 /nfs/dbraw/zinc/82/35/42/938823542.db2.gz IGSXNXILDQDVAQ-UHFFFAOYSA-N -1 1 421.569 4.253 20 0 HIADMM O=C(c1ccc(Oc2ccc(Cl)cc2Cl)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539325357 938841627 /nfs/dbraw/zinc/84/16/27/938841627.db2.gz GCWWDPUGUJZDQY-CYBMUJFWSA-N -1 1 418.284 4.319 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ncccc1C(F)(F)F ZINC000539960686 938981595 /nfs/dbraw/zinc/98/15/95/938981595.db2.gz AOQBVVKCQOOLIH-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000540116934 939078440 /nfs/dbraw/zinc/07/84/40/939078440.db2.gz KRKIEDPLRHZCBH-XJKSGUPXSA-N -1 1 408.470 4.169 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3[C@H](CC)CC[C@@H]3C)cc2)cc1 ZINC000540116455 939078609 /nfs/dbraw/zinc/07/86/09/939078609.db2.gz JLOUHOLFAHTGTO-QFBILLFUSA-N -1 1 416.543 4.289 20 0 HIADMM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000540217119 939132868 /nfs/dbraw/zinc/13/28/68/939132868.db2.gz KFTZDXKQVRTBJU-KZULUSFZSA-N -1 1 424.316 4.250 20 0 HIADMM Cc1scc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1C ZINC000540218764 939134844 /nfs/dbraw/zinc/13/48/44/939134844.db2.gz PDQQCWRGKUJJAG-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(C)c3Cl)n2)ccc1F ZINC000540517604 939284651 /nfs/dbraw/zinc/28/46/51/939284651.db2.gz VRIXDJLXZGNAQH-GFCCVEGCSA-N -1 1 409.870 4.185 20 0 HIADMM CCCc1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000540681236 939337476 /nfs/dbraw/zinc/33/74/76/939337476.db2.gz DXOCIUSUKRUOAG-UHFFFAOYSA-N -1 1 401.513 4.149 20 0 HIADMM Cc1nc(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)[n-]c(=O)c1C ZINC000540714604 939346548 /nfs/dbraw/zinc/34/65/48/939346548.db2.gz YPMPZQQFLFSWLH-GZMMTYOYSA-N -1 1 402.545 4.487 20 0 HIADMM CSCc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000540868920 939404334 /nfs/dbraw/zinc/40/43/34/939404334.db2.gz ZMZAFTLHIOPNNY-UHFFFAOYSA-N -1 1 400.525 4.462 20 0 HIADMM O=C(NC/C=C\c1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000540885377 939409449 /nfs/dbraw/zinc/40/94/49/939409449.db2.gz CXQYPMYLDCMEHH-YVMONPNESA-N -1 1 410.470 4.070 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC/C=C/c2ccccc2)cc1 ZINC000540885355 939409667 /nfs/dbraw/zinc/40/96/67/939409667.db2.gz DNXFVXKLXRSMTG-YRNVUSSQSA-N -1 1 406.507 4.239 20 0 HIADMM CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000540959743 939421054 /nfs/dbraw/zinc/42/10/54/939421054.db2.gz ZCVYLGYIHQEDMB-GFCCVEGCSA-N -1 1 413.948 4.349 20 0 HIADMM Cc1cc(C)c(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)c(C)c1CC(=O)[O-] ZINC000541082037 939453771 /nfs/dbraw/zinc/45/37/71/939453771.db2.gz NKJZMFDYWXVEBJ-UHFFFAOYSA-N -1 1 421.563 4.016 20 0 HIADMM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1(C)C ZINC000541841646 939645762 /nfs/dbraw/zinc/64/57/62/939645762.db2.gz HDAJFYRYFYHLMP-UZLBHIALSA-N -1 1 414.527 4.067 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCCCOC(C)C)cc2)c1 ZINC000542183640 939747850 /nfs/dbraw/zinc/74/78/50/939747850.db2.gz JKXBXOSHOBEKAL-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)nn1[C@@H](C)C1CC1 ZINC000542389114 939812635 /nfs/dbraw/zinc/81/26/35/939812635.db2.gz GIAAIBXDGUGKDF-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)c2C1 ZINC000542864919 939864056 /nfs/dbraw/zinc/86/40/56/939864056.db2.gz NVKCHBXXOADGAB-UHFFFAOYSA-N -1 1 413.312 4.115 20 0 HIADMM Cc1ccccc1C1CCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CC1 ZINC000542669065 939852901 /nfs/dbraw/zinc/85/29/01/939852901.db2.gz RYMWGAZANZIZNA-UHFFFAOYSA-N -1 1 416.525 4.200 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ncc(C3CCCCC3)s2)o1 ZINC000542927293 939879679 /nfs/dbraw/zinc/87/96/79/939879679.db2.gz GKZKYZWWMVCZTM-UHFFFAOYSA-N -1 1 411.549 4.113 20 0 HIADMM CCc1nc2cc(S(=O)(=O)[N-]c3ccc4c(c3)nc3n4CCCCC3)ccc2o1 ZINC000542930757 939880446 /nfs/dbraw/zinc/88/04/46/939880446.db2.gz WBDSWRWLCWIFEO-UHFFFAOYSA-N -1 1 410.499 4.267 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)c2)oc1C ZINC000543163820 939982558 /nfs/dbraw/zinc/98/25/58/939982558.db2.gz HTXBIVVLQHEWQL-UHFFFAOYSA-N -1 1 408.426 4.403 20 0 HIADMM CS[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C(C)(C)C ZINC000543305052 940023974 /nfs/dbraw/zinc/02/39/74/940023974.db2.gz XHGLNSXPHXKYIR-LJQANCHMSA-N -1 1 420.600 4.303 20 0 HIADMM CN(C[C@H]1CC=CCC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000543355386 940040059 /nfs/dbraw/zinc/04/00/59/940040059.db2.gz HFVYCLJMHJXMEP-INIZCTEOSA-N -1 1 402.491 4.055 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C[C@@H]3CC=CCC3)cc2)ccc1F ZINC000543355830 940040729 /nfs/dbraw/zinc/04/07/29/940040729.db2.gz AYRHPBVVZDDPKZ-QGZVFWFLSA-N -1 1 416.518 4.363 20 0 HIADMM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000543608215 940129452 /nfs/dbraw/zinc/12/94/52/940129452.db2.gz IQXUAVGOIZEBRO-JTSKRJEESA-N -1 1 421.522 4.106 20 0 HIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3-c3cccs3)cc3c2N1CCC3 ZINC000543657800 940152241 /nfs/dbraw/zinc/15/22/41/940152241.db2.gz KGCZLSUIPOCWPM-UHFFFAOYSA-N -1 1 424.547 4.441 20 0 HIADMM C[C@@H](CN(C)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1nn[n-]n1 ZINC000543700618 940165102 /nfs/dbraw/zinc/16/51/02/940165102.db2.gz OQYUGKHOPRNINE-LURJTMIESA-N -1 1 404.710 4.250 20 0 HIADMM O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000543745277 940173611 /nfs/dbraw/zinc/17/36/11/940173611.db2.gz PJGXRGBIKCEIHY-UHFFFAOYSA-N -1 1 414.918 4.294 20 0 HIADMM C[C@H]1CC[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)C2)C1 ZINC000543832354 940202343 /nfs/dbraw/zinc/20/23/43/940202343.db2.gz JNMFNNCWCSNVAY-AOMKIAJQSA-N -1 1 416.518 4.279 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)CCCCF)c(C(F)(F)F)c1)c1ccccc1 ZINC000563801821 945304797 /nfs/dbraw/zinc/30/47/97/945304797.db2.gz GAJAGJSBDDMBQA-UHFFFAOYSA-N -1 1 418.412 4.449 20 0 HIADMM CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000544293209 940381713 /nfs/dbraw/zinc/38/17/13/940381713.db2.gz JUFPLPWEVUCQLP-KRWDZBQOSA-N -1 1 418.534 4.064 20 0 HIADMM Cc1ccc([C@@H]2CCN(C(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)C2)cc1 ZINC000544316924 940388464 /nfs/dbraw/zinc/38/84/64/940388464.db2.gz RFCLHLCUMRSLMT-OAQYLSRUSA-N -1 1 420.534 4.426 20 0 HIADMM O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000544375090 940405572 /nfs/dbraw/zinc/40/55/72/940405572.db2.gz MLBVRYZBZORVPD-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM C[C@H](c1ccco1)N(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)C1CC1 ZINC000544388951 940408756 /nfs/dbraw/zinc/40/87/56/940408756.db2.gz BPZBODIPSKLILP-LLVKDONJSA-N -1 1 401.260 4.249 20 0 HIADMM CCC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000544572801 940482435 /nfs/dbraw/zinc/48/24/35/940482435.db2.gz PFZCSXMRWNPTIE-LJQANCHMSA-N -1 1 416.543 4.291 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1 ZINC000544818301 940517227 /nfs/dbraw/zinc/51/72/27/940517227.db2.gz SOYXMONRSGVAIF-UHFFFAOYSA-N -1 1 414.321 4.184 20 0 HIADMM CCN(CCC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000544867900 940520337 /nfs/dbraw/zinc/52/03/37/940520337.db2.gz NSRORZUJRWFOAO-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CS[C@H](CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(C)(C)C ZINC000544892340 940522489 /nfs/dbraw/zinc/52/24/89/940522489.db2.gz GOPPGZKHATXSSJ-GOSISDBHSA-N -1 1 421.588 4.387 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(CSCc2ccccc2)no1 ZINC000544999497 940532173 /nfs/dbraw/zinc/53/21/73/940532173.db2.gz NNSLWHZVIFAIHE-UHFFFAOYSA-N -1 1 419.510 4.154 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)cc1 ZINC000545091937 940541734 /nfs/dbraw/zinc/54/17/34/940541734.db2.gz HAZGMEZATRGDIW-DOTOQJQBSA-N -1 1 413.499 4.128 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc(Cl)c1[O-] ZINC000545169112 940553882 /nfs/dbraw/zinc/55/38/82/940553882.db2.gz WVMZJOCVEAIYCD-GFCCVEGCSA-N -1 1 417.893 4.219 20 0 HIADMM C[C@H]1CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1(C)C ZINC000545405651 940568588 /nfs/dbraw/zinc/56/85/88/940568588.db2.gz HPZYRZWVROXGTK-KRWDZBQOSA-N -1 1 415.559 4.065 20 0 HIADMM Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000545417196 940568955 /nfs/dbraw/zinc/56/89/55/940568955.db2.gz CKMNYQJPVLXLFV-CQSZACIVSA-N -1 1 413.934 4.333 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000545451622 940570585 /nfs/dbraw/zinc/57/05/85/940570585.db2.gz WOVAYMIJIQLVMC-UHFFFAOYSA-N -1 1 412.433 4.060 20 0 HIADMM CCOc1cc(Cl)ccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000545459009 940570900 /nfs/dbraw/zinc/57/09/00/940570900.db2.gz BHYALYMCYSIOKF-UHFFFAOYSA-N -1 1 417.630 4.301 20 0 HIADMM CCCCSc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1C(F)(F)F ZINC000545461162 940570979 /nfs/dbraw/zinc/57/09/79/940570979.db2.gz QMCSDXNIPTZONQ-ZDUSSCGKSA-N -1 1 413.469 4.131 20 0 HIADMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(I)c([O-])c1 ZINC000545479001 940571477 /nfs/dbraw/zinc/57/14/77/940571477.db2.gz MHWLOSNZFWNXNR-CYBMUJFWSA-N -1 1 421.156 4.030 20 0 HIADMM CCN(CCC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000545492669 940571953 /nfs/dbraw/zinc/57/19/53/940571953.db2.gz KDDHIEKTNXAXBV-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000545494725 940571988 /nfs/dbraw/zinc/57/19/88/940571988.db2.gz YCZKBIUEVJVWLB-UKRRQHHQSA-N -1 1 421.278 4.090 20 0 HIADMM CC[C@@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000545507885 940572361 /nfs/dbraw/zinc/57/23/61/940572361.db2.gz GKDIPGCMBSOQLR-HNNXBMFYSA-N -1 1 414.449 4.257 20 0 HIADMM C[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C[C@@H](C)C1 ZINC000545514043 940572601 /nfs/dbraw/zinc/57/26/01/940572601.db2.gz MUXALAJDTOFWRX-SJORKVTESA-N -1 1 401.532 4.387 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000545514847 940572715 /nfs/dbraw/zinc/57/27/15/940572715.db2.gz PCTARKAAYXXVLA-PGRDOPGGSA-N -1 1 421.522 4.240 20 0 HIADMM Cc1[nH]c2ccc(-c3noc(-c4ccc(S(=O)(=O)[N-]C(C)(C)C)o4)n3)cc2c1C ZINC000545641658 940578523 /nfs/dbraw/zinc/57/85/23/940578523.db2.gz KUELLWQGSMGJBV-UHFFFAOYSA-N -1 1 414.487 4.172 20 0 HIADMM CCOc1cc(C(=O)NCc2cc(Br)ccc2OC)cc(Cl)c1[O-] ZINC000545846467 940630755 /nfs/dbraw/zinc/63/07/55/940630755.db2.gz XMNSMEQNLMOALX-UHFFFAOYSA-N -1 1 414.683 4.145 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000545856215 940639598 /nfs/dbraw/zinc/63/95/98/940639598.db2.gz HZKDGAUTZZDJQI-AWEZNQCLSA-N -1 1 404.894 4.090 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)cc(Cl)c1[O-] ZINC000545877271 940649049 /nfs/dbraw/zinc/64/90/49/940649049.db2.gz FOFCLHNCKPHBPG-UHFFFAOYSA-N -1 1 402.878 4.241 20 0 HIADMM CCN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2CCC1=O ZINC000546072330 940691668 /nfs/dbraw/zinc/69/16/68/940691668.db2.gz OLOMLNBFQAMFKI-UHFFFAOYSA-N -1 1 418.518 4.358 20 0 HIADMM COCCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000546078709 940692615 /nfs/dbraw/zinc/69/26/15/940692615.db2.gz YZZSQUKPGTZWKW-UHFFFAOYSA-N -1 1 404.532 4.105 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c1 ZINC000546179491 940722398 /nfs/dbraw/zinc/72/23/98/940722398.db2.gz RGFIXJGALPAFSV-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CCSCc1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)n1 ZINC000546423474 940816729 /nfs/dbraw/zinc/81/67/29/940816729.db2.gz MHCHMCADYUCLRZ-UHFFFAOYSA-N -1 1 407.492 4.238 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc([C@H]3CCCO3)no2)cc1 ZINC000546474910 940830309 /nfs/dbraw/zinc/83/03/09/940830309.db2.gz MHBJJJBUOTXDEU-MRXNPFEDSA-N -1 1 405.863 4.042 20 0 HIADMM Cc1ccc(-c2nc(-c3ccon3)no2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000546487539 940833851 /nfs/dbraw/zinc/83/38/51/940833851.db2.gz YGJQRCSDOQOTMS-UHFFFAOYSA-N -1 1 416.846 4.154 20 0 HIADMM CCOc1cc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc(Cl)c1[O-] ZINC000546583454 940857493 /nfs/dbraw/zinc/85/74/93/940857493.db2.gz VGRHHYHIRSHDKJ-UHFFFAOYSA-N -1 1 406.847 4.078 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000546671249 940867826 /nfs/dbraw/zinc/86/78/26/940867826.db2.gz MKENHJNRSTYSSK-RTWAWAEBSA-N -1 1 410.470 4.369 20 0 HIADMM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(I)c([O-])c1 ZINC000546869110 940898554 /nfs/dbraw/zinc/89/85/54/940898554.db2.gz OWTAKJXSPZOTDN-UHFFFAOYSA-N -1 1 420.206 4.268 20 0 HIADMM Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000546876423 940899474 /nfs/dbraw/zinc/89/94/74/940899474.db2.gz CSKVVBNKFNKZRG-MRXNPFEDSA-N -1 1 424.282 4.093 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(CC(F)(F)F)no3)c2)c1 ZINC000546993371 940946936 /nfs/dbraw/zinc/94/69/36/940946936.db2.gz CCEZKXFWIBIEMO-UHFFFAOYSA-N -1 1 411.405 4.259 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc(Cl)c1[O-] ZINC000547258417 941045937 /nfs/dbraw/zinc/04/59/37/941045937.db2.gz HQZDOISOYKVJNX-INIZCTEOSA-N -1 1 412.877 4.207 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000547261379 941046432 /nfs/dbraw/zinc/04/64/32/941046432.db2.gz SEKDMYRRCWBEGI-MRXNPFEDSA-N -1 1 405.853 4.461 20 0 HIADMM CCOc1cc(C(=O)N2CCC(OCCc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000547270877 941049527 /nfs/dbraw/zinc/04/95/27/941049527.db2.gz QNUSMBKNUOBEGG-UHFFFAOYSA-N -1 1 403.906 4.308 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)C1(C)CCCCC1 ZINC000547708156 941072981 /nfs/dbraw/zinc/07/29/81/941072981.db2.gz IKFZUMNFUQRWLZ-UHFFFAOYSA-N -1 1 400.544 4.416 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2ccc(C)c3ncccc23)c(SCCC(=O)[O-])c1 ZINC000547881814 941079445 /nfs/dbraw/zinc/07/94/45/941079445.db2.gz FJNNMVIAVSYVLV-UHFFFAOYSA-N -1 1 416.524 4.219 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000548946579 941131946 /nfs/dbraw/zinc/13/19/46/941131946.db2.gz LSTNHNQJCCVSMA-UHFFFAOYSA-N -1 1 422.847 4.117 20 0 HIADMM O=S(=O)([N-]Cc1ccc(OC(F)F)c(F)c1)c1cc(Cl)sc1Cl ZINC000549531413 941198291 /nfs/dbraw/zinc/19/82/91/941198291.db2.gz IWDQBOPJZYWAQU-UHFFFAOYSA-N -1 1 406.234 4.274 20 0 HIADMM CCOc1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000550097855 941283965 /nfs/dbraw/zinc/28/39/65/941283965.db2.gz XFMSZGNOJREENU-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM CC(=O)N[C@@H](CC(=O)Nc1c([O-])cc(Br)cc1Cl)c1ccccc1 ZINC000552027012 941569896 /nfs/dbraw/zinc/56/98/96/941569896.db2.gz QOQGWFQIMHVBMR-AWEZNQCLSA-N -1 1 411.683 4.014 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C(C)C)C3CCCC3)c2)cc1 ZINC000552109741 941586706 /nfs/dbraw/zinc/58/67/06/941586706.db2.gz FPJNRMWQVOKTCY-UHFFFAOYSA-N -1 1 416.543 4.289 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cnc([C@H]2CCCO2)s1 ZINC000552197824 941600212 /nfs/dbraw/zinc/60/02/12/941600212.db2.gz UTMFFUALJJDWQB-SNVBAGLBSA-N -1 1 403.685 4.368 20 0 HIADMM CCN(C)C(=O)c1cccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000552206498 941602263 /nfs/dbraw/zinc/60/22/63/941602263.db2.gz XORAKMDBJRVGBS-UHFFFAOYSA-N -1 1 411.683 4.152 20 0 HIADMM COCCOc1cccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000552209732 941603829 /nfs/dbraw/zinc/60/38/29/941603829.db2.gz UODIIFXBMBMBOP-UHFFFAOYSA-N -1 1 400.656 4.086 20 0 HIADMM O=C1NCc2c1cccc2[N-]S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000554687454 942199544 /nfs/dbraw/zinc/19/95/44/942199544.db2.gz UHXBJAYBUDXEKL-UHFFFAOYSA-N -1 1 414.870 4.177 20 0 HIADMM Cc1occc1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000555020114 942359361 /nfs/dbraw/zinc/35/93/61/942359361.db2.gz LBQAMHWKCQJQNC-UHFFFAOYSA-N -1 1 417.393 4.384 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(CSCC)no3)cc2)cc1 ZINC000555117116 942389539 /nfs/dbraw/zinc/38/95/39/942389539.db2.gz ORUQRUNNYDKBBF-UHFFFAOYSA-N -1 1 419.528 4.189 20 0 HIADMM O=C(c1ccc(F)cc1)C1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000555317096 942474355 /nfs/dbraw/zinc/47/43/55/942474355.db2.gz NGOJZZHXIMKTGY-UHFFFAOYSA-N -1 1 412.848 4.468 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000556846016 942938859 /nfs/dbraw/zinc/93/88/59/942938859.db2.gz VQMKKYNQTIHHHU-RYUDHWBXSA-N -1 1 424.678 4.322 20 0 HIADMM Cc1cccn(Cc2c(F)cccc2[N-]S(=O)(=O)c2ccc3ccccc3c2)c1=O ZINC000558047544 943365965 /nfs/dbraw/zinc/36/59/65/943365965.db2.gz OFWKGCNEDLFSBR-UHFFFAOYSA-N -1 1 422.481 4.298 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCc3cc(F)ccc32)c1 ZINC000558743893 943638024 /nfs/dbraw/zinc/63/80/24/943638024.db2.gz QATRZUVUNJTBEQ-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)c[nH]2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000558808008 943672193 /nfs/dbraw/zinc/67/21/93/943672193.db2.gz ROQPIKVLOKIXRI-UHFFFAOYSA-N -1 1 407.854 4.169 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)c3ccccn3)ccc2C)c1 ZINC000559261104 943887324 /nfs/dbraw/zinc/88/73/24/943887324.db2.gz KVCZSHGYJKNHBU-KRWDZBQOSA-N -1 1 409.511 4.241 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc[nH]c1C1CC1 ZINC000559495856 943982909 /nfs/dbraw/zinc/98/29/09/943982909.db2.gz PCDSKTWJZKPIJK-UHFFFAOYSA-N -1 1 417.437 4.223 20 0 HIADMM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000559584331 944011936 /nfs/dbraw/zinc/01/19/36/944011936.db2.gz CHGRFHWDBRUFIJ-WBMJQRKESA-N -1 1 406.433 4.388 20 0 HIADMM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)OC)c(F)cc2F)c1 ZINC000560006409 944127344 /nfs/dbraw/zinc/12/73/44/944127344.db2.gz PHTOWTSXLUCEFD-UHFFFAOYSA-N -1 1 403.834 4.158 20 0 HIADMM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 ZINC000560472147 944235271 /nfs/dbraw/zinc/23/52/71/944235271.db2.gz MIDJIOLKOUEJTB-OAHLLOKOSA-N -1 1 400.283 4.142 20 0 HIADMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000560975424 944383038 /nfs/dbraw/zinc/38/30/38/944383038.db2.gz YMWVZDXSRFQKRK-UHFFFAOYSA-N -1 1 410.430 4.065 20 0 HIADMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(CC(=O)OC)cc3)ccc21 ZINC000561496893 944635937 /nfs/dbraw/zinc/63/59/37/944635937.db2.gz BTBLXMYAYIMXNX-UHFFFAOYSA-N -1 1 422.506 4.331 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCCSC1)c1ccc(Br)c(Cl)c1Cl ZINC000561558541 944674004 /nfs/dbraw/zinc/67/40/04/944674004.db2.gz YOOOMHZNLIZRLZ-QMMMGPOBSA-N -1 1 419.193 4.177 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000561883486 944835444 /nfs/dbraw/zinc/83/54/44/944835444.db2.gz FYFOHFMDEIFXNV-OAHLLOKOSA-N -1 1 405.951 4.448 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000561883485 944835617 /nfs/dbraw/zinc/83/56/17/944835617.db2.gz FYFOHFMDEIFXNV-HNNXBMFYSA-N -1 1 405.951 4.448 20 0 HIADMM CC[C@@H]1CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000561942269 944869202 /nfs/dbraw/zinc/86/92/02/944869202.db2.gz PIQCVRXRHDRPHO-CQSZACIVSA-N -1 1 413.326 4.419 20 0 HIADMM Cc1ccc(NC(=O)C2(CNC(=O)c3c(F)ccc([O-])c3F)CCCC2)cc1C ZINC000561974075 944882066 /nfs/dbraw/zinc/88/20/66/944882066.db2.gz MQOHLSMXZYAPTO-UHFFFAOYSA-N -1 1 402.441 4.216 20 0 HIADMM Cc1ccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)cn1 ZINC000562196263 945014580 /nfs/dbraw/zinc/01/45/80/945014580.db2.gz LKPJPLFPRMWAPT-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)cc1 ZINC000564122145 945388279 /nfs/dbraw/zinc/38/82/79/945388279.db2.gz OLXBPSCDKXEQAL-ONEGZZNKSA-N -1 1 409.305 4.241 20 0 HIADMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000564492980 945623037 /nfs/dbraw/zinc/62/30/37/945623037.db2.gz UNXCHSGNBUYTCF-UHFFFAOYSA-N -1 1 406.507 4.151 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)c1 ZINC000564563382 945679795 /nfs/dbraw/zinc/67/97/95/945679795.db2.gz VNPHZSLPTBSBNW-UHFFFAOYSA-N -1 1 408.951 4.259 20 0 HIADMM CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000564685056 945728784 /nfs/dbraw/zinc/72/87/84/945728784.db2.gz IRWBZAXTUPIGGM-UHFFFAOYSA-N -1 1 416.543 4.429 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ccc(Cl)cn1 ZINC000565102218 945774564 /nfs/dbraw/zinc/77/45/64/945774564.db2.gz CSXQCEURUIGNDE-LURJTMIESA-N -1 1 416.149 4.252 20 0 HIADMM C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000567091760 946241071 /nfs/dbraw/zinc/24/10/71/946241071.db2.gz DFZPFMIHUONEIF-INIZCTEOSA-N -1 1 418.534 4.254 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2N2CCCCC2)cc1 ZINC000567804124 946417508 /nfs/dbraw/zinc/41/75/08/946417508.db2.gz PKFKZAVFPUUUEB-UHFFFAOYSA-N -1 1 423.485 4.104 20 0 HIADMM O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000569091557 946816201 /nfs/dbraw/zinc/81/62/01/946816201.db2.gz YHNNPOOCBQHAFR-UHFFFAOYSA-N -1 1 417.387 4.481 20 0 HIADMM CCN(CCC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000569280837 946848160 /nfs/dbraw/zinc/84/81/60/946848160.db2.gz SBADVZIIFSHSCE-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)ccc1C(=O)NC(C)C ZINC000571848034 947804476 /nfs/dbraw/zinc/80/44/76/947804476.db2.gz SMOZLWGBTHPKFB-UHFFFAOYSA-N -1 1 414.449 4.261 20 0 HIADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1cc(Cl)ccc1Br ZINC000572022595 947829299 /nfs/dbraw/zinc/82/92/99/947829299.db2.gz LAGPGIQLITYKGF-UHFFFAOYSA-N -1 1 404.717 4.284 20 0 HIADMM Cc1cccn(Cc2c(F)cccc2[N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1=O ZINC000572277585 947874319 /nfs/dbraw/zinc/87/43/19/947874319.db2.gz XNXYSNWDYLGTRS-UHFFFAOYSA-N -1 1 422.428 4.083 20 0 HIADMM Cc1cccc(N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000572321531 947883463 /nfs/dbraw/zinc/88/34/63/947883463.db2.gz UCETUUNEXUJKIN-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM CCSc1cccc(Br)c1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000572569874 947951719 /nfs/dbraw/zinc/95/17/19/947951719.db2.gz YYPWGOHVDUTKNE-UHFFFAOYSA-N -1 1 407.742 4.410 20 0 HIADMM Cc1ocnc1-c1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000572824833 948019028 /nfs/dbraw/zinc/01/90/28/948019028.db2.gz DIYIYVGKCVWBGH-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(c1nccs1)C2)c1cccc2cnccc21 ZINC000573508629 948222733 /nfs/dbraw/zinc/22/27/33/948222733.db2.gz CYKRMXAXFZFPCU-UHFFFAOYSA-N -1 1 408.508 4.012 20 0 HIADMM O=C(c1c(F)cccc1Sc1ccc(Cl)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000573529500 948233180 /nfs/dbraw/zinc/23/31/80/948233180.db2.gz RQHMAIOKDJDADK-GFCCVEGCSA-N -1 1 417.897 4.163 20 0 HIADMM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000573590856 948244536 /nfs/dbraw/zinc/24/45/36/948244536.db2.gz QLSULQTVEKQFKS-ZDUSSCGKSA-N -1 1 402.210 4.306 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2Nc2ccc(F)cc2)c[nH]1 ZINC000573596039 948246132 /nfs/dbraw/zinc/24/61/32/948246132.db2.gz NPCMYSNJQIBZAS-UHFFFAOYSA-N -1 1 409.826 4.050 20 0 HIADMM [O-]c1ccc(-c2noc(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1F ZINC000573787084 948298254 /nfs/dbraw/zinc/29/82/54/948298254.db2.gz VOLGMDBFSGTBIW-UHFFFAOYSA-N -1 1 408.355 4.379 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc(Cl)c1[O-] ZINC000435961590 861222710 /nfs/dbraw/zinc/22/27/10/861222710.db2.gz GPJWGPVWGFKJTG-SWLSCSKDSA-N -1 1 410.695 4.493 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1Br ZINC000436018726 861310037 /nfs/dbraw/zinc/31/00/37/861310037.db2.gz UMYFOUFEPSEXSH-UHFFFAOYSA-N -1 1 411.321 4.332 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(OC)cc1Br ZINC000436024865 861317348 /nfs/dbraw/zinc/31/73/48/861317348.db2.gz KAWYECIMJNUCQF-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000436129942 861419487 /nfs/dbraw/zinc/41/94/87/861419487.db2.gz JTVHQHIGMNJVCE-UHFFFAOYSA-N -1 1 423.294 4.968 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1nc(C2CCCCC2)no1 ZINC000436185252 861485606 /nfs/dbraw/zinc/48/56/06/861485606.db2.gz NOOYMKMMHNAUHZ-JTQLQIEISA-N -1 1 421.416 4.315 20 0 HIADMM CCc1cc(=O)[n-]c(SCc2ccnc(-c3ccc(Br)cc3)n2)n1 ZINC000436203989 861504981 /nfs/dbraw/zinc/50/49/81/861504981.db2.gz LEDVYJIVZGTFGV-UHFFFAOYSA-N -1 1 403.305 4.256 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 ZINC000436204813 861505317 /nfs/dbraw/zinc/50/53/17/861505317.db2.gz BRJOSGVQGXSWFY-UHFFFAOYSA-N -1 1 411.449 4.047 20 0 HIADMM CCc1cc2c(COC(=O)c3ccccc3Br)cc(=O)oc2cc1[O-] ZINC000005691673 845136534 /nfs/dbraw/zinc/13/65/34/845136534.db2.gz FEDAWTAQENGVEQ-UHFFFAOYSA-N -1 1 403.228 4.181 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000006178349 845181890 /nfs/dbraw/zinc/18/18/90/845181890.db2.gz WZGMHQALTMFECY-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1cccc(Br)c1 ZINC000007055687 845242988 /nfs/dbraw/zinc/24/29/88/845242988.db2.gz AWXCUXBHCZWXDO-UHFFFAOYSA-N -1 1 410.289 4.291 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC000007109406 845254913 /nfs/dbraw/zinc/25/49/13/845254913.db2.gz HRCKIRUIWOITFR-HNNXBMFYSA-N -1 1 424.588 4.078 20 0 HIADMM Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007418195 845326585 /nfs/dbraw/zinc/32/65/85/845326585.db2.gz SXNCFXHJPCGUPU-UHFFFAOYSA-N -1 1 411.410 4.427 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)CCc3ccco3)c2)c1 ZINC000008010876 845463332 /nfs/dbraw/zinc/46/33/32/845463332.db2.gz GSPUEYKDPOBXSU-QGZVFWFLSA-N -1 1 412.511 4.140 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000008033262 845464237 /nfs/dbraw/zinc/46/42/37/845464237.db2.gz DZAKQWMZAPXMCM-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCCC[C@@H]3C)c2)cc1 ZINC000008033559 845465782 /nfs/dbraw/zinc/46/57/82/845465782.db2.gz PMDOCZPXOBJYEW-HRAATJIYSA-N -1 1 416.543 4.195 20 0 HIADMM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)cc1 ZINC000008352015 845518063 /nfs/dbraw/zinc/51/80/63/845518063.db2.gz BKWZABIXUUCROF-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc2c(s1)-c1ccccc1OC2 ZINC000009816493 845594535 /nfs/dbraw/zinc/59/45/35/845594535.db2.gz HWPDEUGRTRVBFW-UHFFFAOYSA-N -1 1 406.415 4.477 20 0 HIADMM Cc1cc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)c1 ZINC000009903856 845602535 /nfs/dbraw/zinc/60/25/35/845602535.db2.gz MCEKECXKOWTXLY-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM Cc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000010555131 845674163 /nfs/dbraw/zinc/67/41/63/845674163.db2.gz TUORGDPHSOHNJE-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM Cc1csc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1 ZINC000010555059 845674689 /nfs/dbraw/zinc/67/46/89/845674689.db2.gz GGHNXZXXGHEGJM-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM Cc1cnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)s1 ZINC000010625065 845682463 /nfs/dbraw/zinc/68/24/63/845682463.db2.gz NNUVKCRQSMLEHO-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000011760807 845831110 /nfs/dbraw/zinc/83/11/10/845831110.db2.gz ZJANYDTVVUAMIN-UHFFFAOYSA-N -1 1 410.499 4.106 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCc1ccc(C(F)(F)F)cc1 ZINC000012624244 845880176 /nfs/dbraw/zinc/88/01/76/845880176.db2.gz KTNPXHINLUGJRC-UHFFFAOYSA-N -1 1 412.462 4.394 20 0 HIADMM COc1cc2c(cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)oc1ccccc12 ZINC000013348992 845915095 /nfs/dbraw/zinc/91/50/95/845915095.db2.gz BBHNPNPZMTWXTH-UHFFFAOYSA-N -1 1 411.435 4.402 20 0 HIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000015412040 846045507 /nfs/dbraw/zinc/04/55/07/846045507.db2.gz LSNPZXBRZSJBQA-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1F ZINC000015434005 846048507 /nfs/dbraw/zinc/04/85/07/846048507.db2.gz WWVXTOJOBQGDKQ-GJZGRUSLSA-N -1 1 404.507 4.053 20 0 HIADMM CC(C)CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000015499824 846053875 /nfs/dbraw/zinc/05/38/75/846053875.db2.gz YALQRHZBZBLUOY-UHFFFAOYSA-N -1 1 414.449 4.282 20 0 HIADMM CC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000015542469 846061122 /nfs/dbraw/zinc/06/11/22/846061122.db2.gz PKYYOIVLRYHTAU-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1 ZINC000015588687 846068465 /nfs/dbraw/zinc/06/84/65/846068465.db2.gz SKLQQOKAWNGGAU-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM O=C(NC1CCCCCC1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000015617701 846074015 /nfs/dbraw/zinc/07/40/15/846074015.db2.gz PGQVWPSSSNYAOG-UHFFFAOYSA-N -1 1 408.470 4.218 20 0 HIADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015797290 846091695 /nfs/dbraw/zinc/09/16/95/846091695.db2.gz KVAMVZDGWDYFTB-YJYMSZOUSA-N -1 1 408.470 4.074 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000015797327 846092264 /nfs/dbraw/zinc/09/22/64/846092264.db2.gz HJHDOMASZDASLY-AUUYWEPGSA-N -1 1 404.507 4.243 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c(O)c1 ZINC000015923018 846104033 /nfs/dbraw/zinc/10/40/33/846104033.db2.gz SKYBTWLXOSRYNA-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000015950439 846104245 /nfs/dbraw/zinc/10/42/45/846104245.db2.gz ONTARNWYAWTJFD-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000016148115 846130778 /nfs/dbraw/zinc/13/07/78/846130778.db2.gz LEJGNFPTNNPAIS-UHFFFAOYSA-N -1 1 423.101 4.460 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1ccoc1 ZINC000016225552 846139560 /nfs/dbraw/zinc/13/95/60/846139560.db2.gz JLIDRADGXSVGLQ-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 ZINC000017297813 846241842 /nfs/dbraw/zinc/24/18/42/846241842.db2.gz CSMPFTMFFSIBGC-UHFFFAOYSA-N -1 1 407.326 4.273 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1 ZINC000017320028 846245317 /nfs/dbraw/zinc/24/53/17/846245317.db2.gz FKFRDHZWRMFCQR-UHFFFAOYSA-N -1 1 409.554 4.143 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000017334731 846247269 /nfs/dbraw/zinc/24/72/69/846247269.db2.gz VIHKRNOOSIOJBY-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000017357111 846249132 /nfs/dbraw/zinc/24/91/32/846249132.db2.gz PMAZCXAQLUHCTC-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM O=C(Nc1ccncc1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000017586175 846259537 /nfs/dbraw/zinc/25/95/37/846259537.db2.gz AINJZECXHRCYEX-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3cccs3)cc2)cc1C ZINC000017909925 846275692 /nfs/dbraw/zinc/27/56/92/846275692.db2.gz WBYQNGHXUPFABC-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000018026397 846287780 /nfs/dbraw/zinc/28/77/80/846287780.db2.gz AJARQVCCCVKYKT-UHFFFAOYSA-N -1 1 411.410 4.203 20 0 HIADMM C[C@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000018124862 846300124 /nfs/dbraw/zinc/30/01/24/846300124.db2.gz QTFYWFNGBIJNKH-MRXNPFEDSA-N -1 1 412.486 4.460 20 0 HIADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000018132038 846301335 /nfs/dbraw/zinc/30/13/35/846301335.db2.gz MUJIJMGNHUAWHY-JOCHJYFZSA-N -1 1 424.522 4.377 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccsc3)cc2)cc1C ZINC000018217010 846311551 /nfs/dbraw/zinc/31/15/51/846311551.db2.gz SJKAHFXVNFTUDC-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM O=C(OCc1nc2ccccc2s1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000019021854 846352384 /nfs/dbraw/zinc/35/23/84/846352384.db2.gz ZIWQGQRWOKXMHX-UHFFFAOYSA-N -1 1 424.503 4.454 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCc3ccccc3)c2)c1 ZINC000020815914 846390387 /nfs/dbraw/zinc/39/03/87/846390387.db2.gz IBEBMLWPYYVAAU-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1 ZINC000021004122 846399851 /nfs/dbraw/zinc/39/98/51/846399851.db2.gz FETUXWLJMPFHQM-UHFFFAOYSA-N -1 1 400.544 4.329 20 0 HIADMM O=C(Nc1cnc2ccccc2c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000021136325 846408973 /nfs/dbraw/zinc/40/89/73/846408973.db2.gz MJWAPGAOENTHHJ-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)n1 ZINC000021189663 846415030 /nfs/dbraw/zinc/41/50/30/846415030.db2.gz JLNLUFNVUSPJNG-UHFFFAOYSA-N -1 1 424.429 4.087 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1 ZINC000021864050 846504188 /nfs/dbraw/zinc/50/41/88/846504188.db2.gz DUXUMNSGZSEMEI-OAHLLOKOSA-N -1 1 424.309 4.441 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3cccc(Cl)c3Cl)s2)cc1 ZINC000021864127 846504346 /nfs/dbraw/zinc/50/43/46/846504346.db2.gz UYUOVCWRAGSLPF-CQSZACIVSA-N -1 1 424.309 4.441 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3cccc(Cl)c3C)s2)cc1 ZINC000021863909 846504751 /nfs/dbraw/zinc/50/47/51/846504751.db2.gz USTLPFDHDMZJSJ-INIZCTEOSA-N -1 1 403.891 4.096 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccsc3)c2)cc1F ZINC000021935872 846512441 /nfs/dbraw/zinc/51/24/41/846512441.db2.gz FDGIVBNSDPPZGJ-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM CCc1ccc(OCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000021985706 846517022 /nfs/dbraw/zinc/51/70/22/846517022.db2.gz KYKZIJOYEYIXOD-UHFFFAOYSA-N -1 1 420.490 4.336 20 0 HIADMM Cc1cccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1[N+](=O)[O-] ZINC000021994405 846517286 /nfs/dbraw/zinc/51/72/86/846517286.db2.gz JLRUMDFNJQAVBQ-UHFFFAOYSA-N -1 1 421.434 4.225 20 0 HIADMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000022348307 846559303 /nfs/dbraw/zinc/55/93/03/846559303.db2.gz IMYIEQNYGHSCTH-ORCRQEGFSA-N -1 1 406.251 4.027 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC[C@@H]3CC3(Cl)Cl)cc2)cc1 ZINC000022611318 846593433 /nfs/dbraw/zinc/59/34/33/846593433.db2.gz GIXUBWMYVWSEOY-AWEZNQCLSA-N -1 1 414.310 4.146 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc(C4CC4)cs3)cc2)cc1 ZINC000023135105 846664005 /nfs/dbraw/zinc/66/40/05/846664005.db2.gz CZWFVARZJPLTST-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM O=C(c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)N1CCCCCC1 ZINC000024153812 846795279 /nfs/dbraw/zinc/79/52/79/846795279.db2.gz LFEYPJLRIBADAK-UHFFFAOYSA-N -1 1 410.898 4.296 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)c(C)c2)cc1 ZINC000024818203 846872446 /nfs/dbraw/zinc/87/24/46/846872446.db2.gz GZXQGIXEKSUPGC-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM O=C(Nc1cnc2ccccc2c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000025531245 846993775 /nfs/dbraw/zinc/99/37/75/846993775.db2.gz FOIJDNUQBHCCQH-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM COc1ccc(C)cc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000025555028 847000980 /nfs/dbraw/zinc/00/09/80/847000980.db2.gz RBDALVCWPQPTHG-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000025718685 847026010 /nfs/dbraw/zinc/02/60/10/847026010.db2.gz OHVPKVJDWSLTJQ-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2)co1 ZINC000026540379 847166750 /nfs/dbraw/zinc/16/67/50/847166750.db2.gz TYIMYHCMPAMGLS-UHFFFAOYSA-N -1 1 413.499 4.435 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nnc(C(C)C)s3)c2)cc1 ZINC000026572774 847171999 /nfs/dbraw/zinc/17/19/99/847171999.db2.gz JKHJTRQNXIPQNW-UHFFFAOYSA-N -1 1 416.528 4.023 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4c[nH]nc43)ccc2C)cc1 ZINC000026871221 847211563 /nfs/dbraw/zinc/21/15/63/847211563.db2.gz BUCXAQIVBYFNRN-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000027697466 847339930 /nfs/dbraw/zinc/33/99/30/847339930.db2.gz YEPKGVREKRCSBF-FOIQADDNSA-N -1 1 404.507 4.325 20 0 HIADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C ZINC000028249113 847398146 /nfs/dbraw/zinc/39/81/46/847398146.db2.gz BYMAVAMKCUKYIG-UHFFFAOYSA-N -1 1 407.797 4.255 20 0 HIADMM CCCN(CC1CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000028494827 847427765 /nfs/dbraw/zinc/42/77/65/847427765.db2.gz BJHKRQWSQMLWAW-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM O=C(NCCCCc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000028785665 847460257 /nfs/dbraw/zinc/46/02/57/847460257.db2.gz ILFKMMDSCCLCAR-UHFFFAOYSA-N -1 1 408.523 4.240 20 0 HIADMM COc1ccc(C)cc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000029218410 847525968 /nfs/dbraw/zinc/52/59/68/847525968.db2.gz BDAJKAIKCURQCZ-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000029234734 847528997 /nfs/dbraw/zinc/52/89/97/847528997.db2.gz OPRALZMLKZGSFC-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c[nH]nc4c3)cc2)cc1C ZINC000029372473 847554188 /nfs/dbraw/zinc/55/41/88/847554188.db2.gz MUSUFPMPWOGNRD-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM COc1cc(NC(=O)c2ccccc2Oc2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000029968111 847661000 /nfs/dbraw/zinc/66/10/00/847661000.db2.gz OMZCRCFKGQWVBV-UHFFFAOYSA-N -1 1 412.467 4.111 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCC[C@H](C)C3)c2)cc1F ZINC000030015294 847670382 /nfs/dbraw/zinc/67/03/82/847670382.db2.gz UPLAPSGUVXHKSG-WMLDXEAASA-N -1 1 404.507 4.243 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(-c2nncs2)cc1 ZINC000436475403 861818839 /nfs/dbraw/zinc/81/88/39/861818839.db2.gz GMWVAJYMOQLNFH-UHFFFAOYSA-N -1 1 410.318 4.077 20 0 HIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1 ZINC000436477995 861818962 /nfs/dbraw/zinc/81/89/62/861818962.db2.gz KJZOJHXUYYHLPL-UHFFFAOYSA-N -1 1 416.421 4.196 20 0 HIADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000030382010 847709506 /nfs/dbraw/zinc/70/95/06/847709506.db2.gz XNKYBIHHDYMLSI-VBKZILBWSA-N -1 1 422.497 4.416 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)C(C)(C)C)c2)cc1 ZINC000030424465 847713636 /nfs/dbraw/zinc/71/36/36/847713636.db2.gz UDOPDCCFIJISPS-MRXNPFEDSA-N -1 1 418.559 4.393 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NNc3cccc(Cl)c3)c2)c1 ZINC000030574599 847739579 /nfs/dbraw/zinc/73/95/79/847739579.db2.gz UODGDOGUYBRNDF-UHFFFAOYSA-N -1 1 415.902 4.206 20 0 HIADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436511385 861831401 /nfs/dbraw/zinc/83/14/01/861831401.db2.gz JAIBTWXEIQQLOK-ZIAGYGMSSA-N -1 1 402.441 4.431 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)c1 ZINC000436505234 861828286 /nfs/dbraw/zinc/82/82/86/861828286.db2.gz MXOSLECKMDRMSZ-UHFFFAOYSA-N -1 1 422.412 4.131 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)c1 ZINC000436509006 861830287 /nfs/dbraw/zinc/83/02/87/861830287.db2.gz QPWAOGXNKDHHSR-UHFFFAOYSA-N -1 1 416.430 4.011 20 0 HIADMM O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436518737 861832073 /nfs/dbraw/zinc/83/20/73/861832073.db2.gz ZHVKQDFYAYMNIK-UHFFFAOYSA-N -1 1 407.445 4.111 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N(Cc1ccccc1)C1CC1 ZINC000031069938 847818019 /nfs/dbraw/zinc/81/80/19/847818019.db2.gz RYHHZNBGBUZXSL-UHFFFAOYSA-N -1 1 406.507 4.292 20 0 HIADMM CC[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1nccs1 ZINC000436533906 861839323 /nfs/dbraw/zinc/83/93/23/861839323.db2.gz ZBAVTZUUTZIAJR-INIZCTEOSA-N -1 1 417.437 4.260 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(CC(C)C)C(C)C)c([O-])c2)c1 ZINC000436530598 861837145 /nfs/dbraw/zinc/83/71/45/861837145.db2.gz BKDNYBNUWJXXRD-UHFFFAOYSA-N -1 1 414.502 4.168 20 0 HIADMM Cc1c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cnn1-c1cccc(Cl)c1 ZINC000031294421 847858947 /nfs/dbraw/zinc/85/89/47/847858947.db2.gz XUPPMBDKLGNLGH-UHFFFAOYSA-N -1 1 410.813 4.003 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000436530800 861838376 /nfs/dbraw/zinc/83/83/76/861838376.db2.gz CNAMQBFRRWEBCE-ZDUSSCGKSA-N -1 1 401.825 4.255 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 ZINC000031383002 847872727 /nfs/dbraw/zinc/87/27/27/847872727.db2.gz FYTOPGYBXFFJCI-DYESRHJHSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCCC[C@H]3C)c2)c1 ZINC000031382836 847872890 /nfs/dbraw/zinc/87/28/90/847872890.db2.gz CXBWEAMUWUVHSI-DYESRHJHSA-N -1 1 400.544 4.447 20 0 HIADMM C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436536692 861841271 /nfs/dbraw/zinc/84/12/71/861841271.db2.gz BOYFQRLXWQMKQB-ZDUSSCGKSA-N -1 1 411.408 4.151 20 0 HIADMM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436539851 861842137 /nfs/dbraw/zinc/84/21/37/861842137.db2.gz NCVXZWDSNQCWCB-UHFFFAOYSA-N -1 1 424.241 4.168 20 0 HIADMM COC(=O)c1occc1CN(C(=O)c1ccc(Cl)cc1[O-])[C@H](C)c1ccccn1 ZINC000436539089 861842242 /nfs/dbraw/zinc/84/22/42/861842242.db2.gz XTLWWOZECJVIMH-CYBMUJFWSA-N -1 1 414.845 4.224 20 0 HIADMM CCCN(C(=O)c1ccc2ccccc2c1[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000436547031 861845574 /nfs/dbraw/zinc/84/55/74/861845574.db2.gz IQYMRGKRIFQICW-UHFFFAOYSA-N -1 1 418.541 4.473 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000031721668 847938067 /nfs/dbraw/zinc/93/80/67/847938067.db2.gz GMZHBHUAUKCGMH-UHFFFAOYSA-N -1 1 413.948 4.166 20 0 HIADMM Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])n(C)n1 ZINC000436554013 861848877 /nfs/dbraw/zinc/84/88/77/861848877.db2.gz FWXWUWZPYMQZPS-UHFFFAOYSA-N -1 1 419.268 4.246 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000032086842 847986795 /nfs/dbraw/zinc/98/67/95/847986795.db2.gz JDMHLCPEUIQAML-UHFFFAOYSA-N -1 1 421.584 4.402 20 0 HIADMM CC(C)[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CCS1 ZINC000436578972 861858472 /nfs/dbraw/zinc/85/84/72/861858472.db2.gz XXJLIPLVUZFCKY-IBGZPJMESA-N -1 1 420.481 4.136 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1)C1CC1 ZINC000032589641 848051021 /nfs/dbraw/zinc/05/10/21/848051021.db2.gz JZUGNPZVEYLQNH-UHFFFAOYSA-N -1 1 416.833 4.091 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)ccc1Br ZINC000032592774 848051427 /nfs/dbraw/zinc/05/14/27/848051427.db2.gz WCUDJZVVHAGHLX-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1C ZINC000032628026 848055512 /nfs/dbraw/zinc/05/55/12/848055512.db2.gz DTDBWECVEMLVEZ-UHFFFAOYSA-N -1 1 424.950 4.330 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000032631331 848056651 /nfs/dbraw/zinc/05/66/51/848056651.db2.gz PMUXIJLKGBOYOE-IBGZPJMESA-N -1 1 423.450 4.060 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436591177 861861437 /nfs/dbraw/zinc/86/14/37/861861437.db2.gz PPBNFCXFMUDOMS-BFUOFWGJSA-N -1 1 400.425 4.327 20 0 HIADMM CC(C)C1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1 ZINC000436592673 861862510 /nfs/dbraw/zinc/86/25/10/861862510.db2.gz XODINNVWILXCEL-UHFFFAOYSA-N -1 1 402.441 4.431 20 0 HIADMM COCCN(Cc1sccc1Br)C(=O)c1ccc(Cl)cc1[O-] ZINC000436599827 861864138 /nfs/dbraw/zinc/86/41/38/861864138.db2.gz DNMZVOPPXZMUKI-UHFFFAOYSA-N -1 1 404.713 4.158 20 0 HIADMM CC1(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCOCC1 ZINC000436599490 861864274 /nfs/dbraw/zinc/86/42/74/861864274.db2.gz CWHGJYGLYCGUSE-UHFFFAOYSA-N -1 1 423.296 4.250 20 0 HIADMM O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1cc(F)ccc1Sc1nc[nH]n1 ZINC000032932327 848093387 /nfs/dbraw/zinc/09/33/87/848093387.db2.gz HJGFMAOSGKRWQZ-BQYQJAHWSA-N -1 1 410.883 4.161 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N(CCO)Cc1cc(Br)ccc1F ZINC000436603132 861865990 /nfs/dbraw/zinc/86/59/90/861865990.db2.gz MEFNBDKIISWYKU-UHFFFAOYSA-N -1 1 418.262 4.082 20 0 HIADMM COc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000033067368 848105367 /nfs/dbraw/zinc/10/53/67/848105367.db2.gz SNLOTHLPNGYYPJ-UHFFFAOYSA-N -1 1 424.522 4.227 20 0 HIADMM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000033098037 848108366 /nfs/dbraw/zinc/10/83/66/848108366.db2.gz OKVOJWJTIQPWPN-YOEHRIQHSA-N -1 1 422.497 4.416 20 0 HIADMM CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436607090 861867521 /nfs/dbraw/zinc/86/75/21/861867521.db2.gz RRODHUOZXALRBT-QFIPXVFZSA-N -1 1 420.484 4.338 20 0 HIADMM O=C(NCCc1ccccc1Cl)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436607831 861867599 /nfs/dbraw/zinc/86/75/99/861867599.db2.gz IXXKVWNIOURWPO-NRFANRHFSA-N -1 1 422.912 4.162 20 0 HIADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(F)c(F)c1 ZINC000036339490 848150461 /nfs/dbraw/zinc/15/04/61/848150461.db2.gz OWIGXDVQDKTFTF-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM C[C@H]1CCCC[C@H]1NC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000036845484 848168709 /nfs/dbraw/zinc/16/87/09/848168709.db2.gz DKNZHARQHRLYHV-HNAYVOBHSA-N -1 1 403.573 4.353 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cc(Br)cnc1Cl ZINC000041069715 848200788 /nfs/dbraw/zinc/20/07/88/848200788.db2.gz JZHSSOKSZNPWEY-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)C2CCC(OC(F)F)CC2)cc1[O-] ZINC000436641227 861879413 /nfs/dbraw/zinc/87/94/13/861879413.db2.gz MGSGTOWWVWAROC-UHFFFAOYSA-N -1 1 410.461 4.191 20 0 HIADMM O=C(COc1ccsc1Cl)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436643136 861879849 /nfs/dbraw/zinc/87/98/49/861879849.db2.gz WFFFQLFLJHYUBR-UHFFFAOYSA-N -1 1 408.907 4.187 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c(C)c1OC ZINC000436661944 861886915 /nfs/dbraw/zinc/88/69/15/861886915.db2.gz XRUFZLBFBPBHHN-UHFFFAOYSA-N -1 1 412.486 4.033 20 0 HIADMM O=C(NCc1ccc(C(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436661876 861886027 /nfs/dbraw/zinc/88/60/27/861886027.db2.gz XLEAAFWBQCBCLA-FQEVSTJZSA-N -1 1 424.447 4.404 20 0 HIADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(I)ccc1[O-] ZINC000436668189 861888561 /nfs/dbraw/zinc/88/85/61/861888561.db2.gz AJJYJHAZYOATCB-OAHLLOKOSA-N -1 1 410.255 4.005 20 0 HIADMM CC[C@@H](C)n1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1C ZINC000436673695 861890162 /nfs/dbraw/zinc/89/01/62/861890162.db2.gz FYKYAQNKYNNJDS-VFNWGFHPSA-N -1 1 420.513 4.265 20 0 HIADMM O=C(c1cc(I)ccc1[O-])N(Cc1ccco1)Cc1ccco1 ZINC000436675176 861890569 /nfs/dbraw/zinc/89/05/69/861890569.db2.gz VACPYGNAOLWWJA-UHFFFAOYSA-N -1 1 423.206 4.025 20 0 HIADMM O=C(NCCCn1ccc2ccccc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042821109 848357694 /nfs/dbraw/zinc/35/76/94/848357694.db2.gz SFRYMBINFAYSKR-UHFFFAOYSA-N -1 1 405.498 4.042 20 0 HIADMM CCOc1ccc(C2(CNC(=O)c3ccc4ccccc4c3[O-])CCOCC2)cc1 ZINC000436710524 861898948 /nfs/dbraw/zinc/89/89/48/861898948.db2.gz VLAYWDVALJMVBX-UHFFFAOYSA-N -1 1 405.494 4.422 20 0 HIADMM CC(=O)c1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000436712474 861900698 /nfs/dbraw/zinc/90/06/98/861900698.db2.gz NTUQNEFBCTWTLN-NRFANRHFSA-N -1 1 420.440 4.130 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(F)c(F)c2)cc1 ZINC000044440017 848559108 /nfs/dbraw/zinc/55/91/08/848559108.db2.gz WSMNGYWGJDDYSV-UHFFFAOYSA-N -1 1 402.470 4.243 20 0 HIADMM CCOCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000044870736 848610678 /nfs/dbraw/zinc/61/06/78/848610678.db2.gz SLUHCSHSZGFNLF-UHFFFAOYSA-N -1 1 410.923 4.204 20 0 HIADMM COc1ccc([C@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C(C)C)cc1 ZINC000045148820 848639050 /nfs/dbraw/zinc/63/90/50/848639050.db2.gz YFZFEEOZUVRMIS-JOCHJYFZSA-N -1 1 410.514 4.402 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(Oc2ccccc2Cl)CC1 ZINC000436741750 861925795 /nfs/dbraw/zinc/92/57/95/861925795.db2.gz VBEFOQGDMIZXOM-UHFFFAOYSA-N -1 1 410.695 4.492 20 0 HIADMM CCN(CCc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000045466473 848682380 /nfs/dbraw/zinc/68/23/80/848682380.db2.gz FSHIUZVBERALIO-UHFFFAOYSA-N -1 1 408.523 4.192 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000436749171 861932095 /nfs/dbraw/zinc/93/20/95/861932095.db2.gz IRULVUTXLUKTGY-NSHDSACASA-N -1 1 407.314 4.104 20 0 HIADMM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000045678669 848711640 /nfs/dbraw/zinc/71/16/40/848711640.db2.gz UKOHFHLCDKVGGL-UHFFFAOYSA-N -1 1 418.824 4.052 20 0 HIADMM O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436753881 861938321 /nfs/dbraw/zinc/93/83/21/861938321.db2.gz FVFCMOUDQFLRAT-GOSISDBHSA-N -1 1 405.454 4.098 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2ccc(F)cc2F)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436753930 861939207 /nfs/dbraw/zinc/93/92/07/861939207.db2.gz GCUQIBHSHGTZKR-UHFFFAOYSA-N -1 1 404.319 4.453 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000436757165 861944900 /nfs/dbraw/zinc/94/49/00/861944900.db2.gz HDHTYLNZPRYJGV-INIZCTEOSA-N -1 1 402.372 4.253 20 0 HIADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])c1 ZINC000436758181 861945559 /nfs/dbraw/zinc/94/55/59/861945559.db2.gz MEFBSHJVVPROQX-INIZCTEOSA-N -1 1 406.276 4.149 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3cc(F)ccc3C)c([O-])c2)c1 ZINC000436758847 861949318 /nfs/dbraw/zinc/94/93/18/861949318.db2.gz ZVSGEDYMDUTZTB-UHFFFAOYSA-N -1 1 424.428 4.362 20 0 HIADMM CN(C)c1ccccc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436761302 861952558 /nfs/dbraw/zinc/95/25/58/861952558.db2.gz JOCFPNMBXYTEPH-UHFFFAOYSA-N -1 1 411.408 4.241 20 0 HIADMM COCc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000046591994 848881785 /nfs/dbraw/zinc/88/17/85/848881785.db2.gz KHMFJQRYPMWPIW-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc(OC(F)F)c1 ZINC000046611618 848886067 /nfs/dbraw/zinc/88/60/67/848886067.db2.gz LREYKAUSCVVFPX-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611741 848886128 /nfs/dbraw/zinc/88/61/28/848886128.db2.gz KDSWUKYVMAPQLR-HNNXBMFYSA-N -1 1 414.458 4.033 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2CCC[C@H]2F)c([O-])c1)c1cccc(Br)c1 ZINC000436765957 861958036 /nfs/dbraw/zinc/95/80/36/861958036.db2.gz ARAJNTMABCYQME-CVEARBPZSA-N -1 1 421.266 4.027 20 0 HIADMM Cc1ccc(OCCCCNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000046783181 848933152 /nfs/dbraw/zinc/93/31/52/848933152.db2.gz VVPWXURWQQYNOG-UHFFFAOYSA-N -1 1 410.514 4.164 20 0 HIADMM CCOc1cc(-c2noc(COc3ccccc3OC)n2)cc(Br)c1[O-] ZINC000436769150 861959544 /nfs/dbraw/zinc/95/95/44/861959544.db2.gz LCXSIWAHTXPAIH-UHFFFAOYSA-N -1 1 421.247 4.191 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000436767672 861960248 /nfs/dbraw/zinc/96/02/48/861960248.db2.gz GYBQBNCSOWSARS-GFCCVEGCSA-N -1 1 420.309 4.118 20 0 HIADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(Br)ccc1[O-] ZINC000047277049 849019284 /nfs/dbraw/zinc/01/92/84/849019284.db2.gz CUMPLYFMNJUDHK-UHFFFAOYSA-N -1 1 414.303 4.250 20 0 HIADMM CCOc1cc(-c2noc(-c3cnc4ccccc4n3)n2)cc(Br)c1[O-] ZINC000436777475 861970935 /nfs/dbraw/zinc/97/09/35/861970935.db2.gz NSCPGTAKCNMMPI-UHFFFAOYSA-N -1 1 413.231 4.214 20 0 HIADMM N#C[C@H](C(=O)CCc1c[nH]c2ccccc12)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047361970 849032535 /nfs/dbraw/zinc/03/25/35/849032535.db2.gz IASVKYFMCPOSIK-MRXNPFEDSA-N -1 1 416.506 4.154 20 0 HIADMM N#C[C@H](C(=O)Cc1ccc2c(c1)CCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362028 849032580 /nfs/dbraw/zinc/03/25/80/849032580.db2.gz BYCUXAQIWBCYMQ-GOSISDBHSA-N -1 1 417.534 4.161 20 0 HIADMM CCc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)sc1C ZINC000047424904 849045660 /nfs/dbraw/zinc/04/56/60/849045660.db2.gz RXHUARLEEHIQNO-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1cccs1)c1ccc(F)cc1 ZINC000047671540 849090518 /nfs/dbraw/zinc/09/05/18/849090518.db2.gz UPZUXTASLKDNPU-INIZCTEOSA-N -1 1 410.423 4.002 20 0 HIADMM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1C ZINC000436792249 861987332 /nfs/dbraw/zinc/98/73/32/861987332.db2.gz MRBCPJHUWLEBGH-UHFFFAOYSA-N -1 1 416.421 4.123 20 0 HIADMM Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc(C(F)(F)F)cc2[O-])o1 ZINC000436809201 861996252 /nfs/dbraw/zinc/99/62/52/861996252.db2.gz RUFVECXTKVOIOO-MRXNPFEDSA-N -1 1 403.360 4.042 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436817520 862000568 /nfs/dbraw/zinc/00/05/68/862000568.db2.gz RRALJJVLRATHQR-HXUWFJFHSA-N -1 1 412.436 4.327 20 0 HIADMM O=C1CCCCN1Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000050534302 849392235 /nfs/dbraw/zinc/39/22/35/849392235.db2.gz FKJWSXYSIUALJP-UHFFFAOYSA-N -1 1 413.326 4.307 20 0 HIADMM Cc1ccc(C[C@@H]2CCCN(C(=O)Cn3c(=S)[n-]nc3-c3cccs3)C2)cc1 ZINC000050768313 849409724 /nfs/dbraw/zinc/40/97/24/849409724.db2.gz XCJNFLVMZQVWTB-KRWDZBQOSA-N -1 1 412.584 4.459 20 0 HIADMM O=C(NCc1cccc2cc[nH]c21)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436841429 862019832 /nfs/dbraw/zinc/01/98/32/862019832.db2.gz RUZULZBLONPKHI-UHFFFAOYSA-N -1 1 421.403 4.334 20 0 HIADMM O=C(CCc1ccco1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000052932044 849645335 /nfs/dbraw/zinc/64/53/35/849645335.db2.gz RJQMCJXCPOZZMY-UHFFFAOYSA-N -1 1 404.875 4.305 20 0 HIADMM CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436869414 862046292 /nfs/dbraw/zinc/04/62/92/862046292.db2.gz DDOUOUSUPRIWJD-QGZVFWFLSA-N -1 1 413.861 4.472 20 0 HIADMM [O-]c1ccc(-c2noc([C@H](c3cc(Cl)cc(Cl)c3)N3CCOCC3)n2)cc1F ZINC000436872300 862048138 /nfs/dbraw/zinc/04/81/38/862048138.db2.gz KDZOGCLAYDQCBE-KRWDZBQOSA-N -1 1 424.259 4.310 20 0 HIADMM CCOc1cc(-c2noc([C@H](C)n3ccc4ccccc4c3=O)n2)cc(Cl)c1[O-] ZINC000436875115 862051614 /nfs/dbraw/zinc/05/16/14/862051614.db2.gz WHGUAQIKRAVRCG-LBPRGKRZSA-N -1 1 411.845 4.419 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=S)Nc1ccc2c(c1)CCC2 ZINC000053515971 849725453 /nfs/dbraw/zinc/72/54/53/849725453.db2.gz AITVKKVYBFHZSY-UHFFFAOYSA-N -1 1 408.552 4.239 20 0 HIADMM COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436872637 862049640 /nfs/dbraw/zinc/04/96/40/862049640.db2.gz KSQSFFXPWIGOBI-YWZLYKJASA-N -1 1 422.416 4.021 20 0 HIADMM CCOc1cc(-c2noc(C[C@H]3CCC[C@@H](OC)C3)n2)cc(Br)c1[O-] ZINC000436872400 862050746 /nfs/dbraw/zinc/05/07/46/862050746.db2.gz MPYYDVZQQDPNRX-WCQYABFASA-N -1 1 411.296 4.351 20 0 HIADMM CCOc1cc(-c2noc(C(C)(C)COCC(F)F)n2)cc(Br)c1[O-] ZINC000436875856 862053028 /nfs/dbraw/zinc/05/30/28/862053028.db2.gz FUJNWGGUQHXUDH-UHFFFAOYSA-N -1 1 421.238 4.163 20 0 HIADMM COc1cc(-c2cc3[n-]c(-c4ccc(O)cc4)nc(=O)c3s2)cc(OC)c1OC ZINC000053853469 849768435 /nfs/dbraw/zinc/76/84/35/849768435.db2.gz FKGOWMHUHQBWDN-UHFFFAOYSA-N -1 1 410.451 4.050 20 0 HIADMM Cc1csc(-c2nc(-c3ccc([O-])cc3F)no2)c1I ZINC000436878635 862056260 /nfs/dbraw/zinc/05/62/60/862056260.db2.gz KRJWKYSRLWAVGZ-UHFFFAOYSA-N -1 1 402.188 4.223 20 0 HIADMM COc1cc(-c2noc(CCCc3ccc(O)c(F)c3)n2)cc(Br)c1[O-] ZINC000436879385 862056727 /nfs/dbraw/zinc/05/67/27/862056727.db2.gz MXKNYGOZGBHDJY-UHFFFAOYSA-N -1 1 423.238 4.233 20 0 HIADMM COc1cc(-c2noc(-c3ccc(OC(C)C)cn3)n2)cc(Br)c1[O-] ZINC000436879827 862056906 /nfs/dbraw/zinc/05/69/06/862056906.db2.gz PBBBVCBESIGNMZ-UHFFFAOYSA-N -1 1 406.236 4.063 20 0 HIADMM COc1cc(-c2noc(COC(C)(C)C(F)(F)F)n2)cc(Br)c1[O-] ZINC000436878572 862057502 /nfs/dbraw/zinc/05/75/02/862057502.db2.gz KCNIRZUEKHLHGG-UHFFFAOYSA-N -1 1 411.174 4.071 20 0 HIADMM CCOc1cc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)ccc1OC ZINC000054034173 849803508 /nfs/dbraw/zinc/80/35/08/849803508.db2.gz NXNABHWWIGMSDE-UHFFFAOYSA-N -1 1 412.515 4.352 20 0 HIADMM [O-]c1ccc(F)cc1-c1nc(C2(c3ccc(Br)cc3)CCOCC2)no1 ZINC000436884749 862061060 /nfs/dbraw/zinc/06/10/60/862061060.db2.gz LZGSHRMGABGMEC-UHFFFAOYSA-N -1 1 419.250 4.440 20 0 HIADMM [O-]c1ccc(-c2nc(C3(c4ccc(Br)cc4)CCOCC3)no2)c(F)c1 ZINC000436883093 862061596 /nfs/dbraw/zinc/06/15/96/862061596.db2.gz BEFYRBRTAODHBF-UHFFFAOYSA-N -1 1 419.250 4.440 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1C ZINC000054293999 849840977 /nfs/dbraw/zinc/84/09/77/849840977.db2.gz CXPBILRKXDJRRO-UHFFFAOYSA-N -1 1 416.499 4.093 20 0 HIADMM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000054294481 849841126 /nfs/dbraw/zinc/84/11/26/849841126.db2.gz JWGXNSLTSXAZFC-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436898726 862074316 /nfs/dbraw/zinc/07/43/16/862074316.db2.gz BPUNETCLUVOSLO-UHFFFAOYSA-N -1 1 408.841 4.428 20 0 HIADMM CC(C)c1nnc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])s1 ZINC000055191621 849984625 /nfs/dbraw/zinc/98/46/25/849984625.db2.gz VTNNXIMETWQARE-UHFFFAOYSA-N -1 1 418.425 4.150 20 0 HIADMM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315102 849999536 /nfs/dbraw/zinc/99/95/36/849999536.db2.gz QIFYPKORFKXLHP-HNNXBMFYSA-N -1 1 401.890 4.243 20 0 HIADMM CN(Cc1cc(F)cc(F)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436910464 862087171 /nfs/dbraw/zinc/08/71/71/862087171.db2.gz OEMATKQTNFQVPV-NRFANRHFSA-N -1 1 424.447 4.087 20 0 HIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000055615724 850079149 /nfs/dbraw/zinc/07/91/49/850079149.db2.gz QOZOABHWZXGMFO-UHFFFAOYSA-N -1 1 414.449 4.211 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)c(C)c3)nc2)cc1 ZINC000055621584 850080128 /nfs/dbraw/zinc/08/01/28/850080128.db2.gz LRDSIMBLPIITJC-UHFFFAOYSA-N -1 1 411.483 4.250 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)Nc3ccccc3)c2)cc1C ZINC000055644144 850090076 /nfs/dbraw/zinc/09/00/76/850090076.db2.gz PNWQRCVMMWPTAH-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1)N1CCCCC1 ZINC000055650833 850096597 /nfs/dbraw/zinc/09/65/97/850096597.db2.gz QCSPIDCMJZHGEB-UHFFFAOYSA-N -1 1 413.326 4.420 20 0 HIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)c1C ZINC000055674307 850105913 /nfs/dbraw/zinc/10/59/13/850105913.db2.gz IKRCXDOSNSCADI-UHFFFAOYSA-N -1 1 411.321 4.134 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@@H](C3CC3)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436924553 862105861 /nfs/dbraw/zinc/10/58/61/862105861.db2.gz WXACUYNPNSHJPL-CQSZACIVSA-N -1 1 400.425 4.185 20 0 HIADMM COc1ccc([C@@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccccc2Cl)c(C)c1 ZINC000436926917 862106019 /nfs/dbraw/zinc/10/60/19/862106019.db2.gz OVVFGVYSKJHOBV-OAQYLSRUSA-N -1 1 409.869 4.451 20 0 HIADMM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(C(=O)NC3CCCCC3)c([O-])c1)CC2 ZINC000436934380 862112516 /nfs/dbraw/zinc/11/25/16/862112516.db2.gz GFNMQVRZWHRWHV-LJQANCHMSA-N -1 1 408.498 4.132 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)c(F)c1 ZINC000056226167 850291271 /nfs/dbraw/zinc/29/12/71/850291271.db2.gz QEZTVDGTUGZTFB-UHFFFAOYSA-N -1 1 402.422 4.042 20 0 HIADMM COc1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000056891513 850510611 /nfs/dbraw/zinc/51/06/11/850510611.db2.gz DCIVRWWVGQBJLG-UHFFFAOYSA-N -1 1 416.543 4.216 20 0 HIADMM C[C@@H](C1CC1)N(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000056934439 850520155 /nfs/dbraw/zinc/52/01/55/850520155.db2.gz BLOAWHGOHZWSDZ-AWEZNQCLSA-N -1 1 402.491 4.030 20 0 HIADMM CC(C)c1csc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000436957693 862138576 /nfs/dbraw/zinc/13/85/76/862138576.db2.gz ZYIRTAKWRHXJSR-IBGZPJMESA-N -1 1 423.538 4.046 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)c2ccccc12 ZINC000057116231 850550951 /nfs/dbraw/zinc/55/09/51/850550951.db2.gz GIILGEWQIIPJGC-UHFFFAOYSA-N -1 1 401.484 4.365 20 0 HIADMM COCc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000057117352 850550964 /nfs/dbraw/zinc/55/09/64/850550964.db2.gz JJEVMCJJCDEBIL-UHFFFAOYSA-N -1 1 414.458 4.025 20 0 HIADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c3ccccc32)c(C)c1 ZINC000057119390 850552395 /nfs/dbraw/zinc/55/23/95/850552395.db2.gz HYZNDXJJMMDJQR-UHFFFAOYSA-N -1 1 412.511 4.097 20 0 HIADMM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000057122473 850553778 /nfs/dbraw/zinc/55/37/78/850553778.db2.gz OZCHALXVQWVTBR-UHFFFAOYSA-N -1 1 402.394 4.099 20 0 HIADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccccc3)cc2C)cc1 ZINC000057125590 850554717 /nfs/dbraw/zinc/55/47/17/850554717.db2.gz UTDBCMBXQYOXCF-UHFFFAOYSA-N -1 1 412.536 4.307 20 0 HIADMM CCCOc1ccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c(C)c1 ZINC000436961445 862141800 /nfs/dbraw/zinc/14/18/00/862141800.db2.gz UKRGGRJIQDOGPL-UHFFFAOYSA-N -1 1 409.442 4.290 20 0 HIADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000436970633 862149128 /nfs/dbraw/zinc/14/91/28/862149128.db2.gz FIZOZRASGRMBKG-CQSZACIVSA-N -1 1 410.420 4.343 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c(-c3ncco3)c2)c1 ZINC000436978627 862156729 /nfs/dbraw/zinc/15/67/29/862156729.db2.gz VWMRPEUHNJIFJD-UHFFFAOYSA-N -1 1 418.409 4.157 20 0 HIADMM Cc1coc(-c2cccc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])c2)n1 ZINC000436979537 862156759 /nfs/dbraw/zinc/15/67/59/862156759.db2.gz ZASFCWYNNOHCLV-UHFFFAOYSA-N -1 1 418.409 4.157 20 0 HIADMM COCc1ccccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058225274 850782931 /nfs/dbraw/zinc/78/29/31/850782931.db2.gz CDSRZDOMDYTZCH-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM CCn1c(C)cc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000058255655 850787961 /nfs/dbraw/zinc/78/79/61/850787961.db2.gz RBYMTMODQRBJHX-UHFFFAOYSA-N -1 1 411.527 4.486 20 0 HIADMM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000436998598 862172072 /nfs/dbraw/zinc/17/20/72/862172072.db2.gz KXTSHZPZOBYPKY-CYBMUJFWSA-N -1 1 406.889 4.370 20 0 HIADMM CCCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058488538 850837784 /nfs/dbraw/zinc/83/77/84/850837784.db2.gz UWLUWUVNICPNKN-UHFFFAOYSA-N -1 1 404.271 4.281 20 0 HIADMM CCOc1cc(C)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058565593 850857508 /nfs/dbraw/zinc/85/75/08/850857508.db2.gz XRJWAUYVSQRZNX-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000437007517 862181793 /nfs/dbraw/zinc/18/17/93/862181793.db2.gz ZCVHHHVRLAOUPT-PKTZIBPZSA-N -1 1 401.462 4.341 20 0 HIADMM Cc1ccccc1COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000058835136 850941717 /nfs/dbraw/zinc/94/17/17/850941717.db2.gz OOLOJZHRPLWZMJ-UHFFFAOYSA-N -1 1 413.470 4.221 20 0 HIADMM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])ccc1N(C)C ZINC000060349429 851071755 /nfs/dbraw/zinc/07/17/55/851071755.db2.gz ICAVHYTWFNNXJL-QFIPXVFZSA-N -1 1 417.509 4.163 20 0 HIADMM CCc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000060401483 851087744 /nfs/dbraw/zinc/08/77/44/851087744.db2.gz SUWYOPWQBWPINC-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401335 851088387 /nfs/dbraw/zinc/08/83/87/851088387.db2.gz AGFIOFDXZAZTIO-SDNWHVSQSA-N -1 1 423.450 4.048 20 0 HIADMM Cc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412084 851090317 /nfs/dbraw/zinc/09/03/17/851090317.db2.gz ATHWWTTXVSZFGQ-UHFFFAOYSA-N -1 1 422.506 4.397 20 0 HIADMM CCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060411990 851090646 /nfs/dbraw/zinc/09/06/46/851090646.db2.gz PDWFSLGAWHZINB-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412129 851091085 /nfs/dbraw/zinc/09/10/85/851091085.db2.gz UUBDQILYJHBZQK-KRWDZBQOSA-N -1 1 410.495 4.202 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)cc1 ZINC000060738726 851200252 /nfs/dbraw/zinc/20/02/52/851200252.db2.gz DYWXXQQPHSZZRN-UHFFFAOYSA-N -1 1 424.457 4.128 20 0 HIADMM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2)CC1 ZINC000061035502 851280153 /nfs/dbraw/zinc/28/01/53/851280153.db2.gz ANFPPUZERWZGNM-UHFFFAOYSA-N -1 1 409.349 4.486 20 0 HIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc4c(c3)[n-]c(=S)[nH]c4=O)[nH]c2c1 ZINC000061633038 851416792 /nfs/dbraw/zinc/41/67/92/851416792.db2.gz SMOTYRCCCCCQJB-KRWDZBQOSA-N -1 1 405.483 4.160 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000063146827 851621943 /nfs/dbraw/zinc/62/19/43/851621943.db2.gz ZKZCHXBALHILKK-UHFFFAOYSA-N -1 1 401.315 4.276 20 0 HIADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)c(C(C)C)c1 ZINC000063174402 851627413 /nfs/dbraw/zinc/62/74/13/851627413.db2.gz UHXZHUJNOUTJLM-UHFFFAOYSA-N -1 1 413.536 4.277 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)cc1 ZINC000063173765 851627680 /nfs/dbraw/zinc/62/76/80/851627680.db2.gz UUHXKIOYLXSCMC-UHFFFAOYSA-N -1 1 402.520 4.382 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1Cl ZINC000063177687 851628402 /nfs/dbraw/zinc/62/84/02/851628402.db2.gz JPHRTKDLQGTVQO-UHFFFAOYSA-N -1 1 410.923 4.022 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1 ZINC000063178776 851628468 /nfs/dbraw/zinc/62/84/68/851628468.db2.gz NCFVJYVMGKKGDX-UHFFFAOYSA-N -1 1 404.532 4.065 20 0 HIADMM COCCOC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1 ZINC000063181547 851629496 /nfs/dbraw/zinc/62/94/96/851629496.db2.gz OVQAQZUGUXCZFP-UHFFFAOYSA-N -1 1 420.531 4.271 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1Cl ZINC000063443720 851691193 /nfs/dbraw/zinc/69/11/93/851691193.db2.gz GMSGIJMPHFZJKN-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM C[C@@H](NC(=O)COC(=O)c1c([O-])cc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000063543524 851711026 /nfs/dbraw/zinc/71/10/26/851711026.db2.gz PSHXVNFNCULYAL-MRVPVSSYSA-N -1 1 404.196 4.011 20 0 HIADMM O=C(CNc1ccccc1Cl)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000063645259 851733067 /nfs/dbraw/zinc/73/30/67/851733067.db2.gz AZGRYLPHOJKVLZ-UHFFFAOYSA-N -1 1 415.902 4.191 20 0 HIADMM CCCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000063851195 851778597 /nfs/dbraw/zinc/77/85/97/851778597.db2.gz BDLJFXRZCJRXAC-UHFFFAOYSA-N -1 1 414.449 4.210 20 0 HIADMM Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n[nH]c1C1CC1 ZINC000064347243 851877068 /nfs/dbraw/zinc/87/70/68/851877068.db2.gz XNFCGRGBKUBCIK-UHFFFAOYSA-N -1 1 424.526 4.265 20 0 HIADMM CSc1ccc(Cl)cc1[N-]C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F ZINC000064848312 852002801 /nfs/dbraw/zinc/00/28/01/852002801.db2.gz DJCMIRWOKIPZAZ-UHFFFAOYSA-N -1 1 416.927 4.140 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc(OC)c1OC ZINC000064937642 852025381 /nfs/dbraw/zinc/02/53/81/852025381.db2.gz FGXPRUATFZBGRL-UHFFFAOYSA-N -1 1 423.434 4.125 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064938023 852026419 /nfs/dbraw/zinc/02/64/19/852026419.db2.gz MSLGWYAJPXOQDG-UHFFFAOYSA-N -1 1 418.462 4.239 20 0 HIADMM Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc(Br)ccc1[O-] ZINC000065035942 852043897 /nfs/dbraw/zinc/04/38/97/852043897.db2.gz DWNNHESRANLUNM-UHFFFAOYSA-N -1 1 407.333 4.269 20 0 HIADMM O=C(CCCOCc1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000065100769 852063954 /nfs/dbraw/zinc/06/39/54/852063954.db2.gz UAVPGYFRTGJARW-UHFFFAOYSA-N -1 1 424.522 4.423 20 0 HIADMM COc1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)ccc1C ZINC000065418575 852125567 /nfs/dbraw/zinc/12/55/67/852125567.db2.gz FAEHBDWJALVOGQ-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM O=C(NCCCc1ccccc1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000065616358 852200866 /nfs/dbraw/zinc/20/08/66/852200866.db2.gz UMNABPJJHMJKGK-UHFFFAOYSA-N -1 1 410.420 4.285 20 0 HIADMM O=C(Nc1ccccn1)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000065621976 852202154 /nfs/dbraw/zinc/20/21/54/852202154.db2.gz VQJWDXXZNAZFMG-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=S)Nc1cc(C)ccc1F ZINC000065700991 852224349 /nfs/dbraw/zinc/22/43/49/852224349.db2.gz JYFQAZUPCMUQQH-UHFFFAOYSA-N -1 1 400.504 4.197 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000065867798 852291246 /nfs/dbraw/zinc/29/12/46/852291246.db2.gz XJSQVDHIXVEGEH-UHFFFAOYSA-N -1 1 415.446 4.027 20 0 HIADMM O=C(Nc1cc(F)c(F)cc1F)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000078508618 852517861 /nfs/dbraw/zinc/51/78/61/852517861.db2.gz IICVKLHMTGIOKF-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM CCOC(=O)C1=C(NC(=O)c2csc(-c3ccoc3)n2)[N-]c2ccccc2N=C1C ZINC000078665880 852524050 /nfs/dbraw/zinc/52/40/50/852524050.db2.gz AKZGYZAJVXPTQK-UHFFFAOYSA-N -1 1 422.466 4.126 20 0 HIADMM CC(C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000097121520 852584786 /nfs/dbraw/zinc/58/47/86/852584786.db2.gz SBPLNKKLHTWDSM-UHFFFAOYSA-N -1 1 401.315 4.275 20 0 HIADMM O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000097550968 852629335 /nfs/dbraw/zinc/62/93/35/852629335.db2.gz VLWUCVVHQBPAPC-UHFFFAOYSA-N -1 1 414.428 4.453 20 0 HIADMM Cc1ccc(C(=O)NCCc2n[n-]c(=S)n2C(C)C)cc1NC(=O)c1ccccc1 ZINC000097552780 852630266 /nfs/dbraw/zinc/63/02/66/852630266.db2.gz QNSWBFXUCUKUPZ-UHFFFAOYSA-N -1 1 423.542 4.055 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccn(-c3ccccc3)n2)cc1 ZINC000105713937 852723062 /nfs/dbraw/zinc/72/30/62/852723062.db2.gz JSARNFCUHIKXQA-UHFFFAOYSA-N -1 1 404.499 4.131 20 0 HIADMM Cc1ccc(OCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000107540704 852774088 /nfs/dbraw/zinc/77/40/88/852774088.db2.gz APRJECKSCLNXJF-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000108413582 852848163 /nfs/dbraw/zinc/84/81/63/852848163.db2.gz IRBCHQNOLBIQHF-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CC(C)c1noc(CCC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000109389852 852963366 /nfs/dbraw/zinc/96/33/66/852963366.db2.gz DZXZELHKZDNIHV-UHFFFAOYSA-N -1 1 412.726 4.064 20 0 HIADMM O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110012191 853046647 /nfs/dbraw/zinc/04/66/47/853046647.db2.gz SVUBZRBFJQVGMK-FQEVSTJZSA-N -1 1 408.885 4.120 20 0 HIADMM CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110015061 853046885 /nfs/dbraw/zinc/04/68/85/853046885.db2.gz ZMXXXYYYRPFNBR-NRFANRHFSA-N -1 1 422.912 4.462 20 0 HIADMM CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110076109 853056281 /nfs/dbraw/zinc/05/62/81/853056281.db2.gz MNQAEBCNZXSKSH-NRFANRHFSA-N -1 1 422.912 4.462 20 0 HIADMM Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000110231451 853077251 /nfs/dbraw/zinc/07/72/51/853077251.db2.gz MVARBQNYHJFKDP-HTAPYJJXSA-N -1 1 402.494 4.336 20 0 HIADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(F)ccc2NC(=O)c2ccccn2)cc1 ZINC000110700051 853140598 /nfs/dbraw/zinc/14/05/98/853140598.db2.gz BMYYMMRWVZHUGO-ACCUITESSA-N -1 1 411.458 4.194 20 0 HIADMM CCOc1cc2c(cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)O[C@@H](C)C2 ZINC000115528914 853253080 /nfs/dbraw/zinc/25/30/80/853253080.db2.gz ZBNOKWWPRYCIMC-NSHDSACASA-N -1 1 416.528 4.030 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000115895390 853270496 /nfs/dbraw/zinc/27/04/96/853270496.db2.gz QEKVGRUFHSJGQZ-UHFFFAOYSA-N -1 1 416.499 4.132 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1cccc(F)c1F ZINC000116032894 853279997 /nfs/dbraw/zinc/27/99/97/853279997.db2.gz PDRIOICXVNYZJB-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCc2ccc(Cl)cc21 ZINC000116162104 853287837 /nfs/dbraw/zinc/28/78/37/853287837.db2.gz NPDCNMJWWJHFGX-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000142081467 853487041 /nfs/dbraw/zinc/48/70/41/853487041.db2.gz TWHKILVLVMZULA-HNNXBMFYSA-N -1 1 400.529 4.129 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000195700259 853766769 /nfs/dbraw/zinc/76/67/69/853766769.db2.gz DXUNFFXPJSJBPO-CHWSQXEVSA-N -1 1 415.342 4.408 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(I)c2)cc(Cl)c1[O-] ZINC000215968208 853841379 /nfs/dbraw/zinc/84/13/79/853841379.db2.gz BSRSEDHQSWVZOY-UHFFFAOYSA-N -1 1 417.630 4.301 20 0 HIADMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000227870364 853888065 /nfs/dbraw/zinc/88/80/65/853888065.db2.gz GWTXMEPDAFREDL-UHFFFAOYSA-N -1 1 405.111 4.321 20 0 HIADMM CN(Cc1csc(Br)c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000231328833 853896013 /nfs/dbraw/zinc/89/60/13/853896013.db2.gz ONLDTVWOPKTWRX-UHFFFAOYSA-N -1 1 405.111 4.251 20 0 HIADMM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)c2)c1 ZINC000238061810 854139796 /nfs/dbraw/zinc/13/97/96/854139796.db2.gz SUDAQZAJOKYRHA-RUZDIDTESA-N -1 1 424.500 4.388 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4n[nH]cc4c3)cc2)ccc1F ZINC000248134535 854181926 /nfs/dbraw/zinc/18/19/26/854181926.db2.gz YSCOAPBVNMTTFG-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261369271 854236635 /nfs/dbraw/zinc/23/66/35/854236635.db2.gz GQNNCFDLCIDIKL-UHFFFAOYSA-N -1 1 408.542 4.034 20 0 HIADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000261436331 854261244 /nfs/dbraw/zinc/26/12/44/854261244.db2.gz WYQWFIOLHYDNKO-GFCCVEGCSA-N -1 1 411.449 4.120 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1F ZINC000261472487 854274307 /nfs/dbraw/zinc/27/43/07/854274307.db2.gz QASZZFGQPJPYPP-UHFFFAOYSA-N -1 1 403.262 4.060 20 0 HIADMM CC[C@H](C)C(=O)Nc1cccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000301372368 854374430 /nfs/dbraw/zinc/37/44/30/854374430.db2.gz QCHCTXSJYDMTMA-AWEZNQCLSA-N -1 1 405.502 4.458 20 0 HIADMM COc1ccccc1[C@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)c1ccccn1 ZINC000301876884 854482475 /nfs/dbraw/zinc/48/24/75/854482475.db2.gz NLPSEYMYRAYABM-QFIPXVFZSA-N -1 1 413.481 4.466 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc2c(s1)CCC2 ZINC000302220974 854552887 /nfs/dbraw/zinc/55/28/87/854552887.db2.gz ILBCBRGXKWELAU-UHFFFAOYSA-N -1 1 416.499 4.429 20 0 HIADMM O=C(NCc1nc2ccccc2s1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000302224725 854553753 /nfs/dbraw/zinc/55/37/53/854553753.db2.gz ZAHSEOBKRYSIKM-UHFFFAOYSA-N -1 1 423.519 4.027 20 0 HIADMM Cc1nc(-c2ccc(N3CCO[C@H](c4ccc(F)cc4Cl)C3)nc2)[n-]c(=O)c1C ZINC000302429486 854570561 /nfs/dbraw/zinc/57/05/61/854570561.db2.gz PLTWSKIVWRXHAL-SFHVURJKSA-N -1 1 414.868 4.231 20 0 HIADMM Cc1cc(C)c(N2CC[C@@H](Nc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2=O)c(C)c1 ZINC000302788266 854633271 /nfs/dbraw/zinc/63/32/71/854633271.db2.gz XJLJKQXOWYHMEY-LJQANCHMSA-N -1 1 417.513 4.004 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1 ZINC000302849977 854655496 /nfs/dbraw/zinc/65/54/96/854655496.db2.gz STGJXSUXNYNXBB-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCC[C@@H]1C1CCC1 ZINC000303181484 854804403 /nfs/dbraw/zinc/80/44/03/854804403.db2.gz KVBDKGPKPUYTPW-HXUWFJFHSA-N -1 1 420.481 4.170 20 0 HIADMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cc(F)c(Cl)nc1Cl ZINC000303256504 854838539 /nfs/dbraw/zinc/83/85/39/854838539.db2.gz CMPWYWOBFUZWPZ-UHFFFAOYSA-N -1 1 401.225 4.361 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC3(C)CCCC3)c2)cc1F ZINC000303308124 854864067 /nfs/dbraw/zinc/86/40/67/854864067.db2.gz FBFWTFKWUUFXNS-UHFFFAOYSA-N -1 1 404.507 4.245 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)Cc2ccc(C)cc2C)cc1 ZINC000303368548 854895551 /nfs/dbraw/zinc/89/55/51/854895551.db2.gz RTTBUMXTCPLTRQ-QGZVFWFLSA-N -1 1 424.570 4.371 20 0 HIADMM Cc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000303520200 855007920 /nfs/dbraw/zinc/00/79/20/855007920.db2.gz PMFIZHOKEYEXOY-OAQYLSRUSA-N -1 1 404.514 4.307 20 0 HIADMM CSCC[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000303780318 855195109 /nfs/dbraw/zinc/19/51/09/855195109.db2.gz OGBCTJMZVSOXBH-OAHLLOKOSA-N -1 1 424.563 4.149 20 0 HIADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000303806151 855210170 /nfs/dbraw/zinc/21/01/70/855210170.db2.gz UGZLDAQECRNFBA-RNCFNFMXSA-N -1 1 424.769 4.219 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC(c2cccs2)c2cccs2)c(=O)[n-]1 ZINC000303815771 855218046 /nfs/dbraw/zinc/21/80/46/855218046.db2.gz ZXIDPVGHVGPSMA-UHFFFAOYSA-N -1 1 405.570 4.174 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000303891788 855272377 /nfs/dbraw/zinc/27/23/77/855272377.db2.gz KJSZPNMELKLGEL-UHFFFAOYSA-N -1 1 424.522 4.417 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)ccc1Br)c1c(Cl)nc2ccccn21 ZINC000316853222 855380639 /nfs/dbraw/zinc/38/06/39/855380639.db2.gz ODAQZYJUVNCDRF-UHFFFAOYSA-N -1 1 421.103 4.204 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c(Br)c1 ZINC000325126800 855401780 /nfs/dbraw/zinc/40/17/80/855401780.db2.gz DTOVUDKLUJOGHU-UHFFFAOYSA-N -1 1 413.312 4.298 20 0 HIADMM CCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000326617734 855411373 /nfs/dbraw/zinc/41/13/73/855411373.db2.gz NVOQUXWKFJGTLR-UHFFFAOYSA-N -1 1 404.271 4.281 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(I)ccc2C)cc1C ZINC000383590284 855438034 /nfs/dbraw/zinc/43/80/34/855438034.db2.gz KUWRYPVHJULZQN-UHFFFAOYSA-N -1 1 401.269 4.017 20 0 HIADMM CC(C)CCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000390221846 855453696 /nfs/dbraw/zinc/45/36/96/855453696.db2.gz PZQVSXZNBPFUKM-UHFFFAOYSA-N -1 1 407.330 4.242 20 0 HIADMM O=S(=O)([N-][C@H]1CCSc2c(F)cccc21)c1sccc1Br ZINC000409860682 855692507 /nfs/dbraw/zinc/69/25/07/855692507.db2.gz HMQJLDPBMQXUID-NSHDSACASA-N -1 1 408.339 4.165 20 0 HIADMM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000410153085 855841235 /nfs/dbraw/zinc/84/12/35/855841235.db2.gz GPPJRDMYYNZKPZ-XUTJKUGGSA-N -1 1 420.534 4.472 20 0 HIADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)c1 ZINC000410349248 855942851 /nfs/dbraw/zinc/94/28/51/855942851.db2.gz ANZCJPXCQOGCRQ-UHFFFAOYSA-N -1 1 401.463 4.312 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)cc1OC ZINC000410382108 855963238 /nfs/dbraw/zinc/96/32/38/855963238.db2.gz MRJOIBOPTKTAGW-UHFFFAOYSA-N -1 1 423.556 4.233 20 0 HIADMM CSc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cc1Cl ZINC000410398792 855973884 /nfs/dbraw/zinc/97/38/84/855973884.db2.gz BFEFRZBKLLAURL-UHFFFAOYSA-N -1 1 415.920 4.348 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1C ZINC000425984001 856031160 /nfs/dbraw/zinc/03/11/60/856031160.db2.gz YENCOYLBRSISLH-UHFFFAOYSA-N -1 1 416.543 4.020 20 0 HIADMM O=C([O-])C[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000426719683 856433191 /nfs/dbraw/zinc/43/31/91/856433191.db2.gz IQNISOBOUYJWDZ-LJQANCHMSA-N -1 1 419.403 4.119 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000426741717 856447285 /nfs/dbraw/zinc/44/72/85/856447285.db2.gz MOXRMEJGMIFMBN-HNNXBMFYSA-N -1 1 418.209 4.392 20 0 HIADMM O=C([O-])[C@@H](Cc1ccc(F)cc1)NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000426743473 856448776 /nfs/dbraw/zinc/44/87/76/856448776.db2.gz ASLJCHFDOZBTDB-GOSISDBHSA-N -1 1 420.893 4.300 20 0 HIADMM COc1ccc(CN[C@H](C(=O)[O-])c2cc(Br)ccc2OC)cc1Cl ZINC000426747930 856452249 /nfs/dbraw/zinc/45/22/49/856452249.db2.gz SWLSCEGJJSTOCA-INIZCTEOSA-N -1 1 414.683 4.035 20 0 HIADMM Cc1cc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)sc1Br ZINC000426755701 856458747 /nfs/dbraw/zinc/45/87/47/856458747.db2.gz FFMFUNOKYKSTPO-MRXNPFEDSA-N -1 1 420.332 4.310 20 0 HIADMM O=C([O-])[C@H](Cc1c(F)cccc1Cl)NCc1csc(COc2ccccc2)n1 ZINC000426757061 856459700 /nfs/dbraw/zinc/45/97/00/856459700.db2.gz NGGGLHFIMJDKPM-SFHVURJKSA-N -1 1 420.893 4.300 20 0 HIADMM O=C([O-])C[C@H](NCc1cc(Cl)cc2cccnc21)c1cnn(-c2ccccc2)c1 ZINC000426762574 856463465 /nfs/dbraw/zinc/46/34/65/856463465.db2.gz LJCGFWSVRBKHKI-FQEVSTJZSA-N -1 1 406.873 4.380 20 0 HIADMM COc1ccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)o3)s2)cc1OC ZINC000426780210 856474572 /nfs/dbraw/zinc/47/45/72/856474572.db2.gz PKMGSGNDLQQOKQ-HNNXBMFYSA-N -1 1 402.472 4.034 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(Br)c(Cl)s2)c1 ZINC000426789492 856479258 /nfs/dbraw/zinc/47/92/58/856479258.db2.gz VIDWPOBJRISRLG-CYBMUJFWSA-N -1 1 404.713 4.478 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)o3)s2)c1OC ZINC000426797892 856484713 /nfs/dbraw/zinc/48/47/13/856484713.db2.gz HKOIFUMGXJTPPW-HNNXBMFYSA-N -1 1 402.472 4.034 20 0 HIADMM COc1ccc([C@H](NCc2cc(Br)c(Cl)s2)C(=O)[O-])cc1F ZINC000426804426 856488294 /nfs/dbraw/zinc/48/82/94/856488294.db2.gz UKUXGTWWKMJRMI-LBPRGKRZSA-N -1 1 408.676 4.227 20 0 HIADMM COc1ccc(-c2ccncc2)cc1CN[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000426808726 856490439 /nfs/dbraw/zinc/49/04/39/856490439.db2.gz NSDNKXSZBLVMPT-FQEVSTJZSA-N -1 1 422.481 4.080 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(F)cc(C(F)(F)F)c2)c1OC ZINC000426817187 856494932 /nfs/dbraw/zinc/49/49/32/856494932.db2.gz NTRZTRJYIPAJFN-OAHLLOKOSA-N -1 1 401.356 4.167 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(Cl)c2)c1OC ZINC000426818152 856495372 /nfs/dbraw/zinc/49/53/72/856495372.db2.gz DITHSKZMWSENCA-CQSZACIVSA-N -1 1 415.820 4.264 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccsc3)s2)c1OC ZINC000426820629 856497243 /nfs/dbraw/zinc/49/72/43/856497243.db2.gz LYWFBAVVDOGMCZ-HNNXBMFYSA-N -1 1 404.513 4.194 20 0 HIADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000427192961 856703518 /nfs/dbraw/zinc/70/35/18/856703518.db2.gz LRFSXGMIJOJQBU-VQTJNVASSA-N -1 1 418.584 4.282 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1nc(Cc2ccccc2)no1 ZINC000427282797 856750042 /nfs/dbraw/zinc/75/00/42/856750042.db2.gz GOQZLQKETTYQBO-LLVKDONJSA-N -1 1 412.298 4.007 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)ccc1Br ZINC000427349145 856786056 /nfs/dbraw/zinc/78/60/56/856786056.db2.gz GBCOZEKYOSOQAQ-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)o1 ZINC000437478913 862838209 /nfs/dbraw/zinc/83/82/09/862838209.db2.gz CQNMNHAXXXCEER-AUUYWEPGSA-N -1 1 410.518 4.140 20 0 HIADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C[C@@H]3C[C@@H](C(C)C)c4ccccc43)CC2)n1 ZINC000427422539 856813772 /nfs/dbraw/zinc/81/37/72/856813772.db2.gz WKYRDFDTQJPFLB-PXNSSMCTSA-N -1 1 424.545 4.005 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCS[C@H](C)CC3)ccc2C)cc1 ZINC000427915054 857005527 /nfs/dbraw/zinc/00/55/27/857005527.db2.gz MTGKUBDONJNUIX-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCS1 ZINC000427919655 857007886 /nfs/dbraw/zinc/00/78/86/857007886.db2.gz ZDIGCXJRXVXJCZ-CQSZACIVSA-N -1 1 424.975 4.108 20 0 HIADMM CC(=O)[C@H](C)CCCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000427921010 857008955 /nfs/dbraw/zinc/00/89/55/857008955.db2.gz GOCJBCHIGIKWFE-MRXNPFEDSA-N -1 1 402.516 4.211 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc1 ZINC000428035057 857049979 /nfs/dbraw/zinc/04/99/79/857049979.db2.gz DYAKBZLUNJAVGZ-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM O=C(Nc1ccc(Oc2ccccc2F)nc1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000428047798 857055176 /nfs/dbraw/zinc/05/51/76/857055176.db2.gz GCQYDZBKERRHSW-UHFFFAOYSA-N -1 1 402.385 4.219 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cnn([C@H](C)C4CC4)c3)c2)c1 ZINC000428212768 857113890 /nfs/dbraw/zinc/11/38/90/857113890.db2.gz XIPAEGWIZOTNRX-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)N[C@H]1CCCC1(C)C ZINC000428326347 857155140 /nfs/dbraw/zinc/15/51/40/857155140.db2.gz JCEDQXCESXOXCT-FQEVSTJZSA-N -1 1 415.559 4.208 20 0 HIADMM CC1(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)CC1 ZINC000428345913 857164042 /nfs/dbraw/zinc/16/40/42/857164042.db2.gz DMXJWHMBEULNMR-UHFFFAOYSA-N -1 1 423.332 4.379 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC2(C1)CCCC2 ZINC000428447498 857205980 /nfs/dbraw/zinc/20/59/80/857205980.db2.gz MDGJSXKNHXHKQI-UHFFFAOYSA-N -1 1 404.919 4.157 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC2(C1)CCCC2 ZINC000428450428 857207973 /nfs/dbraw/zinc/20/79/73/857207973.db2.gz VLSADVLELAAECJ-UHFFFAOYSA-N -1 1 404.919 4.157 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CC[C@H]2CCC[C@@H]21 ZINC000428536887 857248824 /nfs/dbraw/zinc/24/88/24/857248824.db2.gz KEWHXMZKJOFLAN-KUHUBIRLSA-N -1 1 404.919 4.155 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000428536551 857249577 /nfs/dbraw/zinc/24/95/77/857249577.db2.gz JOAIHFMKCIRHBH-BEFAXECRSA-N -1 1 418.946 4.464 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000428546158 857257004 /nfs/dbraw/zinc/25/70/04/857257004.db2.gz WQYBIQUJJOBANQ-NRFANRHFSA-N -1 1 402.498 4.022 20 0 HIADMM CCc1ccc(-c2csc(NC(=O)CSc3nc(CC)cc(=O)[n-]3)n2)cc1 ZINC000428698536 857300720 /nfs/dbraw/zinc/30/07/20/857300720.db2.gz DLKQCAGFLTXALA-UHFFFAOYSA-N -1 1 400.529 4.161 20 0 HIADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000430480733 858189211 /nfs/dbraw/zinc/18/92/11/858189211.db2.gz ZGUASCLWWMJLKU-RDTXWAMCSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)c2)cc1F ZINC000430488363 858195513 /nfs/dbraw/zinc/19/55/13/858195513.db2.gz ZSFYSPABEDKSHX-RDTXWAMCSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000430742482 858284685 /nfs/dbraw/zinc/28/46/85/858284685.db2.gz OSPHHQAYTCOPCT-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cc(-c2ncccc2NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cs1 ZINC000437667610 863007799 /nfs/dbraw/zinc/00/77/99/863007799.db2.gz IYZXOAWEUDJYON-UHFFFAOYSA-N -1 1 402.497 4.234 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cnn1-c1ccc(Cl)cc1 ZINC000431170662 858485443 /nfs/dbraw/zinc/48/54/43/858485443.db2.gz WJMHBRYDNCBPBF-UHFFFAOYSA-N -1 1 401.797 4.052 20 0 HIADMM COc1cc(NC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000431200664 858500353 /nfs/dbraw/zinc/50/03/53/858500353.db2.gz ACHCWALGJLOHMQ-IBGZPJMESA-N -1 1 419.547 4.284 20 0 HIADMM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)CC2 ZINC000431341132 858572755 /nfs/dbraw/zinc/57/27/55/858572755.db2.gz GRCPTCLYTKFNAB-NRFANRHFSA-N -1 1 422.506 4.165 20 0 HIADMM COc1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)cc1F ZINC000431450131 858621541 /nfs/dbraw/zinc/62/15/41/858621541.db2.gz SVRHXSAKXLWHLO-UHFFFAOYSA-N -1 1 419.044 4.317 20 0 HIADMM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431627898 858698355 /nfs/dbraw/zinc/69/83/55/858698355.db2.gz KWLRCPCZXCMJGD-KRWDZBQOSA-N -1 1 419.877 4.040 20 0 HIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000432064570 858962522 /nfs/dbraw/zinc/96/25/22/858962522.db2.gz DVWOHORSJQZWQE-UHFFFAOYSA-N -1 1 424.309 4.491 20 0 HIADMM CO[C@@H]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000432068552 858965416 /nfs/dbraw/zinc/96/54/16/858965416.db2.gz WFBKRVFPLPJJES-KBXCAEBGSA-N -1 1 422.934 4.285 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)c2)n1 ZINC000432179946 859033867 /nfs/dbraw/zinc/03/38/67/859033867.db2.gz ZSISPZKCCRSNPR-UHFFFAOYSA-N -1 1 407.879 4.070 20 0 HIADMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)ccc21 ZINC000432200890 859044238 /nfs/dbraw/zinc/04/42/38/859044238.db2.gz JAFNWUXLXOKDSK-UHFFFAOYSA-N -1 1 417.490 4.457 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(COCc4ccccc4)cc3)ccc2[nH]1 ZINC000432204427 859045222 /nfs/dbraw/zinc/04/52/22/859045222.db2.gz TULOATSGJXOPNH-UHFFFAOYSA-N -1 1 420.490 4.046 20 0 HIADMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cccc21 ZINC000432469018 859177942 /nfs/dbraw/zinc/17/79/42/859177942.db2.gz BGDWBXLYPWLDNQ-OAHLLOKOSA-N -1 1 401.315 4.179 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC3(CCCC3)c3cccc(F)c32)c(=O)[n-]1 ZINC000432555072 859224882 /nfs/dbraw/zinc/22/48/82/859224882.db2.gz FCPMGFALKWUPDT-UHFFFAOYSA-N -1 1 401.507 4.143 20 0 HIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1ccc(Br)o1 ZINC000432619327 859257923 /nfs/dbraw/zinc/25/79/23/859257923.db2.gz QXTUWXYLQAKPQX-LBPRGKRZSA-N -1 1 404.289 4.614 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)cc1Cl ZINC000432769840 859350760 /nfs/dbraw/zinc/35/07/60/859350760.db2.gz PZMKEXLYWOORKL-UHFFFAOYSA-N -1 1 422.934 4.002 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nnc(C)o2)cc1C(C)C ZINC000432771978 859353319 /nfs/dbraw/zinc/35/33/19/859353319.db2.gz OGMXFMWZWPNYGP-UHFFFAOYSA-N -1 1 401.488 4.286 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1Cl ZINC000432777495 859355196 /nfs/dbraw/zinc/35/51/96/859355196.db2.gz CXYFALNAEIQZRM-UHFFFAOYSA-N -1 1 418.902 4.432 20 0 HIADMM CCOCCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCC1 ZINC000432779012 859355737 /nfs/dbraw/zinc/35/57/37/859355737.db2.gz GSRBFJJCHIIWBP-UHFFFAOYSA-N -1 1 416.543 4.331 20 0 HIADMM CCC(CC)n1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000432820011 859374355 /nfs/dbraw/zinc/37/43/55/859374355.db2.gz QCJWGOISKRLBMQ-UHFFFAOYSA-N -1 1 412.515 4.297 20 0 HIADMM COc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433605375 859806727 /nfs/dbraw/zinc/80/67/27/859806727.db2.gz SHEZJGHZHURLEF-UHFFFAOYSA-N -1 1 400.678 4.113 20 0 HIADMM CSC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CCC1 ZINC000433702004 859844420 /nfs/dbraw/zinc/84/44/20/859844420.db2.gz HNGPOKVTKWLRGS-UHFFFAOYSA-N -1 1 418.584 4.120 20 0 HIADMM CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1cccnc1 ZINC000433757631 859878986 /nfs/dbraw/zinc/87/89/86/859878986.db2.gz OQNOUUFPUIWLES-ZDUSSCGKSA-N -1 1 406.857 4.472 20 0 HIADMM O=C(NC1CCC2(CC2)CC1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000434281380 860249020 /nfs/dbraw/zinc/24/90/20/860249020.db2.gz HLZGPFPDEGHQFS-UHFFFAOYSA-N -1 1 420.481 4.218 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3ccc(F)cc3C2)cc1 ZINC000434341796 860300886 /nfs/dbraw/zinc/30/08/86/860300886.db2.gz OIADQWRGXFOGEX-UHFFFAOYSA-N -1 1 424.497 4.133 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCSC(C)(C)C3)cc2)c1C ZINC000434374247 860319923 /nfs/dbraw/zinc/31/99/23/860319923.db2.gz PFBDXJCIFCNAIV-UHFFFAOYSA-N -1 1 418.584 4.072 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)ccc1F ZINC000435133933 860656938 /nfs/dbraw/zinc/65/69/38/860656938.db2.gz UBIWPLRKWCVRNL-UHFFFAOYSA-N -1 1 417.487 4.131 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1Br ZINC000435137418 860659416 /nfs/dbraw/zinc/65/94/16/860659416.db2.gz LILZIJLNDHKZNL-UHFFFAOYSA-N -1 1 406.248 4.202 20 0 HIADMM CS[C@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000435387273 860780317 /nfs/dbraw/zinc/78/03/17/860780317.db2.gz ZARYXFJBJKRREM-IBGZPJMESA-N -1 1 418.584 4.154 20 0 HIADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(Cl)cc(Br)c1F ZINC000435543413 860856845 /nfs/dbraw/zinc/85/68/45/860856845.db2.gz KUIPSVHFQVVEPI-UHFFFAOYSA-N -1 1 413.659 4.407 20 0 HIADMM O=S(=O)([N-][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1sccc1Br ZINC000435588769 860898433 /nfs/dbraw/zinc/89/84/33/860898433.db2.gz OLGFUMPPCUOETC-UMSPYCQHSA-N -1 1 406.754 4.389 20 0 HIADMM COc1ccc(-c2ncc(C(=O)[N-]c3nnc(-c4ccco4)s3)s2)cc1OC ZINC000435665325 860943979 /nfs/dbraw/zinc/94/39/79/860943979.db2.gz YAUHBWSQSCJLMO-UHFFFAOYSA-N -1 1 414.468 4.191 20 0 HIADMM Cc1c([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cnn1C1CCCC1 ZINC000435737820 861018864 /nfs/dbraw/zinc/01/88/64/861018864.db2.gz MDBYGIHHNKAIQF-UHFFFAOYSA-N -1 1 404.467 4.043 20 0 HIADMM CCCCn1ncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000435797900 861067983 /nfs/dbraw/zinc/06/79/83/861067983.db2.gz GAAKUVKIOOTPRM-UHFFFAOYSA-N -1 1 412.515 4.045 20 0 HIADMM CC(C)c1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000435804271 861072526 /nfs/dbraw/zinc/07/25/26/861072526.db2.gz PIRLZPMWCFVHRQ-UHFFFAOYSA-N -1 1 413.474 4.397 20 0 HIADMM COc1ccc(NC(=O)c2c(C)c(C)oc2-c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000435872141 861132047 /nfs/dbraw/zinc/13/20/47/861132047.db2.gz NIBWGUKDRFGULW-UHFFFAOYSA-N -1 1 414.483 4.196 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1c(Cl)cc(Cl)cc1Cl ZINC000467796148 881621691 /nfs/dbraw/zinc/62/16/91/881621691.db2.gz FSCYIDOCIASMRB-ZIAGYGMSSA-N -1 1 408.738 4.306 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000467801829 881625464 /nfs/dbraw/zinc/62/54/64/881625464.db2.gz XCMZLCLFWXSLHA-UHFFFAOYSA-N -1 1 403.251 4.364 20 0 HIADMM COCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438056754 863426711 /nfs/dbraw/zinc/42/67/11/863426711.db2.gz RXOIDFDIXQTIJS-UHFFFAOYSA-N -1 1 414.886 4.035 20 0 HIADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000467835028 881668524 /nfs/dbraw/zinc/66/85/24/881668524.db2.gz OMMHNIJBTTVJER-STQMWFEESA-N -1 1 410.898 4.293 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000438234213 863676571 /nfs/dbraw/zinc/67/65/71/863676571.db2.gz KVWQFVYLAUKTSS-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCc1ncsc1NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000438238986 863688200 /nfs/dbraw/zinc/68/82/00/863688200.db2.gz OTXURGQJJAMTGM-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1OCC ZINC000438730680 864213678 /nfs/dbraw/zinc/21/36/78/864213678.db2.gz YPWFAGDBJQTZKA-UHFFFAOYSA-N -1 1 418.284 4.186 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)cc1 ZINC000438755692 864247781 /nfs/dbraw/zinc/24/77/81/864247781.db2.gz HBPVJIYWGIEBCO-UHFFFAOYSA-N -1 1 403.891 4.280 20 0 HIADMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)cc21 ZINC000438765309 864261410 /nfs/dbraw/zinc/26/14/10/864261410.db2.gz NMHTZDMCZLJDJT-UHFFFAOYSA-N -1 1 412.284 4.320 20 0 HIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)cc2)n1 ZINC000438776129 864271184 /nfs/dbraw/zinc/27/11/84/864271184.db2.gz HVJJMFOFRQEOSJ-UHFFFAOYSA-N -1 1 422.279 4.154 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c(F)c1 ZINC000438787332 864279641 /nfs/dbraw/zinc/27/96/41/864279641.db2.gz BGLPXLPBMAKHJR-UHFFFAOYSA-N -1 1 413.854 4.300 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1 ZINC000438789463 864282755 /nfs/dbraw/zinc/28/27/55/864282755.db2.gz FOUVGZUNMXMTSB-LJQANCHMSA-N -1 1 413.499 4.054 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(C)c1 ZINC000438794535 864286347 /nfs/dbraw/zinc/28/63/47/864286347.db2.gz IHLBEOXUTZHGNX-MRXNPFEDSA-N -1 1 416.543 4.163 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)cc1Cl ZINC000438801433 864292911 /nfs/dbraw/zinc/29/29/11/864292911.db2.gz MFOCEVMECSGDQE-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccc4oc(=O)[nH]c4c3)cc2s1 ZINC000438814894 864307267 /nfs/dbraw/zinc/30/72/67/864307267.db2.gz OLRKJIWVGRBBTF-UHFFFAOYSA-N -1 1 403.485 4.241 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1ccc(F)c(C(F)(F)F)c1 ZINC000438985263 864447247 /nfs/dbraw/zinc/44/72/47/864447247.db2.gz MYIOZLBRZCLUNY-UHFFFAOYSA-N -1 1 424.366 4.226 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1ccc(C(F)(F)F)cc1 ZINC000438987033 864448533 /nfs/dbraw/zinc/44/85/33/864448533.db2.gz SJFMHGJJTDSPGM-UHFFFAOYSA-N -1 1 406.376 4.087 20 0 HIADMM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C(C)(C)C)s3)n2)c1 ZINC000439000722 864454730 /nfs/dbraw/zinc/45/47/30/864454730.db2.gz NMYTVHWLKMBJRW-GFCCVEGCSA-N -1 1 421.544 4.144 20 0 HIADMM C[C@@H](N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1(C)CC1 ZINC000439024201 864479872 /nfs/dbraw/zinc/47/98/72/864479872.db2.gz SOTRGRXRLXYFMO-CQSZACIVSA-N -1 1 406.935 4.401 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc4c(c3)ncn4C)n2)cc(Br)c1[O-] ZINC000439061394 864511432 /nfs/dbraw/zinc/51/14/32/864511432.db2.gz SZIBVBDKIUNVMH-UHFFFAOYSA-N -1 1 415.247 4.157 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000439062580 864514355 /nfs/dbraw/zinc/51/43/55/864514355.db2.gz YJMIRUNSZDGKBO-NZQKXSOJSA-N -1 1 414.505 4.166 20 0 HIADMM O=c1nc(CN2CCC([C@H]3CCCO3)CC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000439298465 864723686 /nfs/dbraw/zinc/72/36/86/864723686.db2.gz OAJCMJLVGULFCC-GOSISDBHSA-N -1 1 413.518 4.182 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)ccc2o1 ZINC000439883369 865195014 /nfs/dbraw/zinc/19/50/14/865195014.db2.gz OTOCRMREIMTFKF-UHFFFAOYSA-N -1 1 414.405 4.145 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000440012421 865310285 /nfs/dbraw/zinc/31/02/85/865310285.db2.gz ZZEPIHORQSHSHL-UHFFFAOYSA-N -1 1 400.422 4.195 20 0 HIADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000440012399 865310986 /nfs/dbraw/zinc/31/09/86/865310986.db2.gz PYDKRBKDOBZBEV-VSKRKVRLSA-N -1 1 406.526 4.235 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000440234483 865469035 /nfs/dbraw/zinc/46/90/35/865469035.db2.gz KJMSZESQRCPENS-OXQOHEQNSA-N -1 1 416.518 4.340 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)CC[C@@H]3C)ccc2C)c1 ZINC000440408057 865702377 /nfs/dbraw/zinc/70/23/77/865702377.db2.gz JZSVRZYZOQEALF-AEFFLSMTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)CC[C@@H]3C)ccc2C)c1 ZINC000440408060 865703079 /nfs/dbraw/zinc/70/30/79/865703079.db2.gz JZSVRZYZOQEALF-WMZOPIPTSA-N -1 1 400.544 4.365 20 0 HIADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc(-c2ccc(SC)cc2)ns1 ZINC000440469444 865774248 /nfs/dbraw/zinc/77/42/48/865774248.db2.gz ZJOVXSRTWARVNE-UHFFFAOYSA-N -1 1 423.523 4.374 20 0 HIADMM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC1 ZINC000440707470 865870826 /nfs/dbraw/zinc/87/08/26/865870826.db2.gz YODQUFILKIWSGV-GFCCVEGCSA-N -1 1 401.388 4.308 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1Cl ZINC000440835058 865948938 /nfs/dbraw/zinc/94/89/38/865948938.db2.gz SFWGROUNYCPYGV-UHFFFAOYSA-N -1 1 421.824 4.422 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1 ZINC000441719813 866819367 /nfs/dbraw/zinc/81/93/67/866819367.db2.gz WMHRHUSOIJODDE-UHFFFAOYSA-N -1 1 412.433 4.109 20 0 HIADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1Cl ZINC000442239152 867277492 /nfs/dbraw/zinc/27/74/92/867277492.db2.gz CCKGENJCUFEFCJ-UHFFFAOYSA-N -1 1 413.204 4.170 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1cc(F)ccc1Br ZINC000442241798 867280352 /nfs/dbraw/zinc/28/03/52/867280352.db2.gz LQDRZHBKYHUMAV-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cc1cc(OCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442333719 867332960 /nfs/dbraw/zinc/33/29/60/867332960.db2.gz LSKBPLYBWWKMQB-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3cnccc3C(F)(F)F)[nH]n2)cc1C ZINC000442843132 867695688 /nfs/dbraw/zinc/69/56/88/867695688.db2.gz PRNXMAMTWMKCGE-UHFFFAOYSA-N -1 1 410.421 4.217 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1cc(F)ccc1Cl ZINC000442847560 867697088 /nfs/dbraw/zinc/69/70/88/867697088.db2.gz QLJRRRBBCOYVCM-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc(Cl)c1[O-] ZINC000442865662 867704933 /nfs/dbraw/zinc/70/49/33/867704933.db2.gz IUUGONLBTPCTAR-NSHDSACASA-N -1 1 403.841 4.178 20 0 HIADMM COc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc(Cl)c1[O-] ZINC000442957566 867763762 /nfs/dbraw/zinc/76/37/62/867763762.db2.gz OOCVTSMDUAUJCI-MRXNPFEDSA-N -1 1 400.233 4.060 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc(Cl)c1[O-] ZINC000443056723 867803818 /nfs/dbraw/zinc/80/38/18/867803818.db2.gz ZMPRXOWJCMSISV-LHSJRXKWSA-N -1 1 419.905 4.109 20 0 HIADMM COc1cc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc(Cl)c1[O-] ZINC000443065309 867808266 /nfs/dbraw/zinc/80/82/66/867808266.db2.gz ZOGQSNHJIOFSPT-UHFFFAOYSA-N -1 1 410.857 4.237 20 0 HIADMM COC(=O)[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccc(Cl)cc1Cl ZINC000443125314 867831577 /nfs/dbraw/zinc/83/15/77/867831577.db2.gz FDCFTAQYVSKYFE-AWEZNQCLSA-N -1 1 418.660 4.005 20 0 HIADMM CC(C)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000443148380 867844269 /nfs/dbraw/zinc/84/42/69/867844269.db2.gz USYZAVCPEWCFCJ-UHFFFAOYSA-N -1 1 422.812 4.120 20 0 HIADMM CCOc1cc(-c2nc(-c3cccc(OCC(F)(F)F)n3)no2)cc(Cl)c1[O-] ZINC000443212762 867878178 /nfs/dbraw/zinc/87/81/78/867878178.db2.gz OOEQPRIUNQIBGS-UHFFFAOYSA-N -1 1 415.755 4.497 20 0 HIADMM COc1cc(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000443300738 867895277 /nfs/dbraw/zinc/89/52/77/867895277.db2.gz YGOQFKVUHJDGRT-SFHVURJKSA-N -1 1 403.906 4.227 20 0 HIADMM COc1cc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc(Cl)c1[O-] ZINC000443325583 867904521 /nfs/dbraw/zinc/90/45/21/867904521.db2.gz XWFBDODKSUOVKO-SFHVURJKSA-N -1 1 418.280 4.359 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)c1 ZINC000443402144 867976314 /nfs/dbraw/zinc/97/63/14/867976314.db2.gz XOFZAHGQARKJAO-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(OCC)c2)cc1 ZINC000443408767 867990166 /nfs/dbraw/zinc/99/01/66/867990166.db2.gz UWXFVEKEPIWARE-UHFFFAOYSA-N -1 1 404.532 4.148 20 0 HIADMM O=S(=O)([N-]Cc1ccc(O)c(Br)c1)c1cc(Cl)sc1Cl ZINC000443489083 868068576 /nfs/dbraw/zinc/06/85/76/868068576.db2.gz MUSTWGFEFSMEHJ-UHFFFAOYSA-N -1 1 417.133 4.002 20 0 HIADMM CCn1cc(S(=O)(=O)Nc2ccccc2N[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000443529760 868087681 /nfs/dbraw/zinc/08/76/81/868087681.db2.gz HMMVJSRMKYOOEU-HNNXBMFYSA-N -1 1 413.499 4.180 20 0 HIADMM CC[C@]1(C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)C1 ZINC000468247783 882152131 /nfs/dbraw/zinc/15/21/31/882152131.db2.gz VBCFCZCQMZYEFV-OAQYLSRUSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1nc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)s1 ZINC000443618775 868186292 /nfs/dbraw/zinc/18/62/92/868186292.db2.gz FJMHUXFYAYTJGC-UHFFFAOYSA-N -1 1 401.557 4.193 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CCC2(CCC2)C1 ZINC000468260533 882175279 /nfs/dbraw/zinc/17/52/79/882175279.db2.gz KUXJIAYXFZFJIL-UHFFFAOYSA-N -1 1 404.919 4.157 20 0 HIADMM CCc1nc(C(=O)[N-]c2c(F)cc(Br)cc2F)nn1-c1ccccc1 ZINC000443886788 868424357 /nfs/dbraw/zinc/42/43/57/868424357.db2.gz ULZAJGZYCODKGN-UHFFFAOYSA-N -1 1 407.218 4.123 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)ns1 ZINC000443924773 868463023 /nfs/dbraw/zinc/46/30/23/868463023.db2.gz SOHACVWSQKYONA-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM Cc1csc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)n1 ZINC000443926279 868464466 /nfs/dbraw/zinc/46/44/66/868464466.db2.gz FSYDCWOCKUPNDC-UHFFFAOYSA-N -1 1 415.540 4.132 20 0 HIADMM Cc1csc(CCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000443937173 868474795 /nfs/dbraw/zinc/47/47/95/868474795.db2.gz MDMIADQVUPXQNX-UHFFFAOYSA-N -1 1 415.540 4.132 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000443974013 868503264 /nfs/dbraw/zinc/50/32/64/868503264.db2.gz RPKYHBVKOSSTTO-UHFFFAOYSA-N -1 1 418.541 4.032 20 0 HIADMM O=S(=O)([N-]CC1CCSCC1)c1ccc(Br)c(Cl)c1Cl ZINC000444069303 868601370 /nfs/dbraw/zinc/60/13/70/868601370.db2.gz HCUCVYNBXRDXRJ-UHFFFAOYSA-N -1 1 419.193 4.177 20 0 HIADMM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)s1 ZINC000444352844 868781850 /nfs/dbraw/zinc/78/18/50/868781850.db2.gz PCMIGLHUJALSLP-CYBMUJFWSA-N -1 1 417.531 4.261 20 0 HIADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2c(C)onc2-c2ccccc2Cl)s1 ZINC000444470322 868842391 /nfs/dbraw/zinc/84/23/91/868842391.db2.gz ZEINKWLAPRFULM-UHFFFAOYSA-N -1 1 400.851 4.106 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000444533449 868872323 /nfs/dbraw/zinc/87/23/23/868872323.db2.gz ZOPOVQUTZFLVHM-UHFFFAOYSA-N -1 1 407.436 4.269 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCCC12CCC2 ZINC000444620167 868912646 /nfs/dbraw/zinc/91/26/46/868912646.db2.gz RYXFHSFESQWCJS-UHFFFAOYSA-N -1 1 402.491 4.094 20 0 HIADMM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000444623632 868914729 /nfs/dbraw/zinc/91/47/29/868914729.db2.gz JWPSRADXVMXALL-QGZVFWFLSA-N -1 1 420.435 4.103 20 0 HIADMM C[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc(O)c1 ZINC000444953801 869125707 /nfs/dbraw/zinc/12/57/07/869125707.db2.gz WMSFWSWDBVUNRS-HNNXBMFYSA-N -1 1 411.483 4.076 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1 ZINC000445253930 869308943 /nfs/dbraw/zinc/30/89/43/869308943.db2.gz OIODCHFKKQBKGE-UHFFFAOYSA-N -1 1 418.858 4.189 20 0 HIADMM COc1cc(-c2noc(-c3cnc([C@@H]4CCCO4)s3)n2)cc(Br)c1[O-] ZINC000445391152 869477327 /nfs/dbraw/zinc/47/73/27/869477327.db2.gz JXUUPJZVVJXUMK-JTQLQIEISA-N -1 1 424.276 4.188 20 0 HIADMM COc1cc(-c2noc([C@@H]3CCOc4ccccc43)n2)cc(Br)c1[O-] ZINC000445392141 869478552 /nfs/dbraw/zinc/47/85/52/869478552.db2.gz NTWBWQBUKLZDLV-GFCCVEGCSA-N -1 1 403.232 4.128 20 0 HIADMM COc1cc(-c2noc([C@H](C)Oc3ccc(F)cc3)n2)cc(Br)c1[O-] ZINC000445392868 869478792 /nfs/dbraw/zinc/47/87/92/869478792.db2.gz OYFZVMWOGXTPTO-VIFPVBQESA-N -1 1 409.211 4.492 20 0 HIADMM COc1cc(-c2noc(/C=C\c3ccc4c(c3)OCO4)n2)cc(Br)c1[O-] ZINC000445395001 869480145 /nfs/dbraw/zinc/48/01/45/869480145.db2.gz SFHFGAAWUIIMKQ-HYXAFXHYSA-N -1 1 417.215 4.112 20 0 HIADMM COc1ccc(/C=C\c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000445395287 869481574 /nfs/dbraw/zinc/48/15/74/869481574.db2.gz WSWFSXFXTOQGSS-YVMONPNESA-N -1 1 403.232 4.392 20 0 HIADMM COc1ccc(/C=C/c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1O ZINC000445396179 869481660 /nfs/dbraw/zinc/48/16/60/869481660.db2.gz ZLMOMTDIGYYBHG-GQCTYLIASA-N -1 1 419.231 4.098 20 0 HIADMM COc1cccc([C@@H](C)c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1 ZINC000445401900 869486938 /nfs/dbraw/zinc/48/69/38/869486938.db2.gz KKBOPDAXRNFKLR-SNVBAGLBSA-N -1 1 405.248 4.374 20 0 HIADMM CCOc1cc(-c2noc(CC[C@@H]3Cc4ccccc4NC3=O)n2)cc(Cl)c1[O-] ZINC000445408242 869492134 /nfs/dbraw/zinc/49/21/34/869492134.db2.gz BMQCDEIYAXCYRH-CYBMUJFWSA-N -1 1 413.861 4.238 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CC(=O)N(c4ccccc4F)C3)n2)cc(Cl)c1[O-] ZINC000445409877 869493346 /nfs/dbraw/zinc/49/33/46/869493346.db2.gz BZNQGWVTUQYQLA-GFCCVEGCSA-N -1 1 417.824 4.154 20 0 HIADMM CCOc1cc(-c2noc(C[C@H](NC(C)=O)c3ccc(C)cc3)n2)cc(Cl)c1[O-] ZINC000445425609 869509658 /nfs/dbraw/zinc/50/96/58/869509658.db2.gz DSIICPZCDUAESO-KRWDZBQOSA-N -1 1 415.877 4.223 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CC(=O)Nc4cc(F)ccc43)n2)cc(Cl)c1[O-] ZINC000445430421 869514473 /nfs/dbraw/zinc/51/44/73/869514473.db2.gz JICIOQQUDIRECG-GFCCVEGCSA-N -1 1 403.797 4.108 20 0 HIADMM CCOc1cc(-c2noc(Cc3cc(OC)c(OC)c(OC)c3)n2)cc(Cl)c1[O-] ZINC000445430836 869515555 /nfs/dbraw/zinc/51/55/55/869515555.db2.gz KFZKRYTYABZKHL-UHFFFAOYSA-N -1 1 420.849 4.111 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CCCN(C(=O)NCC(C)C)C3)n2)cc(Cl)c1[O-] ZINC000445432977 869517805 /nfs/dbraw/zinc/51/78/05/869517805.db2.gz VUZAMBCKJOHKPC-CYBMUJFWSA-N -1 1 422.913 4.039 20 0 HIADMM O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445443688 869525966 /nfs/dbraw/zinc/52/59/66/869525966.db2.gz DCGRBUNGQJGRCZ-AWEZNQCLSA-N -1 1 408.266 4.405 20 0 HIADMM O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000445454594 869532551 /nfs/dbraw/zinc/53/25/51/869532551.db2.gz MKPZDWTXNKVSNU-CYBMUJFWSA-N -1 1 401.825 4.255 20 0 HIADMM Cc1ncsc1-c1nc2ccccc2n1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483080 869554687 /nfs/dbraw/zinc/55/46/87/869554687.db2.gz VBJNTOZBMHARPL-UHFFFAOYSA-N -1 1 407.430 4.411 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc([C@H]4CCCOC4)no3)c2)c1 ZINC000445519412 869580735 /nfs/dbraw/zinc/58/07/35/869580735.db2.gz GUUOPXHTUBCBCH-KRWDZBQOSA-N -1 1 413.499 4.048 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(C3CCSCC3)no2)cc1 ZINC000445546854 869604890 /nfs/dbraw/zinc/60/48/90/869604890.db2.gz FDGSACHPYVLVOT-UHFFFAOYSA-N -1 1 415.540 4.456 20 0 HIADMM O=C(Nc1ccc(-c2nc(-c3cncs3)no2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000445581070 869641310 /nfs/dbraw/zinc/64/13/10/869641310.db2.gz XGGPMDIOFDCPPK-UHFFFAOYSA-N -1 1 400.366 4.096 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4cncs4)no3)c2)cc1F ZINC000445602376 869667452 /nfs/dbraw/zinc/66/74/52/869667452.db2.gz URGHRWDETPKPEC-UHFFFAOYSA-N -1 1 416.459 4.108 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(C2CC2)cn1 ZINC000445829095 869849233 /nfs/dbraw/zinc/84/92/33/869849233.db2.gz FKJCVYSUGHVMTG-UHFFFAOYSA-N -1 1 411.458 4.151 20 0 HIADMM O=C(Cc1ccc(F)c(F)c1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000445830723 869849747 /nfs/dbraw/zinc/84/97/47/869849747.db2.gz YXYDPPZDCISNFH-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM CC(=O)c1ccccc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468420923 882364930 /nfs/dbraw/zinc/36/49/30/882364930.db2.gz QMXOMLDIVRWYKM-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](C(C)C)C3)c2)cc1 ZINC000446519258 870437546 /nfs/dbraw/zinc/43/75/46/870437546.db2.gz GJGKOBFHJXIBAR-SFHVURJKSA-N -1 1 416.543 4.004 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C(C)C)C3)cc2)cc1 ZINC000446519018 870437776 /nfs/dbraw/zinc/43/77/76/870437776.db2.gz SNHJGGUTRDKYAD-SFHVURJKSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](C(C)C)C2)c1 ZINC000446524206 870440757 /nfs/dbraw/zinc/44/07/57/870440757.db2.gz TUGBWWZXCVOARV-SFHVURJKSA-N -1 1 400.544 4.222 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccnc2-c2ccc(C)s2)c(=O)[n-]1 ZINC000446605144 870511169 /nfs/dbraw/zinc/51/11/69/870511169.db2.gz KSSPMEUSBGCSKH-UHFFFAOYSA-N -1 1 400.529 4.216 20 0 HIADMM C[C@@]1(c2ccccc2)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000446686224 870600788 /nfs/dbraw/zinc/60/07/88/870600788.db2.gz AERROWLVSNQGCY-XMMPIXPASA-N -1 1 420.534 4.291 20 0 HIADMM COc1ccc(F)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000446695106 870612819 /nfs/dbraw/zinc/61/28/19/870612819.db2.gz WJWSWFMFTGTHGI-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000468491146 882472180 /nfs/dbraw/zinc/47/21/80/882472180.db2.gz DJIUYJBHMKUXLA-UWJYYQICSA-N -1 1 406.530 4.028 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)cc1 ZINC000447266380 871147640 /nfs/dbraw/zinc/14/76/40/871147640.db2.gz WMSHADHOOMDJKB-UHFFFAOYSA-N -1 1 420.437 4.142 20 0 HIADMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000447265230 871147749 /nfs/dbraw/zinc/14/77/49/871147749.db2.gz GBAHCCXGAZCACN-UHFFFAOYSA-N -1 1 415.437 4.264 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1F)N1CCCC1 ZINC000447266005 871148854 /nfs/dbraw/zinc/14/88/54/871148854.db2.gz JLVQWZBQCDFMHY-UHFFFAOYSA-N -1 1 402.491 4.130 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(CC)C(C)C)c2)cc1 ZINC000447267192 871152105 /nfs/dbraw/zinc/15/21/05/871152105.db2.gz ZZEYGAUWFDYATR-UHFFFAOYSA-N -1 1 424.950 4.410 20 0 HIADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c1 ZINC000447268995 871154982 /nfs/dbraw/zinc/15/49/82/871154982.db2.gz YZKHMMMMYUULKE-UHFFFAOYSA-N -1 1 416.430 4.129 20 0 HIADMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000447274068 871161308 /nfs/dbraw/zinc/16/13/08/871161308.db2.gz KOJXITFPBGKKAD-UHFFFAOYSA-N -1 1 415.437 4.264 20 0 HIADMM COC(=O)c1cc([N-]C(=O)c2c(F)ccc(Br)c2F)c(F)cc1F ZINC000447314237 871208366 /nfs/dbraw/zinc/20/83/66/871208366.db2.gz MCIQVVXGFWVGAP-UHFFFAOYSA-N -1 1 406.129 4.044 20 0 HIADMM Cc1oc(-c2cccs2)nc1CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447494670 871373837 /nfs/dbraw/zinc/37/38/37/871373837.db2.gz ZQZBCUJOSNMACE-UHFFFAOYSA-N -1 1 403.460 4.215 20 0 HIADMM Cc1oc(-c2cccs2)nc1CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447494670 871373854 /nfs/dbraw/zinc/37/38/54/871373854.db2.gz ZQZBCUJOSNMACE-UHFFFAOYSA-N -1 1 403.460 4.215 20 0 HIADMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1cccc2nc[nH]c21 ZINC000447632493 871542661 /nfs/dbraw/zinc/54/26/61/871542661.db2.gz KNIHXVZHEDJSJU-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1cc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000447635346 871546163 /nfs/dbraw/zinc/54/61/63/871546163.db2.gz ZRVGTLPQZHXRJB-QFIPXVFZSA-N -1 1 420.484 4.256 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](CC(C)C)c3ccccc3)c2)n1 ZINC000447676753 871609227 /nfs/dbraw/zinc/60/92/27/871609227.db2.gz GFBFXCZWZSQLGK-FQEVSTJZSA-N -1 1 420.513 4.095 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2csnn2)cc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447778661 871708856 /nfs/dbraw/zinc/70/88/56/871708856.db2.gz JVKMMRHPXIOALU-UHFFFAOYSA-N -1 1 403.382 4.164 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)cc1OC ZINC000447894136 871805626 /nfs/dbraw/zinc/80/56/26/871805626.db2.gz RMTYENYCFOCMKW-UHFFFAOYSA-N -1 1 413.927 4.004 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)c1 ZINC000448039246 871872078 /nfs/dbraw/zinc/87/20/78/871872078.db2.gz PPEZXJNSZPXKJD-UHFFFAOYSA-N -1 1 422.934 4.119 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CC)c(Cl)c2)c1 ZINC000448047024 871878240 /nfs/dbraw/zinc/87/82/40/871878240.db2.gz CVOVBLKRGGDZTJ-UHFFFAOYSA-N -1 1 422.934 4.216 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)c1 ZINC000448124917 871997071 /nfs/dbraw/zinc/99/70/71/871997071.db2.gz CMWKTZSRSJRWEI-UHFFFAOYSA-N -1 1 419.568 4.492 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)ccc1F ZINC000448129412 872002453 /nfs/dbraw/zinc/00/24/53/872002453.db2.gz NLMKIGINRVTYGD-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM COc1cc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc(Cl)c1[O-] ZINC000460192672 872764919 /nfs/dbraw/zinc/76/49/19/872764919.db2.gz KUYWTSXGZUSIDJ-UHFFFAOYSA-N -1 1 410.297 4.186 20 0 HIADMM Cc1c(=O)[n-]c(SCc2nc(-c3ccc4c(c3)OCO4)no2)nc1-c1ccccc1 ZINC000460442693 873112033 /nfs/dbraw/zinc/11/20/33/873112033.db2.gz GWMHZOSFUXPOBQ-UHFFFAOYSA-N -1 1 420.450 4.229 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c1 ZINC000460444744 873113554 /nfs/dbraw/zinc/11/35/54/873113554.db2.gz CNXRYDMUFHBHDS-MRXNPFEDSA-N -1 1 412.515 4.007 20 0 HIADMM CCN(CC)C(=O)COc1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460447322 873117770 /nfs/dbraw/zinc/11/77/70/873117770.db2.gz ISHAGRHAAUSJPB-UHFFFAOYSA-N -1 1 418.559 4.032 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1OCCC ZINC000460463001 873145379 /nfs/dbraw/zinc/14/53/79/873145379.db2.gz YAUIYTHVILTYGH-UHFFFAOYSA-N -1 1 420.531 4.048 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460825920 873711068 /nfs/dbraw/zinc/71/10/68/873711068.db2.gz ZPJJILYQPGJOEG-UHFFFAOYSA-N -1 1 413.499 4.334 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1Br ZINC000460825861 873711525 /nfs/dbraw/zinc/71/15/25/873711525.db2.gz YIRHUTXJQRGZBO-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cccc(C(C)C)c2)cccc1C(=O)N1CCSCC1 ZINC000460832140 873718725 /nfs/dbraw/zinc/71/87/25/873718725.db2.gz OZQFEHOAILMRGQ-UHFFFAOYSA-N -1 1 418.584 4.108 20 0 HIADMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460839596 873729364 /nfs/dbraw/zinc/72/93/64/873729364.db2.gz WGNFXZSBLSNRCT-UHFFFAOYSA-N -1 1 404.507 4.224 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460982547 873872780 /nfs/dbraw/zinc/87/27/80/873872780.db2.gz XZZHOXBJFLGEIP-HXUWFJFHSA-N -1 1 414.502 4.031 20 0 HIADMM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-]c2c(C)cccc2Cl)cn1 ZINC000461111131 874034663 /nfs/dbraw/zinc/03/46/63/874034663.db2.gz GTSJAGZOUVWBAE-UHFFFAOYSA-N -1 1 412.298 4.297 20 0 HIADMM COCCCCc1cccnc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000461184740 874173629 /nfs/dbraw/zinc/17/36/29/874173629.db2.gz HPMZWMDQVIGFPZ-UHFFFAOYSA-N -1 1 403.331 4.299 20 0 HIADMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000461282230 874289141 /nfs/dbraw/zinc/28/91/41/874289141.db2.gz MMASJFPTMPTZHB-IBGZPJMESA-N -1 1 422.550 4.465 20 0 HIADMM O=S(=O)([N-]c1cccc(C2CCC2)c1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000461338201 874349491 /nfs/dbraw/zinc/34/94/91/874349491.db2.gz GJGBCAHOSPKFPJ-HNNXBMFYSA-N -1 1 405.491 4.309 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(C(C)C)CC3)c2)cc1F ZINC000461411595 874428341 /nfs/dbraw/zinc/42/83/41/874428341.db2.gz PGXFXCOPUJUXEP-UHFFFAOYSA-N -1 1 418.534 4.443 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C4CC4)ccn3)cc2)cc1 ZINC000461420651 874444396 /nfs/dbraw/zinc/44/43/96/874444396.db2.gz AQZOQSVJGVJVCH-UHFFFAOYSA-N -1 1 423.494 4.021 20 0 HIADMM CCCC[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000461426574 874462704 /nfs/dbraw/zinc/46/27/04/874462704.db2.gz OANACJVTASQXDG-CQSZACIVSA-N -1 1 410.486 4.416 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000461435704 874487818 /nfs/dbraw/zinc/48/78/18/874487818.db2.gz KDCMREMLKWWOBB-XMLVGPMBSA-N -1 1 422.916 4.262 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000461442990 874498788 /nfs/dbraw/zinc/49/87/88/874498788.db2.gz JMRAHNKJZCBMKX-IUIBJCPJSA-N -1 1 412.921 4.151 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000461487052 874549436 /nfs/dbraw/zinc/54/94/36/874549436.db2.gz GUQCWLQFUUPGLC-IERDGZPVSA-N -1 1 416.518 4.340 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]4CCC[C@@H]43)cc2)ccc1F ZINC000461503158 874577914 /nfs/dbraw/zinc/57/79/14/874577914.db2.gz PAKVIOYZUVUKJK-KKSFZXQISA-N -1 1 416.518 4.340 20 0 HIADMM CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000468777424 882855456 /nfs/dbraw/zinc/85/54/56/882855456.db2.gz BPMYCNIDJXXNGB-UHFFFAOYSA-N -1 1 418.437 4.345 20 0 HIADMM CCCC1(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000468798391 882864392 /nfs/dbraw/zinc/86/43/92/882864392.db2.gz CHDYTKPLBCGLCH-UHFFFAOYSA-N -1 1 400.544 4.416 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000462715833 875796014 /nfs/dbraw/zinc/79/60/14/875796014.db2.gz WUEAMWFDTJQRSB-GFCCVEGCSA-N -1 1 408.889 4.278 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000463273934 876330526 /nfs/dbraw/zinc/33/05/26/876330526.db2.gz NZWPBOIYCYZVPB-UHFFFAOYSA-N -1 1 401.513 4.214 20 0 HIADMM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)C2 ZINC000463392387 876447263 /nfs/dbraw/zinc/44/72/63/876447263.db2.gz QSVGSOJRCCLONB-JOCHJYFZSA-N -1 1 422.506 4.046 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2C)c1 ZINC000463448053 876508217 /nfs/dbraw/zinc/50/82/17/876508217.db2.gz CRQNXUVNFBIASR-UHFFFAOYSA-N -1 1 400.422 4.385 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1Cl ZINC000463528711 876602869 /nfs/dbraw/zinc/60/28/69/876602869.db2.gz QXQWVSBZYLVFFT-UHFFFAOYSA-N -1 1 410.948 4.099 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1OC(C)C ZINC000463789658 876908848 /nfs/dbraw/zinc/90/88/48/876908848.db2.gz VTYCUBLKSWJEBM-UHFFFAOYSA-N -1 1 400.294 4.046 20 0 HIADMM CC[C@@H](C)C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000463889530 877010991 /nfs/dbraw/zinc/01/09/91/877010991.db2.gz BCTSTHXIPYFQST-KGLIPLIRSA-N -1 1 410.486 4.320 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc[nH]3)c2)cc1 ZINC000469031944 883099412 /nfs/dbraw/zinc/09/94/12/883099412.db2.gz VPOSFSCEZSTGKC-UHFFFAOYSA-N -1 1 411.527 4.088 20 0 HIADMM CCc1cnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)s1 ZINC000464087638 877241387 /nfs/dbraw/zinc/24/13/87/877241387.db2.gz BLQIVRJHMVWMDH-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM CCc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)s1 ZINC000464101432 877258600 /nfs/dbraw/zinc/25/86/00/877258600.db2.gz LDRNWVHDYMKKGV-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000464170316 877336802 /nfs/dbraw/zinc/33/68/02/877336802.db2.gz OWLQKTKSJZZFCD-UHFFFAOYSA-N -1 1 409.515 4.140 20 0 HIADMM O=S(=O)([N-][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cccc(F)c1F ZINC000503245668 912227610 /nfs/dbraw/zinc/22/76/10/912227610.db2.gz VKOWIFHOFLSUCN-KRWDZBQOSA-N -1 1 408.857 4.276 20 0 HIADMM CN(CCc1cccs1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000464348635 877540774 /nfs/dbraw/zinc/54/07/74/877540774.db2.gz QJIDEJFQKXLMFF-UHFFFAOYSA-N -1 1 418.515 4.003 20 0 HIADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)n1 ZINC000464356712 877551465 /nfs/dbraw/zinc/55/14/65/877551465.db2.gz QAJCHEKVXPDWEF-UHFFFAOYSA-N -1 1 408.314 4.601 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC000464599236 877826018 /nfs/dbraw/zinc/82/60/18/877826018.db2.gz BDMMTIVCUQECQR-QFIPXVFZSA-N -1 1 400.544 4.448 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC000464605340 877835159 /nfs/dbraw/zinc/83/51/59/877835159.db2.gz ZJJFVBADFGVOGX-QFIPXVFZSA-N -1 1 416.543 4.148 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000464715536 877942761 /nfs/dbraw/zinc/94/27/61/877942761.db2.gz TVRASYFSQPHXTD-OAHLLOKOSA-N -1 1 424.563 4.196 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccncc1Cl ZINC000465058822 878421542 /nfs/dbraw/zinc/42/15/42/878421542.db2.gz YCXRBKINGMNTTK-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000465291313 878730211 /nfs/dbraw/zinc/73/02/11/878730211.db2.gz MCIWVQNNUNKCMD-VQIMIIECSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000465293152 878731867 /nfs/dbraw/zinc/73/18/67/878731867.db2.gz YDIGQNXACXDVCU-KSSFIOAISA-N -1 1 404.507 4.196 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000465296905 878738428 /nfs/dbraw/zinc/73/84/28/878738428.db2.gz HOXBSNRIGIWWMR-KXBFYZLASA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000465296867 878738889 /nfs/dbraw/zinc/73/88/89/878738889.db2.gz SDGLMPFEKKHAPP-KBXCAEBGSA-N -1 1 404.507 4.196 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000465296903 878738986 /nfs/dbraw/zinc/73/89/86/878738986.db2.gz HOXBSNRIGIWWMR-DNVCBOLYSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1nc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000465400407 878836789 /nfs/dbraw/zinc/83/67/89/878836789.db2.gz WXWBTRBKWXAJTE-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000466474619 880256837 /nfs/dbraw/zinc/25/68/37/880256837.db2.gz QFONUEQWZVAQLS-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)ccc1OC(C)C ZINC000467080629 880852882 /nfs/dbraw/zinc/85/28/82/880852882.db2.gz VOSQEVBUTGTICP-UHFFFAOYSA-N -1 1 419.543 4.467 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccncc3)c2)cc1 ZINC000467088684 880855899 /nfs/dbraw/zinc/85/58/99/880855899.db2.gz CZKAMYQYXDVLMK-UHFFFAOYSA-N -1 1 423.538 4.244 20 0 HIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)NCCc2ccc(F)cc2)nc1-c1ccccc1 ZINC000467202995 880932631 /nfs/dbraw/zinc/93/26/31/880932631.db2.gz VMRRCNMQTRMFRM-HNNXBMFYSA-N -1 1 411.502 4.136 20 0 HIADMM COc1ccccc1[C@H](C)N(C)C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467202747 880933047 /nfs/dbraw/zinc/93/30/47/880933047.db2.gz SCHGEDWHDPATSG-INIZCTEOSA-N -1 1 423.538 4.478 20 0 HIADMM Cc1ccc(NC(=O)C2CCC(=O)CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000467249810 880978216 /nfs/dbraw/zinc/97/82/16/880978216.db2.gz GVPUILXIWXBKHJ-UHFFFAOYSA-N -1 1 420.918 4.147 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc4[nH]c(C5CCC5)nc4c3)c3cccc1c23 ZINC000467396900 881180125 /nfs/dbraw/zinc/18/01/25/881180125.db2.gz ODZXSQNREJGNHJ-UHFFFAOYSA-N -1 1 418.478 4.350 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)CNc3ccccc3)c2)cc1 ZINC000467511875 881325404 /nfs/dbraw/zinc/32/54/04/881325404.db2.gz QUTJJJQQSLVJKN-GOSISDBHSA-N -1 1 423.538 4.026 20 0 HIADMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2nccnc2Sc2ccccc2)s1 ZINC000469878129 884068216 /nfs/dbraw/zinc/06/82/16/884068216.db2.gz FLJSMCNUFZHPTP-UHFFFAOYSA-N -1 1 423.498 4.846 20 0 HIADMM CC(C)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]n1 ZINC000469993240 884207972 /nfs/dbraw/zinc/20/79/72/884207972.db2.gz TUZKPPPWSAUPIR-UHFFFAOYSA-N -1 1 401.332 4.372 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccc(I)cc2)CC1 ZINC000503725927 912811611 /nfs/dbraw/zinc/81/16/11/912811611.db2.gz GJRMQHJAXBZXTJ-UHFFFAOYSA-N -1 1 413.642 4.321 20 0 HIADMM O=C(Nc1cccc(OCCF)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000470233352 884559950 /nfs/dbraw/zinc/55/99/50/884559950.db2.gz PHHVKADVVIOYAW-UHFFFAOYSA-N -1 1 414.458 4.088 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nc(C)cs3)c(F)c2)cc1F ZINC000470262163 884607013 /nfs/dbraw/zinc/60/70/13/884607013.db2.gz BDASJUVESCJUIK-UHFFFAOYSA-N -1 1 412.439 4.331 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3nc(C)cs3)c(F)c2)c1 ZINC000470262918 884609574 /nfs/dbraw/zinc/60/95/74/884609574.db2.gz IBYUXGBYGFRZFT-UHFFFAOYSA-N -1 1 406.460 4.386 20 0 HIADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(Br)c2)c1 ZINC000470453238 884848681 /nfs/dbraw/zinc/84/86/81/884848681.db2.gz UNMGGZJZYNKTKV-UHFFFAOYSA-N -1 1 414.321 4.185 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000470456594 884851487 /nfs/dbraw/zinc/85/14/87/884851487.db2.gz XUZREVXPEWKTPQ-UHFFFAOYSA-N -1 1 401.822 4.045 20 0 HIADMM CCCOc1cc(F)ccc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000470892998 885388630 /nfs/dbraw/zinc/38/86/30/885388630.db2.gz QAJYOHDDEIRSNG-UHFFFAOYSA-N -1 1 410.449 4.052 20 0 HIADMM Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)[nH]1 ZINC000471174690 885733730 /nfs/dbraw/zinc/73/37/30/885733730.db2.gz AZYWTTUOARNQAN-UHFFFAOYSA-N -1 1 403.891 4.338 20 0 HIADMM C[C@H](COc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000471490881 886190068 /nfs/dbraw/zinc/19/00/68/886190068.db2.gz AXSHAIABQFMQGQ-QGZVFWFLSA-N -1 1 410.495 4.141 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)ccc1F ZINC000471591201 886302666 /nfs/dbraw/zinc/30/26/66/886302666.db2.gz SJMKKNMVRJFTHZ-UHFFFAOYSA-N -1 1 420.506 4.040 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)ccc1F ZINC000471600522 886315336 /nfs/dbraw/zinc/31/53/36/886315336.db2.gz CHSHWBIDJLECOX-UHFFFAOYSA-N -1 1 421.494 4.043 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)CC3(C)C)c2)cc1 ZINC000471720354 886431129 /nfs/dbraw/zinc/43/11/29/886431129.db2.gz IQDYAKYYMVDHHL-INIZCTEOSA-N -1 1 416.543 4.147 20 0 HIADMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc(OC)ccc3Cl)n2)cc1 ZINC000471894561 886676971 /nfs/dbraw/zinc/67/69/71/886676971.db2.gz DQQBDQONJNNZCX-GFCCVEGCSA-N -1 1 421.906 4.001 20 0 HIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3C)c2)n1 ZINC000471922436 886711962 /nfs/dbraw/zinc/71/19/62/886711962.db2.gz GFUCEAXDNZTKLL-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@@H](C(C)C)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471974098 886805045 /nfs/dbraw/zinc/80/50/45/886805045.db2.gz WKNRIKSWGITYTA-QGZVFWFLSA-N -1 1 404.507 4.053 20 0 HIADMM CC(C)OCCCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472590492 887467418 /nfs/dbraw/zinc/46/74/18/887467418.db2.gz QHPAVRSNRUVZMU-UHFFFAOYSA-N -1 1 419.168 4.239 20 0 HIADMM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000473015227 887842664 /nfs/dbraw/zinc/84/26/64/887842664.db2.gz MHYWQAKMVDVRLU-JSGCOSHPSA-N -1 1 406.276 4.223 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000473280437 888037349 /nfs/dbraw/zinc/03/73/49/888037349.db2.gz BLTVFJHMZBRURH-UHFFFAOYSA-N -1 1 413.359 4.239 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCCC2(CCC2)C1 ZINC000473323470 888063933 /nfs/dbraw/zinc/06/39/33/888063933.db2.gz FVPZVCXCCDXTMC-UHFFFAOYSA-N -1 1 416.518 4.341 20 0 HIADMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000473411618 888129734 /nfs/dbraw/zinc/12/97/34/888129734.db2.gz MOSMIZHZRJGIGJ-UHFFFAOYSA-N -1 1 401.282 4.307 20 0 HIADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)c1 ZINC000473474637 888198500 /nfs/dbraw/zinc/19/85/00/888198500.db2.gz XLZZHRRVJZRIQM-UHFFFAOYSA-N -1 1 414.483 4.244 20 0 HIADMM COc1ccc2nc(-c3nc4cc(Br)c(F)cc4c(=O)[n-]3)ccc2c1 ZINC000504467072 913267409 /nfs/dbraw/zinc/26/74/09/913267409.db2.gz IPKHQXREPVSOLV-UHFFFAOYSA-N -1 1 400.207 4.461 20 0 HIADMM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000474073654 888900182 /nfs/dbraw/zinc/90/01/82/888900182.db2.gz INSLQPGZPHSBMX-KBPBESRZSA-N -1 1 420.918 4.085 20 0 HIADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000474086647 888911413 /nfs/dbraw/zinc/91/14/13/888911413.db2.gz CTPNNFKLIDNWEX-ACJLOTCBSA-N -1 1 410.923 4.140 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H]1CC12CCCC2 ZINC000474494384 889354872 /nfs/dbraw/zinc/35/48/72/889354872.db2.gz JRFDNQWJVFLYSB-INIZCTEOSA-N -1 1 406.454 4.284 20 0 HIADMM Cc1cc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)ccc1F ZINC000474539543 889414065 /nfs/dbraw/zinc/41/40/65/889414065.db2.gz KWGQOOQBGQOGCM-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000474754556 889613397 /nfs/dbraw/zinc/61/33/97/889613397.db2.gz SHTPKBCXUVFYKH-JSGCOSHPSA-N -1 1 407.967 4.449 20 0 HIADMM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000474827686 889682452 /nfs/dbraw/zinc/68/24/52/889682452.db2.gz BHRMARVWDNCOPE-HNNXBMFYSA-N -1 1 424.545 4.363 20 0 HIADMM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000474827687 889682901 /nfs/dbraw/zinc/68/29/01/889682901.db2.gz BHRMARVWDNCOPE-OAHLLOKOSA-N -1 1 424.545 4.363 20 0 HIADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474830708 889688529 /nfs/dbraw/zinc/68/85/29/889688529.db2.gz GYSPNFHABIPUTH-BRWVUGGUSA-N -1 1 401.532 4.386 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000475322149 890242908 /nfs/dbraw/zinc/24/29/08/890242908.db2.gz ZZHOJNZFQSNOHR-IAGOWNOFSA-N -1 1 422.934 4.380 20 0 HIADMM CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000475536620 890461455 /nfs/dbraw/zinc/46/14/55/890461455.db2.gz JFEPTMRWPXZYMU-YLJYHZDGSA-N -1 1 400.544 4.320 20 0 HIADMM O=C(NC[C@@H]1CCCC(F)(F)C1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000504730052 913467883 /nfs/dbraw/zinc/46/78/83/913467883.db2.gz IMDPGYHDLMEKJI-OAHLLOKOSA-N -1 1 423.485 4.434 20 0 HIADMM Cc1cc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)sc1C ZINC000475719925 890658328 /nfs/dbraw/zinc/65/83/28/890658328.db2.gz AVIYBNPZZCTMRO-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3ccccc3COC)ccc2s1 ZINC000475785497 890726897 /nfs/dbraw/zinc/72/68/97/890726897.db2.gz FBUNOJLMESTZPK-UHFFFAOYSA-N -1 1 405.497 4.025 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c(Br)c1 ZINC000475787886 890727894 /nfs/dbraw/zinc/72/78/94/890727894.db2.gz OWBDYTGSVMQVPN-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2Br)c(C)c1 ZINC000475802829 890738877 /nfs/dbraw/zinc/73/88/77/890738877.db2.gz FHTDVSOHTTUCOE-UHFFFAOYSA-N -1 1 414.321 4.356 20 0 HIADMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3ccccc3CCOC)ccc2s1 ZINC000475809844 890744391 /nfs/dbraw/zinc/74/43/91/890744391.db2.gz ISLQAVRZBKDNPT-UHFFFAOYSA-N -1 1 419.524 4.068 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2-c2csc(C)n2)ccc1F ZINC000475838473 890771519 /nfs/dbraw/zinc/77/15/19/890771519.db2.gz XMSYZVDTXKVHQF-UHFFFAOYSA-N -1 1 405.476 4.017 20 0 HIADMM CSC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000476037015 890968758 /nfs/dbraw/zinc/96/87/58/890968758.db2.gz ZMVGFQMNBULDTK-UHFFFAOYSA-N -1 1 410.948 4.283 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1CCCc2c(O)cccc21 ZINC000476063668 890992875 /nfs/dbraw/zinc/99/28/75/890992875.db2.gz MVNLLZLCFSYACE-OAQYLSRUSA-N -1 1 422.506 4.252 20 0 HIADMM CCCCc1nnc([N-]C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)s1 ZINC000476153145 891077457 /nfs/dbraw/zinc/07/74/57/891077457.db2.gz LDIWNXGDNYTSST-UHFFFAOYSA-N -1 1 411.318 4.329 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000476173902 891103477 /nfs/dbraw/zinc/10/34/77/891103477.db2.gz VWXSTIWCVVZBKR-NRFANRHFSA-N -1 1 420.534 4.426 20 0 HIADMM Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(O)c(C(F)(F)F)c3)n2)cc1 ZINC000476173307 891103713 /nfs/dbraw/zinc/10/37/13/891103713.db2.gz UUQPFARETBZSPY-UHFFFAOYSA-N -1 1 408.405 4.235 20 0 HIADMM Cc1cccc(F)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000476196491 891128077 /nfs/dbraw/zinc/12/80/77/891128077.db2.gz AUWJCAMAPAMGGP-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3F)c2)cc1 ZINC000476260782 891183050 /nfs/dbraw/zinc/18/30/50/891183050.db2.gz NRVUVNXWHBLWPT-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(F)c1 ZINC000476374332 891288593 /nfs/dbraw/zinc/28/85/93/891288593.db2.gz GKBUGZICNBAWGE-UHFFFAOYSA-N -1 1 416.396 4.081 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)ccc1C ZINC000476386770 891301174 /nfs/dbraw/zinc/30/11/74/891301174.db2.gz QSZDMTJXKQQYGO-UHFFFAOYSA-N -1 1 405.516 4.206 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2C)cc1OC ZINC000476400169 891316843 /nfs/dbraw/zinc/31/68/43/891316843.db2.gz WEMMXXMMHAWEQL-UHFFFAOYSA-N -1 1 413.495 4.392 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000476412731 891326101 /nfs/dbraw/zinc/32/61/01/891326101.db2.gz GPYZJENWQRZJSB-UHFFFAOYSA-N -1 1 405.495 4.343 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)ccc1C ZINC000476430655 891342496 /nfs/dbraw/zinc/34/24/96/891342496.db2.gz PWFUBXLMMIQGPW-UHFFFAOYSA-N -1 1 404.532 4.378 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3n[nH]c4ccc(F)cc43)c2)c1 ZINC000476510835 891424368 /nfs/dbraw/zinc/42/43/68/891424368.db2.gz JYXLHIBZQYYTKW-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c2ccccc12 ZINC000476623870 891559859 /nfs/dbraw/zinc/55/98/59/891559859.db2.gz IBZBYVKCQUSIBE-UHFFFAOYSA-N -1 1 407.451 4.254 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H](C)C3)cc2)ccc1F ZINC000476849072 891821755 /nfs/dbraw/zinc/82/17/55/891821755.db2.gz MSMADJDORSNMPQ-OAHLLOKOSA-N -1 1 404.507 4.197 20 0 HIADMM CCC1(C)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)CC1 ZINC000504915040 913649179 /nfs/dbraw/zinc/64/91/79/913649179.db2.gz QJRWZDROUFOUOE-UHFFFAOYSA-N -1 1 400.544 4.448 20 0 HIADMM Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000477385241 892343041 /nfs/dbraw/zinc/34/30/41/892343041.db2.gz SLKSDJZJOAMSRI-UHFFFAOYSA-N -1 1 414.303 4.290 20 0 HIADMM COc1c2ccccc2[nH]c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000504949159 913689212 /nfs/dbraw/zinc/68/92/12/913689212.db2.gz NORRWGDSPAEIQJ-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000504969492 913707720 /nfs/dbraw/zinc/70/77/20/913707720.db2.gz BSFGPCPZAVXZDQ-FQEVSTJZSA-N -1 1 420.534 4.426 20 0 HIADMM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1F ZINC000504972935 913714115 /nfs/dbraw/zinc/71/41/15/913714115.db2.gz MQTPKKNMELAQCM-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H](C)C2)cc1 ZINC000478053920 893205427 /nfs/dbraw/zinc/20/54/27/893205427.db2.gz ODCKFBBUZJZDOH-OAHLLOKOSA-N -1 1 404.507 4.197 20 0 HIADMM C[C@@H](CN(C)C(=O)c1cc(F)ccc1Sc1ccc(Cl)cc1)c1nn[n-]n1 ZINC000478092631 893257524 /nfs/dbraw/zinc/25/75/24/893257524.db2.gz QYAVNFUXLQSYRF-NSHDSACASA-N -1 1 405.886 4.019 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CC3CCC3)cc2)cc1 ZINC000478274308 893472979 /nfs/dbraw/zinc/47/29/79/893472979.db2.gz CLBPYRRGSQQZFU-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000478281415 893483731 /nfs/dbraw/zinc/48/37/31/893483731.db2.gz FZTMPJJVVKFNJK-LIRRHRJNSA-N -1 1 418.497 4.003 20 0 HIADMM CC[C@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000478282908 893487861 /nfs/dbraw/zinc/48/78/61/893487861.db2.gz RMVIMTPDAOTSKD-HNNXBMFYSA-N -1 1 418.515 4.023 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000478427733 893724574 /nfs/dbraw/zinc/72/45/74/893724574.db2.gz ARPNDNLLUYIJAR-NRFANRHFSA-N -1 1 424.547 4.451 20 0 HIADMM O=C(Cc1ccc(Cl)cc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478459786 893780058 /nfs/dbraw/zinc/78/00/58/893780058.db2.gz OBFHUBZATYERIZ-UHFFFAOYSA-N -1 1 400.887 4.322 20 0 HIADMM COc1cc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc(Cl)c1[O-] ZINC000478482319 893805714 /nfs/dbraw/zinc/80/57/14/893805714.db2.gz BOTZVVVEKPXSDJ-ZDUSSCGKSA-N -1 1 424.202 4.190 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000478518914 893825558 /nfs/dbraw/zinc/82/55/58/893825558.db2.gz AHGGQIYUMZZODR-UHFFFAOYSA-N -1 1 413.499 4.362 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000505142662 913839145 /nfs/dbraw/zinc/83/91/45/913839145.db2.gz NCDFHRSGDKLQBM-OAHLLOKOSA-N -1 1 422.554 4.473 20 0 HIADMM Cc1oc2ccc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)cc2c1C ZINC000478968257 894246624 /nfs/dbraw/zinc/24/66/24/894246624.db2.gz XTAMOEOOGBLTIV-UHFFFAOYSA-N -1 1 402.454 4.487 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000478978171 894254082 /nfs/dbraw/zinc/25/40/82/894254082.db2.gz BNOCKGSNYDQXMW-NHCUHLMSSA-N -1 1 410.470 4.369 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)cc1Cl ZINC000479259227 894526968 /nfs/dbraw/zinc/52/69/68/894526968.db2.gz DRFIHCHHIDXHJQ-UHFFFAOYSA-N -1 1 403.891 4.264 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000479265884 894537168 /nfs/dbraw/zinc/53/71/68/894537168.db2.gz KUCRLVHNESFGDY-INIZCTEOSA-N -1 1 414.658 4.161 20 0 HIADMM CN(Cc1cscn1)Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000479289258 894568498 /nfs/dbraw/zinc/56/84/98/894568498.db2.gz RLRIVEIKQDSBTQ-UHFFFAOYSA-N -1 1 407.948 4.229 20 0 HIADMM COc1ccc(NC(=O)[C@H](C)c2cccc(CC(C)C)c2)cc1[N-]S(C)(=O)=O ZINC000505219936 913890725 /nfs/dbraw/zinc/89/07/25/913890725.db2.gz OEPDVDSHMOQQTN-OAHLLOKOSA-N -1 1 404.532 4.007 20 0 HIADMM C[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C(F)(F)F ZINC000479387750 894689895 /nfs/dbraw/zinc/68/98/95/894689895.db2.gz RUVJNUGBYGZXET-LLVKDONJSA-N -1 1 420.840 4.069 20 0 HIADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000479407345 894714459 /nfs/dbraw/zinc/71/44/59/894714459.db2.gz FECLOLJPTFPGGT-AUUYWEPGSA-N -1 1 404.507 4.196 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](C)[C@H]3CC)cc2)cc1 ZINC000479420537 894730339 /nfs/dbraw/zinc/73/03/39/894730339.db2.gz WZISLHAGOKDJTN-IIBYNOLFSA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000479421523 894732441 /nfs/dbraw/zinc/73/24/41/894732441.db2.gz YBTDOWRMZJHSAE-DJJJIMSYSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000479496130 894814189 /nfs/dbraw/zinc/81/41/89/894814189.db2.gz ADVBNRVJNKMBGJ-UHFFFAOYSA-N -1 1 415.906 4.034 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc2ncsc2c1 ZINC000479512472 894826343 /nfs/dbraw/zinc/82/63/43/894826343.db2.gz LKGCJGKOLUAAAY-UHFFFAOYSA-N -1 1 408.411 4.085 20 0 HIADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(OC[C@@H]4CCOC4)c(F)c3)cc12 ZINC000479546087 894846450 /nfs/dbraw/zinc/84/64/50/894846450.db2.gz VDGCKPMPTIMLQZ-CQSZACIVSA-N -1 1 405.447 4.096 20 0 HIADMM CC(C)(C)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1O ZINC000479556690 894854058 /nfs/dbraw/zinc/85/40/58/894854058.db2.gz REZMPGJNDXDYKI-UHFFFAOYSA-N -1 1 417.405 4.208 20 0 HIADMM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000479562549 894859713 /nfs/dbraw/zinc/85/97/13/894859713.db2.gz JTGNUADCFHLJKF-INIZCTEOSA-N -1 1 423.490 4.297 20 0 HIADMM CCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000479586309 894873177 /nfs/dbraw/zinc/87/31/77/894873177.db2.gz SIPONKXOMSIGSS-CYBMUJFWSA-N -1 1 403.404 4.035 20 0 HIADMM O=C1Cc2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2N1 ZINC000505300042 913960099 /nfs/dbraw/zinc/96/00/99/913960099.db2.gz ODJBAIKZSICTPI-UHFFFAOYSA-N -1 1 424.322 4.020 20 0 HIADMM COCCC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000480091501 895453502 /nfs/dbraw/zinc/45/35/02/895453502.db2.gz DUQKDBJSPLQGBF-KRWDZBQOSA-N -1 1 404.532 4.105 20 0 HIADMM CC[C@@H](C)CN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000480182294 895576234 /nfs/dbraw/zinc/57/62/34/895576234.db2.gz PPPSFGAOZLXQOG-CQSZACIVSA-N -1 1 410.486 4.274 20 0 HIADMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2F)c1 ZINC000480186681 895583130 /nfs/dbraw/zinc/58/31/30/895583130.db2.gz AAJCCIGVWPAXIX-UHFFFAOYSA-N -1 1 413.396 4.225 20 0 HIADMM CC(C)n1cccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000480641567 896010496 /nfs/dbraw/zinc/01/04/96/896010496.db2.gz BQJJQGMDHHNLCW-UHFFFAOYSA-N -1 1 419.453 4.400 20 0 HIADMM Cc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000480811412 896180429 /nfs/dbraw/zinc/18/04/29/896180429.db2.gz LFGUTIPGDFTXSB-UHFFFAOYSA-N -1 1 424.526 4.360 20 0 HIADMM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)CC2 ZINC000480864537 896228687 /nfs/dbraw/zinc/22/86/87/896228687.db2.gz NRLQHKLONMDLQF-GFCCVEGCSA-N -1 1 422.765 4.260 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(-c4csc(C)n4)s3)CCCCC2)no1 ZINC000480960202 896300853 /nfs/dbraw/zinc/30/08/53/896300853.db2.gz MEUUVSCPVVLZJW-UHFFFAOYSA-N -1 1 424.573 4.009 20 0 HIADMM O=C(N[C@@H]1CCCc2c(O)cccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000481203105 896557201 /nfs/dbraw/zinc/55/72/01/896557201.db2.gz SRUYPUHGYSLOEV-OAQYLSRUSA-N -1 1 422.506 4.000 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000505415583 914079775 /nfs/dbraw/zinc/07/97/75/914079775.db2.gz PCEAEARCBPHVRK-UHFFFAOYSA-N -1 1 404.514 4.170 20 0 HIADMM O=S(=O)([N-][C@H]1CC[C@H](c2ccccc2F)C1)c1sccc1Br ZINC000481563513 896940624 /nfs/dbraw/zinc/94/06/24/896940624.db2.gz NZFVJXGSZCWMRH-QWRGUYRKSA-N -1 1 404.326 4.264 20 0 HIADMM CCC(C)(C)OCc1cccc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1C ZINC000481604354 896985232 /nfs/dbraw/zinc/98/52/32/896985232.db2.gz DYNKEYNPWLFTBD-UHFFFAOYSA-N -1 1 420.531 4.165 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000481641299 897025916 /nfs/dbraw/zinc/02/59/16/897025916.db2.gz PENZCPYZWNTSRE-XGAFWQRZSA-N -1 1 424.497 4.303 20 0 HIADMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000481790692 897171133 /nfs/dbraw/zinc/17/11/33/897171133.db2.gz SRLDEAFIZLKTGT-UHFFFAOYSA-N -1 1 405.483 4.475 20 0 HIADMM C[C@H](Oc1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000481943521 897330489 /nfs/dbraw/zinc/33/04/89/897330489.db2.gz FRUWFNDDSDLGEY-INIZCTEOSA-N -1 1 411.479 4.255 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c(Cl)c1Cl ZINC000481969771 897361789 /nfs/dbraw/zinc/36/17/89/897361789.db2.gz DJIBDBTVGXYFFH-UHFFFAOYSA-N -1 1 412.241 4.447 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cc3ccccc3)ccc2O)cc1Cl ZINC000481983413 897377412 /nfs/dbraw/zinc/37/74/12/897377412.db2.gz SPMHPKKPIWEDRQ-UHFFFAOYSA-N -1 1 417.870 4.135 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1cccs1 ZINC000481994109 897389577 /nfs/dbraw/zinc/38/95/77/897389577.db2.gz UYCFYAUQRAOPRC-UHFFFAOYSA-N -1 1 408.888 4.160 20 0 HIADMM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000482402226 897943302 /nfs/dbraw/zinc/94/33/02/897943302.db2.gz JCHCGQYMCCLXJZ-UHFFFAOYSA-N -1 1 411.874 4.393 20 0 HIADMM COc1ccc(C(C)(C)C(=O)Nc2cc(C)cc(Br)c2[O-])cc1OC ZINC000482643887 898248823 /nfs/dbraw/zinc/24/88/23/898248823.db2.gz WYMJONVDEBXNLP-UHFFFAOYSA-N -1 1 408.292 4.397 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)C2(c3cccc(F)c3)CCOCC2)c1 ZINC000482656452 898258973 /nfs/dbraw/zinc/25/89/73/898258973.db2.gz IFZQXTSXYODJCR-UHFFFAOYSA-N -1 1 408.267 4.289 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1 ZINC000482712897 898313425 /nfs/dbraw/zinc/31/34/25/898313425.db2.gz UXFQMIPFHLBFMF-UHFFFAOYSA-N -1 1 406.280 4.245 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccn(C(C)C)n3)c2)c1 ZINC000482816926 898426648 /nfs/dbraw/zinc/42/66/48/898426648.db2.gz RXPUYRMTPXSAHU-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CC(C)c1nn(C)cc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000482919660 898536368 /nfs/dbraw/zinc/53/63/68/898536368.db2.gz UQLCVMUUHMRIJF-UHFFFAOYSA-N -1 1 423.698 4.053 20 0 HIADMM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000483463494 899103241 /nfs/dbraw/zinc/10/32/41/899103241.db2.gz IPNGJMBDPCGDMZ-UHFFFAOYSA-N -1 1 411.512 4.493 20 0 HIADMM CC[C@H]1[C@H](C)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000483704567 899359237 /nfs/dbraw/zinc/35/92/37/899359237.db2.gz WRZQTBDNZRAORK-KUHUBIRLSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccnc1OCc1ccccc1F ZINC000483824092 899502629 /nfs/dbraw/zinc/50/26/29/899502629.db2.gz RAHXSMBAKTURSB-UHFFFAOYSA-N -1 1 404.401 4.148 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)s1 ZINC000484002751 899640842 /nfs/dbraw/zinc/64/08/42/899640842.db2.gz DXBZSVZYRLUTMJ-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(F)cc1Cl ZINC000484158932 899779238 /nfs/dbraw/zinc/77/92/38/899779238.db2.gz CNDMRJDDPKXARD-UHFFFAOYSA-N -1 1 402.838 4.218 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c(F)cc1F ZINC000484215292 899817146 /nfs/dbraw/zinc/81/71/46/899817146.db2.gz BHLSIOOEKHWFRR-UHFFFAOYSA-N -1 1 400.410 4.012 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc3sc(C)nc3cc2Cl)c(=O)[n-]1 ZINC000484707867 900141556 /nfs/dbraw/zinc/14/15/56/900141556.db2.gz ZPNBWQWDCWWYOK-UHFFFAOYSA-N -1 1 408.936 4.355 20 0 HIADMM Cc1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)nn1-c1ccc(F)cc1 ZINC000484765140 900179152 /nfs/dbraw/zinc/17/91/52/900179152.db2.gz FBDLSERWVFSJNB-UHFFFAOYSA-N -1 1 414.853 4.139 20 0 HIADMM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(Br)c([O-])c3)nc2c1 ZINC000484774530 900185961 /nfs/dbraw/zinc/18/59/61/900185961.db2.gz GMEHLGOXZNDZTJ-INIZCTEOSA-N -1 1 400.276 4.317 20 0 HIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(Br)c([O-])c3)[nH]c2c1 ZINC000484774530 900185984 /nfs/dbraw/zinc/18/59/84/900185984.db2.gz GMEHLGOXZNDZTJ-INIZCTEOSA-N -1 1 400.276 4.317 20 0 HIADMM CN(C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)c(Cl)c1 ZINC000485115553 900421186 /nfs/dbraw/zinc/42/11/86/900421186.db2.gz YBPUHRRAULXTTE-UHFFFAOYSA-N -1 1 424.848 4.217 20 0 HIADMM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485115624 900421303 /nfs/dbraw/zinc/42/13/03/900421303.db2.gz YMKOHCRKMMSLDR-UHFFFAOYSA-N -1 1 405.439 4.424 20 0 HIADMM COc1cc(S(=O)(=O)Nc2ccc(OC(C)(C)C)cc2)c(Cl)cc1C(=O)[O-] ZINC000485250258 900535560 /nfs/dbraw/zinc/53/55/60/900535560.db2.gz CQTDWZVQFJIKFV-UHFFFAOYSA-N -1 1 413.879 4.025 20 0 HIADMM CC(=O)Nc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485391401 900687352 /nfs/dbraw/zinc/68/73/52/900687352.db2.gz VOPQRVCJBUMMST-UHFFFAOYSA-N -1 1 404.385 4.221 20 0 HIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1C(F)(F)F ZINC000485392988 900688897 /nfs/dbraw/zinc/68/88/97/900688897.db2.gz JLAXRGZCTWRSKA-UHFFFAOYSA-N -1 1 413.396 4.448 20 0 HIADMM CCc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)ccn1C ZINC000485437410 900734089 /nfs/dbraw/zinc/73/40/89/900734089.db2.gz YYUKNKNDDWRLSE-UHFFFAOYSA-N -1 1 411.527 4.257 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1(c2cccnc2)CCCC1 ZINC000485611708 900869732 /nfs/dbraw/zinc/86/97/32/900869732.db2.gz FHYHBMUNGYRVNM-UHFFFAOYSA-N -1 1 421.522 4.333 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccoc1C(F)(F)F ZINC000485611761 900869791 /nfs/dbraw/zinc/86/97/91/900869791.db2.gz FZMPQXAGSAGVQH-UHFFFAOYSA-N -1 1 410.373 4.352 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485620585 900875902 /nfs/dbraw/zinc/87/59/02/900875902.db2.gz BZQISXRLJWVFSR-BHDDXSALSA-N -1 1 418.541 4.169 20 0 HIADMM CC(=O)Nc1ccc(F)c(NC(=O)c2c([O-])cnc3c(Br)cccc32)c1 ZINC000485632630 900886515 /nfs/dbraw/zinc/88/65/15/900886515.db2.gz XWCHLLAZCYCHNM-UHFFFAOYSA-N -1 1 418.222 4.053 20 0 HIADMM Cc1cc(F)ccc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000485895767 901127191 /nfs/dbraw/zinc/12/71/91/901127191.db2.gz FAYLIKGIRRLMFB-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1cc(F)ccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000485903352 901132380 /nfs/dbraw/zinc/13/23/80/901132380.db2.gz YAKVUYRLPVQEPB-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc(C(=O)[O-])c1C ZINC000486086409 901275730 /nfs/dbraw/zinc/27/57/30/901275730.db2.gz MTEYSUOCRDNCTC-UHFFFAOYSA-N -1 1 407.536 4.168 20 0 HIADMM NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000486938794 901977302 /nfs/dbraw/zinc/97/73/02/901977302.db2.gz OPBHLCKMNZNZQX-UHFFFAOYSA-N -1 1 424.888 4.182 20 0 HIADMM Cc1cscc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000487017636 902018223 /nfs/dbraw/zinc/01/82/23/902018223.db2.gz VYLIZHCPTIFCEW-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM CC(C)S(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000487368860 902163699 /nfs/dbraw/zinc/16/36/99/902163699.db2.gz FUKQLNRANFMPDF-UHFFFAOYSA-N -1 1 422.355 4.117 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1 ZINC000505951584 914605217 /nfs/dbraw/zinc/60/52/17/914605217.db2.gz XMAZPTWYELAENS-UHFFFAOYSA-N -1 1 422.506 4.373 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488284418 902746390 /nfs/dbraw/zinc/74/63/90/902746390.db2.gz ZBSBCFSAXZKAIN-NSHDSACASA-N -1 1 420.289 4.349 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488461521 902836389 /nfs/dbraw/zinc/83/63/89/902836389.db2.gz QIVBPZWWMFGSJL-UHFFFAOYSA-N -1 1 403.769 4.210 20 0 HIADMM CCc1cccnc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000505997355 914667696 /nfs/dbraw/zinc/66/76/96/914667696.db2.gz QMLSZYKSJBORHK-UHFFFAOYSA-N -1 1 409.511 4.314 20 0 HIADMM CCCc1nc(C)c(CNc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)o1 ZINC000488786627 903000166 /nfs/dbraw/zinc/00/01/66/903000166.db2.gz USFYMARXEJVLSB-UHFFFAOYSA-N -1 1 422.457 4.022 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)o1 ZINC000488876151 903054031 /nfs/dbraw/zinc/05/40/31/903054031.db2.gz XPMYYVWPQRUTBE-QGZVFWFLSA-N -1 1 410.511 4.013 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3csc4ccc(Cl)cc43)c(F)cc2N1 ZINC000488970426 903101346 /nfs/dbraw/zinc/10/13/46/903101346.db2.gz CKFKNJXEPWSYCU-UHFFFAOYSA-N -1 1 410.879 4.379 20 0 HIADMM CSC[C@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000489328432 903332721 /nfs/dbraw/zinc/33/27/21/903332721.db2.gz NEQVATMMLCBTCD-LJQANCHMSA-N -1 1 418.584 4.072 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)c(Cl)c1 ZINC000489596343 903486493 /nfs/dbraw/zinc/48/64/93/903486493.db2.gz UWQQFKWNJVEQKL-UHFFFAOYSA-N -1 1 407.797 4.334 20 0 HIADMM CSc1cc(O)ccc1[N-]C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000490224918 903836442 /nfs/dbraw/zinc/83/64/42/903836442.db2.gz SNLVARGFFIQZFV-UHFFFAOYSA-N -1 1 412.368 4.105 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([C@@H]4C[C@H]4C)[nH]n3)cc2)c1 ZINC000490268678 903865322 /nfs/dbraw/zinc/86/53/22/903865322.db2.gz CLSSXTGABRBTNQ-CRAIPNDOSA-N -1 1 424.526 4.203 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c(=O)[n-]1 ZINC000491161759 904463580 /nfs/dbraw/zinc/46/35/80/904463580.db2.gz LYEPXQUTKJMWCA-AWEZNQCLSA-N -1 1 408.527 4.085 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(-c2cccs2)[nH]n1 ZINC000491419973 904585724 /nfs/dbraw/zinc/58/57/24/904585724.db2.gz CJZYJIGTDOPTQZ-UHFFFAOYSA-N -1 1 424.507 4.191 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c(=O)[n-]1 ZINC000492375600 904840966 /nfs/dbraw/zinc/84/09/66/904840966.db2.gz MNMSJCPTVFOQRG-CQSZACIVSA-N -1 1 411.449 4.228 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 ZINC000493236586 905060946 /nfs/dbraw/zinc/06/09/46/905060946.db2.gz KITUFGROJVJNQM-UHFFFAOYSA-N -1 1 407.495 4.220 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C(F)(F)F)cc1 ZINC000494570469 905842662 /nfs/dbraw/zinc/84/26/62/905842662.db2.gz OGWJEKZUUNDFEV-UHFFFAOYSA-N -1 1 413.446 4.414 20 0 HIADMM Cc1c(Cl)cccc1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000495262147 906347869 /nfs/dbraw/zinc/34/78/69/906347869.db2.gz NNAAKAPSOWESSQ-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000495456791 906463396 /nfs/dbraw/zinc/46/33/96/906463396.db2.gz JPQHDELEMIPEHY-LBPRGKRZSA-N -1 1 419.250 4.455 20 0 HIADMM C[C@H](C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])C(C)(F)F ZINC000497091894 906803442 /nfs/dbraw/zinc/80/34/42/906803442.db2.gz DWMJVSVJJMFYPZ-SNVBAGLBSA-N -1 1 418.849 4.076 20 0 HIADMM C/C=C/c1ccc(NC(=O)NCc2cccc(-c3nc(C(=O)OCC)n[n-]3)c2)cc1 ZINC000497371280 906859627 /nfs/dbraw/zinc/85/96/27/906859627.db2.gz PILKOJCUXBLHSJ-ZZXKWVIFSA-N -1 1 405.458 4.003 20 0 HIADMM C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000498024846 907522948 /nfs/dbraw/zinc/52/29/48/907522948.db2.gz ZHWIGFPSFHFJNJ-ZDUSSCGKSA-N -1 1 424.950 4.376 20 0 HIADMM Cc1ccc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000498201923 907734096 /nfs/dbraw/zinc/73/40/96/907734096.db2.gz PDYGWFWODCDREG-LAUBAEHRSA-N -1 1 416.543 4.330 20 0 HIADMM CCN(C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H](C)c1cccnc1 ZINC000498211223 907742433 /nfs/dbraw/zinc/74/24/33/907742433.db2.gz SENARXHTXPENQX-QGZVFWFLSA-N -1 1 424.526 4.497 20 0 HIADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000498212066 907744221 /nfs/dbraw/zinc/74/42/21/907744221.db2.gz WVKPCZROUPJSRB-MGPUTAFESA-N -1 1 420.506 4.160 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N(Cc1ccncc1)C1CC1 ZINC000498228291 907759366 /nfs/dbraw/zinc/75/93/66/907759366.db2.gz YAESZMBKNWVIIX-UHFFFAOYSA-N -1 1 422.510 4.079 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000512859097 921362009 /nfs/dbraw/zinc/36/20/09/921362009.db2.gz APPPSOQABVFOAH-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM CCCC[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000499910341 909027008 /nfs/dbraw/zinc/02/70/08/909027008.db2.gz WDQSZMWNTBRYKH-OAHLLOKOSA-N -1 1 418.515 4.023 20 0 HIADMM Cc1noc(Cl)c1CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000499966535 909407234 /nfs/dbraw/zinc/40/72/34/909407234.db2.gz BUBJNMKNWMKODO-UHFFFAOYSA-N -1 1 419.890 4.009 20 0 HIADMM CC(C)C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000500139839 909616605 /nfs/dbraw/zinc/61/66/05/909616605.db2.gz AQWYBEYXWBJXMP-IBGZPJMESA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000500364250 909813931 /nfs/dbraw/zinc/81/39/31/909813931.db2.gz MYNLBDYWBCXYCA-UHFFFAOYSA-N -1 1 412.433 4.472 20 0 HIADMM CC(C)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)[nH]n1 ZINC000500496043 909890635 /nfs/dbraw/zinc/89/06/35/909890635.db2.gz JVCZTGCLCFIPPG-UHFFFAOYSA-N -1 1 412.231 4.115 20 0 HIADMM CC(C)(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(F)cc1 ZINC000500761520 910065303 /nfs/dbraw/zinc/06/53/03/910065303.db2.gz IKGUCPKYLMCVNM-INIZCTEOSA-N -1 1 424.538 4.403 20 0 HIADMM Cc1ccn2ncc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)c2c1 ZINC000501020273 910239305 /nfs/dbraw/zinc/23/93/05/910239305.db2.gz BMFJPQRHVYDTPV-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@H](C)C3)cc2)c1C ZINC000501641113 910733086 /nfs/dbraw/zinc/73/30/86/910733086.db2.gz AOUOBPBQPPQFIX-DOTOQJQBSA-N -1 1 400.544 4.222 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](C)[C@@H](C)C3)cc2)cc1 ZINC000501646727 910734232 /nfs/dbraw/zinc/73/42/32/910734232.db2.gz QRGTXQMRSILCNL-SJORKVTESA-N -1 1 416.543 4.004 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)c(Cl)c2)c1 ZINC000501857040 910887605 /nfs/dbraw/zinc/88/76/05/910887605.db2.gz KXDQWDHTMFBKPU-UHFFFAOYSA-N -1 1 408.936 4.037 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(F)cc2cccnc21 ZINC000502206311 911153093 /nfs/dbraw/zinc/15/30/93/911153093.db2.gz GASNEVPZPYFKDV-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000502399701 911384178 /nfs/dbraw/zinc/38/41/78/911384178.db2.gz PMDSXOIPXDUTMV-UHFFFAOYSA-N -1 1 422.261 4.119 20 0 HIADMM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1)c1c(Cl)cc(F)cc1Br ZINC000502428027 911408677 /nfs/dbraw/zinc/40/86/77/911408677.db2.gz RMFUYVUKKPSJQS-RISCZKNCSA-N -1 1 404.688 4.076 20 0 HIADMM CCOC(=O)c1c(C)oc2ncnc([N-]c3nc(CC(=O)c4ccccc4)cs3)c21 ZINC000502740599 911765385 /nfs/dbraw/zinc/76/53/85/911765385.db2.gz MSRJTCRAZLSODD-UHFFFAOYSA-N -1 1 422.466 4.333 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1nc2ccc(Cl)cc2o1)c1nc(C)cs1 ZINC000502866092 911872489 /nfs/dbraw/zinc/87/24/89/911872489.db2.gz MADNNYKBKXJLSM-CQSZACIVSA-N -1 1 410.904 4.254 20 0 HIADMM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000502927928 911913482 /nfs/dbraw/zinc/91/34/82/911913482.db2.gz FTISAFINLGUCLW-LPHOPBHVSA-N -1 1 402.516 4.021 20 0 HIADMM CCC[C@H]1C[C@@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000502933083 911919958 /nfs/dbraw/zinc/91/99/58/911919958.db2.gz ZJRQSADNBCXLTK-LPHOPBHVSA-N -1 1 402.516 4.021 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1Br ZINC000513370021 921743784 /nfs/dbraw/zinc/74/37/84/921743784.db2.gz GQSWEVSVYLFYOW-UHFFFAOYSA-N -1 1 422.247 4.168 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1 ZINC000506553432 915197966 /nfs/dbraw/zinc/19/79/66/915197966.db2.gz ZXZKRWWCVQIULG-UHFFFAOYSA-N -1 1 409.507 4.184 20 0 HIADMM Cc1noc(COc2ccc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)cc2)n1 ZINC000506661853 915337720 /nfs/dbraw/zinc/33/77/20/915337720.db2.gz PHCBFOGOKHRZRB-UHFFFAOYSA-N -1 1 421.478 4.425 20 0 HIADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000506707084 915382492 /nfs/dbraw/zinc/38/24/92/915382492.db2.gz VFQNLVVTOAAMHP-CHWSQXEVSA-N -1 1 410.923 4.467 20 0 HIADMM CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 ZINC000507155043 915895036 /nfs/dbraw/zinc/89/50/36/915895036.db2.gz GIZMFPDXADMKAR-UHFFFAOYSA-N -1 1 402.560 4.494 20 0 HIADMM COCCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000507615782 916373702 /nfs/dbraw/zinc/37/37/02/916373702.db2.gz IGLFECMHLHLYKO-UHFFFAOYSA-N -1 1 420.314 4.218 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(COc3ccc(F)cc3)c2)c1 ZINC000507634919 916393363 /nfs/dbraw/zinc/39/33/63/916393363.db2.gz KARDSUACKXMTDK-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)c(Cl)c2)cc1 ZINC000507642527 916399506 /nfs/dbraw/zinc/39/95/06/916399506.db2.gz CVTMHJIBHWZMFA-UHFFFAOYSA-N -1 1 408.676 4.189 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)c1 ZINC000507886209 916733614 /nfs/dbraw/zinc/73/36/14/916733614.db2.gz GFGPHRNDQYVPCZ-UHFFFAOYSA-N -1 1 421.490 4.054 20 0 HIADMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000507922402 916801050 /nfs/dbraw/zinc/80/10/50/916801050.db2.gz TVINIHXOITXFNM-UHFFFAOYSA-N -1 1 416.503 4.150 20 0 HIADMM CC(C)Oc1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)ccc1C(N)=O ZINC000507972533 916823454 /nfs/dbraw/zinc/82/34/54/916823454.db2.gz WTWWQUJATCQUKG-UHFFFAOYSA-N -1 1 410.495 4.041 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc(Cl)c1[O-] ZINC000508028085 916861556 /nfs/dbraw/zinc/86/15/56/916861556.db2.gz RZOIIPNSKBGYQY-LJQANCHMSA-N -1 1 405.878 4.343 20 0 HIADMM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(N4CCCCCC4)cc3C)cc12 ZINC000508068756 916890473 /nfs/dbraw/zinc/89/04/73/916890473.db2.gz OLWZUJUUPXQDIG-UHFFFAOYSA-N -1 1 414.531 4.275 20 0 HIADMM COc1ccc([C@H](NC(=O)c2ccc(Br)c([O-])c2)C(F)(F)F)cc1 ZINC000508082510 916900612 /nfs/dbraw/zinc/90/06/12/916900612.db2.gz SQZDNAUJZXFOQY-AWEZNQCLSA-N -1 1 404.182 4.197 20 0 HIADMM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000508217766 917035452 /nfs/dbraw/zinc/03/54/52/917035452.db2.gz UMMAUDWIMFDOIF-UHFFFAOYSA-N -1 1 423.428 4.414 20 0 HIADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000508219624 917037395 /nfs/dbraw/zinc/03/73/95/917037395.db2.gz CHQDIPGDZZNTMZ-JOCHJYFZSA-N -1 1 406.507 4.213 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)COC4)cc2)cc1C ZINC000508422932 917211820 /nfs/dbraw/zinc/21/18/20/917211820.db2.gz BKNYYSZZCKLYRR-UHFFFAOYSA-N -1 1 422.506 4.387 20 0 HIADMM O=C(Cc1ccc(O)cc1Cl)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000508769031 917524406 /nfs/dbraw/zinc/52/44/06/917524406.db2.gz MTFCBFGVNKLQBN-UHFFFAOYSA-N -1 1 416.886 4.028 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)c3ccncc3)c2)c1 ZINC000509059271 917807624 /nfs/dbraw/zinc/80/76/24/917807624.db2.gz ABWADWIPYJQTEB-UHFFFAOYSA-N -1 1 413.524 4.165 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)ccc1Cl ZINC000509071424 917816451 /nfs/dbraw/zinc/81/64/51/917816451.db2.gz YIYWKACTPCLTMP-UHFFFAOYSA-N -1 1 406.813 4.426 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C4CC4)n3)cc2)c1 ZINC000509074823 917820068 /nfs/dbraw/zinc/82/00/68/917820068.db2.gz NMTOXZUXTVDBPW-UHFFFAOYSA-N -1 1 417.512 4.049 20 0 HIADMM Cc1c(=O)[n-]c(SC[C@@H]2CCN(C(=O)c3ccccc3)C2)nc1-c1ccccc1 ZINC000509088359 917830943 /nfs/dbraw/zinc/83/09/43/917830943.db2.gz BPKYDUBSPMNQAZ-QGZVFWFLSA-N -1 1 405.523 4.412 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000509104561 917843939 /nfs/dbraw/zinc/84/39/39/917843939.db2.gz XBLTVSWPLBPXOI-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1 ZINC000509104970 917844919 /nfs/dbraw/zinc/84/49/19/917844919.db2.gz ZMEJEYLJTYTZKT-UHFFFAOYSA-N -1 1 406.573 4.472 20 0 HIADMM COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000509177256 917889174 /nfs/dbraw/zinc/88/91/74/917889174.db2.gz GVRAWLCXJCEDJC-UHFFFAOYSA-N -1 1 423.296 4.199 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)N(C)CC(C)(C)C ZINC000509360627 918026397 /nfs/dbraw/zinc/02/63/97/918026397.db2.gz MFWKZVUNCQAOGK-UHFFFAOYSA-N -1 1 403.548 4.017 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1C ZINC000509382621 918048112 /nfs/dbraw/zinc/04/81/12/918048112.db2.gz DCKPTYCGZSLFRY-UHFFFAOYSA-N -1 1 415.437 4.264 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)c1C ZINC000509387488 918053755 /nfs/dbraw/zinc/05/37/55/918053755.db2.gz VTNZRASPLUEEBQ-UHFFFAOYSA-N -1 1 414.458 4.092 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)cc1 ZINC000509389060 918054035 /nfs/dbraw/zinc/05/40/35/918054035.db2.gz BZSDAQZICCEHAZ-UHFFFAOYSA-N -1 1 400.475 4.186 20 0 HIADMM CCc1ccc(CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C2CC2)cc1 ZINC000509457949 918109301 /nfs/dbraw/zinc/10/93/01/918109301.db2.gz PHGYSLIECDZTKJ-UHFFFAOYSA-N -1 1 416.525 4.239 20 0 HIADMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)cc21 ZINC000509581407 918229841 /nfs/dbraw/zinc/22/98/41/918229841.db2.gz BXZRSLZBKBLMDZ-UHFFFAOYSA-N -1 1 413.421 4.359 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)[C@@H]1C ZINC000509588248 918236489 /nfs/dbraw/zinc/23/64/89/918236489.db2.gz VFBPWNBJZPMRGL-VXGBXAGGSA-N -1 1 413.326 4.275 20 0 HIADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccccc3)c(Cl)c2)cc1 ZINC000509591350 918240428 /nfs/dbraw/zinc/24/04/28/918240428.db2.gz PUWVSMZUMAWLAT-UHFFFAOYSA-N -1 1 418.927 4.391 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000509714727 918342143 /nfs/dbraw/zinc/34/21/43/918342143.db2.gz NALFZWXOICCYDA-GMGKOPGTSA-N -1 1 414.509 4.190 20 0 HIADMM CCCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H]1CCc2ccccc21 ZINC000509921738 918521723 /nfs/dbraw/zinc/52/17/23/918521723.db2.gz BAOXGYWYTSJXPV-QFIPXVFZSA-N -1 1 416.525 4.411 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000509938722 918536165 /nfs/dbraw/zinc/53/61/65/918536165.db2.gz AABNVUPCVOQXKT-UNMCSNQZSA-N -1 1 420.534 4.329 20 0 HIADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000509995241 918582310 /nfs/dbraw/zinc/58/23/10/918582310.db2.gz GLCBIYUDBSIUHU-UGKGYDQZSA-N -1 1 406.507 4.021 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3OC)nc2)cc1 ZINC000510152297 918706937 /nfs/dbraw/zinc/70/69/37/918706937.db2.gz UYHWNTNGOBBLHM-UHFFFAOYSA-N -1 1 414.483 4.390 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1cccc(C(F)(F)F)c1 ZINC000511134704 919750805 /nfs/dbraw/zinc/75/08/05/919750805.db2.gz KVHDDRPHPRSBAT-UHFFFAOYSA-N -1 1 408.401 4.480 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CC3)ccc2C)c2ccccc12 ZINC000511277910 919874405 /nfs/dbraw/zinc/87/44/05/919874405.db2.gz CKIZTKCSQZMIKF-UHFFFAOYSA-N -1 1 424.522 4.240 20 0 HIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(Br)cc2C)c1 ZINC000511281796 919877349 /nfs/dbraw/zinc/87/73/49/919877349.db2.gz WEZSYBMMOUSZOC-UHFFFAOYSA-N -1 1 411.321 4.134 20 0 HIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1coc(C2CCOCC2)n1 ZINC000511395252 920005747 /nfs/dbraw/zinc/00/57/47/920005747.db2.gz CRCDFQVULFWPJQ-MRXNPFEDSA-N -1 1 410.499 4.141 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000511512799 920131820 /nfs/dbraw/zinc/13/18/20/920131820.db2.gz HZUJAFKIFNEPMJ-UHFFFAOYSA-N -1 1 411.465 4.065 20 0 HIADMM Cc1cc(Sc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000511679520 920344654 /nfs/dbraw/zinc/34/46/54/920344654.db2.gz FUYCKUJXTMTTSD-UHFFFAOYSA-N -1 1 424.547 4.466 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc2c(c1)CCO2 ZINC000511721221 920386864 /nfs/dbraw/zinc/38/68/64/920386864.db2.gz GBRNWWBGUHJXGT-UHFFFAOYSA-N -1 1 402.859 4.263 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000511724336 920391210 /nfs/dbraw/zinc/39/12/10/920391210.db2.gz WBKIFYUXTJHLPN-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000511742218 920418467 /nfs/dbraw/zinc/41/84/67/920418467.db2.gz LQNBOVYEAUTIEI-UHFFFAOYSA-N -1 1 405.502 4.234 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000511766519 920451885 /nfs/dbraw/zinc/45/18/85/920451885.db2.gz CWRMHJGESQGLFT-UHFFFAOYSA-N -1 1 422.529 4.472 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3coc4ccccc34)c2)c1 ZINC000511805797 920501652 /nfs/dbraw/zinc/50/16/52/920501652.db2.gz HDKKXDMREUEVIR-UHFFFAOYSA-N -1 1 420.490 4.472 20 0 HIADMM Cc1ccc(NC(=O)[C@@]2(C)CCCOC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000511826602 920525231 /nfs/dbraw/zinc/52/52/31/920525231.db2.gz QXWPQZGEAHUQJH-FQEVSTJZSA-N -1 1 422.934 4.204 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cn3cccnc3n2)cc1)c1ccc2c(c1)CCCC2 ZINC000511888180 920624228 /nfs/dbraw/zinc/62/42/28/920624228.db2.gz XZHOROPAHRKHLY-UHFFFAOYSA-N -1 1 404.495 4.076 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccccc1SCc1cccs1 ZINC000511904576 920643214 /nfs/dbraw/zinc/64/32/14/920643214.db2.gz GENDIOYWSGSNLR-UHFFFAOYSA-N -1 1 424.551 4.336 20 0 HIADMM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000512031046 920803602 /nfs/dbraw/zinc/80/36/02/920803602.db2.gz LRNYDQFHJVDTFL-PZJWPPBQSA-N -1 1 406.530 4.169 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)[C@H](C)CC)c2)cc1 ZINC000512146303 920888762 /nfs/dbraw/zinc/88/87/62/920888762.db2.gz OWWDJOOCIUPPOS-HZPDHXFCSA-N -1 1 404.532 4.051 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)[C@H](C)CC)cc2)cc1 ZINC000512149431 920890746 /nfs/dbraw/zinc/89/07/46/920890746.db2.gz RMRMLTMLSVGTPP-HZPDHXFCSA-N -1 1 404.532 4.051 20 0 HIADMM CCC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCN(C(=O)c2ccccc2)CC1 ZINC000512346410 921091329 /nfs/dbraw/zinc/09/13/29/921091329.db2.gz JPOYXZQMPUYZGQ-UHFFFAOYSA-N -1 1 418.497 4.053 20 0 HIADMM CC(=O)NCCN(Cc1ccc(Br)s1)Cc1cccc([O-])c1Cl ZINC000513526201 921869402 /nfs/dbraw/zinc/86/94/02/921869402.db2.gz SSTLHQCRGWLZNI-UHFFFAOYSA-N -1 1 417.756 4.008 20 0 HIADMM CO[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccccc1 ZINC000513578167 921909924 /nfs/dbraw/zinc/90/99/24/921909924.db2.gz ZIDCRVZUOKPXGZ-QFIPXVFZSA-N -1 1 424.522 4.430 20 0 HIADMM CC(C)(CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)Oc1ccccc1 ZINC000513603105 921935133 /nfs/dbraw/zinc/93/51/33/921935133.db2.gz MJSGDBTXTXSWFA-UHFFFAOYSA-N -1 1 424.522 4.075 20 0 HIADMM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513731418 922052154 /nfs/dbraw/zinc/05/21/54/922052154.db2.gz VWDRRUYUDDSXOF-YLJYHZDGSA-N -1 1 416.543 4.330 20 0 HIADMM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000513804878 922128240 /nfs/dbraw/zinc/12/82/40/922128240.db2.gz HVMILYUBKJKCID-AWEZNQCLSA-N -1 1 413.499 4.225 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(F)(F)F)cc2)c1C ZINC000514647935 922743709 /nfs/dbraw/zinc/74/37/09/922743709.db2.gz NOPSENFVDDEJJV-UHFFFAOYSA-N -1 1 414.449 4.013 20 0 HIADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000514649449 922744071 /nfs/dbraw/zinc/74/40/71/922744071.db2.gz BELYHBADXRFSOU-UHFFFAOYSA-N -1 1 418.400 4.445 20 0 HIADMM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1Br ZINC000514928245 922846264 /nfs/dbraw/zinc/84/62/64/922846264.db2.gz WEOFFRBBDWMXQN-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3C)ccc21 ZINC000515016958 922879113 /nfs/dbraw/zinc/87/91/13/922879113.db2.gz RCXADGBDUCDPPN-UHFFFAOYSA-N -1 1 406.507 4.372 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000515695764 923278751 /nfs/dbraw/zinc/27/87/51/923278751.db2.gz UVSSIDJPKJJSTB-OAHLLOKOSA-N -1 1 406.935 4.464 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)c2ccccc12 ZINC000515704255 923288018 /nfs/dbraw/zinc/28/80/18/923288018.db2.gz SBHPPYVGSMSQMN-UHFFFAOYSA-N -1 1 405.479 4.496 20 0 HIADMM CC(C)N(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000515818670 923371489 /nfs/dbraw/zinc/37/14/89/923371489.db2.gz SUVZIOKZRSLIGY-UHFFFAOYSA-N -1 1 406.935 4.401 20 0 HIADMM CC(C)N(CC1CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000515818233 923372099 /nfs/dbraw/zinc/37/20/99/923372099.db2.gz CTUWDSAELYHYSN-UHFFFAOYSA-N -1 1 406.935 4.401 20 0 HIADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1 ZINC000515966871 923466399 /nfs/dbraw/zinc/46/63/99/923466399.db2.gz GTXYVSPJZYIKJZ-QRWLVFNGSA-N -1 1 410.495 4.134 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccccn3)cc2)cc1 ZINC000516202251 923596650 /nfs/dbraw/zinc/59/66/50/923596650.db2.gz PFWBKXBNLXEKBO-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000517491318 924227899 /nfs/dbraw/zinc/22/78/99/924227899.db2.gz GWYDPVKIGOEEBD-UHFFFAOYSA-N -1 1 421.501 4.353 20 0 HIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1Br ZINC000517549027 924259997 /nfs/dbraw/zinc/25/99/97/924259997.db2.gz PPRCPDZQEZVQRV-UHFFFAOYSA-N -1 1 406.733 4.298 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@H](C)C2)ccc1OC(C)C ZINC000517611691 926718845 /nfs/dbraw/zinc/71/88/45/926718845.db2.gz SRDVDQOSLQLUHK-QZTJIDSGSA-N -1 1 418.559 4.197 20 0 HIADMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000517612445 926721251 /nfs/dbraw/zinc/72/12/51/926721251.db2.gz IYRPBQNKCKKUDX-UHFFFAOYSA-N -1 1 422.869 4.440 20 0 HIADMM C[C@@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc2c(c1)CCCC2 ZINC000517622802 926731044 /nfs/dbraw/zinc/73/10/44/926731044.db2.gz MJEYOONRGYQRNX-LLVKDONJSA-N -1 1 411.449 4.049 20 0 HIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)n1 ZINC000517721759 926813391 /nfs/dbraw/zinc/81/33/91/926813391.db2.gz MIMQMJTXBDFBNL-UHFFFAOYSA-N -1 1 411.405 4.189 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Sc2nccn2C)cc1 ZINC000518197898 927077391 /nfs/dbraw/zinc/07/73/91/927077391.db2.gz IKZXEOYIHRXBSY-UHFFFAOYSA-N -1 1 409.920 4.034 20 0 HIADMM Cc1csc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n1 ZINC000518320720 927184835 /nfs/dbraw/zinc/18/48/35/927184835.db2.gz XJLIIZBNQYXBQO-UHFFFAOYSA-N -1 1 415.540 4.146 20 0 HIADMM Cc1csc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n1 ZINC000518320180 927184895 /nfs/dbraw/zinc/18/48/95/927184895.db2.gz KKGSIYVTYRRDDB-UHFFFAOYSA-N -1 1 415.540 4.146 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(Cc4ccccc4)no3)cc2)cc1 ZINC000518323341 927187733 /nfs/dbraw/zinc/18/77/33/927187733.db2.gz NTWWRUCBHKPYCC-UHFFFAOYSA-N -1 1 421.478 4.137 20 0 HIADMM Cc1ccc(NC(=O)[C@@H](C)OCC(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000518337678 927202498 /nfs/dbraw/zinc/20/24/98/927202498.db2.gz HGTAAXDRNLUFQG-OAHLLOKOSA-N -1 1 424.950 4.449 20 0 HIADMM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000518432581 927267649 /nfs/dbraw/zinc/26/76/49/927267649.db2.gz VCRKTDJAYDPYDM-OYHNWAKOSA-N -1 1 424.497 4.290 20 0 HIADMM O=C(NC[C@H]1CCc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000518438157 927271675 /nfs/dbraw/zinc/27/16/75/927271675.db2.gz MSRCBBXRJQIZTP-GOSISDBHSA-N -1 1 424.497 4.086 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C(C)C)[nH]n3)cc2)cc1C ZINC000518674399 927422543 /nfs/dbraw/zinc/42/25/43/927422543.db2.gz BQTKUIDAUMZJQQ-UHFFFAOYSA-N -1 1 412.515 4.203 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(CC(C)(C)C)nc3c2)c1 ZINC000518740069 927467879 /nfs/dbraw/zinc/46/78/79/927467879.db2.gz GHDNJQQMWCSZSV-UHFFFAOYSA-N -1 1 402.472 4.004 20 0 HIADMM O=S(=O)(Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1)c1ccccc1 ZINC000518917451 927626216 /nfs/dbraw/zinc/62/62/16/927626216.db2.gz YMQCDROKDRPYAK-UHFFFAOYSA-N -1 1 421.927 4.115 20 0 HIADMM O=S(=O)(Cc1c(Cl)cccc1Cl)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000518995395 927681216 /nfs/dbraw/zinc/68/12/16/927681216.db2.gz PVGNEWYDJPEBLQ-UHFFFAOYSA-N -1 1 402.690 4.406 20 0 HIADMM O=S(=O)(Cc1c(Cl)cccc1Cl)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000518995395 927681222 /nfs/dbraw/zinc/68/12/22/927681222.db2.gz PVGNEWYDJPEBLQ-UHFFFAOYSA-N -1 1 402.690 4.406 20 0 HIADMM Cc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000519161700 927807131 /nfs/dbraw/zinc/80/71/31/927807131.db2.gz YSBDISOUWHTIOP-XZOQPEGZSA-N -1 1 414.505 4.262 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)cc1 ZINC000519220289 927832968 /nfs/dbraw/zinc/83/29/68/927832968.db2.gz BEGSSIGVRVWULW-OPAMFIHVSA-N -1 1 422.506 4.048 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)cc1 ZINC000519220290 927833016 /nfs/dbraw/zinc/83/30/16/927833016.db2.gz BEGSSIGVRVWULW-ZHRRBRCNSA-N -1 1 422.506 4.048 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4nc(N5CCCC5)sc4c3)ccc2O1 ZINC000519267549 927856384 /nfs/dbraw/zinc/85/63/84/927856384.db2.gz FWZZOHZGUWDBBY-ZDUSSCGKSA-N -1 1 415.540 4.021 20 0 HIADMM CC(C)(c1nnc([N-]C(=O)c2csc(-c3cnccn3)n2)s1)c1ccccc1 ZINC000519327761 927882537 /nfs/dbraw/zinc/88/25/37/927882537.db2.gz MOXPVTQFSUUCKA-UHFFFAOYSA-N -1 1 408.512 4.030 20 0 HIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)c2)o1 ZINC000519516422 928006374 /nfs/dbraw/zinc/00/63/74/928006374.db2.gz IVOSFBTUZOZXMR-UHFFFAOYSA-N -1 1 412.389 4.392 20 0 HIADMM O=C(CCSCc1ccccn1)Nc1c([O-])cc(Br)cc1Cl ZINC000519590921 928025279 /nfs/dbraw/zinc/02/52/79/928025279.db2.gz DWTLEXYADOTGLT-UHFFFAOYSA-N -1 1 401.713 4.465 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N([C@H](C)C(C)C)C3CC3)cc2)cc1 ZINC000519901006 928134661 /nfs/dbraw/zinc/13/46/61/928134661.db2.gz BSLKBUXBTBPIFT-MRXNPFEDSA-N -1 1 416.543 4.145 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c4c[nH]nc43)c2)cc1 ZINC000519899429 928134838 /nfs/dbraw/zinc/13/48/38/928134838.db2.gz DCNUOLARMOJLJC-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3ccccn3)ccc2C)c1 ZINC000520088182 928302798 /nfs/dbraw/zinc/30/27/98/928302798.db2.gz CJLOHQVIVNXPTG-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4nc[nH]c4c3)cc2)cc1C ZINC000520108071 928315612 /nfs/dbraw/zinc/31/56/12/928315612.db2.gz PEEBLMXMVOZDJN-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]cnc4c3)cc2)cc1C ZINC000520108071 928315627 /nfs/dbraw/zinc/31/56/27/928315627.db2.gz PEEBLMXMVOZDJN-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cc[nH]c1 ZINC000520256953 928421052 /nfs/dbraw/zinc/42/10/52/928421052.db2.gz MTUUVHLSEQHTSO-UHFFFAOYSA-N -1 1 409.389 4.087 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1 ZINC000520360436 928519447 /nfs/dbraw/zinc/51/94/47/928519447.db2.gz QAYLCRKGNIARSY-UHFFFAOYSA-N -1 1 417.531 4.129 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccccc3OC)c2)c1 ZINC000520360109 928519830 /nfs/dbraw/zinc/51/98/30/928519830.db2.gz AGBXHRJMPFSXNH-UHFFFAOYSA-N -1 1 411.479 4.258 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)Nc4ccccc4)c3)ccc2O1 ZINC000520680270 928726662 /nfs/dbraw/zinc/72/66/62/928726662.db2.gz FVESVOFBLPEABX-OAHLLOKOSA-N -1 1 423.494 4.455 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000521081705 928979005 /nfs/dbraw/zinc/97/90/05/928979005.db2.gz MIDBQBVOFCSCOZ-UHFFFAOYSA-N -1 1 418.497 4.445 20 0 HIADMM CCCN(C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H](CC)c1ccccc1 ZINC000521146130 929024468 /nfs/dbraw/zinc/02/44/68/929024468.db2.gz KGSSGWPZOGOISS-NRFANRHFSA-N -1 1 404.514 4.073 20 0 HIADMM O=C(Nc1cccc(F)c1F)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000521479382 929242693 /nfs/dbraw/zinc/24/26/93/929242693.db2.gz ZWMHFROLKYUZCZ-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 ZINC000521673839 929359613 /nfs/dbraw/zinc/35/96/13/929359613.db2.gz ZLPPDKKUFHOAHC-ZDUSSCGKSA-N -1 1 419.430 4.037 20 0 HIADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1 ZINC000521761832 929423720 /nfs/dbraw/zinc/42/37/20/929423720.db2.gz ZLDQMWCCKSCDRZ-UHFFFAOYSA-N -1 1 402.859 4.032 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)[C@H]3C)cc2)c1 ZINC000524654608 929767632 /nfs/dbraw/zinc/76/76/32/929767632.db2.gz ACSCGHAGEFQFBB-FUHWJXTLSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](C)[C@@H]3C)c2)c1 ZINC000524655149 929768433 /nfs/dbraw/zinc/76/84/33/929768433.db2.gz XXRYQDFRTJXYNY-WMZOPIPTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000524695496 929802583 /nfs/dbraw/zinc/80/25/83/929802583.db2.gz LYFMFINNNUTDSD-UHFFFAOYSA-N -1 1 411.465 4.186 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cccc(F)c4)nc3c2)cc1 ZINC000524697884 929803123 /nfs/dbraw/zinc/80/31/23/929803123.db2.gz RYKLLUKVZDMTTC-UHFFFAOYSA-N -1 1 409.442 4.372 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(CSC4CCCC4)c3)cc2[nH]1 ZINC000524855625 929859935 /nfs/dbraw/zinc/85/99/35/929859935.db2.gz QJYCBJPPBGMMFQ-UHFFFAOYSA-N -1 1 403.529 4.245 20 0 HIADMM CC1(C)CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC000525087855 930027248 /nfs/dbraw/zinc/02/72/48/930027248.db2.gz HYIILXBSXXYQSV-UHFFFAOYSA-N -1 1 404.507 4.279 20 0 HIADMM CCC(CC)(CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000525099896 930034832 /nfs/dbraw/zinc/03/48/32/930034832.db2.gz UZGCTRSKWRNAMX-UHFFFAOYSA-N -1 1 404.532 4.195 20 0 HIADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000525102444 930036696 /nfs/dbraw/zinc/03/66/96/930036696.db2.gz PKEZHRNFHXHIMI-JKSUJKDBSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000525202180 930085223 /nfs/dbraw/zinc/08/52/23/930085223.db2.gz APXPGMIBWIEAGH-UHFFFAOYSA-N -1 1 410.477 4.425 20 0 HIADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CSC3CCCC3)c2)cc1 ZINC000525371712 930201979 /nfs/dbraw/zinc/20/19/79/930201979.db2.gz NCJOWUXFHQLEFB-UHFFFAOYSA-N -1 1 404.557 4.023 20 0 HIADMM CCc1ccc([C@@H](NC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)C(C)C)cc1 ZINC000525411865 930224766 /nfs/dbraw/zinc/22/47/66/930224766.db2.gz YORXQQGDBCRPPE-FQEVSTJZSA-N -1 1 419.547 4.148 20 0 HIADMM CC(C)c1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cs1 ZINC000525584050 930346052 /nfs/dbraw/zinc/34/60/52/930346052.db2.gz JBRVZQMFENFTJA-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C)c1ccncc1 ZINC000525585884 930347146 /nfs/dbraw/zinc/34/71/46/930347146.db2.gz VIBXGOIGLDSENC-JOCHJYFZSA-N -1 1 423.538 4.380 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)cc1 ZINC000525618547 930365559 /nfs/dbraw/zinc/36/55/59/930365559.db2.gz WONYUBHXWRAICZ-AEFFLSMTSA-N -1 1 400.544 4.447 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3C)cc2)cc1 ZINC000525620280 930366673 /nfs/dbraw/zinc/36/66/73/930366673.db2.gz KNGNZKUOFOERSI-SJORKVTESA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](C)[C@@H]3C)c2)cc1 ZINC000525621550 930367840 /nfs/dbraw/zinc/36/78/40/930367840.db2.gz WLNAAUSKHQBIDN-IRXDYDNUSA-N -1 1 416.543 4.147 20 0 HIADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000525723030 930415185 /nfs/dbraw/zinc/41/51/85/930415185.db2.gz FNEQBNAJISLXQS-IBGZPJMESA-N -1 1 422.497 4.416 20 0 HIADMM COc1ccc2c(c1)oc(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c2-c1ccccc1 ZINC000525748747 930427781 /nfs/dbraw/zinc/42/77/81/930427781.db2.gz FQZGPYJNIQEFRL-UHFFFAOYSA-N -1 1 402.332 4.498 20 0 HIADMM C[C@@H]1C[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000525940468 930490184 /nfs/dbraw/zinc/49/01/84/930490184.db2.gz UTRMUCORAZOJBS-CHWSQXEVSA-N -1 1 412.433 4.129 20 0 HIADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000526933218 930552144 /nfs/dbraw/zinc/55/21/44/930552144.db2.gz VARHCUNENWYCLK-BETUJISGSA-N -1 1 412.433 4.129 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1C(N)=O ZINC000527031144 930571558 /nfs/dbraw/zinc/57/15/58/930571558.db2.gz WMMZVXNOEXBHJA-UHFFFAOYSA-N -1 1 424.478 4.273 20 0 HIADMM C[C@H]1C[C@H](C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000527180018 930607893 /nfs/dbraw/zinc/60/78/93/930607893.db2.gz PVERSPVALBCNKL-RYUDHWBXSA-N -1 1 413.326 4.417 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1cc(F)ccc1F ZINC000530756841 930817415 /nfs/dbraw/zinc/81/74/15/930817415.db2.gz PYNXGWVTXJACHA-UHFFFAOYSA-N -1 1 402.466 4.398 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000531531843 931094619 /nfs/dbraw/zinc/09/46/19/931094619.db2.gz GHMSVFITUANEEU-UHFFFAOYSA-N -1 1 401.532 4.020 20 0 HIADMM Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000531611854 931126768 /nfs/dbraw/zinc/12/67/68/931126768.db2.gz XRCLAUUAOYLFHC-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)c2cccnc12 ZINC000532016550 931286372 /nfs/dbraw/zinc/28/63/72/931286372.db2.gz AEDIKJVRSFSCSC-UHFFFAOYSA-N -1 1 421.478 4.018 20 0 HIADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000532184999 931339045 /nfs/dbraw/zinc/33/90/45/931339045.db2.gz JPVNSUSJTZEPND-SNVBAGLBSA-N -1 1 404.289 4.164 20 0 HIADMM Cc1cc(COc2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2Br)no1 ZINC000532267219 931376659 /nfs/dbraw/zinc/37/66/59/931376659.db2.gz RYHPHQWCYVAUON-UHFFFAOYSA-N -1 1 421.222 4.422 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)c(C)n1 ZINC000532285513 931384124 /nfs/dbraw/zinc/38/41/24/931384124.db2.gz OHQRCZULAKFOSA-UHFFFAOYSA-N -1 1 413.474 4.199 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)c1 ZINC000532989691 931729168 /nfs/dbraw/zinc/72/91/68/931729168.db2.gz OXDLUBVFTCBWOZ-UHFFFAOYSA-N -1 1 424.526 4.065 20 0 HIADMM O=S(=O)([N-]c1cc(-c2ccncc2)n[nH]1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000533176744 931802709 /nfs/dbraw/zinc/80/27/09/931802709.db2.gz VWPBUTBDVNKCPD-UHFFFAOYSA-N -1 1 417.903 4.049 20 0 HIADMM NC(=O)c1cccc(Oc2ccc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)cc2)c1 ZINC000533689994 931970974 /nfs/dbraw/zinc/97/09/74/931970974.db2.gz NZTNOZJMDHUBEX-UHFFFAOYSA-N -1 1 420.849 4.171 20 0 HIADMM COc1ccc(C[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000533887108 932081836 /nfs/dbraw/zinc/08/18/36/932081836.db2.gz AOKWSMQIDYENPO-KRWDZBQOSA-N -1 1 424.522 4.313 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cnc2ccc(F)cc2c1 ZINC000533925007 932103178 /nfs/dbraw/zinc/10/31/78/932103178.db2.gz KFUAOKZORYCFRQ-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c1 ZINC000534366848 932397806 /nfs/dbraw/zinc/39/78/06/932397806.db2.gz NYRKAKZLRKJOFK-UHFFFAOYSA-N -1 1 403.438 4.164 20 0 HIADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c(Cl)c1 ZINC000534943141 932849360 /nfs/dbraw/zinc/84/93/60/932849360.db2.gz NGQGAGJQFRMJHX-UHFFFAOYSA-N -1 1 409.294 4.307 20 0 HIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c(F)cc2N1 ZINC000534943619 932850332 /nfs/dbraw/zinc/85/03/32/932850332.db2.gz KFBFMWIFPQZMRX-UHFFFAOYSA-N -1 1 422.787 4.183 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(O)c3F)cc2)cc1C ZINC000534944954 932851246 /nfs/dbraw/zinc/85/12/46/932851246.db2.gz OJAYWXMWLOBGAP-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CCc1noc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000535165881 932983788 /nfs/dbraw/zinc/98/37/88/932983788.db2.gz KGMBWKTWASEUPQ-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc([C@@H]2CCOC2)c1 ZINC000535590003 933257966 /nfs/dbraw/zinc/25/79/66/933257966.db2.gz XEBZEIXOYLAORX-LJQANCHMSA-N -1 1 422.506 4.244 20 0 HIADMM COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1F ZINC000535616873 933270740 /nfs/dbraw/zinc/27/07/40/933270740.db2.gz JGYWEZBRFIRGEV-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3Cl)c(F)cc2N1 ZINC000535655355 933298069 /nfs/dbraw/zinc/29/80/69/933298069.db2.gz MTBWPPFQCIJUCZ-UHFFFAOYSA-N -1 1 422.787 4.183 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2)cc1 ZINC000537395477 933755699 /nfs/dbraw/zinc/75/56/99/933755699.db2.gz VTCHYYPSPPHADE-UHFFFAOYSA-N -1 1 413.474 4.353 20 0 HIADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c2ccc(Cl)cc2)no1 ZINC000537745164 938367816 /nfs/dbraw/zinc/36/78/16/938367816.db2.gz MCBYCTABZVNCKK-INIZCTEOSA-N -1 1 412.298 4.061 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3O)cc2)ccc1F ZINC000537850000 938389980 /nfs/dbraw/zinc/38/99/80/938389980.db2.gz IBUMXSIHJGHBDN-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000537870956 938395405 /nfs/dbraw/zinc/39/54/05/938395405.db2.gz QWGHYLZXOQTFOP-YMTOWFKASA-N -1 1 410.344 4.118 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000538049878 938483143 /nfs/dbraw/zinc/48/31/43/938483143.db2.gz XDVGVBMKWNWBPG-UHFFFAOYSA-N -1 1 404.507 4.500 20 0 HIADMM C[C@@H]1CC[C@H](C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])C1 ZINC000538460253 938627278 /nfs/dbraw/zinc/62/72/78/938627278.db2.gz YIUVCVPKTBJDSA-OLZOCXBDSA-N -1 1 408.907 4.221 20 0 HIADMM Cc1nc(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[n-]c(=O)c1C ZINC000538516804 938639677 /nfs/dbraw/zinc/63/96/77/938639677.db2.gz RDEPLCLUODMPLV-IBGZPJMESA-N -1 1 411.552 4.127 20 0 HIADMM Cc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cnn1C(C)C ZINC000538861959 938727246 /nfs/dbraw/zinc/72/72/46/938727246.db2.gz FZVIUTRUOAKZJD-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c(F)ccc([O-])c1F ZINC000539066197 938790489 /nfs/dbraw/zinc/79/04/89/938790489.db2.gz VETLKMOXXMXOBE-UHFFFAOYSA-N -1 1 403.212 4.078 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])C1CCOCC1 ZINC000539882927 938965360 /nfs/dbraw/zinc/96/53/60/938965360.db2.gz ZQQVLCUTHIKTNK-UHFFFAOYSA-N -1 1 423.296 4.202 20 0 HIADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000540116932 939078667 /nfs/dbraw/zinc/07/86/67/939078667.db2.gz KRKIEDPLRHZCBH-CJNGLKHVSA-N -1 1 408.470 4.169 20 0 HIADMM CC(C)(C)c1ccc2cc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)[nH]c2c1 ZINC000540250722 939168401 /nfs/dbraw/zinc/16/84/01/939168401.db2.gz PISNOTVEYITLON-UHFFFAOYSA-N -1 1 403.479 4.228 20 0 HIADMM O=S(=O)([N-]C1(c2ccc(F)cc2)CCOCC1)c1c(Cl)cccc1Cl ZINC000563651478 945236167 /nfs/dbraw/zinc/23/61/67/945236167.db2.gz UJRBIWNDCWYRJG-UHFFFAOYSA-N -1 1 404.290 4.117 20 0 HIADMM CC[C@@H](CSC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000540461558 939262093 /nfs/dbraw/zinc/26/20/93/939262093.db2.gz UHWUKWDNTAGNLK-HNNXBMFYSA-N -1 1 412.964 4.012 20 0 HIADMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1F ZINC000540663858 939334172 /nfs/dbraw/zinc/33/41/72/939334172.db2.gz GEWHSKRCLLRFIM-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(NC/C=C/c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000540887239 939410428 /nfs/dbraw/zinc/41/04/28/939410428.db2.gz ZVOBAGQEUVOMEL-QPJJXVBHSA-N -1 1 410.470 4.070 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1F ZINC000541164222 939482974 /nfs/dbraw/zinc/48/29/74/939482974.db2.gz HMYDULSFMDHMME-UHFFFAOYSA-N -1 1 420.506 4.006 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)CC(C)(C)C3)c2)cc1 ZINC000541511352 939540935 /nfs/dbraw/zinc/54/09/35/939540935.db2.gz KLQCUMWDNFWFRS-MRXNPFEDSA-N -1 1 416.543 4.004 20 0 HIADMM CSc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1Cl ZINC000541804585 939637720 /nfs/dbraw/zinc/63/77/20/939637720.db2.gz KOOCGLCJOKUEFV-UHFFFAOYSA-N -1 1 422.959 4.088 20 0 HIADMM COc1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000542900227 939875122 /nfs/dbraw/zinc/87/51/22/939875122.db2.gz OFOXPQDNLWHLHQ-UHFFFAOYSA-N -1 1 421.519 4.027 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@H]2CCCC[C@H]12 ZINC000542988835 939892049 /nfs/dbraw/zinc/89/20/49/939892049.db2.gz JJOIRWWHQDAVTE-LPTQZCDUSA-N -1 1 416.518 4.277 20 0 HIADMM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000543608216 940129385 /nfs/dbraw/zinc/12/93/85/940129385.db2.gz IQXUAVGOIZEBRO-VGOFRKELSA-N -1 1 421.522 4.106 20 0 HIADMM C[C@H](CNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000543680804 940158904 /nfs/dbraw/zinc/15/89/04/940158904.db2.gz VJQQIRBDTBPUNV-GOSISDBHSA-N -1 1 423.538 4.090 20 0 HIADMM Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000544098597 940326207 /nfs/dbraw/zinc/32/62/07/940326207.db2.gz MFDHFGHHKSBUAC-UHFFFAOYSA-N -1 1 406.460 4.065 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC(C)(C)C1 ZINC000544321688 940390109 /nfs/dbraw/zinc/39/01/09/940390109.db2.gz WMNFKDMGJPLXJN-HNNXBMFYSA-N -1 1 404.507 4.135 20 0 HIADMM O=C(Nc1cccc2ccc(O)cc21)c1ccc(I)c([O-])c1 ZINC000544833928 940518382 /nfs/dbraw/zinc/51/83/82/940518382.db2.gz YMHLBKBZKULDHX-UHFFFAOYSA-N -1 1 405.191 4.108 20 0 HIADMM CC(C)OCc1cccc(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000544868709 940520356 /nfs/dbraw/zinc/52/03/56/940520356.db2.gz GPOUSCBAECNGKL-UHFFFAOYSA-N -1 1 411.239 4.174 20 0 HIADMM CC[C@@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000544873403 940520853 /nfs/dbraw/zinc/52/08/53/940520853.db2.gz YUDYDWDDSAWIJZ-AWEZNQCLSA-N -1 1 418.412 4.087 20 0 HIADMM C[C@H](c1ccccn1)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544888538 940522016 /nfs/dbraw/zinc/52/20/16/940522016.db2.gz NGIWAZNPOREZQH-MRXNPFEDSA-N -1 1 410.499 4.107 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(CCC(F)(F)F)no3)c2)c1 ZINC000545055862 940537841 /nfs/dbraw/zinc/53/78/41/940537841.db2.gz ITBWZPVSQUNTQN-UHFFFAOYSA-N -1 1 411.405 4.341 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc([C@H]3CCCCS3)no2)cc1 ZINC000545103428 940542982 /nfs/dbraw/zinc/54/29/82/940542982.db2.gz QIZXBUPADJFILZ-QGZVFWFLSA-N -1 1 401.513 4.496 20 0 HIADMM O=C(Nc1cccc(COCC2CC2)c1)c1ccc(I)c([O-])c1 ZINC000545457835 940570840 /nfs/dbraw/zinc/57/08/40/940570840.db2.gz MLDRWHSCAKLFJA-UHFFFAOYSA-N -1 1 423.250 4.176 20 0 HIADMM O=C(Nc1cccc(-c2nccs2)c1)c1ccc(I)c([O-])c1 ZINC000545480236 940571616 /nfs/dbraw/zinc/57/16/16/940571616.db2.gz ZQMZGFVBLYSIIB-UHFFFAOYSA-N -1 1 422.247 4.373 20 0 HIADMM CCC(CC)N(CCOC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545511067 940572486 /nfs/dbraw/zinc/57/24/86/940572486.db2.gz IVPKJALOBOFFHG-UHFFFAOYSA-N -1 1 419.547 4.156 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@@H]1c1cccnc1 ZINC000545513694 940572634 /nfs/dbraw/zinc/57/26/34/940572634.db2.gz GLFIECJWVQRYHD-OAQYLSRUSA-N -1 1 422.510 4.251 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000545514845 940572707 /nfs/dbraw/zinc/57/27/07/940572707.db2.gz PCTARKAAYXXVLA-AVRDEDQJSA-N -1 1 421.522 4.240 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@@H]1CCCC(F)(F)C1 ZINC000545514178 940572740 /nfs/dbraw/zinc/57/27/40/940572740.db2.gz DPRQBWFNTXNYQD-MRXNPFEDSA-N -1 1 409.458 4.187 20 0 HIADMM Cc1ccsc1CCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545515587 940572809 /nfs/dbraw/zinc/57/28/09/940572809.db2.gz HTDLUGKSSMRPCC-UHFFFAOYSA-N -1 1 415.540 4.222 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(Cc4ccccn4)no3)c2)c1 ZINC000545544396 940574193 /nfs/dbraw/zinc/57/41/93/940574193.db2.gz MUBBZUFWEXSPRL-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(Cc4ccncc4)no3)cc2)cc1C ZINC000545595633 940576508 /nfs/dbraw/zinc/57/65/08/940576508.db2.gz KRKKTXICISHYDV-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(C[C@@H](C)c2ccccc2)no1 ZINC000545760901 940584381 /nfs/dbraw/zinc/58/43/81/940584381.db2.gz OKTUTUYAHDIIRX-OAHLLOKOSA-N -1 1 401.470 4.067 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(CCCOC(C)C)no3)c2)c1 ZINC000545762242 940584449 /nfs/dbraw/zinc/58/44/49/940584449.db2.gz XUVDLHHYDVALJK-UHFFFAOYSA-N -1 1 415.515 4.203 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc([C@H](C)c4ccncc4)no3)c2)cc1 ZINC000545798308 940600275 /nfs/dbraw/zinc/60/02/75/940600275.db2.gz FXZFGLDLMRYYFZ-MRXNPFEDSA-N -1 1 420.494 4.393 20 0 HIADMM CCCc1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)co1 ZINC000546078167 940692917 /nfs/dbraw/zinc/69/29/17/940692917.db2.gz LBCMLVOGUZUMOR-UHFFFAOYSA-N -1 1 419.890 4.334 20 0 HIADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1 ZINC000546152842 940715069 /nfs/dbraw/zinc/71/50/69/940715069.db2.gz AUABBHRCGURZJN-UHFFFAOYSA-N -1 1 424.320 4.189 20 0 HIADMM CSCCc1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000546165516 940719517 /nfs/dbraw/zinc/71/95/17/940719517.db2.gz BQOHWJXWKRQPLX-UHFFFAOYSA-N -1 1 413.280 4.155 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000546250853 940749197 /nfs/dbraw/zinc/74/91/97/940749197.db2.gz RYUOLLQEUUEHIG-SECBINFHSA-N -1 1 418.327 4.068 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(Cc3ccccc3F)no2)cc1)c1ccccc1 ZINC000546260271 940752013 /nfs/dbraw/zinc/75/20/13/940752013.db2.gz WREDAKXDNXONEP-UHFFFAOYSA-N -1 1 409.442 4.267 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(C3CC3)no2)cc1)c1ccc(Br)cc1 ZINC000546320267 940782931 /nfs/dbraw/zinc/78/29/31/940782931.db2.gz IKNYCYLUVZNLNM-UHFFFAOYSA-N -1 1 420.288 4.177 20 0 HIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000564018271 945351729 /nfs/dbraw/zinc/35/17/29/945351729.db2.gz GCEDAXDSJMQVKR-VQTJNVASSA-N -1 1 416.518 4.277 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc([C@H]4CCO[C@H](C)C4)no3)c2)c1 ZINC000546506852 940838733 /nfs/dbraw/zinc/83/87/33/940838733.db2.gz QZXIJTNGNQDYRW-CVEARBPZSA-N -1 1 413.499 4.128 20 0 HIADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)c(C)c2)c1 ZINC000546556237 940851951 /nfs/dbraw/zinc/85/19/51/940851951.db2.gz YKAOQQZDYDWGBY-UHFFFAOYSA-N -1 1 415.536 4.256 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc(Cl)c1[O-] ZINC000546584942 940858329 /nfs/dbraw/zinc/85/83/29/940858329.db2.gz ZUCMEVHANMKXEK-GFCCVEGCSA-N -1 1 402.878 4.284 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@H]1c1ccccc1 ZINC000546700140 940870417 /nfs/dbraw/zinc/87/04/17/940870417.db2.gz YQYLPMKGDMEINN-NRFANRHFSA-N -1 1 402.498 4.239 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1OC(C)C ZINC000546885681 940901439 /nfs/dbraw/zinc/90/14/39/940901439.db2.gz JULHNFGDTFLZLU-UHFFFAOYSA-N -1 1 400.294 4.046 20 0 HIADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000546909259 940909845 /nfs/dbraw/zinc/90/98/45/940909845.db2.gz CXYAHJNZCAMPJG-OAHLLOKOSA-N -1 1 409.267 4.090 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(CC(C)C)no3)cc2)cc1 ZINC000546957858 940927620 /nfs/dbraw/zinc/92/76/20/940927620.db2.gz HCOQHHLCTGDGOO-UHFFFAOYSA-N -1 1 401.488 4.135 20 0 HIADMM CCSCc1noc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)n1 ZINC000547136823 941008368 /nfs/dbraw/zinc/00/83/68/941008368.db2.gz AALQEYOSMNCIPJ-UHFFFAOYSA-N -1 1 407.492 4.238 20 0 HIADMM CCc1cnccc1-c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000547150372 941012213 /nfs/dbraw/zinc/01/22/13/941012213.db2.gz FNRTWNOPTBPESY-UHFFFAOYSA-N -1 1 406.467 4.162 20 0 HIADMM CCc1cnccc1-c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000547150712 941012314 /nfs/dbraw/zinc/01/23/14/941012314.db2.gz HQARMGQTCVBGFX-UHFFFAOYSA-N -1 1 424.457 4.301 20 0 HIADMM Cc1csc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)n2)n1 ZINC000547210192 941033232 /nfs/dbraw/zinc/03/32/32/941033232.db2.gz YNHQCSPGZOQDNB-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc(Cl)c1[O-] ZINC000547291981 941053648 /nfs/dbraw/zinc/05/36/48/941053648.db2.gz QKPPIPBSDDUVCT-UHFFFAOYSA-N -1 1 403.784 4.402 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC2(CC2)c2ccccc21 ZINC000547821343 941076984 /nfs/dbraw/zinc/07/69/84/941076984.db2.gz KAXQHPVAJOUAPQ-UHFFFAOYSA-N -1 1 422.481 4.319 20 0 HIADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000547875340 941079437 /nfs/dbraw/zinc/07/94/37/941079437.db2.gz DHWZVLPPNMQSEV-UHFFFAOYSA-N -1 1 407.797 4.475 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cnc(-c2cccnc2)s1 ZINC000548049484 941084238 /nfs/dbraw/zinc/08/42/38/941084238.db2.gz QYOLWCGNFXHKRY-UHFFFAOYSA-N -1 1 422.510 4.226 20 0 HIADMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000548528624 941112633 /nfs/dbraw/zinc/11/26/33/941112633.db2.gz GSJACZRWPRYFQS-UHFFFAOYSA-N -1 1 411.760 4.305 20 0 HIADMM O=C(Nc1ccc(Br)cc1O)c1cc(Br)cc2nc[nH]c21 ZINC000548872568 941127422 /nfs/dbraw/zinc/12/74/22/941127422.db2.gz PYQJERMJGGLTGM-UHFFFAOYSA-N -1 1 411.053 4.046 20 0 HIADMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(C)(F)F ZINC000548988073 941139193 /nfs/dbraw/zinc/13/91/93/941139193.db2.gz YXPQXGXPYWSTJJ-NSHDSACASA-N -1 1 402.850 4.371 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1Cl ZINC000549912197 941237630 /nfs/dbraw/zinc/23/76/30/941237630.db2.gz CNWXTUJHQAHZDA-SNVBAGLBSA-N -1 1 402.872 4.100 20 0 HIADMM CCCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)cc1 ZINC000551106693 941411247 /nfs/dbraw/zinc/41/12/47/941411247.db2.gz DUDLJVWJEJCFDT-UHFFFAOYSA-N -1 1 414.571 4.167 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(Cc4cccnc4)no3)cc2)c1 ZINC000551397856 941469631 /nfs/dbraw/zinc/46/96/31/941469631.db2.gz SQUFFEMGCBKIIV-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)n[n-]1 ZINC000552008278 941567603 /nfs/dbraw/zinc/56/76/03/941567603.db2.gz RKEOPCQTOQJEKO-AABGKKOBSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)[n-]1 ZINC000552008278 941567608 /nfs/dbraw/zinc/56/76/08/941567608.db2.gz RKEOPCQTOQJEKO-AABGKKOBSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)n1 ZINC000552008278 941567617 /nfs/dbraw/zinc/56/76/17/941567617.db2.gz RKEOPCQTOQJEKO-AABGKKOBSA-N -1 1 420.513 4.142 20 0 HIADMM CCCN(CCC)C(=O)CCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552197809 941600500 /nfs/dbraw/zinc/60/05/00/941600500.db2.gz PEJFYFGNXGIZNA-UHFFFAOYSA-N -1 1 405.720 4.175 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000552756670 941753400 /nfs/dbraw/zinc/75/34/00/941753400.db2.gz ONPXNSBLYVNIGM-UHFFFAOYSA-N -1 1 422.501 4.218 20 0 HIADMM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000553225694 941852808 /nfs/dbraw/zinc/85/28/08/941852808.db2.gz FVWXSQMXOHEVCH-KDOFPFPSSA-N -1 1 415.559 4.154 20 0 HIADMM C[C@@H](c1ccccc1)N(C(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000553478278 941891862 /nfs/dbraw/zinc/89/18/62/941891862.db2.gz LCQJTYMRFWNYFV-LBPRGKRZSA-N -1 1 407.251 4.363 20 0 HIADMM C[C@@H](Cc1ccccc1)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000553945374 942005054 /nfs/dbraw/zinc/00/50/54/942005054.db2.gz QINFAWMZUGCOOC-IBGZPJMESA-N -1 1 422.550 4.325 20 0 HIADMM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1c(Cl)cc(Cl)cc1Cl ZINC000554919547 942319546 /nfs/dbraw/zinc/31/95/46/942319546.db2.gz KBTWSJVLFFLONL-CXAGYDPISA-N -1 1 420.745 4.091 20 0 HIADMM Cc1sc(NC(=O)c2c(F)ccc([O-])c2F)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000555621788 942674566 /nfs/dbraw/zinc/67/45/66/942674566.db2.gz PREIUZMBEIYEEL-UHFFFAOYSA-N -1 1 415.421 4.239 20 0 HIADMM CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000556036672 942791331 /nfs/dbraw/zinc/79/13/31/942791331.db2.gz APVVZLVXPHDUSH-UHFFFAOYSA-N -1 1 408.886 4.260 20 0 HIADMM Cc1nc(CC(C)C)c([N-]S(=O)(=O)Cc2ccc(Br)cc2)s1 ZINC000556316222 942839230 /nfs/dbraw/zinc/83/92/30/942839230.db2.gz SALCWJMSRJBFDA-UHFFFAOYSA-N -1 1 403.367 4.354 20 0 HIADMM COc1ccc2c(c1)CCC[C@@]2(NCc1ccc(F)cc1Br)C(=O)[O-] ZINC000556327844 942842421 /nfs/dbraw/zinc/84/24/21/942842421.db2.gz CINTZXVPFZDRNE-IBGZPJMESA-N -1 1 408.267 4.003 20 0 HIADMM O=C(CCc1ccc2c(c1)OCCO2)Nc1c([O-])cc(Br)cc1Cl ZINC000556846330 942939014 /nfs/dbraw/zinc/93/90/14/942939014.db2.gz KNMXUBIBRNMVDM-UHFFFAOYSA-N -1 1 412.667 4.151 20 0 HIADMM COCCOc1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000556846985 942939088 /nfs/dbraw/zinc/93/90/88/942939088.db2.gz ULFOVOVBVBQVGL-UHFFFAOYSA-N -1 1 400.656 4.086 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@](C)(O)CSc2cccc(F)c2)c1 ZINC000556968069 942983229 /nfs/dbraw/zinc/98/32/29/942983229.db2.gz GORNYGZKTVTUFU-KRWDZBQOSA-N -1 1 414.296 4.084 20 0 HIADMM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1cnc(OCC2CC2)cn1 ZINC000557346832 943080252 /nfs/dbraw/zinc/08/02/52/943080252.db2.gz RWCNFWNKZMRZFI-UHFFFAOYSA-N -1 1 403.394 4.088 20 0 HIADMM O=C(NCc1ccncc1OCc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000557361548 943087076 /nfs/dbraw/zinc/08/70/76/943087076.db2.gz LVQGLYKCNQZQOO-UHFFFAOYSA-N -1 1 413.271 4.059 20 0 HIADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](F)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000557951160 943338467 /nfs/dbraw/zinc/33/84/67/943338467.db2.gz JMKHMNKUNDSMCV-HOTGVXAUSA-N -1 1 410.898 4.070 20 0 HIADMM COc1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000558382292 943537203 /nfs/dbraw/zinc/53/72/03/943537203.db2.gz QXMIUTAIMJVMRZ-DNVCBOLYSA-N -1 1 417.531 4.072 20 0 HIADMM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000559584328 944012009 /nfs/dbraw/zinc/01/20/09/944012009.db2.gz CHGRFHWDBRUFIJ-BLLLJJGKSA-N -1 1 406.433 4.388 20 0 HIADMM Cc1cccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000560955957 944375739 /nfs/dbraw/zinc/37/57/39/944375739.db2.gz HETKJOBZBCEPAX-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)oc2c1)c1ccc2ncccc2c1 ZINC000561781858 944794860 /nfs/dbraw/zinc/79/48/60/944794860.db2.gz HCCLFBDHYIDRNK-UHFFFAOYSA-N -1 1 402.435 4.239 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)n1 ZINC000562117058 944949539 /nfs/dbraw/zinc/94/95/39/944949539.db2.gz JEEGLBKPIDCHFT-FQEVSTJZSA-N -1 1 401.488 4.117 20 0 HIADMM CCC[C@@H]1SCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000564236162 945452870 /nfs/dbraw/zinc/45/28/70/945452870.db2.gz HIJDCPKLSOPWOG-IBGZPJMESA-N -1 1 422.547 4.250 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000565375264 945818323 /nfs/dbraw/zinc/81/83/23/945818323.db2.gz FYWKBAVBBIDBEB-GFCCVEGCSA-N -1 1 424.810 4.286 20 0 HIADMM CC(C)c1nc2ccccc2n1Cc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000565860633 945897377 /nfs/dbraw/zinc/89/73/77/945897377.db2.gz SKLXHSXXJQWZJC-UHFFFAOYSA-N -1 1 412.453 4.212 20 0 HIADMM O=C(Nc1ccccc1)NC1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000565962103 945941435 /nfs/dbraw/zinc/94/14/35/945941435.db2.gz JPIIFRZELGKNQK-UHFFFAOYSA-N -1 1 424.888 4.020 20 0 HIADMM CN1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)[C@H]1c1cccs1 ZINC000566519184 946026502 /nfs/dbraw/zinc/02/65/02/946026502.db2.gz LEOFRKYNPPXIFL-BZNIZROVSA-N -1 1 420.934 4.041 20 0 HIADMM Cc1ocnc1-c1noc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC000567066726 946230311 /nfs/dbraw/zinc/23/03/11/946230311.db2.gz INDHARGXYHFSKF-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(CC)cc(C)cc2CC)cc1 ZINC000567196765 946266731 /nfs/dbraw/zinc/26/67/31/946266731.db2.gz VCUSUYVCTCEJHP-UHFFFAOYSA-N -1 1 409.573 4.104 20 0 HIADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c1-c1cccs1 ZINC000567290873 946296847 /nfs/dbraw/zinc/29/68/47/946296847.db2.gz RYAKEFHYTWBHOK-UHFFFAOYSA-N -1 1 401.513 4.020 20 0 HIADMM CC(C)[C@H](c1noc(C[N-]S(=O)(=O)c2cccs2)n1)c1ccc(Cl)cc1 ZINC000567428076 946337022 /nfs/dbraw/zinc/33/70/22/946337022.db2.gz PWCHEGNUVDYBFJ-INIZCTEOSA-N -1 1 411.936 4.051 20 0 HIADMM CC(C)c1nc(C2CCN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)CC2)no1 ZINC000568613329 946626102 /nfs/dbraw/zinc/62/61/02/946626102.db2.gz VOVQXTMPNHOHNP-UHFFFAOYSA-N -1 1 400.866 4.120 20 0 HIADMM CCC[C@H](CC)S(=O)(=O)Nc1cc([O-])c(Br)cc1Br ZINC000568828125 946721125 /nfs/dbraw/zinc/72/11/25/946721125.db2.gz MGDIBXDTFGFKSS-QMMMGPOBSA-N -1 1 415.147 4.238 20 0 HIADMM CN(CC[N@@H+](C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)c1ccccc1 ZINC000571929223 947813756 /nfs/dbraw/zinc/81/37/56/947813756.db2.gz LUBZFHQVAUPXIC-UHFFFAOYSA-N -1 1 422.529 4.359 20 0 HIADMM CN(CCN(C)c1ccccc1)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000571929223 947813761 /nfs/dbraw/zinc/81/37/61/947813761.db2.gz LUBZFHQVAUPXIC-UHFFFAOYSA-N -1 1 422.529 4.359 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(Cl)cc1N1CCOCC1)c1ccc(C(F)F)cc1 ZINC000572156115 947851739 /nfs/dbraw/zinc/85/17/39/947851739.db2.gz ZNVYPLXTHBTBRS-UHFFFAOYSA-N -1 1 420.840 4.054 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCCc2occc2C1 ZINC000573284097 948142783 /nfs/dbraw/zinc/14/27/83/948142783.db2.gz MCOPBSAXIAYRET-UHFFFAOYSA-N -1 1 411.483 4.061 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000573635733 948261360 /nfs/dbraw/zinc/26/13/60/948261360.db2.gz AVANPDQHOVHORF-UHFFFAOYSA-N -1 1 418.541 4.441 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C1CCC1)C1CCC1 ZINC000573858432 948313085 /nfs/dbraw/zinc/31/30/85/948313085.db2.gz YSRGVBYSQYLTCF-UHFFFAOYSA-N -1 1 416.518 4.482 20 0 HIADMM O=C([N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1snnc1C1CC1 ZINC000574327725 948413637 /nfs/dbraw/zinc/41/36/37/948413637.db2.gz LNQORNDHICLZFZ-UHFFFAOYSA-N -1 1 413.406 4.085 20 0 HIADMM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1nc(-c2ccccc2F)n[n-]1 ZINC000574715805 948510417 /nfs/dbraw/zinc/51/04/17/948510417.db2.gz NRVDYRKNDCSUOE-VIFPVBQESA-N -1 1 400.262 4.453 20 0 HIADMM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000574715805 948510419 /nfs/dbraw/zinc/51/04/19/948510419.db2.gz NRVDYRKNDCSUOE-VIFPVBQESA-N -1 1 400.262 4.453 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000575323530 948646236 /nfs/dbraw/zinc/64/62/36/948646236.db2.gz YFFLROBBXZXZNN-ZDUSSCGKSA-N -1 1 411.449 4.251 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000435936175 861197049 /nfs/dbraw/zinc/19/70/49/861197049.db2.gz MACZNFYQWSNJQI-SJLPKXTDSA-N -1 1 420.488 4.077 20 0 HIADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000435966958 861227936 /nfs/dbraw/zinc/22/79/36/861227936.db2.gz MGILAFVHAOXEQV-ZWKOTPCHSA-N -1 1 424.444 4.035 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000435975723 861240026 /nfs/dbraw/zinc/24/00/26/861240026.db2.gz WWOPUZWMCLTKRA-XZOQPEGZSA-N -1 1 424.504 4.311 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1Br ZINC000436005246 861292128 /nfs/dbraw/zinc/29/21/28/861292128.db2.gz GKVANVVKDCBMGW-UHFFFAOYSA-N -1 1 411.321 4.332 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)cc1Br ZINC000436162573 861463749 /nfs/dbraw/zinc/46/37/49/861463749.db2.gz SHZNBZGMPNBKKE-UHFFFAOYSA-N -1 1 423.288 4.263 20 0 HIADMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000436166703 861468816 /nfs/dbraw/zinc/46/88/16/861468816.db2.gz DDVXMPZUOMUEKG-UHFFFAOYSA-N -1 1 417.437 4.246 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)n1 ZINC000436198238 861498496 /nfs/dbraw/zinc/49/84/96/861498496.db2.gz OFYTWUVZBRNBLG-HXUWFJFHSA-N -1 1 413.930 4.396 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)n1 ZINC000436208102 861509057 /nfs/dbraw/zinc/50/90/57/861509057.db2.gz JDSFBLFAPHMASU-NXEZZACHSA-N -1 1 402.545 4.433 20 0 HIADMM Cc1cc(F)ccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000003570042 845042811 /nfs/dbraw/zinc/04/28/11/845042811.db2.gz IXTXWMVHAOUHJK-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=c1cc(CSc2nnc(Cc3cccs3)n2C2CC2)c2ccc([O-])cc2o1 ZINC000007843880 845427940 /nfs/dbraw/zinc/42/79/40/845427940.db2.gz HIFDPJNCVZXYMX-UHFFFAOYSA-N -1 1 411.508 4.370 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000008033502 845465923 /nfs/dbraw/zinc/46/59/23/845465923.db2.gz QYYFFPLPWDJTQO-GOSISDBHSA-N -1 1 408.523 4.329 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCC[C@H]3C)c2)cc1 ZINC000008033594 845466227 /nfs/dbraw/zinc/46/62/27/845466227.db2.gz XSMSLELNRUIKDA-IERDGZPVSA-N -1 1 416.543 4.195 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000008287044 845507136 /nfs/dbraw/zinc/50/71/36/845507136.db2.gz QJSZGUSINHZTQS-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1F ZINC000008287774 845507278 /nfs/dbraw/zinc/50/72/78/845507278.db2.gz XMDYSGCBQLNSDS-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cccc(F)c1 ZINC000008287933 845507350 /nfs/dbraw/zinc/50/73/50/845507350.db2.gz MWOOLYZNTDOOTI-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000008288771 845508062 /nfs/dbraw/zinc/50/80/62/845508062.db2.gz ALCGCOPKSMYKKS-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM O=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000008378289 845521302 /nfs/dbraw/zinc/52/13/02/845521302.db2.gz ZJSYXBOZCGZUFY-UHFFFAOYSA-N -1 1 410.470 4.368 20 0 HIADMM CC(=O)CCc1ccc2oc(C(=O)OCc3cc(=O)oc4cc([O-])ccc34)c(C)c2c1 ZINC000008807458 845550213 /nfs/dbraw/zinc/55/02/13/845550213.db2.gz QTAZLNRWAYTBJW-UHFFFAOYSA-N -1 1 420.417 4.432 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c(=O)[n-]1 ZINC000436274736 861584237 /nfs/dbraw/zinc/58/42/37/861584237.db2.gz MUFDWPOYEJLNCW-IBGZPJMESA-N -1 1 405.523 4.324 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000009894981 845600930 /nfs/dbraw/zinc/60/09/30/845600930.db2.gz XSAFUIONSQYOFU-JOCHJYFZSA-N -1 1 406.507 4.465 20 0 HIADMM Cc1cccc(OCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000009903591 845602336 /nfs/dbraw/zinc/60/23/36/845602336.db2.gz WBUFRJDLMXYWFK-UHFFFAOYSA-N -1 1 410.495 4.203 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCc3nc4ccccc4o3)cc2)cc1 ZINC000010486734 845666394 /nfs/dbraw/zinc/66/63/94/845666394.db2.gz UPAKJIUDFPSLLP-UHFFFAOYSA-N -1 1 422.462 4.294 20 0 HIADMM Cc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n1 ZINC000010555732 845674457 /nfs/dbraw/zinc/67/44/57/845674457.db2.gz HJXOIEKRXBKRMO-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCn1c2ccccc2nc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000010652009 845686980 /nfs/dbraw/zinc/68/69/80/845686980.db2.gz UFISZZWEOURYCQ-UHFFFAOYSA-N -1 1 412.906 4.269 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N3CCCC3)c(C)c2)cc1 ZINC000011326067 845779778 /nfs/dbraw/zinc/77/97/78/845779778.db2.gz XURCEAPNSOVRMO-UHFFFAOYSA-N -1 1 423.542 4.164 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000011750347 845830137 /nfs/dbraw/zinc/83/01/37/845830137.db2.gz VYHACBQHQKVIMS-UHFFFAOYSA-N -1 1 422.554 4.244 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000011916693 845840836 /nfs/dbraw/zinc/84/08/36/845840836.db2.gz APPRWLLHDNPUBU-UHFFFAOYSA-N -1 1 421.526 4.072 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1 ZINC000012216237 845860910 /nfs/dbraw/zinc/86/09/10/845860910.db2.gz HQBJBKNJPWLOBA-UHFFFAOYSA-N -1 1 412.536 4.056 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)cc1OC ZINC000012649551 845882188 /nfs/dbraw/zinc/88/21/88/845882188.db2.gz GOFUMDTVUCQRAQ-UHFFFAOYSA-N -1 1 416.524 4.192 20 0 HIADMM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000012647412 845882237 /nfs/dbraw/zinc/88/22/37/845882237.db2.gz KHHIRPQYCFTFID-UHFFFAOYSA-N -1 1 413.446 4.391 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccccc3SCc3ccccc3)cc2CC1=O ZINC000012648883 845882283 /nfs/dbraw/zinc/88/22/83/845882283.db2.gz NHPJXDOYKXVUKZ-UHFFFAOYSA-N -1 1 424.547 4.299 20 0 HIADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C3SCCS3)c2)c1 ZINC000013183414 845908688 /nfs/dbraw/zinc/90/86/88/845908688.db2.gz MSDKMLRSMOATLH-UHFFFAOYSA-N -1 1 415.945 4.318 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000015339924 846037134 /nfs/dbraw/zinc/03/71/34/846037134.db2.gz OYOSQAZIGHCPBX-INIZCTEOSA-N -1 1 422.506 4.181 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc(Cl)cc1 ZINC000015417484 846046152 /nfs/dbraw/zinc/04/61/52/846046152.db2.gz MXECIYFLPIQYTI-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3F)c2)cc1F ZINC000015422100 846047029 /nfs/dbraw/zinc/04/70/29/846047029.db2.gz CLWOWGYMMSOVDH-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000015422207 846047372 /nfs/dbraw/zinc/04/73/72/846047372.db2.gz UXXIADYWZNQTMC-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccnc3)c2)cc1C ZINC000015436302 846049317 /nfs/dbraw/zinc/04/93/17/846049317.db2.gz RXZDIJDXGPNMOK-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CCSc1ccc(C)cc1 ZINC000015469721 846051431 /nfs/dbraw/zinc/05/14/31/846051431.db2.gz QJXCOAJWGVWZJI-UHFFFAOYSA-N -1 1 411.552 4.370 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c(F)c1 ZINC000015544801 846060888 /nfs/dbraw/zinc/06/08/88/846060888.db2.gz KAOOFIGIDCILCH-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000015563616 846062831 /nfs/dbraw/zinc/06/28/31/846062831.db2.gz GDZAWXAJJOZPQW-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)ccc1F ZINC000015564150 846063346 /nfs/dbraw/zinc/06/33/46/846063346.db2.gz CKJLTTWQWZZTRS-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000015591993 846068260 /nfs/dbraw/zinc/06/82/60/846068260.db2.gz NUHUZVGVFRALGZ-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015617842 846074081 /nfs/dbraw/zinc/07/40/81/846074081.db2.gz RSKYVDAWBHXXTC-UHFFFAOYSA-N -1 1 404.875 4.006 20 0 HIADMM O=C(/C=C/c1cccs1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015744217 846088686 /nfs/dbraw/zinc/08/86/86/846088686.db2.gz XNLBRMTYWZSNBI-JXMROGBWSA-N -1 1 420.462 4.479 20 0 HIADMM O=C(Cc1cccc(F)c1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015744275 846089001 /nfs/dbraw/zinc/08/90/01/846089001.db2.gz OZLSIMZJUCDQQH-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c(O)c1 ZINC000015923000 846102858 /nfs/dbraw/zinc/10/28/58/846102858.db2.gz ZPVMOOPVHUOIQN-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)COc3cccc(C)c3)ccc2C)c1 ZINC000015950500 846103897 /nfs/dbraw/zinc/10/38/97/846103897.db2.gz ABLKSVOELQRHCU-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(F)c(Cl)c1 ZINC000016150424 846130712 /nfs/dbraw/zinc/13/07/12/846130712.db2.gz FJXBFKNXVUJDOY-UHFFFAOYSA-N -1 1 420.897 4.265 20 0 HIADMM O=c1cc(CSc2nnc(NCCc3ccccc3)s2)c2ccc([O-])cc2o1 ZINC000016556902 846184625 /nfs/dbraw/zinc/18/46/25/846184625.db2.gz JPYWSFKSZACICN-UHFFFAOYSA-N -1 1 411.508 4.297 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)c1 ZINC000016597663 846188111 /nfs/dbraw/zinc/18/81/11/846188111.db2.gz JTEDEBOATNNLMP-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N(C)C)cc3)ccc2C)cc1 ZINC000016597390 846188482 /nfs/dbraw/zinc/18/84/82/846188482.db2.gz JCRBDBNUKJXWDE-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC000016600784 846189532 /nfs/dbraw/zinc/18/95/32/846189532.db2.gz QWBCTBYMWKIPCJ-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000016640624 846193318 /nfs/dbraw/zinc/19/33/18/846193318.db2.gz PNPFKLVMPKFEEM-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1nc(-c2ccc(F)cc2)sc1C(=O)[N-]n1cnc2sc(C)c(C)c2c1=O ZINC000017161095 846234697 /nfs/dbraw/zinc/23/46/97/846234697.db2.gz BCZBGFOQKHOHBW-UHFFFAOYSA-N -1 1 414.487 4.030 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCc2ccccc2)cc1 ZINC000017298481 846241320 /nfs/dbraw/zinc/24/13/20/846241320.db2.gz AFJMIHAEACJFHT-UHFFFAOYSA-N -1 1 410.543 4.145 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)c1C ZINC000017301902 846241776 /nfs/dbraw/zinc/24/17/76/846241776.db2.gz RIKFVBIPPSZBAI-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM COc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000018076510 846292166 /nfs/dbraw/zinc/29/21/66/846292166.db2.gz SWMHOVRBPNZWHF-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2cccc(Cl)c2)c1 ZINC000018105877 846296558 /nfs/dbraw/zinc/29/65/58/846296558.db2.gz QWFICJUFJDABTP-UHFFFAOYSA-N -1 1 400.935 4.319 20 0 HIADMM CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc([O-])cc3)n2CC)cc1 ZINC000018583894 846333684 /nfs/dbraw/zinc/33/36/84/846333684.db2.gz KTEVDLIAJYDOPG-UHFFFAOYSA-N -1 1 410.543 4.492 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)c(=O)[n-]1 ZINC000436351307 861671336 /nfs/dbraw/zinc/67/13/36/861671336.db2.gz YHZAMDJYSJPGMX-OAHLLOKOSA-N -1 1 413.465 4.263 20 0 HIADMM CCOc1ccc(SCC(=O)OCc2cc(=O)oc3cc([O-])c(CC)cc23)cc1 ZINC000021437763 846444006 /nfs/dbraw/zinc/44/40/06/846444006.db2.gz MSNDWTBPWLXWIE-UHFFFAOYSA-N -1 1 414.479 4.295 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3ccc4ccccc4c3)s2)cc1 ZINC000021863878 846504494 /nfs/dbraw/zinc/50/44/94/846504494.db2.gz YLPZQARBXWGCSG-LJQANCHMSA-N -1 1 405.479 4.287 20 0 HIADMM Cc1ccc(O[C@@H](C)C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000022035980 846523626 /nfs/dbraw/zinc/52/36/26/846523626.db2.gz HLQFIZDEJFCLLY-HNNXBMFYSA-N -1 1 420.490 4.471 20 0 HIADMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000022959967 846640103 /nfs/dbraw/zinc/64/01/03/846640103.db2.gz YWTBUNTVUQVUQD-UHFFFAOYSA-N -1 1 400.422 4.035 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1C ZINC000023155366 846665050 /nfs/dbraw/zinc/66/50/50/846665050.db2.gz MXJDBRAVAKMJMK-HOTGVXAUSA-N -1 1 400.544 4.222 20 0 HIADMM CC[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000023748711 846745920 /nfs/dbraw/zinc/74/59/20/846745920.db2.gz MWBKFHIOGCWEKU-GOSISDBHSA-N -1 1 408.523 4.411 20 0 HIADMM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3ccc(F)cc3)s2)C1=O ZINC000023954212 846761802 /nfs/dbraw/zinc/76/18/02/846761802.db2.gz BCAPXHIOYCCEKG-JOCHJYFZSA-N -1 1 423.469 4.056 20 0 HIADMM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000024248372 846806594 /nfs/dbraw/zinc/80/65/94/846806594.db2.gz ILGPKKQNVMRWQU-UHFFFAOYSA-N -1 1 408.676 4.359 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccsc3)ccc2C)c1 ZINC000024383820 846820004 /nfs/dbraw/zinc/82/00/04/846820004.db2.gz QHQGATZZWFNVIC-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2C)cc1C ZINC000024433852 846823260 /nfs/dbraw/zinc/82/32/60/846823260.db2.gz JOFVOHQIBHZXSD-UHFFFAOYSA-N -1 1 410.543 4.398 20 0 HIADMM O=C(NCc1ccc(Cl)s1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000025523674 846991863 /nfs/dbraw/zinc/99/18/63/846991863.db2.gz GHDKYQOOWXDTIX-UHFFFAOYSA-N -1 1 424.906 4.271 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)s3)c2)cc1 ZINC000025523602 846992514 /nfs/dbraw/zinc/99/25/14/846992514.db2.gz KTWBPBWLBIDMPY-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1 ZINC000025590207 847004895 /nfs/dbraw/zinc/00/48/95/847004895.db2.gz KSCYWFCDMSTQNB-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000025741139 847028955 /nfs/dbraw/zinc/02/89/55/847028955.db2.gz HOGUQDLGWXGZHW-UHFFFAOYSA-N -1 1 411.321 4.235 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1 ZINC000025742664 847030195 /nfs/dbraw/zinc/03/01/95/847030195.db2.gz VWGACUDIWAGEAH-UHFFFAOYSA-N -1 1 415.559 4.462 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)CSc3ccc(C)cc3)n2)n[n-]c1=S ZINC000026042833 847076226 /nfs/dbraw/zinc/07/62/26/847076226.db2.gz QOGHZLGABGSQGC-UHFFFAOYSA-N -1 1 417.585 4.213 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)n2)n[n-]c1=S ZINC000026094434 847082716 /nfs/dbraw/zinc/08/27/16/847082716.db2.gz GNQBXAMYEUBTOU-GJZGRUSLSA-N -1 1 415.519 4.055 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3cc4c(cccc4F)[nH]3)n2)n[n-]c1=S ZINC000026095455 847082787 /nfs/dbraw/zinc/08/27/87/847082787.db2.gz GFVQVVVUUSZLAQ-UHFFFAOYSA-N -1 1 414.491 4.047 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)C1 ZINC000027152913 847255751 /nfs/dbraw/zinc/25/57/51/847255751.db2.gz FLAFFRQKODRNKN-GOSISDBHSA-N -1 1 400.544 4.366 20 0 HIADMM COc1ccc(CN(C)Cc2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)cc1 ZINC000027346905 847287453 /nfs/dbraw/zinc/28/74/53/847287453.db2.gz MUCFBQKKRHMKEI-UHFFFAOYSA-N -1 1 421.522 4.301 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000028063985 847380793 /nfs/dbraw/zinc/38/07/93/847380793.db2.gz CJEKKLOCZPBYLT-BUHFOSPRSA-N -1 1 414.490 4.141 20 0 HIADMM O=C(c1cc(I)ccc1[O-])N1CCC(Cc2ccccc2)CC1 ZINC000028199119 847396078 /nfs/dbraw/zinc/39/60/78/847396078.db2.gz FIYFNKUORHPOQT-UHFFFAOYSA-N -1 1 421.278 4.092 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c(Br)c1 ZINC000028238111 847397142 /nfs/dbraw/zinc/39/71/42/847397142.db2.gz VCAONCNNKVPIHF-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000028419618 847419044 /nfs/dbraw/zinc/41/90/44/847419044.db2.gz MLPVGPHZRSYMFB-UHFFFAOYSA-N -1 1 411.914 4.265 20 0 HIADMM O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)[N-]C(=O)c1ccccc1 ZINC000028674764 847445114 /nfs/dbraw/zinc/44/51/14/847445114.db2.gz STJMZEIFAKZCJT-UHFFFAOYSA-N -1 1 422.487 4.138 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)cc1 ZINC000029047766 847497391 /nfs/dbraw/zinc/49/73/91/847497391.db2.gz GFUBVENYOZVRTO-UHFFFAOYSA-N -1 1 424.950 4.012 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2C(F)(F)F)cc1 ZINC000029044373 847497524 /nfs/dbraw/zinc/49/75/24/847497524.db2.gz YEZCRRALTIMXJM-UHFFFAOYSA-N -1 1 416.421 4.253 20 0 HIADMM Cc1ccsc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000029235170 847528827 /nfs/dbraw/zinc/52/88/27/847528827.db2.gz VGXXGBGMHXIUFU-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c[nH]nc4c3)cc2)ccc1F ZINC000029373230 847554101 /nfs/dbraw/zinc/55/41/01/847554101.db2.gz IZGLKMHGWHMKGC-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4c[nH]nc43)c2)cc1F ZINC000029385331 847556557 /nfs/dbraw/zinc/55/65/57/847556557.db2.gz JPRHWMZCTQOGST-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000029450603 847566110 /nfs/dbraw/zinc/56/61/10/847566110.db2.gz VGKNCKRJIFTLOP-MRXNPFEDSA-N -1 1 404.532 4.147 20 0 HIADMM Cc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)sc1C ZINC000029582118 847583200 /nfs/dbraw/zinc/58/32/00/847583200.db2.gz XYNXCUPZMGJMQH-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM COc1ccc(NC(=O)c2ccc(-c3ccccc3)s2)cc1[N-]S(C)(=O)=O ZINC000029817382 847625900 /nfs/dbraw/zinc/62/59/00/847625900.db2.gz DNICYMFOJLFHFS-UHFFFAOYSA-N -1 1 402.497 4.048 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC(C)(C)c2ccccc2)cc1 ZINC000029913787 847649744 /nfs/dbraw/zinc/64/97/44/847649744.db2.gz UXXZBNCNYUWWFE-UHFFFAOYSA-N -1 1 410.543 4.100 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(-c3coc(C)n3)cc2)cc1 ZINC000029954724 847658837 /nfs/dbraw/zinc/65/88/37/847658837.db2.gz HTORKLDWCDEFJM-UHFFFAOYSA-N -1 1 421.482 4.218 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)Nc3ccc(C)cc3)c2)c1 ZINC000030017003 847671865 /nfs/dbraw/zinc/67/18/65/847671865.db2.gz LGZBHRBLOLYQBU-UHFFFAOYSA-N -1 1 406.438 4.222 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N(Cc1cccs1)C1CC1 ZINC000030303394 847699742 /nfs/dbraw/zinc/69/97/42/847699742.db2.gz LVJXVPREIZFVOL-UHFFFAOYSA-N -1 1 412.536 4.354 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000030371513 847707202 /nfs/dbraw/zinc/70/72/02/847707202.db2.gz BHGVUSKPNMFMJV-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@H](C)C(C)(C)C ZINC000030424480 847714017 /nfs/dbraw/zinc/71/40/17/847714017.db2.gz WFJJUJFZNNTUKC-OAHLLOKOSA-N -1 1 406.523 4.442 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1 ZINC000436517217 861832011 /nfs/dbraw/zinc/83/20/11/861832011.db2.gz YSCQDHVPPSDSSU-UHFFFAOYSA-N -1 1 420.425 4.017 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000436522079 861834339 /nfs/dbraw/zinc/83/43/39/861834339.db2.gz RCCPAWMOUQBSJZ-UHFFFAOYSA-N -1 1 412.230 4.117 20 0 HIADMM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000436533415 861839468 /nfs/dbraw/zinc/83/94/68/861839468.db2.gz IFLUKKHULBTHHA-AWEZNQCLSA-N -1 1 418.921 4.086 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3cccs3)c2)c1 ZINC000031346273 847867417 /nfs/dbraw/zinc/86/74/17/847867417.db2.gz KMFXJEWOYXMAKG-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCCOc2ccccc2)cc1 ZINC000031365268 847869884 /nfs/dbraw/zinc/86/98/84/847869884.db2.gz RTZJNUPEUUVBRB-UHFFFAOYSA-N -1 1 410.543 4.234 20 0 HIADMM C[C@H](c1ccccn1)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436535641 861839996 /nfs/dbraw/zinc/83/99/96/861839996.db2.gz AXZDFIPKHZXPRF-CYBMUJFWSA-N -1 1 411.408 4.151 20 0 HIADMM O=C(CN(Cc1ccccc1F)C(=O)c1cc(F)ccc1[O-])Nc1ccccc1F ZINC000436540554 861842593 /nfs/dbraw/zinc/84/25/93/861842593.db2.gz SAERANFMWAOZCB-UHFFFAOYSA-N -1 1 414.383 4.091 20 0 HIADMM Cc1cc(C)n(-c2ccccc2NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)n1 ZINC000031600099 847915079 /nfs/dbraw/zinc/91/50/79/847915079.db2.gz IWTGZIMMGVXGOB-UHFFFAOYSA-N -1 1 410.528 4.110 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](CC)C3)c2)cc1 ZINC000031680671 847927632 /nfs/dbraw/zinc/92/76/32/847927632.db2.gz LNCPRRGFMKCEKC-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)C1 ZINC000031681479 847928719 /nfs/dbraw/zinc/92/87/19/847928719.db2.gz JWYDLCGBGSDNAH-MRXNPFEDSA-N -1 1 404.507 4.197 20 0 HIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1ccccc1I ZINC000436548747 861847039 /nfs/dbraw/zinc/84/70/39/861847039.db2.gz USYAJPQGCVYTRU-OAHLLOKOSA-N -1 1 411.214 4.113 20 0 HIADMM CCC(CC)N(CCOC)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436556490 861849750 /nfs/dbraw/zinc/84/97/50/861849750.db2.gz LMOGQPYBIOHCJE-UHFFFAOYSA-N -1 1 420.456 4.200 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC3CCCC3)c2)cc1 ZINC000031934369 847966439 /nfs/dbraw/zinc/96/64/39/847966439.db2.gz QHNOTSVNYOCWPT-UHFFFAOYSA-N -1 1 416.543 4.196 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC1CCCC1 ZINC000032098518 847987863 /nfs/dbraw/zinc/98/78/63/847987863.db2.gz UDZIAGMGFBGNOI-UHFFFAOYSA-N -1 1 406.460 4.034 20 0 HIADMM CC[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1ccncc1 ZINC000436561460 861852572 /nfs/dbraw/zinc/85/25/72/861852572.db2.gz JANUZFVYTLTIAE-IBGZPJMESA-N -1 1 411.408 4.199 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3[C@@H](C)CCC[C@@H]3C)c([O-])c2)c1 ZINC000436561704 861852750 /nfs/dbraw/zinc/85/27/50/861852750.db2.gz IRTWTIPGAWACIT-GJZGRUSLSA-N -1 1 412.486 4.065 20 0 HIADMM O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436564253 861853543 /nfs/dbraw/zinc/85/35/43/861853543.db2.gz RDESJVRYHSAUOT-OAQYLSRUSA-N -1 1 416.477 4.114 20 0 HIADMM CCOc1cc(-c2noc([C@H](c3ccccc3)N(C)C)n2)cc(Br)c1[O-] ZINC000436565492 861854111 /nfs/dbraw/zinc/85/41/11/861854111.db2.gz MWWSNRDHTWLIRO-INIZCTEOSA-N -1 1 418.291 4.254 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(C)nc3OCC)n2)cc(Br)c1[O-] ZINC000436566595 861854164 /nfs/dbraw/zinc/85/41/64/861854164.db2.gz QRCPZDVQMAJZBU-UHFFFAOYSA-N -1 1 420.263 4.373 20 0 HIADMM CC(C)Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])cn1 ZINC000436573603 861856927 /nfs/dbraw/zinc/85/69/27/861856927.db2.gz IUHOWTNPBUPBMI-UHFFFAOYSA-N -1 1 414.412 4.028 20 0 HIADMM O=S(=O)([N-]Cc1cccc(COCc2ccccc2)c1)c1ccc(F)c(F)c1F ZINC000032442009 848027066 /nfs/dbraw/zinc/02/70/66/848027066.db2.gz AEBFVGKDOCQXSG-UHFFFAOYSA-N -1 1 421.440 4.299 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1)C1CCOCC1 ZINC000436573791 861857195 /nfs/dbraw/zinc/85/71/95/861857195.db2.gz DRQMULJQXYDQTP-UHFFFAOYSA-N -1 1 404.466 4.049 20 0 HIADMM CC(C)(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000032447863 848029876 /nfs/dbraw/zinc/02/98/76/848029876.db2.gz PBRRTPJHRBTHLN-UHFFFAOYSA-N -1 1 408.523 4.195 20 0 HIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000032532471 848044233 /nfs/dbraw/zinc/04/42/33/848044233.db2.gz IHTCHEGQOVGCTD-UHFFFAOYSA-N -1 1 417.499 4.072 20 0 HIADMM COc1cccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436583184 861859450 /nfs/dbraw/zinc/85/94/50/861859450.db2.gz NJTWMHOAFPVIGC-ZHRRBRCNSA-N -1 1 418.493 4.036 20 0 HIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2cc(C)sc2C)c1)C(=O)C(F)(F)F ZINC000032599132 848051888 /nfs/dbraw/zinc/05/18/88/848051888.db2.gz CWGLOXWWWMFLRT-UHFFFAOYSA-N -1 1 420.478 4.077 20 0 HIADMM O=C(c1cc2sccc2s1)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436583018 861859708 /nfs/dbraw/zinc/85/97/08/861859708.db2.gz FWXHODVDUIGCTB-UHFFFAOYSA-N -1 1 422.531 4.420 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 ZINC000032631335 848056439 /nfs/dbraw/zinc/05/64/39/848056439.db2.gz BBHIVUZVBDRDAN-QFIPXVFZSA-N -1 1 420.490 4.320 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC ZINC000032631373 848056708 /nfs/dbraw/zinc/05/67/08/848056708.db2.gz DYWZZHPIPMFJDN-FQEVSTJZSA-N -1 1 408.479 4.160 20 0 HIADMM O=C(CSC(F)(F)F)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000032647856 848059682 /nfs/dbraw/zinc/05/96/82/848059682.db2.gz NASLKHDLJDPJAO-UHFFFAOYSA-N -1 1 424.853 4.332 20 0 HIADMM COc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1[N-]S(C)(=O)=O ZINC000033067307 848105000 /nfs/dbraw/zinc/10/50/00/848105000.db2.gz ILIIBJBNUGYFQU-UHFFFAOYSA-N -1 1 412.467 4.111 20 0 HIADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000033098174 848108663 /nfs/dbraw/zinc/10/86/63/848108663.db2.gz TVRRTMBBRUDVNW-DNVCBOLYSA-N -1 1 404.507 4.277 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c(=O)[n-]1 ZINC000033215999 848126233 /nfs/dbraw/zinc/12/62/33/848126233.db2.gz FFKLQDVREJUWAE-UHFFFAOYSA-N -1 1 400.504 4.223 20 0 HIADMM Cc1ccccc1C[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436618462 861871646 /nfs/dbraw/zinc/87/16/46/861871646.db2.gz NYPPQPJPENBBSW-WZONZLPQSA-N -1 1 416.521 4.206 20 0 HIADMM O=C(Nc1cc(C2CC2)ccn1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436618261 861871859 /nfs/dbraw/zinc/87/18/59/861871859.db2.gz QZOFGQUVJXHZRF-HXUWFJFHSA-N -1 1 401.466 4.061 20 0 HIADMM CCc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])sc1C ZINC000436622049 861873597 /nfs/dbraw/zinc/87/35/97/861873597.db2.gz YTBFPFPPLKQYIY-GOSISDBHSA-N -1 1 409.511 4.116 20 0 HIADMM O=c1cc(CSc2nnc(COc3ccc(Cl)cc3)o2)c2ccc([O-])cc2o1 ZINC000036850059 848169948 /nfs/dbraw/zinc/16/99/48/848169948.db2.gz NSRUFYHUEPYENF-UHFFFAOYSA-N -1 1 416.842 4.406 20 0 HIADMM O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)cc1[O-] ZINC000436622451 861873773 /nfs/dbraw/zinc/87/37/73/861873773.db2.gz ZJZBQPPOWHBTAS-SFHVURJKSA-N -1 1 401.235 4.208 20 0 HIADMM O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000436639816 861878398 /nfs/dbraw/zinc/87/83/98/861878398.db2.gz MTUZZTWHOYTOPQ-UHFFFAOYSA-N -1 1 405.841 4.265 20 0 HIADMM Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436640181 861879527 /nfs/dbraw/zinc/87/95/27/861879527.db2.gz HCHMDVTZKSKZJK-UHFFFAOYSA-N -1 1 420.469 4.065 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)cc1[O-] ZINC000436643384 861880159 /nfs/dbraw/zinc/88/01/59/861880159.db2.gz XGRGMKRKROXGKU-IBGZPJMESA-N -1 1 406.482 4.154 20 0 HIADMM COc1cc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[nH]2)cc(Br)c1[O-] ZINC000436676110 861891491 /nfs/dbraw/zinc/89/14/91/861891491.db2.gz YAGHXWIQTOVGMZ-UHFFFAOYSA-N -1 1 416.058 4.374 20 0 HIADMM O=C(NCc1cc(F)cc(F)c1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436681032 861892546 /nfs/dbraw/zinc/89/25/46/861892546.db2.gz PVPAVVKRIJXXMK-UHFFFAOYSA-N -1 1 418.346 4.131 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2CCCc3occc32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436679047 861892781 /nfs/dbraw/zinc/89/27/81/861892781.db2.gz JCVLKCZNMOGEOW-SFHVURJKSA-N -1 1 412.392 4.323 20 0 HIADMM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436690789 861894984 /nfs/dbraw/zinc/89/49/84/861894984.db2.gz RAFUWNSSYNJBDE-KRWDZBQOSA-N -1 1 417.509 4.293 20 0 HIADMM O=C(CCCc1ncc(-c2ccccc2)o1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043008869 848375347 /nfs/dbraw/zinc/37/53/47/848375347.db2.gz VBJYEYLIKMQSMC-UHFFFAOYSA-N -1 1 418.493 4.491 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1[O-] ZINC000436708690 861899023 /nfs/dbraw/zinc/89/90/23/861899023.db2.gz SVOMSSVMGRMURW-UHFFFAOYSA-N -1 1 407.514 4.300 20 0 HIADMM Cc1nc([C@@H](NC(=O)c2ccc(Br)cc2[O-])c2ccc(Cl)cc2)no1 ZINC000436706956 861899163 /nfs/dbraw/zinc/89/91/63/861899163.db2.gz QQWNYVQSXPGGLA-HNNXBMFYSA-N -1 1 422.666 4.019 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000436712916 861900397 /nfs/dbraw/zinc/90/03/97/861900397.db2.gz CJURUPNXUBUCEH-CYBMUJFWSA-N -1 1 401.825 4.255 20 0 HIADMM COc1cc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(OC)cc1Cl ZINC000043449546 848424809 /nfs/dbraw/zinc/42/48/09/848424809.db2.gz DDXRBNOSKSTPFJ-UHFFFAOYSA-N -1 1 418.877 4.190 20 0 HIADMM C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC12CCC2 ZINC000436721654 861909139 /nfs/dbraw/zinc/90/91/39/861909139.db2.gz MLWUPEXWBDSFSH-UTKZUKDTSA-N -1 1 406.526 4.189 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000043765530 848461510 /nfs/dbraw/zinc/46/15/10/848461510.db2.gz CZNQQTUHDVOXJK-CQSZACIVSA-N -1 1 406.515 4.060 20 0 HIADMM CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1c(C)noc1C ZINC000436722142 861908861 /nfs/dbraw/zinc/90/88/61/861908861.db2.gz JTIUIYVKSMCUAR-WOJBJXKFSA-N -1 1 421.497 4.022 20 0 HIADMM O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000044017946 848501566 /nfs/dbraw/zinc/50/15/66/848501566.db2.gz QMACLNNQTVHQKG-UHFFFAOYSA-N -1 1 408.376 4.418 20 0 HIADMM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1cc(Br)ccc1[O-] ZINC000436725662 861911552 /nfs/dbraw/zinc/91/15/52/861911552.db2.gz YQTMJFHYVPNHSR-UHFFFAOYSA-N -1 1 416.300 4.384 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000436729501 861915109 /nfs/dbraw/zinc/91/51/09/861915109.db2.gz RQQLMOPIQIFUIT-QGZVFWFLSA-N -1 1 400.194 4.144 20 0 HIADMM Cc1cc(=O)c(C(=O)Nc2ccc(Cl)cc2[O-])nn1-c1cccc(C(F)(F)F)c1 ZINC000436740163 861921846 /nfs/dbraw/zinc/92/18/46/861921846.db2.gz PVBLCRSLWKAFCC-UHFFFAOYSA-N -1 1 423.778 4.171 20 0 HIADMM O=C(Nc1ccc(Cl)cc1O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436739267 861922394 /nfs/dbraw/zinc/92/23/94/861922394.db2.gz NMYBXGUXNMDYFX-GOSISDBHSA-N -1 1 410.857 4.148 20 0 HIADMM C[C@@H](CCc1ccco1)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436747203 861932473 /nfs/dbraw/zinc/93/24/73/861932473.db2.gz LEWHAJSRDGIAQS-ZDUSSCGKSA-N -1 1 414.408 4.267 20 0 HIADMM O=C(NCc1cccc(COC2CCOCC2)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436752352 861933549 /nfs/dbraw/zinc/93/35/49/861933549.db2.gz RFRCVJYNLQGRIM-UHFFFAOYSA-N -1 1 409.404 4.037 20 0 HIADMM C[C@H]1Cc2ccccc2N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000045863810 848742536 /nfs/dbraw/zinc/74/25/36/848742536.db2.gz OKJCWKNTHXPJLH-HNNXBMFYSA-N -1 1 410.470 4.218 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000436752973 861937973 /nfs/dbraw/zinc/93/79/73/861937973.db2.gz UJFXYAMOWIUJCX-UHFFFAOYSA-N -1 1 407.314 4.173 20 0 HIADMM COc1cc(NC(=O)c2ccccc2[O-])c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000436755365 861940919 /nfs/dbraw/zinc/94/09/19/861940919.db2.gz LMYUODWLCSPRPT-GJZGRUSLSA-N -1 1 412.486 4.065 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N([C@@H](C)C3CC3)C3CC3)c([O-])c2)c1 ZINC000436754810 861941523 /nfs/dbraw/zinc/94/15/23/861941523.db2.gz IPMSBUISUNGMTF-AWEZNQCLSA-N -1 1 424.497 4.065 20 0 HIADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436766712 861956534 /nfs/dbraw/zinc/95/65/34/861956534.db2.gz SRYUJFZSIJHHGY-YOEHRIQHSA-N -1 1 412.486 4.065 20 0 HIADMM COc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000046588523 848880958 /nfs/dbraw/zinc/88/09/58/848880958.db2.gz APORPWWXMAKKRQ-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM N#Cc1ccccc1/C=C/C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611825 848885943 /nfs/dbraw/zinc/88/59/43/848885943.db2.gz UXDFTKQZOBDOPZ-BUHFOSPRSA-N -1 1 403.463 4.011 20 0 HIADMM CCOc1ccc(-c2nc(C(=O)[N-]c3nnc(-c4ccccn4)s3)cs2)cc1 ZINC000046759522 848928224 /nfs/dbraw/zinc/92/82/24/848928224.db2.gz SGHVDLNJOARIHJ-UHFFFAOYSA-N -1 1 409.496 4.375 20 0 HIADMM CCOc1cc(-c2noc([C@H]3COc4ccccc4C3)n2)cc(Br)c1[O-] ZINC000436771560 861963186 /nfs/dbraw/zinc/96/31/86/861963186.db2.gz WWPFCWHCZBYFRI-CYBMUJFWSA-N -1 1 417.259 4.322 20 0 HIADMM COCCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000047199629 849003039 /nfs/dbraw/zinc/00/30/39/849003039.db2.gz PFVPKPZIEYKAGW-UHFFFAOYSA-N -1 1 411.285 4.108 20 0 HIADMM CCc1ccc(CCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000047362088 849032420 /nfs/dbraw/zinc/03/24/20/849032420.db2.gz DPSSRFLSVHQEEA-KRWDZBQOSA-N -1 1 405.523 4.235 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000436787964 861981127 /nfs/dbraw/zinc/98/11/27/861981127.db2.gz ABHKEPOHPVJRLP-MRXNPFEDSA-N -1 1 414.658 4.161 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)c1 ZINC000436787095 861978460 /nfs/dbraw/zinc/97/84/60/861978460.db2.gz ZYVSLXWCINGEJK-GJZGRUSLSA-N -1 1 423.513 4.029 20 0 HIADMM C[C@@H](C1CC1)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000047907190 849135560 /nfs/dbraw/zinc/13/55/60/849135560.db2.gz ZDKJHQHFVDYOJX-AWEZNQCLSA-N -1 1 402.491 4.030 20 0 HIADMM Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436818670 862003173 /nfs/dbraw/zinc/00/31/73/862003173.db2.gz LNAMDDCQOCSZCM-UHFFFAOYSA-N -1 1 424.444 4.161 20 0 HIADMM O=C(NCCOC1CCCCCC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436827192 862008142 /nfs/dbraw/zinc/00/81/42/862008142.db2.gz RWBKWGKIMPMJPS-JOCHJYFZSA-N -1 1 424.541 4.006 20 0 HIADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436830978 862011729 /nfs/dbraw/zinc/01/17/29/862011729.db2.gz DXOJKZQKWVYDNP-AWEZNQCLSA-N -1 1 402.441 4.431 20 0 HIADMM CCc1ccc(O)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436839995 862016349 /nfs/dbraw/zinc/01/63/49/862016349.db2.gz PIYOTRGCHIHYBE-FQEVSTJZSA-N -1 1 404.466 4.057 20 0 HIADMM Cc1cc(O[C@@H](C)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1Cl ZINC000051286281 849453848 /nfs/dbraw/zinc/45/38/48/849453848.db2.gz ONAHDTALSRIVOM-HNNXBMFYSA-N -1 1 401.890 4.243 20 0 HIADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000051468002 849473313 /nfs/dbraw/zinc/47/33/13/849473313.db2.gz YOGODFMKPBUKIY-BEFAXECRSA-N -1 1 404.304 4.395 20 0 HIADMM CO[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000436855669 862035918 /nfs/dbraw/zinc/03/59/18/862035918.db2.gz QEPQKHFFJCSZDG-OKILXGFUSA-N -1 1 423.296 4.201 20 0 HIADMM CSC[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436858217 862037001 /nfs/dbraw/zinc/03/70/01/862037001.db2.gz ZSVZZYXFYSRDIY-ZDUSSCGKSA-N -1 1 420.481 4.138 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Oc4ccccc4)c3)ccc21 ZINC000052781215 849628948 /nfs/dbraw/zinc/62/89/48/849628948.db2.gz RSAWOLUIKPNTOA-UHFFFAOYSA-N -1 1 408.479 4.189 20 0 HIADMM O=C(NCCCc1nc(-c2ccncc2)cs1)c1cc(Br)ccc1[O-] ZINC000436862370 862041051 /nfs/dbraw/zinc/04/10/51/862041051.db2.gz HEERISHPMDNHCS-UHFFFAOYSA-N -1 1 418.316 4.036 20 0 HIADMM CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436863188 862042441 /nfs/dbraw/zinc/04/24/41/862042441.db2.gz SQVQHRKLIADJMZ-UHFFFAOYSA-N -1 1 417.490 4.148 20 0 HIADMM O=C(Nc1cc(F)cc(NC(=O)c2ccc(O)cc2F)c1)c1ccc([O-])cc1F ZINC000436866533 862044061 /nfs/dbraw/zinc/04/40/61/862044061.db2.gz YYQOXLCDJHLTAI-UHFFFAOYSA-N -1 1 402.328 4.020 20 0 HIADMM Cc1ccc(NC(=O)COC2CCCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000053159220 849673752 /nfs/dbraw/zinc/67/37/52/849673752.db2.gz INLOCALZZHELTF-UHFFFAOYSA-N -1 1 402.516 4.084 20 0 HIADMM CCOc1cc(-c2noc(-c3noc4c3C[C@@H](C)CC4)n2)cc(Br)c1[O-] ZINC000436868627 862045939 /nfs/dbraw/zinc/04/59/39/862045939.db2.gz AVKUBGFNLFMODD-VIFPVBQESA-N -1 1 420.263 4.383 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)CC1 ZINC000053793538 849758234 /nfs/dbraw/zinc/75/82/34/849758234.db2.gz WTLBYYOKITXESQ-UHFFFAOYSA-N -1 1 416.477 4.101 20 0 HIADMM [O-]c1ccc(-c2noc([C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)c(F)c1 ZINC000436876575 862053811 /nfs/dbraw/zinc/05/38/11/862053811.db2.gz ACSVZABKNMXWSC-QGZVFWFLSA-N -1 1 424.259 4.310 20 0 HIADMM CSC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436876332 862054539 /nfs/dbraw/zinc/05/45/39/862054539.db2.gz YHIXASPXPRMOGY-SNVBAGLBSA-N -1 1 413.326 4.433 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc4cc[nH]c4n3)n2)cc(Br)c1[O-] ZINC000436878047 862054677 /nfs/dbraw/zinc/05/46/77/862054677.db2.gz QWWANVXMOHGAEY-UHFFFAOYSA-N -1 1 401.220 4.147 20 0 HIADMM Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([O-])cc3F)ccc2C)c1 ZINC000436877579 862054771 /nfs/dbraw/zinc/05/47/71/862054771.db2.gz AVGPCNZAJMFJFN-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM COc1ccc(F)cc1[C@H](C)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000054010662 849798086 /nfs/dbraw/zinc/79/80/86/849798086.db2.gz NRGSPENZLBQYEE-AWEZNQCLSA-N -1 1 414.506 4.331 20 0 HIADMM CCCCOc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(OC)cc2)c1 ZINC000054165607 849818554 /nfs/dbraw/zinc/81/85/54/849818554.db2.gz VPFODXSDQNUEMZ-UHFFFAOYSA-N -1 1 412.515 4.434 20 0 HIADMM CCOc1cc(-c2noc(/C=C\c3ccc(OC)cn3)n2)cc(Br)c1[O-] ZINC000436892128 862067998 /nfs/dbraw/zinc/06/79/98/862067998.db2.gz KOROVAOAAKFGDS-ALCCZGGFSA-N -1 1 418.247 4.177 20 0 HIADMM Cc1ccccc1-c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000436890895 862068371 /nfs/dbraw/zinc/06/83/71/862068371.db2.gz GOOAOLCHFATQMU-UHFFFAOYSA-N -1 1 413.480 4.280 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(-c3ccsc3)no2)c(O)c1)c1cccs1 ZINC000436895121 862071340 /nfs/dbraw/zinc/07/13/40/862071340.db2.gz VPTYDMIJXBVTKV-UHFFFAOYSA-N -1 1 405.482 4.033 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])o1 ZINC000055106451 849972252 /nfs/dbraw/zinc/97/22/52/849972252.db2.gz PLTPSRBWPKTJJH-UHFFFAOYSA-N -1 1 400.381 4.096 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCc2c(Br)cccc2C1 ZINC000436903129 862079598 /nfs/dbraw/zinc/07/95/98/862079598.db2.gz HGIFQDLTZWHXMS-UHFFFAOYSA-N -1 1 411.093 4.116 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCC1=O ZINC000436908341 862084721 /nfs/dbraw/zinc/08/47/21/862084721.db2.gz IFPZQJGOQBUSQL-NSHDSACASA-N -1 1 421.280 4.002 20 0 HIADMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)ccc2o1 ZINC000055586247 850064301 /nfs/dbraw/zinc/06/43/01/850064301.db2.gz AMJOYPWPUSRDEW-UHFFFAOYSA-N -1 1 413.499 4.201 20 0 HIADMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1F ZINC000055592810 850068047 /nfs/dbraw/zinc/06/80/47/850068047.db2.gz SYJWRXBTRBBOIE-UHFFFAOYSA-N -1 1 408.838 4.434 20 0 HIADMM CCOc1cc(-c2noc(/C=C/c3ncccc3C)n2)cc(Br)c1[O-] ZINC000436909236 862087830 /nfs/dbraw/zinc/08/78/30/862087830.db2.gz LTCPYXJMYWXYHB-VOTSOKGWSA-N -1 1 402.248 4.477 20 0 HIADMM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000055615616 850079278 /nfs/dbraw/zinc/07/92/78/850079278.db2.gz OUPDBTNQZRDUFR-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(CCCc1ncc(-c2ccccc2)o1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436912497 862089590 /nfs/dbraw/zinc/08/95/90/862089590.db2.gz DDILAJXZWNXCOJ-UHFFFAOYSA-N -1 1 423.860 4.447 20 0 HIADMM O=C(CCCc1ncc(-c2ccccc2)o1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436912497 862089604 /nfs/dbraw/zinc/08/96/04/862089604.db2.gz DDILAJXZWNXCOJ-UHFFFAOYSA-N -1 1 423.860 4.447 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000055633283 850085490 /nfs/dbraw/zinc/08/54/90/850085490.db2.gz LFUJSERUXVQRQY-UHFFFAOYSA-N -1 1 403.422 4.059 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 ZINC000055633955 850085626 /nfs/dbraw/zinc/08/56/26/850085626.db2.gz SRWKXXOKOZJQCI-UHFFFAOYSA-N -1 1 412.486 4.425 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)cc1 ZINC000055639236 850086481 /nfs/dbraw/zinc/08/64/81/850086481.db2.gz DOPZKRONZWNLAA-UHFFFAOYSA-N -1 1 416.543 4.257 20 0 HIADMM CSc1cccc([C@H](NC(=O)C(=O)c2ccc([O-])cc2)c2cc(F)ccc2F)c1 ZINC000436915921 862095251 /nfs/dbraw/zinc/09/52/51/862095251.db2.gz TZJBOUUMALQPTM-FQEVSTJZSA-N -1 1 413.445 4.481 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1csc(Cc2ccccc2)n1 ZINC000436916430 862096214 /nfs/dbraw/zinc/09/62/14/862096214.db2.gz UBZGQRTVNZNJSM-UHFFFAOYSA-N -1 1 411.874 4.130 20 0 HIADMM CC(C)n1cc(Br)cc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436917241 862098189 /nfs/dbraw/zinc/09/81/89/862098189.db2.gz WSQNMAFRGLWSCW-UHFFFAOYSA-N -1 1 424.686 4.228 20 0 HIADMM CC(C)n1cc(Br)cc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436917241 862098202 /nfs/dbraw/zinc/09/82/02/862098202.db2.gz WSQNMAFRGLWSCW-UHFFFAOYSA-N -1 1 424.686 4.228 20 0 HIADMM Cc1cc(Br)ccc1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436920377 862099952 /nfs/dbraw/zinc/09/99/52/862099952.db2.gz RHOXMEDYFFMFNK-UHFFFAOYSA-N -1 1 421.682 4.083 20 0 HIADMM Cc1cc(Br)ccc1CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436920377 862099969 /nfs/dbraw/zinc/09/99/69/862099969.db2.gz RHOXMEDYFFMFNK-UHFFFAOYSA-N -1 1 421.682 4.083 20 0 HIADMM COc1ccccc1C[C@@H](C)CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436919463 862100945 /nfs/dbraw/zinc/10/09/45/862100945.db2.gz NTTIADJPSHXKLD-GFCCVEGCSA-N -1 1 400.866 4.047 20 0 HIADMM COc1ccccc1C[C@@H](C)CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436919463 862100952 /nfs/dbraw/zinc/10/09/52/862100952.db2.gz NTTIADJPSHXKLD-GFCCVEGCSA-N -1 1 400.866 4.047 20 0 HIADMM CCOc1cc(Cc2noc(-c3ccc(OC)cc3[O-])n2)ccc1OCC(F)(F)F ZINC000436918998 862101105 /nfs/dbraw/zinc/10/11/05/862101105.db2.gz JXGQWCBVKIFNFZ-UHFFFAOYSA-N -1 1 424.375 4.381 20 0 HIADMM [O-]c1ccc(F)cc1-c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000436922267 862103835 /nfs/dbraw/zinc/10/38/35/862103835.db2.gz XIHVHBAVQRHSQU-UHFFFAOYSA-N -1 1 421.222 4.096 20 0 HIADMM CCN(CC)c1nc2sc(C(=O)[N-]c3nnc(-c4ccccn4)s3)cc2s1 ZINC000056134587 850250325 /nfs/dbraw/zinc/25/03/25/850250325.db2.gz NGTHDHMMQHVAGB-UHFFFAOYSA-N -1 1 416.557 4.370 20 0 HIADMM COc1c(Cl)cccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000056287363 850313999 /nfs/dbraw/zinc/31/39/99/850313999.db2.gz GXEUNZZTGYVLGU-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM C[C@@H]1C[C@@H](c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)CCO1 ZINC000436950158 862127657 /nfs/dbraw/zinc/12/76/57/862127657.db2.gz ODLVUDXRYVCFNT-NEPJUHHUSA-N -1 1 415.396 4.255 20 0 HIADMM C[C@H]1C[C@@H](c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)CCO1 ZINC000436950164 862127724 /nfs/dbraw/zinc/12/77/24/862127724.db2.gz ODLVUDXRYVCFNT-RYUDHWBXSA-N -1 1 415.396 4.255 20 0 HIADMM CC[C@@H](C)Oc1ccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436954276 862134108 /nfs/dbraw/zinc/13/41/08/862134108.db2.gz UZHRNCKCLPBITJ-CYBMUJFWSA-N -1 1 409.442 4.371 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC)c2)c2ccccc12 ZINC000057119238 850552111 /nfs/dbraw/zinc/55/21/11/850552111.db2.gz VWZQGZBWYJDXHN-UHFFFAOYSA-N -1 1 418.902 4.052 20 0 HIADMM CCSCc1cccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436961869 862143191 /nfs/dbraw/zinc/14/31/91/862143191.db2.gz AQTNNAVLBZVTCR-UHFFFAOYSA-N -1 1 411.483 4.446 20 0 HIADMM CCc1ccccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436969994 862148185 /nfs/dbraw/zinc/14/81/85/862148185.db2.gz BYLSVMPEOFEYGZ-JOCHJYFZSA-N -1 1 402.494 4.029 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(F)F)c(F)c2)c1 ZINC000057391673 850627561 /nfs/dbraw/zinc/62/75/61/850627561.db2.gz UFJVMLSSAMSFHI-UHFFFAOYSA-N -1 1 408.405 4.295 20 0 HIADMM O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)C(=O)c1ccc([O-])cc1 ZINC000436977741 862157446 /nfs/dbraw/zinc/15/74/46/862157446.db2.gz FMJOSLCMBRGSAY-UHFFFAOYSA-N -1 1 402.328 4.420 20 0 HIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c1 ZINC000057498238 850652465 /nfs/dbraw/zinc/65/24/65/850652465.db2.gz FMCYAADWVBWMHU-UHFFFAOYSA-N -1 1 407.495 4.399 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC(C)(C)C)c2)cc1 ZINC000057880910 850736722 /nfs/dbraw/zinc/73/67/22/850736722.db2.gz VUZYBHVWMJNBKL-UHFFFAOYSA-N -1 1 410.923 4.068 20 0 HIADMM Cc1ccc(C[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436983232 862162661 /nfs/dbraw/zinc/16/26/61/862162661.db2.gz WCUCDCONNHCRJA-QVKFZJNVSA-N -1 1 422.550 4.267 20 0 HIADMM Cn1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c2ccccc21 ZINC000058142713 850773103 /nfs/dbraw/zinc/77/31/03/850773103.db2.gz RHDVZZFGWMGGEE-UHFFFAOYSA-N -1 1 405.479 4.231 20 0 HIADMM COc1ccc(OC)c([C@H]2CCCN2Cn2c(=S)[n-]nc2Cc2cccs2)c1 ZINC000058205115 850781105 /nfs/dbraw/zinc/78/11/05/850781105.db2.gz JLAKZWBRPKLHSL-QGZVFWFLSA-N -1 1 416.572 4.405 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(=O)[n-]1 ZINC000058481373 850836463 /nfs/dbraw/zinc/83/64/63/850836463.db2.gz ODHFXOKWQZAJTN-UHFFFAOYSA-N -1 1 420.947 4.148 20 0 HIADMM CCOC(=O)N=c1[nH]c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2s1 ZINC000058495715 850840257 /nfs/dbraw/zinc/84/02/57/850840257.db2.gz FLGONYKJKLKEKE-UHFFFAOYSA-N -1 1 405.501 4.282 20 0 HIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)cc1 ZINC000058564655 850857494 /nfs/dbraw/zinc/85/74/94/850857494.db2.gz CREFGDKLBIARBC-UHFFFAOYSA-N -1 1 410.543 4.425 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccccc1SC1CCCC1 ZINC000059849783 851017468 /nfs/dbraw/zinc/01/74/68/851017468.db2.gz OUCDYQWEIDOOAJ-UHFFFAOYSA-N -1 1 420.538 4.356 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)c1 ZINC000060166617 851048424 /nfs/dbraw/zinc/04/84/24/851048424.db2.gz NZHSDVHZSKHQSO-UHFFFAOYSA-N -1 1 417.512 4.091 20 0 HIADMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1Br ZINC000060211018 851051582 /nfs/dbraw/zinc/05/15/82/851051582.db2.gz XKKNRHQLXTUOHK-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000060401407 851088004 /nfs/dbraw/zinc/08/80/04/851088004.db2.gz BNOCKGSNYDQXMW-SFTDATJTSA-N -1 1 410.470 4.369 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCCc2ccccc2)cc1 ZINC000060673454 851185933 /nfs/dbraw/zinc/18/59/33/851185933.db2.gz VBEUVODMIWPTKH-UHFFFAOYSA-N -1 1 424.570 4.488 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 ZINC000061428723 851373355 /nfs/dbraw/zinc/37/33/55/851373355.db2.gz AKRZKXBUHYZXMT-UHFFFAOYSA-N -1 1 407.499 4.214 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000062294134 851526068 /nfs/dbraw/zinc/52/60/68/851526068.db2.gz NJRMWAVCSCFONT-GFCCVEGCSA-N -1 1 417.405 4.265 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)ccc1F ZINC000062300358 851527328 /nfs/dbraw/zinc/52/73/28/851527328.db2.gz UVWVWMCOBXMCFT-IRLDBZIGSA-N -1 1 424.497 4.221 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1c(Cl)ccc2cccnc21 ZINC000062482262 851561812 /nfs/dbraw/zinc/56/18/12/851561812.db2.gz IURPVZINSICUEB-UHFFFAOYSA-N -1 1 418.902 4.397 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)c(Cl)c2)cc1 ZINC000063179489 851628718 /nfs/dbraw/zinc/62/87/18/851628718.db2.gz OMMZPTAPBVTLJH-UHFFFAOYSA-N -1 1 410.923 4.069 20 0 HIADMM C[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CC1 ZINC000063273912 851647793 /nfs/dbraw/zinc/64/77/93/851647793.db2.gz FGWPSZRUBNXBCH-AWEZNQCLSA-N -1 1 408.470 4.028 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C)CC3)c2)cc1 ZINC000063275316 851648660 /nfs/dbraw/zinc/64/86/60/851648660.db2.gz CYYIRRFNCKWBGR-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000063455491 851693181 /nfs/dbraw/zinc/69/31/81/851693181.db2.gz CRLGETWKTYKUTI-UHFFFAOYSA-N -1 1 401.532 4.081 20 0 HIADMM CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)CCS1 ZINC000437078454 862272565 /nfs/dbraw/zinc/27/25/65/862272565.db2.gz BJCULXYYFBCBTD-SFHVURJKSA-N -1 1 418.584 4.072 20 0 HIADMM CCCN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000063678928 851739939 /nfs/dbraw/zinc/73/99/39/851739939.db2.gz YNXAYQRFVXLYJW-UHFFFAOYSA-N -1 1 415.342 4.205 20 0 HIADMM COc1ccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)cc1Cc1ccccc1 ZINC000063692831 851741994 /nfs/dbraw/zinc/74/19/94/851741994.db2.gz DFVZXXQJYJRBQL-UHFFFAOYSA-N -1 1 424.522 4.218 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]3C(C)C)cc2)cc1 ZINC000063814766 851770623 /nfs/dbraw/zinc/77/06/23/851770623.db2.gz IFHNGKLDLRBUTN-OAQYLSRUSA-N -1 1 416.543 4.147 20 0 HIADMM CC(C)COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877737 851782912 /nfs/dbraw/zinc/78/29/12/851782912.db2.gz PJFMNWMNZWXQSR-UHFFFAOYSA-N -1 1 401.843 4.013 20 0 HIADMM CCCCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877865 851783927 /nfs/dbraw/zinc/78/39/27/851783927.db2.gz KILMXFMLTSKIKV-UHFFFAOYSA-N -1 1 401.843 4.157 20 0 HIADMM CC(C)Cc1csc2nc(-c3cccc(CN4C(=O)CSC4=O)c3)[n-]c(=O)c12 ZINC000063919760 851794635 /nfs/dbraw/zinc/79/46/35/851794635.db2.gz NNHGVYWQZKIWQC-UHFFFAOYSA-N -1 1 413.524 4.046 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCSCC3)c2)cc1 ZINC000064478628 851909258 /nfs/dbraw/zinc/90/92/58/851909258.db2.gz FBGITDQRGWXNIU-INIZCTEOSA-N -1 1 418.584 4.190 20 0 HIADMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064906090 852017836 /nfs/dbraw/zinc/01/78/36/852017836.db2.gz YCOWMTINRIPUTC-UHFFFAOYSA-N -1 1 406.326 4.157 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064937892 852026123 /nfs/dbraw/zinc/02/61/23/852026123.db2.gz REYABXRVTASEBP-UHFFFAOYSA-N -1 1 407.435 4.125 20 0 HIADMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937933 852026186 /nfs/dbraw/zinc/02/61/86/852026186.db2.gz APATWWJFFDSKBS-UHFFFAOYSA-N -1 1 418.462 4.157 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(SC(F)(F)F)cc3)c2)no1 ZINC000064938080 852026363 /nfs/dbraw/zinc/02/63/63/852026363.db2.gz OSIGHESLJHSFBE-UHFFFAOYSA-N -1 1 415.418 4.458 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccc(F)cc1 ZINC000065160451 852080745 /nfs/dbraw/zinc/08/07/45/852080745.db2.gz IOLAGISAJCZPFM-UHFFFAOYSA-N -1 1 420.412 4.181 20 0 HIADMM Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)c1 ZINC000065613507 852198253 /nfs/dbraw/zinc/19/82/53/852198253.db2.gz VEHTZISUEIZFQJ-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM CC[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)CCS1 ZINC000437146321 862338814 /nfs/dbraw/zinc/33/88/14/862338814.db2.gz YEHCJEFAKSEBRW-IBGZPJMESA-N -1 1 418.584 4.072 20 0 HIADMM Cn1cc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c2ccccc21 ZINC000065867044 852291764 /nfs/dbraw/zinc/29/17/64/852291764.db2.gz HBQHPKBYLRJZIT-UHFFFAOYSA-N -1 1 419.506 4.160 20 0 HIADMM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[N-]NC(=O)NC1CCCC1 ZINC000065920084 852316123 /nfs/dbraw/zinc/31/61/23/852316123.db2.gz WNHRCAVYRHXWJI-UHFFFAOYSA-N -1 1 412.437 4.024 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)c2)cc1 ZINC000065925018 852317481 /nfs/dbraw/zinc/31/74/81/852317481.db2.gz CAIAKIRRAUBWSG-JREAUHRESA-N -1 1 424.566 4.447 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000068969103 852378524 /nfs/dbraw/zinc/37/85/24/852378524.db2.gz RLPNFBRTTOVKFT-HZUJVAHNSA-N -1 1 400.544 4.350 20 0 HIADMM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1cc(Cl)sc1Cl ZINC000069603541 852398987 /nfs/dbraw/zinc/39/89/87/852398987.db2.gz QBXLINPPEXRHLJ-NSHDSACASA-N -1 1 409.360 4.153 20 0 HIADMM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000072077474 852498093 /nfs/dbraw/zinc/49/80/93/852498093.db2.gz ODFUPZNERFHKAO-KRWDZBQOSA-N -1 1 417.509 4.293 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2)cc1 ZINC000072115520 852511619 /nfs/dbraw/zinc/51/16/19/852511619.db2.gz ROYIKWWOYNJTBT-GCKMJXCFSA-N -1 1 416.543 4.051 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCc3ccccc32)cc1 ZINC000097039400 852575916 /nfs/dbraw/zinc/57/59/16/852575916.db2.gz CSIQLMVETGULDA-UHFFFAOYSA-N -1 1 408.527 4.376 20 0 HIADMM Cc1cc(C)nc(Sc2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cc2)n1 ZINC000097091388 852582605 /nfs/dbraw/zinc/58/26/05/852582605.db2.gz ZFKITKKCYZUEKI-UHFFFAOYSA-N -1 1 423.542 4.186 20 0 HIADMM COc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1Cc1ccccc1 ZINC000097100301 852582647 /nfs/dbraw/zinc/58/26/47/852582647.db2.gz HBGRWXIETZDRTI-UHFFFAOYSA-N -1 1 405.498 4.228 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000097091392 852582712 /nfs/dbraw/zinc/58/27/12/852582712.db2.gz VLYVIXDOPWRWNH-UHFFFAOYSA-N -1 1 419.485 4.272 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000097091393 852583139 /nfs/dbraw/zinc/58/31/39/852583139.db2.gz BQCUBXRLMPJKIR-UHFFFAOYSA-N -1 1 419.485 4.272 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C(C)C)[nH]n3)c2)c1 ZINC000097544876 852625156 /nfs/dbraw/zinc/62/51/56/852625156.db2.gz NFVUOKNQEWFZNG-UHFFFAOYSA-N -1 1 412.515 4.203 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cnccc3C)c2)c1 ZINC000097551848 852629528 /nfs/dbraw/zinc/62/95/28/852629528.db2.gz KEQNDJOYPVOFHF-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CCn1c(CCNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)n[n-]c1=S ZINC000097552841 852630484 /nfs/dbraw/zinc/63/04/84/852630484.db2.gz BELUXJOJHUHGQO-UHFFFAOYSA-N -1 1 417.538 4.457 20 0 HIADMM Cn1c([C@@H]2CCCN(C(=O)C(C)(C)c3cccc(C(F)(F)F)c3)C2)n[n-]c1=S ZINC000097570031 852631159 /nfs/dbraw/zinc/63/11/59/852631159.db2.gz APVVHMZSAOICNX-GFCCVEGCSA-N -1 1 412.481 4.180 20 0 HIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 ZINC000097555299 852631519 /nfs/dbraw/zinc/63/15/19/852631519.db2.gz KEOJJKBIZITWPD-UHFFFAOYSA-N -1 1 413.572 4.028 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000105048508 852689979 /nfs/dbraw/zinc/68/99/79/852689979.db2.gz OPHQJZWOCXSXIA-IBGZPJMESA-N -1 1 420.542 4.306 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc(-c3ccccc3)ns2)cc1 ZINC000108051548 852820012 /nfs/dbraw/zinc/82/00/12/852820012.db2.gz LGYMDOWTFMJYKU-UHFFFAOYSA-N -1 1 408.512 4.073 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](C(C)C)C2)cc1 ZINC000437207646 862397129 /nfs/dbraw/zinc/39/71/29/862397129.db2.gz IXCYKPWLCHQCQE-HXUWFJFHSA-N -1 1 418.584 4.009 20 0 HIADMM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000108150681 852825707 /nfs/dbraw/zinc/82/57/07/852825707.db2.gz KMNIEHPAIJZYIG-UHFFFAOYSA-N -1 1 424.241 4.168 20 0 HIADMM COc1ccc(C)cc1C1(CNC(=O)c2cc3ccccc3cc2[O-])CCOCC1 ZINC000108953452 852898468 /nfs/dbraw/zinc/89/84/68/852898468.db2.gz VFBLYSAPKUXLQU-UHFFFAOYSA-N -1 1 405.494 4.341 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)cc1 ZINC000109126430 852924870 /nfs/dbraw/zinc/92/48/70/852924870.db2.gz HXWAPZMSCBLRAW-UHFFFAOYSA-N -1 1 424.526 4.136 20 0 HIADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000109216023 852937792 /nfs/dbraw/zinc/93/77/92/852937792.db2.gz QZVFUECTRXQYPV-INIZCTEOSA-N -1 1 412.486 4.444 20 0 HIADMM Cc1nc(COC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)oc1C ZINC000109440139 852971011 /nfs/dbraw/zinc/97/10/11/852971011.db2.gz KRFNDLVHJUKYCD-UHFFFAOYSA-N -1 1 414.483 4.066 20 0 HIADMM Cc1nc(C(=O)[N-]c2nnc(-c3ccccc3)s2)nn1-c1ccccc1C(C)C ZINC000109879641 853027869 /nfs/dbraw/zinc/02/78/69/853027869.db2.gz AFSCPQJKKOXUHG-UHFFFAOYSA-N -1 1 404.499 4.470 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccncc2)c1 ZINC000110019572 853048464 /nfs/dbraw/zinc/04/84/64/853048464.db2.gz TXFSLDDKTHVOCY-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CC(=O)Nc1ccc(C)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000110691065 853138733 /nfs/dbraw/zinc/13/87/33/853138733.db2.gz FKHXGRMAFJGKGU-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM O=c1nc(CN2CC[C@@H](Nc3ccccc3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000110991565 853182000 /nfs/dbraw/zinc/18/20/00/853182000.db2.gz MXXULHUMYSJDDW-GOSISDBHSA-N -1 1 420.513 4.477 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc4[nH]c([C@H]5CCCO5)nc4c3)cc2)co1 ZINC000112639977 853235995 /nfs/dbraw/zinc/23/59/95/853235995.db2.gz KUXJOWVLADPOMC-HXUWFJFHSA-N -1 1 424.482 4.179 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000115656232 853256727 /nfs/dbraw/zinc/25/67/27/853256727.db2.gz RZWXTPYNECOYGV-OAHLLOKOSA-N -1 1 422.916 4.088 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000116573040 853317069 /nfs/dbraw/zinc/31/70/69/853317069.db2.gz GMVRICCDQYGTKE-OAQYLSRUSA-N -1 1 418.541 4.367 20 0 HIADMM O=C(NCCc1ccc(Cl)s1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000117457258 853357762 /nfs/dbraw/zinc/35/77/62/853357762.db2.gz CWXHGPKPXPTWRJ-UHFFFAOYSA-N -1 1 420.943 4.175 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@@H]2C2CCCCC2)cc1 ZINC000117671165 853364872 /nfs/dbraw/zinc/36/48/72/853364872.db2.gz WUHBKZDRONIORM-GOSISDBHSA-N -1 1 400.548 4.188 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@H]2C2CCCCC2)cc1 ZINC000117671168 853364898 /nfs/dbraw/zinc/36/48/98/853364898.db2.gz WUHBKZDRONIORM-SFHVURJKSA-N -1 1 400.548 4.188 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000139693357 853419012 /nfs/dbraw/zinc/41/90/12/853419012.db2.gz HLANJYQJOREAGZ-UHFFFAOYSA-N -1 1 411.512 4.173 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000142091209 853487173 /nfs/dbraw/zinc/48/71/73/853487173.db2.gz OXLGSNHILOPQTK-IBGZPJMESA-N -1 1 408.527 4.376 20 0 HIADMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(-c2ccc(C)cc2C)s1 ZINC000147128500 853582678 /nfs/dbraw/zinc/58/26/78/853582678.db2.gz OADZOTLDKXIIMT-INIZCTEOSA-N -1 1 405.479 4.397 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000195561509 853684772 /nfs/dbraw/zinc/68/47/72/853684772.db2.gz JOZQEOAWHFEBGG-SSDOTTSWSA-N -1 1 411.213 4.219 20 0 HIADMM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(Br)ccc1[O-] ZINC000195697686 853765368 /nfs/dbraw/zinc/76/53/68/853765368.db2.gz KBYCNRHKSVGPPH-UHFFFAOYSA-N -1 1 400.232 4.298 20 0 HIADMM Cc1cccc2c1CCN2C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000195735312 853785779 /nfs/dbraw/zinc/78/57/79/853785779.db2.gz MZLIWILJBUPJQR-UHFFFAOYSA-N -1 1 424.497 4.446 20 0 HIADMM O=S(=O)([N-][C@H](c1cccs1)c1ccc(F)cc1)c1ccc(F)c(F)c1F ZINC000247291012 854157104 /nfs/dbraw/zinc/15/71/04/854157104.db2.gz AXNPHKLUZKSSAG-KRWDZBQOSA-N -1 1 401.406 4.372 20 0 HIADMM CC(C)[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1nc2ccccc2[nH]1 ZINC000261372648 854237106 /nfs/dbraw/zinc/23/71/06/854237106.db2.gz BUGAKZKNHDKPQV-NRFANRHFSA-N -1 1 420.513 4.270 20 0 HIADMM CC(C)[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1nc2ccccc2[nH]1 ZINC000261372649 854237608 /nfs/dbraw/zinc/23/76/08/854237608.db2.gz BUGAKZKNHDKPQV-OAQYLSRUSA-N -1 1 420.513 4.270 20 0 HIADMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261379468 854240114 /nfs/dbraw/zinc/24/01/14/854240114.db2.gz WCXJPVPUFPSMMC-QPPBQGQZSA-N -1 1 422.525 4.164 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@@H](C)C3)c2)cc1 ZINC000261398812 854247958 /nfs/dbraw/zinc/24/79/58/854247958.db2.gz VAALBEIAENYBDI-CQSZACIVSA-N -1 1 422.934 4.022 20 0 HIADMM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(Br)c([O-])c1 ZINC000437299089 862556133 /nfs/dbraw/zinc/55/61/33/862556133.db2.gz QHVBWWAHGLVZSA-GXTWGEPZSA-N -1 1 411.093 4.203 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccc(OCC(F)(F)F)cc3)nc2)[n-]c(=O)c1C ZINC000301335500 854362483 /nfs/dbraw/zinc/36/24/83/854362483.db2.gz CRAWULGDUWEVKE-UHFFFAOYSA-N -1 1 404.392 4.414 20 0 HIADMM Cc1nc(-c2ccc(NCCc3cc(Br)ccc3F)nc2)[n-]c(=O)c1C ZINC000301347690 854366132 /nfs/dbraw/zinc/36/61/32/854366132.db2.gz HVTHODNKSVUYAP-UHFFFAOYSA-N -1 1 417.282 4.417 20 0 HIADMM Cc1nc(-c2ccc(NC[C@H](O)c3cc(Cl)cc(Cl)c3)nc2)[n-]c(=O)c1C ZINC000301400599 854382252 /nfs/dbraw/zinc/38/22/52/854382252.db2.gz PUAZVKRCIWSUHY-INIZCTEOSA-N -1 1 405.285 4.313 20 0 HIADMM COc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1Br ZINC000301404498 854384341 /nfs/dbraw/zinc/38/43/41/854384341.db2.gz KVXLGHRAWQXPLW-UHFFFAOYSA-N -1 1 415.291 4.244 20 0 HIADMM Cc1cnc([C@@H](C)CNc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)s1 ZINC000302144262 854536589 /nfs/dbraw/zinc/53/65/89/854536589.db2.gz QJWZLZHZSURVEY-NSHDSACASA-N -1 1 424.498 4.141 20 0 HIADMM Cc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c(-n2cc(Cl)cn2)n1 ZINC000302777338 854631506 /nfs/dbraw/zinc/63/15/06/854631506.db2.gz PHVPBEYQVONRFH-UHFFFAOYSA-N -1 1 421.892 4.016 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3c3cccn3C)c2)cc1 ZINC000302811677 854642339 /nfs/dbraw/zinc/64/23/39/854642339.db2.gz OEHWXNJAJKCCRF-QFIPXVFZSA-N -1 1 423.538 4.112 20 0 HIADMM Cc1nc(-c2ccc(N3CCC(O)(c4ccccc4Cl)CC3)nc2)[n-]c(=O)c1C ZINC000302846806 854654572 /nfs/dbraw/zinc/65/45/72/854654572.db2.gz OFSXPCZAFCQGAW-UHFFFAOYSA-N -1 1 410.905 4.002 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCCC3)cc2)cc1 ZINC000302918929 854679288 /nfs/dbraw/zinc/67/92/88/854679288.db2.gz DHZLDIOKRQDJEV-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N(C)Cc2ccc(F)cc2Cl)cc1 ZINC000303272240 854844606 /nfs/dbraw/zinc/84/46/06/854844606.db2.gz GNHONJYPNQHSSK-UHFFFAOYSA-N -1 1 420.897 4.067 20 0 HIADMM Cc1ccc(NC(=O)c2cccnc2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000303276905 854847795 /nfs/dbraw/zinc/84/77/95/854847795.db2.gz JALGUSZZBCFUQD-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1cccc(Br)c1 ZINC000303421492 854923866 /nfs/dbraw/zinc/92/38/66/854923866.db2.gz AQKFMSXETLGVMI-UHFFFAOYSA-N -1 1 405.273 4.437 20 0 HIADMM CCc1nc([C@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cs1 ZINC000303455794 854956381 /nfs/dbraw/zinc/95/63/81/854956381.db2.gz JXPSPYKAUGSELW-ZDUSSCGKSA-N -1 1 401.561 4.203 20 0 HIADMM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cs1 ZINC000437345740 862625093 /nfs/dbraw/zinc/62/50/93/862625093.db2.gz WHZIOTPWJCSPGF-QMMMGPOBSA-N -1 1 414.858 4.001 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)ccn3)cc2)cc1 ZINC000303592958 855066444 /nfs/dbraw/zinc/06/64/44/855066444.db2.gz VPXPAALBEJATSC-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM COc1cc(C)sc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000303664163 855115944 /nfs/dbraw/zinc/11/59/44/855115944.db2.gz VZWHLIABSOLPCF-UHFFFAOYSA-N -1 1 402.497 4.118 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000303690104 855135654 /nfs/dbraw/zinc/13/56/54/855135654.db2.gz MKLKHINWKYLBFO-MRXNPFEDSA-N -1 1 423.991 4.115 20 0 HIADMM O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000303736996 855162167 /nfs/dbraw/zinc/16/21/67/855162167.db2.gz XOMCRRYNVZPIJU-QGZVFWFLSA-N -1 1 401.919 4.337 20 0 HIADMM COC(=O)CCCc1nnc([N-]C(=O)c2csc(-c3ccccc3Cl)n2)s1 ZINC000303746041 855168370 /nfs/dbraw/zinc/16/83/70/855168370.db2.gz AMEFIEAWQISSBV-UHFFFAOYSA-N -1 1 422.919 4.063 20 0 HIADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000303806156 855210246 /nfs/dbraw/zinc/21/02/46/855210246.db2.gz UGZLDAQECRNFBA-ZANVPECISA-N -1 1 424.769 4.219 20 0 HIADMM COc1cc(CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)ccc1C ZINC000303906909 855281409 /nfs/dbraw/zinc/28/14/09/855281409.db2.gz RBYJNKKCWKXEJN-UHFFFAOYSA-N -1 1 407.841 4.197 20 0 HIADMM CCCN(C(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000303928928 855298436 /nfs/dbraw/zinc/29/84/36/855298436.db2.gz WVBMJXLMPLLQOX-MSOLQXFVSA-N -1 1 416.591 4.358 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1c(Cl)nc2ccccn21 ZINC000315889770 855379016 /nfs/dbraw/zinc/37/90/16/855379016.db2.gz PJNOLIVGGAKOJP-UHFFFAOYSA-N -1 1 421.103 4.204 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2C)c1 ZINC000322408390 855392369 /nfs/dbraw/zinc/39/23/69/855392369.db2.gz RHGXCCNKHWNVDO-UHFFFAOYSA-N -1 1 400.269 4.290 20 0 HIADMM O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(I)ccc1[O-] ZINC000323185359 855394436 /nfs/dbraw/zinc/39/44/36/855394436.db2.gz AZYZMPPVXSHNQG-UHFFFAOYSA-N -1 1 422.266 4.239 20 0 HIADMM Cc1cc(Br)c(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323361213 855395293 /nfs/dbraw/zinc/39/52/93/855395293.db2.gz WZWBPPZKRAPIBO-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccc(F)cc1Br ZINC000324665128 855399668 /nfs/dbraw/zinc/39/96/68/855399668.db2.gz IHBCNYMLBNCOER-UHFFFAOYSA-N -1 1 413.312 4.379 20 0 HIADMM CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000324909203 855400420 /nfs/dbraw/zinc/40/04/20/855400420.db2.gz FOBPLMVQGPRMIO-OLZOCXBDSA-N -1 1 419.341 4.241 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)c([O-])c1 ZINC000326316658 855408742 /nfs/dbraw/zinc/40/87/42/855408742.db2.gz LLHWQQRZVOTANN-UHFFFAOYSA-N -1 1 406.154 4.314 20 0 HIADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(I)ccc1[O-] ZINC000385811783 855441358 /nfs/dbraw/zinc/44/13/58/855441358.db2.gz UZSDQTKRDFPMSE-ZDUSSCGKSA-N -1 1 421.278 4.438 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cc1C ZINC000391656389 855460970 /nfs/dbraw/zinc/46/09/70/855460970.db2.gz ZMEAASWCAPIEPA-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM C[C@H](CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000410204199 855861830 /nfs/dbraw/zinc/86/18/30/855861830.db2.gz CVEGVWBRYWEVQX-GOSISDBHSA-N -1 1 408.523 4.411 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000410330385 855932316 /nfs/dbraw/zinc/93/23/16/855932316.db2.gz XTTUQXAALDXSBC-UHFFFAOYSA-N -1 1 407.495 4.284 20 0 HIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000410412292 855982750 /nfs/dbraw/zinc/98/27/50/855982750.db2.gz AWWKDJILVMBUHM-UHFFFAOYSA-N -1 1 413.396 4.354 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1)C1CCCCC1 ZINC000425991300 856034735 /nfs/dbraw/zinc/03/47/35/856034735.db2.gz UEZAEKCBQXQCPX-UHFFFAOYSA-N -1 1 412.433 4.424 20 0 HIADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)n1 ZINC000426272971 856213291 /nfs/dbraw/zinc/21/32/91/856213291.db2.gz BVZZZMJKJSEFSG-UHFFFAOYSA-N -1 1 408.314 4.601 20 0 HIADMM Cc1nc(CCNCc2csc(COc3ccc(Cl)cc3)n2)sc1C(=O)[O-] ZINC000426669820 856404925 /nfs/dbraw/zinc/40/49/25/856404925.db2.gz ANZLUYLVJQDAEZ-UHFFFAOYSA-N -1 1 423.947 4.171 20 0 HIADMM Cc1ccc(-c2ccc(CN[C@@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])o2)cc1 ZINC000426724152 856435687 /nfs/dbraw/zinc/43/56/87/856435687.db2.gz PWXXLFNNZUBMMO-FQEVSTJZSA-N -1 1 407.466 4.202 20 0 HIADMM O=C([O-])[C@H](NCc1cc(Br)cc2c1OCC2)c1ccc(Cl)c(F)c1 ZINC000426726417 856436989 /nfs/dbraw/zinc/43/69/89/856436989.db2.gz JMLLPGUQOWJZNZ-OAHLLOKOSA-N -1 1 414.658 4.092 20 0 HIADMM COc1cc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000426752691 856456145 /nfs/dbraw/zinc/45/61/45/856456145.db2.gz BCVFLOUBIIDMCB-HNNXBMFYSA-N -1 1 414.285 4.325 20 0 HIADMM O=C([O-])[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000426763153 856464708 /nfs/dbraw/zinc/46/47/08/856464708.db2.gz QLDYZCFJHDYAPS-OAHLLOKOSA-N -1 1 409.738 4.475 20 0 HIADMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@H](NCc1ccc(F)c(F)c1)C(=O)[O-] ZINC000426797679 856484627 /nfs/dbraw/zinc/48/46/27/856484627.db2.gz GDJJWLTVQPBEAW-IBGZPJMESA-N -1 1 405.832 4.336 20 0 HIADMM COc1cccc(C[C@H](NCc2ccc(-c3nc4ccccc4s3)o2)C(=O)[O-])c1 ZINC000426802588 856486741 /nfs/dbraw/zinc/48/67/41/856486741.db2.gz WQLCVFNSMBLSFM-SFHVURJKSA-N -1 1 408.479 4.350 20 0 HIADMM O=C([O-])[C@H](NCc1ccc(Br)cc1F)c1ccc(Br)cc1 ZINC000426817160 856495102 /nfs/dbraw/zinc/49/51/02/856495102.db2.gz NNNMCRDDHKDRMP-CQSZACIVSA-N -1 1 417.072 4.266 20 0 HIADMM Cn1c(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)nc2cc(Cl)ccc21 ZINC000426825535 856499984 /nfs/dbraw/zinc/49/99/84/856499984.db2.gz AWEVNYIIGZTVJV-CQSZACIVSA-N -1 1 422.710 4.295 20 0 HIADMM CCn1nc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)c2ccccc21 ZINC000426827790 856502056 /nfs/dbraw/zinc/50/20/56/856502056.db2.gz SVRUVTJLNWLFHG-INIZCTEOSA-N -1 1 402.292 4.124 20 0 HIADMM COc1ccc2nc(CN[C@@H](CC(=O)[O-])c3cccc(Br)c3)sc2c1 ZINC000426837622 856506179 /nfs/dbraw/zinc/50/61/79/856506179.db2.gz XWDCVWTTXFELSH-HNNXBMFYSA-N -1 1 421.316 4.373 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC(F)F)C(C)C)cc2)cc1C ZINC000427226343 856723649 /nfs/dbraw/zinc/72/36/49/856723649.db2.gz SBRVJVOFPZJEIY-UHFFFAOYSA-N -1 1 410.486 4.220 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cccc1-c1ncco1 ZINC000427301536 856759390 /nfs/dbraw/zinc/75/93/90/856759390.db2.gz JXWUEKXAUFFRQY-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ncc(C)cc1[O-])CCO2 ZINC000427514530 856846504 /nfs/dbraw/zinc/84/65/04/856846504.db2.gz OHLYHAOTTYCYAS-HXUWFJFHSA-N -1 1 404.466 4.270 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C)C(F)(F)C3)cc2)c1C ZINC000427554536 856863864 /nfs/dbraw/zinc/86/38/64/856863864.db2.gz SCPPGWJOMZPFAA-OAHLLOKOSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000427611774 856887423 /nfs/dbraw/zinc/88/74/23/856887423.db2.gz IMDPAPKFKFFGJF-UHFFFAOYSA-N -1 1 419.407 4.245 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437489516 862847596 /nfs/dbraw/zinc/84/75/96/862847596.db2.gz ZXMFLIASSZSTJR-CTYIDZIISA-N -1 1 407.436 4.483 20 0 HIADMM Cc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1OC(C)C ZINC000427641050 856894770 /nfs/dbraw/zinc/89/47/70/856894770.db2.gz DACLMFVDAOEAKN-UHFFFAOYSA-N -1 1 406.486 4.220 20 0 HIADMM COc1cc(C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc(Cl)c1[O-] ZINC000428028311 857047726 /nfs/dbraw/zinc/04/77/26/857047726.db2.gz RXQNHGKAELTRBR-UHFFFAOYSA-N -1 1 402.809 4.311 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nc4cc(F)ccc4[nH]3)c2)c1 ZINC000428050794 857055973 /nfs/dbraw/zinc/05/59/73/857055973.db2.gz TYHZFOFTCXVOCV-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000428103366 857073110 /nfs/dbraw/zinc/07/31/10/857073110.db2.gz YMOOMDNNAILRNF-BCDXTJNWSA-N -1 1 424.444 4.035 20 0 HIADMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)C2)cc1 ZINC000428317853 857150171 /nfs/dbraw/zinc/15/01/71/857150171.db2.gz DQJNKQSCHVMGLJ-DYESRHJHSA-N -1 1 416.525 4.198 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)C1(C)CCCC1 ZINC000428666907 857293262 /nfs/dbraw/zinc/29/32/62/857293262.db2.gz SQQCUDPLFCTOMA-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ncc(F)cc3F)ccc2C)c1 ZINC000429446080 857674842 /nfs/dbraw/zinc/67/48/42/857674842.db2.gz CLZJCKCQUBTUNS-UHFFFAOYSA-N -1 1 417.437 4.030 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)c2)c1 ZINC000430469670 858182400 /nfs/dbraw/zinc/18/24/00/858182400.db2.gz DUCUHBWDZCHCED-FOIQADDNSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H]3CC[C@H](C)C3)c2)c1 ZINC000430469673 858182643 /nfs/dbraw/zinc/18/26/43/858182643.db2.gz DUCUHBWDZCHCED-YWZLYKJASA-N -1 1 400.544 4.365 20 0 HIADMM CCc1onc(C)c1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430574207 858224050 /nfs/dbraw/zinc/22/40/50/858224050.db2.gz NMBDTMKHVMUMCV-UHFFFAOYSA-N -1 1 410.655 4.055 20 0 HIADMM CCOc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)cc1C(=O)[O-] ZINC000437665538 863007229 /nfs/dbraw/zinc/00/72/29/863007229.db2.gz HLACJGWFMMYKOQ-UHFFFAOYSA-N -1 1 418.496 4.016 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(NC(N)=O)c3)cc2s1 ZINC000431177483 858488405 /nfs/dbraw/zinc/48/84/05/858488405.db2.gz GPPNHGDXVANZOE-UHFFFAOYSA-N -1 1 422.507 4.024 20 0 HIADMM COCCC1(C(=O)Nc2cc([O-])c(Br)cc2Br)CCC1 ZINC000431448102 858620977 /nfs/dbraw/zinc/62/09/77/858620977.db2.gz XHEKKSUUYQINDZ-UHFFFAOYSA-N -1 1 407.102 4.063 20 0 HIADMM COCc1cccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC000431448940 858621785 /nfs/dbraw/zinc/62/17/85/858621785.db2.gz NCGLHGVHXUIDLX-UHFFFAOYSA-N -1 1 415.081 4.316 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1cc(F)ccc1F ZINC000431459345 858626975 /nfs/dbraw/zinc/62/69/75/858626975.db2.gz NWFTWNFDEDPAEC-UHFFFAOYSA-N -1 1 407.008 4.448 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c[nH]c(C(F)(F)F)c1 ZINC000432004023 858918839 /nfs/dbraw/zinc/91/88/39/858918839.db2.gz WMIMLEHHWBCESO-UHFFFAOYSA-N -1 1 409.389 4.087 20 0 HIADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(Cl)c(Br)c3)ccc12 ZINC000432069841 858966900 /nfs/dbraw/zinc/96/69/00/858966900.db2.gz RIDYGEJFCDNOCC-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(Br)c3)ccc12 ZINC000432069841 858966903 /nfs/dbraw/zinc/96/69/03/858966903.db2.gz RIDYGEJFCDNOCC-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000432083967 858977798 /nfs/dbraw/zinc/97/77/98/858977798.db2.gz BHILAASMVUESLK-UHFFFAOYSA-N -1 1 424.650 4.384 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1Br ZINC000432176960 859032084 /nfs/dbraw/zinc/03/20/84/859032084.db2.gz NPEFZALSBDUPHQ-UHFFFAOYSA-N -1 1 423.288 4.277 20 0 HIADMM Cc1nc(-c2ccc(NCC[C@H](c3ccccc3)C(F)(F)F)nc2)[n-]c(=O)c1C ZINC000432178143 859032821 /nfs/dbraw/zinc/03/28/21/859032821.db2.gz SBIOKXLRUATLTE-QGZVFWFLSA-N -1 1 402.420 5.009 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1)C1(CO)CCC1)c1cc(Cl)sc1Cl ZINC000432300197 859092130 /nfs/dbraw/zinc/09/21/30/859092130.db2.gz SMBODSBGWPGWMC-AWEZNQCLSA-N -1 1 406.356 4.237 20 0 HIADMM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1F ZINC000432647806 859271908 /nfs/dbraw/zinc/27/19/08/859271908.db2.gz HGMMDXYZMRMISU-UHFFFAOYSA-N -1 1 410.211 4.299 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccnc(C)c4)no3)c2)c1 ZINC000432683328 859292514 /nfs/dbraw/zinc/29/25/14/859292514.db2.gz YTLHHVYXBWZLGA-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cscn4)no3)ccc2C)cc1 ZINC000432689759 859296640 /nfs/dbraw/zinc/29/66/40/859296640.db2.gz LHZLCQHIMHINAO-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM COc1cc(NC(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)ccc1[N-]S(C)(=O)=O ZINC000432869475 859398647 /nfs/dbraw/zinc/39/86/47/859398647.db2.gz XDSNCCSDWUTCRO-LJQANCHMSA-N -1 1 423.510 4.067 20 0 HIADMM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000433374173 859663383 /nfs/dbraw/zinc/66/33/83/859663383.db2.gz MASDJAXYJXOOCL-NRFANRHFSA-N -1 1 424.570 4.056 20 0 HIADMM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000433405562 859681301 /nfs/dbraw/zinc/68/13/01/859681301.db2.gz HCBKFWNTAGHKEF-NRFANRHFSA-N -1 1 424.570 4.056 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1 ZINC000433497780 859735553 /nfs/dbraw/zinc/73/55/53/859735553.db2.gz ROEWWMSXKHBOON-MRXNPFEDSA-N -1 1 400.544 4.230 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000433508593 859742695 /nfs/dbraw/zinc/74/26/95/859742695.db2.gz XLEZMWORYYFMCO-UHFFFAOYSA-N -1 1 405.413 4.467 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 ZINC000433511458 859743950 /nfs/dbraw/zinc/74/39/50/859743950.db2.gz RFYQOULGXRBPDJ-UHFFFAOYSA-N -1 1 412.486 4.370 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)c3ccccc3)c2)c1 ZINC000433522199 859754382 /nfs/dbraw/zinc/75/43/82/859754382.db2.gz QTBSPDITEBGRDA-UHFFFAOYSA-N -1 1 415.536 4.024 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 ZINC000433530490 859759869 /nfs/dbraw/zinc/75/98/69/859759869.db2.gz OPIYYNUZNSZBQJ-UHFFFAOYSA-N -1 1 400.544 4.230 20 0 HIADMM CCC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000434337843 860298511 /nfs/dbraw/zinc/29/85/11/860298511.db2.gz FXQDVYSYRLPVOM-UHFFFAOYSA-N -1 1 408.479 4.332 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000434565936 860404189 /nfs/dbraw/zinc/40/41/89/860404189.db2.gz LKSUJCGXZPYOOP-HXUWFJFHSA-N -1 1 402.498 4.024 20 0 HIADMM CCC[C@H](NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000434778913 860492310 /nfs/dbraw/zinc/49/23/10/860492310.db2.gz SMUBSZLIDFGJFC-PKOBYXMFSA-N -1 1 415.950 4.333 20 0 HIADMM C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000435141819 860662719 /nfs/dbraw/zinc/66/27/19/860662719.db2.gz CFGMIYXKSIPOLM-GAJHUEQPSA-N -1 1 409.489 4.142 20 0 HIADMM C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000435141822 860662807 /nfs/dbraw/zinc/66/28/07/860662807.db2.gz CFGMIYXKSIPOLM-UZUQRXQVSA-N -1 1 409.489 4.142 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)ccc1C ZINC000435144820 860663773 /nfs/dbraw/zinc/66/37/73/860663773.db2.gz AHPVULKESGWOSI-UHFFFAOYSA-N -1 1 413.524 4.300 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1[nH]ccc1C ZINC000435385046 860779433 /nfs/dbraw/zinc/77/94/33/860779433.db2.gz POWUKXHZPDPYLS-UHFFFAOYSA-N -1 1 419.890 4.038 20 0 HIADMM O=S(=O)([N-]CCCCOCc1ccccc1)c1c(Cl)cc(F)cc1Cl ZINC000435420418 860794178 /nfs/dbraw/zinc/79/41/78/860794178.db2.gz CHLTVAIKBNACBM-UHFFFAOYSA-N -1 1 406.306 4.408 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCCO1)c1c(Cl)cc(F)cc1Cl ZINC000435430418 860797338 /nfs/dbraw/zinc/79/73/38/860797338.db2.gz BIBIWKGIVAPOFZ-JKSUJKDBSA-N -1 1 404.290 4.331 20 0 HIADMM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1c(Cl)cc(F)cc1Cl ZINC000435431158 860797361 /nfs/dbraw/zinc/79/73/61/860797361.db2.gz HEFDFOPUEWOGFH-UHFFFAOYSA-N -1 1 409.213 4.086 20 0 HIADMM CCc1occc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000435800465 861069815 /nfs/dbraw/zinc/06/98/15/861069815.db2.gz QEXJIKFAVGFMCP-UHFFFAOYSA-N -1 1 420.874 4.254 20 0 HIADMM CSCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438062177 863434255 /nfs/dbraw/zinc/43/42/55/863434255.db2.gz CTDOLDZJRTZDGR-UHFFFAOYSA-N -1 1 416.927 4.362 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)[C@H]1CCCS1 ZINC000438064349 863438515 /nfs/dbraw/zinc/43/85/15/863438515.db2.gz JRASYAAIWSUIPH-MRXNPFEDSA-N -1 1 414.911 4.114 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CCc1ccccn1)Cc1ccncc1 ZINC000438074163 863460954 /nfs/dbraw/zinc/46/09/54/863460954.db2.gz CFWGTUXJEITGDH-UHFFFAOYSA-N -1 1 401.388 4.086 20 0 HIADMM CCSc1ccc(Cl)cc1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000438265383 863731128 /nfs/dbraw/zinc/73/11/28/863731128.db2.gz CROYTLHPAIFNQP-UHFFFAOYSA-N -1 1 414.936 4.084 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000438546923 863976012 /nfs/dbraw/zinc/97/60/12/863976012.db2.gz OVACVQZICAGTGW-LEWJYISDSA-N -1 1 424.497 4.221 20 0 HIADMM O=C([N-]c1ccsc1Cl)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000438565315 863999153 /nfs/dbraw/zinc/99/91/53/863999153.db2.gz BAHRTPYKMRICRL-UHFFFAOYSA-N -1 1 418.974 4.255 20 0 HIADMM CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438754506 864245252 /nfs/dbraw/zinc/24/52/52/864245252.db2.gz PHWQRTFCQGXFIR-UHFFFAOYSA-N -1 1 404.271 4.280 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(COCc3ccccc3)cc2)c(F)c1 ZINC000438770331 864265511 /nfs/dbraw/zinc/26/55/11/864265511.db2.gz HLNCRCSWHKQONQ-UHFFFAOYSA-N -1 1 415.442 4.042 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)ccc1OC1CCOCC1 ZINC000438770014 864265655 /nfs/dbraw/zinc/26/56/55/864265655.db2.gz YQARGIKDJHBYPR-UHFFFAOYSA-N -1 1 417.527 4.192 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)c1 ZINC000438770935 864266138 /nfs/dbraw/zinc/26/61/38/864266138.db2.gz JACQTNHNYCLDEO-UHFFFAOYSA-N -1 1 418.858 4.115 20 0 HIADMM COc1ccccc1-c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000438774331 864270033 /nfs/dbraw/zinc/27/00/33/864270033.db2.gz UQSSWRCXHZFZHS-UHFFFAOYSA-N -1 1 401.415 4.000 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1 ZINC000438774121 864270168 /nfs/dbraw/zinc/27/01/68/864270168.db2.gz DDZJVHGBHUABCZ-UHFFFAOYSA-N -1 1 414.449 4.074 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1 ZINC000438778007 864273380 /nfs/dbraw/zinc/27/33/80/864273380.db2.gz WONYQSSPYDXFDT-UHFFFAOYSA-N -1 1 419.553 4.329 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000438804283 864296071 /nfs/dbraw/zinc/29/60/71/864296071.db2.gz HQMSEVZDLZNKLN-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438807986 864299419 /nfs/dbraw/zinc/29/94/19/864299419.db2.gz HXBSNLATXVDYRR-UHFFFAOYSA-N -1 1 423.101 4.460 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)cc1Br ZINC000438809104 864300295 /nfs/dbraw/zinc/30/02/95/864300295.db2.gz HRCGQAMTQVVAHT-UHFFFAOYSA-N -1 1 423.332 4.215 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)C(C)C)cc3)cc2F)n1 ZINC000438811092 864302024 /nfs/dbraw/zinc/30/20/24/864302024.db2.gz CUAVSOHVNBFUJQ-UHFFFAOYSA-N -1 1 415.490 4.268 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c1 ZINC000438817487 864310439 /nfs/dbraw/zinc/31/04/39/864310439.db2.gz YRODMLBENCNWPJ-UHFFFAOYSA-N -1 1 411.321 4.215 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC3CC3)ccc2C)cc1CC ZINC000438843583 864338748 /nfs/dbraw/zinc/33/87/48/864338748.db2.gz SVGLAQQGEJFQSN-UHFFFAOYSA-N -1 1 400.544 4.060 20 0 HIADMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000438856034 864350035 /nfs/dbraw/zinc/35/00/35/864350035.db2.gz JIHRXRZSAWBTFR-UHFFFAOYSA-N -1 1 400.544 4.134 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1cc(Cl)cc(Cl)c1 ZINC000438990398 864450056 /nfs/dbraw/zinc/45/00/56/864450056.db2.gz YAAZVORLDCNSOR-UHFFFAOYSA-N -1 1 407.269 4.375 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000439025122 864479176 /nfs/dbraw/zinc/47/91/76/864479176.db2.gz HNOIDYAKKRVANH-OAHLLOKOSA-N -1 1 404.507 4.196 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(Br)ccc2Cl)cc1F ZINC000467947791 881815401 /nfs/dbraw/zinc/81/54/01/881815401.db2.gz GPQFRFZQFCMNFT-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000439657885 864985353 /nfs/dbraw/zinc/98/53/53/864985353.db2.gz HYHUFOBLTLARFP-FQEVSTJZSA-N -1 1 420.435 4.127 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2o1 ZINC000439869963 865179859 /nfs/dbraw/zinc/17/98/59/865179859.db2.gz FJUNDXYEWVIROO-UHFFFAOYSA-N -1 1 408.479 4.485 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(CCOC)nc3c2)cc1 ZINC000439870703 865180154 /nfs/dbraw/zinc/18/01/54/865180154.db2.gz MGQHVTVYIKPABM-UHFFFAOYSA-N -1 1 418.515 4.387 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(CC(F)(F)F)C2)c1cccc(C(F)(F)F)c1 ZINC000440071812 865338312 /nfs/dbraw/zinc/33/83/12/865338312.db2.gz AZLNAIKLUMLLAS-UHFFFAOYSA-N -1 1 424.366 4.384 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2c1CN(CC(F)(F)F)C2 ZINC000440082704 865345711 /nfs/dbraw/zinc/34/57/11/865345711.db2.gz RTLAOOSJMNGBQQ-UHFFFAOYSA-N -1 1 404.841 4.327 20 0 HIADMM Cc1noc(C)c1CCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000468030098 881862670 /nfs/dbraw/zinc/86/26/70/881862670.db2.gz NPLYASLOEVWWFJ-UHFFFAOYSA-N -1 1 418.085 4.093 20 0 HIADMM COC(=O)c1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c(F)cc1F ZINC000440300513 865560326 /nfs/dbraw/zinc/56/03/26/865560326.db2.gz BSIONDBLZRIGCS-UHFFFAOYSA-N -1 1 411.813 4.359 20 0 HIADMM C[C@H]1CC[C@H](CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)O1 ZINC000440367379 865649719 /nfs/dbraw/zinc/64/97/19/865649719.db2.gz OJTWIZKILYSZKC-KBXCAEBGSA-N -1 1 422.934 4.427 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCCC(F)(F)F)c1 ZINC000440516211 865801736 /nfs/dbraw/zinc/80/17/36/865801736.db2.gz OBSKVMBKONYDDM-UHFFFAOYSA-N -1 1 414.449 4.177 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCC(F)(F)F)cc2)cc1C ZINC000440528638 865805006 /nfs/dbraw/zinc/80/50/06/865805006.db2.gz FGCVUOHCULJVPB-UHFFFAOYSA-N -1 1 414.449 4.177 20 0 HIADMM Cc1oc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)cc1S(=O)(=O)N(C)C ZINC000440549203 865815457 /nfs/dbraw/zinc/81/54/57/865815457.db2.gz NWBFOSDMTFPSFY-UHFFFAOYSA-N -1 1 416.952 4.245 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCC(F)(F)F)c2)cc1F ZINC000440549782 865815952 /nfs/dbraw/zinc/81/59/52/865815952.db2.gz XKKYUEYDNYPIQL-UHFFFAOYSA-N -1 1 418.412 4.007 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1Cl ZINC000440832877 865947827 /nfs/dbraw/zinc/94/78/27/865947827.db2.gz NIMSTQFKAGXDHD-UHFFFAOYSA-N -1 1 407.797 4.032 20 0 HIADMM Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)cc2)c1 ZINC000442314719 867322015 /nfs/dbraw/zinc/32/20/15/867322015.db2.gz IKTAOLAUOFEJGL-UHFFFAOYSA-N -1 1 410.495 4.290 20 0 HIADMM C[C@H](Sc1ccccn1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000442399959 867379907 /nfs/dbraw/zinc/37/99/07/867379907.db2.gz VZSCOMROVMJPGS-HNNXBMFYSA-N -1 1 413.524 4.002 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3O)cc2)cc1 ZINC000442839147 867693812 /nfs/dbraw/zinc/69/38/12/867693812.db2.gz VARSBKSUKXOUIH-UHFFFAOYSA-N -1 1 401.440 4.003 20 0 HIADMM COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc(Cl)c1[O-] ZINC000442982727 867778148 /nfs/dbraw/zinc/77/81/48/867778148.db2.gz MBGVEAMUXCVQPC-IBGZPJMESA-N -1 1 424.884 4.034 20 0 HIADMM COc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000443063613 867806857 /nfs/dbraw/zinc/80/68/57/867806857.db2.gz ZCFYCTVBIJFWMR-WBVHZDCISA-N -1 1 413.276 4.022 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)ccc1Br)c1cnccc1C(F)(F)F ZINC000443131888 867833636 /nfs/dbraw/zinc/83/36/36/867833636.db2.gz KAJSKNKITSSUSF-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM COc1cc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc(Cl)c1[O-] ZINC000443137769 867836474 /nfs/dbraw/zinc/83/64/74/867836474.db2.gz ZKIBNAYKIWKLAW-INIZCTEOSA-N -1 1 415.795 4.287 20 0 HIADMM COc1cc(-c2nc(-c3cccc(OCC(F)(F)F)n3)no2)cc(Cl)c1[O-] ZINC000443208658 867876165 /nfs/dbraw/zinc/87/61/65/867876165.db2.gz CEHILBOTLKQTEM-UHFFFAOYSA-N -1 1 401.728 4.107 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@](C)(CC)C3)c2)cc1 ZINC000468240249 882137941 /nfs/dbraw/zinc/13/79/41/882137941.db2.gz LCVUTXXAUQEWOL-QFIPXVFZSA-N -1 1 416.543 4.148 20 0 HIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000443401516 867961165 /nfs/dbraw/zinc/96/11/65/867961165.db2.gz CSDMCTMAAJXBGX-UHFFFAOYSA-N -1 1 401.513 4.186 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c(C)c1 ZINC000443405861 867988209 /nfs/dbraw/zinc/98/82/09/867988209.db2.gz KVDCFVWCWSPFHS-UHFFFAOYSA-N -1 1 418.540 4.253 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(-c4csnn4)cc3)c2)n1 ZINC000443410813 867991434 /nfs/dbraw/zinc/99/14/34/867991434.db2.gz BTTSUXYGWFXEGW-UHFFFAOYSA-N -1 1 414.537 4.438 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1OC ZINC000443410340 867993166 /nfs/dbraw/zinc/99/31/66/867993166.db2.gz ZRXFVWLETNNIQG-UHFFFAOYSA-N -1 1 404.513 4.245 20 0 HIADMM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000443412509 867995021 /nfs/dbraw/zinc/99/50/21/867995021.db2.gz BOHIRUOKTGJGQY-UHFFFAOYSA-N -1 1 401.301 4.072 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(C[S@@](C)=O)c3C)c2)n1 ZINC000443411277 867995207 /nfs/dbraw/zinc/99/52/07/867995207.db2.gz QXHHIJWMPUZPLU-AREMUKBSSA-N -1 1 420.581 4.106 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)cc1Cl ZINC000443414314 867997525 /nfs/dbraw/zinc/99/75/25/867997525.db2.gz IDIZQMUAVALWJU-UHFFFAOYSA-N -1 1 413.776 4.230 20 0 HIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Br)c(Cl)c3)ccc2o1 ZINC000443420455 868004236 /nfs/dbraw/zinc/00/42/36/868004236.db2.gz UFQVXFAJWMJBOR-UHFFFAOYSA-N -1 1 401.669 4.353 20 0 HIADMM C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000443531289 868089058 /nfs/dbraw/zinc/08/90/58/868089058.db2.gz PYNNCSBZHJKQKU-KRWDZBQOSA-N -1 1 423.538 4.362 20 0 HIADMM Cc1cnc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c(Br)c1 ZINC000444049771 868589291 /nfs/dbraw/zinc/58/92/91/868589291.db2.gz MKWWBZCZJKVUBO-UHFFFAOYSA-N -1 1 420.126 4.024 20 0 HIADMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])co1 ZINC000444295987 868725972 /nfs/dbraw/zinc/72/59/72/868725972.db2.gz XVEQOWHMGKWHSJ-UHFFFAOYSA-N -1 1 406.847 4.000 20 0 HIADMM O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444354674 868781398 /nfs/dbraw/zinc/78/13/98/868781398.db2.gz VMAUIICEUKLPLW-UHFFFAOYSA-N -1 1 419.481 4.291 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1c(F)c(F)cc(F)c1F ZINC000444367433 868792890 /nfs/dbraw/zinc/79/28/90/868792890.db2.gz QSOKOCOLMXAMMC-UHFFFAOYSA-N -1 1 410.367 4.263 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cc(F)c(F)c(F)c1F ZINC000444377054 868800932 /nfs/dbraw/zinc/80/09/32/868800932.db2.gz VUQJTNZMHYZBHE-UHFFFAOYSA-N -1 1 410.367 4.263 20 0 HIADMM CCc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)[nH]c(C)c1C(C)=O ZINC000444376986 868801051 /nfs/dbraw/zinc/80/10/51/868801051.db2.gz VFONLXIDDPOKPL-UHFFFAOYSA-N -1 1 411.502 4.109 20 0 HIADMM Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444391647 868805300 /nfs/dbraw/zinc/80/53/00/868805300.db2.gz LJJLAMWJZWQJSW-UHFFFAOYSA-N -1 1 420.469 4.065 20 0 HIADMM CC[C@H](C)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(F)(F)F ZINC000444536899 868873264 /nfs/dbraw/zinc/87/32/64/868873264.db2.gz VDDIKYOQAVKCRR-SUMWQHHRSA-N -1 1 414.449 4.194 20 0 HIADMM CC[C@H](C)[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000444545420 868876957 /nfs/dbraw/zinc/87/69/57/868876957.db2.gz LFLUSSNDCDGREW-GUYCJALGSA-N -1 1 414.449 4.194 20 0 HIADMM Cc1cccc2nc(C3CCN(C(=O)c4c(C)nc(C(C)(C)C)[n-]c4=O)CC3)oc21 ZINC000444557904 868881520 /nfs/dbraw/zinc/88/15/20/868881520.db2.gz WQTKFTQMADLGBN-UHFFFAOYSA-N -1 1 408.502 4.258 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444656312 868933300 /nfs/dbraw/zinc/93/33/00/868933300.db2.gz DRULFHULZJVXPH-LJQANCHMSA-N -1 1 412.921 4.392 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444656311 868933700 /nfs/dbraw/zinc/93/37/00/868933700.db2.gz DRULFHULZJVXPH-IBGZPJMESA-N -1 1 412.921 4.392 20 0 HIADMM CC(C)[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000444919181 869104838 /nfs/dbraw/zinc/10/48/38/869104838.db2.gz CTMYPISBNQVHMM-KRWDZBQOSA-N -1 1 401.532 4.387 20 0 HIADMM CCc1cccc(CC)c1NC(=O)Cc1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000445309038 869362423 /nfs/dbraw/zinc/36/24/23/869362423.db2.gz DBBNKYBZGOAKHX-UHFFFAOYSA-N -1 1 415.877 4.410 20 0 HIADMM O=C(Cc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1)NCCc1ccccc1 ZINC000445326475 869386598 /nfs/dbraw/zinc/38/65/98/869386598.db2.gz BEGKNIJKWWRWSB-UHFFFAOYSA-N -1 1 415.449 4.136 20 0 HIADMM Cc1cc(C(=O)N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000468366721 882309213 /nfs/dbraw/zinc/30/92/13/882309213.db2.gz IDNTZIWVPPXGBR-UHFFFAOYSA-N -1 1 418.584 4.108 20 0 HIADMM COc1cc(-c2noc(-c3cc(C)nc4onc(C)c43)n2)cc(Br)c1[O-] ZINC000445388422 869474759 /nfs/dbraw/zinc/47/47/59/869474759.db2.gz BWAWDYXSMCZKJY-UHFFFAOYSA-N -1 1 417.219 4.033 20 0 HIADMM COc1cc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)cc(Br)c1[O-] ZINC000445389556 869475887 /nfs/dbraw/zinc/47/58/87/869475887.db2.gz DTDJPUZLWKOLOT-UHFFFAOYSA-N -1 1 419.260 4.332 20 0 HIADMM COc1cc(-c2noc(C3(c4cccc(F)c4)CC3)n2)cc(Br)c1[O-] ZINC000445391593 869477498 /nfs/dbraw/zinc/47/74/98/869477498.db2.gz LBFMPNRGFDXKIG-UHFFFAOYSA-N -1 1 405.223 4.432 20 0 HIADMM COc1cc(-c2noc(/C=C/c3ccc4c(c3)CCO4)n2)cc(Br)c1[O-] ZINC000445395485 869481843 /nfs/dbraw/zinc/48/18/43/869481843.db2.gz WWMZSBMPSGOCSI-HWKANZROSA-N -1 1 415.243 4.319 20 0 HIADMM COc1cc(-c2noc(-c3cccnc3C(F)(F)F)n2)cc(Br)c1[O-] ZINC000445397759 869482755 /nfs/dbraw/zinc/48/27/55/869482755.db2.gz LTUFOPKRMGFMKD-UHFFFAOYSA-N -1 1 416.153 4.294 20 0 HIADMM CCOc1cc(-c2noc(CCC(=O)c3ccc(OC)cc3)n2)cc(Cl)c1[O-] ZINC000445407729 869491791 /nfs/dbraw/zinc/49/17/91/869491791.db2.gz SAUPFXFCFXIONI-UHFFFAOYSA-N -1 1 402.834 4.318 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)cc(Cl)c1[O-] ZINC000445418485 869501953 /nfs/dbraw/zinc/50/19/53/869501953.db2.gz OLMYBPLGWUNYCD-UHFFFAOYSA-N -1 1 415.755 4.497 20 0 HIADMM CCOc1cc(-c2noc(C[C@@H](NC(C)=O)c3ccc(C)cc3)n2)cc(Cl)c1[O-] ZINC000445425612 869510041 /nfs/dbraw/zinc/51/00/41/869510041.db2.gz DSIICPZCDUAESO-QGZVFWFLSA-N -1 1 415.877 4.223 20 0 HIADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)[nH]n1 ZINC000468365719 882307525 /nfs/dbraw/zinc/30/75/25/882307525.db2.gz YQHCUNKWDVXGRX-OLZOCXBDSA-N -1 1 415.943 4.181 20 0 HIADMM COc1cc(C(C)=O)ccc1OCCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445448334 869528881 /nfs/dbraw/zinc/52/88/81/869528881.db2.gz RSNSXNYPDDYFOK-UHFFFAOYSA-N -1 1 402.834 4.318 20 0 HIADMM O=C1[C@H](c2nc(-c3ccc([O-])cc3F)no2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000445454505 869532092 /nfs/dbraw/zinc/53/20/92/869532092.db2.gz GJEAIOCNDFACRJ-LBPRGKRZSA-N -1 1 408.216 4.409 20 0 HIADMM O=C1[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CCN1c1cc(Cl)ccc1Cl ZINC000445454388 869532471 /nfs/dbraw/zinc/53/24/71/869532471.db2.gz FSBHHGNXOHROSR-GFCCVEGCSA-N -1 1 408.216 4.409 20 0 HIADMM O=C(Nc1nc(Cc2nc(-c3ccc([O-])cc3F)no2)cs1)c1ccccc1F ZINC000445461128 869536979 /nfs/dbraw/zinc/53/69/79/869536979.db2.gz VMPKQDXRIQDDQC-UHFFFAOYSA-N -1 1 414.393 4.020 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccoc4)no3)c2)cc1 ZINC000445460386 869537221 /nfs/dbraw/zinc/53/72/21/869537221.db2.gz ABRDFFDELVFYLE-UHFFFAOYSA-N -1 1 411.439 4.196 20 0 HIADMM Cc1ccc(S(=O)(=O)C2(c3nc(-c4ccc([O-])c(F)c4)no3)CCCC2)cc1 ZINC000445478089 869550601 /nfs/dbraw/zinc/55/06/01/869550601.db2.gz PXJGYHZVTAOTDN-UHFFFAOYSA-N -1 1 402.447 4.133 20 0 HIADMM O=c1c2ccccc2c(-c2nc(-c3ccc([O-])c(F)c3)no2)nn1Cc1ccccc1 ZINC000445478811 869551233 /nfs/dbraw/zinc/55/12/33/869551233.db2.gz IEFCJWAXYZVCBO-UHFFFAOYSA-N -1 1 414.396 4.007 20 0 HIADMM O=C1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CN1Cc1cccc(C(F)(F)F)c1 ZINC000445480037 869553356 /nfs/dbraw/zinc/55/33/56/869553356.db2.gz YAARZWOSIMXKHN-CYBMUJFWSA-N -1 1 421.350 4.116 20 0 HIADMM O=C(N[C@@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1)c1ccccc1 ZINC000445483099 869554733 /nfs/dbraw/zinc/55/47/33/869554733.db2.gz VHJNIBPXTRPTJM-IBGZPJMESA-N -1 1 403.413 4.295 20 0 HIADMM O=S(=O)(Cc1ccccc1)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445483297 869554746 /nfs/dbraw/zinc/55/47/46/869554746.db2.gz SCZBKOKNAONYQM-UHFFFAOYSA-N -1 1 410.426 4.222 20 0 HIADMM Cc1c(-c2nc(-c3ccc([O-])c(F)c3)no2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000445484502 869555774 /nfs/dbraw/zinc/55/57/74/869555774.db2.gz ZOQMDKRFVSDLNR-UHFFFAOYSA-N -1 1 412.446 4.055 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C4CCSCC4)no3)c2)cc1 ZINC000445539322 869595256 /nfs/dbraw/zinc/59/52/56/869595256.db2.gz DMVKGRHOPRDTQJ-UHFFFAOYSA-N -1 1 415.540 4.456 20 0 HIADMM Cc1cc(Cl)ccc1Cc1noc(CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000445589874 869651005 /nfs/dbraw/zinc/65/10/05/869651005.db2.gz YRQPYRGIEGVBQN-UHFFFAOYSA-N -1 1 421.888 4.273 20 0 HIADMM COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)no2)c([O-])c1 ZINC000445744086 869795682 /nfs/dbraw/zinc/79/56/82/869795682.db2.gz UARUUUIJVFIDEL-JTQLQIEISA-N -1 1 422.268 4.178 20 0 HIADMM CC(C)C[C@@H](C)OCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000445849495 869858026 /nfs/dbraw/zinc/85/80/26/869858026.db2.gz LXKYREZPGZMDBD-QGZVFWFLSA-N -1 1 404.532 4.267 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](C(C)C)C3)cc2)cc1 ZINC000446524009 870440601 /nfs/dbraw/zinc/44/06/01/870440601.db2.gz WOKQTDCXVAWDQQ-SFHVURJKSA-N -1 1 416.543 4.004 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](C(C)C)C3)cc2)cc1 ZINC000446524008 870440772 /nfs/dbraw/zinc/44/07/72/870440772.db2.gz WOKQTDCXVAWDQQ-GOSISDBHSA-N -1 1 416.543 4.004 20 0 HIADMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cncnc2)cc1 ZINC000446633195 870539564 /nfs/dbraw/zinc/53/95/64/870539564.db2.gz XGCDHWGVFOMKMU-UHFFFAOYSA-N -1 1 417.512 4.002 20 0 HIADMM COc1ccc(F)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000446674020 870586428 /nfs/dbraw/zinc/58/64/28/870586428.db2.gz ALZULUKLUBLVTJ-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM COc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000446674880 870587935 /nfs/dbraw/zinc/58/79/35/870587935.db2.gz DXKFBQVUSZDBPU-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ncc(C)cc3[O-])C2)n1 ZINC000447157258 871055170 /nfs/dbraw/zinc/05/51/70/871055170.db2.gz SLBODTUPGKPBHG-HNNXBMFYSA-N -1 1 409.511 4.248 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cc1OC(C)C ZINC000447272057 871157084 /nfs/dbraw/zinc/15/70/84/871157084.db2.gz USKLJZVVUYFCSP-INIZCTEOSA-N -1 1 423.506 4.137 20 0 HIADMM CCOc1cc(C(=O)NC2(c3cccc(OC)c3F)CCOCC2)cc(Cl)c1[O-] ZINC000447275005 871163668 /nfs/dbraw/zinc/16/36/68/871163668.db2.gz RJAKMKVSESZGQS-UHFFFAOYSA-N -1 1 423.868 4.028 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1Cl)C(C)C ZINC000447274400 871164196 /nfs/dbraw/zinc/16/41/96/871164196.db2.gz LJCMDRHDZJVKAH-UHFFFAOYSA-N -1 1 416.877 4.290 20 0 HIADMM O=C(Nc1ccc(Cl)cc1-c1cccc2ccccc21)c1cc(=O)n2[n-]cnc2n1 ZINC000447627007 871533835 /nfs/dbraw/zinc/53/38/35/871533835.db2.gz RRXMAGPGVMFSFF-UHFFFAOYSA-N -1 1 415.840 4.144 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)c2C)o1 ZINC000447795671 871732559 /nfs/dbraw/zinc/73/25/59/871732559.db2.gz QTQFRUDLGBIZKW-UHFFFAOYSA-N -1 1 403.357 4.245 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000447860476 871780824 /nfs/dbraw/zinc/78/08/24/871780824.db2.gz GWVDXZZQOARLCE-JOCHJYFZSA-N -1 1 422.504 4.480 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447897955 871808160 /nfs/dbraw/zinc/80/81/60/871808160.db2.gz QLKQCOFUXSAAIE-UHFFFAOYSA-N -1 1 409.311 4.459 20 0 HIADMM COc1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc(Cl)c1[O-] ZINC000460191874 872762773 /nfs/dbraw/zinc/76/27/73/872762773.db2.gz IUVULYXSYZPESJ-UHFFFAOYSA-N -1 1 402.809 4.311 20 0 HIADMM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000460420896 873080355 /nfs/dbraw/zinc/08/03/55/873080355.db2.gz OZEOUQFSLVVLCF-SFHVURJKSA-N -1 1 401.576 4.323 20 0 HIADMM CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000460431718 873095659 /nfs/dbraw/zinc/09/56/59/873095659.db2.gz WZFZRMWPNWXEPC-AWEZNQCLSA-N -1 1 407.495 4.480 20 0 HIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)nc1-c1ccccc1 ZINC000460436430 873102096 /nfs/dbraw/zinc/10/20/96/873102096.db2.gz LJAQCWDESPXNAL-MAUKXSAKSA-N -1 1 421.522 4.278 20 0 HIADMM Cc1ccc(NS(=O)(=O)c2ccc(F)c3ncccc23)c(SCCC(=O)[O-])c1 ZINC000460443390 873112394 /nfs/dbraw/zinc/11/23/94/873112394.db2.gz AKOWUQCESUKEJX-UHFFFAOYSA-N -1 1 420.487 4.050 20 0 HIADMM CCC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000460454074 873130544 /nfs/dbraw/zinc/13/05/44/873130544.db2.gz KWYIWTFHBGJYMC-UHFFFAOYSA-N -1 1 407.495 4.481 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(-c4ccc(F)cn4)no3)c2)c1 ZINC000460643940 873385114 /nfs/dbraw/zinc/38/51/14/873385114.db2.gz BATQWPFQEQBZIN-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H]1Cc2ccccc21 ZINC000460710834 873497576 /nfs/dbraw/zinc/49/75/76/873497576.db2.gz UTQPMRUGEGXHKB-GOSISDBHSA-N -1 1 414.433 4.044 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1 ZINC000460822070 873705057 /nfs/dbraw/zinc/70/50/57/873705057.db2.gz YEVJXJUQPVXQCU-UHFFFAOYSA-N -1 1 409.573 4.324 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC4(CCC4)[C@@H]3C3CC3)c2)cc1 ZINC000460967068 873863539 /nfs/dbraw/zinc/86/35/39/873863539.db2.gz BFSCYVKOGSXLLN-NRFANRHFSA-N -1 1 410.539 4.201 20 0 HIADMM COCCOc1cc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)nc2ccccc21 ZINC000461110872 874032472 /nfs/dbraw/zinc/03/24/72/874032472.db2.gz SEGFLFLYWDNBKP-UHFFFAOYSA-N -1 1 418.371 4.132 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000461168594 874135101 /nfs/dbraw/zinc/13/51/01/874135101.db2.gz PCUQSBVJLLJCMK-AWEZNQCLSA-N -1 1 424.950 4.074 20 0 HIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1ccc(C(F)(F)F)s1 ZINC000461346959 874354302 /nfs/dbraw/zinc/35/43/02/874354302.db2.gz OHAIDOMONGDGRU-UHFFFAOYSA-N -1 1 413.826 4.382 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1Br ZINC000461426043 874458609 /nfs/dbraw/zinc/45/86/09/874458609.db2.gz DRUDPQGSDQGZHP-UHFFFAOYSA-N -1 1 409.349 4.282 20 0 HIADMM O=C(Nc1cc(C2CC2)ccn1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000461435537 874486140 /nfs/dbraw/zinc/48/61/40/874486140.db2.gz XYBLOUNZJHNDTH-UHFFFAOYSA-N -1 1 411.458 4.151 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000461484356 874545023 /nfs/dbraw/zinc/54/50/23/874545023.db2.gz FZMCLPIITTVGSK-FOIQADDNSA-N -1 1 402.491 4.031 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468744999 882839454 /nfs/dbraw/zinc/83/94/54/882839454.db2.gz AHYDMYXDJRWURK-UHFFFAOYSA-N -1 1 422.828 4.442 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@H]2CCC[C@H]21 ZINC000461494141 874563871 /nfs/dbraw/zinc/56/38/71/874563871.db2.gz IVHAIRIZICMFOU-FOIQADDNSA-N -1 1 402.491 4.031 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)ccc1F ZINC000468797010 882864493 /nfs/dbraw/zinc/86/44/93/882864493.db2.gz CYJLCFYTGFVRIR-UHFFFAOYSA-N -1 1 411.458 4.033 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3c[nH]c4cccnc34)ccc2C)c1 ZINC000468871595 882903366 /nfs/dbraw/zinc/90/33/66/882903366.db2.gz IBGXYPPKAVWDNV-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc([S@](C)=O)cc3)cc2)cc1 ZINC000462104189 875211020 /nfs/dbraw/zinc/21/10/20/875211020.db2.gz RVKRUKMWAFMQNJ-MHZLTWQESA-N -1 1 417.508 4.026 20 0 HIADMM COC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000462302156 875423187 /nfs/dbraw/zinc/42/31/87/875423187.db2.gz WAEQIAKLMINYNP-LSDHHAIUSA-N -1 1 424.950 4.306 20 0 HIADMM COC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000462302773 875424623 /nfs/dbraw/zinc/42/46/23/875424623.db2.gz ZWJISJVTSARYIV-LSDHHAIUSA-N -1 1 424.950 4.306 20 0 HIADMM COC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000462302771 875424863 /nfs/dbraw/zinc/42/48/63/875424863.db2.gz ZWJISJVTSARYIV-GJZGRUSLSA-N -1 1 424.950 4.306 20 0 HIADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000462313949 875434591 /nfs/dbraw/zinc/43/45/91/875434591.db2.gz MKVLFIIZKCKUBG-CYBMUJFWSA-N -1 1 411.829 4.180 20 0 HIADMM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000462315523 875436559 /nfs/dbraw/zinc/43/65/59/875436559.db2.gz JARJQJKYFCIUPC-RDJZCZTQSA-N -1 1 419.852 4.376 20 0 HIADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C)cc(Cl)c3ccccc32)cc1 ZINC000462356554 875470046 /nfs/dbraw/zinc/47/00/46/875470046.db2.gz FLBGPEOKQABSME-UHFFFAOYSA-N -1 1 419.886 4.154 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000462363499 875476853 /nfs/dbraw/zinc/47/68/53/875476853.db2.gz DSBJMKYULFDEHL-UHFFFAOYSA-N -1 1 418.946 4.101 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000462657862 875763127 /nfs/dbraw/zinc/76/31/27/875763127.db2.gz ITMGZSPYGJGQHP-QMMMGPOBSA-N -1 1 411.833 4.079 20 0 HIADMM CC(C)C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000462779305 875836071 /nfs/dbraw/zinc/83/60/71/875836071.db2.gz OPCKNYBEWBXULU-CYBMUJFWSA-N -1 1 410.923 4.467 20 0 HIADMM Cc1ccc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c(O)c1 ZINC000468938361 883002941 /nfs/dbraw/zinc/00/29/41/883002941.db2.gz MMHNDOYASOCUIK-UHFFFAOYSA-N -1 1 407.651 4.210 20 0 HIADMM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cc(-c2cccnc2)on1 ZINC000463166766 876222046 /nfs/dbraw/zinc/22/20/46/876222046.db2.gz CDZLABJFEDRRDU-UHFFFAOYSA-N -1 1 401.213 4.081 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)C(F)(F)F)ccc2C)c1 ZINC000463456357 876517399 /nfs/dbraw/zinc/51/73/99/876517399.db2.gz ZNXVIGVWNKNPAZ-ZDUSSCGKSA-N -1 1 400.422 4.241 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)cc1Cl ZINC000463528525 876601562 /nfs/dbraw/zinc/60/15/62/876601562.db2.gz XVFMGYIRDGRAFK-UHFFFAOYSA-N -1 1 410.948 4.162 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)cc1 ZINC000463529735 876605972 /nfs/dbraw/zinc/60/59/72/876605972.db2.gz ZQJUSUYKZAZSII-LBPRGKRZSA-N -1 1 412.964 4.391 20 0 HIADMM CC[C@H](C)C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000463889528 877010292 /nfs/dbraw/zinc/01/02/92/877010292.db2.gz BCTSTHXIPYFQST-KBPBESRZSA-N -1 1 410.486 4.320 20 0 HIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)NCc2ccncc2)c1 ZINC000469027850 883097000 /nfs/dbraw/zinc/09/70/00/883097000.db2.gz RNJVBHKQLJADPZ-UHFFFAOYSA-N -1 1 424.526 4.328 20 0 HIADMM O=S(=O)([N-]c1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc(Cl)cc1 ZINC000464421569 877631021 /nfs/dbraw/zinc/63/10/21/877631021.db2.gz NCVDEDKTDOCBTB-UHFFFAOYSA-N -1 1 416.934 4.050 20 0 HIADMM C[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@H]1c1ccccc1 ZINC000464558827 877776850 /nfs/dbraw/zinc/77/68/50/877776850.db2.gz HLVBRMOANQPKJS-HTAPYJJXSA-N -1 1 406.507 4.321 20 0 HIADMM CCO[C@H](CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1=CCCC1 ZINC000465038861 878401256 /nfs/dbraw/zinc/40/12/56/878401256.db2.gz RKFVWSVCUQHZPZ-OAQYLSRUSA-N -1 1 414.527 4.331 20 0 HIADMM CCC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000465077201 878436119 /nfs/dbraw/zinc/43/61/19/878436119.db2.gz GUPKERQFHFWBEC-UHFFFAOYSA-N -1 1 420.531 4.269 20 0 HIADMM Cc1c2c(sc1NC(=O)CCc1c(C)nc(-c3cccnc3)[n-]c1=O)CCCC2 ZINC000465113165 878489419 /nfs/dbraw/zinc/48/94/19/878489419.db2.gz QZJCZRVPHZAQBB-UHFFFAOYSA-N -1 1 408.527 4.373 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000465294793 878735286 /nfs/dbraw/zinc/73/52/86/878735286.db2.gz JPIKOMHRKIJGCW-YWZLYKJASA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000465296902 878738302 /nfs/dbraw/zinc/73/83/02/878738302.db2.gz HOXBSNRIGIWWMR-BEFAXECRSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000465297693 878740909 /nfs/dbraw/zinc/74/09/09/878740909.db2.gz VTLYDSSKSDSMNL-JXFKEZNVSA-N -1 1 400.544 4.365 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)cc1 ZINC000466282980 880023853 /nfs/dbraw/zinc/02/38/53/880023853.db2.gz LCTRXDPSQYBIOO-UHFFFAOYSA-N -1 1 406.463 4.422 20 0 HIADMM O=C(NCc1cccc2cc[nH]c21)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000466601380 880372264 /nfs/dbraw/zinc/37/22/64/880372264.db2.gz QPWUFZROSLSJAH-UHFFFAOYSA-N -1 1 420.494 4.290 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c(=O)[n-]1 ZINC000466869238 880636150 /nfs/dbraw/zinc/63/61/50/880636150.db2.gz XGXNDGGZWBKSQT-UHFFFAOYSA-N -1 1 423.941 4.286 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4nc(C(C)C)sc4c3)cc2oc1=O ZINC000466961811 880752708 /nfs/dbraw/zinc/75/27/08/880752708.db2.gz PICGRPCDSPQJOF-UHFFFAOYSA-N -1 1 417.512 4.148 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc3cc[nH]c32)cc1 ZINC000467034247 880832145 /nfs/dbraw/zinc/83/21/45/880832145.db2.gz MQAZDORMJGZSCJ-UHFFFAOYSA-N -1 1 419.506 4.207 20 0 HIADMM Cc1ccc(NC(=O)c2cnc(C)nc2C2CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000467060985 880846797 /nfs/dbraw/zinc/84/67/97/880846797.db2.gz BRSQFOVUZAZGMS-UHFFFAOYSA-N -1 1 422.510 4.024 20 0 HIADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)c1 ZINC000467084578 880854956 /nfs/dbraw/zinc/85/49/56/880854956.db2.gz IQYUUFODFYEHMO-UHFFFAOYSA-N -1 1 407.495 4.188 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)ccc1C ZINC000467092443 880857789 /nfs/dbraw/zinc/85/77/89/880857789.db2.gz TVDOKYGXKKBATA-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM CCOCc1ccccc1CNC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467210519 880940611 /nfs/dbraw/zinc/94/06/11/880940611.db2.gz FWGVPWVOENCVTC-UHFFFAOYSA-N -1 1 423.538 4.103 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CNc3ccccc3)c2)cc1 ZINC000467511876 881324848 /nfs/dbraw/zinc/32/48/48/881324848.db2.gz QUTJJJQQSLVJKN-SFHVURJKSA-N -1 1 423.538 4.026 20 0 HIADMM Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000469108090 883198477 /nfs/dbraw/zinc/19/84/77/883198477.db2.gz SXVWBJWKWBBRCL-UHFFFAOYSA-N -1 1 405.483 4.228 20 0 HIADMM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000469141687 883236722 /nfs/dbraw/zinc/23/67/22/883236722.db2.gz ZLIUXEXUPOOACD-AWEZNQCLSA-N -1 1 404.495 4.188 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c2c(O)cccc21 ZINC000469252796 883350611 /nfs/dbraw/zinc/35/06/11/883350611.db2.gz HWVWPMKUVCJVRG-INIZCTEOSA-N -1 1 422.506 4.347 20 0 HIADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000469457230 883666048 /nfs/dbraw/zinc/66/60/48/883666048.db2.gz PHAHHODIYRZREI-NRFANRHFSA-N -1 1 418.541 4.355 20 0 HIADMM COCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000469515452 883777962 /nfs/dbraw/zinc/77/79/62/883777962.db2.gz NKGBRACECZWRCW-UHFFFAOYSA-N -1 1 424.522 4.237 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1nc(C)cs1 ZINC000469572441 883819018 /nfs/dbraw/zinc/81/90/18/883819018.db2.gz JERDKYIRKLJZBV-UHFFFAOYSA-N -1 1 419.503 4.058 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(CSC3CCCC3)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469696104 883876270 /nfs/dbraw/zinc/87/62/70/883876270.db2.gz QFGKPOXZWLAHIO-UHFFFAOYSA-N -1 1 410.499 4.173 20 0 HIADMM Cc1cc(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469902149 884092098 /nfs/dbraw/zinc/09/20/98/884092098.db2.gz PCHVXHAACMMIDC-CQSZACIVSA-N -1 1 416.437 4.137 20 0 HIADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1)C(F)(F)F ZINC000469909361 884098619 /nfs/dbraw/zinc/09/86/19/884098619.db2.gz MMVHISDJIYQRAD-KRWDZBQOSA-N -1 1 414.449 4.175 20 0 HIADMM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000470262372 884606280 /nfs/dbraw/zinc/60/62/80/884606280.db2.gz DYEGEYLCXXOFHK-FQEVSTJZSA-N -1 1 424.545 4.287 20 0 HIADMM C[C@@H](CCC1CC1)NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000470298295 884672828 /nfs/dbraw/zinc/67/28/28/884672828.db2.gz POSXJHACAVBMMC-HNNXBMFYSA-N -1 1 419.522 4.004 20 0 HIADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1)c2=O ZINC000470602489 885029516 /nfs/dbraw/zinc/02/95/16/885029516.db2.gz ZBZJVEYVDICHPU-INIZCTEOSA-N -1 1 404.392 4.060 20 0 HIADMM CCC1(CC)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)C1 ZINC000504037978 912945895 /nfs/dbraw/zinc/94/58/95/912945895.db2.gz WFGJRPUQJVYTSJ-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(OC(F)F)c3)c3cccc1c23 ZINC000504045204 912952611 /nfs/dbraw/zinc/95/26/11/912952611.db2.gz VVGRAVKZYRSMIS-UHFFFAOYSA-N -1 1 424.812 4.461 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3SC(C)C)cc2C[C@H]1C ZINC000471117341 885652611 /nfs/dbraw/zinc/65/26/11/885652611.db2.gz UTTAYUOCFYOMNK-CQSZACIVSA-N -1 1 404.557 4.285 20 0 HIADMM CCCCN(C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CC1 ZINC000504081764 912989846 /nfs/dbraw/zinc/98/98/46/912989846.db2.gz SHNZOEYRXOWNET-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc3c[nH]nc32)cc1 ZINC000504111247 913020384 /nfs/dbraw/zinc/02/03/84/913020384.db2.gz PCFMBMLHRMUWFQ-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1ccc(C(=O)Nc2cc(Cl)ccn2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471586791 886297885 /nfs/dbraw/zinc/29/78/85/886297885.db2.gz RFHYAYBGEDCRJN-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 ZINC000471586634 886298433 /nfs/dbraw/zinc/29/84/33/886298433.db2.gz RMOKYQWPTUJXAX-GFCCVEGCSA-N -1 1 401.937 4.058 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1nccs1 ZINC000471602619 886316373 /nfs/dbraw/zinc/31/63/73/886316373.db2.gz POHFSQHWPHBQCJ-JTQLQIEISA-N -1 1 413.721 4.128 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H](C)CC2(C)C)cc1 ZINC000471727106 886442060 /nfs/dbraw/zinc/44/20/60/886442060.db2.gz PLCNBAJXVVUSAE-AWEZNQCLSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(F)cc3Cl)n2)cc1F ZINC000471869584 886646983 /nfs/dbraw/zinc/64/69/83/886646983.db2.gz KQZZLYFEEBQQHQ-JTQLQIEISA-N -1 1 413.833 4.016 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000471948326 886751899 /nfs/dbraw/zinc/75/18/99/886751899.db2.gz KUWHQAVQYRGRKX-UHFFFAOYSA-N -1 1 416.247 4.372 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C)cc1Cl ZINC000471965170 886794396 /nfs/dbraw/zinc/79/43/96/886794396.db2.gz CUNHDQYIYOSRMD-UHFFFAOYSA-N -1 1 402.697 4.414 20 0 HIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 ZINC000471996912 886823258 /nfs/dbraw/zinc/82/32/58/886823258.db2.gz AGNWHBGMFWEBRZ-UHFFFAOYSA-N -1 1 405.516 4.359 20 0 HIADMM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(OC(C)C)cc1C(F)(F)F ZINC000472103922 886895160 /nfs/dbraw/zinc/89/51/60/886895160.db2.gz KZAURDMCLXANAP-UHFFFAOYSA-N -1 1 409.451 4.041 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)cc1 ZINC000472177751 886977175 /nfs/dbraw/zinc/97/71/75/886977175.db2.gz RFKZAXLIYCLJAI-NRFANRHFSA-N -1 1 420.534 4.253 20 0 HIADMM CO[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C(C)C ZINC000472220340 887022298 /nfs/dbraw/zinc/02/22/98/887022298.db2.gz JCWJCOHJEIDBLG-SFHVURJKSA-N -1 1 410.923 4.059 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1ccncc1Cl ZINC000472228685 887033446 /nfs/dbraw/zinc/03/34/46/887033446.db2.gz HXRFHFOKWJTCNC-UHFFFAOYSA-N -1 1 401.919 4.168 20 0 HIADMM CO[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(C)C ZINC000472232373 887039469 /nfs/dbraw/zinc/03/94/69/887039469.db2.gz XIOWMHMJIHWOFI-SFHVURJKSA-N -1 1 410.923 4.059 20 0 HIADMM CSCC[C@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000472253756 887063056 /nfs/dbraw/zinc/06/30/56/887063056.db2.gz ADDWVJWYGIWHNV-HNNXBMFYSA-N -1 1 424.563 4.149 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1c(Cl)cc(F)cc1Br ZINC000504281629 913135534 /nfs/dbraw/zinc/13/55/34/913135534.db2.gz ZWBLRZIIYGWZMO-UHFFFAOYSA-N -1 1 418.593 4.460 20 0 HIADMM CSc1ccccc1[C@@H](C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000504339170 913178081 /nfs/dbraw/zinc/17/80/81/913178081.db2.gz RDUHSFOFVUVAGH-CQSZACIVSA-N -1 1 408.527 4.085 20 0 HIADMM COc1c(F)cc(F)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000473236730 888007085 /nfs/dbraw/zinc/00/70/85/888007085.db2.gz CLEGLNCOEZDETP-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CC(=O)Nc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc(C(F)(F)F)c1 ZINC000473280486 888037507 /nfs/dbraw/zinc/03/75/07/888037507.db2.gz BWESOHFHUJOOFV-UHFFFAOYSA-N -1 1 404.348 4.012 20 0 HIADMM CCc1nc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)s1 ZINC000473373394 888091066 /nfs/dbraw/zinc/09/10/66/888091066.db2.gz PEBLOVQRXKJECG-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000473812634 888638422 /nfs/dbraw/zinc/63/84/22/888638422.db2.gz RKFUVQVNTPOUKI-KURKYZTESA-N -1 1 415.559 4.063 20 0 HIADMM O=S(=O)([N-]Cc1coc(-c2cccs2)n1)c1ccc(Cl)c(F)c1Cl ZINC000473910210 888788516 /nfs/dbraw/zinc/78/85/16/888788516.db2.gz DDIHTSFODOIBNH-UHFFFAOYSA-N -1 1 407.275 4.328 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1 ZINC000473935636 888814298 /nfs/dbraw/zinc/81/42/98/888814298.db2.gz FEHYRNULIPKHOV-KRWDZBQOSA-N -1 1 424.522 4.335 20 0 HIADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000473936702 888814627 /nfs/dbraw/zinc/81/46/27/888814627.db2.gz MUUIZIJLQNFSPB-MRXNPFEDSA-N -1 1 410.495 4.026 20 0 HIADMM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccccc1 ZINC000473955675 888827299 /nfs/dbraw/zinc/82/72/99/888827299.db2.gz HRWFOUMHTMCOIC-ZDUSSCGKSA-N -1 1 420.333 4.213 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(N(C)C)o3)cc2)cc1 ZINC000504508400 913299312 /nfs/dbraw/zinc/29/93/12/913299312.db2.gz UMZNRPQYOHRDJC-AWEZNQCLSA-N -1 1 400.504 4.117 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cccc1-c1nnc2n1CCCCC2 ZINC000504529642 913308837 /nfs/dbraw/zinc/30/88/37/913308837.db2.gz HIBIDMDZMDAFLO-UHFFFAOYSA-N -1 1 418.469 4.059 20 0 HIADMM C[C@@H](Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000504529572 913309250 /nfs/dbraw/zinc/30/92/50/913309250.db2.gz GKPNDQFQLNKGMX-JTQLQIEISA-N -1 1 421.824 4.423 20 0 HIADMM CCc1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(C)o1 ZINC000504546134 913323075 /nfs/dbraw/zinc/32/30/75/913323075.db2.gz DIBUIJNTFLCSMY-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)O2 ZINC000474420025 889284033 /nfs/dbraw/zinc/28/40/33/889284033.db2.gz YZNCHEPCUJHXCP-QFIPXVFZSA-N -1 1 422.506 4.128 20 0 HIADMM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474431244 889296115 /nfs/dbraw/zinc/29/61/15/889296115.db2.gz JXXQXFYXIVPBAL-UHFFFAOYSA-N -1 1 418.563 4.130 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCSC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000474663233 889527962 /nfs/dbraw/zinc/52/79/62/889527962.db2.gz IIBVICLOSDNLDO-CYBMUJFWSA-N -1 1 410.948 4.141 20 0 HIADMM CO[C@H]1CCC[C@H](CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000474771635 889629192 /nfs/dbraw/zinc/62/91/92/889629192.db2.gz BIYRPPFWFOUIRW-RDJZCZTQSA-N -1 1 420.506 4.160 20 0 HIADMM CC1CCC(OCC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000474778309 889635565 /nfs/dbraw/zinc/63/55/65/889635565.db2.gz WDYQFWDWQLLUIT-UHFFFAOYSA-N -1 1 420.506 4.160 20 0 HIADMM Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000474779012 889637237 /nfs/dbraw/zinc/63/72/37/889637237.db2.gz ZIZHVCHMHFJHQH-UHFFFAOYSA-N -1 1 422.547 4.232 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000474799091 889652178 /nfs/dbraw/zinc/65/21/78/889652178.db2.gz BIXHSIVYZPOOGE-SSEXGKCCSA-N -1 1 423.538 4.348 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000474804412 889657148 /nfs/dbraw/zinc/65/71/48/889657148.db2.gz OEERBTVMWQSNQA-UHFFFAOYSA-N -1 1 415.559 4.453 20 0 HIADMM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474871552 889726095 /nfs/dbraw/zinc/72/60/95/889726095.db2.gz XQLUPOQMZLVOCH-PXNSSMCTSA-N -1 1 416.543 4.330 20 0 HIADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000474895740 889753107 /nfs/dbraw/zinc/75/31/07/889753107.db2.gz IHGNLFPMTVFDSU-QFBILLFUSA-N -1 1 402.516 4.021 20 0 HIADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000474896633 889755547 /nfs/dbraw/zinc/75/55/47/889755547.db2.gz LLNOVINVLBJSOU-IEBWSBKVSA-N -1 1 416.543 4.330 20 0 HIADMM CCc1onc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000475287037 890189194 /nfs/dbraw/zinc/18/91/94/890189194.db2.gz MNQFWSYPQQZBDS-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM COc1ccc(NC(=O)N(Cc2cccc(C)c2)CC(C)C)cc1[N-]S(C)(=O)=O ZINC000475364658 890292818 /nfs/dbraw/zinc/29/28/18/890292818.db2.gz AACGMIOIDJLNJO-UHFFFAOYSA-N -1 1 419.547 4.065 20 0 HIADMM COc1ccc(NC(=O)N(C)[C@@H](c2ccccc2C)C(C)C)cc1[N-]S(C)(=O)=O ZINC000475377860 890307402 /nfs/dbraw/zinc/30/74/02/890307402.db2.gz QWZAUWYVHMINJR-HXUWFJFHSA-N -1 1 419.547 4.236 20 0 HIADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000475646605 890589645 /nfs/dbraw/zinc/58/96/45/890589645.db2.gz KJQTWSOAXDCMEA-OALUTQOASA-N -1 1 418.584 4.234 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)cc1 ZINC000475786705 890728243 /nfs/dbraw/zinc/72/82/43/890728243.db2.gz NCGDVZXZBVJZDE-UHFFFAOYSA-N -1 1 406.401 4.388 20 0 HIADMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3ccc(C)c(O)c3C)ccc2s1 ZINC000475815542 890750040 /nfs/dbraw/zinc/75/00/40/890750040.db2.gz YZSLAENTJXCOFI-UHFFFAOYSA-N -1 1 405.497 4.201 20 0 HIADMM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000476127700 891050893 /nfs/dbraw/zinc/05/08/93/891050893.db2.gz BBJHWRHZOBFCGT-RBBKRZOGSA-N -1 1 416.525 4.280 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](c4ccccc4)C3)c2)cc1 ZINC000476162493 891089445 /nfs/dbraw/zinc/08/94/45/891089445.db2.gz QVGIEAUYUDBVMH-NRFANRHFSA-N -1 1 420.534 4.426 20 0 HIADMM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000476169716 891098388 /nfs/dbraw/zinc/09/83/88/891098388.db2.gz WEGZULVWZKXJEB-ZWKOTPCHSA-N -1 1 418.559 4.155 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](c4ccccc4)C3)c2)c1 ZINC000476176081 891106769 /nfs/dbraw/zinc/10/67/69/891106769.db2.gz ZSRZUAFCWGBYES-OAQYLSRUSA-N -1 1 420.534 4.426 20 0 HIADMM CC1(C)CN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@@H]1c1ccncc1 ZINC000476295467 891210275 /nfs/dbraw/zinc/21/02/75/891210275.db2.gz UYXUYDJEPCPYNI-GOSISDBHSA-N -1 1 412.287 4.321 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000476398615 891315825 /nfs/dbraw/zinc/31/58/25/891315825.db2.gz UTJQXZUWGKEOCS-UHFFFAOYSA-N -1 1 423.332 4.215 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1NC(=O)C1CCCCC1 ZINC000476407930 891322486 /nfs/dbraw/zinc/32/24/86/891322486.db2.gz JDPNOLCOYZWJDR-UHFFFAOYSA-N -1 1 420.506 4.462 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1 ZINC000476425141 891337030 /nfs/dbraw/zinc/33/70/30/891337030.db2.gz SLQHQCABLYTYBT-CQSZACIVSA-N -1 1 404.507 4.115 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)cc1 ZINC000476426405 891339686 /nfs/dbraw/zinc/33/96/86/891339686.db2.gz ADEZJGGNNCMNJN-UHFFFAOYSA-N -1 1 417.462 4.343 20 0 HIADMM Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000476430172 891342618 /nfs/dbraw/zinc/34/26/18/891342618.db2.gz HWICVKSMBRZIDS-UHFFFAOYSA-N -1 1 416.543 4.003 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@H](C)[C@H]3C)cc2)cc1 ZINC000476567678 891486818 /nfs/dbraw/zinc/48/68/18/891486818.db2.gz GKHBKYHQAWFGSB-IXDOHACOSA-N -1 1 416.543 4.003 20 0 HIADMM CC1(C)CC(CC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000476934667 891877878 /nfs/dbraw/zinc/87/78/78/891877878.db2.gz RTUZCDDDPHHJCX-UHFFFAOYSA-N -1 1 404.507 4.069 20 0 HIADMM CCC(C)(CC)NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000476972598 891899105 /nfs/dbraw/zinc/89/91/05/891899105.db2.gz UBYDEVNRQLTQNV-UHFFFAOYSA-N -1 1 407.511 4.004 20 0 HIADMM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3c(Cl)cccc3Cl)o2)cs1 ZINC000477154230 892077849 /nfs/dbraw/zinc/07/78/49/892077849.db2.gz ZLLJDPVGYXFRAV-UHFFFAOYSA-N -1 1 403.312 4.497 20 0 HIADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c(C(C)C)c1 ZINC000477422393 892375076 /nfs/dbraw/zinc/37/50/76/892375076.db2.gz DOVLJVHZYFWRKO-UHFFFAOYSA-N -1 1 407.557 4.064 20 0 HIADMM Cc1ccc(-c2ccc(C)c(NC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)c2)o1 ZINC000477571756 892634773 /nfs/dbraw/zinc/63/47/73/892634773.db2.gz NLTZTCNFKSHNLT-UHFFFAOYSA-N -1 1 416.499 4.486 20 0 HIADMM CC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000477629086 892745442 /nfs/dbraw/zinc/74/54/42/892745442.db2.gz ROXUXJBBAPWVTI-UHFFFAOYSA-N -1 1 412.433 4.036 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccncc1C(F)(F)F ZINC000504960725 913701056 /nfs/dbraw/zinc/70/10/56/913701056.db2.gz BPHYSEWMBICUHY-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000477824351 892889357 /nfs/dbraw/zinc/88/93/57/892889357.db2.gz VDMIUEZLEUKBBH-BPUTZDHNSA-N -1 1 405.292 4.322 20 0 HIADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000477836147 892897091 /nfs/dbraw/zinc/89/70/91/892897091.db2.gz COLZRVPDXFRSJO-WQVCFCJDSA-N -1 1 405.292 4.322 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccncc4)no3)cc2)cc1C ZINC000504985135 913730663 /nfs/dbraw/zinc/73/06/63/913730663.db2.gz DAXRIKXSYYJHIP-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM C[C@@H]1CCCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000478048318 893195322 /nfs/dbraw/zinc/19/53/22/893195322.db2.gz UTGXTUHOTLIDTR-CQSZACIVSA-N -1 1 408.470 4.028 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCC(C)(C)C3)c2)cc1 ZINC000478216652 893375195 /nfs/dbraw/zinc/37/51/95/893375195.db2.gz RXFMRSGXZTZJJY-GOSISDBHSA-N -1 1 416.543 4.147 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1Cc2ccccc2S1 ZINC000478459145 893780118 /nfs/dbraw/zinc/78/01/18/893780118.db2.gz NQPMDRBYEUCGAU-FQEVSTJZSA-N -1 1 410.520 4.143 20 0 HIADMM Cc1ccc(C)c(OCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000478532155 893834528 /nfs/dbraw/zinc/83/45/28/893834528.db2.gz YPXWYDZTMOVXAV-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM C[C@@H](CN(C)C(=O)c1c2c(nc3ccccc31)C(=Cc1ccccc1)CC2)c1nn[n-]n1 ZINC000478603898 893869926 /nfs/dbraw/zinc/86/99/26/893869926.db2.gz TZZDOGLOIDXYCM-KXGFGANYSA-N -1 1 424.508 4.110 20 0 HIADMM CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2C1 ZINC000478605080 893870633 /nfs/dbraw/zinc/87/06/33/893870633.db2.gz YYQAOVZPYAOGDN-CVEARBPZSA-N -1 1 420.561 4.165 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c(=O)[n-]1 ZINC000478629443 893884516 /nfs/dbraw/zinc/88/45/16/893884516.db2.gz YINXIWNRBVNPSZ-UHFFFAOYSA-N -1 1 410.543 4.033 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N(CC1CC1)C1CCC1 ZINC000478639218 893890789 /nfs/dbraw/zinc/89/07/89/893890789.db2.gz YICOKQSTMAVONZ-UHFFFAOYSA-N -1 1 420.481 4.170 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnc(C(C)C)nc3)cc2)c1C ZINC000478659280 893902354 /nfs/dbraw/zinc/90/23/54/893902354.db2.gz AHVDMVCONXVQBK-UHFFFAOYSA-N -1 1 424.526 4.270 20 0 HIADMM CSCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000479058932 894318626 /nfs/dbraw/zinc/31/86/26/894318626.db2.gz KMKYSUIXYZHGRO-UHFFFAOYSA-N -1 1 406.573 4.059 20 0 HIADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(C(F)(F)F)c1 ZINC000479074990 894340571 /nfs/dbraw/zinc/34/05/71/894340571.db2.gz IEOGQJJKFOAMMO-UHFFFAOYSA-N -1 1 401.435 4.182 20 0 HIADMM COc1ccc(NC(=O)N[C@H](C)c2oc3ccccc3c2C)cc1[N-]S(C)(=O)=O ZINC000479230449 894492420 /nfs/dbraw/zinc/49/24/20/894492420.db2.gz XMQIVKIBKCSPNR-CYBMUJFWSA-N -1 1 417.487 4.004 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1Br ZINC000479254879 894521189 /nfs/dbraw/zinc/52/11/89/894521189.db2.gz YWTFYLFMPYHGSO-UHFFFAOYSA-N -1 1 419.300 4.321 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](C)C(F)(F)F)cc2)cc1C ZINC000479379989 894681020 /nfs/dbraw/zinc/68/10/20/894681020.db2.gz MYNKZMGQEBYNBD-CQSZACIVSA-N -1 1 414.449 4.032 20 0 HIADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000479392379 894695678 /nfs/dbraw/zinc/69/56/78/894695678.db2.gz LNFCTEOBRDKABT-ORAYPTAESA-N -1 1 408.470 4.026 20 0 HIADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000479427769 894741361 /nfs/dbraw/zinc/74/13/61/894741361.db2.gz SQNBMFXVLUWCJP-IIBYNOLFSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479489829 894810929 /nfs/dbraw/zinc/81/09/29/894810929.db2.gz LNYPUHLDCRNXDZ-UHFFFAOYSA-N -1 1 403.529 4.390 20 0 HIADMM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000479491573 894812200 /nfs/dbraw/zinc/81/22/00/894812200.db2.gz SVIKVNHPVPTTMU-UHFFFAOYSA-N -1 1 408.278 4.349 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1NC(=O)c1ccco1 ZINC000479494648 894814051 /nfs/dbraw/zinc/81/40/51/894814051.db2.gz GYXWYWYOCNLJSJ-UHFFFAOYSA-N -1 1 413.480 4.251 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1)c1ccccc1 ZINC000479503958 894819529 /nfs/dbraw/zinc/81/95/29/894819529.db2.gz RFIBJAQOQRGVBM-UHFFFAOYSA-N -1 1 423.519 4.374 20 0 HIADMM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(C(F)(F)F)c3)ccc21 ZINC000479560154 894858089 /nfs/dbraw/zinc/85/80/89/894858089.db2.gz SZKABIYLVRFOSM-UHFFFAOYSA-N -1 1 420.796 4.087 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000479771394 895073528 /nfs/dbraw/zinc/07/35/28/895073528.db2.gz WJJJKVYXKRCHMW-SFHVURJKSA-N -1 1 416.525 4.112 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccn4)cc3)c3cccc1c23 ZINC000505299730 913959034 /nfs/dbraw/zinc/95/90/34/913959034.db2.gz LLYKIIFQCHIWPG-UHFFFAOYSA-N -1 1 417.446 4.394 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480195808 895592473 /nfs/dbraw/zinc/59/24/73/895592473.db2.gz VULATAUVWQTXII-UHFFFAOYSA-N -1 1 400.422 4.331 20 0 HIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2)n1 ZINC000480224784 895629189 /nfs/dbraw/zinc/62/91/89/895629189.db2.gz JVCRUTCCNIUZEZ-UHFFFAOYSA-N -1 1 407.417 4.358 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1Cl ZINC000480224204 895629761 /nfs/dbraw/zinc/62/97/61/895629761.db2.gz LPJAMXWXIIUETO-UHFFFAOYSA-N -1 1 406.813 4.204 20 0 HIADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc(Cl)c1F ZINC000480229762 895633588 /nfs/dbraw/zinc/63/35/88/895633588.db2.gz MBCDQIYGIYJJBU-UHFFFAOYSA-N -1 1 424.837 4.030 20 0 HIADMM CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000480458613 895845065 /nfs/dbraw/zinc/84/50/65/895845065.db2.gz AVAMTFGBPWNLRR-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CCCOc1ccc([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)cc1OC ZINC000480543482 895905742 /nfs/dbraw/zinc/90/57/42/895905742.db2.gz XSUHJRPDLQXJGB-GFCCVEGCSA-N -1 1 408.292 4.443 20 0 HIADMM Cc1nn(-c2ccccc2C)c2sc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc12 ZINC000480647321 896015248 /nfs/dbraw/zinc/01/52/48/896015248.db2.gz SXAZAYJRHNTAIO-UHFFFAOYSA-N -1 1 406.393 4.093 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1cc(Br)sc1Cl ZINC000480869201 896231574 /nfs/dbraw/zinc/23/15/74/896231574.db2.gz OIGLVDYGBGYMBH-SNVBAGLBSA-N -1 1 422.753 4.226 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)[C@H]1C ZINC000480938899 896287843 /nfs/dbraw/zinc/28/78/43/896287843.db2.gz RVSWYXNMTNJSQX-STQMWFEESA-N -1 1 410.898 4.150 20 0 HIADMM COc1cc(NC(=O)[C@@H](C)c2cccc(CC(C)C)c2)ccc1[N-]S(C)(=O)=O ZINC000505411567 914076379 /nfs/dbraw/zinc/07/63/79/914076379.db2.gz YQPXQHBUFOMYMW-HNNXBMFYSA-N -1 1 404.532 4.007 20 0 HIADMM Cc1cc2n[nH]cc2cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000481313958 896662357 /nfs/dbraw/zinc/66/23/57/896662357.db2.gz ZMHMOVGHWAWPBY-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C(F)F)cc2)c1 ZINC000505436671 914099475 /nfs/dbraw/zinc/09/94/75/914099475.db2.gz NYNXHJMYDIAUJR-SFHVURJKSA-N -1 1 422.497 4.364 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1-c1ncco1 ZINC000481590342 896970320 /nfs/dbraw/zinc/97/03/20/896970320.db2.gz BWJQOEVUVVBHEI-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM [O-]C(=Cc1c[nH]c2cc(Br)ccc12)Nc1nc(-c2ccsc2)ns1 ZINC000481797669 897175907 /nfs/dbraw/zinc/17/59/07/897175907.db2.gz RDRZJAQNPMOYJA-UHFFFAOYSA-N -1 1 419.329 4.114 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1Cl ZINC000481975800 897368942 /nfs/dbraw/zinc/36/89/42/897368942.db2.gz TXHQZROKCLDDLW-UHFFFAOYSA-N -1 1 415.902 4.470 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1Cl ZINC000481979400 897372837 /nfs/dbraw/zinc/37/28/37/897372837.db2.gz IHXFUTGXFUYFCI-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482556564 898147432 /nfs/dbraw/zinc/14/74/32/898147432.db2.gz RUCZHCPIGBEWIF-CQSZACIVSA-N -1 1 420.303 4.391 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)c1 ZINC000482586793 898183955 /nfs/dbraw/zinc/18/39/55/898183955.db2.gz ZZBWZDRTLMVNCQ-IBGZPJMESA-N -1 1 420.303 4.339 20 0 HIADMM COC(C)(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n1 ZINC000482592013 898191357 /nfs/dbraw/zinc/19/13/57/898191357.db2.gz MCFIVYASHLXDRF-UHFFFAOYSA-N -1 1 401.488 4.036 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000482636211 898240167 /nfs/dbraw/zinc/24/01/67/898240167.db2.gz IBVZANKKVOXIDR-OAHLLOKOSA-N -1 1 406.276 4.273 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@H]3CCC(F)(F)C3)no2)cc1)c1ccccc1 ZINC000482702037 898302541 /nfs/dbraw/zinc/30/25/41/898302541.db2.gz APHNHOOLEVVUTH-AWEZNQCLSA-N -1 1 405.426 4.440 20 0 HIADMM COc1ccc(CCC(=O)Nc2cc(C)cc(Br)c2[O-])c(OC)c1OC ZINC000482733091 898335276 /nfs/dbraw/zinc/33/52/76/898335276.db2.gz DIQYERHLQWYXPB-UHFFFAOYSA-N -1 1 424.291 4.060 20 0 HIADMM CC[C@@H](C)n1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000482783496 898392795 /nfs/dbraw/zinc/39/27/95/898392795.db2.gz BHTYDQTVUYWXIQ-OAHLLOKOSA-N -1 1 412.515 4.216 20 0 HIADMM COc1cc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1[N-]S(C)(=O)=O ZINC000505631731 914330498 /nfs/dbraw/zinc/33/04/98/914330498.db2.gz NTEWVPFLQVVBFU-DELCKGKKSA-N -1 1 406.548 4.002 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)ccc1Br ZINC000484085387 899717741 /nfs/dbraw/zinc/71/77/41/899717741.db2.gz CNSGLBCOWLUXOS-UHFFFAOYSA-N -1 1 407.289 4.254 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1C ZINC000484114033 899738055 /nfs/dbraw/zinc/73/80/55/899738055.db2.gz VSGSJSZBJXSEPH-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)cc(OC)c1C(C)C ZINC000484187276 899802793 /nfs/dbraw/zinc/80/27/93/899802793.db2.gz GTHYMGHCAYTYHY-UHFFFAOYSA-N -1 1 414.321 4.391 20 0 HIADMM O=C(Nc1ncc(Cc2ccccc2F)s1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000484268875 899842555 /nfs/dbraw/zinc/84/25/55/899842555.db2.gz PNYLZGXZMUTQLH-UHFFFAOYSA-N -1 1 406.442 4.079 20 0 HIADMM CCc1ccc(N(C(C)=O)c2nc(CSc3nc(C(=O)OC)c[n-]3)cs2)cc1 ZINC000484563678 900036596 /nfs/dbraw/zinc/03/65/96/900036596.db2.gz NNABHGNQVJAZDS-UHFFFAOYSA-N -1 1 416.528 4.192 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000484632642 900083643 /nfs/dbraw/zinc/08/36/43/900083643.db2.gz YSVAOIRERWNYIL-UHFFFAOYSA-N -1 1 420.874 4.133 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1C ZINC000484671027 900113383 /nfs/dbraw/zinc/11/33/83/900113383.db2.gz QVDNXROLIVOTTP-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1csc(-c2c(F)cccc2F)n1 ZINC000484962684 900326257 /nfs/dbraw/zinc/32/62/57/900326257.db2.gz POCDYNSQQJZAQI-UHFFFAOYSA-N -1 1 406.361 4.297 20 0 HIADMM Cc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)sc1C ZINC000485022975 900368398 /nfs/dbraw/zinc/36/83/98/900368398.db2.gz HZKLJCPHTQIKRA-UHFFFAOYSA-N -1 1 423.466 4.091 20 0 HIADMM CC[C@H](C)Oc1ccc(NS(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cc1 ZINC000485291774 900568906 /nfs/dbraw/zinc/56/89/06/900568906.db2.gz NPZSIECTTKYTOZ-NSHDSACASA-N -1 1 413.879 4.025 20 0 HIADMM CC(C)(C)C[C@H](O)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000485422126 900720072 /nfs/dbraw/zinc/72/00/72/900720072.db2.gz NXCCCGKTLKAJOK-QGZVFWFLSA-N -1 1 424.950 4.267 20 0 HIADMM CO[C@](C)(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1CC1 ZINC000485425280 900723766 /nfs/dbraw/zinc/72/37/66/900723766.db2.gz BXLSEWFNGLHURR-FQEVSTJZSA-N -1 1 422.934 4.203 20 0 HIADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1ccc2ncsc2c1 ZINC000485663724 900914232 /nfs/dbraw/zinc/91/42/32/900914232.db2.gz BWMOSZQHGGEZBQ-SECBINFHSA-N -1 1 424.263 4.098 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc(-c2cccs2)c1 ZINC000505849346 914498292 /nfs/dbraw/zinc/49/82/92/914498292.db2.gz HWWKDNPVYWNBBM-UHFFFAOYSA-N -1 1 402.479 4.050 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCCCCC(=O)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000485828196 901074571 /nfs/dbraw/zinc/07/45/71/901074571.db2.gz HIXWNNQCFGQREP-KRWDZBQOSA-N -1 1 414.527 4.274 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(C)(C)CCCc1ccccc1 ZINC000505862728 914508207 /nfs/dbraw/zinc/50/82/07/914508207.db2.gz NVONQEBIDUTMHY-UHFFFAOYSA-N -1 1 418.541 4.260 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)ccc1Br ZINC000486086071 901275594 /nfs/dbraw/zinc/27/55/94/901275594.db2.gz BOYHFPAHSGEZFH-UHFFFAOYSA-N -1 1 424.316 4.241 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1)C1CCC1 ZINC000486108737 901295020 /nfs/dbraw/zinc/29/50/20/901295020.db2.gz MNLZEUVLFDDDEB-UHFFFAOYSA-N -1 1 413.417 4.411 20 0 HIADMM C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc2)C1 ZINC000486153617 901341211 /nfs/dbraw/zinc/34/12/11/901341211.db2.gz FTZCHGKFLAPJDF-ZDUSSCGKSA-N -1 1 423.922 4.110 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3cccs3)c2)o1 ZINC000505888423 914532245 /nfs/dbraw/zinc/53/22/45/914532245.db2.gz QHLIQTOGNURMGS-UHFFFAOYSA-N -1 1 404.513 4.337 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCCOCC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000486364859 901534087 /nfs/dbraw/zinc/53/40/87/901534087.db2.gz CMHIPKSUTZPOKW-HNNXBMFYSA-N -1 1 422.934 4.204 20 0 HIADMM CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H](C)c1cccnc1 ZINC000486465690 901625517 /nfs/dbraw/zinc/62/55/17/901625517.db2.gz XVDIZGRKFPHLMR-GFCCVEGCSA-N -1 1 400.276 4.321 20 0 HIADMM COc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)cc1[N-]S(C)(=O)=O ZINC000486622090 901757419 /nfs/dbraw/zinc/75/74/19/901757419.db2.gz ZTUREYVFMQJUTC-GOSISDBHSA-N -1 1 410.923 4.098 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N[C@H]2CCCC(F)(F)C2)nc1 ZINC000486885889 901932565 /nfs/dbraw/zinc/93/25/65/901932565.db2.gz OFNWTCXNMPCDAO-LBPRGKRZSA-N -1 1 403.401 4.150 20 0 HIADMM Cc1cscc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000486987481 902003480 /nfs/dbraw/zinc/00/34/80/902003480.db2.gz OAWLJGUHDFUEHY-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c(=O)[n-]1 ZINC000487265697 902127146 /nfs/dbraw/zinc/12/71/46/902127146.db2.gz NUGOZLMQOOBSEL-ZCNNSNEGSA-N -1 1 411.571 4.330 20 0 HIADMM O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)ccc1F ZINC000488232696 902709365 /nfs/dbraw/zinc/70/93/65/902709365.db2.gz OABVJTANQSGDNK-UHFFFAOYSA-N -1 1 413.854 4.157 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000488234390 902711226 /nfs/dbraw/zinc/71/12/26/902711226.db2.gz PRBWCXRLLRMILS-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C ZINC000488296861 902759080 /nfs/dbraw/zinc/75/90/80/902759080.db2.gz JYQWJRAGWZYODV-MRXNPFEDSA-N -1 1 400.544 4.230 20 0 HIADMM CCc1cccnc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000505990833 914658113 /nfs/dbraw/zinc/65/81/13/914658113.db2.gz PVKKRHXGODZYGL-UHFFFAOYSA-N -1 1 415.902 4.351 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)o1 ZINC000488876150 903054657 /nfs/dbraw/zinc/05/46/57/903054657.db2.gz XPMYYVWPQRUTBE-KRWDZBQOSA-N -1 1 410.511 4.013 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2c(F)cccc2F)cc1 ZINC000488969514 903100834 /nfs/dbraw/zinc/10/08/34/903100834.db2.gz AVSINNDRAZFQDX-UHFFFAOYSA-N -1 1 416.449 4.415 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccc3-c3c(F)cccc3F)ccc2[nH]1 ZINC000488982456 903104666 /nfs/dbraw/zinc/10/46/66/903104666.db2.gz MWRRGODRCSLJCT-UHFFFAOYSA-N -1 1 412.417 4.274 20 0 HIADMM CSC[C@H]1CCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000489308762 903323981 /nfs/dbraw/zinc/32/39/81/903323981.db2.gz VWIBRQUQHKBTKU-LJQANCHMSA-N -1 1 418.584 4.072 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)ccc1Cl ZINC000489695567 903544417 /nfs/dbraw/zinc/54/44/17/903544417.db2.gz KTQZDTNYDFKOAO-UHFFFAOYSA-N -1 1 406.895 4.030 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc([C@H]4C[C@@H]4C)[nH]n3)cc2)cc1C ZINC000490258339 903857981 /nfs/dbraw/zinc/85/79/81/903857981.db2.gz LUMYOQWVOACLQT-KXBFYZLASA-N -1 1 424.526 4.203 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@@H](C)c2nc(-c3cccs3)no2)nc1-c1ccccc1 ZINC000490417200 903997496 /nfs/dbraw/zinc/99/74/96/903997496.db2.gz NQYPNIKHDDBSIW-LBPRGKRZSA-N -1 1 400.485 4.032 20 0 HIADMM CSC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCC1 ZINC000490424845 904001915 /nfs/dbraw/zinc/00/19/15/904001915.db2.gz VPWHORBNTBSQNS-UHFFFAOYSA-N -1 1 410.948 4.365 20 0 HIADMM CC(C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cc(C(F)(F)F)on1 ZINC000490479691 904034160 /nfs/dbraw/zinc/03/41/60/904034160.db2.gz YMAQZRVLCQLPCA-UHFFFAOYSA-N -1 1 409.238 4.275 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cccc(Cl)c1Br ZINC000491591979 904666306 /nfs/dbraw/zinc/66/63/06/904666306.db2.gz QCTGTVNHVLBXAX-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)cc1 ZINC000491716746 904685900 /nfs/dbraw/zinc/68/59/00/904685900.db2.gz FCCIAYONBXYAPV-UHFFFAOYSA-N -1 1 403.262 4.060 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccccc1-c1c(F)cccc1F ZINC000494520523 905810989 /nfs/dbraw/zinc/81/09/89/905810989.db2.gz BLODZRAZERYQCS-UHFFFAOYSA-N -1 1 408.408 4.178 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)cc(Cl)c1[O-] ZINC000495020358 906179618 /nfs/dbraw/zinc/17/96/18/906179618.db2.gz UFWIXHAMKSGKOC-UHFFFAOYSA-N -1 1 407.804 4.469 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)o1 ZINC000512536361 921221468 /nfs/dbraw/zinc/22/14/68/921221468.db2.gz QSRNJIVQQSQOCC-UHFFFAOYSA-N -1 1 422.915 4.245 20 0 HIADMM Cc1nc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cs1 ZINC000495456998 906462871 /nfs/dbraw/zinc/46/28/71/906462871.db2.gz NMJZUYOVCQHPPZ-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000497082192 906801656 /nfs/dbraw/zinc/80/16/56/906801656.db2.gz RZXREQQJPBLXSC-UHFFFAOYSA-N -1 1 409.858 4.065 20 0 HIADMM O=C(CCc1nccs1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000512630024 921267967 /nfs/dbraw/zinc/26/79/67/921267967.db2.gz LFBATEUPNQJCKC-UHFFFAOYSA-N -1 1 421.931 4.169 20 0 HIADMM C[C@@H](C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C(C)(F)F ZINC000497108014 906806830 /nfs/dbraw/zinc/80/68/30/906806830.db2.gz LLUFBOFVUPUUTB-JTQLQIEISA-N -1 1 418.849 4.076 20 0 HIADMM CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000497434330 906905678 /nfs/dbraw/zinc/90/56/78/906905678.db2.gz GWHGNZDBOFKBLY-UHFFFAOYSA-N -1 1 404.532 4.195 20 0 HIADMM O=C(Nc1ccc2ccccc2n1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000497500528 906987310 /nfs/dbraw/zinc/98/73/10/906987310.db2.gz NKMMLJSMPJATPW-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1Cl ZINC000512733486 921298825 /nfs/dbraw/zinc/29/88/25/921298825.db2.gz LOSFQZKWUQZTRS-UHFFFAOYSA-N -1 1 416.886 4.283 20 0 HIADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000512752548 921301851 /nfs/dbraw/zinc/30/18/51/921301851.db2.gz OTXONXCGZSEDMT-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000498007997 907498084 /nfs/dbraw/zinc/49/80/84/907498084.db2.gz DXYZBDKGOIRGSY-UHFFFAOYSA-N -1 1 424.238 4.499 20 0 HIADMM CC(C)(NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1nccs1 ZINC000498213255 907743947 /nfs/dbraw/zinc/74/39/47/907743947.db2.gz DCXPNZORJURZBY-UHFFFAOYSA-N -1 1 416.528 4.001 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000498290766 907822272 /nfs/dbraw/zinc/82/22/72/907822272.db2.gz LNNGHHRGCCCGDW-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM Cc1cc(SC2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000498402274 907883010 /nfs/dbraw/zinc/88/30/10/907883010.db2.gz CBQLMUGFGZTKBB-UHFFFAOYSA-N -1 1 404.557 4.320 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(CC)CC)cc2)cc1 ZINC000498679760 908109164 /nfs/dbraw/zinc/10/91/64/908109164.db2.gz HOROLBCOJGTNCE-UHFFFAOYSA-N -1 1 404.532 4.195 20 0 HIADMM CCCN(CC(F)F)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000498726809 908154153 /nfs/dbraw/zinc/15/41/53/908154153.db2.gz OGODSFWZLFTHEB-UHFFFAOYSA-N -1 1 414.449 4.052 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)c2)cc1 ZINC000499140400 908497134 /nfs/dbraw/zinc/49/71/34/908497134.db2.gz VUSZPBUFBYUGFU-GCKMJXCFSA-N -1 1 416.543 4.051 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)c2)cc1 ZINC000499140401 908497494 /nfs/dbraw/zinc/49/74/94/908497494.db2.gz VUSZPBUFBYUGFU-VWKPWSFCSA-N -1 1 416.543 4.051 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000499202645 908555914 /nfs/dbraw/zinc/55/59/14/908555914.db2.gz NLGFRPCGLLFSIK-GFCCVEGCSA-N -1 1 413.465 4.384 20 0 HIADMM CCCN(CC(C)C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000499669291 908871945 /nfs/dbraw/zinc/87/19/45/908871945.db2.gz MOGHQTRRHDPDAN-UHFFFAOYSA-N -1 1 406.523 4.443 20 0 HIADMM Cc1ncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)s1 ZINC000499814949 908945288 /nfs/dbraw/zinc/94/52/88/908945288.db2.gz SEDJUIBZGAKWMU-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM CCCN(CC(C)C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000500161749 909641651 /nfs/dbraw/zinc/64/16/51/909641651.db2.gz JHJVXUXUESUWHT-UHFFFAOYSA-N -1 1 410.486 4.274 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1)c1ccoc1 ZINC000500353220 909807846 /nfs/dbraw/zinc/80/78/46/909807846.db2.gz FTTDZSBKUHPLOJ-UHFFFAOYSA-N -1 1 411.414 4.020 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@](C)(F)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000500584252 909946740 /nfs/dbraw/zinc/94/67/40/909946740.db2.gz DZVGYSQJQPNEIL-IBGZPJMESA-N -1 1 410.898 4.023 20 0 HIADMM CC(C)(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(F)cc1 ZINC000500761521 910066013 /nfs/dbraw/zinc/06/60/13/910066013.db2.gz IKGUCPKYLMCVNM-MRXNPFEDSA-N -1 1 424.538 4.403 20 0 HIADMM O=C(NC1CC(c2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000500948979 910201739 /nfs/dbraw/zinc/20/17/39/910201739.db2.gz SZJRXBXGHOLHKO-UHFFFAOYSA-N -1 1 406.507 4.163 20 0 HIADMM Cc1nc(C[N-]S(=O)(=O)Cc2c(F)cccc2F)oc1-c1ccc(Cl)cc1 ZINC000501019711 910237631 /nfs/dbraw/zinc/23/76/31/910237631.db2.gz BCIXUDPALSVMIM-UHFFFAOYSA-N -1 1 412.845 4.201 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1 ZINC000501630587 910727241 /nfs/dbraw/zinc/72/72/41/910727241.db2.gz PJSUNSOJYQBLRB-CRAIPNDOSA-N -1 1 400.544 4.222 20 0 HIADMM O=C(NCC1CCC(F)(F)CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000501830095 910871078 /nfs/dbraw/zinc/87/10/78/910871078.db2.gz NRRFUAUAEKTSEE-UHFFFAOYSA-N -1 1 408.470 4.043 20 0 HIADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC000501837634 910879514 /nfs/dbraw/zinc/87/95/14/910879514.db2.gz BNOMLLCMDISXEY-UHFFFAOYSA-N -1 1 402.472 4.103 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000502352637 911331554 /nfs/dbraw/zinc/33/15/54/911331554.db2.gz IJRRTPBKUOADSE-SJORKVTESA-N -1 1 416.543 4.004 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000502352634 911332138 /nfs/dbraw/zinc/33/21/38/911332138.db2.gz IJRRTPBKUOADSE-IRXDYDNUSA-N -1 1 416.543 4.004 20 0 HIADMM CC(=O)c1c(C)oc2ncnc([N-]c3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)c21 ZINC000502740980 911764705 /nfs/dbraw/zinc/76/47/05/911764705.db2.gz UETSMWUXTVFFHN-UHFFFAOYSA-N -1 1 419.466 4.486 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC2(C1)CCCCC2 ZINC000503136462 912097241 /nfs/dbraw/zinc/09/72/41/912097241.db2.gz FPQKMJROBQTZDB-UHFFFAOYSA-N -1 1 402.491 4.033 20 0 HIADMM CC(C)(C)c1nnc([N-]C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)s1 ZINC000503135799 912097527 /nfs/dbraw/zinc/09/75/27/912097527.db2.gz DDYLMKJERMDBGD-UHFFFAOYSA-N -1 1 410.528 4.397 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000506798356 915535771 /nfs/dbraw/zinc/53/57/71/915535771.db2.gz RREPULRNOXGYEA-UHFFFAOYSA-N -1 1 415.486 4.394 20 0 HIADMM CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000506848004 915627779 /nfs/dbraw/zinc/62/77/79/915627779.db2.gz DCSCEHBYCJKLCX-UHFFFAOYSA-N -1 1 404.923 4.164 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1cc(Br)cc(C(F)(F)F)c1 ZINC000507008725 915818820 /nfs/dbraw/zinc/81/88/20/915818820.db2.gz SAHNUTZGBOSSLZ-UHFFFAOYSA-N -1 1 422.222 4.299 20 0 HIADMM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)c1sccc1Br ZINC000507525857 916285411 /nfs/dbraw/zinc/28/54/11/916285411.db2.gz DDXAYHDWFIOZRR-LBPRGKRZSA-N -1 1 415.359 4.035 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)CC(C)(C)O4)ccc21 ZINC000507587271 916341311 /nfs/dbraw/zinc/34/13/11/916341311.db2.gz WFFKBUKKALPHKZ-UHFFFAOYSA-N -1 1 413.499 4.162 20 0 HIADMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3ccc(F)c(C(C)=O)c3)ccc2s1 ZINC000507598728 916352187 /nfs/dbraw/zinc/35/21/87/916352187.db2.gz VZYZTAATCVLMEA-UHFFFAOYSA-N -1 1 421.471 4.221 20 0 HIADMM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000507909158 916779640 /nfs/dbraw/zinc/77/96/40/916779640.db2.gz PNBVOSDSYZDVEF-UHFFFAOYSA-N -1 1 405.289 4.124 20 0 HIADMM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)c2)n1 ZINC000507948238 916811702 /nfs/dbraw/zinc/81/17/02/916811702.db2.gz IEIYIUZOBPACLV-UHFFFAOYSA-N -1 1 418.522 4.411 20 0 HIADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000508216153 917034301 /nfs/dbraw/zinc/03/43/01/917034301.db2.gz RRKKUFPMELWNCF-JOCHJYFZSA-N -1 1 424.497 4.352 20 0 HIADMM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCO1 ZINC000508529558 917312904 /nfs/dbraw/zinc/31/29/04/917312904.db2.gz UQGNNKYXGJERJT-KBXCAEBGSA-N -1 1 422.934 4.285 20 0 HIADMM CC[C@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCO1 ZINC000508529560 917312934 /nfs/dbraw/zinc/31/29/34/917312934.db2.gz UQGNNKYXGJERJT-KSSFIOAISA-N -1 1 422.934 4.285 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nc(CCC(C)(C)C)no1 ZINC000508599037 917369196 /nfs/dbraw/zinc/36/91/96/917369196.db2.gz KLAZWGDUAIDRGH-LLVKDONJSA-N -1 1 405.442 4.107 20 0 HIADMM COc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000508933038 917691670 /nfs/dbraw/zinc/69/16/70/917691670.db2.gz IYLFBQWCVRDJHJ-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2c(Cl)cccc2Br)cc1OC ZINC000509073836 917818592 /nfs/dbraw/zinc/81/85/92/917818592.db2.gz DKJGMNYJLRJFHO-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C(F)(F)F)c1 ZINC000509089760 917831624 /nfs/dbraw/zinc/83/16/24/917831624.db2.gz NKMXXPCGWNHDGQ-UHFFFAOYSA-N -1 1 413.446 4.414 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 ZINC000509103248 917842569 /nfs/dbraw/zinc/84/25/69/917842569.db2.gz MRNDHZMBJXVTGI-OAHLLOKOSA-N -1 1 404.557 4.224 20 0 HIADMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1 ZINC000509102930 917842635 /nfs/dbraw/zinc/84/26/35/917842635.db2.gz LAUOXONHYWMDSX-UHFFFAOYSA-N -1 1 410.421 4.093 20 0 HIADMM Cc1oc(C(C)C)cc1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000509225572 917922755 /nfs/dbraw/zinc/92/27/55/917922755.db2.gz IKZKMQIQCAKURV-UHFFFAOYSA-N -1 1 412.511 4.442 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)nc1 ZINC000509382101 918047957 /nfs/dbraw/zinc/04/79/57/918047957.db2.gz AAOWEQMMFZVUJO-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000509382905 918048147 /nfs/dbraw/zinc/04/81/47/918048147.db2.gz GDVRJABXVCATRO-UHFFFAOYSA-N -1 1 407.470 4.469 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000509390492 918056400 /nfs/dbraw/zinc/05/64/00/918056400.db2.gz IGMSUEVNZOCDEK-UHFFFAOYSA-N -1 1 406.813 4.340 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccc(OC)nc3)ccc2C)c1 ZINC000509398071 918063552 /nfs/dbraw/zinc/06/35/52/918063552.db2.gz ZKJCLLITWLJFEV-UHFFFAOYSA-N -1 1 410.495 4.459 20 0 HIADMM CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H](C)c1cccc(OC)c1 ZINC000509397874 918063775 /nfs/dbraw/zinc/06/37/75/918063775.db2.gz XTBSGPNTJFUAML-QGZVFWFLSA-N -1 1 420.513 4.104 20 0 HIADMM CO[C@@H](C)c1nc(=NCCCCSc2ccccc2Br)s[n-]1 ZINC000509541145 918190992 /nfs/dbraw/zinc/19/09/92/918190992.db2.gz OJAHNVWDGCAKBS-NSHDSACASA-N -1 1 402.383 4.414 20 0 HIADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(Oc4cccc(F)c4)cc3)cc12 ZINC000509581423 918230217 /nfs/dbraw/zinc/23/02/17/918230217.db2.gz CARQJOPHWWXSRQ-UHFFFAOYSA-N -1 1 412.446 4.009 20 0 HIADMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21 ZINC000509596371 918246682 /nfs/dbraw/zinc/24/66/82/918246682.db2.gz PRXWXWTUVGBZGU-UHFFFAOYSA-N -1 1 406.467 4.137 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000509777726 918389298 /nfs/dbraw/zinc/38/92/98/918389298.db2.gz ROWWBQHNXCUDSP-UHFFFAOYSA-N -1 1 424.932 4.233 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000509943500 918539079 /nfs/dbraw/zinc/53/90/79/918539079.db2.gz NXHPCJPWKILLEY-QFIPXVFZSA-N -1 1 414.509 4.164 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000509944623 918540749 /nfs/dbraw/zinc/54/07/49/918540749.db2.gz MNCRTJGGDJROOZ-UHFFFAOYSA-N -1 1 424.252 4.196 20 0 HIADMM CCOC(=O)c1c[n-]c(NC(=O)c2oc3ccccc3c2COc2ccccc2)n1 ZINC000510030506 918604743 /nfs/dbraw/zinc/60/47/43/918604743.db2.gz QQFVJRNUQZOIPJ-UHFFFAOYSA-N -1 1 405.410 4.164 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc(-c2nc3sc4ccccc4c3c(=O)[n-]2)cc1 ZINC000510239935 918777070 /nfs/dbraw/zinc/77/70/70/918777070.db2.gz RQXDKTKUSYYULM-UHFFFAOYSA-N -1 1 413.524 4.248 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1sccc1Cl ZINC000510832489 919313389 /nfs/dbraw/zinc/31/33/89/919313389.db2.gz YRHNICYRZQKTHF-UHFFFAOYSA-N -1 1 420.943 4.475 20 0 HIADMM Cc1ccc([C@@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c2ccccc2)cc1 ZINC000511012252 919580026 /nfs/dbraw/zinc/58/00/26/919580026.db2.gz OCOVGZJUWRDWLS-VWLOTQADSA-N -1 1 414.509 4.199 20 0 HIADMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)ccc21 ZINC000511151567 919772951 /nfs/dbraw/zinc/77/29/51/919772951.db2.gz UWOAOPUXUTVBMK-UHFFFAOYSA-N -1 1 421.522 4.317 20 0 HIADMM CN(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000511154884 919774828 /nfs/dbraw/zinc/77/48/28/919774828.db2.gz KXGJQYJVEVQENL-UHFFFAOYSA-N -1 1 414.914 4.346 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cncc2ccccc21 ZINC000511235953 919841706 /nfs/dbraw/zinc/84/17/06/919841706.db2.gz SMSWFGTWOGAIGD-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000511236474 919841724 /nfs/dbraw/zinc/84/17/24/919841724.db2.gz SKPMWGVLDZFBTB-UHFFFAOYSA-N -1 1 420.840 4.299 20 0 HIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(Br)cc2C)c1C ZINC000511241084 919844500 /nfs/dbraw/zinc/84/45/00/919844500.db2.gz OENGYGVNNDSBRX-UHFFFAOYSA-N -1 1 411.321 4.134 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)c(Br)c1 ZINC000511279243 919875838 /nfs/dbraw/zinc/87/58/38/919875838.db2.gz HWCLJKARJCIVBR-UHFFFAOYSA-N -1 1 412.305 4.380 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000511879211 920613049 /nfs/dbraw/zinc/61/30/49/920613049.db2.gz JQLSWWLCPMOSMS-UHFFFAOYSA-N -1 1 406.873 4.302 20 0 HIADMM CN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000512018981 920791828 /nfs/dbraw/zinc/79/18/28/920791828.db2.gz TZNRWJBGGLZZQF-PBHICJAKSA-N -1 1 418.419 4.101 20 0 HIADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)c2=O ZINC000512032668 920805432 /nfs/dbraw/zinc/80/54/32/920805432.db2.gz IGKSJBPZLDJIIV-INIZCTEOSA-N -1 1 404.392 4.060 20 0 HIADMM Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1cccc([O-])c1Cl ZINC000512304991 921059822 /nfs/dbraw/zinc/05/98/22/921059822.db2.gz AJNUPQUPMNPIDZ-HXUWFJFHSA-N -1 1 411.933 4.481 20 0 HIADMM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513720760 922040676 /nfs/dbraw/zinc/04/06/76/922040676.db2.gz ONYWXSPTSPRYQE-UTKZUKDTSA-N -1 1 416.543 4.267 20 0 HIADMM C[C@H]1CCCC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000514641063 922741734 /nfs/dbraw/zinc/74/17/34/922741734.db2.gz BWEAKCHHYPMXFP-ORAYPTAESA-N -1 1 408.470 4.074 20 0 HIADMM COc1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000515002489 922874149 /nfs/dbraw/zinc/87/41/49/922874149.db2.gz WLASVZGMVWOFKW-UHFFFAOYSA-N -1 1 416.524 4.356 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccsc3)cc2)cc1C ZINC000515212988 922996839 /nfs/dbraw/zinc/99/68/39/922996839.db2.gz GSMSKUFPEPCMNR-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000515390181 923077021 /nfs/dbraw/zinc/07/70/21/923077021.db2.gz KEAQLYPJBSJGCO-ZDUSSCGKSA-N -1 1 403.059 4.404 20 0 HIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)c2)n1 ZINC000515635046 923235497 /nfs/dbraw/zinc/23/54/97/923235497.db2.gz AFLXTGGWQYJZLJ-UHFFFAOYSA-N -1 1 411.405 4.189 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1C ZINC000515695882 923279003 /nfs/dbraw/zinc/27/90/03/923279003.db2.gz XKNGQMUBVWKQQL-QGZVFWFLSA-N -1 1 416.543 4.127 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000515844570 923389764 /nfs/dbraw/zinc/38/97/64/923389764.db2.gz IAUHDUHZMNXZOE-UHFFFAOYSA-N -1 1 408.838 4.434 20 0 HIADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1 ZINC000515966869 923466838 /nfs/dbraw/zinc/46/68/38/923466838.db2.gz GTXYVSPJZYIKJZ-FOIQADDNSA-N -1 1 410.495 4.134 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(F)(F)[C@@H](C)C3)c2)c1 ZINC000516123914 923558533 /nfs/dbraw/zinc/55/85/33/923558533.db2.gz UKFOBBIVXXGXPN-INIZCTEOSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N([C@@H](C)C(C)C)C2CC2)cc1 ZINC000516763417 923880855 /nfs/dbraw/zinc/88/08/55/923880855.db2.gz UHPZIRGASQIHMI-KRWDZBQOSA-N -1 1 400.544 4.445 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c2cccnc12 ZINC000516769534 923882265 /nfs/dbraw/zinc/88/22/65/923882265.db2.gz CTIXPBCWTLELNU-UHFFFAOYSA-N -1 1 411.405 4.018 20 0 HIADMM CCOc1ccc(-c2nc(CC(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cs2)cc1 ZINC000517248804 924059806 /nfs/dbraw/zinc/05/98/06/924059806.db2.gz CTAVHTBDKNYATJ-UHFFFAOYSA-N -1 1 420.494 4.486 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000517457932 924203450 /nfs/dbraw/zinc/20/34/50/924203450.db2.gz PRJRNBRDWFWZQX-UZLBHIALSA-N -1 1 424.522 4.442 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)c2ccccc2n1C ZINC000517596391 926704927 /nfs/dbraw/zinc/70/49/27/926704927.db2.gz QYZRPLAXQRZSEP-UHFFFAOYSA-N -1 1 414.527 4.154 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2C[C@H](C)O[C@@H](C)C2)ccc1OC(C)C ZINC000517611693 926719510 /nfs/dbraw/zinc/71/95/10/926719510.db2.gz SRDVDQOSLQLUHK-ROUUACIJSA-N -1 1 418.559 4.197 20 0 HIADMM CCC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000517678022 926783265 /nfs/dbraw/zinc/78/32/65/926783265.db2.gz QBSOZIOHEZOKJO-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM O=C(NC[C@H]1CCc2ccccc21)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000517700960 926801386 /nfs/dbraw/zinc/80/13/86/926801386.db2.gz CJZBRIXXROMVFL-GOSISDBHSA-N -1 1 424.497 4.086 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2C(F)(F)F)cc1 ZINC000517896939 926880472 /nfs/dbraw/zinc/88/04/72/926880472.db2.gz IHQZRMLWDWZRNV-CYBMUJFWSA-N -1 1 417.449 4.391 20 0 HIADMM O=S(=O)([N-]Cc1ccc(-c2nc3ccccc3s2)o1)c1cc(F)c(F)cc1F ZINC000517962787 926905678 /nfs/dbraw/zinc/90/56/78/926905678.db2.gz ZGHBWLFEQJJLGC-UHFFFAOYSA-N -1 1 424.425 4.452 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3Cc4ccccc4C3)cc2)cc1C ZINC000518504058 927313836 /nfs/dbraw/zinc/31/38/36/927313836.db2.gz BPHDAJLTAZDHCO-UHFFFAOYSA-N -1 1 406.507 4.260 20 0 HIADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000518604390 927374274 /nfs/dbraw/zinc/37/42/74/927374274.db2.gz XQROAXQCYKMRQQ-DLBZAZTESA-N -1 1 410.898 4.070 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H]3C(C)C)c2)c1 ZINC000518793127 927494639 /nfs/dbraw/zinc/49/46/39/927494639.db2.gz IAZDVOXBVMWMQZ-FQEVSTJZSA-N -1 1 400.544 4.365 20 0 HIADMM CC(C)[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000518793918 927496426 /nfs/dbraw/zinc/49/64/26/927496426.db2.gz LSDXQNGYLPPQLT-IBGZPJMESA-N -1 1 406.935 4.401 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc1 ZINC000518990564 927679594 /nfs/dbraw/zinc/67/95/94/927679594.db2.gz FQNAZFZUCAJEBU-HNNXBMFYSA-N -1 1 406.523 4.442 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(C)c(Cl)c3)cc2C[C@H]1C ZINC000519059825 927738152 /nfs/dbraw/zinc/73/81/52/927738152.db2.gz WHALRRDZCGSHFM-SNVBAGLBSA-N -1 1 413.326 4.400 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000519061695 927740439 /nfs/dbraw/zinc/74/04/39/927740439.db2.gz FJZWRRPZGNAYDZ-UHFFFAOYSA-N -1 1 424.522 4.206 20 0 HIADMM CC[C@@H]1CCc2c(sc3nc(-c4ccc(OCC(=O)N(C)C)cc4)[n-]c(=O)c32)C1 ZINC000519321827 927879924 /nfs/dbraw/zinc/87/99/24/927879924.db2.gz CNQCFQUHQSPJFM-CYBMUJFWSA-N -1 1 411.527 4.046 20 0 HIADMM C[C@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)c2)C1 ZINC000519876636 928110339 /nfs/dbraw/zinc/11/03/39/928110339.db2.gz ZXKLICDDNKLSBQ-YOEHRIQHSA-N -1 1 416.499 4.430 20 0 HIADMM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000520017820 928241886 /nfs/dbraw/zinc/24/18/86/928241886.db2.gz RITYZPPHTPNGCH-QGZVFWFLSA-N -1 1 412.555 4.299 20 0 HIADMM CSC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000520186406 928375381 /nfs/dbraw/zinc/37/53/81/928375381.db2.gz LRDQPYZZIMKNHA-ZDUSSCGKSA-N -1 1 412.964 4.387 20 0 HIADMM O=S(=O)([N-]c1ccc(N2CCOCC2)c2ccncc12)c1ccc2ccccc2c1 ZINC000520280623 928443840 /nfs/dbraw/zinc/44/38/40/928443840.db2.gz OYVCDRBMOYGMNS-UHFFFAOYSA-N -1 1 419.506 4.025 20 0 HIADMM COc1ccccc1-c1cccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000520346242 928508014 /nfs/dbraw/zinc/50/80/14/928508014.db2.gz RNFIGDRGGCBUSJ-UHFFFAOYSA-N -1 1 410.495 4.294 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000520373246 928528252 /nfs/dbraw/zinc/52/82/52/928528252.db2.gz KCSPILTVCMMEHC-GOSISDBHSA-N -1 1 422.916 4.155 20 0 HIADMM Cc1ccsc1CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000520522914 928617638 /nfs/dbraw/zinc/61/76/38/928617638.db2.gz LHTDPQWFSBQBOD-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(Oc4cnccn4)c3)cc2)co1 ZINC000521058885 928966441 /nfs/dbraw/zinc/96/64/41/928966441.db2.gz LTWQDRWHXGFYTC-UHFFFAOYSA-N -1 1 408.439 4.033 20 0 HIADMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000521156820 929030421 /nfs/dbraw/zinc/03/04/21/929030421.db2.gz CRRYBYOOXUYFMT-ZHRRBRCNSA-N -1 1 406.507 4.151 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1F ZINC000521198286 929058116 /nfs/dbraw/zinc/05/81/16/929058116.db2.gz VIGQIULFEJXSSQ-UHFFFAOYSA-N -1 1 413.470 4.223 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)ccc1C(=O)NC(C)C ZINC000521263283 929088853 /nfs/dbraw/zinc/08/88/53/929088853.db2.gz CVUGVJYCYNOEST-UHFFFAOYSA-N -1 1 418.559 4.359 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c1C ZINC000521280394 929097283 /nfs/dbraw/zinc/09/72/83/929097283.db2.gz SJYWRHDJEPDGBA-UHFFFAOYSA-N -1 1 411.479 4.161 20 0 HIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2c(c1)COC2 ZINC000521897113 929543586 /nfs/dbraw/zinc/54/35/86/929543586.db2.gz MCVVIBXOHSYGTB-UHFFFAOYSA-N -1 1 412.433 4.137 20 0 HIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000521900917 929545907 /nfs/dbraw/zinc/54/59/07/929545907.db2.gz FQDJEKITPBXFCV-ROUUACIJSA-N -1 1 418.559 4.136 20 0 HIADMM CCC[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1cccc(C(F)(F)F)c1 ZINC000524706147 929805597 /nfs/dbraw/zinc/80/55/97/929805597.db2.gz GVWVFMQYHMBJFQ-QGZVFWFLSA-N -1 1 420.435 4.271 20 0 HIADMM Cc1ccc2oc(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2n1 ZINC000524707898 929806497 /nfs/dbraw/zinc/80/64/97/929806497.db2.gz JTLMMYIQMCXFEA-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM COc1ccc(Nc2nc(C(=O)[N-]c3nnc(C(F)(F)F)s3)cs2)cc1 ZINC000524866968 929865135 /nfs/dbraw/zinc/86/51/35/929865135.db2.gz YVMYUUJNMAOMOM-UHFFFAOYSA-N -1 1 401.395 4.018 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccc(NC(C)=O)c3)cc2)cc1 ZINC000524967120 929931784 /nfs/dbraw/zinc/93/17/84/929931784.db2.gz IRMSYHUUTVCXAP-UHFFFAOYSA-N -1 1 412.467 4.247 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cccc1C(=O)Nc1ccccc1 ZINC000525007139 929969451 /nfs/dbraw/zinc/96/94/51/929969451.db2.gz PSDBGHLRIGZSIW-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)ccc1C ZINC000525019272 929979098 /nfs/dbraw/zinc/97/90/98/929979098.db2.gz QITXGOIBACNVQQ-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM COc1cccc([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000525068316 930014723 /nfs/dbraw/zinc/01/47/23/930014723.db2.gz CPTZSFPKOKZJSB-MRXNPFEDSA-N -1 1 410.495 4.238 20 0 HIADMM O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525069283 930015668 /nfs/dbraw/zinc/01/56/68/930015668.db2.gz TYMLDVLRCSLLCD-JOCHJYFZSA-N -1 1 422.506 4.130 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)CCC[C@@H]3C)c2)cc1 ZINC000525103615 930038017 /nfs/dbraw/zinc/03/80/17/930038017.db2.gz NXMWLFYAHDHIRX-MSOLQXFVSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000525389711 930213110 /nfs/dbraw/zinc/21/31/10/930213110.db2.gz APMLOVSTGFOUQW-DZGCQCFKSA-N -1 1 406.935 4.320 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)[C@@H]3C)ccc2C)c1 ZINC000525608080 930360000 /nfs/dbraw/zinc/36/00/00/930360000.db2.gz HBKAJKKIIWSDCF-WMZOPIPTSA-N -1 1 400.544 4.365 20 0 HIADMM CC(C)SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000525867197 930472431 /nfs/dbraw/zinc/47/24/31/930472431.db2.gz PMOAUADDOFYWPT-UHFFFAOYSA-N -1 1 416.927 4.360 20 0 HIADMM COc1cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000525953134 930493824 /nfs/dbraw/zinc/49/38/24/930493824.db2.gz SAEUQTTZHCXABO-QGZVFWFLSA-N -1 1 405.878 4.175 20 0 HIADMM Cc1ccc(-c2ncccc2NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000527090478 930585121 /nfs/dbraw/zinc/58/51/21/930585121.db2.gz SOTQBTLFTQGZPL-UHFFFAOYSA-N -1 1 419.528 4.041 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(O)cc3)ccc2C)cc1 ZINC000530606559 930770704 /nfs/dbraw/zinc/77/07/04/930770704.db2.gz AKWNYMMSRIBTLE-UHFFFAOYSA-N -1 1 424.522 4.082 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1[N-]S(C)(=O)=O ZINC000530624337 930776852 /nfs/dbraw/zinc/77/68/52/930776852.db2.gz LAABHUADAFIZAO-FQEVSTJZSA-N -1 1 417.531 4.120 20 0 HIADMM Cc1ccc(C(=O)Nc2cc(F)ccc2O)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000530656506 930788627 /nfs/dbraw/zinc/78/86/27/930788627.db2.gz IEPJGDNBXJAQAK-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM CCc1ccc([C@@H](NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C(C)C)cc1 ZINC000531101841 930919813 /nfs/dbraw/zinc/91/98/13/930919813.db2.gz YCHODAVDFKNYQJ-FQEVSTJZSA-N -1 1 419.547 4.148 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(F)ccc3O)cc2)cc1C ZINC000531135238 930936468 /nfs/dbraw/zinc/93/64/68/930936468.db2.gz UEXMOPCWHUYFKL-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM O=C(CCC(F)(F)F)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000531351482 931027413 /nfs/dbraw/zinc/02/74/13/931027413.db2.gz HFVNEGLZDPZHBU-UHFFFAOYSA-N -1 1 422.812 4.127 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)c(Br)c1)c1ccc2c(c1)OCCCO2 ZINC000531527068 931092734 /nfs/dbraw/zinc/09/27/34/931092734.db2.gz HRGJGLMDYLMNHQ-UHFFFAOYSA-N -1 1 418.696 4.065 20 0 HIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccn(Cc3ccccc3)c2=O)c1Cl ZINC000531527093 931093279 /nfs/dbraw/zinc/09/32/79/931093279.db2.gz IKOBVPHTVQXKAR-UHFFFAOYSA-N -1 1 423.321 4.313 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1Br ZINC000533936749 932111414 /nfs/dbraw/zinc/11/14/14/932111414.db2.gz LZCFYRIIUPEACD-UHFFFAOYSA-N -1 1 416.247 4.372 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1Br ZINC000533953215 932126450 /nfs/dbraw/zinc/12/64/50/932126450.db2.gz NNFRXFZKOAQZJT-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000534002105 932184709 /nfs/dbraw/zinc/18/47/09/932184709.db2.gz ACUBSJXYRYNUKN-SNVBAGLBSA-N -1 1 414.358 4.199 20 0 HIADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1Cl ZINC000534206883 932331977 /nfs/dbraw/zinc/33/19/77/932331977.db2.gz BYKMEBXMMFADAN-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3NC3CCCCC3)ccc21 ZINC000534289679 932376167 /nfs/dbraw/zinc/37/61/67/932376167.db2.gz PQLYCUOICGHFRX-UHFFFAOYSA-N -1 1 413.543 4.141 20 0 HIADMM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000534401635 932425812 /nfs/dbraw/zinc/42/58/12/932425812.db2.gz NCPMDKBJSRIBHG-UHFFFAOYSA-N -1 1 414.955 4.137 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2Oc2cccc(C)c2)co1 ZINC000534415275 932434063 /nfs/dbraw/zinc/43/40/63/932434063.db2.gz ZSMRQQRWZQVXBF-UHFFFAOYSA-N -1 1 420.874 4.194 20 0 HIADMM COc1ccc(C[C@@H](C)C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000534653497 932625955 /nfs/dbraw/zinc/62/59/55/932625955.db2.gz SDYUWLMYIULWQF-QGZVFWFLSA-N -1 1 424.522 4.313 20 0 HIADMM CCc1onc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000534778965 932759541 /nfs/dbraw/zinc/75/95/41/932759541.db2.gz LLNLBBMLRGRKSN-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM CC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000534865579 932814089 /nfs/dbraw/zinc/81/40/89/932814089.db2.gz OHWUBXFEVGVLIK-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM CCc1noc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000535157484 932976005 /nfs/dbraw/zinc/97/60/05/932976005.db2.gz IXJVPUDSIIKCDM-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)cc1C ZINC000535345781 933084246 /nfs/dbraw/zinc/08/42/46/933084246.db2.gz PHPLKSIXSRTWEX-UHFFFAOYSA-N -1 1 415.540 4.090 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1OCC ZINC000535400544 933116889 /nfs/dbraw/zinc/11/68/89/933116889.db2.gz NBSIHGGAUXKROP-UHFFFAOYSA-N -1 1 402.472 4.248 20 0 HIADMM O=C(Nc1cncc2ccccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000535472224 933163543 /nfs/dbraw/zinc/16/35/43/933163543.db2.gz GZYDKBQRMZTUDR-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000535560466 933243518 /nfs/dbraw/zinc/24/35/18/933243518.db2.gz WMOUITHOPFQDDL-OAQYLSRUSA-N -1 1 406.530 4.471 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000535654955 933298174 /nfs/dbraw/zinc/29/81/74/933298174.db2.gz IHZPAYUEDQBIQS-UHFFFAOYSA-N -1 1 403.769 4.210 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1ccc(OCC2CCCCC2)cc1 ZINC000535654551 933298549 /nfs/dbraw/zinc/29/85/49/933298549.db2.gz IYQJPIHKDYFSFM-UHFFFAOYSA-N -1 1 413.499 4.497 20 0 HIADMM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc(F)cc1Br ZINC000535655794 933299931 /nfs/dbraw/zinc/29/99/31/933299931.db2.gz QUCJYCOERKXCJV-UHFFFAOYSA-N -1 1 421.291 4.375 20 0 HIADMM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Br)c([O-])c1 ZINC000535719628 933367793 /nfs/dbraw/zinc/36/77/93/933367793.db2.gz LDYPVESUBBTLKW-JSGCOSHPSA-N -1 1 411.093 4.203 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1 ZINC000535860534 933443198 /nfs/dbraw/zinc/44/31/98/933443198.db2.gz MZKSVENKFUMDLR-UHFFFAOYSA-N -1 1 403.438 4.164 20 0 HIADMM COc1cc(-c2noc(-c3ccc(N(C)C)c(F)c3)n2)cc(Br)c1[O-] ZINC000562474807 945084988 /nfs/dbraw/zinc/08/49/88/945084988.db2.gz ZPRPTDRLYIRJLV-UHFFFAOYSA-N -1 1 408.227 4.085 20 0 HIADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc4nc(C5CC5)sc4c3)ccc2NC1=O ZINC000562586045 945104325 /nfs/dbraw/zinc/10/43/25/945104325.db2.gz GFJBCMYPKKFVMU-UHFFFAOYSA-N -1 1 413.524 4.204 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCc3cccc(O)c32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000562926450 945153375 /nfs/dbraw/zinc/15/33/75/945153375.db2.gz FNFIQRHNTZKZFB-LJQANCHMSA-N -1 1 422.506 4.170 20 0 HIADMM O=C(NC/C=C/c1ccccc1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000537587451 938329449 /nfs/dbraw/zinc/32/94/49/938329449.db2.gz SHUQONTXSFPGFU-FMIVXFBMSA-N -1 1 421.522 4.000 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)on1 ZINC000563291537 945169794 /nfs/dbraw/zinc/16/97/94/945169794.db2.gz MDWOPETVBQPYNH-UHFFFAOYSA-N -1 1 410.389 4.094 20 0 HIADMM Cc1ccsc1CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000537998395 938456659 /nfs/dbraw/zinc/45/66/59/938456659.db2.gz UWMKXESURSREHY-UHFFFAOYSA-N -1 1 414.552 4.138 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000538048108 938481845 /nfs/dbraw/zinc/48/18/45/938481845.db2.gz FLAGBVIUWFNINT-UHFFFAOYSA-N -1 1 406.479 4.161 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000538052533 938485699 /nfs/dbraw/zinc/48/56/99/938485699.db2.gz UPHXHUNZJSVRGA-VXGBXAGGSA-N -1 1 417.289 4.246 20 0 HIADMM CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2)cc1 ZINC000538222869 938563676 /nfs/dbraw/zinc/56/36/76/938563676.db2.gz CWKHFRITOGRCAU-IBGZPJMESA-N -1 1 419.529 4.096 20 0 HIADMM Cc1nc2sc(-c3ccccc3)cc2c(Sc2nc3c(cnn3C)c(=O)[n-]2)n1 ZINC000538894274 938732106 /nfs/dbraw/zinc/73/21/06/938732106.db2.gz MEGHERAMDXWOFT-UHFFFAOYSA-N -1 1 406.496 4.200 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000539035092 938776120 /nfs/dbraw/zinc/77/61/20/938776120.db2.gz CEDGXUQVYYMJGG-NSHDSACASA-N -1 1 419.312 4.047 20 0 HIADMM CCc1ccccc1[N-]S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC000539239337 938823713 /nfs/dbraw/zinc/82/37/13/938823713.db2.gz UCBQKFFHZLTISW-UHFFFAOYSA-N -1 1 411.321 4.079 20 0 HIADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C)c2ccc(Cl)cc2)no1 ZINC000539945677 938980181 /nfs/dbraw/zinc/98/01/81/938980181.db2.gz HLTKFIGDZCHKRH-INIZCTEOSA-N -1 1 412.298 4.061 20 0 HIADMM COc1ccc([C@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C(=O)[O-])cc1Cl ZINC000684749162 939051651 /nfs/dbraw/zinc/05/16/51/939051651.db2.gz JVPSZDJVFFHOOU-AWEZNQCLSA-N -1 1 424.791 4.110 20 0 HIADMM CO[C@H](c1ccc(Br)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000540217123 939132714 /nfs/dbraw/zinc/13/27/14/939132714.db2.gz KFTZDXKQVRTBJU-XIKOKIGWSA-N -1 1 424.316 4.250 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000540251157 939168903 /nfs/dbraw/zinc/16/89/03/939168903.db2.gz OBUUQFAOBWWWCU-UHFFFAOYSA-N -1 1 412.442 4.278 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000540251430 939169382 /nfs/dbraw/zinc/16/93/82/939169382.db2.gz CTIFOBAXXZKKRZ-UHFFFAOYSA-N -1 1 417.437 4.014 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCOc2cc(Cl)ccc21)c1sccc1Br ZINC000540483947 939269777 /nfs/dbraw/zinc/26/97/77/939269777.db2.gz XOXWAXKRPBCPAN-GFCCVEGCSA-N -1 1 422.753 4.356 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(Cl)sc1Cl ZINC000540482909 939269994 /nfs/dbraw/zinc/26/99/94/939269994.db2.gz CBEDFZMKHKYUJE-GXFFZTMASA-N -1 1 414.282 4.142 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc(OC)c1Br ZINC000540498051 939277645 /nfs/dbraw/zinc/27/76/45/939277645.db2.gz NWHILDNCWPBVNZ-UHFFFAOYSA-N -1 1 420.712 4.229 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)oc2c1)c1ccc(F)c2ncccc12 ZINC000540696200 939342091 /nfs/dbraw/zinc/34/20/91/939342091.db2.gz IDEZBACPZGDDHU-UHFFFAOYSA-N -1 1 420.425 4.378 20 0 HIADMM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCO1 ZINC000540739378 939354256 /nfs/dbraw/zinc/35/42/56/939354256.db2.gz VKSCIGRBKTZULU-VHSXEESVSA-N -1 1 416.790 4.036 20 0 HIADMM CC[C@H]1C[C@H](CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000541014669 939431404 /nfs/dbraw/zinc/43/14/04/939431404.db2.gz WDGIINQGWBMQOR-WBVHZDCISA-N -1 1 420.506 4.160 20 0 HIADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000541496602 939536484 /nfs/dbraw/zinc/53/64/84/939536484.db2.gz YHFICJGODGMUCR-OAHLLOKOSA-N -1 1 420.481 4.194 20 0 HIADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2)c1 ZINC000541504954 939538570 /nfs/dbraw/zinc/53/85/70/939538570.db2.gz QXJRFGBWHDVMQQ-OAQYLSRUSA-N -1 1 420.534 4.426 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)c(C)c1F ZINC000542094486 939710198 /nfs/dbraw/zinc/71/01/98/939710198.db2.gz RHXJBSCANMTSBV-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)cc21 ZINC000542740920 939858372 /nfs/dbraw/zinc/85/83/72/939858372.db2.gz WMKFNTSANBKXFF-UHFFFAOYSA-N -1 1 423.538 4.078 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000542989402 939892382 /nfs/dbraw/zinc/89/23/82/939892382.db2.gz PQSPECAZVSEHEI-UHFFFAOYSA-N -1 1 409.515 4.238 20 0 HIADMM CCc1cnccc1-c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000563754655 945285003 /nfs/dbraw/zinc/28/50/03/945285003.db2.gz GZLADJQPMXBHOW-UHFFFAOYSA-N -1 1 420.494 4.470 20 0 HIADMM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000543163172 939981983 /nfs/dbraw/zinc/98/19/83/939981983.db2.gz DMEPATXANMHGDB-JTQLQIEISA-N -1 1 405.369 4.224 20 0 HIADMM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000543609870 940130054 /nfs/dbraw/zinc/13/00/54/940130054.db2.gz VVFBTNOSWZJNOR-HTAPYJJXSA-N -1 1 421.522 4.106 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000543664774 940154725 /nfs/dbraw/zinc/15/47/25/940154725.db2.gz TXLQJUZONXWDIY-UHFFFAOYSA-N -1 1 405.516 4.288 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c1 ZINC000543925792 940248627 /nfs/dbraw/zinc/24/86/27/940248627.db2.gz OLSRWOWBYRFCJT-UHFFFAOYSA-N -1 1 412.458 4.074 20 0 HIADMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1F ZINC000544095947 940325195 /nfs/dbraw/zinc/32/51/95/940325195.db2.gz IHGNMXICAYZYSL-UHFFFAOYSA-N -1 1 414.499 4.472 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC(c2ccccc2)CC1 ZINC000544832580 940518300 /nfs/dbraw/zinc/51/83/00/940518300.db2.gz WCSVWTVEBJJVDE-UHFFFAOYSA-N -1 1 407.251 4.017 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC(C)C)c2)cc1OCC ZINC000544843977 940518751 /nfs/dbraw/zinc/51/87/51/940518751.db2.gz DGPWCZBRGDSQOE-UHFFFAOYSA-N -1 1 409.504 4.081 20 0 HIADMM CC(C)N(Cc1ccccn1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544890103 940522068 /nfs/dbraw/zinc/52/20/68/940522068.db2.gz KSUNDAZRLFVIKV-UHFFFAOYSA-N -1 1 424.526 4.325 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)no2)o1 ZINC000544906627 940523781 /nfs/dbraw/zinc/52/37/81/940523781.db2.gz SHDUQWVCDBENBK-UHFFFAOYSA-N -1 1 415.393 4.092 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(CCc3ccco3)no2)cc1)c1ccc(F)cc1 ZINC000545078037 940540132 /nfs/dbraw/zinc/54/01/32/940540132.db2.gz ZFDRJTAUXVHXRJ-UHFFFAOYSA-N -1 1 413.430 4.055 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCCCC[C@H]1c1ccncc1 ZINC000545453530 940570647 /nfs/dbraw/zinc/57/06/47/940570647.db2.gz FAKZIFSPQAEHLU-INIZCTEOSA-N -1 1 422.266 4.149 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)CC[C@H]1c1ccccc1 ZINC000545494443 940572013 /nfs/dbraw/zinc/57/20/13/940572013.db2.gz RRILNXFBBBJUKZ-XJKSGUPXSA-N -1 1 421.278 4.263 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)CC[C@@H]1c1ccccc1 ZINC000545494440 940572039 /nfs/dbraw/zinc/57/20/39/940572039.db2.gz RRILNXFBBBJUKZ-BBRMVZONSA-N -1 1 421.278 4.263 20 0 HIADMM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000545507468 940572372 /nfs/dbraw/zinc/57/23/72/940572372.db2.gz QODUJUKDSXQAEV-HNNXBMFYSA-N -1 1 414.449 4.257 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(Cc3ccccc3F)no2)c1)c1ccccc1 ZINC000545548259 940574309 /nfs/dbraw/zinc/57/43/09/940574309.db2.gz YKJZYUYSRHHHAU-UHFFFAOYSA-N -1 1 409.442 4.267 20 0 HIADMM Cc1ccnc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)n2)c1 ZINC000545584528 940575890 /nfs/dbraw/zinc/57/58/90/940575890.db2.gz JBBMRHVZMDREFR-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM Cn1cnc(-c2ccc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2)n1 ZINC000545826703 940617834 /nfs/dbraw/zinc/61/78/34/940617834.db2.gz CQDAEOJALSCZNL-UHFFFAOYSA-N -1 1 404.451 4.182 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)cc(Cl)c1[O-] ZINC000545849170 940632675 /nfs/dbraw/zinc/63/26/75/940632675.db2.gz AVLJPGYPZCTGHI-HXUWFJFHSA-N -1 1 412.873 4.367 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(C(=O)OC)cc2OC(F)F)cc(Cl)c1[O-] ZINC000545857674 940639430 /nfs/dbraw/zinc/63/94/30/940639430.db2.gz SBMZIXKYBQGMAD-UHFFFAOYSA-N -1 1 415.776 4.085 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc(Cl)c1[O-] ZINC000545878492 940650541 /nfs/dbraw/zinc/65/05/41/940650541.db2.gz QVTWYSNQJPGGQK-ZDUSSCGKSA-N -1 1 402.878 4.062 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(I)c([O-])c2)c2cccnc12 ZINC000546168782 940720789 /nfs/dbraw/zinc/72/07/89/940720789.db2.gz VRTUFBKTOZWUGC-UHFFFAOYSA-N -1 1 404.207 4.106 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1OC(C)C ZINC000546179484 940722533 /nfs/dbraw/zinc/72/25/33/940722533.db2.gz QNDSTIGANAHMKY-UHFFFAOYSA-N -1 1 403.504 4.214 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000546250123 940748586 /nfs/dbraw/zinc/74/85/86/940748586.db2.gz NVMVVTNIOREVLJ-QMMMGPOBSA-N -1 1 404.300 4.144 20 0 HIADMM COc1cccc(Cc2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)c1 ZINC000546287213 940765239 /nfs/dbraw/zinc/76/52/39/940765239.db2.gz ILWRQUHVBUHSJE-UHFFFAOYSA-N -1 1 421.478 4.137 20 0 HIADMM COCc1cccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)c1 ZINC000546343245 940795788 /nfs/dbraw/zinc/79/57/88/940795788.db2.gz SFOCBFNNQXNWHP-UHFFFAOYSA-N -1 1 421.478 4.351 20 0 HIADMM Cc1cc(Cc2noc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)cc3)n2)no1 ZINC000546441823 940820701 /nfs/dbraw/zinc/82/07/01/940820701.db2.gz ZTAWRZYUUYBCNY-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc([C@@H]4CCO[C@@H](C)C4)no3)c2)c1 ZINC000546506855 940839258 /nfs/dbraw/zinc/83/92/58/940839258.db2.gz QZXIJTNGNQDYRW-JKSUJKDBSA-N -1 1 413.499 4.128 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)cc(Cl)c1[O-] ZINC000546555248 940851569 /nfs/dbraw/zinc/85/15/69/940851569.db2.gz XFUOOROLYNSIBS-INIZCTEOSA-N -1 1 403.784 4.486 20 0 HIADMM CCOc1cc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc(Cl)c1[O-] ZINC000546584270 940857859 /nfs/dbraw/zinc/85/78/59/940857859.db2.gz KTJDIJYIWZPOTJ-UHFFFAOYSA-N -1 1 402.878 4.113 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000546700141 940870501 /nfs/dbraw/zinc/87/05/01/940870501.db2.gz YQYLPMKGDMEINN-OAQYLSRUSA-N -1 1 402.498 4.239 20 0 HIADMM O=C(c1cncc([O-])c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000546720832 940873026 /nfs/dbraw/zinc/87/30/26/940873026.db2.gz BEAAVWAPFSRUAK-HNNXBMFYSA-N -1 1 420.309 4.039 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ncc(Br)cc1Br ZINC000546831104 940890274 /nfs/dbraw/zinc/89/02/74/940890274.db2.gz JQGUSXHHAKHAHF-UHFFFAOYSA-N -1 1 406.461 4.218 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000546892115 940903576 /nfs/dbraw/zinc/90/35/76/940903576.db2.gz HXNBNWUKIDNDPY-OAHLLOKOSA-N -1 1 411.214 4.113 20 0 HIADMM COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(Br)c1O ZINC000546911449 940910998 /nfs/dbraw/zinc/91/09/98/940910998.db2.gz JIZLMPNMTJIRLU-UHFFFAOYSA-N -1 1 407.289 4.419 20 0 HIADMM Cc1cccc(C2=CCN(C(=O)c3ccc(I)c([O-])c3)CC2)c1 ZINC000546915129 940911557 /nfs/dbraw/zinc/91/15/57/940911557.db2.gz TXXAYDTTZGUBMG-UHFFFAOYSA-N -1 1 419.262 4.235 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@@H]1CCc2ccccc2C1 ZINC000546927268 940915465 /nfs/dbraw/zinc/91/54/65/940915465.db2.gz VZQVFLDUDWXUOF-OAQYLSRUSA-N -1 1 421.522 4.166 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccccn4)no3)c2)cc1F ZINC000546963156 940929044 /nfs/dbraw/zinc/92/90/44/940929044.db2.gz MFIDOLWBIZTSSN-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(-c4ccccn4)no3)c2)c1 ZINC000546964802 940929728 /nfs/dbraw/zinc/92/97/28/940929728.db2.gz DGUZUFATMRCBLI-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM CC(C)OCCCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000547170165 941019781 /nfs/dbraw/zinc/01/97/81/941019781.db2.gz ZIDJHLLLYNQPOQ-UHFFFAOYSA-N -1 1 419.478 4.034 20 0 HIADMM CCOc1cc(C(=O)N2CCC(OCc3ccccc3OC)CC2)cc(Cl)c1[O-] ZINC000547258026 941045638 /nfs/dbraw/zinc/04/56/38/941045638.db2.gz BTYVRZNHPWRWKJ-UHFFFAOYSA-N -1 1 419.905 4.274 20 0 HIADMM CCOc1cc(C(=O)NCc2cccc(NC(=O)[C@H](C)CC)c2)cc(Cl)c1[O-] ZINC000547289514 941052939 /nfs/dbraw/zinc/05/29/39/941052939.db2.gz RBIXAYTUIIXRBC-CYBMUJFWSA-N -1 1 404.894 4.359 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC(C)=O)c(C)c1C ZINC000547628314 941069441 /nfs/dbraw/zinc/06/94/41/941069441.db2.gz IBBHHRYWVOESTQ-UHFFFAOYSA-N -1 1 416.421 4.090 20 0 HIADMM COc1cc(C)ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000547702805 941072412 /nfs/dbraw/zinc/07/24/12/941072412.db2.gz CSLITYFLWIMFMI-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(OC)cc1Br ZINC000547704065 941072698 /nfs/dbraw/zinc/07/26/98/941072698.db2.gz FPNLXIZQSKAZTC-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000547877108 941079407 /nfs/dbraw/zinc/07/94/07/941079407.db2.gz LJIWUFHGVKZRGW-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC2(CC2)c2ccccc21 ZINC000548476784 941107508 /nfs/dbraw/zinc/10/75/08/941107508.db2.gz OULRXLHYTVFDPC-UHFFFAOYSA-N -1 1 404.491 4.179 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000550587510 941342911 /nfs/dbraw/zinc/34/29/11/941342911.db2.gz SKZNIHFIWRWYJJ-UHFFFAOYSA-N -1 1 410.905 4.190 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cccc(Br)c1Cl ZINC000551116965 941413388 /nfs/dbraw/zinc/41/33/88/941413388.db2.gz PQXZPMSKNNIUDK-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC3CC3)C(C)C)c2)cc1 ZINC000551131906 941416119 /nfs/dbraw/zinc/41/61/19/941416119.db2.gz CDBIJWBZMHDKLY-UHFFFAOYSA-N -1 1 416.543 4.147 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C(C)C)cc2)cc1 ZINC000551369908 941463857 /nfs/dbraw/zinc/46/38/57/941463857.db2.gz CVOYQNLAFOCTLZ-UHFFFAOYSA-N -1 1 404.532 4.051 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cc2c(c(Cl)c1)OCO2 ZINC000552022393 941570075 /nfs/dbraw/zinc/57/00/75/941570075.db2.gz NUEUIRJIMSKJLS-UHFFFAOYSA-N -1 1 405.031 4.443 20 0 HIADMM CCC(CC)(CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1)OC ZINC000552274662 941620487 /nfs/dbraw/zinc/62/04/87/941620487.db2.gz MJTZQVMTMDRGMT-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CC(C2CCC2)C1 ZINC000552893578 941799200 /nfs/dbraw/zinc/79/92/00/941799200.db2.gz IEYRUVHBKHVZDO-UHFFFAOYSA-N -1 1 422.909 4.152 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000553174978 941844866 /nfs/dbraw/zinc/84/48/66/941844866.db2.gz NWAVFLSRHLOTSQ-IIBYNOLFSA-N -1 1 402.498 4.095 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2Cl)CC2CC2)o1 ZINC000553234972 941854185 /nfs/dbraw/zinc/85/41/85/941854185.db2.gz SVWDATCWNLCDQJ-UHFFFAOYSA-N -1 1 424.950 4.062 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCc3cccc(O)c32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000553314695 941866008 /nfs/dbraw/zinc/86/60/08/941866008.db2.gz UWVIUKPFISOYFJ-IBGZPJMESA-N -1 1 422.506 4.170 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1nc2ccccc2n1C(F)F ZINC000553437656 941885133 /nfs/dbraw/zinc/88/51/33/941885133.db2.gz ANDUXKNFIXDZHC-MRVPVSSYSA-N -1 1 421.803 4.403 20 0 HIADMM COCCSc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000553479105 941892411 /nfs/dbraw/zinc/89/24/11/941892411.db2.gz COXIPXYPQRWSED-NSHDSACASA-N -1 1 421.918 4.396 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000553911630 941996551 /nfs/dbraw/zinc/99/65/51/941996551.db2.gz CDBWGBDASLPPCE-HNNXBMFYSA-N -1 1 423.991 4.192 20 0 HIADMM CC(C)SCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000554044407 942024820 /nfs/dbraw/zinc/02/48/20/942024820.db2.gz IGKJANPDFGRFTO-UHFFFAOYSA-N -1 1 412.964 4.012 20 0 HIADMM COc1cc(CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)ccc1OC(F)F ZINC000554834995 942273222 /nfs/dbraw/zinc/27/32/22/942273222.db2.gz FJYQUAYCIKRMOM-UHFFFAOYSA-N -1 1 422.815 4.476 20 0 HIADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000554932706 942324447 /nfs/dbraw/zinc/32/44/47/942324447.db2.gz MHMWACFKLHERHH-QMMMGPOBSA-N -1 1 405.829 4.052 20 0 HIADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)c1 ZINC000555124123 942391979 /nfs/dbraw/zinc/39/19/79/942391979.db2.gz PXIBDVWUIFDIEQ-UHFFFAOYSA-N -1 1 402.497 4.096 20 0 HIADMM Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000555444660 942548171 /nfs/dbraw/zinc/54/81/71/942548171.db2.gz OSACEOZFGJRTBI-UHFFFAOYSA-N -1 1 419.510 4.316 20 0 HIADMM COc1ccc(O[C@@H](C)C(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000556851082 942940097 /nfs/dbraw/zinc/94/00/97/942940097.db2.gz MDQUUZLATFXAGO-VIFPVBQESA-N -1 1 400.656 4.223 20 0 HIADMM COc1cc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)cc(Cl)c1[O-] ZINC000557171024 943039495 /nfs/dbraw/zinc/03/94/95/943039495.db2.gz QSBKZPLXNZKLFK-HNNXBMFYSA-N -1 1 411.683 4.093 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)cc(Cl)c1[O-] ZINC000557500814 943171862 /nfs/dbraw/zinc/17/18/62/943171862.db2.gz DREDRGDFQLCGMB-UHFFFAOYSA-N -1 1 409.841 4.394 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@](F)(c2ccccc2)C1 ZINC000557692265 943260258 /nfs/dbraw/zinc/26/02/58/943260258.db2.gz VQRNMLOUVKEOOJ-HSZRJFAPSA-N -1 1 424.497 4.198 20 0 HIADMM O=C(NCCC1(F)CCC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000557972610 943343789 /nfs/dbraw/zinc/34/37/89/943343789.db2.gz WAILOFDMHYJREK-UHFFFAOYSA-N -1 1 410.898 4.153 20 0 HIADMM CCC(CC)(OC)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000558516373 943585062 /nfs/dbraw/zinc/58/50/62/943585062.db2.gz BOJPCHPWANFPKO-UHFFFAOYSA-N -1 1 401.488 4.199 20 0 HIADMM Cc1[nH]nc([N-]S(=O)(=O)CCc2ccccc2Br)c1-c1ccccc1 ZINC000558633622 943622461 /nfs/dbraw/zinc/62/24/61/943622461.db2.gz NQUWXEULCUOSAJ-UHFFFAOYSA-N -1 1 420.332 4.132 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc(Cl)ccc1F ZINC000559960981 944100972 /nfs/dbraw/zinc/10/09/72/944100972.db2.gz MBHHIJRQYCRKGB-UHFFFAOYSA-N -1 1 402.838 4.218 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(Cc4cccnc4)no3)c2)c1 ZINC000559969676 944104776 /nfs/dbraw/zinc/10/47/76/944104776.db2.gz ANMAYTFNWGGRND-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2c1=O ZINC000560010635 944128556 /nfs/dbraw/zinc/12/85/56/944128556.db2.gz NIFPLUSVMHYWSL-UHFFFAOYSA-N -1 1 404.447 4.239 20 0 HIADMM COc1ccc2[nH]cc(CC(=O)Nc3c([O-])cc(Br)cc3Cl)c2c1 ZINC000560503840 944237388 /nfs/dbraw/zinc/23/73/88/944237388.db2.gz WGMZWNGVMCIBFS-UHFFFAOYSA-N -1 1 409.667 4.479 20 0 HIADMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000560503967 944238052 /nfs/dbraw/zinc/23/80/52/944238052.db2.gz VNVOXMHAPXGVIZ-SSDOTTSWSA-N -1 1 406.610 4.492 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc(N2CCCC2=O)cc1 ZINC000560506630 944239321 /nfs/dbraw/zinc/23/93/21/944239321.db2.gz LIAQVQMEPCTELG-UHFFFAOYSA-N -1 1 409.667 4.187 20 0 HIADMM CC(C)Cn1ncc2cc(C(=O)Nc3c([O-])cc(Br)cc3Cl)cnc21 ZINC000561314029 944547945 /nfs/dbraw/zinc/54/79/45/944547945.db2.gz NLJYNKKDNHTWLM-UHFFFAOYSA-N -1 1 423.698 4.461 20 0 HIADMM O=C(NCC(F)(F)c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000562181803 945006470 /nfs/dbraw/zinc/00/64/70/945006470.db2.gz NONHGDJQEYNXLF-UHFFFAOYSA-N -1 1 416.449 4.009 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c1 ZINC000564245669 945460777 /nfs/dbraw/zinc/46/07/77/945460777.db2.gz UXVOVQFZHQDIMD-UHFFFAOYSA-N -1 1 415.559 4.324 20 0 HIADMM COc1cc(-c2noc(C(=O)Nc3ccc(Cl)cc3)n2)cc(Br)c1[O-] ZINC000564629316 945715536 /nfs/dbraw/zinc/71/55/36/945715536.db2.gz CZLHXHJNHFAIPQ-UHFFFAOYSA-N -1 1 424.638 4.119 20 0 HIADMM O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)c([O-])c1 ZINC000565310895 945806771 /nfs/dbraw/zinc/80/67/71/945806771.db2.gz NLZIZZFQNXXXQY-GDBMZVCRSA-N -1 1 414.658 4.207 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCC(C)C)c2)c1 ZINC000565502194 945840047 /nfs/dbraw/zinc/84/00/47/945840047.db2.gz NPRYRZLVRWJXOT-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM CN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)C(=O)c1cccs1 ZINC000566036546 945989446 /nfs/dbraw/zinc/98/94/46/945989446.db2.gz MVVGLFLRUIFONJ-UHFFFAOYSA-N -1 1 420.943 4.475 20 0 HIADMM O=S(=O)([N-]c1ccc(Cc2nnc3ccccn32)cc1)c1ccc(C(F)F)cc1 ZINC000566612209 946055554 /nfs/dbraw/zinc/05/55/54/946055554.db2.gz CVPDJZPQAIFGRD-UHFFFAOYSA-N -1 1 414.437 4.059 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)[C@@H](C)C(C)C ZINC000567148553 946254510 /nfs/dbraw/zinc/25/45/10/946254510.db2.gz XTZFKKDLDSIAAG-INIZCTEOSA-N -1 1 406.523 4.442 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C)(C)c3ccc(C)nc3)c2)cc1 ZINC000568145706 946481791 /nfs/dbraw/zinc/48/17/91/946481791.db2.gz JUDLRNHYWKQLJV-UHFFFAOYSA-N -1 1 423.538 4.164 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC000569041659 946805672 /nfs/dbraw/zinc/80/56/72/946805672.db2.gz VPZZRIVZYHHVKJ-NRFANRHFSA-N -1 1 415.515 4.426 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cccc2[nH]cnc21 ZINC000569766768 946997031 /nfs/dbraw/zinc/99/70/31/946997031.db2.gz STTCEWFRKCTKPV-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM CSc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)n1 ZINC000570311582 947189522 /nfs/dbraw/zinc/18/95/22/947189522.db2.gz RRVUIRKEWIWPQC-UHFFFAOYSA-N -1 1 413.524 4.165 20 0 HIADMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)s1 ZINC000571098526 947497817 /nfs/dbraw/zinc/49/78/17/947497817.db2.gz AQJOPGJBZRUQEG-UHFFFAOYSA-N -1 1 400.891 4.192 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(F)(F)[C@H](C)C3)cc2)cc1C ZINC000571098371 947498314 /nfs/dbraw/zinc/49/83/14/947498314.db2.gz NLVLXKMXWYVBCS-MRXNPFEDSA-N -1 1 422.497 4.222 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCS[C@H](C)[C@@H]3C)c2)c1 ZINC000572161007 947852365 /nfs/dbraw/zinc/85/23/65/947852365.db2.gz SMNQIBKNEPPDFL-DLBZAZTESA-N -1 1 418.584 4.070 20 0 HIADMM O=C(NC1(c2ccc(Cl)cc2)CC1)c1ccc(I)c([O-])c1 ZINC000572893325 948032549 /nfs/dbraw/zinc/03/25/49/948032549.db2.gz ZCKRULUUFOYBOF-UHFFFAOYSA-N -1 1 413.642 4.069 20 0 HIADMM O=C(c1nc[n-]c1-c1nc(CCc2ccc(OC(F)F)cc2)no1)c1ccccc1 ZINC000572984104 948051362 /nfs/dbraw/zinc/05/13/62/948051362.db2.gz OJXMSGABDOESCK-UHFFFAOYSA-N -1 1 410.380 4.077 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@](F)(c2ccccc2)C1 ZINC000573143210 948087548 /nfs/dbraw/zinc/08/75/48/948087548.db2.gz QBSHFMCXPGKTIU-HSZRJFAPSA-N -1 1 424.497 4.198 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000573173437 948101854 /nfs/dbraw/zinc/10/18/54/948101854.db2.gz BRCTZNXZPGEANZ-UHFFFAOYSA-N -1 1 400.422 4.472 20 0 HIADMM COc1cc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc(Cl)c1[O-] ZINC000573279015 948137446 /nfs/dbraw/zinc/13/74/46/948137446.db2.gz MHSIMBYTUDVNFA-UHFFFAOYSA-N -1 1 417.676 4.120 20 0 HIADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)C2)C1 ZINC000574356896 948421502 /nfs/dbraw/zinc/42/15/02/948421502.db2.gz CNVNTHMBIKWVQL-KSFYIVLOSA-N -1 1 416.518 4.279 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-][C@](C)(c2ccccc2)C(F)(F)F)cc1OC ZINC000574361758 948424143 /nfs/dbraw/zinc/42/41/43/948424143.db2.gz WGEMYZZQPQZNGN-MRXNPFEDSA-N -1 1 423.840 4.113 20 0 HIADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000574829528 948537199 /nfs/dbraw/zinc/53/71/99/948537199.db2.gz MESUUCVZZZZKFZ-UHFFFAOYSA-N -1 1 407.797 4.475 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cnn(CCC(F)(F)F)c1 ZINC000575837010 948734712 /nfs/dbraw/zinc/73/47/12/948734712.db2.gz HGDLZBCISPOQFQ-UHFFFAOYSA-N -1 1 412.593 4.209 20 0 HIADMM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1(C)C ZINC000435939155 861202882 /nfs/dbraw/zinc/20/28/82/861202882.db2.gz UHARAWXFZDHLRD-DNVCBOLYSA-N -1 1 414.527 4.067 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H]3CCC(F)(F)C3)cc2)c1C ZINC000435954849 861217053 /nfs/dbraw/zinc/21/70/53/861217053.db2.gz DMECJBJTKNUMIC-INIZCTEOSA-N -1 1 422.497 4.269 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)c1 ZINC000436009050 861298347 /nfs/dbraw/zinc/29/83/47/861298347.db2.gz CKDFJRZDEYDNHB-UHFFFAOYSA-N -1 1 404.289 4.015 20 0 HIADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000436163147 861464093 /nfs/dbraw/zinc/46/40/93/861464093.db2.gz QCMTYEKVENHETK-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)n1 ZINC000436198236 861498790 /nfs/dbraw/zinc/49/87/90/861498790.db2.gz OFYTWUVZBRNBLG-FQEVSTJZSA-N -1 1 413.930 4.396 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000436205056 861505339 /nfs/dbraw/zinc/50/53/39/861505339.db2.gz CRYFGILGEXJFBO-NRFANRHFSA-N -1 1 411.502 4.224 20 0 HIADMM COc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c(F)c1 ZINC000005088565 845080980 /nfs/dbraw/zinc/08/09/80/845080980.db2.gz MRYYQENYLZZQJT-UHFFFAOYSA-N -1 1 410.426 4.156 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)c1C ZINC000006178234 845181770 /nfs/dbraw/zinc/18/17/70/845181770.db2.gz CFFILMUPDFNLHR-OXQOHEQNSA-N -1 1 400.544 4.413 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(Br)cc1Cl ZINC000006316428 845188894 /nfs/dbraw/zinc/18/88/94/845188894.db2.gz TVOIWJQBBNCWLD-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc(Cl)c1[O-] ZINC000007164712 845268614 /nfs/dbraw/zinc/26/86/14/845268614.db2.gz BOCSJSRLGQMMRQ-NTUHNPAUSA-N -1 1 402.834 4.007 20 0 HIADMM O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)[N-]C(=O)c1ccccc1 ZINC000007653378 845382740 /nfs/dbraw/zinc/38/27/40/845382740.db2.gz YURZPJBMDGAMBS-UHFFFAOYSA-N -1 1 408.262 4.322 20 0 HIADMM COc1cc(-c2noc(CSc3nc(C4CC4)cc(=O)[n-]3)n2)ccc1OC(F)F ZINC000436254017 861565463 /nfs/dbraw/zinc/56/54/63/861565463.db2.gz QZQHXPFGKMVWNC-UHFFFAOYSA-N -1 1 422.413 4.012 20 0 HIADMM Cc1ccsc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000007898168 845443557 /nfs/dbraw/zinc/44/35/57/845443557.db2.gz XVFXJZRUEDRIJM-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM O=C(NC1CCCC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000008033340 845464054 /nfs/dbraw/zinc/46/40/54/845464054.db2.gz YCGPDVANYAKOJH-UHFFFAOYSA-N -1 1 412.433 4.179 20 0 HIADMM CCCc1cc(=O)[n-]c(SCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000008204625 845491374 /nfs/dbraw/zinc/49/13/74/845491374.db2.gz NUMFSYKNIGYLAB-UHFFFAOYSA-N -1 1 411.527 4.047 20 0 HIADMM Cc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000008240454 845495365 /nfs/dbraw/zinc/49/53/65/845495365.db2.gz HPGDCEPMZSIYQQ-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3F)c2)cc1 ZINC000008289182 845508441 /nfs/dbraw/zinc/50/84/41/845508441.db2.gz DUXKTWWMJNWEQU-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000008291824 845509353 /nfs/dbraw/zinc/50/93/53/845509353.db2.gz SOHNHIULXXZWLJ-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(-c2ccccc2)[nH]n1 ZINC000009903371 845602147 /nfs/dbraw/zinc/60/21/47/845602147.db2.gz WONPCUWESMLEQW-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)ccn1 ZINC000010165134 845625669 /nfs/dbraw/zinc/62/56/69/845625669.db2.gz HUVXIQOHMKFQNU-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM COc1ccc(Cl)cc1CN(C)C(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000010279963 845642234 /nfs/dbraw/zinc/64/22/34/845642234.db2.gz OVYLPTKGHLSGCE-UHFFFAOYSA-N -1 1 416.934 4.237 20 0 HIADMM COCCCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccccc1Cl ZINC000010540356 845671946 /nfs/dbraw/zinc/67/19/46/845671946.db2.gz SBAMBRTWUIONJT-UHFFFAOYSA-N -1 1 417.918 4.316 20 0 HIADMM Cc1csc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC000010554883 845673990 /nfs/dbraw/zinc/67/39/90/845673990.db2.gz YCBDOXTYGQXHIK-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCn1c2ccccc2nc1NC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000010651876 845686627 /nfs/dbraw/zinc/68/66/27/845686627.db2.gz QVPVKGAROPDXBP-UHFFFAOYSA-N -1 1 406.515 4.315 20 0 HIADMM Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4cccc(C)c4)c3)ccc2[nH]1 ZINC000010657130 845687898 /nfs/dbraw/zinc/68/78/98/845687898.db2.gz XVJXLOYQRKFQLV-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)ccc2[nH]1 ZINC000010657125 845688172 /nfs/dbraw/zinc/68/81/72/845688172.db2.gz VHLBXYXDZYXNQU-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(Br)ccc1Cl ZINC000011481502 845801546 /nfs/dbraw/zinc/80/15/46/845801546.db2.gz SWEHLZCLNXASCI-UHFFFAOYSA-N -1 1 409.619 4.272 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1cc(Cl)nc2ccccc21 ZINC000012689198 845884183 /nfs/dbraw/zinc/88/41/83/845884183.db2.gz ZLCVEFRSPJJPMV-UHFFFAOYSA-N -1 1 422.897 4.395 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCCCn1ccc2ccccc21 ZINC000014701753 845971259 /nfs/dbraw/zinc/97/12/59/845971259.db2.gz BJPWTXUFCGLBSK-UHFFFAOYSA-N -1 1 411.556 4.220 20 0 HIADMM Cc1cc(C(=O)N[N-]C(=O)c2c(C)onc2-c2ccccc2)c(C)n1-c1ccccc1 ZINC000014803080 845982146 /nfs/dbraw/zinc/98/21/46/845982146.db2.gz ZTYHHRQOGBVBSZ-UHFFFAOYSA-N -1 1 414.465 4.132 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1F ZINC000015339089 846036557 /nfs/dbraw/zinc/03/65/57/846036557.db2.gz BODDVJOJKGWFJK-UHFFFAOYSA-N -1 1 424.497 4.133 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000015339922 846036701 /nfs/dbraw/zinc/03/67/01/846036701.db2.gz OYOSQAZIGHCPBX-MRXNPFEDSA-N -1 1 422.506 4.181 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1F ZINC000015434002 846048449 /nfs/dbraw/zinc/04/84/49/846048449.db2.gz WWVXTOJOBQGDKQ-HUUCEWRRSA-N -1 1 404.507 4.053 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cccnc1Cl ZINC000015437010 846049572 /nfs/dbraw/zinc/04/95/72/846049572.db2.gz QGIDQDXFNQVQHY-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c(F)c1 ZINC000015541346 846060534 /nfs/dbraw/zinc/06/05/34/846060534.db2.gz IJJZOIUKILWWHV-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 ZINC000015563532 846063328 /nfs/dbraw/zinc/06/33/28/846063328.db2.gz PFLOSARHPRSHHJ-UHFFFAOYSA-N -1 1 422.506 4.089 20 0 HIADMM CC(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015590667 846068009 /nfs/dbraw/zinc/06/80/09/846068009.db2.gz ZITXWFRWRINDSU-UHFFFAOYSA-N -1 1 401.315 4.180 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000015734734 846087987 /nfs/dbraw/zinc/08/79/87/846087987.db2.gz MIJGDCYETKKDQT-UHFFFAOYSA-N -1 1 406.935 4.321 20 0 HIADMM O=C(CCc1ccccc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015744136 846088857 /nfs/dbraw/zinc/08/88/57/846088857.db2.gz GBCPVXXWFUYRCQ-UHFFFAOYSA-N -1 1 416.449 4.337 20 0 HIADMM C/C=C/C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000015895843 846101814 /nfs/dbraw/zinc/10/18/14/846101814.db2.gz NENFDCSBJYLQQS-ONEGZZNKSA-N -1 1 409.305 4.073 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000016305204 846150893 /nfs/dbraw/zinc/15/08/93/846150893.db2.gz VAISIQBNZSDKMF-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM O=C(CSc1ccccc1Br)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000016360550 846160169 /nfs/dbraw/zinc/16/01/69/846160169.db2.gz IKWBTTGOQFOQOA-UHFFFAOYSA-N -1 1 416.243 4.099 20 0 HIADMM Cc1onc(-c2ccccc2)c1C(=O)[N-]NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000016496210 846178494 /nfs/dbraw/zinc/17/84/94/846178494.db2.gz URAHFWJIEIWRPJ-INIZCTEOSA-N -1 1 415.449 4.032 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1C ZINC000016506255 846179676 /nfs/dbraw/zinc/17/96/76/846179676.db2.gz UGUSBYWOLSTSDS-UHFFFAOYSA-N -1 1 412.486 4.425 20 0 HIADMM CCOc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(OCC)cc2)cc1 ZINC000016506425 846180836 /nfs/dbraw/zinc/18/08/36/846180836.db2.gz XBMASBSPBSXTIZ-UHFFFAOYSA-N -1 1 412.515 4.434 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)cc1 ZINC000016645211 846195596 /nfs/dbraw/zinc/19/55/96/846195596.db2.gz KJOUBPOKVHBKFW-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cn1c(=O)c2c(-c3cccs3)csc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000016798041 846210972 /nfs/dbraw/zinc/21/09/72/846210972.db2.gz WYJZYAPDIHKDBD-UHFFFAOYSA-N -1 1 414.533 4.404 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1C ZINC000017167330 846234786 /nfs/dbraw/zinc/23/47/86/846234786.db2.gz CVYJRWONQDZDSV-HZPDHXFCSA-N -1 1 400.544 4.222 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000017166727 846235307 /nfs/dbraw/zinc/23/53/07/846235307.db2.gz JDYFOKZOHQFTBL-UHFFFAOYSA-N -1 1 422.554 4.098 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCc3ccccc3)cc2)c1C ZINC000017298529 846241718 /nfs/dbraw/zinc/24/17/18/846241718.db2.gz HPAZIQCEBABYEO-UHFFFAOYSA-N -1 1 422.550 4.467 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)Cc2ccccc2)cc1 ZINC000017334766 846247115 /nfs/dbraw/zinc/24/71/15/846247115.db2.gz FWFULRRQMXXUQJ-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC3)c2)cc1Cl ZINC000017356419 846248978 /nfs/dbraw/zinc/24/89/78/846248978.db2.gz XULXIEVTHPLOOA-UHFFFAOYSA-N -1 1 413.326 4.339 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2)cc1 ZINC000018008919 846283361 /nfs/dbraw/zinc/28/33/61/846283361.db2.gz KZEZGWJCWNCRNI-UHFFFAOYSA-N -1 1 416.934 4.318 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000018016526 846284660 /nfs/dbraw/zinc/28/46/60/846284660.db2.gz MRHQRJAXWJHSEY-LBPRGKRZSA-N -1 1 418.469 4.162 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000018017997 846285824 /nfs/dbraw/zinc/28/58/24/846285824.db2.gz ORCUNJLGDVSBQT-UHFFFAOYSA-N -1 1 403.507 4.113 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2)cc1 ZINC000018081000 846292914 /nfs/dbraw/zinc/29/29/14/846292914.db2.gz WLRLGEGYFPJLIY-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]NC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000018103281 846295862 /nfs/dbraw/zinc/29/58/62/846295862.db2.gz WUDMUXRIIOSNOY-CQSZACIVSA-N -1 1 400.862 4.240 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccsc3)c2)c1 ZINC000018216988 846310917 /nfs/dbraw/zinc/31/09/17/846310917.db2.gz OXRYCSPRKSRKMK-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3C)cc2)ccc1F ZINC000018833983 846343913 /nfs/dbraw/zinc/34/39/13/846343913.db2.gz LKBREIOMKIQPQV-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000021863960 846504868 /nfs/dbraw/zinc/50/48/68/846504868.db2.gz NBUJKXFAVMQTMG-MRXNPFEDSA-N -1 1 403.891 4.096 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)ccc1F ZINC000021895797 846507694 /nfs/dbraw/zinc/50/76/94/846507694.db2.gz REYXAJKZJOQTHR-HUUCEWRRSA-N -1 1 404.507 4.053 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000021914522 846510596 /nfs/dbraw/zinc/51/05/96/846510596.db2.gz DBIXDLHLYUOBOO-UHFFFAOYSA-N -1 1 420.897 4.067 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccccc3)c2)c1 ZINC000022405033 846566349 /nfs/dbraw/zinc/56/63/49/846566349.db2.gz BCKILTNQWJSSSX-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)o1 ZINC000022440632 846571359 /nfs/dbraw/zinc/57/13/59/846571359.db2.gz WXVONNZDBNDSDE-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM Cc1ccccc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000022993210 846646611 /nfs/dbraw/zinc/64/66/11/846646611.db2.gz PXAPFAMUHSGLLA-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM Cc1ccsc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000023040236 846652445 /nfs/dbraw/zinc/65/24/45/846652445.db2.gz MLEADURTEYKTME-UHFFFAOYSA-N -1 1 400.525 4.130 20 0 HIADMM CC(C)CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000023722196 846743485 /nfs/dbraw/zinc/74/34/85/846743485.db2.gz NMNQPXWQYQFGNX-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000024431879 846823101 /nfs/dbraw/zinc/82/31/01/846823101.db2.gz NEPRAFOVDAYHON-UHFFFAOYSA-N -1 1 411.321 4.235 20 0 HIADMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000024427631 846823333 /nfs/dbraw/zinc/82/33/33/846823333.db2.gz IPUCDZOJCLUUMT-UHFFFAOYSA-N -1 1 401.410 4.036 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024692762 846853935 /nfs/dbraw/zinc/85/39/35/846853935.db2.gz VGLVTSJFXUPIGM-GFCCVEGCSA-N -1 1 401.260 4.316 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CCC(C)C)cc2)cc1 ZINC000025514785 846990410 /nfs/dbraw/zinc/99/04/10/846990410.db2.gz MKAZZSZRVHWMCJ-MRXNPFEDSA-N -1 1 416.543 4.245 20 0 HIADMM O=C(Nc1cnc2ccccc2c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000025532197 846993805 /nfs/dbraw/zinc/99/38/05/846993805.db2.gz FOFUUGJLXMXKBV-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C3CCC(C)CC3)cc2)cc1 ZINC000025624756 847009594 /nfs/dbraw/zinc/00/95/94/847009594.db2.gz COJHWIUSZJJPJS-UHFFFAOYSA-N -1 1 416.543 4.147 20 0 HIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 ZINC000025742197 847029350 /nfs/dbraw/zinc/02/93/50/847029350.db2.gz GXCVXIBJWRPKAC-UHFFFAOYSA-N -1 1 417.531 4.067 20 0 HIADMM Cn1cc(Cl)cc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000027062832 847242093 /nfs/dbraw/zinc/24/20/93/847242093.db2.gz HXZZJDXTWBSHLX-UHFFFAOYSA-N -1 1 424.309 4.385 20 0 HIADMM Cc1ccnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000027648914 847331889 /nfs/dbraw/zinc/33/18/89/847331889.db2.gz OHLAEYUXDILDLC-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000027707499 847343606 /nfs/dbraw/zinc/34/36/06/847343606.db2.gz KNQNEUXBXQXHAW-HRAATJIYSA-N -1 1 416.543 4.195 20 0 HIADMM Cn1cnc(S(=O)(=O)[N-][C@H](CCCc2ccccc2)c2ccccc2)c1Cl ZINC000027963962 847368493 /nfs/dbraw/zinc/36/84/93/847368493.db2.gz UNIQEQXUOYPPLC-GOSISDBHSA-N -1 1 403.935 4.116 20 0 HIADMM Cc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000028700974 847451257 /nfs/dbraw/zinc/45/12/57/847451257.db2.gz BOZDZHWKIFXKJQ-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM Nc1c(Cl)cc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1Cl ZINC000028813086 847465133 /nfs/dbraw/zinc/46/51/33/847465133.db2.gz XCCPHFIGASKSRC-UHFFFAOYSA-N -1 1 400.316 4.197 20 0 HIADMM Cc1ccc(-c2nc(NC(=O)CCn3c(=S)[n-]nc3-c3ccc(C)cc3)n[nH]2)cc1 ZINC000028855844 847469373 /nfs/dbraw/zinc/46/93/73/847469373.db2.gz YAQUQHWNRYARIK-UHFFFAOYSA-N -1 1 419.514 4.038 20 0 HIADMM Cc1ccc(C)c(OCc2nnc(SCc3cc(=O)oc4cc([O-])ccc34)o2)c1 ZINC000028872693 847470426 /nfs/dbraw/zinc/47/04/26/847470426.db2.gz QXVBKXZUVCYAPK-UHFFFAOYSA-N -1 1 410.451 4.370 20 0 HIADMM Cc1ccsc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000029237111 847528401 /nfs/dbraw/zinc/52/84/01/847528401.db2.gz SDMYEVQPVZTOFO-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000029287619 847539154 /nfs/dbraw/zinc/53/91/54/847539154.db2.gz COUMALAJRRHHQH-VQTJNVASSA-N -1 1 415.559 4.217 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1 ZINC000029352516 847549882 /nfs/dbraw/zinc/54/98/82/847549882.db2.gz MKCQIYJQQDAEPX-UHFFFAOYSA-N -1 1 410.528 4.397 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCn4cccc4[C@@H]3C)cc2)c1 ZINC000029380870 847556482 /nfs/dbraw/zinc/55/64/82/847556482.db2.gz PJDVPOSWNJWSEF-SFHVURJKSA-N -1 1 423.538 4.123 20 0 HIADMM Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)o1 ZINC000029470201 847567112 /nfs/dbraw/zinc/56/71/12/847567112.db2.gz CJVYSLNECSTYEF-UHFFFAOYSA-N -1 1 418.902 4.015 20 0 HIADMM Cc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)sc1C ZINC000029582354 847583309 /nfs/dbraw/zinc/58/33/09/847583309.db2.gz QPFROERDFPVVEO-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N(C)C)c2)cc1 ZINC000029692848 847601071 /nfs/dbraw/zinc/60/10/71/847601071.db2.gz SLHPWGHJCNRPCH-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM Cc1ccoc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000029698608 847602622 /nfs/dbraw/zinc/60/26/22/847602622.db2.gz OKFVGYUATLQQJE-UHFFFAOYSA-N -1 1 406.847 4.000 20 0 HIADMM Cc1cc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)c(C)s1 ZINC000029843076 847630817 /nfs/dbraw/zinc/63/08/17/847630817.db2.gz AUBLUYFWMYYZEG-AWEZNQCLSA-N -1 1 415.540 4.052 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000029997824 847667715 /nfs/dbraw/zinc/66/77/15/847667715.db2.gz FNEVBIWGAXPSLH-WBVHZDCISA-N -1 1 402.564 4.434 20 0 HIADMM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030011811 847669883 /nfs/dbraw/zinc/66/98/83/847669883.db2.gz FKEIACLQRZZKHL-OAHLLOKOSA-N -1 1 410.470 4.218 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)C3)cc2)c1C ZINC000030016596 847671634 /nfs/dbraw/zinc/67/16/34/847671634.db2.gz NDBPDOFDGXEISO-DNVCBOLYSA-N -1 1 400.544 4.413 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000030189251 847688128 /nfs/dbraw/zinc/68/81/28/847688128.db2.gz NORXHFAABKGVRS-UHFFFAOYSA-N -1 1 422.432 4.496 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCn4cccc4[C@H]3C)cc2)cc1C ZINC000030266303 847694073 /nfs/dbraw/zinc/69/40/73/847694073.db2.gz ZHMMAKRFLYITPQ-GOSISDBHSA-N -1 1 423.538 4.123 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000436478230 861819007 /nfs/dbraw/zinc/81/90/07/861819007.db2.gz OTZNAPUADJTOBO-UHFFFAOYSA-N -1 1 420.775 4.084 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCCC[C@@H]3C)c2)cc1 ZINC000030381977 847709651 /nfs/dbraw/zinc/70/96/51/847709651.db2.gz PIUKRQKIAZYEKP-UWJYYQICSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc2)ccc1F ZINC000030424516 847714770 /nfs/dbraw/zinc/71/47/70/847714770.db2.gz JQQGHTHWAAZHDK-HNNXBMFYSA-N -1 1 406.523 4.442 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)c1 ZINC000436513940 861831421 /nfs/dbraw/zinc/83/14/21/861831421.db2.gz NWXCMJYCKWNGKC-UHFFFAOYSA-N -1 1 420.343 4.413 20 0 HIADMM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cn1 ZINC000030700104 847761861 /nfs/dbraw/zinc/76/18/61/847761861.db2.gz LVGDQCRSGGOLQG-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3cccnc3)ccc2C)c1 ZINC000030893679 847793276 /nfs/dbraw/zinc/79/32/76/847793276.db2.gz AMBNWNCMKWRFHY-PKNBQFBNSA-N -1 1 407.495 4.151 20 0 HIADMM O=C(NC[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436519317 861832789 /nfs/dbraw/zinc/83/27/89/861832789.db2.gz WGFNUMCVDJOKHL-BEFAXECRSA-N -1 1 416.468 4.092 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000031081769 847819916 /nfs/dbraw/zinc/81/99/16/847819916.db2.gz KCBZIMLBAMEQBL-UHFFFAOYSA-N -1 1 417.519 4.103 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N(CCc1ccccc1)Cc1ccncc1 ZINC000436535165 861839298 /nfs/dbraw/zinc/83/92/98/861839298.db2.gz MXTFQMRSICVLJO-UHFFFAOYSA-N -1 1 411.299 4.435 20 0 HIADMM Cc1ccc(OC2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)cc1C ZINC000436522248 861834218 /nfs/dbraw/zinc/83/42/18/861834218.db2.gz SHZHARHNUHNKNO-UHFFFAOYSA-N -1 1 404.304 4.455 20 0 HIADMM CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436521737 861834280 /nfs/dbraw/zinc/83/42/80/861834280.db2.gz GZCWDEPTVQVYLC-UHFFFAOYSA-N -1 1 406.866 4.305 20 0 HIADMM Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1N(C)C ZINC000031236664 847849231 /nfs/dbraw/zinc/84/92/31/847849231.db2.gz AOLPVNJQMILUDO-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(N(C)C)c(C)c3)c2)c1 ZINC000031236697 847849286 /nfs/dbraw/zinc/84/92/86/847849286.db2.gz RGTPTFNTRQDFSE-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cc1ccc(C(=O)N(C)Cc2cccs2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000031346294 847867581 /nfs/dbraw/zinc/86/75/81/847867581.db2.gz HPQNRBDYSHUXBW-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000436549277 861846960 /nfs/dbraw/zinc/84/69/60/861846960.db2.gz VOBIQTCFYFLIFT-GTNSWQLSSA-N -1 1 410.695 4.410 20 0 HIADMM CC(C)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436551836 861847729 /nfs/dbraw/zinc/84/77/29/861847729.db2.gz AIYVENNUCRGLMP-UHFFFAOYSA-N -1 1 413.861 4.215 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cccc(Br)c3)c2)n1 ZINC000031776665 847947226 /nfs/dbraw/zinc/94/72/26/847947226.db2.gz ODBWWCCIEGDOLG-UHFFFAOYSA-N -1 1 404.289 4.015 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2cc(Cl)ccn2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436568317 861855173 /nfs/dbraw/zinc/85/51/73/861855173.db2.gz SGFOPMAKDUEIIE-UHFFFAOYSA-N -1 1 403.772 4.223 20 0 HIADMM CCOc1cc(-c2noc(-c3cccnc3OC(C)C)n2)cc(Br)c1[O-] ZINC000436560997 861852150 /nfs/dbraw/zinc/85/21/50/861852150.db2.gz AMFLMNKQZXFRGB-UHFFFAOYSA-N -1 1 420.263 4.453 20 0 HIADMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2N1 ZINC000032097792 847986746 /nfs/dbraw/zinc/98/67/46/847986746.db2.gz DGKLHRSXCCOHNM-UHFFFAOYSA-N -1 1 422.787 4.183 20 0 HIADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccccc3SC3CCCC3)ccc21 ZINC000032094462 847986874 /nfs/dbraw/zinc/98/68/74/847986874.db2.gz HOQHRGIMDBCYFX-UHFFFAOYSA-N -1 1 402.541 4.041 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(=O)c2ccco2)cc1 ZINC000032098219 847987871 /nfs/dbraw/zinc/98/78/71/847987871.db2.gz WANDVJYZRAWISI-UHFFFAOYSA-N -1 1 420.874 4.385 20 0 HIADMM Cc1ncc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])cn1 ZINC000436564428 861853555 /nfs/dbraw/zinc/85/35/55/861853555.db2.gz HHIKBQGTXDGABO-UHFFFAOYSA-N -1 1 417.252 4.302 20 0 HIADMM O=C(Nc1ccc2ncsc2c1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436572205 861856255 /nfs/dbraw/zinc/85/62/55/861856255.db2.gz DOLVDDXURGYLKW-IBGZPJMESA-N -1 1 417.490 4.398 20 0 HIADMM Cn1cnc2cc(NC(=O)c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])ccc21 ZINC000436572693 861856719 /nfs/dbraw/zinc/85/67/19/861856719.db2.gz FXMZCESKWRNPQM-UHFFFAOYSA-N -1 1 422.391 4.062 20 0 HIADMM CC(C)(CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000032447873 848029981 /nfs/dbraw/zinc/02/99/81/848029981.db2.gz SGVWGELMYKZYAN-UHFFFAOYSA-N -1 1 408.523 4.195 20 0 HIADMM CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C1 ZINC000436575185 861857548 /nfs/dbraw/zinc/85/75/48/861857548.db2.gz HYOSFDSTFVRDHL-CYBMUJFWSA-N -1 1 417.303 4.279 20 0 HIADMM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1c(F)cccc1F ZINC000436581122 861858616 /nfs/dbraw/zinc/85/86/16/861858616.db2.gz IPUIRRRLMSZPMA-VLIAUNLRSA-N -1 1 424.447 4.306 20 0 HIADMM Cc1ccc(Oc2ccccc2NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000032590669 848051381 /nfs/dbraw/zinc/05/13/81/848051381.db2.gz HOXCXNVWFSJGLD-UHFFFAOYSA-N -1 1 413.451 4.052 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c2ccccc12 ZINC000032592298 848051566 /nfs/dbraw/zinc/05/15/66/848051566.db2.gz OPNOMYUIIPZZJB-UHFFFAOYSA-N -1 1 422.510 4.068 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)N(CC)CC)c2)cc1 ZINC000032628307 848055896 /nfs/dbraw/zinc/05/58/96/848055896.db2.gz JVXSOAJHMZYVSI-KRWDZBQOSA-N -1 1 418.559 4.248 20 0 HIADMM CC(=O)Nc1ccc(C)c(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c1 ZINC000032690595 848064807 /nfs/dbraw/zinc/06/48/07/848064807.db2.gz KZVFPBGDNLKIPL-UHFFFAOYSA-N -1 1 409.515 4.212 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCC2)c([O-])c1)c1cccc(Br)c1 ZINC000032743919 848070679 /nfs/dbraw/zinc/07/06/79/848070679.db2.gz YCCPYBYJESONEH-UHFFFAOYSA-N -1 1 403.276 4.079 20 0 HIADMM COC[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])C1CC1 ZINC000436600523 861863835 /nfs/dbraw/zinc/86/38/35/861863835.db2.gz GLNXDRXOWVIAMU-KRWDZBQOSA-N -1 1 423.296 4.106 20 0 HIADMM C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436599974 861864071 /nfs/dbraw/zinc/86/40/71/861864071.db2.gz FXOSCXGBSDSUMS-WZONZLPQSA-N -1 1 416.521 4.288 20 0 HIADMM COCCN(Cc1sccc1Br)C(=O)c1cc(Cl)ccc1[O-] ZINC000436602083 861865064 /nfs/dbraw/zinc/86/50/64/861865064.db2.gz JTPKGSCGXMCYHX-UHFFFAOYSA-N -1 1 404.713 4.158 20 0 HIADMM COc1ccccc1-c1csc(C2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000436603401 861866079 /nfs/dbraw/zinc/86/60/79/861866079.db2.gz AYUNKAWBNDGAIB-UHFFFAOYSA-N -1 1 422.506 4.113 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)c2)cc1 ZINC000033097846 848108476 /nfs/dbraw/zinc/10/84/76/848108476.db2.gz UHIHOCLFSVVWGJ-VQIMIIECSA-N -1 1 416.543 4.147 20 0 HIADMM C[C@H]1CCC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000033098107 848108753 /nfs/dbraw/zinc/10/87/53/848108753.db2.gz XDINGCCJNRAROH-KXBFYZLASA-N -1 1 404.507 4.277 20 0 HIADMM CCOc1cc(-c2noc(CSCC(F)(F)F)n2)cc(Br)c1[O-] ZINC000436605878 861866984 /nfs/dbraw/zinc/86/69/84/861866984.db2.gz MBHVGPXXPQYQSH-UHFFFAOYSA-N -1 1 413.215 4.399 20 0 HIADMM O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1ccc2ccccc2c1[O-] ZINC000436607341 861867593 /nfs/dbraw/zinc/86/75/93/861867593.db2.gz RVKQEYCRAWAWCL-QGZVFWFLSA-N -1 1 421.497 4.412 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc2)ccc1F ZINC000033181652 848120539 /nfs/dbraw/zinc/12/05/39/848120539.db2.gz QYGIEWQCYSKHGN-KBXCAEBGSA-N -1 1 404.507 4.243 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@H](C)C3)c2)cc1 ZINC000033181627 848121115 /nfs/dbraw/zinc/12/11/15/848121115.db2.gz SACPQEKEEXAYIO-LPHOPBHVSA-N -1 1 416.543 4.195 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)Cc3ccco3)ccc2C)cc1 ZINC000033206747 848125603 /nfs/dbraw/zinc/12/56/03/848125603.db2.gz DKNFBUSHSMXLBH-QGZVFWFLSA-N -1 1 412.511 4.058 20 0 HIADMM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(F)cc1F ZINC000436608373 861868691 /nfs/dbraw/zinc/86/86/91/861868691.db2.gz UEHPTZVLUASOLV-SZNDQCEHSA-N -1 1 424.447 4.306 20 0 HIADMM COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436608695 861868752 /nfs/dbraw/zinc/86/87/52/861868752.db2.gz VINRXJNZEZBJAP-UHFFFAOYSA-N -1 1 406.482 4.422 20 0 HIADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000033233336 848130676 /nfs/dbraw/zinc/13/06/76/848130676.db2.gz HMRLMHSHESDPRW-INIZCTEOSA-N -1 1 412.486 4.460 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436613253 861870283 /nfs/dbraw/zinc/87/02/83/861870283.db2.gz UAIGAKBVVORMDT-GOSISDBHSA-N -1 1 410.857 4.148 20 0 HIADMM Cc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000436618780 861872684 /nfs/dbraw/zinc/87/26/84/861872684.db2.gz MVNIKZZCQBPMOU-HSZRJFAPSA-N -1 1 416.521 4.126 20 0 HIADMM Cc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000436618781 861872877 /nfs/dbraw/zinc/87/28/77/861872877.db2.gz MVNIKZZCQBPMOU-QHCPKHFHSA-N -1 1 416.521 4.126 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1cc(Br)cnc1Cl ZINC000041065735 848200625 /nfs/dbraw/zinc/20/06/25/848200625.db2.gz XXXFDPWPYUGZSU-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM O=C(Nc1ccc2c(c1)CCCO2)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436637341 861877331 /nfs/dbraw/zinc/87/73/31/861877331.db2.gz XLDYPHAQYXBATL-OAQYLSRUSA-N -1 1 416.477 4.114 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(OCCc2ccccc2)CC1 ZINC000436649791 861881836 /nfs/dbraw/zinc/88/18/36/861881836.db2.gz QEZKSCVFRLWGJO-UHFFFAOYSA-N -1 1 404.304 4.019 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(COCCOC)cc3)n2)cc(Cl)c1[O-] ZINC000436653626 861882562 /nfs/dbraw/zinc/88/25/62/861882562.db2.gz BLYWVIZXYAGLHC-UHFFFAOYSA-N -1 1 404.850 4.324 20 0 HIADMM CN(CCc1cccc(Br)c1)C(=O)c1ccc(Br)cc1[O-] ZINC000436654394 861882994 /nfs/dbraw/zinc/88/29/94/861882994.db2.gz ITUCTZCAFPBHGU-UHFFFAOYSA-N -1 1 413.109 4.232 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000041958841 848268624 /nfs/dbraw/zinc/26/86/24/848268624.db2.gz DRRCANCJAQOYFH-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000042091366 848284559 /nfs/dbraw/zinc/28/45/59/848284559.db2.gz TZLQWJUYQOYFIE-UHFFFAOYSA-N -1 1 412.449 4.114 20 0 HIADMM CCOc1cc(-c2noc(C[C@H]3CCO[C@H](CC)C3)n2)cc(Br)c1[O-] ZINC000436695973 861896064 /nfs/dbraw/zinc/89/60/64/861896064.db2.gz HAQORPGUVVOFNV-WCQYABFASA-N -1 1 411.296 4.351 20 0 HIADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CC[C@@H](c3ccccc3)O2)cc1[O-] ZINC000436704060 861897531 /nfs/dbraw/zinc/89/75/31/861897531.db2.gz FWLJNWVHMVTOOW-FCHUYYIVSA-N -1 1 408.498 4.314 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000436708676 861898602 /nfs/dbraw/zinc/89/86/02/861898602.db2.gz KEDQALZFRFVOSM-UHFFFAOYSA-N -1 1 400.438 4.010 20 0 HIADMM COc1cc(OC)cc(C2(F)CCN(C(=O)c3cc(Cl)c([O-])c(OC)c3)CC2)c1 ZINC000436713200 861899631 /nfs/dbraw/zinc/89/96/31/861899631.db2.gz IOCPTMZHWUPPDP-UHFFFAOYSA-N -1 1 423.868 4.172 20 0 HIADMM CCCN(C(=O)c1ccc(Cl)cc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000436719636 861905580 /nfs/dbraw/zinc/90/55/80/861905580.db2.gz PGEKNLSYEGFICP-UHFFFAOYSA-N -1 1 400.906 4.203 20 0 HIADMM COc1ccc(NC(=S)Nc2ccc3ccccc3c2)cc1[N-]S(C)(=O)=O ZINC000044073718 848509751 /nfs/dbraw/zinc/50/97/51/848509751.db2.gz CUIJAIBVNAEOCA-UHFFFAOYSA-N -1 1 401.513 4.029 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CC[C@H](CC3CC3)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436724248 861912110 /nfs/dbraw/zinc/91/21/10/861912110.db2.gz QVOWLWNCOOFQOS-CQSZACIVSA-N -1 1 400.425 4.185 20 0 HIADMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436742273 861925888 /nfs/dbraw/zinc/92/58/88/861925888.db2.gz XBXJRIMMSMXZBN-UHFFFAOYSA-N -1 1 404.182 4.326 20 0 HIADMM CCN(Cc1cccs1)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436745469 861927974 /nfs/dbraw/zinc/92/79/74/861927974.db2.gz UUJAFHRSKOTYTC-HXUWFJFHSA-N -1 1 408.523 4.260 20 0 HIADMM CCCCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1)C1CC1 ZINC000045369088 848671858 /nfs/dbraw/zinc/67/18/58/848671858.db2.gz SAEJSKIYPAFAIT-UHFFFAOYSA-N -1 1 414.527 4.095 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000045431503 848679180 /nfs/dbraw/zinc/67/91/80/848679180.db2.gz VQIPTEDYHHALAL-UHFFFAOYSA-N -1 1 410.543 4.410 20 0 HIADMM COc1ccccc1OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000045932073 848752785 /nfs/dbraw/zinc/75/27/85/848752785.db2.gz VJLMHWSTQZMYHM-UHFFFAOYSA-N -1 1 415.442 4.163 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3C)c([O-])c2)c1 ZINC000436755947 861940563 /nfs/dbraw/zinc/94/05/63/861940563.db2.gz PCIQCNJUIWSOJD-UHFFFAOYSA-N -1 1 424.428 4.362 20 0 HIADMM CCc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436756458 861940625 /nfs/dbraw/zinc/94/06/25/861940625.db2.gz QHLTVELSGILFFD-UHFFFAOYSA-N -1 1 420.465 4.476 20 0 HIADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(Cl)cc1 ZINC000436756018 861940706 /nfs/dbraw/zinc/94/07/06/861940706.db2.gz PKMGBHXYYYQHJW-INIZCTEOSA-N -1 1 420.694 4.061 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000436757043 861944847 /nfs/dbraw/zinc/94/48/47/861944847.db2.gz FYFVMWAOFXJYMD-HNNXBMFYSA-N -1 1 402.372 4.253 20 0 HIADMM CCOc1cc(-c2noc(COc3ccc(F)cc3)n2)cc(Br)c1[O-] ZINC000436758037 861945284 /nfs/dbraw/zinc/94/52/84/861945284.db2.gz XFPHXUCXBKTTQZ-UHFFFAOYSA-N -1 1 409.211 4.322 20 0 HIADMM CC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436756984 861945513 /nfs/dbraw/zinc/94/55/13/861945513.db2.gz UOKUQXUBASUGMJ-QGZVFWFLSA-N -1 1 412.486 4.066 20 0 HIADMM C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1)n1cccn1 ZINC000436759641 861948568 /nfs/dbraw/zinc/94/85/68/861948568.db2.gz DBEIWXYNVXXATG-HNNXBMFYSA-N -1 1 400.438 4.194 20 0 HIADMM CC[C@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000046466438 848854639 /nfs/dbraw/zinc/85/46/39/848854639.db2.gz VRNSXEACVIGZCK-INIZCTEOSA-N -1 1 408.470 4.170 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc(OC(F)F)c1 ZINC000046588242 848881167 /nfs/dbraw/zinc/88/11/67/848881167.db2.gz UGWLTZRRSAJSGR-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM COCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000046592019 848881582 /nfs/dbraw/zinc/88/15/82/848881582.db2.gz LVIBXDGNFMCHHS-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591969 848881739 /nfs/dbraw/zinc/88/17/39/848881739.db2.gz RVXGHULYESRRNY-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM C[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000046611514 848885198 /nfs/dbraw/zinc/88/51/98/848885198.db2.gz MGSYJVOERRQBHR-CQSZACIVSA-N -1 1 418.440 4.359 20 0 HIADMM Cc1ccc(NC(=O)c2cc(Cl)cn2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612053 848886194 /nfs/dbraw/zinc/88/61/94/848886194.db2.gz MZGNTYVTFBUNHS-UHFFFAOYSA-N -1 1 403.891 4.040 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000436764058 861954663 /nfs/dbraw/zinc/95/46/63/861954663.db2.gz NXDXHORGPIQEAA-MRXNPFEDSA-N -1 1 403.759 4.417 20 0 HIADMM C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1)n1cccn1 ZINC000436765726 861957689 /nfs/dbraw/zinc/95/76/89/861957689.db2.gz YEWHTCKCORHLEU-GFCCVEGCSA-N -1 1 418.375 4.060 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1 ZINC000046870286 848950408 /nfs/dbraw/zinc/95/04/08/848950408.db2.gz YJBDOCIHNFXGNC-UHFFFAOYSA-N -1 1 414.499 4.284 20 0 HIADMM CCOc1cc(-c2noc(CN(C)Cc3ccccc3)n2)cc(Br)c1[O-] ZINC000436771357 861962545 /nfs/dbraw/zinc/96/25/45/861962545.db2.gz UIXCDHUAMYBGNG-UHFFFAOYSA-N -1 1 418.291 4.235 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(-c2ccccc2)no1 ZINC000047120062 848987741 /nfs/dbraw/zinc/98/77/41/848987741.db2.gz ZWVMKOKCLKCGLR-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCOc2cccc(Cl)c2)cc1 ZINC000047201506 849002739 /nfs/dbraw/zinc/00/27/39/849002739.db2.gz VONINVBBGZCQNM-UHFFFAOYSA-N -1 1 416.934 4.155 20 0 HIADMM CCCc1cnc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436777939 861968907 /nfs/dbraw/zinc/96/89/07/861968907.db2.gz PRYCEQSNSOQWPA-GOSISDBHSA-N -1 1 409.511 4.198 20 0 HIADMM CCCc1ccc([C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C(C)C)cc1 ZINC000047328237 849027005 /nfs/dbraw/zinc/02/70/05/849027005.db2.gz DKULCNFBCOKERV-HSZRJFAPSA-N -1 1 418.541 4.149 20 0 HIADMM N#C[C@@H](C(=O)Cc1ccc2c(c1)CCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362030 849032426 /nfs/dbraw/zinc/03/24/26/849032426.db2.gz BYCUXAQIWBCYMQ-SFHVURJKSA-N -1 1 417.534 4.161 20 0 HIADMM O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1O ZINC000436782908 861975948 /nfs/dbraw/zinc/97/59/48/861975948.db2.gz ZTCOTNNRJKGMTE-UHFFFAOYSA-N -1 1 424.469 4.193 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Br)ccc2NC(C)C)c1 ZINC000436791234 861985042 /nfs/dbraw/zinc/98/50/42/861985042.db2.gz QYBKBCGXNXVIHT-UHFFFAOYSA-N -1 1 406.280 4.186 20 0 HIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000436798808 861991014 /nfs/dbraw/zinc/99/10/14/861991014.db2.gz VRIJFDRXPPXSTD-SFHVURJKSA-N -1 1 405.281 4.287 20 0 HIADMM CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc([O-])cc3F)c2)c1 ZINC000436809064 861996812 /nfs/dbraw/zinc/99/68/12/861996812.db2.gz RMDOTPSJIJQCKT-UHFFFAOYSA-N -1 1 422.412 4.213 20 0 HIADMM COc1ccccc1COc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1C ZINC000436814703 861998607 /nfs/dbraw/zinc/99/86/07/861998607.db2.gz LFNFVWFHHHXYSN-UHFFFAOYSA-N -1 1 420.465 4.499 20 0 HIADMM CCOc1cc(-c2noc(/C=C\c3cnccc3C)n2)cc(Br)c1[O-] ZINC000436819768 862004152 /nfs/dbraw/zinc/00/41/52/862004152.db2.gz JIMOOQBWUJINBW-PLNGDYQASA-N -1 1 402.248 4.477 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)c1 ZINC000050178413 849360921 /nfs/dbraw/zinc/36/09/21/849360921.db2.gz LYJCJCCSQFUAKF-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM O=C(N[C@H]1CCCc2sccc21)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436828563 862010108 /nfs/dbraw/zinc/01/01/08/862010108.db2.gz YVWNNPUQGDFMMA-VQTJNVASSA-N -1 1 420.534 4.405 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000436836995 862017741 /nfs/dbraw/zinc/01/77/41/862017741.db2.gz FOTFBHANRCMGDO-IBGZPJMESA-N -1 1 407.470 4.190 20 0 HIADMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000051286272 849453444 /nfs/dbraw/zinc/45/34/44/849453444.db2.gz UTGVAIWVVLXYDC-HNNXBMFYSA-N -1 1 401.890 4.243 20 0 HIADMM CSc1nc(C)c(CCC(=O)Oc2ccccc2SC(F)(F)F)c(=O)[n-]1 ZINC000052023372 849541704 /nfs/dbraw/zinc/54/17/04/849541704.db2.gz VGGNQUFCFBDJAD-UHFFFAOYSA-N -1 1 404.435 4.363 20 0 HIADMM O=C(N[C@@H]1CSc2ccccc21)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436859082 862039863 /nfs/dbraw/zinc/03/98/63/862039863.db2.gz WTMCWEGIZSAKEJ-WOJBJXKFSA-N -1 1 418.518 4.113 20 0 HIADMM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000436862500 862042413 /nfs/dbraw/zinc/04/24/13/862042413.db2.gz ZHOXAVCSKIDTMV-CYBMUJFWSA-N -1 1 406.889 4.370 20 0 HIADMM CCOc1cc(-c2noc(Cc3cccc(N4CCCC4=O)c3)n2)cc(Cl)c1[O-] ZINC000436878943 862057046 /nfs/dbraw/zinc/05/70/46/862057046.db2.gz LELNTKLCUVHQMZ-UHFFFAOYSA-N -1 1 413.861 4.212 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)c1 ZINC000436885268 862062287 /nfs/dbraw/zinc/06/22/87/862062287.db2.gz HAYDELIJQJCWKT-UHFFFAOYSA-N -1 1 407.348 4.147 20 0 HIADMM COc1cc(-c2nc([C@H](NC(=O)c3ccccc3)C(C)C)no2)cc(Cl)c1[O-] ZINC000436887923 862065470 /nfs/dbraw/zinc/06/54/70/862065470.db2.gz RPTNUIDHPRVMRS-MRXNPFEDSA-N -1 1 401.850 4.231 20 0 HIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cc(Br)ccc1[O-] ZINC000436890657 862067661 /nfs/dbraw/zinc/06/76/61/862067661.db2.gz DAUSQBQLBDPXIB-MRVPVSSYSA-N -1 1 420.229 4.021 20 0 HIADMM COc1ccccc1-c1nc(C2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)no1 ZINC000436890870 862067985 /nfs/dbraw/zinc/06/79/85/862067985.db2.gz VQSIBZDYDNGTRY-UHFFFAOYSA-N -1 1 413.861 4.124 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)c(=O)[n-]1 ZINC000054668966 849903420 /nfs/dbraw/zinc/90/34/20/849903420.db2.gz MIPOQNPKIAFMHV-SECBINFHSA-N -1 1 418.321 4.056 20 0 HIADMM O=C1c2ccccc2N[C@@H](c2cccc(Br)c2[O-])N1CC(F)(F)F ZINC000054681628 849907022 /nfs/dbraw/zinc/90/70/22/849907022.db2.gz ZFHPMVOSYQVPPY-CQSZACIVSA-N -1 1 401.182 4.284 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)n1 ZINC000054912718 849940341 /nfs/dbraw/zinc/94/03/41/849940341.db2.gz GGVJHZXSMSMSEM-UHFFFAOYSA-N -1 1 414.556 4.464 20 0 HIADMM O=C(Nc1nc(-c2sccc2Br)cs1)C(=O)c1ccc([O-])cc1 ZINC000436902697 862077685 /nfs/dbraw/zinc/07/76/85/862077685.db2.gz GBJDJCIUDIIFTA-UHFFFAOYSA-N -1 1 409.286 4.161 20 0 HIADMM O=C(CSCc1ccc(Cl)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315206 849999311 /nfs/dbraw/zinc/99/93/11/849999311.db2.gz OCSRYGRQZVHHLT-UHFFFAOYSA-N -1 1 403.931 4.400 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1F ZINC000055580890 850061358 /nfs/dbraw/zinc/06/13/58/850061358.db2.gz GMQUMXYFKRSZAE-UHFFFAOYSA-N -1 1 418.469 4.059 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3cccc(OC4CCCC4)c3)ccc2N1 ZINC000055583694 850063299 /nfs/dbraw/zinc/06/32/99/850063299.db2.gz AJAGZLZUVFUFIR-UHFFFAOYSA-N -1 1 400.500 4.084 20 0 HIADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1Cl ZINC000055677049 850106844 /nfs/dbraw/zinc/10/68/44/850106844.db2.gz WZIISXBVPZVSFM-UHFFFAOYSA-N -1 1 400.887 4.167 20 0 HIADMM Cc1ccc(-c2nc(C(=O)Nc3n[nH]c(-c4ccc([O-])c(Cl)c4)n3)cs2)o1 ZINC000436913307 862092247 /nfs/dbraw/zinc/09/22/47/862092247.db2.gz IYNIFAKMHZOCFU-UHFFFAOYSA-N -1 1 401.835 4.108 20 0 HIADMM O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)C(=O)c1ccc([O-])cc1 ZINC000436918079 862098654 /nfs/dbraw/zinc/09/86/54/862098654.db2.gz DMFGHCHZRUTJGN-IBGZPJMESA-N -1 1 401.796 4.412 20 0 HIADMM Cc1nc(CCC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)oc1-c1ccccc1 ZINC000436920690 862100975 /nfs/dbraw/zinc/10/09/75/862100975.db2.gz SJYBHPQISVGWCB-UHFFFAOYSA-N -1 1 423.860 4.365 20 0 HIADMM Cc1nc(CCC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)oc1-c1ccccc1 ZINC000436920690 862100980 /nfs/dbraw/zinc/10/09/80/862100980.db2.gz SJYBHPQISVGWCB-UHFFFAOYSA-N -1 1 423.860 4.365 20 0 HIADMM CCc1nc(C)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436922681 862103817 /nfs/dbraw/zinc/10/38/17/862103817.db2.gz ZPDDSMWQQYTFHC-KRWDZBQOSA-N -1 1 409.511 4.116 20 0 HIADMM CN(C(=O)c1cc(Br)ccc1[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000436942013 862120541 /nfs/dbraw/zinc/12/05/41/862120541.db2.gz SSCYLICAGJJBMN-CRAIPNDOSA-N -1 1 408.267 4.286 20 0 HIADMM COc1ccc([C@H](Cc2ccccc2C)NC(=O)C(=O)c2ccc([O-])cc2)cc1OC ZINC000436943331 862120557 /nfs/dbraw/zinc/12/05/57/862120557.db2.gz LQBTXVUTMUCKJU-NRFANRHFSA-N -1 1 419.477 4.001 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N([C@H](C)C3CC3)C3CC3)c2)cc1F ZINC000056934474 850519348 /nfs/dbraw/zinc/51/93/48/850519348.db2.gz IQXDEDSUJVQTTD-OAHLLOKOSA-N -1 1 416.518 4.338 20 0 HIADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000057103478 850549113 /nfs/dbraw/zinc/54/91/13/850549113.db2.gz KVDDGIUAOAYDLO-AWEZNQCLSA-N -1 1 416.355 4.165 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2csnn2)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000057120223 850551946 /nfs/dbraw/zinc/55/19/46/850551946.db2.gz NBNBDJUJPGNGBG-UHFFFAOYSA-N -1 1 417.846 4.261 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1Cl ZINC000057121117 850552283 /nfs/dbraw/zinc/55/22/83/850552283.db2.gz WKIZYTGGFVBJLH-UHFFFAOYSA-N -1 1 401.315 4.242 20 0 HIADMM Cc1ccc(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000057207709 850579557 /nfs/dbraw/zinc/57/95/57/850579557.db2.gz YGOMEQAZLHESGB-UHFFFAOYSA-N -1 1 404.488 4.178 20 0 HIADMM COc1cc(CNC(=O)c2ccc3ccccc3c2[O-])cc(Br)c1OC ZINC000436965443 862146255 /nfs/dbraw/zinc/14/62/55/862146255.db2.gz RXDLWLKJZBAPGK-UHFFFAOYSA-N -1 1 416.271 4.255 20 0 HIADMM Cc1cccc(OCCCCC(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)c1 ZINC000057430608 850635776 /nfs/dbraw/zinc/63/57/76/850635776.db2.gz JXFGTRARHZSZMU-UHFFFAOYSA-N -1 1 417.560 4.021 20 0 HIADMM N#CCSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058142885 850773118 /nfs/dbraw/zinc/77/31/18/850773118.db2.gz GHCRUXMYKWGVCE-UHFFFAOYSA-N -1 1 423.519 4.355 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cc(O)ccc1C(F)(F)F ZINC000436990153 862167490 /nfs/dbraw/zinc/16/74/90/862167490.db2.gz PAJWMQWBSDZCRI-UHFFFAOYSA-N -1 1 422.403 4.431 20 0 HIADMM COCc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000058290197 850793588 /nfs/dbraw/zinc/79/35/88/850793588.db2.gz JWHGTXAEQYWCGG-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM COc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1OC ZINC000058474014 850834738 /nfs/dbraw/zinc/83/47/38/850834738.db2.gz BLPUBZKJEOVBPV-UHFFFAOYSA-N -1 1 424.733 4.185 20 0 HIADMM CS(=O)(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000058497623 850840078 /nfs/dbraw/zinc/84/00/78/850840078.db2.gz FLMUGNPBEARTTQ-UHFFFAOYSA-N -1 1 407.557 4.080 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(Cc3cccnc3)C(C)C)c2)c1 ZINC000058572357 850859273 /nfs/dbraw/zinc/85/92/73/850859273.db2.gz GVDQPIPJJHNWCW-UHFFFAOYSA-N -1 1 423.538 4.242 20 0 HIADMM Cn1c(Cc2csc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n2)n[n-]c1=S ZINC000058679025 850886176 /nfs/dbraw/zinc/88/61/76/850886176.db2.gz ZARFLBIZNXIZCM-UHFFFAOYSA-N -1 1 421.551 4.373 20 0 HIADMM Cc1ncsc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000058941346 850963378 /nfs/dbraw/zinc/96/33/78/850963378.db2.gz MGJAOJYBTGPCLT-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)o1 ZINC000060106731 851043458 /nfs/dbraw/zinc/04/34/58/851043458.db2.gz SICFXWGYUVWPCR-UHFFFAOYSA-N -1 1 422.915 4.245 20 0 HIADMM CCc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401420 851088526 /nfs/dbraw/zinc/08/85/26/851088526.db2.gz MBHKZKDUSZHNLW-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM COc1ccccc1CCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060412069 851090750 /nfs/dbraw/zinc/09/07/50/851090750.db2.gz SNUFCBFVNBTIAL-UHFFFAOYSA-N -1 1 424.522 4.376 20 0 HIADMM Cc1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412157 851091282 /nfs/dbraw/zinc/09/12/82/851091282.db2.gz MEZIRNHVLWWSNL-UHFFFAOYSA-N -1 1 422.466 4.031 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(O)cc3)c2)c1 ZINC000060481761 851113215 /nfs/dbraw/zinc/11/32/15/851113215.db2.gz IRFBEZLKJCJYDK-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM CCCNC(=O)c1cccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c1 ZINC000060645258 851178352 /nfs/dbraw/zinc/17/83/52/851178352.db2.gz ZVGJMXMCYUZRST-UHFFFAOYSA-N -1 1 423.542 4.085 20 0 HIADMM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000060756720 851204771 /nfs/dbraw/zinc/20/47/71/851204771.db2.gz NNXNLSDASZFYTJ-LJQANCHMSA-N -1 1 418.877 4.137 20 0 HIADMM COc1ccc(CCCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000061067496 851287339 /nfs/dbraw/zinc/28/73/39/851287339.db2.gz QQGMCWQNJHZFTC-QGZVFWFLSA-N -1 1 421.522 4.071 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000062295850 851526234 /nfs/dbraw/zinc/52/62/34/851526234.db2.gz MTQPZGUHIMCEIW-JOCHJYFZSA-N -1 1 423.490 4.229 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000062300364 851527489 /nfs/dbraw/zinc/52/74/89/851527489.db2.gz HSOMTNQKCYSBCX-RTWAWAEBSA-N -1 1 424.497 4.221 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc2ccccc2nc1Cl ZINC000062481890 851561129 /nfs/dbraw/zinc/56/11/29/851561129.db2.gz RCBHINHEPYEGNS-UHFFFAOYSA-N -1 1 418.902 4.397 20 0 HIADMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)c1C ZINC000063181401 851629629 /nfs/dbraw/zinc/62/96/29/851629629.db2.gz VJISMLRAFMDWIM-UHFFFAOYSA-N -1 1 421.475 4.217 20 0 HIADMM CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)CCS1 ZINC000437078453 862272393 /nfs/dbraw/zinc/27/23/93/862272393.db2.gz BJCULXYYFBCBTD-GOSISDBHSA-N -1 1 418.584 4.072 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC=C(c3cccc4ccccc43)CC2)c(=O)[n-]1 ZINC000063691248 851741903 /nfs/dbraw/zinc/74/19/03/851741903.db2.gz RNBWWVHTDAZBFY-UHFFFAOYSA-N -1 1 419.550 4.202 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1C ZINC000063879231 851783799 /nfs/dbraw/zinc/78/37/99/851783799.db2.gz FKUAWINQPCYZII-UHFFFAOYSA-N -1 1 418.540 4.308 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(C)=O ZINC000063911974 851791158 /nfs/dbraw/zinc/79/11/58/851791158.db2.gz PUOAZVZZOZYAJK-UHFFFAOYSA-N -1 1 418.412 4.014 20 0 HIADMM CC(C)(C)OCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000063953670 851802982 /nfs/dbraw/zinc/80/29/82/851802982.db2.gz WPWYSSNTNMVEAA-UHFFFAOYSA-N -1 1 411.907 4.113 20 0 HIADMM CC(C)[C@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000064322774 851871132 /nfs/dbraw/zinc/87/11/32/851871132.db2.gz FPBAUQXQVUJGKQ-LJQANCHMSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000064354821 851877711 /nfs/dbraw/zinc/87/77/11/851877711.db2.gz JMBGHATVRYLRTQ-UHFFFAOYSA-N -1 1 402.882 4.064 20 0 HIADMM Cc1ccc(NC(=O)c2ccc3c(c2)COC3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000064488499 851911919 /nfs/dbraw/zinc/91/19/19/851911919.db2.gz ALJJNPUPPIKCNT-UHFFFAOYSA-N -1 1 408.479 4.078 20 0 HIADMM CSc1ccc(Cl)cc1[N-]C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000064848120 852002776 /nfs/dbraw/zinc/00/27/76/852002776.db2.gz DJWXNFAHXSFEFX-UHFFFAOYSA-N -1 1 414.936 4.000 20 0 HIADMM COc1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000064880106 852012235 /nfs/dbraw/zinc/01/22/35/852012235.db2.gz JCEVOFHHCVAAHK-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2C)c1C ZINC000065078976 852056530 /nfs/dbraw/zinc/05/65/30/852056530.db2.gz PADKNXPABHYDHK-UHFFFAOYSA-N -1 1 402.560 4.415 20 0 HIADMM O=C(CCCOCc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000065101336 852063655 /nfs/dbraw/zinc/06/36/55/852063655.db2.gz CTADFFMBPCNKLG-UHFFFAOYSA-N -1 1 424.522 4.423 20 0 HIADMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1 ZINC000065127854 852075215 /nfs/dbraw/zinc/07/52/15/852075215.db2.gz RCDVZLLUKKPKPD-OAHLLOKOSA-N -1 1 423.542 4.083 20 0 HIADMM COc1ccccc1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000065160126 852081468 /nfs/dbraw/zinc/08/14/68/852081468.db2.gz QZRBAYWADVRZHM-UHFFFAOYSA-N -1 1 424.522 4.389 20 0 HIADMM Cc1occc1CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000065689323 852219333 /nfs/dbraw/zinc/21/93/33/852219333.db2.gz FQHURHUWDQATMB-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000065833226 852275695 /nfs/dbraw/zinc/27/56/95/852275695.db2.gz ZDUVLIDGZDJZKX-UHFFFAOYSA-N -1 1 404.435 4.082 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)ccc1OC(C)C ZINC000065857430 852286822 /nfs/dbraw/zinc/28/68/22/852286822.db2.gz FSJNXUKAWHYSEW-HXUWFJFHSA-N -1 1 415.515 4.311 20 0 HIADMM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCS1 ZINC000437153042 862346074 /nfs/dbraw/zinc/34/60/74/862346074.db2.gz UWIMWADIWZKRID-KRWDZBQOSA-N -1 1 424.975 4.108 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000071962295 852448390 /nfs/dbraw/zinc/44/83/90/852448390.db2.gz UUEKWOITYOSBMA-UHFFFAOYSA-N -1 1 412.515 4.432 20 0 HIADMM CCO[C@H](CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000072027944 852472394 /nfs/dbraw/zinc/47/23/94/852472394.db2.gz KGKOESYQMRWQJY-QGZVFWFLSA-N -1 1 410.923 4.203 20 0 HIADMM O=S(=O)([N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccccc1C(F)(F)F ZINC000072035749 852478072 /nfs/dbraw/zinc/47/80/72/852478072.db2.gz ZDLFTEFOMWLRSE-HNNXBMFYSA-N -1 1 411.405 4.234 20 0 HIADMM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000072058411 852490204 /nfs/dbraw/zinc/49/02/04/852490204.db2.gz JUUOMOVDHVIZSK-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1(C)C ZINC000072081935 852500325 /nfs/dbraw/zinc/50/03/25/852500325.db2.gz BLQGUJSIEPVBBI-FPOVZHCZSA-N -1 1 412.555 4.342 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCCc3ccccn3)ccc2C)c1 ZINC000078493774 852515725 /nfs/dbraw/zinc/51/57/25/852515725.db2.gz VMGLKZKIXOIUIK-UHFFFAOYSA-N -1 1 423.538 4.461 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(F)c(F)cc3F)c2)cc1 ZINC000078508665 852517850 /nfs/dbraw/zinc/51/78/50/852517850.db2.gz CIDSJALWVBLRHZ-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000097548754 852627262 /nfs/dbraw/zinc/62/72/62/852627262.db2.gz WVLHAMUPJCHWGR-UHFFFAOYSA-N -1 1 422.425 4.419 20 0 HIADMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000097548762 852627318 /nfs/dbraw/zinc/62/73/18/852627318.db2.gz URYGKLDVYVEPLR-UHFFFAOYSA-N -1 1 415.334 4.024 20 0 HIADMM Cc1nc(CSc2ccc(C(=O)NCc3n[n-]c(=S)n3C3CC3)cc2)cs1 ZINC000097550932 852629496 /nfs/dbraw/zinc/62/94/96/852629496.db2.gz YAJIZHQACMCYTM-UHFFFAOYSA-N -1 1 417.585 4.263 20 0 HIADMM CCn1c(CCNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)n[n-]c1=S ZINC000097552864 852630343 /nfs/dbraw/zinc/63/03/43/852630343.db2.gz BOGKLFNVSRVLIM-VIFPVBQESA-N -1 1 405.376 4.107 20 0 HIADMM CCOc1cc(-c2ccccc2)sc1C(=O)NCCc1n[n-]c(=S)n1CC ZINC000097552874 852630431 /nfs/dbraw/zinc/63/04/31/852630431.db2.gz MZOJRHQAWPVINM-UHFFFAOYSA-N -1 1 402.545 4.060 20 0 HIADMM CC(C)n1c(C2CCN(C(=O)CCCOc3ccc(F)cc3F)CC2)n[n-]c1=S ZINC000097554994 852631497 /nfs/dbraw/zinc/63/14/97/852631497.db2.gz OEZNCAXAXFKFAB-UHFFFAOYSA-N -1 1 424.517 4.365 20 0 HIADMM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)c(O)c1 ZINC000105322858 852698249 /nfs/dbraw/zinc/69/82/49/852698249.db2.gz DEJVWPCKYIJVHV-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM COc1ccc(CC[C@@H](C)NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000109311559 852951078 /nfs/dbraw/zinc/95/10/78/852951078.db2.gz QFBJYMSKVRSNGR-QGZVFWFLSA-N -1 1 424.570 4.452 20 0 HIADMM O=C([N-]c1nnc(C(F)F)s1)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000109879273 853028155 /nfs/dbraw/zinc/02/81/55/853028155.db2.gz MVJKEVAGCICEKS-UHFFFAOYSA-N -1 1 404.427 4.037 20 0 HIADMM O=S(=O)([N-]c1ccnc(Sc2ccccn2)c1)c1cccc(C(F)(F)F)c1 ZINC000110686259 853138713 /nfs/dbraw/zinc/13/87/13/853138713.db2.gz RNYLBDLBXNDJRU-UHFFFAOYSA-N -1 1 411.430 4.447 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3C(C)C)cc2)cc1 ZINC000115906598 853271270 /nfs/dbraw/zinc/27/12/70/853271270.db2.gz CYSUBSGETMYQTO-OAQYLSRUSA-N -1 1 416.543 4.147 20 0 HIADMM C[C@@H](NC(=O)[C@H](C)OC(=O)c1c([O-])cc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000116405347 853302552 /nfs/dbraw/zinc/30/25/52/853302552.db2.gz VPNVHVORWORMMS-BDAKNGLRSA-N -1 1 418.223 4.400 20 0 HIADMM Cc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000138228512 853381103 /nfs/dbraw/zinc/38/11/03/853381103.db2.gz GNYQRKRKPMBQMU-MDRMPYQZSA-N -1 1 412.445 4.076 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000142079565 853486874 /nfs/dbraw/zinc/48/68/74/853486874.db2.gz BMCSHBIXGOLBSC-QGZVFWFLSA-N -1 1 414.918 4.330 20 0 HIADMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(Cl)s3)n2)c1 ZINC000149737516 853629671 /nfs/dbraw/zinc/62/96/71/853629671.db2.gz LQEFDVNHFGZKRH-LBPRGKRZSA-N -1 1 417.899 4.495 20 0 HIADMM COc1ccc2cc(/C=C\C(=O)OCc3cc(=O)oc4cc([O-])ccc34)ccc2c1 ZINC000214007090 853828162 /nfs/dbraw/zinc/82/81/62/853828162.db2.gz NOHAPNZPWQHXNQ-OQFOIZHKSA-N -1 1 402.402 4.417 20 0 HIADMM Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccc([O-])c(Br)c2)NC1=S ZINC000215919217 853840290 /nfs/dbraw/zinc/84/02/90/853840290.db2.gz RQTLXXPYZAGFOB-JYRVWZFOSA-N -1 1 423.719 4.379 20 0 HIADMM CC(C)(C)c1csc(NC(=O)c2ccc(I)c([O-])c2)n1 ZINC000230890197 853896101 /nfs/dbraw/zinc/89/61/01/853896101.db2.gz KFIKRRRVYLSPGC-UHFFFAOYSA-N -1 1 402.257 4.003 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CNc3ccccc3)ccc2C)c1 ZINC000237753965 854088500 /nfs/dbraw/zinc/08/85/00/854088500.db2.gz OWOANOGGSWJQNN-UHFFFAOYSA-N -1 1 409.511 4.155 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(N)ccc3C)cc2)cc1C ZINC000237857451 854109492 /nfs/dbraw/zinc/10/94/92/854109492.db2.gz YLHWUHGOGMULGZ-UHFFFAOYSA-N -1 1 409.511 4.247 20 0 HIADMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1cccnc1 ZINC000248274399 854189740 /nfs/dbraw/zinc/18/97/40/854189740.db2.gz XPUDCUGAYVVCCU-CQSZACIVSA-N -1 1 415.902 4.027 20 0 HIADMM Cc1ccc(C)n1-c1ccc(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)cc1 ZINC000255944535 854225928 /nfs/dbraw/zinc/22/59/28/854225928.db2.gz QDQYYENAHJUGCG-UHFFFAOYSA-N -1 1 402.281 4.476 20 0 HIADMM Cc1nc(-c2ccc(NCCOc3cccc(Br)c3)nc2)[n-]c(=O)c1C ZINC000301335917 854363310 /nfs/dbraw/zinc/36/33/10/854363310.db2.gz CWRQJWMWZGLOJA-UHFFFAOYSA-N -1 1 415.291 4.114 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H](C)c3ccc(N4CCCC4=O)cc3)nc2)[n-]c(=O)c1C ZINC000301341599 854365725 /nfs/dbraw/zinc/36/57/25/854365725.db2.gz FRRYAEXRTOHPOQ-INIZCTEOSA-N -1 1 403.486 4.161 20 0 HIADMM Cc1nc(-c2ccc(NCc3cc(F)cc(Br)c3)nc2)[n-]c(=O)c1C ZINC000301361854 854371059 /nfs/dbraw/zinc/37/10/59/854371059.db2.gz MDXZGNIETFLVQJ-UHFFFAOYSA-N -1 1 403.255 4.375 20 0 HIADMM O=c1[n-]c(Sc2nnc(-c3ccc(Cl)cc3)o2)nc2c1cnn2-c1ccccc1 ZINC000301377153 854375540 /nfs/dbraw/zinc/37/55/40/854375540.db2.gz YCCNOCKWMWWJNV-UHFFFAOYSA-N -1 1 422.857 4.376 20 0 HIADMM O=c1[n-]c(Oc2ccccc2OCC(F)(F)F)nc2c1cnn2-c1ccccc1 ZINC000301417891 854388298 /nfs/dbraw/zinc/38/82/98/854388298.db2.gz RHARMHZFGWNLBW-UHFFFAOYSA-N -1 1 402.332 4.255 20 0 HIADMM Cc1nc(-c2ccc(N[C@H]3CCN(c4ccc(Cl)c(F)c4)C3)nc2)[n-]c(=O)c1C ZINC000301902490 854489009 /nfs/dbraw/zinc/48/90/09/854489009.db2.gz ODUNCRUCJFEEBQ-HNNXBMFYSA-N -1 1 413.884 4.344 20 0 HIADMM Cc1nc2c(c(NCc3ccccc3[N-]S(=O)(=O)c3ccccc3)n1)CCCC2 ZINC000302070684 854526365 /nfs/dbraw/zinc/52/63/65/854526365.db2.gz YFEUKBGMTMLVIW-UHFFFAOYSA-N -1 1 408.527 4.077 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc1 ZINC000302849978 854655714 /nfs/dbraw/zinc/65/57/14/854655714.db2.gz STGJXSUXNYNXBB-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)cc1OCC ZINC000437324929 862592916 /nfs/dbraw/zinc/59/29/16/862592916.db2.gz QAOCESYBIPARAH-UHFFFAOYSA-N -1 1 400.500 4.450 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3ccc(Cl)cc32)cc1 ZINC000302941931 854689824 /nfs/dbraw/zinc/68/98/24/854689824.db2.gz BIJOGACGXGKWKG-UHFFFAOYSA-N -1 1 414.918 4.249 20 0 HIADMM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000303023724 854728126 /nfs/dbraw/zinc/72/81/26/854728126.db2.gz RQCUGZKUGRJIHY-CHWSQXEVSA-N -1 1 412.914 4.444 20 0 HIADMM CCCCc1nnc([N-]C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)s1 ZINC000303033877 854732368 /nfs/dbraw/zinc/73/23/68/854732368.db2.gz QKRHKBANYUPTAZ-UHFFFAOYSA-N -1 1 402.911 4.245 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000303093342 854757331 /nfs/dbraw/zinc/75/73/31/854757331.db2.gz DVUOHEXRAPTTFK-LBPRGKRZSA-N -1 1 420.821 4.279 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000303156142 854790623 /nfs/dbraw/zinc/79/06/23/854790623.db2.gz DKTZVIDRDPPTMH-SFHVURJKSA-N -1 1 421.551 4.278 20 0 HIADMM CCOc1ccc(OC)cc1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000303271635 854844523 /nfs/dbraw/zinc/84/45/23/854844523.db2.gz RHCGLOAXUZJFKU-UHFFFAOYSA-N -1 1 412.515 4.352 20 0 HIADMM CSC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000303379761 854900977 /nfs/dbraw/zinc/90/09/77/854900977.db2.gz VMTWXWNXOWUKBQ-ZDUSSCGKSA-N -1 1 412.964 4.387 20 0 HIADMM Cc1ccccc1[C@H](CC(C)C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000303520199 855007778 /nfs/dbraw/zinc/00/77/78/855007778.db2.gz PMFIZHOKEYEXOY-NRFANRHFSA-N -1 1 404.514 4.307 20 0 HIADMM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccnc1 ZINC000303544767 855030930 /nfs/dbraw/zinc/03/09/30/855030930.db2.gz GOXPFXNIVLOEAC-ZDUSSCGKSA-N -1 1 418.421 4.079 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCc3ccccc3C2)cc1 ZINC000303560931 855040825 /nfs/dbraw/zinc/04/08/25/855040825.db2.gz LFDLVRGCSYQQAF-FQEVSTJZSA-N -1 1 406.555 4.322 20 0 HIADMM CC(C)n1c2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2nc1C(F)(F)F ZINC000303600045 855070496 /nfs/dbraw/zinc/07/04/96/855070496.db2.gz JUXOEHGSVGIPHM-UHFFFAOYSA-N -1 1 406.290 4.025 20 0 HIADMM O=C([N-]c1nnc(C(F)F)s1)c1cc(Br)sc1Br ZINC000303680041 855128107 /nfs/dbraw/zinc/12/81/07/855128107.db2.gz ROFHLXGLAGLFPV-UHFFFAOYSA-N -1 1 419.070 4.315 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000303762813 855181963 /nfs/dbraw/zinc/18/19/63/855181963.db2.gz HVZOAYXRTWRAEP-QAPCUYQASA-N -1 1 410.518 4.460 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCC(C)C)c(Cl)c2)ccc1C ZINC000303767830 855186535 /nfs/dbraw/zinc/18/65/35/855186535.db2.gz MKOFBDPESHJPQB-UHFFFAOYSA-N -1 1 410.923 4.442 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000303794733 855201533 /nfs/dbraw/zinc/20/15/33/855201533.db2.gz IONYIFVFAVKFFO-LJQANCHMSA-N -1 1 424.526 4.113 20 0 HIADMM CCCC[C@@H](COC)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000303831494 855230033 /nfs/dbraw/zinc/23/00/33/855230033.db2.gz ZVGNCIOTOPTVGO-IBGZPJMESA-N -1 1 418.559 4.039 20 0 HIADMM [O-]c1cc(-c2nc(-c3cc(F)c(F)c(F)c3)no2)ccc1I ZINC000318382886 855383028 /nfs/dbraw/zinc/38/30/28/855383028.db2.gz GPSGIHPPVUKKIW-UHFFFAOYSA-N -1 1 418.112 4.131 20 0 HIADMM CCOc1ccccc1-c1noc(-c2ccc(I)c([O-])c2)n1 ZINC000318558474 855384639 /nfs/dbraw/zinc/38/46/39/855384639.db2.gz LXIASBUKQIMLPR-UHFFFAOYSA-N -1 1 408.195 4.113 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1ccc(Br)c(F)c1 ZINC000323103148 855394862 /nfs/dbraw/zinc/39/48/62/855394862.db2.gz NDAWHXMWSRALRZ-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000327226687 855416439 /nfs/dbraw/zinc/41/64/39/855416439.db2.gz AGTSRQUVVGOXHZ-FZZIBODNSA-N -1 1 405.709 4.303 20 0 HIADMM CCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000327835800 855420481 /nfs/dbraw/zinc/42/04/81/855420481.db2.gz QCLAWLFQBJEZQD-UHFFFAOYSA-N -1 1 404.271 4.281 20 0 HIADMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC000387912491 855446353 /nfs/dbraw/zinc/44/63/53/855446353.db2.gz VXPCVJOQAIOYCD-UHFFFAOYSA-N -1 1 401.351 4.220 20 0 HIADMM CCN(CC)c1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000389767985 855451495 /nfs/dbraw/zinc/45/14/95/855451495.db2.gz WCYUPMXYBWCBSU-UHFFFAOYSA-N -1 1 410.255 4.095 20 0 HIADMM CC(C)(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000392217235 855462953 /nfs/dbraw/zinc/46/29/53/855462953.db2.gz PZANPPGWGYGUNC-UHFFFAOYSA-N -1 1 412.305 4.246 20 0 HIADMM Cc1cc(-c2cc(C(=O)Nc3ccncc3[O-])c3cnn(C(C)C)c3n2)c(C)s1 ZINC000409453552 855486352 /nfs/dbraw/zinc/48/63/52/855486352.db2.gz URLKNMJYOUPZEJ-UHFFFAOYSA-N -1 1 407.499 4.132 20 0 HIADMM CCCc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n[nH]1 ZINC000409658068 855587745 /nfs/dbraw/zinc/58/77/45/855587745.db2.gz FGMCQWCZHQYEEK-UHFFFAOYSA-N -1 1 412.515 4.032 20 0 HIADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2c(F)cccc2Oc2ccccc2)c1 ZINC000410380809 855963512 /nfs/dbraw/zinc/96/35/12/855963512.db2.gz IJWGOJBYVMTMJQ-UHFFFAOYSA-N -1 1 420.849 4.171 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)c(F)c1 ZINC000410397112 855973032 /nfs/dbraw/zinc/97/30/32/855973032.db2.gz JGRILFMLTXNNBU-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cn1 ZINC000410419233 855988060 /nfs/dbraw/zinc/98/80/60/855988060.db2.gz PDYLLZHYHBROJB-UHFFFAOYSA-N -1 1 416.261 4.128 20 0 HIADMM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000426648584 856393343 /nfs/dbraw/zinc/39/33/43/856393343.db2.gz SUCFRIAGKSDSPC-GOSISDBHSA-N -1 1 416.271 4.200 20 0 HIADMM Cc1cc(Br)cc(CNCc2ccc(C(=O)[O-])cc2)c1OC(F)F ZINC000426687679 856413248 /nfs/dbraw/zinc/41/32/48/856413248.db2.gz LWUYBJHQZVTTOM-UHFFFAOYSA-N -1 1 400.219 4.347 20 0 HIADMM O=C([O-])[C@H](CNCc1csc(COc2ccccc2)n1)Cc1cccc(Cl)c1 ZINC000426702002 856420589 /nfs/dbraw/zinc/42/05/89/856420589.db2.gz COSALBQTZMNEJV-INIZCTEOSA-N -1 1 416.930 4.409 20 0 HIADMM O=C([O-])C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000426719408 856432106 /nfs/dbraw/zinc/43/21/06/856432106.db2.gz GHSLAFIESNGVDP-GOSISDBHSA-N -1 1 407.367 4.336 20 0 HIADMM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1cnc(-c2ccsc2)s1 ZINC000426738457 856444008 /nfs/dbraw/zinc/44/40/08/856444008.db2.gz WKRXKIWNPDWGNI-QGZVFWFLSA-N -1 1 404.582 4.390 20 0 HIADMM O=C([O-])C[C@H](NCc1ccc(Br)c(F)c1)c1cnn(-c2ccccc2)c1 ZINC000426756425 856459925 /nfs/dbraw/zinc/45/99/25/856459925.db2.gz JXORMXJETOFWMJ-SFHVURJKSA-N -1 1 418.266 4.080 20 0 HIADMM O=C([O-])[C@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccccc1F ZINC000426769246 856467686 /nfs/dbraw/zinc/46/76/86/856467686.db2.gz HFQICFHHFSTQIW-CQSZACIVSA-N -1 1 404.182 4.105 20 0 HIADMM COc1ccccc1[C@@H](NCc1cc(Br)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000426783438 856475791 /nfs/dbraw/zinc/47/57/91/856475791.db2.gz LGFNLJPKRZWCMZ-OAHLLOKOSA-N -1 1 418.209 4.392 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000426794290 856482438 /nfs/dbraw/zinc/48/24/38/856482438.db2.gz RCOAECFKNOPWRL-UHFFFAOYSA-N -1 1 412.465 4.088 20 0 HIADMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@H](NCc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000426806661 856489133 /nfs/dbraw/zinc/48/91/33/856489133.db2.gz KPQLRLQVNIBPNH-IBGZPJMESA-N -1 1 423.822 4.475 20 0 HIADMM O=C([O-])[C@@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1cccc(F)c1 ZINC000426810907 856491005 /nfs/dbraw/zinc/49/10/05/856491005.db2.gz JZJLMWCGROYZDI-SFHVURJKSA-N -1 1 407.367 4.005 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(Cl)c2)c1OC ZINC000426818140 856495071 /nfs/dbraw/zinc/49/50/71/856495071.db2.gz DITHSKZMWSENCA-AWEZNQCLSA-N -1 1 415.820 4.264 20 0 HIADMM COc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)cc(Br)c1OC(F)F ZINC000426830436 856503630 /nfs/dbraw/zinc/50/36/30/856503630.db2.gz YBHPEWKJOWYXTJ-GFCCVEGCSA-N -1 1 422.247 4.036 20 0 HIADMM COc1cc2c(c(CN[C@H](CC(=O)[O-])c3cccc(Br)c3)c1)O[C@H](C)C2 ZINC000426835653 856506448 /nfs/dbraw/zinc/50/64/48/856506448.db2.gz RLYFLZLBUAAXCN-KZULUSFZSA-N -1 1 420.303 4.087 20 0 HIADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000426893398 856529516 /nfs/dbraw/zinc/52/95/16/856529516.db2.gz GVRJQICZUGZXMZ-LLVKDONJSA-N -1 1 413.259 4.053 20 0 HIADMM Cc1cnc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000427041168 856608082 /nfs/dbraw/zinc/60/80/82/856608082.db2.gz PQCFVGYAXDLOAA-OAHLLOKOSA-N -1 1 415.540 4.052 20 0 HIADMM Cc1cnc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c([O-])c1 ZINC000427080715 856624873 /nfs/dbraw/zinc/62/48/73/856624873.db2.gz OMUBUJKNKLGLCU-OAHLLOKOSA-N -1 1 408.285 4.036 20 0 HIADMM CC(C)N(CC(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000427224076 856721282 /nfs/dbraw/zinc/72/12/82/856721282.db2.gz JHHRYDKXZLSLCN-UHFFFAOYSA-N -1 1 416.877 4.257 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(O[C@@H]4CCCC[C@H]4O)cc3)cc2s1 ZINC000427250004 856735626 /nfs/dbraw/zinc/73/56/26/856735626.db2.gz MYJARFJPORQTJR-RTBURBONSA-N -1 1 418.540 4.088 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)Nc3ccc(C)cc3SCCC(=O)[O-])cc2s1 ZINC000427287976 856752480 /nfs/dbraw/zinc/75/24/80/856752480.db2.gz IVJRVXWEJWXUOQ-UHFFFAOYSA-N -1 1 422.553 4.281 20 0 HIADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(OC(C)C)cc2)cc1F ZINC000427292049 856754696 /nfs/dbraw/zinc/75/46/96/856754696.db2.gz MGVHARKTGCADPT-UHFFFAOYSA-N -1 1 403.479 4.123 20 0 HIADMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000427329154 856774488 /nfs/dbraw/zinc/77/44/88/856774488.db2.gz GDCXOBDJBIMDRJ-UHFFFAOYSA-N -1 1 422.553 4.061 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H]4CCCC[C@@H]4C3)c2)cc1F ZINC000427360896 856794063 /nfs/dbraw/zinc/79/40/63/856794063.db2.gz CBGBMZJMDYHSRI-HDICACEKSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H]4CCCC[C@H]4C3)cc2)ccc1F ZINC000427361268 856794382 /nfs/dbraw/zinc/79/43/82/856794382.db2.gz DPUOFYQWIABQLG-ROUUACIJSA-N -1 1 416.518 4.197 20 0 HIADMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)o1 ZINC000437483268 862841979 /nfs/dbraw/zinc/84/19/79/862841979.db2.gz GERXYVUOTOYFJF-ZBFHGGJFSA-N -1 1 422.547 4.125 20 0 HIADMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)o1 ZINC000437483261 862842184 /nfs/dbraw/zinc/84/21/84/862842184.db2.gz GERXYVUOTOYFJF-GDBMZVCRSA-N -1 1 422.547 4.125 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc2cccnc21 ZINC000427653663 856898035 /nfs/dbraw/zinc/89/80/35/856898035.db2.gz JMISTIYZIJZBHX-UHFFFAOYSA-N -1 1 400.353 4.202 20 0 HIADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c1 ZINC000427656612 856898802 /nfs/dbraw/zinc/89/88/02/856898802.db2.gz XJHQHTFMAXJDLP-UHFFFAOYSA-N -1 1 414.458 4.174 20 0 HIADMM CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000427785482 856953016 /nfs/dbraw/zinc/95/30/16/856953016.db2.gz AYSLKFDYYGGAFQ-UHFFFAOYSA-N -1 1 417.072 4.329 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCS[C@@H](C)CC3)cc2)c1C ZINC000427913587 857004546 /nfs/dbraw/zinc/00/45/46/857004546.db2.gz JNGHLAVYQYRBBS-INIZCTEOSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnn([C@H](C)C4CC4)c3)cc2)cc1 ZINC000428212551 857112430 /nfs/dbraw/zinc/11/24/30/857112430.db2.gz YVZLZRIKEXSTCB-MRXNPFEDSA-N -1 1 424.526 4.216 20 0 HIADMM Cc1cc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)ccc1-c1ccccc1 ZINC000428570282 857268654 /nfs/dbraw/zinc/26/86/54/857268654.db2.gz HQQFHQRYVLRRLK-UHFFFAOYSA-N -1 1 414.509 4.276 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C2(C)CCCC2)cc1 ZINC000428658095 857291794 /nfs/dbraw/zinc/29/17/94/857291794.db2.gz CLZUOQQVUGKNTL-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)c(F)c1F ZINC000429103608 857510865 /nfs/dbraw/zinc/51/08/65/857510865.db2.gz LWCSXYPCVKLCAG-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000429227179 857564093 /nfs/dbraw/zinc/56/40/93/857564093.db2.gz NKHDCNRFWLWJMJ-UHFFFAOYSA-N -1 1 406.408 4.073 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)CCCCCC2)no1 ZINC000429821858 857897034 /nfs/dbraw/zinc/89/70/34/857897034.db2.gz AHIDYWCYWLUFIE-UHFFFAOYSA-N -1 1 404.319 4.213 20 0 HIADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429911413 857942706 /nfs/dbraw/zinc/94/27/06/857942706.db2.gz SQEAGQPLDMJACX-JTQLQIEISA-N -1 1 408.667 4.358 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ncc3n2CCCC3)c(C)c1F ZINC000430363033 858133763 /nfs/dbraw/zinc/13/37/63/858133763.db2.gz GIJGOONRLLVBEF-UHFFFAOYSA-N -1 1 415.490 4.143 20 0 HIADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000430452658 858172107 /nfs/dbraw/zinc/17/21/07/858172107.db2.gz XZXKXSMUUCVXDW-RDTXWAMCSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H]3CC[C@H](C)C3)cc2)ccc1F ZINC000430470719 858183901 /nfs/dbraw/zinc/18/39/01/858183901.db2.gz IHLGQELOGHIWBS-KSSFIOAISA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc2c(c1)CN(C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C2 ZINC000430538697 858211761 /nfs/dbraw/zinc/21/17/61/858211761.db2.gz KDITULXTUBONAQ-UHFFFAOYSA-N -1 1 421.522 4.021 20 0 HIADMM O=C(COCc1ccccc1)Nc1cc([O-])c(Br)cc1Br ZINC000431453534 858624702 /nfs/dbraw/zinc/62/47/02/858624702.db2.gz VMJHPQGGYAHXEU-UHFFFAOYSA-N -1 1 415.081 4.073 20 0 HIADMM COc1ccccc1CC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431458874 858626943 /nfs/dbraw/zinc/62/69/43/858626943.db2.gz MEEBCPGDJIDLCH-UHFFFAOYSA-N -1 1 415.081 4.107 20 0 HIADMM CCCOc1cccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000431632068 858701284 /nfs/dbraw/zinc/70/12/84/858701284.db2.gz VINROIGCAWFUPC-UHFFFAOYSA-N -1 1 424.522 4.457 20 0 HIADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431642618 858706689 /nfs/dbraw/zinc/70/66/89/858706689.db2.gz GCPCGKVKWJOANT-YVEFUNNKSA-N -1 1 419.877 4.038 20 0 HIADMM Cc1ccc(NC(=O)c2cc(O)ccc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000431720985 858761375 /nfs/dbraw/zinc/76/13/75/858761375.db2.gz BZMLLAGECVSOFT-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)c1nc(C2CC2)no1 ZINC000431826365 858829386 /nfs/dbraw/zinc/82/93/86/858829386.db2.gz WHOGYYKEZCFHRI-HNNXBMFYSA-N -1 1 411.936 4.491 20 0 HIADMM CC(C)(c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1)C(F)(F)F ZINC000432059349 858957301 /nfs/dbraw/zinc/95/73/01/858957301.db2.gz BCMMTKGEUICQIU-UHFFFAOYSA-N -1 1 405.369 4.165 20 0 HIADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000432203574 859044701 /nfs/dbraw/zinc/04/47/01/859044701.db2.gz VPGWMTYHIHZLBX-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000432348850 859114820 /nfs/dbraw/zinc/11/48/20/859114820.db2.gz SEZHXIGNAQZQKG-UHFFFAOYSA-N -1 1 400.685 4.088 20 0 HIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000432642466 859268497 /nfs/dbraw/zinc/26/84/97/859268497.db2.gz MHDOQNLMSROUBA-UHFFFAOYSA-N -1 1 418.332 4.167 20 0 HIADMM COC(=O)c1c[n-]c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)n1 ZINC000432669084 859282622 /nfs/dbraw/zinc/28/26/22/859282622.db2.gz KZYPZYMLTLWRAV-UHFFFAOYSA-N -1 1 422.919 4.012 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccnc(C)c4)no3)c2)cc1 ZINC000432681197 859289851 /nfs/dbraw/zinc/28/98/51/859289851.db2.gz YEWGMXKVPYZDCA-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(-c4cscn4)no3)cc2)c1 ZINC000432690597 859297492 /nfs/dbraw/zinc/29/74/92/859297492.db2.gz RRNHXKHLHGYYTC-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3ccccc3C(C)(C)C)c2)n1 ZINC000432908255 859423515 /nfs/dbraw/zinc/42/35/15/859423515.db2.gz ZZYALRLJMZBPFQ-UHFFFAOYSA-N -1 1 421.501 4.268 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1Cl ZINC000432959313 859449601 /nfs/dbraw/zinc/44/96/01/859449601.db2.gz HFHRFBKJNXXUCB-UHFFFAOYSA-N -1 1 401.822 4.272 20 0 HIADMM O=S(=O)([N-]c1ncccc1Br)c1ccc(Cl)cc1C(F)(F)F ZINC000433372126 859663333 /nfs/dbraw/zinc/66/33/33/859663333.db2.gz CQLGGMSAAYSPIZ-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1cc(Br)sc1Cl ZINC000433661837 859828447 /nfs/dbraw/zinc/82/84/47/859828447.db2.gz WMXBYXBJNPKSPA-MRVPVSSYSA-N -1 1 410.767 4.289 20 0 HIADMM Cc1ccc(NC(=O)CC[C@@H]2CCOC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000434230596 860215603 /nfs/dbraw/zinc/21/56/03/860215603.db2.gz XBDFBMQQUFRUSQ-OAHLLOKOSA-N -1 1 422.934 4.204 20 0 HIADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000434305581 860268375 /nfs/dbraw/zinc/26/83/75/860268375.db2.gz LSQCQHHXACWVIG-OAHLLOKOSA-N -1 1 424.563 4.230 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)s1 ZINC000434368230 860315638 /nfs/dbraw/zinc/31/56/38/860315638.db2.gz FTWVQDJVRVFFPW-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CC(C)c1ccc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000435005189 860593371 /nfs/dbraw/zinc/59/33/71/860593371.db2.gz XJZJBIPBQAFNMG-UHFFFAOYSA-N -1 1 423.538 4.278 20 0 HIADMM O=S(=O)([N-]CCCc1ccccn1)c1c(Cl)cc(Br)cc1Cl ZINC000435218556 860697428 /nfs/dbraw/zinc/69/74/28/860697428.db2.gz WAIUYVSHSVRDHH-UHFFFAOYSA-N -1 1 424.147 4.062 20 0 HIADMM Cc1csc(Sc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)c(C)c2)n1 ZINC000467756795 881570057 /nfs/dbraw/zinc/57/00/57/881570057.db2.gz WIWLFHYVVJNFMU-UHFFFAOYSA-N -1 1 424.525 4.312 20 0 HIADMM Cc1cc[nH]c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000435382463 860778679 /nfs/dbraw/zinc/77/86/79/860778679.db2.gz ABZWBNUSLKUSMK-UHFFFAOYSA-N -1 1 403.891 4.338 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCOC1)c1c(Cl)cc(F)cc1Cl ZINC000435440254 860799849 /nfs/dbraw/zinc/79/98/49/860799849.db2.gz UYNOYSZIFKGBJX-WBMJQRKESA-N -1 1 404.290 4.189 20 0 HIADMM COC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000435443389 860800766 /nfs/dbraw/zinc/80/07/66/860800766.db2.gz QGNFHCREXMCTSF-AWEZNQCLSA-N -1 1 414.232 4.077 20 0 HIADMM O=S(=O)([N-]Cc1cc(-c2ccccc2)no1)c1c(Cl)cc(F)cc1Cl ZINC000435447289 860801446 /nfs/dbraw/zinc/80/14/46/860801446.db2.gz OOWQYPHJBRWEDA-UHFFFAOYSA-N -1 1 401.246 4.266 20 0 HIADMM CC[C@H]1CC[C@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000437821421 863163256 /nfs/dbraw/zinc/16/32/56/863163256.db2.gz LSPNCECXIYILFR-IYARVYRRSA-N -1 1 400.544 4.320 20 0 HIADMM CC1=CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)C1 ZINC000438007603 863367841 /nfs/dbraw/zinc/36/78/41/863367841.db2.gz BLXVJWRTWOBALD-UHFFFAOYSA-N -1 1 424.444 4.298 20 0 HIADMM O=C(Cc1ccco1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438034327 863394409 /nfs/dbraw/zinc/39/44/09/863394409.db2.gz APKIQLBYEKFUJY-UHFFFAOYSA-N -1 1 408.838 4.054 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)o1 ZINC000438062976 863437015 /nfs/dbraw/zinc/43/70/15/863437015.db2.gz XZVLDKCMBGJZGX-UHFFFAOYSA-N -1 1 408.838 4.434 20 0 HIADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000438766291 864260933 /nfs/dbraw/zinc/26/09/33/864260933.db2.gz MAAKBKNCHJFXGD-UHFFFAOYSA-N -1 1 420.512 4.101 20 0 HIADMM CCOc1ccccc1Oc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cn1 ZINC000438770597 864266561 /nfs/dbraw/zinc/26/65/61/864266561.db2.gz KTXOGLFWSHMXPT-UHFFFAOYSA-N -1 1 400.381 4.186 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c1 ZINC000438783443 864276145 /nfs/dbraw/zinc/27/61/45/864276145.db2.gz CSTOULJAVKLGMY-UHFFFAOYSA-N -1 1 411.321 4.297 20 0 HIADMM COCCOc1cccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000438790132 864282522 /nfs/dbraw/zinc/28/25/22/864282522.db2.gz CHJUGQMDPIRXPW-UHFFFAOYSA-N -1 1 420.556 4.420 20 0 HIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccc(Br)c(F)c1 ZINC000438795504 864288430 /nfs/dbraw/zinc/28/84/30/864288430.db2.gz VPCZDBUUKZYDHH-UHFFFAOYSA-N -1 1 414.296 4.316 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)ccc1Cl ZINC000438803110 864294832 /nfs/dbraw/zinc/29/48/32/864294832.db2.gz DMFOUUJLNULBKE-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1OC ZINC000438809368 864300910 /nfs/dbraw/zinc/30/09/10/864300910.db2.gz ISALACBCLXYDEB-UHFFFAOYSA-N -1 1 406.529 4.412 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCC(=O)N4)cc2s1 ZINC000438812929 864304125 /nfs/dbraw/zinc/30/41/25/864304125.db2.gz VVRYKCGOLPALLT-UHFFFAOYSA-N -1 1 415.540 4.279 20 0 HIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1ccc(F)c(Br)c1 ZINC000438819305 864311703 /nfs/dbraw/zinc/31/17/03/864311703.db2.gz OGOGDYXLIGOFQU-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)O1 ZINC000438892908 864375479 /nfs/dbraw/zinc/37/54/79/864375479.db2.gz YOQNDDMPZUDPTN-BBRMVZONSA-N -1 1 424.469 4.052 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1ccc(Cl)c(Cl)c1 ZINC000438984737 864447325 /nfs/dbraw/zinc/44/73/25/864447325.db2.gz LRSGBFSVNZPWKC-UHFFFAOYSA-N -1 1 407.269 4.375 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000439657886 864985223 /nfs/dbraw/zinc/98/52/23/864985223.db2.gz HYHUFOBLTLARFP-HXUWFJFHSA-N -1 1 420.435 4.127 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000439801696 865119962 /nfs/dbraw/zinc/11/99/62/865119962.db2.gz QPHODXHOLIXPRK-GOEBONIOSA-N -1 1 404.507 4.196 20 0 HIADMM C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])Cc1cccs1 ZINC000439988252 865296398 /nfs/dbraw/zinc/29/63/98/865296398.db2.gz IPDSCUSTKWURRZ-IIBYNOLFSA-N -1 1 422.550 4.207 20 0 HIADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000440012403 865309757 /nfs/dbraw/zinc/30/97/57/865309757.db2.gz PYDKRBKDOBZBEV-YPAWHYETSA-N -1 1 406.526 4.235 20 0 HIADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000440125680 865371132 /nfs/dbraw/zinc/37/11/32/865371132.db2.gz ZVXJDDDPINZKEB-VGYLUTEMSA-N -1 1 406.526 4.235 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)CC[C@H]3C)c2)c1 ZINC000440415896 865712942 /nfs/dbraw/zinc/71/29/42/865712942.db2.gz NIWAPKAWURDUEB-SJLPKXTDSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000440931084 866027700 /nfs/dbraw/zinc/02/77/00/866027700.db2.gz IZJOIHADSJNKAV-UHFFFAOYSA-N -1 1 406.408 4.118 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)c1 ZINC000468165231 882038629 /nfs/dbraw/zinc/03/86/29/882038629.db2.gz SGQLRGSDRXIGGK-QGZVFWFLSA-N -1 1 415.559 4.306 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc(C2CC2)no1 ZINC000442424086 867394428 /nfs/dbraw/zinc/39/44/28/867394428.db2.gz ZCFOMUUUXAXNJN-UHFFFAOYSA-N -1 1 417.874 4.259 20 0 HIADMM COc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1OCC(F)(F)F ZINC000442861703 867702441 /nfs/dbraw/zinc/70/24/41/867702441.db2.gz USQQLQWOKAIKST-UHFFFAOYSA-N -1 1 405.756 4.256 20 0 HIADMM CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000442895568 867725727 /nfs/dbraw/zinc/72/57/27/867725727.db2.gz JIDYLMTZSDBNGF-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM COc1cc(C(=O)Nc2cc(Br)ccc2NC(C)=O)cc(Cl)c1[O-] ZINC000442954547 867761986 /nfs/dbraw/zinc/76/19/86/867761986.db2.gz SDLLZHZBDRCCBP-UHFFFAOYSA-N -1 1 413.655 4.027 20 0 HIADMM COc1cc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(Cl)c1[O-] ZINC000442952826 867762246 /nfs/dbraw/zinc/76/22/46/867762246.db2.gz MFAOBSLYGBFXSE-UHFFFAOYSA-N -1 1 422.824 4.107 20 0 HIADMM COc1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc(Cl)c1[O-] ZINC000442965963 867767866 /nfs/dbraw/zinc/76/78/66/867767866.db2.gz KQQOTOOOQVYAMO-UHFFFAOYSA-N -1 1 400.866 4.185 20 0 HIADMM O=c1[nH]c(Cc2cccc(Br)c2[O-])nc2cc(Cl)c(Cl)cc12 ZINC000443074364 867811788 /nfs/dbraw/zinc/81/17/88/867811788.db2.gz QRFACEPRKJWEDP-UHFFFAOYSA-N -1 1 400.059 4.289 20 0 HIADMM COc1ccc(-c2nc(Cc3noc(-c4cc(Cl)c([O-])c(OC)c4)n3)co2)cc1 ZINC000443084167 867814999 /nfs/dbraw/zinc/81/49/99/867814999.db2.gz FRMBUJNIHQOYBE-UHFFFAOYSA-N -1 1 413.817 4.359 20 0 HIADMM COc1cc(C(=O)Nc2cc(Br)c(C)cc2OC)cc(Cl)c1[O-] ZINC000443117685 867827257 /nfs/dbraw/zinc/82/72/57/867827257.db2.gz LHIHSOOPWCYHLT-UHFFFAOYSA-N -1 1 400.656 4.386 20 0 HIADMM COc1cc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)cc(Cl)c1[O-] ZINC000443141556 867838657 /nfs/dbraw/zinc/83/86/57/867838657.db2.gz ZRHBNBXINNEBRN-UHFFFAOYSA-N -1 1 409.667 4.228 20 0 HIADMM COc1cc(-c2nc(-c3cccc(NC(=O)NC(C)C)c3)no2)cc(Cl)c1[O-] ZINC000443220295 867880493 /nfs/dbraw/zinc/88/04/93/867880493.db2.gz VKUBWNPDEBDSQK-UHFFFAOYSA-N -1 1 402.838 4.301 20 0 HIADMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1 ZINC000443396865 867953576 /nfs/dbraw/zinc/95/35/76/867953576.db2.gz BWEMRAVDSIRQTR-UHFFFAOYSA-N -1 1 402.497 4.096 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)c1 ZINC000443401580 867964004 /nfs/dbraw/zinc/96/40/04/867964004.db2.gz CZPDRUVBTGPDJH-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)ccc1C ZINC000443407082 867988079 /nfs/dbraw/zinc/98/80/79/867988079.db2.gz OUCUMLMZUPMMLM-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)c1 ZINC000443411368 867993990 /nfs/dbraw/zinc/99/39/90/867993990.db2.gz DPHQTIHVGQDEDT-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)c(F)c1)c1ccc2ncccc2c1 ZINC000443412291 867994948 /nfs/dbraw/zinc/99/49/48/867994948.db2.gz ATKKWJFMDQLWCG-UHFFFAOYSA-N -1 1 400.353 4.116 20 0 HIADMM COC(=O)Cc1ccc(Oc2ccnc(-c3nc4sc(C)cc4c(=O)[n-]3)c2)cc1 ZINC000443422568 868006227 /nfs/dbraw/zinc/00/62/27/868006227.db2.gz LLHRYCYUKXRPKV-UHFFFAOYSA-N -1 1 407.451 4.275 20 0 HIADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cc1F ZINC000443471921 868059698 /nfs/dbraw/zinc/05/96/98/868059698.db2.gz ZTEIZBAMDMLARE-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000443518940 868078637 /nfs/dbraw/zinc/07/86/37/868078637.db2.gz HFCPRTNACLMZNB-CQSZACIVSA-N -1 1 408.483 4.242 20 0 HIADMM C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000443518934 868079024 /nfs/dbraw/zinc/07/90/24/868079024.db2.gz HFCPRTNACLMZNB-AWEZNQCLSA-N -1 1 408.483 4.242 20 0 HIADMM O=C(CCc1ccc(F)cc1F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000443568995 868124165 /nfs/dbraw/zinc/12/41/65/868124165.db2.gz JDEYCWVFKFQOQA-UHFFFAOYSA-N -1 1 416.449 4.337 20 0 HIADMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444220530 868673204 /nfs/dbraw/zinc/67/32/04/868673204.db2.gz XUXUQJPSGQVDKF-GFCCVEGCSA-N -1 1 416.343 4.282 20 0 HIADMM CC(C)(C)c1nc(CC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cs1 ZINC000444349878 868777957 /nfs/dbraw/zinc/77/79/57/868777957.db2.gz FLZOFNGXGYOEPL-UHFFFAOYSA-N -1 1 415.559 4.390 20 0 HIADMM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000444415082 868818618 /nfs/dbraw/zinc/81/86/18/868818618.db2.gz WXQHRZDOXWNQHG-DIFFPNOSSA-N -1 1 410.695 4.410 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(C)(F)F)c2)c1 ZINC000444432842 868826360 /nfs/dbraw/zinc/82/63/60/868826360.db2.gz ADHKDCYQCLFDKB-UHFFFAOYSA-N -1 1 401.369 4.305 20 0 HIADMM COc1cccc(C)c1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000444460615 868837084 /nfs/dbraw/zinc/83/70/84/868837084.db2.gz KXASLTDWRLQCAL-UHFFFAOYSA-N -1 1 412.392 4.492 20 0 HIADMM Cc1ccc(C(=O)N2CCSCC2)cc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000468346000 882282476 /nfs/dbraw/zinc/28/24/76/882282476.db2.gz AXCGIOVBJSNEBC-UHFFFAOYSA-N -1 1 418.584 4.108 20 0 HIADMM Cc1c(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cccc1C(=O)[O-] ZINC000468360209 882300213 /nfs/dbraw/zinc/30/02/13/882300213.db2.gz FGWYIEHEWBLKFC-UHFFFAOYSA-N -1 1 409.891 4.326 20 0 HIADMM COc1cc(-c2noc(C[C@@H]3CCO[C@H](C(C)C)C3)n2)cc(Br)c1[O-] ZINC000445388721 869474741 /nfs/dbraw/zinc/47/47/41/869474741.db2.gz DIMKNVFYOALTAC-RISCZKNCSA-N -1 1 411.296 4.207 20 0 HIADMM COc1cc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)cc(Br)c1[O-] ZINC000445391155 869477274 /nfs/dbraw/zinc/47/72/74/869477274.db2.gz JXUUPJZVVJXUMK-SNVBAGLBSA-N -1 1 424.276 4.188 20 0 HIADMM COc1cccc(/C=C\c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1 ZINC000445395273 869479806 /nfs/dbraw/zinc/47/98/06/869479806.db2.gz WPEMFRJCEUDNTA-SREVYHEPSA-N -1 1 403.232 4.392 20 0 HIADMM COc1cc(-c2noc(-c3cc(C)n([C@H](C)C4CC4)n3)n2)cc(Br)c1[O-] ZINC000445397916 869483145 /nfs/dbraw/zinc/48/31/45/869483145.db2.gz NOURBHKEERMQPU-SNVBAGLBSA-N -1 1 419.279 4.356 20 0 HIADMM CCOc1cc(-c2noc(-c3nc(CC)n(-c4ccccc4)n3)n2)cc(Cl)c1[O-] ZINC000445411371 869494432 /nfs/dbraw/zinc/49/44/32/869494432.db2.gz JCOQXFSQAIUDCZ-UHFFFAOYSA-N -1 1 411.849 4.304 20 0 HIADMM CCc1ccc(-c2csc(NC(=O)Cc3noc(-c4ccc([O-])cc4F)n3)n2)cc1 ZINC000445428787 869513459 /nfs/dbraw/zinc/51/34/59/869513459.db2.gz XISBWVXTESUPRX-UHFFFAOYSA-N -1 1 424.457 4.448 20 0 HIADMM CCOc1cc(-c2noc(CCc3nnc(C4CCCC4)o3)n2)cc(Cl)c1[O-] ZINC000445430432 869514529 /nfs/dbraw/zinc/51/45/29/869514529.db2.gz HOGWIZYABPRHCU-UHFFFAOYSA-N -1 1 404.854 4.320 20 0 HIADMM [O-]c1ccc(-c2noc(Cc3ccccc3I)n2)c(Cl)c1 ZINC000445444550 869526356 /nfs/dbraw/zinc/52/63/56/869526356.db2.gz GVBGFGVVQGIJLY-UHFFFAOYSA-N -1 1 412.614 4.291 20 0 HIADMM O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445443690 869526543 /nfs/dbraw/zinc/52/65/43/869526543.db2.gz DCGRBUNGQJGRCZ-CQSZACIVSA-N -1 1 408.266 4.405 20 0 HIADMM Cc1c(-c2nc(-c3ccc([O-])cc3F)no2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000445455023 869533517 /nfs/dbraw/zinc/53/35/17/869533517.db2.gz IRGHXDLQSWXFTR-UHFFFAOYSA-N -1 1 412.446 4.055 20 0 HIADMM COc1cc(CCc2nc(-c3ccc([O-])cc3F)no2)ccc1OCC(F)(F)F ZINC000445463888 869539180 /nfs/dbraw/zinc/53/91/80/869539180.db2.gz RPLMEZLERZZDJA-UHFFFAOYSA-N -1 1 412.339 4.316 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@@H]4CCCOC4)no3)cc2)cc1C ZINC000445511373 869574291 /nfs/dbraw/zinc/57/42/91/869574291.db2.gz DNICEQOAVIKQSX-QGZVFWFLSA-N -1 1 413.499 4.048 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(-c2nc(C3CCSCC3)no2)c1 ZINC000445546977 869605187 /nfs/dbraw/zinc/60/51/87/869605187.db2.gz GKAXGOZQRBEWDJ-UHFFFAOYSA-N -1 1 419.503 4.287 20 0 HIADMM Cc1ccc2oc(-c3noc(CCc4c(C)nc(-c5cccnc5)[n-]c4=O)n3)cc2c1 ZINC000445748563 869799275 /nfs/dbraw/zinc/79/92/75/869799275.db2.gz DEHAAPQADJTXFL-UHFFFAOYSA-N -1 1 413.437 4.442 20 0 HIADMM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000445763473 869807999 /nfs/dbraw/zinc/80/79/99/869807999.db2.gz DWSCJLVHSKZTGJ-KRWDZBQOSA-N -1 1 404.532 4.267 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccc(F)cc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000445843159 869855944 /nfs/dbraw/zinc/85/59/44/869855944.db2.gz OWDTXQHDHGFTDM-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](C(C)C)C3)c2)cc1 ZINC000446519031 870437675 /nfs/dbraw/zinc/43/76/75/870437675.db2.gz FEFUIVGEVDSUNL-SFHVURJKSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C)nc3C)c2)c1 ZINC000446709456 870625361 /nfs/dbraw/zinc/62/53/61/870625361.db2.gz ZNLHPQQHDIULFX-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)c1 ZINC000446949905 870858173 /nfs/dbraw/zinc/85/81/73/870858173.db2.gz XXYGLIRTAPSMTJ-UHFFFAOYSA-N -1 1 409.511 4.280 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N3CCCCC3)c2)c1 ZINC000447269930 871155346 /nfs/dbraw/zinc/15/53/46/871155346.db2.gz HBVWKEMFSFSKDO-UHFFFAOYSA-N -1 1 414.527 4.015 20 0 HIADMM COc1cccc([C@H](C)CCCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000447552041 871430965 /nfs/dbraw/zinc/43/09/65/871430965.db2.gz SIRYJBROZZQISJ-CQSZACIVSA-N -1 1 408.495 4.118 20 0 HIADMM CSC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)CCC1 ZINC000447634912 871545637 /nfs/dbraw/zinc/54/56/37/871545637.db2.gz WEKWRHIGVGJGKB-UHFFFAOYSA-N -1 1 418.584 4.120 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000447864963 871789205 /nfs/dbraw/zinc/78/92/05/871789205.db2.gz ILIRHIOSTJBUKE-UHFFFAOYSA-N -1 1 416.503 4.128 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000448044915 871876619 /nfs/dbraw/zinc/87/66/19/871876619.db2.gz YBSUHUPZHHYIBE-UHFFFAOYSA-N -1 1 414.527 4.096 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C(F)(F)F)c1 ZINC000448052805 871882844 /nfs/dbraw/zinc/88/28/44/871882844.db2.gz XBPLKYQKCWMABK-UHFFFAOYSA-N -1 1 423.416 4.285 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)c1 ZINC000448118863 871984491 /nfs/dbraw/zinc/98/44/91/871984491.db2.gz AWSYBKBTHGULDI-AREMUKBSSA-N -1 1 407.557 4.127 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(OCC3CCOCC3)c2)c1 ZINC000448126851 872000304 /nfs/dbraw/zinc/00/03/04/872000304.db2.gz DUBOCVCVPXDJOB-UHFFFAOYSA-N -1 1 417.527 4.194 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc(C)n3C)c2)c2ccccc12 ZINC000448132321 872005434 /nfs/dbraw/zinc/00/54/34/872005434.db2.gz KEDFVESLLYNVKY-UHFFFAOYSA-N -1 1 422.510 4.143 20 0 HIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC000468543044 882580698 /nfs/dbraw/zinc/58/06/98/882580698.db2.gz NEIKKHGBPQZRQL-INIZCTEOSA-N -1 1 412.515 4.007 20 0 HIADMM Cc1nc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c(C)s1 ZINC000468573229 882638337 /nfs/dbraw/zinc/63/83/37/882638337.db2.gz CTAMXZGKRMVJLO-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM COc1cc(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc(Cl)c1[O-] ZINC000460192296 872762414 /nfs/dbraw/zinc/76/24/14/872762414.db2.gz KECODSOYYYCOOQ-ZDUSSCGKSA-N -1 1 409.313 4.272 20 0 HIADMM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)cc1 ZINC000460582578 873318478 /nfs/dbraw/zinc/31/84/78/873318478.db2.gz CUUJSZLWZNFMAX-MRAWALMUSA-N -1 1 424.950 4.137 20 0 HIADMM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cc1OC ZINC000460754422 873593602 /nfs/dbraw/zinc/59/36/02/873593602.db2.gz PFEDLNQTCWJDNG-UHFFFAOYSA-N -1 1 417.936 4.295 20 0 HIADMM Cc1ccncc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000460815259 873696492 /nfs/dbraw/zinc/69/64/92/873696492.db2.gz IIIJITUOGNZGPF-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000460817708 873698441 /nfs/dbraw/zinc/69/84/41/873698441.db2.gz CHACDKYUTDLIBM-UHFFFAOYSA-N -1 1 423.600 4.498 20 0 HIADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000460822133 873704296 /nfs/dbraw/zinc/70/42/96/873704296.db2.gz DJRJKZCQTRDEBV-UHFFFAOYSA-N -1 1 417.437 4.469 20 0 HIADMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000460823493 873706259 /nfs/dbraw/zinc/70/62/59/873706259.db2.gz QVBWZRFFXMFZHK-UHFFFAOYSA-N -1 1 400.544 4.329 20 0 HIADMM O=S(=O)([N-]c1ccc(OC2CCCC2)c(F)c1)c1ccc2c(c1)OCCCO2 ZINC000460823533 873707057 /nfs/dbraw/zinc/70/70/57/873707057.db2.gz MDDCMZBIAZQUEY-UHFFFAOYSA-N -1 1 407.463 4.109 20 0 HIADMM Cc1ccnc(Oc2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)ccc2C)c1 ZINC000460832693 873720927 /nfs/dbraw/zinc/72/09/27/873720927.db2.gz OMAVGQZYQPZPCO-UHFFFAOYSA-N -1 1 404.469 4.051 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)c1 ZINC000460835692 873722834 /nfs/dbraw/zinc/72/28/34/873722834.db2.gz GOZYHLIAYZDGMW-UHFFFAOYSA-N -1 1 409.573 4.324 20 0 HIADMM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000460837045 873725430 /nfs/dbraw/zinc/72/54/30/873725430.db2.gz AHOVFTAFVWSNFJ-UHFFFAOYSA-N -1 1 406.573 4.139 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2=O)c1 ZINC000460837104 873725764 /nfs/dbraw/zinc/72/57/64/873725764.db2.gz BYAXROIYWANGHY-UHFFFAOYSA-N -1 1 400.544 4.297 20 0 HIADMM O=S(=O)(CCc1ccccc1Br)[N-]c1cc(Cl)c(Cl)cn1 ZINC000461112347 874035525 /nfs/dbraw/zinc/03/55/25/874035525.db2.gz MJUXGVNSIODESK-UHFFFAOYSA-N -1 1 410.120 4.135 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)c(=O)[n-]1 ZINC000461161889 874121273 /nfs/dbraw/zinc/12/12/73/874121273.db2.gz OCUOSMIQPMMVRU-SFHVURJKSA-N -1 1 413.587 4.360 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000461173440 874148248 /nfs/dbraw/zinc/14/82/48/874148248.db2.gz ZVAGPYLNWZWLGU-QGZVFWFLSA-N -1 1 418.559 4.038 20 0 HIADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc12 ZINC000461332165 874343621 /nfs/dbraw/zinc/34/36/21/874343621.db2.gz JQQHSKUFNFCUSW-UHFFFAOYSA-N -1 1 403.813 4.355 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000461341300 874350935 /nfs/dbraw/zinc/35/09/35/874350935.db2.gz UODSKTOALMBFKZ-YZGWKJHDSA-N -1 1 412.555 4.494 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000461479585 874537644 /nfs/dbraw/zinc/53/76/44/874537644.db2.gz CDHWXPOSNGTJEO-XOBRGWDASA-N -1 1 420.481 4.170 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCC[C@H]2CCC[C@H]21 ZINC000461479582 874537783 /nfs/dbraw/zinc/53/77/83/874537783.db2.gz CDHWXPOSNGTJEO-JLTOFOAXSA-N -1 1 420.481 4.170 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000461494145 874563922 /nfs/dbraw/zinc/56/39/22/874563922.db2.gz IVHAIRIZICMFOU-QRWLVFNGSA-N -1 1 402.491 4.031 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3Nc3ccccc3)cc3c2N1CCC3 ZINC000462353105 875466572 /nfs/dbraw/zinc/46/65/72/875466572.db2.gz BVQUCTXMAPTSGZ-UHFFFAOYSA-N -1 1 419.506 4.066 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cc(Cl)c3ccccc32)ccc1[O-] ZINC000462358955 875473248 /nfs/dbraw/zinc/47/32/48/875473248.db2.gz LUAGWVKQVBHRKN-UHFFFAOYSA-N -1 1 404.875 4.266 20 0 HIADMM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000462617177 875727757 /nfs/dbraw/zinc/72/77/57/875727757.db2.gz NDUVZNMAVHWGQG-NSHDSACASA-N -1 1 423.840 4.113 20 0 HIADMM CCCCOc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1OC ZINC000462786472 875839884 /nfs/dbraw/zinc/83/98/84/875839884.db2.gz XZYCHDIEIICARF-UHFFFAOYSA-N -1 1 408.502 4.661 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000463049124 876077541 /nfs/dbraw/zinc/07/75/41/876077541.db2.gz QDNYCAKGIIVVNQ-MWTRTKDXSA-N -1 1 416.525 4.315 20 0 HIADMM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1occc1Br ZINC000463165287 876220763 /nfs/dbraw/zinc/22/07/63/876220763.db2.gz PBGCEXSSCZIKAR-UHFFFAOYSA-N -1 1 402.035 4.386 20 0 HIADMM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463171225 876226827 /nfs/dbraw/zinc/22/68/27/876226827.db2.gz MSMLUOHWMMKOAQ-UHFFFAOYSA-N -1 1 415.240 4.389 20 0 HIADMM O=C(CC1CCC1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000463234088 876287716 /nfs/dbraw/zinc/28/77/16/876287716.db2.gz RSLWJLYSYBZHMG-UHFFFAOYSA-N -1 1 423.332 4.379 20 0 HIADMM Cc1cc(C)c(-c2csc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)n2)cc1C ZINC000468956918 883023617 /nfs/dbraw/zinc/02/36/17/883023617.db2.gz KBNFKFXXHOVMAF-UHFFFAOYSA-N -1 1 421.482 4.045 20 0 HIADMM Cc1cc(C)c(-c2csc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)n2)cc1C ZINC000468956918 883023636 /nfs/dbraw/zinc/02/36/36/883023636.db2.gz KBNFKFXXHOVMAF-UHFFFAOYSA-N -1 1 421.482 4.045 20 0 HIADMM CCOc1c(F)cccc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000463374099 876429820 /nfs/dbraw/zinc/42/98/20/876429820.db2.gz FXNLQCNUCHXUBH-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000463528664 876603708 /nfs/dbraw/zinc/60/37/08/876603708.db2.gz VABHALIBTRKYQU-UHFFFAOYSA-N -1 1 415.964 4.416 20 0 HIADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000463916348 877036866 /nfs/dbraw/zinc/03/68/66/877036866.db2.gz SAMYAZDTMWDMEK-JKSUJKDBSA-N -1 1 404.532 4.051 20 0 HIADMM C[C@H]1CC[C@H](CC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000469034064 883104418 /nfs/dbraw/zinc/10/44/18/883104418.db2.gz SYTCVTCUBBGCGR-ROUUACIJSA-N -1 1 400.544 4.272 20 0 HIADMM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC000464045560 877186333 /nfs/dbraw/zinc/18/63/33/877186333.db2.gz IJJMBILOWNZBLF-ZWKOTPCHSA-N -1 1 418.559 4.073 20 0 HIADMM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC000464045559 877187049 /nfs/dbraw/zinc/18/70/49/877187049.db2.gz IJJMBILOWNZBLF-ROUUACIJSA-N -1 1 418.559 4.073 20 0 HIADMM CCc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)s1 ZINC000464091313 877245045 /nfs/dbraw/zinc/24/50/45/877245045.db2.gz JXCPSRXBIOJBQV-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM C[C@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000464259092 877439265 /nfs/dbraw/zinc/43/92/65/877439265.db2.gz ASRFNXGBYKNKOP-LLVKDONJSA-N -1 1 420.840 4.212 20 0 HIADMM C[C@@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000464259093 877439719 /nfs/dbraw/zinc/43/97/19/877439719.db2.gz ASRFNXGBYKNKOP-NSHDSACASA-N -1 1 420.840 4.212 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)CC(F)(F)F)cc2)c1C ZINC000464261026 877441711 /nfs/dbraw/zinc/44/17/11/877441711.db2.gz AEGTYPMFGMWBNT-CYBMUJFWSA-N -1 1 414.449 4.175 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000464513414 877736632 /nfs/dbraw/zinc/73/66/32/877736632.db2.gz ADMVQSIRWMRETJ-HTAPYJJXSA-N -1 1 406.507 4.321 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@@H]1c1ccccc1 ZINC000464558830 877776427 /nfs/dbraw/zinc/77/64/27/877776427.db2.gz HLVBRMOANQPKJS-VGSWGCGISA-N -1 1 406.507 4.321 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000464582542 877805956 /nfs/dbraw/zinc/80/59/56/877805956.db2.gz OAUQPVZNCKEKDA-OAQYLSRUSA-N -1 1 422.497 4.418 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(O)c3C)cc2)cc1 ZINC000503308434 912289361 /nfs/dbraw/zinc/28/93/61/912289361.db2.gz GTPPFXTYPAEWIB-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000464696221 877911620 /nfs/dbraw/zinc/91/16/20/877911620.db2.gz MCMOUTBWNCEWQB-MRXNPFEDSA-N -1 1 406.573 4.057 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000464709733 877932277 /nfs/dbraw/zinc/93/22/77/877932277.db2.gz MGSVIDQALQHNSR-OAHLLOKOSA-N -1 1 424.563 4.196 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000464710104 877934000 /nfs/dbraw/zinc/93/40/00/877934000.db2.gz LIOIDJNZAFPVQE-UHFFFAOYSA-N -1 1 418.419 4.056 20 0 HIADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000464832271 878091515 /nfs/dbraw/zinc/09/15/15/878091515.db2.gz DFVNWQZHIZYIDV-UHFFFAOYSA-N -1 1 401.406 4.159 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1CCC(F)(F)F ZINC000465150722 878530860 /nfs/dbraw/zinc/53/08/60/878530860.db2.gz XXASYWPJXCXEDM-UHFFFAOYSA-N -1 1 416.403 4.229 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000465287058 878724540 /nfs/dbraw/zinc/72/45/40/878724540.db2.gz RDGYZAQKYWMBHX-OXJNMPFZSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000465291597 878729643 /nfs/dbraw/zinc/72/96/43/878729643.db2.gz ORPYFOXHCMSYNL-CZUORRHYSA-N -1 1 408.470 4.026 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000465293994 878733549 /nfs/dbraw/zinc/73/35/49/878733549.db2.gz DZSMGSFNOQNGAP-RDTXWAMCSA-N -1 1 406.935 4.401 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)C[C@@H]3CC)c2)cc1 ZINC000465295439 878736899 /nfs/dbraw/zinc/73/68/99/878736899.db2.gz NEEYZEXPRWXTEB-LPHOPBHVSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1nc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)s1 ZINC000465387337 878827469 /nfs/dbraw/zinc/82/74/69/878827469.db2.gz HBRKAGXUTXWHPG-UHFFFAOYSA-N -1 1 419.503 4.261 20 0 HIADMM CC(C)C[C@H]1CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000465837268 879474163 /nfs/dbraw/zinc/47/41/63/879474163.db2.gz ODKALFZCZHFSMF-GOSISDBHSA-N -1 1 415.559 4.065 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)cc1OC ZINC000466291238 880036708 /nfs/dbraw/zinc/03/67/08/880036708.db2.gz VFMVWXAZOWQNCH-UHFFFAOYSA-N -1 1 424.478 4.237 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc4nc(C)sc4c3)cc2F)c1 ZINC000466346147 880103394 /nfs/dbraw/zinc/10/33/94/880103394.db2.gz JEZXOJLWRMJBPB-UHFFFAOYSA-N -1 1 402.476 4.039 20 0 HIADMM Cc1ccc(-c2nc([C@H]3CCOC3)no2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000466458848 880238641 /nfs/dbraw/zinc/23/86/41/880238641.db2.gz RFMLHMDFAONKLX-AWEZNQCLSA-N -1 1 419.890 4.003 20 0 HIADMM O=C(N[C@@H]1CCCc2sccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000466506424 880282039 /nfs/dbraw/zinc/28/20/39/880282039.db2.gz SUBGQWMEIZPADH-LJQANCHMSA-N -1 1 412.536 4.356 20 0 HIADMM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000466956706 880739581 /nfs/dbraw/zinc/73/95/81/880739581.db2.gz AOQAFFAWWFYJSQ-MRXNPFEDSA-N -1 1 423.506 4.077 20 0 HIADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000466973150 880777287 /nfs/dbraw/zinc/77/72/87/880777287.db2.gz LNRUDFNKSAGZGV-JKSUJKDBSA-N -1 1 423.506 4.219 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CC3)ccc2C)cc1 ZINC000467077260 880851954 /nfs/dbraw/zinc/85/19/54/880851954.db2.gz AHONHDOJAZWJFB-UHFFFAOYSA-N -1 1 400.544 4.376 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000467077324 880852244 /nfs/dbraw/zinc/85/22/44/880852244.db2.gz BFZANCZMRYWIKG-UHFFFAOYSA-N -1 1 417.449 4.368 20 0 HIADMM Cn1c2ccccc2nc1-c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000467083717 880853999 /nfs/dbraw/zinc/85/39/99/880853999.db2.gz VPDAHWFGOPDCTJ-UHFFFAOYSA-N -1 1 417.412 4.458 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000467095332 880859505 /nfs/dbraw/zinc/85/95/05/880859505.db2.gz XKLACKZHQHNPIR-UHFFFAOYSA-N -1 1 402.560 4.242 20 0 HIADMM Cc1oc2ccccc2c1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000467121287 880876666 /nfs/dbraw/zinc/87/66/66/880876666.db2.gz WIMURORKFFABLG-UHFFFAOYSA-N -1 1 420.490 4.472 20 0 HIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)NCCc2ccc(F)cc2)nc1-c1ccccc1 ZINC000467202996 880932788 /nfs/dbraw/zinc/93/27/88/880932788.db2.gz VMRRCNMQTRMFRM-OAHLLOKOSA-N -1 1 411.502 4.136 20 0 HIADMM Cc1cccc(C)c1-n1nnnc1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467208192 880937739 /nfs/dbraw/zinc/93/77/39/880937739.db2.gz RDUAKCJAMWHAPD-UHFFFAOYSA-N -1 1 404.499 4.042 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000467210221 880939302 /nfs/dbraw/zinc/93/93/02/880939302.db2.gz CMHJZDHXZSUHMX-AWEZNQCLSA-N -1 1 422.510 4.235 20 0 HIADMM CCC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000467274077 881016852 /nfs/dbraw/zinc/01/68/52/881016852.db2.gz DNONCEKFBCWBEX-GOSISDBHSA-N -1 1 400.544 4.448 20 0 HIADMM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cc(Br)cc2cccnc21 ZINC000467286471 881033583 /nfs/dbraw/zinc/03/35/83/881033583.db2.gz VPAIAKDOFPQETQ-UHFFFAOYSA-N -1 1 415.316 4.340 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)c(C(F)(F)F)c1 ZINC000467410934 881197349 /nfs/dbraw/zinc/19/73/49/881197349.db2.gz AADDAONFMYAEEL-UHFFFAOYSA-N -1 1 414.449 4.286 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)cs1 ZINC000467429329 881222235 /nfs/dbraw/zinc/22/22/35/881222235.db2.gz WPXWFSILGQZFQB-AWEZNQCLSA-N -1 1 408.545 4.023 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CNc3ccccc3)cc2)cc1 ZINC000467506075 881319576 /nfs/dbraw/zinc/31/95/76/881319576.db2.gz YTFZBGOALCRARN-SFHVURJKSA-N -1 1 423.538 4.026 20 0 HIADMM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000469141900 883239020 /nfs/dbraw/zinc/23/90/20/883239020.db2.gz ZLIUXEXUPOOACD-CQSZACIVSA-N -1 1 404.495 4.188 20 0 HIADMM COc1ccc2[nH]c(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)cc2c1 ZINC000469171670 883270810 /nfs/dbraw/zinc/27/08/10/883270810.db2.gz PGSONEOERYAJIL-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2c(O)cccc21 ZINC000469202982 883302604 /nfs/dbraw/zinc/30/26/04/883302604.db2.gz LUVRGJWFLVGRKT-INIZCTEOSA-N -1 1 422.506 4.347 20 0 HIADMM C[C@H]1CCC[C@@H]1CC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000469508356 883763648 /nfs/dbraw/zinc/76/36/48/883763648.db2.gz KDLIMEFYSLVFOB-PKOBYXMFSA-N -1 1 400.544 4.272 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c[nH]c2ncccc12 ZINC000503841562 912837538 /nfs/dbraw/zinc/83/75/38/912837538.db2.gz BFSLBTCTGWNQGN-CYBMUJFWSA-N -1 1 423.338 4.164 20 0 HIADMM Cc1nc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)nn1-c1ccc(F)cc1 ZINC000470370223 884764623 /nfs/dbraw/zinc/76/46/23/884764623.db2.gz WDDZBTTUNWABJI-UHFFFAOYSA-N -1 1 420.429 4.232 20 0 HIADMM COc1cccc(-c2nc(CSc3nc(C4CC4)cc(=O)[n-]3)cs2)c1OC ZINC000470457612 884852773 /nfs/dbraw/zinc/85/27/73/884852773.db2.gz GRWFVSBEQSDWRN-UHFFFAOYSA-N -1 1 401.513 4.493 20 0 HIADMM Cc1cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)nn1-c1ccccc1Cl ZINC000503947096 912878160 /nfs/dbraw/zinc/87/81/60/912878160.db2.gz QPYMWGIMMSRZIN-UHFFFAOYSA-N -1 1 405.845 4.041 20 0 HIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cc2nccnc2cc1F ZINC000470626168 885051627 /nfs/dbraw/zinc/05/16/27/885051627.db2.gz OMFULWZACDHIAH-UHFFFAOYSA-N -1 1 403.801 4.332 20 0 HIADMM Cn1cc(-c2ncc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4F)s3)s2)cn1 ZINC000470636741 885062025 /nfs/dbraw/zinc/06/20/25/885062025.db2.gz XGJYYGJQGPVNIH-UHFFFAOYSA-N -1 1 420.882 4.107 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470711598 885150334 /nfs/dbraw/zinc/15/03/34/885150334.db2.gz NAHOOMQUEDUQHG-ZDUSSCGKSA-N -1 1 424.328 4.388 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C(C)(C)C1 ZINC000470851464 885349900 /nfs/dbraw/zinc/34/99/00/885349900.db2.gz MVGVTBSSYLSSQZ-ZDUSSCGKSA-N -1 1 408.470 4.026 20 0 HIADMM CCC1(CC)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000504027547 912932010 /nfs/dbraw/zinc/93/20/10/912932010.db2.gz UHVROHHKQXOIPI-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM CCO[C@H](CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000471231454 885805212 /nfs/dbraw/zinc/80/52/12/885805212.db2.gz HXAXQYBMLOTGFT-LJQANCHMSA-N -1 1 408.495 4.016 20 0 HIADMM Cc1ccc(C(=O)N([C@H](C)C2CC2)C2CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471233316 885808233 /nfs/dbraw/zinc/80/82/33/885808233.db2.gz IRLYKVUUCBQQBH-OAHLLOKOSA-N -1 1 416.518 4.338 20 0 HIADMM C[C@@H](COc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000471235317 885809872 /nfs/dbraw/zinc/80/98/72/885809872.db2.gz SBFCALOQAMNFQO-KRWDZBQOSA-N -1 1 410.495 4.141 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)ccc1F ZINC000471619086 886335088 /nfs/dbraw/zinc/33/50/88/886335088.db2.gz DNWBGILXEJPBAW-UHFFFAOYSA-N -1 1 403.460 4.011 20 0 HIADMM COc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000471625924 886342896 /nfs/dbraw/zinc/34/28/96/886342896.db2.gz MENZAMWFNNTIFZ-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(CC)(CC)C3)cc2)cc1 ZINC000504165342 913054495 /nfs/dbraw/zinc/05/44/95/913054495.db2.gz NNDCCBQAWHUVSG-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(Nc2cnn(C)c2)c1 ZINC000471990023 886816658 /nfs/dbraw/zinc/81/66/58/886816658.db2.gz CPYYBPYSYKIXAX-UHFFFAOYSA-N -1 1 421.320 4.035 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCCC2(CC2)C1 ZINC000472744356 887589062 /nfs/dbraw/zinc/58/90/62/887589062.db2.gz CGRYEROOOSQZRB-UHFFFAOYSA-N -1 1 422.909 4.296 20 0 HIADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cn1 ZINC000473194238 887974029 /nfs/dbraw/zinc/97/40/29/887974029.db2.gz SJKNAJPDWCAGTL-CQSZACIVSA-N -1 1 415.902 4.027 20 0 HIADMM COc1c(F)cc(F)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000473264716 888025319 /nfs/dbraw/zinc/02/53/19/888025319.db2.gz SOGAKCBJEFQUKF-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000473315080 888059537 /nfs/dbraw/zinc/05/95/37/888059537.db2.gz LQWDOZCCQYJCRG-HNNXBMFYSA-N -1 1 408.267 4.115 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCCC2(CCC2)C1 ZINC000473322859 888064097 /nfs/dbraw/zinc/06/40/97/888064097.db2.gz DXDKCZUJZJFGSG-UHFFFAOYSA-N -1 1 402.491 4.033 20 0 HIADMM CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000473468309 888192013 /nfs/dbraw/zinc/19/20/13/888192013.db2.gz JMXGBVHCBNMHBN-GOSISDBHSA-N -1 1 412.939 4.091 20 0 HIADMM COc1csc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000473642032 888386066 /nfs/dbraw/zinc/38/60/66/888386066.db2.gz LIEWYFODGCNLPH-UHFFFAOYSA-N -1 1 402.497 4.118 20 0 HIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccccc1Br ZINC000473794499 888611167 /nfs/dbraw/zinc/61/11/67/888611167.db2.gz LHIIOFWWWKKEIR-ZETCQYMHSA-N -1 1 407.211 4.327 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC3(CCC3)C2)c1 ZINC000473803428 888624577 /nfs/dbraw/zinc/62/45/77/888624577.db2.gz HFDXFESXRKBYJR-UHFFFAOYSA-N -1 1 416.518 4.341 20 0 HIADMM O=S(=O)([N-]C1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000473859506 888711272 /nfs/dbraw/zinc/71/12/72/888711272.db2.gz BHKWKNHUUFCWJO-UHFFFAOYSA-N -1 1 422.280 4.256 20 0 HIADMM O=S(=O)([N-]Cc1ncoc1-c1ccccc1)c1ccc(Cl)c(F)c1Cl ZINC000473860706 888714232 /nfs/dbraw/zinc/71/42/32/888714232.db2.gz GZTJHKFISBJBFH-UHFFFAOYSA-N -1 1 401.246 4.266 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3cccc(O)c3)cc2)cc1 ZINC000473913681 888793632 /nfs/dbraw/zinc/79/36/32/888793632.db2.gz SCQCYDYPNPJYPD-QGZVFWFLSA-N -1 1 424.522 4.335 20 0 HIADMM O=C([O-])CCOc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000504507368 913296685 /nfs/dbraw/zinc/29/66/85/913296685.db2.gz IESSYPCEQRNLDI-UHFFFAOYSA-N -1 1 423.796 4.013 20 0 HIADMM O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000504507836 913299101 /nfs/dbraw/zinc/29/91/01/913299101.db2.gz NYJBUBPJTRJDLJ-UHFFFAOYSA-N -1 1 423.796 4.013 20 0 HIADMM CN(C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000474301861 889165801 /nfs/dbraw/zinc/16/58/01/889165801.db2.gz GBUVTXGJGIETDX-SFHVURJKSA-N -1 1 415.559 4.208 20 0 HIADMM COc1cc(NC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)ccc1[N-]S(C)(=O)=O ZINC000474489288 889349419 /nfs/dbraw/zinc/34/94/19/889349419.db2.gz ZRBULDDBNLDWNT-HNNXBMFYSA-N -1 1 419.547 4.084 20 0 HIADMM COc1cc([C@H](C)NC(=O)c2c(C)[n-]c(=O)nc2SC)ccc1OCCC(C)C ZINC000474510485 889374388 /nfs/dbraw/zinc/37/43/88/889374388.db2.gz BISCHEASTMKARE-ZDUSSCGKSA-N -1 1 419.547 4.137 20 0 HIADMM CCCCOc1ccc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1OC ZINC000474521318 889390878 /nfs/dbraw/zinc/39/08/78/889390878.db2.gz MXDPYQQAEZIKIV-AWEZNQCLSA-N -1 1 415.534 4.467 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000474545704 889422574 /nfs/dbraw/zinc/42/25/74/889422574.db2.gz HQDSCVJZXFFLIB-UHFFFAOYSA-N -1 1 424.545 4.445 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000474590029 889460202 /nfs/dbraw/zinc/46/02/02/889460202.db2.gz PXEXWSUSKDPDOZ-LBPRGKRZSA-N -1 1 414.556 4.444 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000474621630 889486312 /nfs/dbraw/zinc/48/63/12/889486312.db2.gz XYUJLMFJBSDXMS-QGZVFWFLSA-N -1 1 407.495 4.133 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000474638846 889500874 /nfs/dbraw/zinc/50/08/74/889500874.db2.gz GFQHZICSNKCKCM-UHFFFAOYSA-N -1 1 408.502 4.148 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000474799090 889651866 /nfs/dbraw/zinc/65/18/66/889651866.db2.gz BIXHSIVYZPOOGE-PMERELPUSA-N -1 1 423.538 4.348 20 0 HIADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474882494 889738676 /nfs/dbraw/zinc/73/86/76/889738676.db2.gz SDYVZBXZYHNCJQ-APWZRJJASA-N -1 1 402.516 4.021 20 0 HIADMM CO[C@H]1CCC[C@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000474895739 889753077 /nfs/dbraw/zinc/75/30/77/889753077.db2.gz IHGNLFPMTVFDSU-LPHOPBHVSA-N -1 1 402.516 4.021 20 0 HIADMM Cc1ccc(NC(=O)COC2CCC(C)CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000474895761 889753185 /nfs/dbraw/zinc/75/31/85/889753185.db2.gz IMVJLPHQGNNJHM-UHFFFAOYSA-N -1 1 416.543 4.330 20 0 HIADMM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000474896632 889755181 /nfs/dbraw/zinc/75/51/81/889755181.db2.gz LLNOVINVLBJSOU-HKUYNNGSSA-N -1 1 416.543 4.330 20 0 HIADMM CCC[C@@H](CC)NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475102004 889949033 /nfs/dbraw/zinc/94/90/33/889949033.db2.gz QQZZGWNYAPEHRG-QGZVFWFLSA-N -1 1 407.511 4.004 20 0 HIADMM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000475528948 890454428 /nfs/dbraw/zinc/45/44/28/890454428.db2.gz HCMQKZHDVYCZKZ-UHFFFAOYSA-N -1 1 409.833 4.057 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1coc2ccccc12 ZINC000475719966 890658743 /nfs/dbraw/zinc/65/87/43/890658743.db2.gz BPTNMJHDTKIRHL-UHFFFAOYSA-N -1 1 424.453 4.303 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c(Br)c1 ZINC000475796422 890734019 /nfs/dbraw/zinc/73/40/19/890734019.db2.gz JSSGWICKCVWNBR-UHFFFAOYSA-N -1 1 424.320 4.189 20 0 HIADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c1 ZINC000475824220 890757757 /nfs/dbraw/zinc/75/77/57/890757757.db2.gz HZNARUVURGLFHW-UHFFFAOYSA-N -1 1 410.495 4.261 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCc2ccc(Cl)cc21 ZINC000476156112 891080708 /nfs/dbraw/zinc/08/07/08/891080708.db2.gz NOBQPIKWVPIYFH-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000476375757 891290449 /nfs/dbraw/zinc/29/04/49/891290449.db2.gz DJKCBTZBBCAGHA-KNQAVFIVSA-N -1 1 416.525 4.013 20 0 HIADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1Cl ZINC000476385429 891299829 /nfs/dbraw/zinc/29/98/29/891299829.db2.gz JEJMLGBRNVYSPA-UHFFFAOYSA-N -1 1 413.204 4.170 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2CN(C)C(=O)c2cccs2)c1 ZINC000476388888 891305252 /nfs/dbraw/zinc/30/52/52/891305252.db2.gz FCGARHABMJCNPR-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000476396597 891313968 /nfs/dbraw/zinc/31/39/68/891313968.db2.gz MPUABEUTTTYLSD-UHFFFAOYSA-N -1 1 404.289 4.015 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000476402066 891319091 /nfs/dbraw/zinc/31/90/91/891319091.db2.gz CZEZOQCPYWZXTN-UHFFFAOYSA-N -1 1 409.376 4.352 20 0 HIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000476596231 891529744 /nfs/dbraw/zinc/52/97/44/891529744.db2.gz LPAYGASEOHVIHH-SFHVURJKSA-N -1 1 408.483 4.072 20 0 HIADMM COc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc(Cl)c1[O-] ZINC000476843371 891817447 /nfs/dbraw/zinc/81/74/47/891817447.db2.gz BBATUIZZVCUKOD-GFCCVEGCSA-N -1 1 415.704 4.370 20 0 HIADMM O=c1nc(CN2CCC[C@]3(CCCOC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000477073179 892006543 /nfs/dbraw/zinc/00/65/43/892006543.db2.gz XIVYHRGCTRKYBA-QFIPXVFZSA-N -1 1 413.518 4.183 20 0 HIADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000477610076 892698768 /nfs/dbraw/zinc/69/87/68/892698768.db2.gz LHTNDVJCXVFWQG-KGLIPLIRSA-N -1 1 408.907 4.077 20 0 HIADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000477610079 892699323 /nfs/dbraw/zinc/69/93/23/892699323.db2.gz LHTNDVJCXVFWQG-ZIAGYGMSSA-N -1 1 408.907 4.077 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccncc4)no3)cc2)ccc1F ZINC000504987288 913732835 /nfs/dbraw/zinc/73/28/35/913732835.db2.gz WGARSLXJOSGBNV-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM C[C@@H]1CCCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000478040149 893175295 /nfs/dbraw/zinc/17/52/95/893175295.db2.gz KGULZOURWYRLFI-CQSZACIVSA-N -1 1 408.470 4.028 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000478340962 893581734 /nfs/dbraw/zinc/58/17/34/893581734.db2.gz NWIUUKBWDZUOLH-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1ccc(NC(=O)CCOCc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000478365867 893626401 /nfs/dbraw/zinc/62/64/01/893626401.db2.gz CVZDGYXCLPXLJV-UHFFFAOYSA-N -1 1 424.522 4.341 20 0 HIADMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)sn1 ZINC000478544327 893841975 /nfs/dbraw/zinc/84/19/75/893841975.db2.gz XBJZYFCTRAUXDW-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM C[C@H](CN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nn[n-]n1 ZINC000478583040 893859727 /nfs/dbraw/zinc/85/97/27/893859727.db2.gz RVOJMEWABPFDNA-LLVKDONJSA-N -1 1 406.273 4.175 20 0 HIADMM Cc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(Sc2ccc(Cl)cc2)c1 ZINC000478583703 893860557 /nfs/dbraw/zinc/86/05/57/893860557.db2.gz SQPQOHKQYVNGSQ-CYBMUJFWSA-N -1 1 401.923 4.188 20 0 HIADMM C[C@@H](CN(C)C(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1)c1nn[n-]n1 ZINC000478603084 893869049 /nfs/dbraw/zinc/86/90/49/893869049.db2.gz PTDFRYDPDHCMJY-NSHDSACASA-N -1 1 406.273 4.175 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)c2ccccc12 ZINC000478680662 893933801 /nfs/dbraw/zinc/93/38/01/893933801.db2.gz GRWGQFBZNOYIRB-UHFFFAOYSA-N -1 1 413.499 4.051 20 0 HIADMM Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000478701810 893963009 /nfs/dbraw/zinc/96/30/09/893963009.db2.gz PUMYDCYXTPGXNC-UHFFFAOYSA-N -1 1 400.262 4.334 20 0 HIADMM CCc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)s1 ZINC000478819488 894092538 /nfs/dbraw/zinc/09/25/38/894092538.db2.gz BNOHRPNBJCFTFB-UHFFFAOYSA-N -1 1 418.515 4.180 20 0 HIADMM Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505135692 913836993 /nfs/dbraw/zinc/83/69/93/913836993.db2.gz VALURORCLMWRJU-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(c1cccc(C(F)(F)F)c1)C(C)C ZINC000479083336 894348880 /nfs/dbraw/zinc/34/88/80/894348880.db2.gz FEKJBIFVARUVCF-UHFFFAOYSA-N -1 1 406.408 4.055 20 0 HIADMM CCOc1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc(Cl)c1[O-] ZINC000479274468 894547958 /nfs/dbraw/zinc/54/79/58/894547958.db2.gz GFAAHFUYKQVDLY-KRWDZBQOSA-N -1 1 414.260 4.451 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H]1CCC(F)(F)C1 ZINC000479348218 894643148 /nfs/dbraw/zinc/64/31/48/894643148.db2.gz JFKPXVVENVTGID-LLVKDONJSA-N -1 1 416.396 4.140 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](C)C(F)(F)F)cc2)cc1C ZINC000479390985 894694203 /nfs/dbraw/zinc/69/42/03/894694203.db2.gz ANIRARSDUYLVIT-CQSZACIVSA-N -1 1 414.449 4.032 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@H]3CC)cc2)cc1 ZINC000479406620 894712969 /nfs/dbraw/zinc/71/29/69/894712969.db2.gz JHRNXNFHISKOHX-HRAATJIYSA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000479412306 894719219 /nfs/dbraw/zinc/71/92/19/894719219.db2.gz OYVZQXMTQDCKRL-JLTOFOAXSA-N -1 1 404.507 4.196 20 0 HIADMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)cc1 ZINC000479440548 894757044 /nfs/dbraw/zinc/75/70/44/894757044.db2.gz QLWUWLYSZKAHJG-UHFFFAOYSA-N -1 1 420.506 4.040 20 0 HIADMM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(F)c1 ZINC000479464141 894788221 /nfs/dbraw/zinc/78/82/21/894788221.db2.gz BVHPCUIFTAXLDZ-UHFFFAOYSA-N -1 1 417.405 4.183 20 0 HIADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000479498589 894815839 /nfs/dbraw/zinc/81/58/39/894815839.db2.gz DJUNXCXODJECLE-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(F)c1)c1ccc2ncsc2c1 ZINC000479512686 894826296 /nfs/dbraw/zinc/82/62/96/894826296.db2.gz IIFCSHKQPZUXQV-UHFFFAOYSA-N -1 1 415.471 4.210 20 0 HIADMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)cc1Cl ZINC000479526414 894835322 /nfs/dbraw/zinc/83/53/22/894835322.db2.gz GWWCOWWBSILYBY-UHFFFAOYSA-N -1 1 400.287 4.080 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3cc(C(F)(F)F)cn3)c2)c1 ZINC000479567639 894862681 /nfs/dbraw/zinc/86/26/81/894862681.db2.gz GLYXOTPMQJVGFY-UHFFFAOYSA-N -1 1 423.416 4.285 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)ccc1F ZINC000479569717 894864050 /nfs/dbraw/zinc/86/40/50/894864050.db2.gz SVCILDAWDYJMOB-UHFFFAOYSA-N -1 1 410.776 4.257 20 0 HIADMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000479763976 895064741 /nfs/dbraw/zinc/06/47/41/895064741.db2.gz QQERRIVXYXEQTH-UHFFFAOYSA-N -1 1 407.789 4.372 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(C(C)(C)C)c1O ZINC000480061858 895409608 /nfs/dbraw/zinc/40/96/08/895409608.db2.gz QEFYROZRWUPVSU-UHFFFAOYSA-N -1 1 406.486 4.127 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1ccc(Br)cc1 ZINC000505318641 913979631 /nfs/dbraw/zinc/97/96/31/913979631.db2.gz VBECYHVBBQHSBM-UHFFFAOYSA-N -1 1 405.273 4.437 20 0 HIADMM CSc1cc2c(cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)OCCO2 ZINC000480242528 895650561 /nfs/dbraw/zinc/65/05/61/895650561.db2.gz RYOIUEYGDUMCNB-UHFFFAOYSA-N -1 1 419.446 4.085 20 0 HIADMM CC(C)[C@@H]1N(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1(C)C ZINC000480316421 895720143 /nfs/dbraw/zinc/72/01/43/895720143.db2.gz FSDASLXWAZDWOE-NRFANRHFSA-N -1 1 418.534 4.062 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(C)[C@@H]3C(C)C)c2)cc1 ZINC000480322895 895724896 /nfs/dbraw/zinc/72/48/96/895724896.db2.gz ZBOZCVDSIGLJNJ-FQEVSTJZSA-N -1 1 416.543 4.003 20 0 HIADMM Cc1ccc(NC(=O)c2cc(Cl)cn2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000480541447 895903991 /nfs/dbraw/zinc/90/39/91/895903991.db2.gz OTEFUDXCNZTBEB-UHFFFAOYSA-N -1 1 403.891 4.040 20 0 HIADMM CCNc1cc(C)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000480814780 896186390 /nfs/dbraw/zinc/18/63/90/896186390.db2.gz STXOWZNGEXXNHS-UHFFFAOYSA-N -1 1 409.511 4.480 20 0 HIADMM CCNc1cc(C)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000480815716 896188379 /nfs/dbraw/zinc/18/83/79/896188379.db2.gz ZSBKOIUYPOUGSJ-UHFFFAOYSA-N -1 1 409.511 4.480 20 0 HIADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2c(C)onc2-c2cccc(Cl)c2)s1 ZINC000481084989 896405502 /nfs/dbraw/zinc/40/55/02/896405502.db2.gz ALMNGGRJYJGHCC-UHFFFAOYSA-N -1 1 400.851 4.106 20 0 HIADMM CC[C@H](CN(CC)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000481245961 896596958 /nfs/dbraw/zinc/59/69/58/896596958.db2.gz LYEGRWQCILODBG-MRXNPFEDSA-N -1 1 419.547 4.114 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1ccccc1Br)c1nc(C)cs1 ZINC000505452011 914119218 /nfs/dbraw/zinc/11/92/18/914119218.db2.gz VWLJWYYVMUWROY-CQSZACIVSA-N -1 1 414.346 4.222 20 0 HIADMM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1cc([C@@H]2CCCOC2)n[nH]1 ZINC000481853829 897219725 /nfs/dbraw/zinc/21/97/25/897219725.db2.gz AYIFOCUTSHKBGM-LLVKDONJSA-N -1 1 411.936 4.281 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c3ncccc23)c1 ZINC000481857533 897224559 /nfs/dbraw/zinc/22/45/59/897224559.db2.gz ROLCFGKYCHTTKN-UHFFFAOYSA-N -1 1 409.511 4.229 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c3ncccc23)cc1F ZINC000481862553 897230959 /nfs/dbraw/zinc/23/09/59/897230959.db2.gz QKWLVCSQKWXYMX-UHFFFAOYSA-N -1 1 415.490 4.174 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)nc1)c1ccccc1 ZINC000481867714 897237182 /nfs/dbraw/zinc/23/71/82/897237182.db2.gz BGPOZBYAMVFVCH-UHFFFAOYSA-N -1 1 419.865 4.068 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1OCC ZINC000481896609 897275037 /nfs/dbraw/zinc/27/50/37/897275037.db2.gz JPFMQFOTYHMTHO-UHFFFAOYSA-N -1 1 405.303 4.295 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1OCC(F)(F)F ZINC000482128962 897586303 /nfs/dbraw/zinc/58/63/03/897586303.db2.gz IGHHNMVKTADIRY-UHFFFAOYSA-N -1 1 409.813 4.399 20 0 HIADMM CC[C@H](CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000482273579 897762281 /nfs/dbraw/zinc/76/22/81/897762281.db2.gz YPBFMXXPGVIEAA-MRXNPFEDSA-N -1 1 406.548 4.012 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000482548891 898138595 /nfs/dbraw/zinc/13/85/95/898138595.db2.gz HOFDFKLXFILDCI-UHFFFAOYSA-N -1 1 408.267 4.289 20 0 HIADMM Cc1nc(CN2CCC(C(=O)Nc3cc(C)cc(Br)c3[O-])CC2)cs1 ZINC000482629338 898231605 /nfs/dbraw/zinc/23/16/05/898231605.db2.gz IDTCJNDQKLWQGD-UHFFFAOYSA-N -1 1 424.364 4.079 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1 ZINC000482635993 898240915 /nfs/dbraw/zinc/24/09/15/898240915.db2.gz SUKOWPFZIHQHCF-AWEZNQCLSA-N -1 1 423.332 4.158 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2csc(Nc3ccccn3)n2)c1 ZINC000482669374 898270910 /nfs/dbraw/zinc/27/09/10/898270910.db2.gz DGAJRZOMWMLVBQ-UHFFFAOYSA-N -1 1 405.277 4.311 20 0 HIADMM COc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1Br ZINC000482671302 898272562 /nfs/dbraw/zinc/27/25/62/898272562.db2.gz IQYXUQYDZFPBQU-UHFFFAOYSA-N -1 1 415.081 4.487 20 0 HIADMM CN(Cc1ccc(F)cc1Br)C(=O)c1ccc(Br)c([O-])c1 ZINC000482786549 898395074 /nfs/dbraw/zinc/39/50/74/898395074.db2.gz GMBCOTFLFZLIOM-UHFFFAOYSA-N -1 1 417.072 4.329 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCSCC[C@H]3C)ccc2C)cc1 ZINC000482951899 898579412 /nfs/dbraw/zinc/57/94/12/898579412.db2.gz ZJQIKMFHBZATSF-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000483039233 898707810 /nfs/dbraw/zinc/70/78/10/898707810.db2.gz IPLSILXZRYDEPF-CQSZACIVSA-N -1 1 417.494 4.397 20 0 HIADMM COc1ccccc1-c1csc(C2CCN(C(=O)c3ncc(C)cc3[O-])CC2)n1 ZINC000483052946 898725159 /nfs/dbraw/zinc/72/51/59/898725159.db2.gz DHZLZOMWDLBTOK-UHFFFAOYSA-N -1 1 409.511 4.248 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cc(Cl)ccn2)c1 ZINC000483199770 898854793 /nfs/dbraw/zinc/85/47/93/898854793.db2.gz NHLGDFYJNFJQHW-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC2(c3cccc(Cl)c3)CCCC2)c(=O)[n-]1 ZINC000483286152 898921543 /nfs/dbraw/zinc/92/15/43/898921543.db2.gz MPHBGWJFUWDIFK-UHFFFAOYSA-N -1 1 405.951 4.384 20 0 HIADMM COCc1ccsc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000483858394 899541031 /nfs/dbraw/zinc/54/10/31/899541031.db2.gz QNAZRJVHALAMBO-UHFFFAOYSA-N -1 1 420.487 4.087 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3Nc3c(F)cccc3F)ccc2N1 ZINC000484080170 899715007 /nfs/dbraw/zinc/71/50/07/899715007.db2.gz QNSSFVMEIIYZOD-UHFFFAOYSA-N -1 1 415.421 4.004 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3Nc3c(F)cccc3F)cc2o1 ZINC000484084108 899718773 /nfs/dbraw/zinc/71/87/73/899718773.db2.gz WDKYQOQAVKOUIW-UHFFFAOYSA-N -1 1 417.393 4.356 20 0 HIADMM COc1cccc(-c2nsc(NC([O-])=C[C@@H](c3ccccc3)C(F)(F)F)n2)c1 ZINC000484335481 899887567 /nfs/dbraw/zinc/88/75/67/899887567.db2.gz PLLFNRRQJWNRRS-HNNXBMFYSA-N -1 1 407.417 4.310 20 0 HIADMM COC(=O)c1c[n-]c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)n1 ZINC000484571983 900040351 /nfs/dbraw/zinc/04/03/51/900040351.db2.gz GMCRHFZBMSXZEV-UHFFFAOYSA-N -1 1 416.528 4.247 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(COCCc2ccccc2)c1 ZINC000484594725 900057035 /nfs/dbraw/zinc/05/70/35/900057035.db2.gz XKAJANORIXRPQP-UHFFFAOYSA-N -1 1 411.523 4.393 20 0 HIADMM Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000484650618 900095125 /nfs/dbraw/zinc/09/51/25/900095125.db2.gz GHBHIPNFSNAZTE-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1ccccc1[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000484769312 900183200 /nfs/dbraw/zinc/18/32/00/900183200.db2.gz FEZIIUVQCLKFHH-JOCHJYFZSA-N -1 1 404.514 4.307 20 0 HIADMM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(Br)c([O-])c3)nc2c1 ZINC000484774531 900185755 /nfs/dbraw/zinc/18/57/55/900185755.db2.gz GMEHLGOXZNDZTJ-MRXNPFEDSA-N -1 1 400.276 4.317 20 0 HIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(Br)c([O-])c3)[nH]c2c1 ZINC000484774531 900185760 /nfs/dbraw/zinc/18/57/60/900185760.db2.gz GMEHLGOXZNDZTJ-MRXNPFEDSA-N -1 1 400.276 4.317 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000484938540 900309434 /nfs/dbraw/zinc/30/94/34/900309434.db2.gz OQITYDJALITVDF-UHFFFAOYSA-N -1 1 422.488 4.351 20 0 HIADMM Cc1ccc(NC(=O)c2cscn2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000485104338 900412652 /nfs/dbraw/zinc/41/26/52/900412652.db2.gz NCPOSDXOPCZHHD-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000485106384 900414748 /nfs/dbraw/zinc/41/47/48/900414748.db2.gz RXCUXBVTPSYQEW-UHFFFAOYSA-N -1 1 401.509 4.047 20 0 HIADMM CC(C)NC(=O)Nc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1 ZINC000485115562 900421314 /nfs/dbraw/zinc/42/13/14/900421314.db2.gz YDAUGMRMBMPQQV-UHFFFAOYSA-N -1 1 404.430 4.000 20 0 HIADMM COC(=O)c1c(F)ccc([N-]C(=O)c2c(F)cc(Br)cc2F)c1F ZINC000485174910 900471881 /nfs/dbraw/zinc/47/18/81/900471881.db2.gz JKHWDVXKPBHUBN-UHFFFAOYSA-N -1 1 406.129 4.044 20 0 HIADMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000485228672 900514846 /nfs/dbraw/zinc/51/48/46/900514846.db2.gz HBZAYTMRTFCYSB-UHFFFAOYSA-N -1 1 409.382 4.065 20 0 HIADMM COc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)cc1C(=O)[O-] ZINC000485272597 900552701 /nfs/dbraw/zinc/55/27/01/900552701.db2.gz NBXVVTUFKLLPOS-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM CC(C)(C)C[C@@H](O)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000485409382 900708021 /nfs/dbraw/zinc/70/80/21/900708021.db2.gz FORNNCVDIVFWLM-KRWDZBQOSA-N -1 1 424.950 4.267 20 0 HIADMM CCc1c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)ccn1C ZINC000485421556 900720190 /nfs/dbraw/zinc/72/01/90/900720190.db2.gz LGHKTKJFVRNRDV-UHFFFAOYSA-N -1 1 417.918 4.294 20 0 HIADMM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000485549192 900824695 /nfs/dbraw/zinc/82/46/95/900824695.db2.gz KCJLLHIGVYSSNS-KRWDZBQOSA-N -1 1 406.548 4.182 20 0 HIADMM Cc1ccc2nc(CNC(=O)c3ccccc3SCc3occc3C(=O)[O-])[nH]c2c1 ZINC000485735287 900989060 /nfs/dbraw/zinc/98/90/60/900989060.db2.gz SARSBVFZGUWUQQ-UHFFFAOYSA-N -1 1 421.478 4.385 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCCCCC(=O)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000485828197 901075015 /nfs/dbraw/zinc/07/50/15/901075015.db2.gz HIXWNNQCFGQREP-QGZVFWFLSA-N -1 1 414.527 4.274 20 0 HIADMM O=S(=O)([N-]C[C@H](c1ccccc1)C(F)(F)F)c1ccc(Br)s1 ZINC000485937285 901159488 /nfs/dbraw/zinc/15/94/88/901159488.db2.gz CGRBVOBVXQCNAV-SNVBAGLBSA-N -1 1 414.268 4.135 20 0 HIADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)c1 ZINC000486538182 901689167 /nfs/dbraw/zinc/68/91/67/901689167.db2.gz VLYRVYWDRUWIGN-UHFFFAOYSA-N -1 1 413.495 4.221 20 0 HIADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486619043 901754871 /nfs/dbraw/zinc/75/48/71/901754871.db2.gz GHCGAXVAKNOGPB-NSHDSACASA-N -1 1 401.260 4.242 20 0 HIADMM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1ccc(Br)cc1C(F)(F)F ZINC000486685711 901795880 /nfs/dbraw/zinc/79/58/80/901795880.db2.gz VQXWTYFMVGNJQY-VIFPVBQESA-N -1 1 422.213 4.324 20 0 HIADMM Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1S(=O)(=O)NC(C)(C)C ZINC000486924345 901967053 /nfs/dbraw/zinc/96/70/53/901967053.db2.gz JSWPJTZZFQPFID-UHFFFAOYSA-N -1 1 411.911 4.075 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(C)c3)c2)cc1 ZINC000487941308 902471574 /nfs/dbraw/zinc/47/15/74/902471574.db2.gz FDPZMDORTCDZHL-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCCO4)c2)cc1 ZINC000505972988 914635142 /nfs/dbraw/zinc/63/51/42/914635142.db2.gz CWKDUDYHFJUYQT-UHFFFAOYSA-N -1 1 422.506 4.373 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000488271285 902739217 /nfs/dbraw/zinc/73/92/17/902739217.db2.gz KDWAJDLKFRRXNS-UHFFFAOYSA-N -1 1 415.536 4.024 20 0 HIADMM O=S(=O)([N-]c1ncccc1Br)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488442223 902827763 /nfs/dbraw/zinc/82/77/63/902827763.db2.gz FCSCWNQJDDJCSR-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccc(F)cc2O)c1 ZINC000488517548 902866232 /nfs/dbraw/zinc/86/62/32/902866232.db2.gz CWQTUCYRRMNNEL-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM CCC(C)(C)OCc1cccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1C ZINC000488792298 903003139 /nfs/dbraw/zinc/00/31/39/903003139.db2.gz AAOJRFHJWHEOOR-UHFFFAOYSA-N -1 1 410.518 4.247 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCCC(F)(F)C3)c2)c1 ZINC000488967581 903098870 /nfs/dbraw/zinc/09/88/70/903098870.db2.gz BSITYJAKZILGQQ-GOSISDBHSA-N -1 1 422.497 4.412 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc1F ZINC000489746914 903574884 /nfs/dbraw/zinc/57/48/84/903574884.db2.gz PDXDQJPPKVSMQU-UHFFFAOYSA-N -1 1 422.821 4.165 20 0 HIADMM CSc1cc(O)ccc1[N-]C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000490240405 903847935 /nfs/dbraw/zinc/84/79/35/903847935.db2.gz FKCXVCMAEBPUJH-UHFFFAOYSA-N -1 1 412.368 4.105 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H]1OCCc2sccc21 ZINC000490511336 904061867 /nfs/dbraw/zinc/06/18/67/904061867.db2.gz CWGAYBRRWRNFCX-VXJOIVPMSA-N -1 1 410.319 4.175 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1cccc(F)c1 ZINC000490699813 904179483 /nfs/dbraw/zinc/17/94/83/904179483.db2.gz WKDNUMOSLMUMCP-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000491074019 904413022 /nfs/dbraw/zinc/41/30/22/904413022.db2.gz HAZFOQSSEASSFC-LPHOPBHVSA-N -1 1 404.304 4.361 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNc2ncnc3ccccc32)cc1 ZINC000506137024 914818922 /nfs/dbraw/zinc/81/89/22/914818922.db2.gz DJLCVTQGBLXQFU-UHFFFAOYSA-N -1 1 408.458 4.182 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1cccc(Cl)c1Br ZINC000491549998 904646175 /nfs/dbraw/zinc/64/61/75/904646175.db2.gz WVSFTPUYJRUFLA-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4)nc3c2)ccc1F ZINC000491583384 904661973 /nfs/dbraw/zinc/66/19/73/904661973.db2.gz IZDLHTAGVGPERR-UHFFFAOYSA-N -1 1 424.457 4.128 20 0 HIADMM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nc4cccnc4c(=O)[n-]3)cc2)cc1 ZINC000491599687 904669516 /nfs/dbraw/zinc/66/95/16/904669516.db2.gz UIZHHBDQWWSVOQ-UHFFFAOYSA-N -1 1 414.465 4.091 20 0 HIADMM Cn1c(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)nc2cc(Cl)ccc21 ZINC000492335516 904836929 /nfs/dbraw/zinc/83/69/29/904836929.db2.gz SMVGVWONQDDYFQ-UHFFFAOYSA-N -1 1 410.735 4.074 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCCN1c1ccccc1 ZINC000493212100 905054965 /nfs/dbraw/zinc/05/49/65/905054965.db2.gz WRTDXDBCGISFSQ-QFIPXVFZSA-N -1 1 421.522 4.095 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)s1 ZINC000512410297 921142527 /nfs/dbraw/zinc/14/25/27/921142527.db2.gz IEZBNUSPFFHJLY-LBPRGKRZSA-N -1 1 401.378 4.240 20 0 HIADMM CCC[C@@H](C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccn1 ZINC000494120281 905464859 /nfs/dbraw/zinc/46/48/59/905464859.db2.gz PNQCZUQCIQKTIF-HXUWFJFHSA-N -1 1 423.538 4.083 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC=C2 ZINC000494126112 905468825 /nfs/dbraw/zinc/46/88/25/905468825.db2.gz HLPQYTAUHONAIL-UHFFFAOYSA-N -1 1 418.518 4.377 20 0 HIADMM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000494604393 905859018 /nfs/dbraw/zinc/85/90/18/905859018.db2.gz XUXONXHLFUIWKW-UHFFFAOYSA-N -1 1 422.812 4.040 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1ccc(F)c2ncccc12 ZINC000512569266 921242254 /nfs/dbraw/zinc/24/22/54/921242254.db2.gz QPOWTUFTTVGEBJ-UHFFFAOYSA-N -1 1 400.431 4.216 20 0 HIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000497226936 906822458 /nfs/dbraw/zinc/82/24/58/906822458.db2.gz HOGXBKIJXYBNRL-UHFFFAOYSA-N -1 1 418.559 4.216 20 0 HIADMM C/C=C\c1ccc(NC(=O)NCc2cccc(-c3nc(C(=O)OCC)n[n-]3)c2)cc1 ZINC000497371275 906859718 /nfs/dbraw/zinc/85/97/18/906859718.db2.gz PILKOJCUXBLHSJ-UTCJRWHESA-N -1 1 405.458 4.003 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(OC(C)(C)C)cc3)c3cccc(c23)C1=O ZINC000512730752 921298367 /nfs/dbraw/zinc/29/83/67/921298367.db2.gz UGHRRTLWRHXLAK-UHFFFAOYSA-N -1 1 410.495 4.408 20 0 HIADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)c1 ZINC000512781144 921310405 /nfs/dbraw/zinc/31/04/05/921310405.db2.gz MQXISEPMEGQCFL-UHFFFAOYSA-N -1 1 405.369 4.128 20 0 HIADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000497848878 907329141 /nfs/dbraw/zinc/32/91/41/907329141.db2.gz ZXOJZJGKPYNFHD-UHFFFAOYSA-N -1 1 416.247 4.372 20 0 HIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000497982399 907459946 /nfs/dbraw/zinc/45/99/46/907459946.db2.gz KXVNDNJVRHALIU-UHFFFAOYSA-N -1 1 414.493 4.371 20 0 HIADMM C[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1 ZINC000512827533 921331083 /nfs/dbraw/zinc/33/10/83/921331083.db2.gz KGXVABYHENXCQU-INIZCTEOSA-N -1 1 412.486 4.160 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C4CC4)n3)c2)c1 ZINC000498078433 907587737 /nfs/dbraw/zinc/58/77/37/907587737.db2.gz WAUGYGXECBGXSN-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498203474 907736388 /nfs/dbraw/zinc/73/63/88/907736388.db2.gz QUSDCERIPUGAMP-FQEVSTJZSA-N -1 1 416.543 4.472 20 0 HIADMM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498203475 907736945 /nfs/dbraw/zinc/73/69/45/907736945.db2.gz QUSDCERIPUGAMP-HXUWFJFHSA-N -1 1 416.543 4.472 20 0 HIADMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000498401903 907882969 /nfs/dbraw/zinc/88/29/69/907882969.db2.gz BFPQEUWHJBJBLH-UHFFFAOYSA-N -1 1 416.543 4.067 20 0 HIADMM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c(C)c1 ZINC000498435974 907901643 /nfs/dbraw/zinc/90/16/43/907901643.db2.gz YSIGKFCKXIYJQF-OAHLLOKOSA-N -1 1 406.573 4.388 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc(C)c3)c2)cc1 ZINC000498488637 907960041 /nfs/dbraw/zinc/96/00/41/907960041.db2.gz LPOJRIUZXJONLB-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM COc1cc(Br)cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000498500717 907973619 /nfs/dbraw/zinc/97/36/19/907973619.db2.gz XRJTWUWVENHLJG-UHFFFAOYSA-N -1 1 412.305 4.097 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1Br ZINC000499281853 908660425 /nfs/dbraw/zinc/66/04/25/908660425.db2.gz QZISKIMTFZLHDE-UHFFFAOYSA-N -1 1 423.288 4.304 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)[C@@H](C)c2ccco2)c1 ZINC000499412601 908779584 /nfs/dbraw/zinc/77/95/84/908779584.db2.gz DQVXHLHHRHRPPO-HNNXBMFYSA-N -1 1 416.474 4.361 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)c3ccco3)cc2)ccc1F ZINC000499553478 908837840 /nfs/dbraw/zinc/83/78/40/908837840.db2.gz AGGRJHGXFSYYCO-HNNXBMFYSA-N -1 1 416.474 4.361 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1cc(Br)sc1Cl ZINC000499704773 908883054 /nfs/dbraw/zinc/88/30/54/908883054.db2.gz ANKYPRIEVPOLRL-SSDOTTSWSA-N -1 1 408.717 4.268 20 0 HIADMM CCSCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000500067076 909535393 /nfs/dbraw/zinc/53/53/93/909535393.db2.gz QSXYXMYGVSQAJN-UHFFFAOYSA-N -1 1 412.964 4.014 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000500356812 909810282 /nfs/dbraw/zinc/81/02/82/909810282.db2.gz BRXWDYYHDBLDRB-UHFFFAOYSA-N -1 1 400.422 4.472 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1C(F)(F)F ZINC000500366188 909814975 /nfs/dbraw/zinc/81/49/75/909814975.db2.gz XFYGBJHDKXWZDB-UHFFFAOYSA-N -1 1 415.437 4.345 20 0 HIADMM CN(C)c1nc2sc(C(=O)[N-]c3nnc(Cc4cccc(F)c4)s3)cc2s1 ZINC000500927980 910189266 /nfs/dbraw/zinc/18/92/66/910189266.db2.gz MYZCQEMTKVJXBC-UHFFFAOYSA-N -1 1 419.532 4.258 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(CC(C)C)C1CC1 ZINC000513117825 921562704 /nfs/dbraw/zinc/56/27/04/921562704.db2.gz GIDRTEMNGGJKKC-UHFFFAOYSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(CC(C)C)C3CC3)c2)c1 ZINC000513119201 921564368 /nfs/dbraw/zinc/56/43/68/921564368.db2.gz VSUVKWIREGDFGM-UHFFFAOYSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](C)[C@H](C)C2)cc1 ZINC000501618769 910719330 /nfs/dbraw/zinc/71/93/30/910719330.db2.gz USHYUQIVIHBDTJ-GOEBONIOSA-N -1 1 404.507 4.053 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](C)[C@H](C)C2)c1 ZINC000501630588 910727986 /nfs/dbraw/zinc/72/79/86/910727986.db2.gz PJSUNSOJYQBLRB-MAUKXSAKSA-N -1 1 400.544 4.222 20 0 HIADMM C[C@@]1(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H]1c1ccccc1 ZINC000501694776 910764854 /nfs/dbraw/zinc/76/48/54/910764854.db2.gz ZQOMZXYGZWMSFO-UPVQGACJSA-N -1 1 420.534 4.411 20 0 HIADMM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc(Br)c([O-])c2)no1 ZINC000501838908 910879577 /nfs/dbraw/zinc/87/95/77/910879577.db2.gz GQAIPGGKEGTPJT-AWEZNQCLSA-N -1 1 408.296 4.419 20 0 HIADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000502054487 911004660 /nfs/dbraw/zinc/00/46/60/911004660.db2.gz JKVRJSAAPNTSTD-OAHLLOKOSA-N -1 1 408.470 4.043 20 0 HIADMM CCOC(=O)c1c(C)oc2ncnc([N-]c3nc4c(s3)COc3ccccc3-4)c21 ZINC000502687164 911727609 /nfs/dbraw/zinc/72/76/09/911727609.db2.gz YFHRUBJAEDWWFW-UHFFFAOYSA-N -1 1 408.439 4.467 20 0 HIADMM CCC[C@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000502927927 911914173 /nfs/dbraw/zinc/91/41/73/911914173.db2.gz FTISAFINLGUCLW-APWZRJJASA-N -1 1 402.516 4.021 20 0 HIADMM C[C@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@@H]1n1ccnc1 ZINC000503074739 912042650 /nfs/dbraw/zinc/04/26/50/912042650.db2.gz RFYUMYJGKHTHPT-KSSFIOAISA-N -1 1 423.517 4.070 20 0 HIADMM CCCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000503163445 912134684 /nfs/dbraw/zinc/13/46/84/912134684.db2.gz BXSBZMOEHINMJR-HNNXBMFYSA-N -1 1 420.531 4.269 20 0 HIADMM CCOc1cc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc(Cl)c1[O-] ZINC000506598500 915248714 /nfs/dbraw/zinc/24/87/14/915248714.db2.gz VAVXFMGNZWYUEJ-HXUWFJFHSA-N -1 1 410.297 4.229 20 0 HIADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1Cl ZINC000506677634 915355406 /nfs/dbraw/zinc/35/54/06/915355406.db2.gz WFMXJKOWYYEBCX-UHFFFAOYSA-N -1 1 400.887 4.167 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000506792715 915523692 /nfs/dbraw/zinc/52/36/92/915523692.db2.gz DKSBNESFKAUOJO-UHFFFAOYSA-N -1 1 413.524 4.053 20 0 HIADMM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1nc2ccccc2c(=O)[n-]1 ZINC000507567603 916321944 /nfs/dbraw/zinc/32/19/44/916321944.db2.gz QPJHVOPWOLKLNI-CZUORRHYSA-N -1 1 401.388 4.008 20 0 HIADMM Cc1c(Br)ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1F ZINC000507906317 916777898 /nfs/dbraw/zinc/77/78/98/916777898.db2.gz AXDRJVGMLQYJFT-UHFFFAOYSA-N -1 1 405.289 4.124 20 0 HIADMM CCS(=O)(=O)c1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000507951193 916812812 /nfs/dbraw/zinc/81/28/12/916812812.db2.gz ODHZLLPATLTNJO-UHFFFAOYSA-N -1 1 423.537 4.135 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1C(N)=O ZINC000507984974 916829333 /nfs/dbraw/zinc/82/93/33/916829333.db2.gz HULBALSTRUSIAZ-UHFFFAOYSA-N -1 1 410.495 4.041 20 0 HIADMM O=S(=O)([N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cnc2ccsc2c1 ZINC000508127039 916944840 /nfs/dbraw/zinc/94/48/40/916944840.db2.gz XDVNHYACRMJZOD-MRXNPFEDSA-N -1 1 411.430 4.360 20 0 HIADMM CCN(CC)c1nc2sc(C(=O)[N-]c3nc4ccc(Cl)cn4n3)cc2s1 ZINC000508301165 917109758 /nfs/dbraw/zinc/10/97/58/917109758.db2.gz MOXVYTRSGODFIU-UHFFFAOYSA-N -1 1 406.924 4.152 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CCC(F)(F)F)cc2)cc1C ZINC000508777470 917531263 /nfs/dbraw/zinc/53/12/63/917531263.db2.gz DZPAHOMIQQFRKP-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1F ZINC000508821820 917575376 /nfs/dbraw/zinc/57/53/76/917575376.db2.gz KKNNQBNIIIQBCU-QMMMGPOBSA-N -1 1 424.252 4.098 20 0 HIADMM O=C(Nc1ccc2ccccc2n1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000508872359 917625175 /nfs/dbraw/zinc/62/51/75/917625175.db2.gz GSJAPRCJWIGXAZ-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 ZINC000509070424 917815650 /nfs/dbraw/zinc/81/56/50/917815650.db2.gz WDAMCLGJYUUWMX-UHFFFAOYSA-N -1 1 415.418 4.278 20 0 HIADMM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000509105754 917844805 /nfs/dbraw/zinc/84/48/05/917844805.db2.gz FSNIFNKEKCBOGF-UHFFFAOYSA-N -1 1 411.465 4.093 20 0 HIADMM COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)c2ccccc2)cc1 ZINC000509151089 917871907 /nfs/dbraw/zinc/87/19/07/917871907.db2.gz AMBWQUWTIROFAR-FQEVSTJZSA-N -1 1 410.857 4.164 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000509175129 917888138 /nfs/dbraw/zinc/88/81/38/917888138.db2.gz XJPBRHLNGDRXIG-HNNXBMFYSA-N -1 1 423.694 4.051 20 0 HIADMM O=C(COc1ccc(Cl)cc1C1CCCCC1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509278148 917961895 /nfs/dbraw/zinc/96/18/95/917961895.db2.gz XOHLUMVBGMLZDL-UHFFFAOYSA-N -1 1 419.909 4.261 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1nc(C)cs1 ZINC000509352522 918017259 /nfs/dbraw/zinc/01/72/59/918017259.db2.gz ZOWPSJJHZJPKEG-LLVKDONJSA-N -1 1 409.758 4.297 20 0 HIADMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1 ZINC000509374323 918038648 /nfs/dbraw/zinc/03/86/48/918038648.db2.gz HAKPHSLUPCTZEP-UHFFFAOYSA-N -1 1 415.437 4.264 20 0 HIADMM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000509388207 918054192 /nfs/dbraw/zinc/05/41/92/918054192.db2.gz POXMHGIUFSALTE-UHFFFAOYSA-N -1 1 414.327 4.151 20 0 HIADMM CC[C@H]1CCc2nc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)sc2C1 ZINC000509394450 918060273 /nfs/dbraw/zinc/06/02/73/918060273.db2.gz JNBAIDZGVGQQDV-AWEZNQCLSA-N -1 1 423.542 4.095 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)cc1 ZINC000509397100 918063737 /nfs/dbraw/zinc/06/37/37/918063737.db2.gz QNADFYYHYDFOJV-UHFFFAOYSA-N -1 1 413.474 4.345 20 0 HIADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(OCC4CCCCC4)cc3)cc12 ZINC000509582916 918231193 /nfs/dbraw/zinc/23/11/93/918231193.db2.gz ITILCQXQOYYSBA-UHFFFAOYSA-N -1 1 414.531 4.037 20 0 HIADMM Cc1cccc([C@@H]2CCCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000509770006 918384006 /nfs/dbraw/zinc/38/40/06/918384006.db2.gz HLSZLWBFJOPNTI-NRFANRHFSA-N -1 1 402.498 4.157 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4c(c3)COC4)c2)c1 ZINC000509985727 918573250 /nfs/dbraw/zinc/57/32/50/918573250.db2.gz WIRJGFPWKBCHAG-UHFFFAOYSA-N -1 1 422.506 4.387 20 0 HIADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)cc1 ZINC000511116294 919726789 /nfs/dbraw/zinc/72/67/89/919726789.db2.gz PYZGCRWFKGXXTJ-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)cn2)cc1 ZINC000511122198 919735290 /nfs/dbraw/zinc/73/52/90/919735290.db2.gz HXFPBZXOTCYPEJ-UHFFFAOYSA-N -1 1 412.467 4.000 20 0 HIADMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000511186404 919806384 /nfs/dbraw/zinc/80/63/84/919806384.db2.gz QRCARPUUOZOWMO-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1cccc(Br)c1Cl ZINC000511358434 919952394 /nfs/dbraw/zinc/95/23/94/919952394.db2.gz ILNRZHMVOBEBCQ-UHFFFAOYSA-N -1 1 406.651 4.113 20 0 HIADMM CC1(CC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCCCC1 ZINC000511489274 920098376 /nfs/dbraw/zinc/09/83/76/920098376.db2.gz JKVHHBRFBHQODE-UHFFFAOYSA-N -1 1 400.544 4.464 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000511699307 920365084 /nfs/dbraw/zinc/36/50/84/920365084.db2.gz GEZGATKTHXFYOS-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM CN(Cc1c(F)cccc1F)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000511980143 920749734 /nfs/dbraw/zinc/74/97/34/920749734.db2.gz BJJPWJXCKOZSGM-UHFFFAOYSA-N -1 1 416.449 4.038 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c(=O)[n-]1 ZINC000512025399 920800246 /nfs/dbraw/zinc/80/02/46/920800246.db2.gz QHHHLYIPBXJUKK-AWEZNQCLSA-N -1 1 417.428 4.094 20 0 HIADMM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1coc(-c2ccccc2)n1 ZINC000512293545 921048808 /nfs/dbraw/zinc/04/88/08/921048808.db2.gz FNQZYBJCCHUZRE-UHFFFAOYSA-N -1 1 410.231 4.142 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3ccc4c(c3)CCO4)no2)c1)c1ccccc1 ZINC000512324436 921075623 /nfs/dbraw/zinc/07/56/23/921075623.db2.gz HNIAZFJBVKDZMT-UHFFFAOYSA-N -1 1 419.462 4.139 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc2ncccc21 ZINC000513522293 921866636 /nfs/dbraw/zinc/86/66/36/921866636.db2.gz QSWWJCYSZVIQHM-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccccc2Oc2cnn(C)c2)c1 ZINC000513654648 921975430 /nfs/dbraw/zinc/97/54/30/921975430.db2.gz MTOBYLRZZFDVRM-UHFFFAOYSA-N -1 1 402.248 4.241 20 0 HIADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000513720981 922040829 /nfs/dbraw/zinc/04/08/29/922040829.db2.gz RAYYLFKSBHVMGG-LAUBAEHRSA-N -1 1 416.543 4.267 20 0 HIADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000513720980 922041296 /nfs/dbraw/zinc/04/12/96/922041296.db2.gz RAYYLFKSBHVMGG-DYESRHJHSA-N -1 1 416.543 4.267 20 0 HIADMM CC[C@@H]1C[C@H](CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513721423 922041742 /nfs/dbraw/zinc/04/17/42/922041742.db2.gz WPNPBZRUYQBBEP-VQIMIIECSA-N -1 1 402.516 4.021 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)c(Br)c1 ZINC000513788745 922116579 /nfs/dbraw/zinc/11/65/79/922116579.db2.gz WROSPZXWFUCULT-UHFFFAOYSA-N -1 1 420.126 4.024 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCc4ccccc4C3)c2)cc1 ZINC000514641186 922742342 /nfs/dbraw/zinc/74/23/42/922742342.db2.gz IQDPOJJUBPIBCT-QFIPXVFZSA-N -1 1 420.534 4.083 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000514810408 922809173 /nfs/dbraw/zinc/80/91/73/922809173.db2.gz ZIRYHGSCLZTXIE-QGZVFWFLSA-N -1 1 421.566 4.482 20 0 HIADMM COc1cccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000514918736 922844106 /nfs/dbraw/zinc/84/41/06/922844106.db2.gz BFCAAKKIOCEYBH-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1)N1CCCC1 ZINC000515064171 922892642 /nfs/dbraw/zinc/89/26/42/922892642.db2.gz BORKZGIJLFICPR-UHFFFAOYSA-N -1 1 418.518 4.295 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(c1ccccn1)C2)c1ccc(C(F)F)cc1 ZINC000515474230 923124018 /nfs/dbraw/zinc/12/40/18/923124018.db2.gz NEUACOLXVSRXKP-UHFFFAOYSA-N -1 1 401.438 4.340 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cc1Cl ZINC000515629950 923229216 /nfs/dbraw/zinc/22/92/16/923229216.db2.gz KVNPYMZAILJTCW-UHFFFAOYSA-N -1 1 408.838 4.476 20 0 HIADMM CN(C)C(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000515629096 923229254 /nfs/dbraw/zinc/22/92/54/923229254.db2.gz YKXDMOVEXUSCFJ-UHFFFAOYSA-N -1 1 416.543 4.002 20 0 HIADMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000515697568 923281045 /nfs/dbraw/zinc/28/10/45/923281045.db2.gz VHPDAKFLMXDRFC-KRWDZBQOSA-N -1 1 412.555 4.381 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c(=O)[n-]1 ZINC000515853585 923394948 /nfs/dbraw/zinc/39/49/48/923394948.db2.gz ALVGZKOYCSOFGX-LJQANCHMSA-N -1 1 421.513 4.234 20 0 HIADMM O=C(Nc1cc(F)c(F)c(F)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000516122304 923555946 /nfs/dbraw/zinc/55/59/46/923555946.db2.gz QOIBQAQMJKWRRR-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)CCCCF)c(C(F)(F)F)c1)c1ccco1 ZINC000516209678 923600702 /nfs/dbraw/zinc/60/07/02/923600702.db2.gz HYNWHIZNRALJAG-UHFFFAOYSA-N -1 1 408.373 4.042 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(CN(C(C)=O)C(C)C)cc2)c1 ZINC000516220864 923608652 /nfs/dbraw/zinc/60/86/52/923608652.db2.gz CLUGTBBLNUKLRI-UHFFFAOYSA-N -1 1 424.950 4.044 20 0 HIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2C(F)(F)F)cc1 ZINC000516333787 923671830 /nfs/dbraw/zinc/67/18/30/923671830.db2.gz YSLHLEYZIFBSAJ-UHFFFAOYSA-N -1 1 403.422 4.001 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 ZINC000516611859 923817603 /nfs/dbraw/zinc/81/76/03/923817603.db2.gz XZXNSSOUSJONPG-UHFFFAOYSA-N -1 1 419.409 4.328 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@@H]1C1CCCC1 ZINC000517097522 923995531 /nfs/dbraw/zinc/99/55/31/923995531.db2.gz FRPVIVKBURRKTL-OAQYLSRUSA-N -1 1 416.518 4.421 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000517457930 924203978 /nfs/dbraw/zinc/20/39/78/924203978.db2.gz PRJRNBRDWFWZQX-OXJNMPFZSA-N -1 1 424.522 4.442 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000517539957 924253761 /nfs/dbraw/zinc/25/37/61/924253761.db2.gz QNDYEXMVJFPPPC-UHFFFAOYSA-N -1 1 408.408 4.178 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000517622807 926730305 /nfs/dbraw/zinc/73/03/05/926730305.db2.gz RFQSGAADFLAATN-UHFFFAOYSA-N -1 1 413.421 4.161 20 0 HIADMM O=C(CC[C@@H]1CCCCO1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000517663676 926771206 /nfs/dbraw/zinc/77/12/06/926771206.db2.gz DSSQYZWAFDPCOP-SFHVURJKSA-N -1 1 422.934 4.429 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2C(F)(F)F)cc1 ZINC000517896940 926880425 /nfs/dbraw/zinc/88/04/25/926880425.db2.gz IHQZRMLWDWZRNV-ZDUSSCGKSA-N -1 1 417.449 4.391 20 0 HIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3NC(=O)c3cccs3)ccc2O1 ZINC000518492782 927306680 /nfs/dbraw/zinc/30/66/80/927306680.db2.gz OPEMMBHLDQXSKY-ZDUSSCGKSA-N -1 1 414.508 4.125 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2-n2cccn2)c(C)c1 ZINC000518741974 927468579 /nfs/dbraw/zinc/46/85/79/927468579.db2.gz QPABIVMDRNQVBC-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM Cc1ccc(C(=O)N(C)CC2CCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000518962163 927660646 /nfs/dbraw/zinc/66/06/46/927660646.db2.gz ARWIPNSQNQOWAF-UHFFFAOYSA-N -1 1 406.935 4.321 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1 ZINC000519059288 927735352 /nfs/dbraw/zinc/73/53/52/927735352.db2.gz WQQZKTFOQGOKRT-MRXNPFEDSA-N -1 1 400.544 4.230 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc1 ZINC000519059114 927736143 /nfs/dbraw/zinc/73/61/43/927736143.db2.gz IAUAAWVNBBZBLI-INIZCTEOSA-N -1 1 416.543 4.067 20 0 HIADMM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000519126317 927792488 /nfs/dbraw/zinc/79/24/88/927792488.db2.gz ZJDJJTVCBBKZTJ-UCLAIMLFSA-N -1 1 404.304 4.236 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1Cl ZINC000519321917 927880330 /nfs/dbraw/zinc/88/03/30/927880330.db2.gz OEIRGCZWNCAANC-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000519402325 927923536 /nfs/dbraw/zinc/92/35/36/927923536.db2.gz JWXAGSWIEQMSFT-UHFFFAOYSA-N -1 1 420.494 4.244 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000519425743 927939057 /nfs/dbraw/zinc/93/90/57/927939057.db2.gz KKXYVGNYQDDZGE-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000519476625 927976039 /nfs/dbraw/zinc/97/60/39/927976039.db2.gz HCXQRHPYJYQRPQ-UHFFFAOYSA-N -1 1 419.506 4.467 20 0 HIADMM C[C@@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)c2)C1 ZINC000519876634 928111065 /nfs/dbraw/zinc/11/10/65/928111065.db2.gz ZXKLICDDNKLSBQ-RHSMWYFYSA-N -1 1 416.499 4.430 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000519914928 928149195 /nfs/dbraw/zinc/14/91/95/928149195.db2.gz ZBCASFSJIAQPQJ-IBGZPJMESA-N -1 1 424.497 4.256 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000519993105 928220721 /nfs/dbraw/zinc/22/07/21/928220721.db2.gz OUSRFVBKQANNIM-CQSZACIVSA-N -1 1 406.935 4.321 20 0 HIADMM O=S(=O)([N-]CCc1cc(Cl)cc(Cl)c1)c1sccc1Br ZINC000519996925 928224528 /nfs/dbraw/zinc/22/45/28/928224528.db2.gz KLOKBWWNFMENAP-UHFFFAOYSA-N -1 1 415.161 4.338 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3F)c2)cc1 ZINC000520058567 928283332 /nfs/dbraw/zinc/28/33/32/928283332.db2.gz NNGFKWGOMKUREB-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CC[C@H]1c2ccsc2CCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000520132897 928330096 /nfs/dbraw/zinc/33/00/96/928330096.db2.gz OGSVSEHZQHADRZ-SFHVURJKSA-N -1 1 408.527 4.083 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)cs1 ZINC000520333784 928498343 /nfs/dbraw/zinc/49/83/43/928498343.db2.gz BQMPEUGQKSZDAL-UHFFFAOYSA-N -1 1 418.427 4.194 20 0 HIADMM CCCOC1(c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)CCCCC1 ZINC000520458884 928578023 /nfs/dbraw/zinc/57/80/23/928578023.db2.gz FTCOHOMRICWGDY-UHFFFAOYSA-N -1 1 423.517 4.307 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCSCC2)ccc1F ZINC000520638569 928693734 /nfs/dbraw/zinc/69/37/34/928693734.db2.gz JZHKAYYTRHVCFL-UHFFFAOYSA-N -1 1 400.928 4.142 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1 ZINC000520703263 928749050 /nfs/dbraw/zinc/74/90/50/928749050.db2.gz XARWDQZHSHUMPL-INIZCTEOSA-N -1 1 414.527 4.013 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000520712265 928761375 /nfs/dbraw/zinc/76/13/75/928761375.db2.gz IDOQZHLKGYUGCS-OAHLLOKOSA-N -1 1 416.518 4.338 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000520712264 928761671 /nfs/dbraw/zinc/76/16/71/928761671.db2.gz IDOQZHLKGYUGCS-HNNXBMFYSA-N -1 1 416.518 4.338 20 0 HIADMM Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000520732129 928781281 /nfs/dbraw/zinc/78/12/81/928781281.db2.gz OFWSIODIJWQYFB-LJQANCHMSA-N -1 1 422.550 4.465 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Cl)sc1Cl ZINC000520738338 928787883 /nfs/dbraw/zinc/78/78/83/928787883.db2.gz WOYQQILGHIKOCR-FZMZJTMJSA-N -1 1 410.319 4.393 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@H]2CC[C@H](C)CC2)c1 ZINC000520858287 928847175 /nfs/dbraw/zinc/84/71/75/928847175.db2.gz XUENWPMKTYHNSJ-PPUGGXLSSA-N -1 1 404.507 4.243 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)ccc1OC(C)C ZINC000520958472 928889667 /nfs/dbraw/zinc/88/96/67/928889667.db2.gz FSJNXUKAWHYSEW-FQEVSTJZSA-N -1 1 415.515 4.311 20 0 HIADMM Cc1cc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1Br ZINC000521041744 928955547 /nfs/dbraw/zinc/95/55/47/928955547.db2.gz OHMHGQSPTAAVJY-UHFFFAOYSA-N -1 1 422.226 4.003 20 0 HIADMM CO[C@@](C)(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000521250412 929082572 /nfs/dbraw/zinc/08/25/72/929082572.db2.gz XTEIBBMAABXTME-HSZRJFAPSA-N -1 1 424.522 4.296 20 0 HIADMM O=S(=O)([N-]c1cccc(OC[C@H]2CCCO2)c1)c1ccc(C(F)(F)F)cc1 ZINC000521336848 929150674 /nfs/dbraw/zinc/15/06/74/929150674.db2.gz DIZQGZPROPSYNJ-MRXNPFEDSA-N -1 1 401.406 4.064 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccsc2)n1)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000521347150 929163149 /nfs/dbraw/zinc/16/31/49/929163149.db2.gz HNMQXFPVKYMQCK-UHFFFAOYSA-N -1 1 422.944 4.284 20 0 HIADMM O=S(=O)(Cc1csc(-c2ccsc2)n1)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000521347150 929163164 /nfs/dbraw/zinc/16/31/64/929163164.db2.gz HNMQXFPVKYMQCK-UHFFFAOYSA-N -1 1 422.944 4.284 20 0 HIADMM CCC1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC1 ZINC000521379970 929197318 /nfs/dbraw/zinc/19/73/18/929197318.db2.gz FQKDMSMNFXDDPU-UHFFFAOYSA-N -1 1 406.935 4.403 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cccs1 ZINC000521678304 929362215 /nfs/dbraw/zinc/36/22/15/929362215.db2.gz SXZCBSGIKITTOK-UHFFFAOYSA-N -1 1 404.488 4.178 20 0 HIADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1F ZINC000521705476 929378401 /nfs/dbraw/zinc/37/84/01/929378401.db2.gz WXBLVRHFJOPORP-UHFFFAOYSA-N -1 1 411.813 4.359 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCC[C@H]1C1CCC1 ZINC000524499985 929646402 /nfs/dbraw/zinc/64/64/02/929646402.db2.gz MAEIUYJWULFZEE-FQEVSTJZSA-N -1 1 402.491 4.031 20 0 HIADMM Cc1ccc2oc(C(=O)Nc3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2n1 ZINC000524707303 929806153 /nfs/dbraw/zinc/80/61/53/929806153.db2.gz IPUZPWIEAQTTDM-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(I)cc1Cl ZINC000525012830 929973956 /nfs/dbraw/zinc/97/39/56/929973956.db2.gz JADNIMDTNGIHQO-UHFFFAOYSA-N -1 1 413.689 4.115 20 0 HIADMM O=[S@](Cc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1)c1ccccc1 ZINC000525019662 929978382 /nfs/dbraw/zinc/97/83/82/929978382.db2.gz ZXFADGDQXAYSEN-MUUNZHRXSA-N -1 1 422.531 4.343 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(-c2ccccc2)no1 ZINC000525067278 930013945 /nfs/dbraw/zinc/01/39/45/930013945.db2.gz AFKXLJWKHJPMRS-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000525102443 930036908 /nfs/dbraw/zinc/03/69/08/930036908.db2.gz PKEZHRNFHXHIMI-HZPDHXFCSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccc(NC(=O)CNc2c(C)cccc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000525105787 930039770 /nfs/dbraw/zinc/03/97/70/930039770.db2.gz WCIUEVZVOIRFQK-UHFFFAOYSA-N -1 1 423.538 4.463 20 0 HIADMM O=S(=O)([N-]c1ccc(Cc2nnc3ccccn32)cc1)c1ccc2ccccc2c1 ZINC000525227020 930093979 /nfs/dbraw/zinc/09/39/79/930093979.db2.gz STTFTEFHIVTRFP-UHFFFAOYSA-N -1 1 414.490 4.274 20 0 HIADMM Cc1cccc([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000525467488 930257751 /nfs/dbraw/zinc/25/77/51/930257751.db2.gz MGHDVQYVJWIATE-SFHVURJKSA-N -1 1 408.523 4.329 20 0 HIADMM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525585584 930347509 /nfs/dbraw/zinc/34/75/09/930347509.db2.gz BHMFPZACIRIOJA-KRWDZBQOSA-N -1 1 422.506 4.382 20 0 HIADMM C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525603711 930357735 /nfs/dbraw/zinc/35/77/35/930357735.db2.gz BDQNOMHKGNWCAI-KRWDZBQOSA-N -1 1 406.507 4.074 20 0 HIADMM CCSCc1cccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000525608761 930360070 /nfs/dbraw/zinc/36/00/70/930360070.db2.gz JOWFIWMDOABFRR-UHFFFAOYSA-N -1 1 408.527 4.377 20 0 HIADMM CC(C)(C)[C@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000525714934 930413656 /nfs/dbraw/zinc/41/36/56/930413656.db2.gz NOVATRZGIXOPRV-LJQANCHMSA-N -1 1 422.497 4.416 20 0 HIADMM CC1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000525771084 930437953 /nfs/dbraw/zinc/43/79/53/930437953.db2.gz DTTUYVSQDRQRER-UHFFFAOYSA-N -1 1 404.507 4.279 20 0 HIADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000525771400 930438789 /nfs/dbraw/zinc/43/87/89/930438789.db2.gz LERCUHLLKUHJHP-RTWAWAEBSA-N -1 1 416.518 4.325 20 0 HIADMM COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc(Cl)c1[O-] ZINC000526954474 930556618 /nfs/dbraw/zinc/55/66/18/930556618.db2.gz JSRJNJDHHIPIRY-HXUWFJFHSA-N -1 1 407.857 4.450 20 0 HIADMM COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc(Cl)c1[O-] ZINC000526954474 930556621 /nfs/dbraw/zinc/55/66/21/930556621.db2.gz JSRJNJDHHIPIRY-HXUWFJFHSA-N -1 1 407.857 4.450 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c2cccnc12 ZINC000526997472 930563838 /nfs/dbraw/zinc/56/38/38/930563838.db2.gz CNLARVRKHUXKLW-UHFFFAOYSA-N -1 1 405.479 4.415 20 0 HIADMM O=C(Nc1cccc2ccncc21)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000530803440 930827496 /nfs/dbraw/zinc/82/74/96/930827496.db2.gz FZJRHMPDFJBRTH-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1Br ZINC000530887822 930850150 /nfs/dbraw/zinc/85/01/50/930850150.db2.gz UQYULUUPGZUZTQ-UHFFFAOYSA-N -1 1 418.272 4.386 20 0 HIADMM COc1ccc(NC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000531340399 931023026 /nfs/dbraw/zinc/02/30/26/931023026.db2.gz QJCPLEPNFFVMQC-UHFFFAOYSA-N -1 1 419.547 4.028 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1Br ZINC000531588985 931111431 /nfs/dbraw/zinc/11/14/31/931111431.db2.gz ZZBDHRHZDPJRKV-UHFFFAOYSA-N -1 1 407.289 4.197 20 0 HIADMM C[C@H](NC(=O)c1cncc([O-])c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000532184998 931339370 /nfs/dbraw/zinc/33/93/70/931339370.db2.gz JPVNSUSJTZEPND-JTQLQIEISA-N -1 1 404.289 4.164 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cnc2n1 ZINC000532838307 931650137 /nfs/dbraw/zinc/65/01/37/931650137.db2.gz WLLYQYSCJSTQRN-HNNXBMFYSA-N -1 1 411.889 4.228 20 0 HIADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)c[n-]c2n1 ZINC000532838307 931650146 /nfs/dbraw/zinc/65/01/46/931650146.db2.gz WLLYQYSCJSTQRN-HNNXBMFYSA-N -1 1 411.889 4.228 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)[C@H]1COc2ccccc21 ZINC000533180344 931802960 /nfs/dbraw/zinc/80/29/60/931802960.db2.gz MIGOWWPTKGOKBB-PSASIEDQSA-N -1 1 422.753 4.007 20 0 HIADMM CCCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000533683452 931968862 /nfs/dbraw/zinc/96/88/62/931968862.db2.gz RLESAPCMWNIRKI-LLVKDONJSA-N -1 1 419.330 4.108 20 0 HIADMM COc1ccccc1S(=O)(=O)[N-]c1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000533946746 932120266 /nfs/dbraw/zinc/12/02/66/932120266.db2.gz IZHUMNPUVMBXQN-UHFFFAOYSA-N -1 1 411.458 4.102 20 0 HIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000533954032 932127227 /nfs/dbraw/zinc/12/72/27/932127227.db2.gz ZGGPJMCUUOALGR-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM CSc1ccc(-c2nsc([N-]C(=O)c3cnc([C@@H]4CCCO4)s3)n2)cc1 ZINC000534082907 932262713 /nfs/dbraw/zinc/26/27/13/932262713.db2.gz ZMGGOPPKMRETOT-LBPRGKRZSA-N -1 1 404.542 4.487 20 0 HIADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)co1 ZINC000534393137 932418046 /nfs/dbraw/zinc/41/80/46/932418046.db2.gz OENHNKCTZISPLJ-UHFFFAOYSA-N -1 1 422.915 4.245 20 0 HIADMM O=C(Nc1cncc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000534730287 932698787 /nfs/dbraw/zinc/69/87/87/932698787.db2.gz GIWVVPPRLLRTIG-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cccc(C)c2Br)n[nH]c1-c1ccccc1 ZINC000534799541 932777188 /nfs/dbraw/zinc/77/71/88/932777188.db2.gz BVDVRCJJYVFEQK-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM CCc1onc(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000534865400 932814241 /nfs/dbraw/zinc/81/42/41/932814241.db2.gz MVDUEYKBLXSJAN-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1)c1ccc(F)cc1 ZINC000534942972 932849721 /nfs/dbraw/zinc/84/97/21/932849721.db2.gz BMYDIMYGNGIXLK-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM O=S(=O)([N-]C1CCC(F)(F)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000535580155 933253650 /nfs/dbraw/zinc/25/36/50/933253650.db2.gz PSGAUBGWCLHLJV-UHFFFAOYSA-N -1 1 422.213 4.324 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)cnn1-c1ccccn1 ZINC000535655708 933297789 /nfs/dbraw/zinc/29/77/89/933297789.db2.gz MGGXUSKGPRVFSI-UHFFFAOYSA-N -1 1 416.812 4.049 20 0 HIADMM CN1CC[C@@H](CNC(=O)CC2(CC(=O)[O-])CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535691867 933346652 /nfs/dbraw/zinc/34/66/52/933346652.db2.gz OWXGKIQFOWDJAL-HRAATJIYSA-N -1 1 424.944 4.403 20 0 HIADMM O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(Br)c([O-])c1 ZINC000535719630 933367214 /nfs/dbraw/zinc/36/72/14/933367214.db2.gz LDYPVESUBBTLKW-TZMCWYRMSA-N -1 1 411.093 4.203 20 0 HIADMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CCOCC1 ZINC000535883016 933463540 /nfs/dbraw/zinc/46/35/40/933463540.db2.gz OSCANGSBQXQYQA-CQSZACIVSA-N -1 1 422.934 4.142 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)cc1C ZINC000536109236 933660346 /nfs/dbraw/zinc/66/03/46/933660346.db2.gz ULVQLMXAWAGCEV-UHFFFAOYSA-N -1 1 415.540 4.090 20 0 HIADMM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000536131571 933679680 /nfs/dbraw/zinc/67/96/80/933679680.db2.gz NJTQQJUJNZOSJO-UHFFFAOYSA-N -1 1 408.810 4.475 20 0 HIADMM O=C(N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000537421262 933770059 /nfs/dbraw/zinc/77/00/59/933770059.db2.gz CRHCGMCCJCNPGQ-GOEBONIOSA-N -1 1 401.388 4.008 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)c3cccc(C)n3)ccc2C)c1 ZINC000562897241 945144980 /nfs/dbraw/zinc/14/49/80/945144980.db2.gz TZOOCUSLRZCDIQ-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)cn2)cc1 ZINC000537836957 938386278 /nfs/dbraw/zinc/38/62/78/938386278.db2.gz NIDCNCBRTJSUNN-UHFFFAOYSA-N -1 1 412.467 4.008 20 0 HIADMM O=C(C[C@@H]1C=CCC1)Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000537836087 938386563 /nfs/dbraw/zinc/38/65/63/938386563.db2.gz CWPHQFDEBNDRRH-MRXNPFEDSA-N -1 1 412.511 4.107 20 0 HIADMM O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1c(F)ccc([O-])c1F ZINC000538322941 938592470 /nfs/dbraw/zinc/59/24/70/938592470.db2.gz GIDJKKRSNLHSNY-MUUNZHRXSA-N -1 1 401.434 4.372 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000539035091 938776064 /nfs/dbraw/zinc/77/60/64/938776064.db2.gz CEDGXUQVYYMJGG-LLVKDONJSA-N -1 1 419.312 4.047 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)cc1 ZINC000539108855 938804237 /nfs/dbraw/zinc/80/42/37/938804237.db2.gz JXMWEVZBVIGODL-UHFFFAOYSA-N -1 1 409.511 4.190 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1Br ZINC000539114914 938805003 /nfs/dbraw/zinc/80/50/03/938805003.db2.gz NRYYNMMEULWQGF-UHFFFAOYSA-N -1 1 400.294 4.046 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)ccc1F ZINC000539116166 938805278 /nfs/dbraw/zinc/80/52/78/938805278.db2.gz PBGSWXUOCDJTIS-UHFFFAOYSA-N -1 1 414.458 4.164 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000539135236 938809097 /nfs/dbraw/zinc/80/90/97/938809097.db2.gz CYPLEAXREDPZOI-GOSISDBHSA-N -1 1 424.563 4.149 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000539135427 938809153 /nfs/dbraw/zinc/80/91/53/938809153.db2.gz GKVCZHNEYWAHIJ-SFHVURJKSA-N -1 1 420.600 4.318 20 0 HIADMM C[C@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000539150623 938811654 /nfs/dbraw/zinc/81/16/54/938811654.db2.gz WNDZHBFKTUKQTP-LLVKDONJSA-N -1 1 418.412 4.348 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C(F)(F)F)cc1 ZINC000539240745 938824037 /nfs/dbraw/zinc/82/40/37/938824037.db2.gz KLQGASQBPQYVGY-UHFFFAOYSA-N -1 1 403.422 4.440 20 0 HIADMM COc1ccc(NC(=O)CCCc2ccc3ccccc3c2)cc1[N-]S(C)(=O)=O ZINC000539366218 938849640 /nfs/dbraw/zinc/84/96/40/938849640.db2.gz JIQFWGFYTIBBRV-UHFFFAOYSA-N -1 1 412.511 4.181 20 0 HIADMM CN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1ccc(F)cc1 ZINC000539415368 938857482 /nfs/dbraw/zinc/85/74/82/938857482.db2.gz DIWLKMLXNMNCGN-UHFFFAOYSA-N -1 1 409.642 4.360 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000540236570 939158138 /nfs/dbraw/zinc/15/81/38/939158138.db2.gz WVSYNOIKONFNIW-QGZVFWFLSA-N -1 1 406.573 4.009 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)cc4n3)cc2)cc1 ZINC000540332010 939197680 /nfs/dbraw/zinc/19/76/80/939197680.db2.gz VGLFQCNWFVKCDX-UHFFFAOYSA-N -1 1 407.495 4.257 20 0 HIADMM O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)s1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540423277 939242931 /nfs/dbraw/zinc/24/29/31/939242931.db2.gz RAAFRINHKNCPIC-LLVKDONJSA-N -1 1 408.314 4.255 20 0 HIADMM COc1cc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])ccc1OC(F)F ZINC000540705463 939344168 /nfs/dbraw/zinc/34/41/68/939344168.db2.gz HWEAPQBJISZJII-UHFFFAOYSA-N -1 1 405.319 4.293 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCCOC(C)C)cc2)c1C ZINC000541253528 939487798 /nfs/dbraw/zinc/48/77/98/939487798.db2.gz PCQXSZJZCPQVOK-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000541288209 939489467 /nfs/dbraw/zinc/48/94/67/939489467.db2.gz ATFBRTUMQXWDSP-UHFFFAOYSA-N -1 1 403.552 4.131 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)cc1OCC ZINC000541307548 939490412 /nfs/dbraw/zinc/49/04/12/939490412.db2.gz XEOHAPWINRCNKZ-UHFFFAOYSA-N -1 1 415.458 4.350 20 0 HIADMM O=S(=O)([N-]c1cccc(C(F)F)c1Cl)c1cnn(-c2ccccc2F)c1 ZINC000541794308 939632995 /nfs/dbraw/zinc/63/29/95/939632995.db2.gz ODCLJTIBIPIBMP-UHFFFAOYSA-N -1 1 401.797 4.403 20 0 HIADMM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cc(Br)sc2Cl)s1 ZINC000541808947 939639514 /nfs/dbraw/zinc/63/95/14/939639514.db2.gz HYKYOVRVTJKRPV-ZCFIWIBFSA-N -1 1 415.787 4.011 20 0 HIADMM Cc1nc(-c2ccc(N3CCc4ccc(Br)cc4C3)nc2)[n-]c(=O)c1C ZINC000563715860 945264220 /nfs/dbraw/zinc/26/42/20/945264220.db2.gz OUUNVKIVXMAUDH-UHFFFAOYSA-N -1 1 411.303 4.186 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3Cc4ccccc4[C@@H]3C)cc2)cc1 ZINC000542171573 939743418 /nfs/dbraw/zinc/74/34/18/939743418.db2.gz FZHVBGSZSXADOW-INIZCTEOSA-N -1 1 422.506 4.213 20 0 HIADMM COc1cc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000563728787 945269857 /nfs/dbraw/zinc/26/98/57/945269857.db2.gz LLBDMSGPRYNWGY-UHFFFAOYSA-N -1 1 402.756 4.197 20 0 HIADMM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000542458074 939826259 /nfs/dbraw/zinc/82/62/59/939826259.db2.gz DFZQJAZTCCYDHK-ZDUSSCGKSA-N -1 1 410.136 4.466 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1Cl ZINC000543022290 939897024 /nfs/dbraw/zinc/89/70/24/939897024.db2.gz DCWAKOWMMOPNHL-UHFFFAOYSA-N -1 1 402.697 4.414 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c(C)c1F ZINC000543022924 939897154 /nfs/dbraw/zinc/89/71/54/939897154.db2.gz OIGRYWHQXYLFIT-UHFFFAOYSA-N -1 1 420.487 4.257 20 0 HIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000563757367 945285686 /nfs/dbraw/zinc/28/56/86/945285686.db2.gz BNNNIXCZMFYATC-UHFFFAOYSA-N -1 1 403.884 4.179 20 0 HIADMM Cc1ccc(CS(=O)(=O)[N-]c2noc(-c3ccccc3)c2Br)cc1 ZINC000563757838 945288289 /nfs/dbraw/zinc/28/82/89/945288289.db2.gz UTRLFBLDWHHKKU-UHFFFAOYSA-N -1 1 407.289 4.354 20 0 HIADMM CN(CCc1ccccc1O)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000543244607 940006837 /nfs/dbraw/zinc/00/68/37/940006837.db2.gz IGZISTANKHBTIR-UHFFFAOYSA-N -1 1 409.486 4.171 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000543500112 940086737 /nfs/dbraw/zinc/08/67/37/940086737.db2.gz BSDPAXJCMRELQP-UHFFFAOYSA-N -1 1 421.331 4.092 20 0 HIADMM CCC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000543593493 940123774 /nfs/dbraw/zinc/12/37/74/940123774.db2.gz IQCKSLWFXLPPJS-LJQANCHMSA-N -1 1 416.543 4.291 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000543929514 940250764 /nfs/dbraw/zinc/25/07/64/940250764.db2.gz KOUGRIBKPGJRRQ-UHFFFAOYSA-N -1 1 412.458 4.156 20 0 HIADMM Cc1ccc(NC(=O)c2c(F)ccc(F)c2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000544057651 940313076 /nfs/dbraw/zinc/31/30/76/940313076.db2.gz OOGJWXWZXSRHLX-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1cccc([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)C2)c1 ZINC000544282455 940378897 /nfs/dbraw/zinc/37/88/97/940378897.db2.gz BJNPQXVECJGOPI-NRFANRHFSA-N -1 1 420.534 4.426 20 0 HIADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)C2)cc1 ZINC000544317737 940388646 /nfs/dbraw/zinc/38/86/46/940388646.db2.gz BGYXKFKXQWSCHL-NRFANRHFSA-N -1 1 420.534 4.426 20 0 HIADMM CCC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000544572800 940482584 /nfs/dbraw/zinc/48/25/84/940482584.db2.gz PFZCSXMRWNPTIE-IBGZPJMESA-N -1 1 416.543 4.291 20 0 HIADMM CCNc1ccc(Cl)cc1NC(=O)c1ccc(I)c([O-])c1 ZINC000544872464 940520836 /nfs/dbraw/zinc/52/08/36/940520836.db2.gz RMMBQSMWPSLZHE-UHFFFAOYSA-N -1 1 416.646 4.334 20 0 HIADMM CCSCc1noc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)n1 ZINC000544984597 940530991 /nfs/dbraw/zinc/53/09/91/940530991.db2.gz MHFQFZDAVGPYPB-UHFFFAOYSA-N -1 1 403.529 4.407 20 0 HIADMM CCOc1cc(C(=O)N(CC)CC(=O)Nc2c(C)cccc2C)cc(Cl)c1[O-] ZINC000545146324 940550995 /nfs/dbraw/zinc/55/09/95/940550995.db2.gz AEDGNBZMZIOZTI-UHFFFAOYSA-N -1 1 404.894 4.162 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)cc(Cl)c1[O-] ZINC000545169216 940553857 /nfs/dbraw/zinc/55/38/57/940553857.db2.gz CKMOMCDUICVAAZ-UHFFFAOYSA-N -1 1 402.878 4.241 20 0 HIADMM C[C@@H]1CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1(C)C ZINC000545405654 940568564 /nfs/dbraw/zinc/56/85/64/940568564.db2.gz HPZYRZWVROXGTK-QGZVFWFLSA-N -1 1 415.559 4.065 20 0 HIADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000545494723 940572027 /nfs/dbraw/zinc/57/20/27/940572027.db2.gz YCZKBIUEVJVWLB-DZGCQCFKSA-N -1 1 421.278 4.090 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(CSCC)no3)cc2)cc1 ZINC000545716556 940582092 /nfs/dbraw/zinc/58/20/92/940582092.db2.gz OGNAAAKJEBZOCD-UHFFFAOYSA-N -1 1 419.528 4.189 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(C[C@H](C)c2ccccc2)no1 ZINC000545760900 940584343 /nfs/dbraw/zinc/58/43/43/940584343.db2.gz OKTUTUYAHDIIRX-HNNXBMFYSA-N -1 1 401.470 4.067 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc(Cl)c1[O-] ZINC000545857902 940639303 /nfs/dbraw/zinc/63/93/03/940639303.db2.gz YGAIIGGAWWBBRZ-UHFFFAOYSA-N -1 1 412.877 4.291 20 0 HIADMM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000563987483 945336939 /nfs/dbraw/zinc/33/69/39/945336939.db2.gz HTBBMIQUSHGWIW-AWEZNQCLSA-N -1 1 424.526 4.229 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(Cl)c2OCCOC)cc(Cl)c1[O-] ZINC000545877877 940649403 /nfs/dbraw/zinc/64/94/03/940649403.db2.gz DXQJJNBLLRYBFC-UHFFFAOYSA-N -1 1 400.258 4.375 20 0 HIADMM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)ccc21 ZINC000546072830 940691732 /nfs/dbraw/zinc/69/17/32/940691732.db2.gz DOJXZZFJANGEJH-UHFFFAOYSA-N -1 1 412.433 4.114 20 0 HIADMM CC(C)n1cc2cc(NC(=O)c3ccc(I)c([O-])c3)ccc2n1 ZINC000546200828 940727771 /nfs/dbraw/zinc/72/77/71/940727771.db2.gz DZIBBLUNYIGRDE-UHFFFAOYSA-N -1 1 421.238 4.180 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC)CCC3CC3)c2)cc1 ZINC000546214224 940731225 /nfs/dbraw/zinc/73/12/25/940731225.db2.gz GNAJTJVSMVPASE-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000546250122 940748700 /nfs/dbraw/zinc/74/87/00/940748700.db2.gz NVMVVTNIOREVLJ-MRVPVSSYSA-N -1 1 404.300 4.144 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CC=C(c4cccc(Br)c4)CC3)cnc2n1 ZINC000546570189 940855353 /nfs/dbraw/zinc/85/53/53/940855353.db2.gz KVLSJSCCLPTQFB-UHFFFAOYSA-N -1 1 424.298 4.336 20 0 HIADMM Cc1ccc2c(=O)c(C(=O)N3CC=C(c4cccc(Br)c4)CC3)c[n-]c2n1 ZINC000546570189 940855355 /nfs/dbraw/zinc/85/53/55/940855355.db2.gz KVLSJSCCLPTQFB-UHFFFAOYSA-N -1 1 424.298 4.336 20 0 HIADMM CCOc1cc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc(Cl)c1[O-] ZINC000546585216 940858191 /nfs/dbraw/zinc/85/81/91/940858191.db2.gz HBTCERGVBGDTLX-GFCCVEGCSA-N -1 1 409.939 4.385 20 0 HIADMM CCOc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc(Cl)c1[O-] ZINC000546584651 940858197 /nfs/dbraw/zinc/85/81/97/940858197.db2.gz OYFAPTSSMNVODQ-KRWDZBQOSA-N -1 1 414.260 4.451 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3cnccc3C)cc2)c1 ZINC000546656802 940865964 /nfs/dbraw/zinc/86/59/64/940865964.db2.gz KTTCIZUCJHZYHR-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM Cc1nc2ccc(NC(=O)c3ccc(I)c([O-])c3)cc2s1 ZINC000546875562 940899565 /nfs/dbraw/zinc/89/95/65/940899565.db2.gz CXWJMQDQNIPDRA-UHFFFAOYSA-N -1 1 410.236 4.167 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1OC(F)F ZINC000546897645 940905743 /nfs/dbraw/zinc/90/57/43/940905743.db2.gz TUNGYHHENJWVAD-UHFFFAOYSA-N -1 1 419.165 4.159 20 0 HIADMM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(I)c([O-])c1 ZINC000546919485 940913106 /nfs/dbraw/zinc/91/31/06/940913106.db2.gz ZINKBXFRSBVWMN-UHFFFAOYSA-N -1 1 419.621 4.062 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccccn4)no3)cc2)c1C ZINC000546967788 940931758 /nfs/dbraw/zinc/93/17/58/940931758.db2.gz YAWLRLQIBDEFJG-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM COCc1ccc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)cc1 ZINC000547051732 940975415 /nfs/dbraw/zinc/97/54/15/940975415.db2.gz CDYJIPCQJYDMPB-UHFFFAOYSA-N -1 1 421.478 4.351 20 0 HIADMM CSc1nc(C)c(CCc2nc(CCCOc3cccc(C)c3C)no2)c(=O)[n-]1 ZINC000547101872 940996007 /nfs/dbraw/zinc/99/60/07/940996007.db2.gz YWEOICGLLPMOCQ-UHFFFAOYSA-N -1 1 414.531 4.009 20 0 HIADMM CCc1cnccc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000547153370 941013613 /nfs/dbraw/zinc/01/36/13/941013613.db2.gz ADNLCUMDIGHSAH-UHFFFAOYSA-N -1 1 424.457 4.301 20 0 HIADMM CCS[C@H](C)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)n1 ZINC000547201510 941030199 /nfs/dbraw/zinc/03/01/99/941030199.db2.gz VKYIIXCWLAFGAQ-CYBMUJFWSA-N -1 1 419.528 4.360 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@H]4CCO[C@H](C)C4)no3)cc2)cc1 ZINC000547211433 941033896 /nfs/dbraw/zinc/03/38/96/941033896.db2.gz QKQLTYKVIDCDHC-WBVHZDCISA-N -1 1 413.499 4.128 20 0 HIADMM CCOc1cc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc(Cl)c1[O-] ZINC000547261786 941046430 /nfs/dbraw/zinc/04/64/30/941046430.db2.gz FAUJZZDQBBPQSP-LJQANCHMSA-N -1 1 400.837 4.498 20 0 HIADMM CCOc1cc(C(=O)N2CCC(Nc3cccc(OC)c3)CC2)cc(Cl)c1[O-] ZINC000547267603 941048603 /nfs/dbraw/zinc/04/86/03/941048603.db2.gz DJJKDKARKCWDMD-UHFFFAOYSA-N -1 1 404.894 4.170 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc(Cl)c1[O-] ZINC000547290713 941053437 /nfs/dbraw/zinc/05/34/37/941053437.db2.gz FPPBOBAYRFTOGS-UHFFFAOYSA-N -1 1 402.878 4.209 20 0 HIADMM O=S(=O)([N-]Cc1cccc(COCc2ccco2)c1)c1c(F)cccc1Cl ZINC000547329361 941056353 /nfs/dbraw/zinc/05/63/53/941056353.db2.gz QSCFSBOXSFWPSD-UHFFFAOYSA-N -1 1 409.866 4.267 20 0 HIADMM Cc1nc2cccc(C(=O)Nc3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)c2[nH]1 ZINC000548972268 941136598 /nfs/dbraw/zinc/13/65/98/941136598.db2.gz LWJQXSLNMAMWBD-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1nc2c(cccc2C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)[nH]1 ZINC000548972268 941136603 /nfs/dbraw/zinc/13/66/03/941136603.db2.gz LWJQXSLNMAMWBD-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cn1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)c2ccc(F)cc2)c(C(F)(F)F)n1 ZINC000549318420 941179599 /nfs/dbraw/zinc/17/95/99/941179599.db2.gz YWGHVYHUJSGJCA-ZDUSSCGKSA-N -1 1 407.433 4.034 20 0 HIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1-c1ccccc1 ZINC000550569178 941340166 /nfs/dbraw/zinc/34/01/66/941340166.db2.gz OHQTZPBXGHJANP-UHFFFAOYSA-N -1 1 413.833 4.441 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(Cc4cccnc4)no3)ccc2C)cc1 ZINC000551397590 941469353 /nfs/dbraw/zinc/46/93/53/941469353.db2.gz DZGYBNQDBOOMRL-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2cccc(Cl)c2)c1)c1ccccc1Cn1cncn1 ZINC000551414819 941474413 /nfs/dbraw/zinc/47/44/13/941474413.db2.gz IEEXDCFGBVOSOW-UHFFFAOYSA-N -1 1 424.913 4.448 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cccc(Br)c2Cl)cc1F ZINC000551466945 941485046 /nfs/dbraw/zinc/48/50/46/941485046.db2.gz KFJVXNVBSRGJDQ-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM O=S(=O)([N-]CCc1nc2c(s1)CCCC2)c1c(Cl)cccc1C(F)(F)F ZINC000551524413 941494534 /nfs/dbraw/zinc/49/45/34/941494534.db2.gz IVHSBSPOCRIYHH-UHFFFAOYSA-N -1 1 424.897 4.215 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccnc(OCC(F)F)c1 ZINC000552197810 941600383 /nfs/dbraw/zinc/60/03/83/941600383.db2.gz PKCOMKTZUDNTPJ-UHFFFAOYSA-N -1 1 407.598 4.099 20 0 HIADMM CCc1csc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)n1 ZINC000552483266 941683707 /nfs/dbraw/zinc/68/37/07/941683707.db2.gz AHAAPLVAVVCMMI-UHFFFAOYSA-N -1 1 423.466 4.037 20 0 HIADMM Cc1cc2cc(CNC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)ccc2[nH]1 ZINC000552738125 941748728 /nfs/dbraw/zinc/74/87/28/941748728.db2.gz NIZRFPAFKGPHMZ-UHFFFAOYSA-N -1 1 419.506 4.207 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCc3cccc(O)c32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000553314696 941866086 /nfs/dbraw/zinc/86/60/86/941866086.db2.gz UWVIUKPFISOYFJ-LJQANCHMSA-N -1 1 422.506 4.170 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3(F)CCC3)cc2)cc1C ZINC000553712519 941949485 /nfs/dbraw/zinc/94/94/85/941949485.db2.gz JHICAEGHIWPPFW-UHFFFAOYSA-N -1 1 404.507 4.116 20 0 HIADMM COC[C@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 ZINC000554047530 942025317 /nfs/dbraw/zinc/02/53/17/942025317.db2.gz GDZQRQIALNAAKJ-QFIPXVFZSA-N -1 1 414.502 4.104 20 0 HIADMM C[C@H]1CCc2c(sc3nc(CSc4nc(C(F)F)cc(=O)[n-]4)nc(N)c32)C1 ZINC000554942122 942327062 /nfs/dbraw/zinc/32/70/62/942327062.db2.gz BEJAZNKSODPXQU-ZETCQYMHSA-N -1 1 409.487 4.124 20 0 HIADMM CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000555001438 942350283 /nfs/dbraw/zinc/35/02/83/942350283.db2.gz CGNADDQZGBBVIR-UXHICEINSA-N -1 1 416.543 4.248 20 0 HIADMM O=S(=O)([N-]c1cccc(Br)c1Cl)c1cnn(-c2ccccc2)c1 ZINC000555459327 942560856 /nfs/dbraw/zinc/56/08/56/942560856.db2.gz WNTVPXRGSNFUKI-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cccc(-c4cccc(Cl)c4)c3)cc2N1 ZINC000556318883 942839996 /nfs/dbraw/zinc/83/99/96/942839996.db2.gz BYCDESACQQMGIC-UHFFFAOYSA-N -1 1 414.870 4.139 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(C2(c3ccccc3F)CCCC2)no1 ZINC000556328991 942842370 /nfs/dbraw/zinc/84/23/70/942842370.db2.gz XSNPIENLTZHXJC-ZDUSSCGKSA-N -1 1 421.519 4.170 20 0 HIADMM CCOc1ccc(OCC(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000556847556 942938842 /nfs/dbraw/zinc/93/88/42/942938842.db2.gz MMUKAIAPNDFORV-UHFFFAOYSA-N -1 1 400.656 4.224 20 0 HIADMM CCc1[nH]c(C(=O)Nc2c([O-])cc(Br)cc2Cl)c(C)c1C(=O)OC ZINC000556851796 942939782 /nfs/dbraw/zinc/93/97/82/942939782.db2.gz YQVSXJWAMGTBMZ-UHFFFAOYSA-N -1 1 415.671 4.046 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000557692268 943260263 /nfs/dbraw/zinc/26/02/63/943260263.db2.gz VQRNMLOUVKEOOJ-QHCPKHFHSA-N -1 1 424.497 4.198 20 0 HIADMM O=S(=O)([N-]Cc1noc(-c2cccs2)n1)c1c(Cl)cc(Cl)cc1Cl ZINC000557876175 943318212 /nfs/dbraw/zinc/31/82/12/943318212.db2.gz LBIIVDFQOBNFRR-UHFFFAOYSA-N -1 1 424.718 4.237 20 0 HIADMM O=S(=O)([N-]c1ccccc1Br)c1c(F)cccc1OC(F)(F)F ZINC000558037673 943363945 /nfs/dbraw/zinc/36/39/45/943363945.db2.gz HWGMPIPCSFYJMP-UHFFFAOYSA-N -1 1 414.174 4.288 20 0 HIADMM COCCOc1c(Cl)cc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1Cl ZINC000558037619 943364004 /nfs/dbraw/zinc/36/40/04/943364004.db2.gz FWERWEXLQXNMQM-UHFFFAOYSA-N -1 1 404.315 4.436 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)ccc1C(F)(F)F ZINC000558587202 943609872 /nfs/dbraw/zinc/60/98/72/943609872.db2.gz XSSBYHBXOIHTSN-UHFFFAOYSA-N -1 1 415.437 4.217 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000558735290 943635404 /nfs/dbraw/zinc/63/54/04/943635404.db2.gz LGODMEZZAMAZDT-UHFFFAOYSA-N -1 1 404.857 4.400 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000558757861 943648437 /nfs/dbraw/zinc/64/84/37/943648437.db2.gz BDPODDJHKPAFRR-UHFFFAOYSA-N -1 1 400.837 4.417 20 0 HIADMM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Cl)c(F)c3Cl)cccc21 ZINC000559961469 944100697 /nfs/dbraw/zinc/10/06/97/944100697.db2.gz ZBWLZZAFHRLSAQ-ZDUSSCGKSA-N -1 1 419.305 4.319 20 0 HIADMM COc1cc2c(c(CN[C@H](CC(=O)[O-])c3cccc(C(F)(F)F)c3)c1)O[C@@H](C)C2 ZINC000559981571 944108933 /nfs/dbraw/zinc/10/89/33/944108933.db2.gz QAIAQCSLQFFPHH-KPZWWZAWSA-N -1 1 409.404 4.343 20 0 HIADMM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000559995646 944117158 /nfs/dbraw/zinc/11/71/58/944117158.db2.gz RPZPCOMMZUNGRY-UHFFFAOYSA-N -1 1 401.797 4.118 20 0 HIADMM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000559995646 944117166 /nfs/dbraw/zinc/11/71/66/944117166.db2.gz RPZPCOMMZUNGRY-UHFFFAOYSA-N -1 1 401.797 4.118 20 0 HIADMM C[C@H]1CC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000560805730 944338613 /nfs/dbraw/zinc/33/86/13/944338613.db2.gz NUWWZEIVVNHAQT-SJCJKPOMSA-N -1 1 412.433 4.035 20 0 HIADMM CCOc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc(Cl)c1[O-] ZINC000561180214 944502690 /nfs/dbraw/zinc/50/26/90/944502690.db2.gz MJUJUGHLSPPZIA-ZHALLVOQSA-N -1 1 401.890 4.089 20 0 HIADMM CCCCN(Cc1ccccc1Cl)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000561408894 944584229 /nfs/dbraw/zinc/58/42/29/944584229.db2.gz CBGWCZJZWLHHQV-UHFFFAOYSA-N -1 1 400.910 4.077 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000561582512 944688666 /nfs/dbraw/zinc/68/86/66/944688666.db2.gz QEIUSPJOFZQHOX-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM O=S(=O)([N-]c1cc(-c2ccccc2)n[nH]1)c1cccc(Cl)c1Br ZINC000561758943 944783988 /nfs/dbraw/zinc/78/39/88/944783988.db2.gz ZIQDEYOSTMOBTC-UHFFFAOYSA-N -1 1 412.696 4.293 20 0 HIADMM O=C(Nc1cc(F)cc(F)c1F)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000562041456 944906970 /nfs/dbraw/zinc/90/69/70/944906970.db2.gz AXDIASZGIIBFQH-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000562042949 944908267 /nfs/dbraw/zinc/90/82/67/944908267.db2.gz DQMGXNYWGWLFRK-SNVBAGLBSA-N -1 1 414.503 4.423 20 0 HIADMM CC(C)COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000562200551 945016913 /nfs/dbraw/zinc/01/69/13/945016913.db2.gz GSTGXWPXIKEXFD-UHFFFAOYSA-N -1 1 419.503 4.108 20 0 HIADMM O=C(Nc1cccc(F)c1)c1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000562220415 945027484 /nfs/dbraw/zinc/02/74/84/945027484.db2.gz MEGQEAYZAKPKGZ-UHFFFAOYSA-N -1 1 421.453 4.427 20 0 HIADMM CO[C@](C)(c1noc(-c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1)C1CC1 ZINC000564451747 945598492 /nfs/dbraw/zinc/59/84/92/945598492.db2.gz BJWRBANISMJCNK-NRFANRHFSA-N -1 1 413.499 4.117 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](CC3CC3)C2)c1 ZINC000564679187 945725907 /nfs/dbraw/zinc/72/59/07/945725907.db2.gz KQAOEAQIXOIALE-LJQANCHMSA-N -1 1 412.555 4.366 20 0 HIADMM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)c([O-])c1 ZINC000565310898 945806656 /nfs/dbraw/zinc/80/66/56/945806656.db2.gz NLZIZZFQNXXXQY-ZBFHGGJFSA-N -1 1 414.658 4.207 20 0 HIADMM O=C(c1c(F)ccc([O-])c1F)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000566588699 946050906 /nfs/dbraw/zinc/05/09/06/946050906.db2.gz SZXKDVLJALDUFI-UHFFFAOYSA-N -1 1 401.240 4.330 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)c1 ZINC000567305713 946305082 /nfs/dbraw/zinc/30/50/82/946305082.db2.gz YWAZVVXODJETKJ-UHFFFAOYSA-N -1 1 413.543 4.190 20 0 HIADMM COC(=O)c1cccc(-c2nc(CSc3nc(C(F)F)cc(=O)[n-]3)cs2)c1 ZINC000567314375 946308817 /nfs/dbraw/zinc/30/88/17/946308817.db2.gz HRIJZHFFPRBBQH-UHFFFAOYSA-N -1 1 409.439 4.322 20 0 HIADMM Cc1nc(-c2noc(-c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)n2)co1 ZINC000567397570 946324588 /nfs/dbraw/zinc/32/45/88/946324588.db2.gz JRHSLVSAWLHOCF-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM CCOc1cc(C(=O)NC[C@H](NCc2ccccc2)c2ccco2)cc(Cl)c1[O-] ZINC000568666089 946642643 /nfs/dbraw/zinc/64/26/43/946642643.db2.gz MFWARXVGPZQZPK-SFHVURJKSA-N -1 1 414.889 4.298 20 0 HIADMM CC[C@H]1CC[C@@H](C)N1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000568675109 946647762 /nfs/dbraw/zinc/64/77/62/946647762.db2.gz RBCRCZZFYCMBBE-BEFAXECRSA-N -1 1 419.522 4.099 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000568925990 946762274 /nfs/dbraw/zinc/76/22/74/946762274.db2.gz LZVHAQUAEHTEFD-UHFFFAOYSA-N -1 1 420.840 4.252 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000569041006 946805368 /nfs/dbraw/zinc/80/53/68/946805368.db2.gz MEEKNYSIKXPDQQ-HXUWFJFHSA-N -1 1 401.488 4.117 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)c1 ZINC000569178407 946833664 /nfs/dbraw/zinc/83/36/64/946833664.db2.gz VNYIPHZNTCBBOC-UHFFFAOYSA-N -1 1 419.890 4.178 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1Cl ZINC000570720593 947333406 /nfs/dbraw/zinc/33/34/06/947333406.db2.gz LKAIPWIEDDBBCS-UHFFFAOYSA-N -1 1 424.950 4.248 20 0 HIADMM COc1cc(C)ccc1OCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000570992042 947416406 /nfs/dbraw/zinc/41/64/06/947416406.db2.gz CEVVDACWKMBADI-UHFFFAOYSA-N -1 1 400.656 4.143 20 0 HIADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000571314079 947590733 /nfs/dbraw/zinc/59/07/33/947590733.db2.gz DNVALXROWFXOQP-LJQANCHMSA-N -1 1 422.506 4.244 20 0 HIADMM COc1cccc(CN(C)C(=O)c2ncc(C)cc2[O-])c1OCc1ccccc1F ZINC000571346606 947609566 /nfs/dbraw/zinc/60/95/66/947609566.db2.gz HSOIUKSPZHVOEL-UHFFFAOYSA-N -1 1 410.445 4.095 20 0 HIADMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000573306839 948154168 /nfs/dbraw/zinc/15/41/68/948154168.db2.gz QCRWKSFNNLZBSB-UHFFFAOYSA-N -1 1 419.446 4.161 20 0 HIADMM CCOC(=O)c1c(C)c2ccccc2nc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000573368704 948171398 /nfs/dbraw/zinc/17/13/98/948171398.db2.gz FTOSSPFDEPISFW-UHFFFAOYSA-N -1 1 405.426 4.445 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc(Cl)c1[O-] ZINC000574247691 948399131 /nfs/dbraw/zinc/39/91/31/948399131.db2.gz JBMZJFTWGJPLSA-MRXNPFEDSA-N -1 1 416.865 4.016 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1C[C@@H]2CCCN2c2ccccc21 ZINC000574459409 948447264 /nfs/dbraw/zinc/44/72/64/948447264.db2.gz PZITUHZDZXRVTK-ZDUSSCGKSA-N -1 1 424.298 4.332 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1C[C@H]2CCCN2c2ccccc21 ZINC000574459404 948447473 /nfs/dbraw/zinc/44/74/73/948447473.db2.gz PZITUHZDZXRVTK-CYBMUJFWSA-N -1 1 424.298 4.332 20 0 HIADMM CC(C)[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCS1 ZINC000575373064 948661014 /nfs/dbraw/zinc/66/10/14/948661014.db2.gz ARZRVMFEESPHHD-IBGZPJMESA-N -1 1 419.572 4.093 20 0 HIADMM COc1ccc(-c2ocnc2C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)cc1 ZINC000575950036 948798318 /nfs/dbraw/zinc/79/83/18/948798318.db2.gz QIFDYZSMROQABO-UHFFFAOYSA-N -1 1 406.467 4.738 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3CCC(F)(F)C3)cc2)c1 ZINC000435962684 861224198 /nfs/dbraw/zinc/22/41/98/861224198.db2.gz XPTXNGADIYUFAH-INIZCTEOSA-N -1 1 422.497 4.269 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1Br ZINC000436019878 861311512 /nfs/dbraw/zinc/31/15/12/861311512.db2.gz XQSVYFADNDVCMP-UHFFFAOYSA-N -1 1 419.247 4.146 20 0 HIADMM CC(C)[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccnc1 ZINC000436088249 861366295 /nfs/dbraw/zinc/36/62/95/861366295.db2.gz KWCGQPTWUVKSKY-NRFANRHFSA-N -1 1 409.511 4.261 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(C(C)(F)F)c3)c3cccc(c23)C1=O ZINC000436165793 861466801 /nfs/dbraw/zinc/46/68/01/861466801.db2.gz ZCSWJFVJANBSFH-UHFFFAOYSA-N -1 1 402.422 4.342 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)n1 ZINC000436184991 861486452 /nfs/dbraw/zinc/48/64/52/861486452.db2.gz FAECABOWVVDCSK-HNNXBMFYSA-N -1 1 422.348 4.103 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000436204542 861504420 /nfs/dbraw/zinc/50/44/20/861504420.db2.gz ASSRZDWNPFHZAZ-HXUWFJFHSA-N -1 1 405.523 4.011 20 0 HIADMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1Cl ZINC000005063859 845080128 /nfs/dbraw/zinc/08/01/28/845080128.db2.gz PIAMJFYQOWIWPI-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3C)cc2)c1 ZINC000007109187 845254544 /nfs/dbraw/zinc/25/45/44/845254544.db2.gz GXSUOJRMOONXNJ-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM O=C(COc1ccc(Cl)c2ccccc12)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007626591 845376724 /nfs/dbraw/zinc/37/67/24/845376724.db2.gz OCBMHEIEZKCRIX-UHFFFAOYSA-N -1 1 410.809 4.427 20 0 HIADMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000007850158 845430202 /nfs/dbraw/zinc/43/02/02/845430202.db2.gz FMFFVNQCPBKNHP-IBGZPJMESA-N -1 1 409.511 4.291 20 0 HIADMM COc1ccc(C)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000008033359 845464099 /nfs/dbraw/zinc/46/40/99/845464099.db2.gz TUQGBDACINYZRE-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CCc1cc2c(COC(=O)CCCOc3ccc(C(C)=O)cc3)cc(=O)oc2cc1[O-] ZINC000009055029 845557864 /nfs/dbraw/zinc/55/78/64/845557864.db2.gz HLRWRRKNNVUTMN-UHFFFAOYSA-N -1 1 424.449 4.166 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1ccccc1 ZINC000009896622 845600858 /nfs/dbraw/zinc/60/08/58/845600858.db2.gz VQPCVKBNVUZIOO-QFIPXVFZSA-N -1 1 406.507 4.465 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)ccn1 ZINC000436279241 861587620 /nfs/dbraw/zinc/58/76/20/861587620.db2.gz IMXHVDWFDCVNOB-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)Cc2nc3ccccc3s2)c1 ZINC000010287804 845642048 /nfs/dbraw/zinc/64/20/48/845642048.db2.gz KLBASRCIEXULTN-UHFFFAOYSA-N -1 1 409.540 4.184 20 0 HIADMM Cc1cnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)s1 ZINC000010625309 845682680 /nfs/dbraw/zinc/68/26/80/845682680.db2.gz OSSVHNQBIJUPSP-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM CCCn1c2ccccc2nc1NC(=O)Cn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000010652853 845686859 /nfs/dbraw/zinc/68/68/59/845686859.db2.gz FPXXTJALOBAEHF-UHFFFAOYSA-N -1 1 406.515 4.315 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000011193734 845764544 /nfs/dbraw/zinc/76/45/44/845764544.db2.gz HMEUZGGGGFDPSU-UHFFFAOYSA-N -1 1 422.554 4.244 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N3CCCC3)c(C)c2)cc1 ZINC000011326065 845779880 /nfs/dbraw/zinc/77/98/80/845779880.db2.gz YCSQPUFXZJWERB-UHFFFAOYSA-N -1 1 407.543 4.463 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(OC(F)F)cc2)c1 ZINC000011513374 845806957 /nfs/dbraw/zinc/80/69/57/845806957.db2.gz HPNFMOMGISFWDP-UHFFFAOYSA-N -1 1 418.469 4.224 20 0 HIADMM CC(=O)CCc1ccc2oc(C(=O)[N-]NC(=O)CSc3ccc(C)cc3)c(C)c2c1 ZINC000012672417 845882150 /nfs/dbraw/zinc/88/21/50/845882150.db2.gz JCFMLUGLGFLOTR-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCCC3)c2)cc1 ZINC000015271530 846026854 /nfs/dbraw/zinc/02/68/54/846026854.db2.gz JFDRKSGNTSTAEK-UHFFFAOYSA-N -1 1 422.934 4.166 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000015386273 846043156 /nfs/dbraw/zinc/04/31/56/846043156.db2.gz CFAFLGSSYGRVIZ-UHFFFAOYSA-N -1 1 408.523 4.376 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000015413740 846045169 /nfs/dbraw/zinc/04/51/69/846045169.db2.gz ASGJDFIPHBCJNJ-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)ccc2o1 ZINC000015539693 846060380 /nfs/dbraw/zinc/06/03/80/846060380.db2.gz RPNRJYGHGVTLLH-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)c1 ZINC000015563597 846063404 /nfs/dbraw/zinc/06/34/04/846063404.db2.gz FEGPUYXOEOWQQP-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM COc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)cc1 ZINC000015590966 846068104 /nfs/dbraw/zinc/06/81/04/846068104.db2.gz SEMAJVQOZMDDQY-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM O=C(NC1CC1)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000015587121 846068319 /nfs/dbraw/zinc/06/83/19/846068319.db2.gz SFIUNGCFRKRAQP-UHFFFAOYSA-N -1 1 418.824 4.052 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000015588816 846068350 /nfs/dbraw/zinc/06/83/50/846068350.db2.gz AUNGRTVXZIDZJF-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015592128 846069459 /nfs/dbraw/zinc/06/94/59/846069459.db2.gz SOIYULVJTXNXQP-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM O=C(CSc1ccc(Cl)cc1)N[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000015711258 846086195 /nfs/dbraw/zinc/08/61/95/846086195.db2.gz QDJGVDCQUCKTGC-UHFFFAOYSA-N -1 1 421.887 4.016 20 0 HIADMM O=S(=O)([N-]Cc1ccc(F)cc1)c1c(Cl)cc(Br)cc1Cl ZINC000016093891 846122448 /nfs/dbraw/zinc/12/24/48/846122448.db2.gz BIZPIYWGGQSRCU-UHFFFAOYSA-N -1 1 413.095 4.374 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)ccc1F ZINC000016305203 846150905 /nfs/dbraw/zinc/15/09/05/846150905.db2.gz KPSZHPKJPMBZIJ-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=S)Nc1ccc(F)cc1F ZINC000016317192 846151918 /nfs/dbraw/zinc/15/19/18/846151918.db2.gz JIVUBNMUEIIFJM-UHFFFAOYSA-N -1 1 404.467 4.028 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000016504230 846179859 /nfs/dbraw/zinc/17/98/59/846179859.db2.gz JKDSGDZLQGNWFG-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)cc1C ZINC000016597422 846188132 /nfs/dbraw/zinc/18/81/32/846188132.db2.gz FTFWVQQGTZHKFS-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(N(C)C)cc3)c2)c1 ZINC000016597397 846188501 /nfs/dbraw/zinc/18/85/01/846188501.db2.gz OBKPNWBDQMKAEL-UHFFFAOYSA-N -1 1 409.511 4.114 20 0 HIADMM CCc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000016640173 846193239 /nfs/dbraw/zinc/19/32/39/846193239.db2.gz UGBPBJAIUMUQQC-UHFFFAOYSA-N -1 1 412.486 4.370 20 0 HIADMM C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)C1 ZINC000016642321 846193939 /nfs/dbraw/zinc/19/39/39/846193939.db2.gz AHBWFSCZYNBNHC-CYBMUJFWSA-N -1 1 410.898 4.152 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000017334689 846247400 /nfs/dbraw/zinc/24/74/00/846247400.db2.gz MNBSRDOBWDQQNQ-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)cc2)cc1C ZINC000017357690 846250919 /nfs/dbraw/zinc/25/09/19/846250919.db2.gz PDIAFKHYCUUGOP-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000018016527 846284353 /nfs/dbraw/zinc/28/43/53/846284353.db2.gz MRHQRJAXWJHSEY-GFCCVEGCSA-N -1 1 418.469 4.162 20 0 HIADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000018016674 846284746 /nfs/dbraw/zinc/28/47/46/846284746.db2.gz GAXYRAPEFZUORT-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3CCC(C)CC3)c2)cc1 ZINC000018147676 846303519 /nfs/dbraw/zinc/30/35/19/846303519.db2.gz PSOJBCDGKZVZRD-UHFFFAOYSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CC[C@H]3C)cc2)c1C ZINC000436348658 861665798 /nfs/dbraw/zinc/66/57/98/861665798.db2.gz AKRKMDYXOYVRCW-DOTOQJQBSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccc3C)c2)c1 ZINC000018834003 846344632 /nfs/dbraw/zinc/34/46/32/846344632.db2.gz LCRGFKXOWJOVQI-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM C[C@H](OC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000018993251 846351331 /nfs/dbraw/zinc/35/13/31/846351331.db2.gz CCRJEHSEPIQASD-INIZCTEOSA-N -1 1 413.470 4.473 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Cl)nc1 ZINC000020502994 846385635 /nfs/dbraw/zinc/38/56/35/846385635.db2.gz HWFYKRPQIADKPQ-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM O=C(CCc1cccnc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000020895675 846393598 /nfs/dbraw/zinc/39/35/98/846393598.db2.gz PEWUSHVIZZPBET-UHFFFAOYSA-N -1 1 415.902 4.107 20 0 HIADMM O=C(Nc1ccccn1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000021894084 846506865 /nfs/dbraw/zinc/50/68/65/846506865.db2.gz BWMGCSVBRDDUDW-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM O=C(CCC(=O)c1ccccc1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000022025950 846522797 /nfs/dbraw/zinc/52/27/97/846522797.db2.gz FNRYQXPVQGDUHY-UHFFFAOYSA-N -1 1 418.474 4.358 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)c2)cc1 ZINC000436362662 861694029 /nfs/dbraw/zinc/69/40/29/861694029.db2.gz IRECHWNSHAYQEF-IRXDYDNUSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1noc(C(C)C)c1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000023032235 846650333 /nfs/dbraw/zinc/65/03/33/846650333.db2.gz DBLAOTUOITUHND-UHFFFAOYSA-N -1 1 409.467 4.428 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)c2)cc1 ZINC000436371920 861712270 /nfs/dbraw/zinc/71/22/70/861712270.db2.gz UISYHCDHCAXNLF-IRXDYDNUSA-N -1 1 416.543 4.147 20 0 HIADMM CCc1ccccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000023623738 846731806 /nfs/dbraw/zinc/73/18/06/846731806.db2.gz ISBDWKDXOTWSCA-UHFFFAOYSA-N -1 1 412.486 4.370 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)s2)cc1 ZINC000023643968 846735117 /nfs/dbraw/zinc/73/51/17/846735117.db2.gz GEYYZBZGOYXIPF-UHFFFAOYSA-N -1 1 422.963 4.380 20 0 HIADMM Cc1ccc(C(=O)N(C)Cc2ccco2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000023978775 846766660 /nfs/dbraw/zinc/76/66/60/846766660.db2.gz RQHQXTYVEIQZQH-UHFFFAOYSA-N -1 1 418.902 4.314 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(-n3cccn3)cc2)cc1 ZINC000024711309 846857226 /nfs/dbraw/zinc/85/72/26/846857226.db2.gz JIOHCCDFSSKFAI-UHFFFAOYSA-N -1 1 404.499 4.131 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(N2CCCCC2=O)c1 ZINC000024957033 846895898 /nfs/dbraw/zinc/89/58/98/846895898.db2.gz XFQPWROJWOVZCM-UHFFFAOYSA-N -1 1 423.332 4.075 20 0 HIADMM O=C([N-]c1ccccc1SC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000025267872 846951394 /nfs/dbraw/zinc/95/13/94/846951394.db2.gz DMKSJBIZAAHSHW-UHFFFAOYSA-N -1 1 420.556 4.351 20 0 HIADMM COCc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000025335303 846963022 /nfs/dbraw/zinc/96/30/22/846963022.db2.gz FITRYSNYRPJEBU-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)NC2CCC(c3ccccc3)CC2)cc1 ZINC000025646957 847013727 /nfs/dbraw/zinc/01/37/27/847013727.db2.gz UMAOITAOFLZLLE-UHFFFAOYSA-N -1 1 422.554 4.459 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000025741238 847029516 /nfs/dbraw/zinc/02/95/16/847029516.db2.gz APVFRDJAUQFZSB-UHFFFAOYSA-N -1 1 400.422 4.491 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)Cc3ccccc3Cl)n2)n[n-]c1=S ZINC000026042879 847075900 /nfs/dbraw/zinc/07/59/00/847075900.db2.gz OXUJFYIIJHXQOV-UHFFFAOYSA-N -1 1 405.936 4.009 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc4c[nH]nc43)cc2)cc1C ZINC000026872041 847211605 /nfs/dbraw/zinc/21/16/05/847211605.db2.gz MQBUIXICLVTHKR-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2o1 ZINC000027012943 847234551 /nfs/dbraw/zinc/23/45/51/847234551.db2.gz PBQOJMVEFDAWKW-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM C[C@@H](c1nnc(SCC(=O)c2ccc([O-])cc2)n1-c1ccccc1)N1CCCCC1 ZINC000027084672 847246531 /nfs/dbraw/zinc/24/65/31/847246531.db2.gz IUPSVCNMXKYLGH-KRWDZBQOSA-N -1 1 422.554 4.495 20 0 HIADMM CC[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000027338778 847284999 /nfs/dbraw/zinc/28/49/99/847284999.db2.gz XHZJQCIRWAWGMP-LBPRGKRZSA-N -1 1 415.342 4.251 20 0 HIADMM O=C(OCc1cccc(F)c1F)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000027434674 847302329 /nfs/dbraw/zinc/30/23/29/847302329.db2.gz ZCIKTMOWVFETIX-UHFFFAOYSA-N -1 1 403.406 4.123 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000027666974 847333638 /nfs/dbraw/zinc/33/36/38/847333638.db2.gz DXQNJROIBKTVOO-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000027706812 847342727 /nfs/dbraw/zinc/34/27/27/847342727.db2.gz HRRNWUNXILTQEG-IIBYNOLFSA-N -1 1 416.543 4.195 20 0 HIADMM CCCN(CCC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000028492033 847426456 /nfs/dbraw/zinc/42/64/56/847426456.db2.gz QWMCYHKQASLVRJ-UHFFFAOYSA-N -1 1 404.532 4.148 20 0 HIADMM O=C(Cc1ccccc1F)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000028492401 847427680 /nfs/dbraw/zinc/42/76/80/847427680.db2.gz JEZMHWOSASKYCA-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM O=C1CSc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2N1 ZINC000028810134 847463667 /nfs/dbraw/zinc/46/36/67/847463667.db2.gz LNHCMUFCSYNRIH-UHFFFAOYSA-N -1 1 422.837 4.204 20 0 HIADMM CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1 ZINC000029021320 847494531 /nfs/dbraw/zinc/49/45/31/847494531.db2.gz WCUHUDGMAASWPL-QFIPXVFZSA-N -1 1 423.538 4.400 20 0 HIADMM COCc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000029143988 847513604 /nfs/dbraw/zinc/51/36/04/847513604.db2.gz JTOCFMNJXZKOKH-UHFFFAOYSA-N -1 1 410.495 4.195 20 0 HIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(COc2ccc(F)cc2)n1 ZINC000029284821 847539856 /nfs/dbraw/zinc/53/98/56/847539856.db2.gz FHBCQVVHRSGLNX-UHFFFAOYSA-N -1 1 404.370 4.368 20 0 HIADMM CN(CC1CCCCC1)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000029289904 847540551 /nfs/dbraw/zinc/54/05/51/847540551.db2.gz XZJLXOFUBLAYBT-UHFFFAOYSA-N -1 1 418.534 4.208 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc4n3CCCCC4)c2)c(C)s1 ZINC000029328134 847545741 /nfs/dbraw/zinc/54/57/41/847545741.db2.gz QSDBSKSDRMCUBZ-UHFFFAOYSA-N -1 1 420.535 4.290 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(=O)[n-]1 ZINC000029344026 847548875 /nfs/dbraw/zinc/54/88/75/847548875.db2.gz DLLAUAMSXFXTMT-FQEVSTJZSA-N -1 1 418.522 4.439 20 0 HIADMM O=C(COc1ccc(C2SCCCS2)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389086 847557879 /nfs/dbraw/zinc/55/78/79/847557879.db2.gz UGHNVUSFAUGMNT-UHFFFAOYSA-N -1 1 404.439 4.359 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3coc(C)n3)cc2)cc1OCC ZINC000029433438 847563449 /nfs/dbraw/zinc/56/34/49/847563449.db2.gz LURRXAZLNLGAOV-UHFFFAOYSA-N -1 1 402.472 4.248 20 0 HIADMM CCCCC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000029431740 847563968 /nfs/dbraw/zinc/56/39/68/847563968.db2.gz DDVWARGXZBAFJP-CQSZACIVSA-N -1 1 410.486 4.464 20 0 HIADMM Cc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)o1 ZINC000029470329 847566982 /nfs/dbraw/zinc/56/69/82/847566982.db2.gz NZCPQOPCCVFIPI-UHFFFAOYSA-N -1 1 418.902 4.015 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)o1 ZINC000029505874 847571273 /nfs/dbraw/zinc/57/12/73/847571273.db2.gz HHWPHQHYBLHKST-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1ccccc1F ZINC000029697226 847602346 /nfs/dbraw/zinc/60/23/46/847602346.db2.gz CMFQHNXFHMIDJQ-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3oc(C)nc3c2)cc1 ZINC000029796187 847621361 /nfs/dbraw/zinc/62/13/61/847621361.db2.gz PBWISAZBVIUXGP-UHFFFAOYSA-N -1 1 423.498 4.485 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(=O)[n-]1 ZINC000029805904 847622659 /nfs/dbraw/zinc/62/26/59/847622659.db2.gz IWRNVKQGFINAPQ-UHFFFAOYSA-N -1 1 419.510 4.099 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000029816902 847624823 /nfs/dbraw/zinc/62/48/23/847624823.db2.gz FMQAQKFHYZXCIB-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccs3)ccc2C)c1 ZINC000029854240 847634163 /nfs/dbraw/zinc/63/41/63/847634163.db2.gz SAGZPIIVKCXKCL-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CC3(Cl)Cl)ccc2C)c1 ZINC000029897375 847643991 /nfs/dbraw/zinc/64/39/91/847643991.db2.gz FREDTKNSNOJJSJ-HNNXBMFYSA-N -1 1 413.326 4.237 20 0 HIADMM CCOc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000030011931 847670321 /nfs/dbraw/zinc/67/03/21/847670321.db2.gz HZTDRHQYJGHQGA-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)C3)cc2)cc1 ZINC000030016636 847671567 /nfs/dbraw/zinc/67/15/67/847671567.db2.gz PHNFEKBCZCZBEZ-VQIMIIECSA-N -1 1 416.543 4.195 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000030161213 847684729 /nfs/dbraw/zinc/68/47/29/847684729.db2.gz XCIOQQLKRUDBRX-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(CC)CC)c(Cl)c2)cc1 ZINC000436476391 861818830 /nfs/dbraw/zinc/81/88/30/861818830.db2.gz FHHITBMCCLZHFL-UHFFFAOYSA-N -1 1 422.934 4.031 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c2)cc1 ZINC000030424364 847713564 /nfs/dbraw/zinc/71/35/64/847713564.db2.gz KCRZZGYAJMACQS-INIZCTEOSA-N -1 1 418.559 4.393 20 0 HIADMM O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000031040855 847813152 /nfs/dbraw/zinc/81/31/52/847813152.db2.gz XYBGQTFKGKUKET-QFIPXVFZSA-N -1 1 406.507 4.369 20 0 HIADMM COc1ccc2ccccc2c1CNC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000031188807 847838865 /nfs/dbraw/zinc/83/88/65/847838865.db2.gz KMIAHTRKTLKNIU-UHFFFAOYSA-N -1 1 418.522 4.394 20 0 HIADMM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000436534690 861839031 /nfs/dbraw/zinc/83/90/31/861839031.db2.gz LUPXRIFUHPKNGZ-CYBMUJFWSA-N -1 1 419.909 4.419 20 0 HIADMM COc1cc(C)ccc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436536355 861840579 /nfs/dbraw/zinc/84/05/79/861840579.db2.gz BEWZNELTRNGNFK-UHFFFAOYSA-N -1 1 412.392 4.492 20 0 HIADMM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000031561971 847907669 /nfs/dbraw/zinc/90/76/69/847907669.db2.gz HDPOGFOYZCHLHK-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 ZINC000031588297 847913090 /nfs/dbraw/zinc/91/30/90/847913090.db2.gz HRZXOMCILSDJED-UHFFFAOYSA-N -1 1 404.499 4.335 20 0 HIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000436544224 861844588 /nfs/dbraw/zinc/84/45/88/861844588.db2.gz OEGFZAUZAZYHFB-CYBMUJFWSA-N -1 1 401.825 4.255 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC000031680660 847927385 /nfs/dbraw/zinc/92/73/85/847927385.db2.gz ISGGUSKZKIQMOK-MRXNPFEDSA-N -1 1 404.507 4.197 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000436550572 861847709 /nfs/dbraw/zinc/84/77/09/861847709.db2.gz JHAUKHIJHHTBLL-UHFFFAOYSA-N -1 1 400.276 4.051 20 0 HIADMM COc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccccc2[O-])ccc1OC ZINC000436548429 861846803 /nfs/dbraw/zinc/84/68/03/861846803.db2.gz MOAXYRYDWYBZRU-UHFFFAOYSA-N -1 1 407.426 4.306 20 0 HIADMM Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3cc4ccccc4cc3[O-])no2)cn1 ZINC000436557212 861850519 /nfs/dbraw/zinc/85/05/19/861850519.db2.gz MXUGVOUHQQXEEE-IBGZPJMESA-N -1 1 417.469 4.086 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3ccccc3cc2[O-])c(C)c1 ZINC000436569509 861855317 /nfs/dbraw/zinc/85/53/17/861855317.db2.gz FLFNKHSAEZLMGQ-FQEVSTJZSA-N -1 1 406.507 4.316 20 0 HIADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000032056021 847983332 /nfs/dbraw/zinc/98/33/32/847983332.db2.gz GRMLGSMYNKCPJA-UHFFFAOYSA-N -1 1 420.469 4.235 20 0 HIADMM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000032089001 847986861 /nfs/dbraw/zinc/98/68/61/847986861.db2.gz QEYGHURZPUPSNZ-UHFFFAOYSA-N -1 1 415.342 4.205 20 0 HIADMM CCCc1cc(=O)[n-]c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)n1 ZINC000032322893 848004128 /nfs/dbraw/zinc/00/41/28/848004128.db2.gz ZAXXWFPZVXMTJA-INIZCTEOSA-N -1 1 413.465 4.497 20 0 HIADMM O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436565109 861854198 /nfs/dbraw/zinc/85/41/98/861854198.db2.gz RPFJUPUNWJIVKM-UHFFFAOYSA-N -1 1 409.873 4.085 20 0 HIADMM CC(C)c1ccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c([O-])c1 ZINC000436569051 861855101 /nfs/dbraw/zinc/85/51/01/861855101.db2.gz ZEMMDSNUPGUBKV-UHFFFAOYSA-N -1 1 404.470 4.485 20 0 HIADMM CCN(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000032370140 848014665 /nfs/dbraw/zinc/01/46/65/848014665.db2.gz PCVOAXXVUITZHQ-UHFFFAOYSA-N -1 1 412.486 4.222 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@H]2C2CCC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436571000 861855937 /nfs/dbraw/zinc/85/59/37/861855937.db2.gz ULIFYOJIKVMYSB-IBGZPJMESA-N -1 1 400.425 4.327 20 0 HIADMM O=C(Nc1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436577683 861857530 /nfs/dbraw/zinc/85/75/30/861857530.db2.gz OXYGXAMXWSOMNS-ZIAGYGMSSA-N -1 1 400.425 4.185 20 0 HIADMM Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC000436577730 861857895 /nfs/dbraw/zinc/85/78/95/861857895.db2.gz PFJGWDVEWKULAX-UHFFFAOYSA-N -1 1 402.494 4.022 20 0 HIADMM CSCCN(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436584516 861859420 /nfs/dbraw/zinc/85/94/20/861859420.db2.gz NICKVFWNVYOLFH-UHFFFAOYSA-N -1 1 413.326 4.386 20 0 HIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000032590326 848051195 /nfs/dbraw/zinc/05/11/95/848051195.db2.gz JCVPPKLHOUHKIW-UHFFFAOYSA-N -1 1 401.463 4.159 20 0 HIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1)C(C)=O ZINC000032599249 848052537 /nfs/dbraw/zinc/05/25/37/848052537.db2.gz HFJRJGSRRKFOQN-UHFFFAOYSA-N -1 1 401.315 4.163 20 0 HIADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000032629191 848055414 /nfs/dbraw/zinc/05/54/14/848055414.db2.gz BBKRGXPBWUTKIQ-UHFFFAOYSA-N -1 1 416.543 4.050 20 0 HIADMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000032631257 848056856 /nfs/dbraw/zinc/05/68/56/848056856.db2.gz MIEKRHKEOILFEW-FQEVSTJZSA-N -1 1 407.451 4.360 20 0 HIADMM O=C(Nc1nc(C2CC2)cs1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436600355 861863964 /nfs/dbraw/zinc/86/39/64/861863964.db2.gz GYOOQKAQGRLBBH-GOSISDBHSA-N -1 1 407.495 4.123 20 0 HIADMM O=C(NCCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436603906 861865731 /nfs/dbraw/zinc/86/57/31/861865731.db2.gz NEDPAPZRPHIHSR-NRFANRHFSA-N -1 1 422.912 4.162 20 0 HIADMM COc1cc(NC(=O)c2cc3c(s2)CCCCCC3)ccc1[N-]S(C)(=O)=O ZINC000033069764 848104927 /nfs/dbraw/zinc/10/49/27/848104927.db2.gz OESBHIOVDUZXHZ-UHFFFAOYSA-N -1 1 408.545 4.040 20 0 HIADMM COc1cc(NC(=O)CSc2ccc(C(C)(C)C)cc2)ccc1[N-]S(C)(=O)=O ZINC000033070101 848105130 /nfs/dbraw/zinc/10/51/30/848105130.db2.gz TWUJUNHJHOEWEJ-UHFFFAOYSA-N -1 1 422.572 4.095 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)Cc2ccco2)c1 ZINC000033208749 848125102 /nfs/dbraw/zinc/12/51/02/848125102.db2.gz QCPCDHUYLHNMTR-KRWDZBQOSA-N -1 1 412.511 4.058 20 0 HIADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccc(F)cc1F ZINC000436608363 861868551 /nfs/dbraw/zinc/86/85/51/861868551.db2.gz UEHPTZVLUASOLV-QKKBWIMNSA-N -1 1 424.447 4.306 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3c3cccnc3)c2)c1 ZINC000033238362 848131688 /nfs/dbraw/zinc/13/16/88/848131688.db2.gz WAPZZZXACFDJLV-JOCHJYFZSA-N -1 1 421.522 4.168 20 0 HIADMM COc1cccc(COc2cccc(NC(=O)c3cc(NC(C)=O)ccc3[O-])c2C)c1 ZINC000436612135 861869273 /nfs/dbraw/zinc/86/92/73/861869273.db2.gz POXPHLITHWHAKR-UHFFFAOYSA-N -1 1 420.465 4.499 20 0 HIADMM O=C(Nc1cc(C2CC2)ccn1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436618259 861871819 /nfs/dbraw/zinc/87/18/19/861871819.db2.gz QZOFGQUVJXHZRF-FQEVSTJZSA-N -1 1 401.466 4.061 20 0 HIADMM O=C(Nc1ccc(C(=O)NCc2ccco2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436617867 861871921 /nfs/dbraw/zinc/87/19/21/861871921.db2.gz PFCVEJICKWPQIU-UHFFFAOYSA-N -1 1 405.237 4.474 20 0 HIADMM CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436619748 861872583 /nfs/dbraw/zinc/87/25/83/861872583.db2.gz XRNXTLZMRPRUAY-UHFFFAOYSA-N -1 1 413.905 4.374 20 0 HIADMM COc1ccc(NC(=S)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000036845571 848168828 /nfs/dbraw/zinc/16/88/28/848168828.db2.gz FFENFKQIAUYQQB-UHFFFAOYSA-N -1 1 413.524 4.305 20 0 HIADMM COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)C(=O)c3ccc([O-])cc3)C2)n1 ZINC000436636991 861877635 /nfs/dbraw/zinc/87/76/35/861877635.db2.gz UCFNCMKECSAUMF-MRXNPFEDSA-N -1 1 422.506 4.113 20 0 HIADMM CSc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cc2s1 ZINC000041616395 848236802 /nfs/dbraw/zinc/23/68/02/848236802.db2.gz XWJNADAZYAMMHZ-UHFFFAOYSA-N -1 1 419.553 4.094 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c(=O)[n-]1 ZINC000041895736 848263243 /nfs/dbraw/zinc/26/32/43/848263243.db2.gz XTDTUWDUPXXXBJ-SJKOYZFVSA-N -1 1 401.532 4.053 20 0 HIADMM CCCN(CC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000041958835 848268767 /nfs/dbraw/zinc/26/87/67/848268767.db2.gz PROKUCWQIJKQRG-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3ccc4ccccc4c3[O-])c2)C1=O ZINC000436661008 861886136 /nfs/dbraw/zinc/88/61/36/861886136.db2.gz DZPGNYQHUFRXAL-DEOSSOPVSA-N -1 1 415.449 4.023 20 0 HIADMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])c1nc2ccccc2n1C(F)F ZINC000436665451 861887376 /nfs/dbraw/zinc/88/73/76/861887376.db2.gz OFCZMRSXYBBPFC-VIFPVBQESA-N -1 1 410.218 4.391 20 0 HIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)n1 ZINC000042143633 848291717 /nfs/dbraw/zinc/29/17/17/848291717.db2.gz YTGKHJLXYXGOHN-HNNXBMFYSA-N -1 1 411.531 4.057 20 0 HIADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(I)ccc1[O-] ZINC000436668188 861888230 /nfs/dbraw/zinc/88/82/30/861888230.db2.gz AJJYJHAZYOATCB-HNNXBMFYSA-N -1 1 410.255 4.005 20 0 HIADMM CC1=CCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])CC1 ZINC000436685354 861893427 /nfs/dbraw/zinc/89/34/27/861893427.db2.gz BLJHGNFZKNQQGD-UHFFFAOYSA-N -1 1 415.287 4.199 20 0 HIADMM COc1cc(Cl)c(C)cc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043349266 848412883 /nfs/dbraw/zinc/41/28/83/848412883.db2.gz XEFMPCJAKNXBID-UHFFFAOYSA-N -1 1 402.878 4.489 20 0 HIADMM O=C(NC[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1)Nc1cccc(F)c1 ZINC000436720448 861908153 /nfs/dbraw/zinc/90/81/53/861908153.db2.gz JUXXBSFKAZDUGH-MRXNPFEDSA-N -1 1 421.472 4.358 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2nc3ccc(C)cc3s2)c1 ZINC000436729671 861914160 /nfs/dbraw/zinc/91/41/60/861914160.db2.gz SPPUOEGKFRJMFQ-UHFFFAOYSA-N -1 1 408.439 4.111 20 0 HIADMM O=C(N[C@@H](c1ccco1)c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045153381 848640149 /nfs/dbraw/zinc/64/01/49/848640149.db2.gz VFCPKJQBRPJIIF-JOCHJYFZSA-N -1 1 404.466 4.379 20 0 HIADMM CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436742335 861926126 /nfs/dbraw/zinc/92/61/26/861926126.db2.gz VERZAKJBJAJIEA-UHFFFAOYSA-N -1 1 408.885 4.023 20 0 HIADMM O=C(NCCOc1ccc2ccccc2c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045212041 848647540 /nfs/dbraw/zinc/64/75/40/848647540.db2.gz NNURUHGVASEKEQ-UHFFFAOYSA-N -1 1 418.493 4.229 20 0 HIADMM CCN(Cc1ccc(OC)cc1)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000045398314 848674235 /nfs/dbraw/zinc/67/42/35/848674235.db2.gz AZADFCBIZRVPPS-UHFFFAOYSA-N -1 1 410.543 4.364 20 0 HIADMM CCN(CCNC(=O)CCn1c(=S)[n-]nc1-c1cccs1)c1cccc(C)c1 ZINC000045575187 848693641 /nfs/dbraw/zinc/69/36/41/848693641.db2.gz WLBGHSBAMAZYAL-UHFFFAOYSA-N -1 1 415.588 4.010 20 0 HIADMM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000436754430 861936747 /nfs/dbraw/zinc/93/67/47/861936747.db2.gz HHQOHLQIKRXTLH-HSZRJFAPSA-N -1 1 407.441 4.336 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])[C@@H](C)CO1 ZINC000436760048 861947864 /nfs/dbraw/zinc/94/78/64/861947864.db2.gz LBIKDDAXDQSUEH-NWDGAFQWSA-N -1 1 423.296 4.201 20 0 HIADMM COc1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1NC(=O)c1cccnc1 ZINC000436759606 861948150 /nfs/dbraw/zinc/94/81/50/861948150.db2.gz CIRNYSXNSDTJQN-UHFFFAOYSA-N -1 1 413.433 4.454 20 0 HIADMM CC[C@@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000046466435 848854670 /nfs/dbraw/zinc/85/46/70/848854670.db2.gz VRNSXEACVIGZCK-MRXNPFEDSA-N -1 1 408.470 4.170 20 0 HIADMM O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436764271 861953689 /nfs/dbraw/zinc/95/36/89/861953689.db2.gz PPWDXIHRUKWAML-UHFFFAOYSA-N -1 1 402.376 4.258 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000436763581 861955227 /nfs/dbraw/zinc/95/52/27/861955227.db2.gz LHIBLMCHGODXHX-UHFFFAOYSA-N -1 1 420.218 4.075 20 0 HIADMM CCOc1cc(-c2noc(-c3noc4c3CCCC4)n2)cc(Br)c1[O-] ZINC000436765554 861956397 /nfs/dbraw/zinc/95/63/97/861956397.db2.gz BYLUFBYMUPPKTB-UHFFFAOYSA-N -1 1 406.236 4.137 20 0 HIADMM CCOc1cc(-c2noc(C[C@H](C)n3nc(C)cc3C)n2)cc(Br)c1[O-] ZINC000436767247 861957408 /nfs/dbraw/zinc/95/74/08/861957408.db2.gz GHFAJGGFLMXABS-LBPRGKRZSA-N -1 1 421.295 4.220 20 0 HIADMM N#C[C@@H](C(=O)CCSc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707194 848915258 /nfs/dbraw/zinc/91/52/58/848915258.db2.gz XYZYCHSFXLSDKL-HNNXBMFYSA-N -1 1 409.536 4.222 20 0 HIADMM C[C@@]1(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCCOC1 ZINC000436767253 861957809 /nfs/dbraw/zinc/95/78/09/861957809.db2.gz UIKANHBELZXRMP-HXUWFJFHSA-N -1 1 423.296 4.250 20 0 HIADMM COc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)c([O-])c1 ZINC000046844466 848946347 /nfs/dbraw/zinc/94/63/47/848946347.db2.gz YUYHNVAXUNHKJP-UHFFFAOYSA-N -1 1 410.401 4.053 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1 ZINC000047190231 849001801 /nfs/dbraw/zinc/00/18/01/849001801.db2.gz LDNAUOFTJJGDDJ-WMZOPIPTSA-N -1 1 402.564 4.018 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000436777886 861968821 /nfs/dbraw/zinc/96/88/21/861968821.db2.gz OYUBKMMOAWMQBX-UHFFFAOYSA-N -1 1 416.403 4.216 20 0 HIADMM CCOc1cc(-c2noc(CCOCc3ccccc3)n2)cc(Br)c1[O-] ZINC000436779491 861969396 /nfs/dbraw/zinc/96/93/96/861969396.db2.gz XHEQTHSRLBGINL-UHFFFAOYSA-N -1 1 419.275 4.363 20 0 HIADMM C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436782572 861973409 /nfs/dbraw/zinc/97/34/09/861973409.db2.gz JBNPLCOYPIVIIY-JPYJTQIMSA-N -1 1 416.521 4.412 20 0 HIADMM Cc1ccc(SCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000047363388 849032499 /nfs/dbraw/zinc/03/24/99/849032499.db2.gz SCOWVUKQFOKUPF-HNNXBMFYSA-N -1 1 409.536 4.140 20 0 HIADMM CCc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)sc1C ZINC000047423924 849044913 /nfs/dbraw/zinc/04/49/13/849044913.db2.gz QXFXBXSEJQBAAN-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000047432285 849045288 /nfs/dbraw/zinc/04/52/88/849045288.db2.gz HWWWQVBEFUDSLU-UHFFFAOYSA-N -1 1 407.388 4.068 20 0 HIADMM CCCNC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1Cl ZINC000436794676 861989274 /nfs/dbraw/zinc/98/92/74/861989274.db2.gz WFQVYBOVAVFDJR-UHFFFAOYSA-N -1 1 400.784 4.457 20 0 HIADMM O=C(Nc1cccc(-c2cnco2)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000048241643 849195322 /nfs/dbraw/zinc/19/53/22/849195322.db2.gz PVVKHOUBLCLDBS-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM Cc1ccc(CCCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000048817532 849271333 /nfs/dbraw/zinc/27/13/33/849271333.db2.gz SMFUAOIAGYZDLX-KRWDZBQOSA-N -1 1 405.523 4.371 20 0 HIADMM O=S(=O)([N-]Cc1cccc(Br)c1)c1cc(Cl)sc1Cl ZINC000048866819 849277143 /nfs/dbraw/zinc/27/71/43/849277143.db2.gz PBFBHMDHGGQGLO-UHFFFAOYSA-N -1 1 401.134 4.296 20 0 HIADMM CCOc1cc(-c2noc(/C=C\c3ccc(C)cn3)n2)cc(Br)c1[O-] ZINC000436824086 862006011 /nfs/dbraw/zinc/00/60/11/862006011.db2.gz FSXWLGPZORDIEL-SREVYHEPSA-N -1 1 402.248 4.477 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 ZINC000050178206 849359664 /nfs/dbraw/zinc/35/96/64/849359664.db2.gz KFQAISAASMQPTI-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM O=C1CCCCN1Cc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000050534341 849392567 /nfs/dbraw/zinc/39/25/67/849392567.db2.gz VEBIPHGGLQVRLP-UHFFFAOYSA-N -1 1 412.433 4.019 20 0 HIADMM CCc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000050577326 849395011 /nfs/dbraw/zinc/39/50/11/849395011.db2.gz ACCUQMOKNKIFLT-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C(C3CC3)C3CC3)cc2)ccc1F ZINC000050682482 849403251 /nfs/dbraw/zinc/40/32/51/849403251.db2.gz XLWYAXYCUIGERU-UHFFFAOYSA-N -1 1 416.518 4.196 20 0 HIADMM O=C(N[C@H]1CSc2ccccc21)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436859080 862039816 /nfs/dbraw/zinc/03/98/16/862039816.db2.gz WTMCWEGIZSAKEJ-VQTJNVASSA-N -1 1 418.518 4.113 20 0 HIADMM CCOC(=O)Nc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000053466705 849715848 /nfs/dbraw/zinc/71/58/48/849715848.db2.gz GNUVINRPZHKSEC-UHFFFAOYSA-N -1 1 411.487 4.123 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc(CN4CCCC4=O)c3)n2)cc(Cl)c1[O-] ZINC000436873451 862050458 /nfs/dbraw/zinc/05/04/58/862050458.db2.gz PNOIWSZPWIKNMX-UHFFFAOYSA-N -1 1 413.861 4.284 20 0 HIADMM CN(C)c1nc2sc(C(=O)[N-]c3nnc(Cc4ccccc4)s3)cc2s1 ZINC000053795269 849759197 /nfs/dbraw/zinc/75/91/97/849759197.db2.gz SJKXBJYYXSWLIU-UHFFFAOYSA-N -1 1 401.542 4.118 20 0 HIADMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1F ZINC000053819537 849763489 /nfs/dbraw/zinc/76/34/89/849763489.db2.gz WSGSYLGWOURRFJ-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM COc1cc(-c2noc([C@H]3CCCc4c(O)cccc43)n2)cc(Br)c1[O-] ZINC000436880155 862056952 /nfs/dbraw/zinc/05/69/52/862056952.db2.gz PJBUJFYEIHYWSJ-ZDUSSCGKSA-N -1 1 417.259 4.387 20 0 HIADMM COc1cc(-c2noc(Cc3cnc4ccccc4c3)n2)cc(Br)c1[O-] ZINC000436881334 862060174 /nfs/dbraw/zinc/06/01/74/862060174.db2.gz XBGAOLCXODWUQE-UHFFFAOYSA-N -1 1 412.243 4.352 20 0 HIADMM CCOc1cc(-c2nc(C(C)(C)NC(=O)c3ccccc3)no2)cc(Cl)c1[O-] ZINC000436882365 862060197 /nfs/dbraw/zinc/06/01/97/862060197.db2.gz RLLXJJJXVDGVSZ-UHFFFAOYSA-N -1 1 401.850 4.159 20 0 HIADMM COc1cc(-c2noc(-c3cc(NC(C)=O)ccc3C)n2)cc(Br)c1[O-] ZINC000436880962 862060324 /nfs/dbraw/zinc/06/03/24/862060324.db2.gz UQAASYMVABCILO-UHFFFAOYSA-N -1 1 418.247 4.147 20 0 HIADMM CCOc1cc(-c2nc([C@H](NC(=O)c3ccccc3)C3CC3)no2)cc(Cl)c1[O-] ZINC000436883962 862062122 /nfs/dbraw/zinc/06/21/22/862062122.db2.gz DNMLBFDYPBWNSY-QGZVFWFLSA-N -1 1 413.861 4.375 20 0 HIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000436885354 862063660 /nfs/dbraw/zinc/06/36/60/862063660.db2.gz CPUUHIBIQCTSDY-MRVPVSSYSA-N -1 1 420.229 4.021 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000054420430 849863566 /nfs/dbraw/zinc/86/35/66/849863566.db2.gz SAEDHRXLIHFHLE-GOSISDBHSA-N -1 1 406.511 4.214 20 0 HIADMM CC(=O)Nc1ccc([O-])c(-c2nc(C3(c4cccc(C(F)(F)F)c4)CC3)no2)c1 ZINC000436888973 862065689 /nfs/dbraw/zinc/06/56/89/862065689.db2.gz WMZJTQMHWGHBJX-UHFFFAOYSA-N -1 1 403.360 4.499 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(C)cc(OC)c3O)n2)cc(Br)c1[O-] ZINC000436891044 862068009 /nfs/dbraw/zinc/06/80/09/862068009.db2.gz HCNPDSSMVMEXFI-UHFFFAOYSA-N -1 1 421.247 4.293 20 0 HIADMM Cc1nc2ccccc2n1C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436894718 862069616 /nfs/dbraw/zinc/06/96/16/862069616.db2.gz RTJBEQYKIGEUSF-UHFFFAOYSA-N -1 1 414.303 4.290 20 0 HIADMM CN(Cc1ccsc1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000055132979 849975737 /nfs/dbraw/zinc/97/57/37/849975737.db2.gz LFXOWJRUTQRKGK-UHFFFAOYSA-N -1 1 402.422 4.256 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000055320894 850001079 /nfs/dbraw/zinc/00/10/79/850001079.db2.gz NETCGGYBVSJHHR-UHFFFAOYSA-N -1 1 413.817 4.102 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NNc2ccc(F)cc2)c1 ZINC000055544175 850050099 /nfs/dbraw/zinc/05/00/99/850050099.db2.gz VWTSCGCQYDADGI-UHFFFAOYSA-N -1 1 413.474 4.000 20 0 HIADMM Cc1ccc(Cc2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)cn1 ZINC000436908329 862085420 /nfs/dbraw/zinc/08/54/20/862085420.db2.gz IEAZPXXWPBQXFE-UHFFFAOYSA-N -1 1 422.391 4.267 20 0 HIADMM CCc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cn2)c1 ZINC000055621900 850081177 /nfs/dbraw/zinc/08/11/77/850081177.db2.gz CIBWSDRTSQTRON-UHFFFAOYSA-N -1 1 411.483 4.196 20 0 HIADMM CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl ZINC000055648372 850093590 /nfs/dbraw/zinc/09/35/90/850093590.db2.gz KTZSYDOYTNLLOY-UHFFFAOYSA-N -1 1 400.887 4.167 20 0 HIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC000055648308 850093711 /nfs/dbraw/zinc/09/37/11/850093711.db2.gz OYLUTOINKGGAMN-UHFFFAOYSA-N -1 1 416.877 4.337 20 0 HIADMM COc1ccccc1C[C@H](C)CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436919464 862101150 /nfs/dbraw/zinc/10/11/50/862101150.db2.gz NTTIADJPSHXKLD-LBPRGKRZSA-N -1 1 400.866 4.047 20 0 HIADMM COc1ccccc1C[C@H](C)CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436919464 862101160 /nfs/dbraw/zinc/10/11/60/862101160.db2.gz NTTIADJPSHXKLD-LBPRGKRZSA-N -1 1 400.866 4.047 20 0 HIADMM O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436922310 862103747 /nfs/dbraw/zinc/10/37/47/862103747.db2.gz MSWJMONNOFZMMC-CYBMUJFWSA-N -1 1 406.251 4.029 20 0 HIADMM CC(C)c1ncc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])cn1 ZINC000436925976 862106071 /nfs/dbraw/zinc/10/60/71/862106071.db2.gz ICGLQNKDGSLLGE-UHFFFAOYSA-N -1 1 412.396 4.088 20 0 HIADMM O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(Br)ccc1[O-] ZINC000436929229 862108104 /nfs/dbraw/zinc/10/81/04/862108104.db2.gz YQCJXCAHFJTPEV-UHFFFAOYSA-N -1 1 413.275 4.002 20 0 HIADMM O=C(Nc1ccc(C(=O)N(CC2CC2)C2CCC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436931812 862110976 /nfs/dbraw/zinc/11/09/76/862110976.db2.gz MMAWUIPLFVWEKX-UHFFFAOYSA-N -1 1 400.425 4.327 20 0 HIADMM O=c1[n-]c(-c2cc(Br)sc2Br)nc2ccc(O)cc12 ZINC000436931005 862111025 /nfs/dbraw/zinc/11/10/25/862111025.db2.gz ZYNAYZVQOCDOLM-UHFFFAOYSA-N -1 1 402.067 4.295 20 0 HIADMM COc1c(Cl)cccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000056286876 850313014 /nfs/dbraw/zinc/31/30/14/850313014.db2.gz OMGADVLWZBVLJE-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CC(=O)Nc1c(C)ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000056690508 850439325 /nfs/dbraw/zinc/43/93/25/850439325.db2.gz UCIGYRALKJFNGS-UHFFFAOYSA-N -1 1 409.486 4.094 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@@H]3CCCCS3)no2)c(O)c1)c1cccs1 ZINC000436954547 862133443 /nfs/dbraw/zinc/13/34/43/862133443.db2.gz XBDPOMHSTHDCCN-AWEZNQCLSA-N -1 1 423.541 4.263 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1(C)C ZINC000436953835 862133702 /nfs/dbraw/zinc/13/37/02/862133702.db2.gz BYDQUXNRJZMONE-CYBMUJFWSA-N -1 1 402.441 4.431 20 0 HIADMM CCOc1cc(-c2noc(/C=C/c3cncc(C)c3)n2)cc(Br)c1[O-] ZINC000436954286 862134001 /nfs/dbraw/zinc/13/40/01/862134001.db2.gz VBZVZHIRRXRHTB-SNAWJCMRSA-N -1 1 402.248 4.477 20 0 HIADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436956967 862136210 /nfs/dbraw/zinc/13/62/10/862136210.db2.gz VALUUJQBRYJLFI-CYBMUJFWSA-N -1 1 400.425 4.327 20 0 HIADMM O=C(C=C(C1CC1)C1CC1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931837 850517977 /nfs/dbraw/zinc/51/79/77/850517977.db2.gz ADEKYWFBDDHMKZ-UHFFFAOYSA-N -1 1 400.475 4.311 20 0 HIADMM Cc1cc(-c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)ccn1 ZINC000436957422 862138400 /nfs/dbraw/zinc/13/84/00/862138400.db2.gz XSXRHXCEDZZYEA-UHFFFAOYSA-N -1 1 408.364 4.343 20 0 HIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000057498085 850652327 /nfs/dbraw/zinc/65/23/27/850652327.db2.gz IMKSLLMJCPADER-UHFFFAOYSA-N -1 1 404.822 4.009 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000057912464 850743084 /nfs/dbraw/zinc/74/30/84/850743084.db2.gz IHKBYYUSQWGHKU-SUMWQHHRSA-N -1 1 409.511 4.229 20 0 HIADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436997861 862171977 /nfs/dbraw/zinc/17/19/77/862171977.db2.gz GJLUAXZHCVQQFJ-BSRJHKFKSA-N -1 1 416.521 4.458 20 0 HIADMM CCOc1ccc(-c2nc(C)c(C(=O)[N-]NC(=O)Nc3ccccc3C)s2)cc1 ZINC000058861840 850946877 /nfs/dbraw/zinc/94/68/77/850946877.db2.gz IAAVCXLGDHEPNL-UHFFFAOYSA-N -1 1 410.499 4.292 20 0 HIADMM CC(C)(C)c1nnc([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1 ZINC000059825170 851016219 /nfs/dbraw/zinc/01/62/19/851016219.db2.gz YIFGIKCPOAGOMD-UHFFFAOYSA-N -1 1 404.499 4.336 20 0 HIADMM CCC(CC)(Cc1nc2ccccc2s1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000059954609 851027128 /nfs/dbraw/zinc/02/71/28/851027128.db2.gz MSDFDAJQFMEQQF-UHFFFAOYSA-N -1 1 424.522 4.145 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000060091717 851040114 /nfs/dbraw/zinc/04/01/14/851040114.db2.gz ZAQVJERBXGQZIH-UHFFFAOYSA-N -1 1 416.499 4.050 20 0 HIADMM O=C(COc1cccc(Cl)c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401446 851087772 /nfs/dbraw/zinc/08/77/72/851087772.db2.gz INSDBAWCMOKVMJ-UHFFFAOYSA-N -1 1 416.886 4.158 20 0 HIADMM COc1ccc(Cl)cc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401278 851087793 /nfs/dbraw/zinc/08/77/93/851087793.db2.gz UZYQXJHMVRCVDN-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060412167 851090345 /nfs/dbraw/zinc/09/03/45/851090345.db2.gz OFBDBRSGMLGCDI-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM Cc1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412144 851091335 /nfs/dbraw/zinc/09/13/35/851091335.db2.gz XXYYYOTZWNBMFT-WYMLVPIESA-N -1 1 417.490 4.319 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1coc(Br)c1 ZINC000060414551 851092516 /nfs/dbraw/zinc/09/25/16/851092516.db2.gz ULWYQEBUMLEDMF-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM CCOc1ccc(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000060414464 851092521 /nfs/dbraw/zinc/09/25/21/851092521.db2.gz DDOAQMMOPKRFFW-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM CC(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000060524844 851133869 /nfs/dbraw/zinc/13/38/69/851133869.db2.gz OMMSTQDSWHONSO-UHFFFAOYSA-N -1 1 400.472 4.397 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(-c3csnn3)cc2)c1 ZINC000060556691 851145660 /nfs/dbraw/zinc/14/56/60/851145660.db2.gz GLWGRSFCWDOHOU-UHFFFAOYSA-N -1 1 408.512 4.073 20 0 HIADMM O=C([N-]NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cc(F)ccc1F ZINC000060781457 851212049 /nfs/dbraw/zinc/21/20/49/851212049.db2.gz ZAPFFTCYFQDDCF-UHFFFAOYSA-N -1 1 409.767 4.268 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc2ccccc2c(C)c1Cl ZINC000062294633 851525598 /nfs/dbraw/zinc/52/55/98/851525598.db2.gz MTNWYWYCONRIFI-UHFFFAOYSA-N -1 1 418.902 4.315 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC)cc2C)cc1 ZINC000063178707 851628804 /nfs/dbraw/zinc/62/88/04/851628804.db2.gz NQKGXJYRLNLFCI-UHFFFAOYSA-N -1 1 404.532 4.115 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1C ZINC000063181310 851629564 /nfs/dbraw/zinc/62/95/64/851629564.db2.gz YECXJDHFKSHHRI-UHFFFAOYSA-N -1 1 416.421 4.433 20 0 HIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)ccc21 ZINC000063476123 851699753 /nfs/dbraw/zinc/69/97/53/851699753.db2.gz RVYHDAIFJDQCFU-HNNXBMFYSA-N -1 1 411.527 4.150 20 0 HIADMM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cc(-c2ccccc2)on1 ZINC000063497272 851703134 /nfs/dbraw/zinc/70/31/34/851703134.db2.gz HHCQHJYFUYNMJZ-UHFFFAOYSA-N -1 1 410.231 4.142 20 0 HIADMM CC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCS1 ZINC000437080119 862274745 /nfs/dbraw/zinc/27/47/45/862274745.db2.gz VHTHYOXZNGMPEB-QGZVFWFLSA-N -1 1 424.975 4.108 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=S)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000063669117 851736623 /nfs/dbraw/zinc/73/66/23/851736623.db2.gz NEPWKLWWVLJBOV-UHFFFAOYSA-N -1 1 420.437 4.005 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000063695535 851743198 /nfs/dbraw/zinc/74/31/98/851743198.db2.gz VYZMHGROQVVFTP-UHFFFAOYSA-N -1 1 401.513 4.214 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2ccccc2Cl)cc1 ZINC000063700595 851744061 /nfs/dbraw/zinc/74/40/61/851744061.db2.gz OEOCACNKCIANFP-UHFFFAOYSA-N -1 1 416.934 4.019 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CC3CCCC3)cc2)cc1 ZINC000064088857 851825790 /nfs/dbraw/zinc/82/57/90/851825790.db2.gz QTJCEQDIRMGWSX-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)c(C(F)(F)F)c1 ZINC000064477276 851907966 /nfs/dbraw/zinc/90/79/66/851907966.db2.gz JWHQBZVCLHHESG-UHFFFAOYSA-N -1 1 416.421 4.253 20 0 HIADMM CSc1ccc(Cl)cc1[N-]C(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000064936035 852024997 /nfs/dbraw/zinc/02/49/97/852024997.db2.gz FESGJFKDZIJOLC-UHFFFAOYSA-N -1 1 410.826 4.003 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(COCCc3ccccc3)c2)cc1 ZINC000064938613 852027845 /nfs/dbraw/zinc/02/78/45/852027845.db2.gz IPKSAMBMCQJHRX-UHFFFAOYSA-N -1 1 424.522 4.205 20 0 HIADMM COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc(Br)c1[O-] ZINC000065002232 852037602 /nfs/dbraw/zinc/03/76/02/852037602.db2.gz WWZXGFBULXUAKV-QMMMGPOBSA-N -1 1 421.316 4.253 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C)n3)cc2)cc1 ZINC000065080191 852057469 /nfs/dbraw/zinc/05/74/69/852057469.db2.gz ZBZVKAANHVUUAG-UHFFFAOYSA-N -1 1 400.504 4.150 20 0 HIADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000065084072 852058444 /nfs/dbraw/zinc/05/84/44/852058444.db2.gz VBLYCERXEVDUHK-UHFFFAOYSA-N -1 1 405.483 4.269 20 0 HIADMM Cc1nc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)nn1-c1ccc(F)cc1 ZINC000065084424 852058934 /nfs/dbraw/zinc/05/89/34/852058934.db2.gz OBCLXUDYOFVCRT-UHFFFAOYSA-N -1 1 408.462 4.102 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCCN(C)c2ccccc2)cc1 ZINC000065124280 852072789 /nfs/dbraw/zinc/07/27/89/852072789.db2.gz LPJUVYIRCZBNNZ-UHFFFAOYSA-N -1 1 423.586 4.339 20 0 HIADMM COc1ccccc1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000065160091 852080857 /nfs/dbraw/zinc/08/08/57/852080857.db2.gz LKHFHCWNLBEPNU-UHFFFAOYSA-N -1 1 410.495 4.081 20 0 HIADMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000065223985 852091381 /nfs/dbraw/zinc/09/13/81/852091381.db2.gz FBQNKFULHDZTOS-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM COc1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)ccc1C ZINC000065418581 852125687 /nfs/dbraw/zinc/12/56/87/852125687.db2.gz IIJTVCUOLXRJKX-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000065834623 852275926 /nfs/dbraw/zinc/27/59/26/852275926.db2.gz XPQRPTFWAFSFTB-UHFFFAOYSA-N -1 1 406.813 4.373 20 0 HIADMM O=C([N-]NC(=O)c1sccc1-c1ccc(F)cc1)c1cc(-c2ccccc2)[nH]n1 ZINC000066042727 852363919 /nfs/dbraw/zinc/36/39/19/852363919.db2.gz BBXJUPZHPFGIFM-UHFFFAOYSA-N -1 1 406.442 4.019 20 0 HIADMM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000071928925 852433297 /nfs/dbraw/zinc/43/32/97/852433297.db2.gz PZDSUTROPNCRGU-LBPRGKRZSA-N -1 1 405.292 4.069 20 0 HIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1 ZINC000071977160 852452411 /nfs/dbraw/zinc/45/24/11/852452411.db2.gz IDRMHINKKYPIOQ-UHFFFAOYSA-N -1 1 413.293 4.127 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cc(F)ccc3F)c2)cc1 ZINC000078512240 852517826 /nfs/dbraw/zinc/51/78/26/852517826.db2.gz NJNHEIZLTHBWTD-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM C[C@H](SCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1nc2ccccc2[nH]1 ZINC000097028882 852575359 /nfs/dbraw/zinc/57/53/59/852575359.db2.gz TZOWBIMALMRPQQ-HNNXBMFYSA-N -1 1 423.538 4.184 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCc3cc(C)ccc32)cc1 ZINC000097041875 852576348 /nfs/dbraw/zinc/57/63/48/852576348.db2.gz ZQIFBSXIPRBDNU-UHFFFAOYSA-N -1 1 408.527 4.294 20 0 HIADMM CC(C)c1cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n[nH]1 ZINC000097544931 852625497 /nfs/dbraw/zinc/62/54/97/852625497.db2.gz BAKRRDAKIDKYHZ-UHFFFAOYSA-N -1 1 400.385 4.022 20 0 HIADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000097551711 852629517 /nfs/dbraw/zinc/62/95/17/852629517.db2.gz RCPDLNYNTMIFKD-UHFFFAOYSA-N -1 1 414.918 4.438 20 0 HIADMM Cc1cccc(OCCC(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c1C ZINC000097555115 852631050 /nfs/dbraw/zinc/63/10/50/852631050.db2.gz CTXIGPNGDBVXOS-UHFFFAOYSA-N -1 1 402.564 4.314 20 0 HIADMM CN(c1ccccc1)c1ccccc1C(=O)N1CCC[C@@H](c2n[n-]c(=S)n2C)C1 ZINC000097569946 852631531 /nfs/dbraw/zinc/63/15/31/852631531.db2.gz TXTZTRMXHSHQJL-MRXNPFEDSA-N -1 1 407.543 4.265 20 0 HIADMM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](c2n[n-]c(=S)n2C)C1 ZINC000097570056 852632401 /nfs/dbraw/zinc/63/24/01/852632401.db2.gz RBDGCGUTFJSAIE-AAEUAGOBSA-N -1 1 413.374 4.369 20 0 HIADMM CCn1c([C@@H]2CCCN(C(=O)C[C@@H](c3ccccc3)C(F)(F)F)C2)n[n-]c1=S ZINC000097570150 852632565 /nfs/dbraw/zinc/63/25/65/852632565.db2.gz GBBISGYEJVAEHJ-CABCVRRESA-N -1 1 412.481 4.403 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000105837852 852732818 /nfs/dbraw/zinc/73/28/18/852732818.db2.gz FGTAZBFFIWPOLP-CYBMUJFWSA-N -1 1 415.902 4.000 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCS[C@H](C(C)C)C3)c2)c1 ZINC000437198163 862389135 /nfs/dbraw/zinc/38/91/35/862389135.db2.gz JGFRIPRIEYXCPR-FQEVSTJZSA-N -1 1 418.584 4.009 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)s1 ZINC000108256061 852832879 /nfs/dbraw/zinc/83/28/79/852832879.db2.gz FWCODYPUSRGOCC-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cc(Br)ccc1[O-] ZINC000108350941 852842508 /nfs/dbraw/zinc/84/25/08/852842508.db2.gz JROHHSSHMYQEPQ-UHFFFAOYSA-N -1 1 417.303 4.213 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)CC2CCCC2)c1 ZINC000109433463 852969470 /nfs/dbraw/zinc/96/94/70/852969470.db2.gz GDDSDHDNLYFVRB-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccncc3)c2)cc1 ZINC000110026215 853049551 /nfs/dbraw/zinc/04/95/51/853049551.db2.gz IZQIFZATSQUSQI-UHFFFAOYSA-N -1 1 409.511 4.333 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1 ZINC000111007946 853187222 /nfs/dbraw/zinc/18/72/22/853187222.db2.gz FTGBGRYACBXZBO-UHFFFAOYSA-N -1 1 421.526 4.068 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(C(C)C)[nH]n3)c2)cc1F ZINC000115875864 853269346 /nfs/dbraw/zinc/26/93/46/853269346.db2.gz IJFKRTUPTIJHMC-UHFFFAOYSA-N -1 1 416.478 4.034 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000115885508 853270427 /nfs/dbraw/zinc/27/04/27/853270427.db2.gz NCLNWUJHYZUGRY-UHFFFAOYSA-N -1 1 400.472 4.405 20 0 HIADMM COc1ccc(NC(=O)[C@@H](OC(=O)c2c([O-])cc(F)cc2F)c2ccccc2)cc1 ZINC000116109672 853283839 /nfs/dbraw/zinc/28/38/39/853283839.db2.gz YGIRCNMKXCMKFF-FQEVSTJZSA-N -1 1 413.376 4.216 20 0 HIADMM CCC1CCC(N(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C2CC2)CC1 ZINC000116576669 853317054 /nfs/dbraw/zinc/31/70/54/853317054.db2.gz YCSZLSHIUXIQPK-UHFFFAOYSA-N -1 1 408.546 4.033 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)o1 ZINC000117264753 853350593 /nfs/dbraw/zinc/35/05/93/853350593.db2.gz QUBZKDANHDXHCF-IBGZPJMESA-N -1 1 422.522 4.157 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000117430547 853356850 /nfs/dbraw/zinc/35/68/50/853356850.db2.gz FHLLEJJUEGYXBJ-UHFFFAOYSA-N -1 1 423.296 4.278 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCc2ccccc21 ZINC000138315100 853383456 /nfs/dbraw/zinc/38/34/56/853383456.db2.gz AUNVZCNKUXOAMD-JOCHJYFZSA-N -1 1 406.507 4.247 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000138978762 853401529 /nfs/dbraw/zinc/40/15/29/853401529.db2.gz LAOCBVIOWXMTBX-IFMALSPDSA-N -1 1 406.507 4.082 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000142091005 853486965 /nfs/dbraw/zinc/48/69/65/853486965.db2.gz OXLGSNHILOPQTK-LJQANCHMSA-N -1 1 408.527 4.376 20 0 HIADMM Cc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000207814655 853804805 /nfs/dbraw/zinc/80/48/05/853804805.db2.gz GNYQRKRKPMBQMU-FRHQNKJESA-N -1 1 412.445 4.076 20 0 HIADMM COc1ccc(C(=O)[N-]C(=O)CSc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000216249968 853847771 /nfs/dbraw/zinc/84/77/71/853847771.db2.gz YPYXXOJNJOMJMW-UHFFFAOYSA-N -1 1 402.472 4.007 20 0 HIADMM O=C(NC1CC1)c1ccc(CN(C(=O)c2cc3ccccc3cc2[O-])C2CC2)cc1 ZINC000219481428 853869904 /nfs/dbraw/zinc/86/99/04/853869904.db2.gz JEHPBDUTCQLITP-UHFFFAOYSA-N -1 1 400.478 4.242 20 0 HIADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000221568550 853876114 /nfs/dbraw/zinc/87/61/14/853876114.db2.gz XFWQVWTWEMIOGL-HBGVWJBISA-N -1 1 415.559 4.073 20 0 HIADMM Cc1cc([C@H](C)NC(=O)c2ccc(I)c([O-])c2)c(C)s1 ZINC000230888518 853895961 /nfs/dbraw/zinc/89/59/61/853895961.db2.gz LZLZUYXMBBLNNG-VIFPVBQESA-N -1 1 401.269 4.166 20 0 HIADMM O=S(=O)(CCCCCl)[N-]c1ccc(Br)cc1OC(F)(F)F ZINC000232273886 853897781 /nfs/dbraw/zinc/89/77/81/853897781.db2.gz SUCONWORLWMIEL-UHFFFAOYSA-N -1 1 410.639 4.108 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000247966069 854170814 /nfs/dbraw/zinc/17/08/14/854170814.db2.gz ZJKHRKKQWYDBIE-UHFFFAOYSA-N -1 1 424.497 4.431 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000248070599 854176702 /nfs/dbraw/zinc/17/67/02/854176702.db2.gz GUNLVDKUMJESJC-OAQYLSRUSA-N -1 1 415.522 4.217 20 0 HIADMM CC(C)(C)[C@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1cccs1 ZINC000261421652 854256347 /nfs/dbraw/zinc/25/63/47/854256347.db2.gz HZKDCPRWFWNBKS-CYBMUJFWSA-N -1 1 405.467 4.258 20 0 HIADMM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2SC[C@H]2CC2(Cl)Cl)o1 ZINC000261459138 854270071 /nfs/dbraw/zinc/27/00/71/854270071.db2.gz LINBBRYRWQPBGT-SNVBAGLBSA-N -1 1 420.339 4.221 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)cc1Cl ZINC000261472207 854273966 /nfs/dbraw/zinc/27/39/66/854273966.db2.gz YFWVMOPSNMFDGN-VWLOTQADSA-N -1 1 415.964 4.197 20 0 HIADMM O=c1[n-]c(Oc2ccc(Br)cc2F)nc2c1cnn2-c1ccccc1 ZINC000301267274 854343877 /nfs/dbraw/zinc/34/38/77/854343877.db2.gz FUPGWWFPYXAKRN-UHFFFAOYSA-N -1 1 401.195 4.215 20 0 HIADMM Cc1nc(-c2ccc(N3CCC(Oc4ccc(F)cc4F)CC3)nc2)[n-]c(=O)c1C ZINC000301360450 854370579 /nfs/dbraw/zinc/37/05/79/854370579.db2.gz LWGGZQWXFSSLNU-UHFFFAOYSA-N -1 1 412.440 4.187 20 0 HIADMM CCOc1cc2c(cc1CNc1ccc(-c3nc(C)c(C)c(=O)[n-]3)cn1)O[C@H](C)C2 ZINC000301361792 854370819 /nfs/dbraw/zinc/37/08/19/854370819.db2.gz OLQUDUFJJXFRIS-CYBMUJFWSA-N -1 1 406.486 4.195 20 0 HIADMM Cc1nc(-c2ccc(NCCC(=O)Nc3cccc(Cl)c3C)nc2)[n-]c(=O)c1C ZINC000301401690 854383717 /nfs/dbraw/zinc/38/37/17/854383717.db2.gz JBIPDUPONVTBFD-UHFFFAOYSA-N -1 1 411.893 4.264 20 0 HIADMM CC(C)c1noc([N-][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)n1 ZINC000301461148 854400550 /nfs/dbraw/zinc/40/05/50/854400550.db2.gz JAJZTBMZMJIUDI-QGZVFWFLSA-N -1 1 405.907 4.451 20 0 HIADMM COc1ccc(OC(F)F)c(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000301609488 854429724 /nfs/dbraw/zinc/42/97/24/854429724.db2.gz PRYNMGVPWVIOAU-UHFFFAOYSA-N -1 1 402.401 4.083 20 0 HIADMM O=S(=O)([N-]c1ccc(Br)c(C(F)(F)F)c1)c1ccc2c(c1)CCO2 ZINC000301752754 854459562 /nfs/dbraw/zinc/45/95/62/854459562.db2.gz XPBTXWDVZTUGFE-UHFFFAOYSA-N -1 1 422.222 4.204 20 0 HIADMM CC[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)c1c(C)noc1C ZINC000301825047 854471956 /nfs/dbraw/zinc/47/19/56/854471956.db2.gz MDTRQCQBUSAJGF-QGZVFWFLSA-N -1 1 422.457 4.329 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000302902669 854673350 /nfs/dbraw/zinc/67/33/50/854673350.db2.gz UAPFMNQIFOLVQX-UHFFFAOYSA-N -1 1 408.405 4.453 20 0 HIADMM O=C(CCn1c(-c2cccs2)n[n-]c1=S)Nc1cc(C(F)(F)F)ccc1O ZINC000302937056 854687613 /nfs/dbraw/zinc/68/76/13/854687613.db2.gz IOFNTTJXEBNGKH-UHFFFAOYSA-N -1 1 414.434 4.422 20 0 HIADMM O=C([N-]OCc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000302957581 854695630 /nfs/dbraw/zinc/69/56/30/854695630.db2.gz BNMPSXIZHNSOBX-ILBGXUMGSA-N -1 1 414.505 4.415 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)c(C)c1 ZINC000303015146 854724164 /nfs/dbraw/zinc/72/41/64/854724164.db2.gz KKOFFJLCBGIYEX-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000303094327 854756981 /nfs/dbraw/zinc/75/69/81/854756981.db2.gz FGYFJVYCXSIQQI-UHFFFAOYSA-N -1 1 421.733 4.126 20 0 HIADMM Cc1ccccc1C1(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000303139135 854780620 /nfs/dbraw/zinc/78/06/20/854780620.db2.gz LTVYOGUFTCGLMW-UHFFFAOYSA-N -1 1 420.534 4.257 20 0 HIADMM O=C([N-]c1nc2cc(Cl)ccc2s1)c1sccc1S(=O)(=O)C(F)F ZINC000303287024 854853640 /nfs/dbraw/zinc/85/36/40/854853640.db2.gz LQAQJHIYMFSGSC-UHFFFAOYSA-N -1 1 408.860 4.260 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3COc4ccccc43)ccc2C)c1 ZINC000303654936 855109525 /nfs/dbraw/zinc/10/95/25/855109525.db2.gz XRVSQYJTQINDNB-FQEVSTJZSA-N -1 1 422.506 4.219 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1coc2ccccc12 ZINC000303668251 855119772 /nfs/dbraw/zinc/11/97/72/855119772.db2.gz ZYHUXIYBPJAWJL-UHFFFAOYSA-N -1 1 406.463 4.164 20 0 HIADMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000303732420 855158430 /nfs/dbraw/zinc/15/84/30/855158430.db2.gz VFFPSFWXROEQNU-MHZLTWQESA-N -1 1 420.531 4.222 20 0 HIADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000303737112 855162205 /nfs/dbraw/zinc/16/22/05/855162205.db2.gz GZLSOVHIAOQHGZ-NRFANRHFSA-N -1 1 409.511 4.106 20 0 HIADMM CCCC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000303772564 855188913 /nfs/dbraw/zinc/18/89/13/855188913.db2.gz NDEOIQKOYNRPAP-IBGZPJMESA-N -1 1 418.559 4.039 20 0 HIADMM Cc1ccc(C[C@@H](C)N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000303783174 855195829 /nfs/dbraw/zinc/19/58/29/855195829.db2.gz SWKXBMWDIIENOK-LJQANCHMSA-N -1 1 422.550 4.499 20 0 HIADMM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000303809489 855213729 /nfs/dbraw/zinc/21/37/29/855213729.db2.gz KWAAZGOLWOBVKK-ZDUSSCGKSA-N -1 1 418.868 4.164 20 0 HIADMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000303821863 855222783 /nfs/dbraw/zinc/22/27/83/855222783.db2.gz ADSBKSQDLXXNBO-UHFFFAOYSA-N -1 1 400.422 4.198 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCC2(c3cccc(Cl)c3)CC2)c1 ZINC000303829161 855228491 /nfs/dbraw/zinc/22/84/91/855228491.db2.gz OHMHCRGEZSZSMC-UHFFFAOYSA-N -1 1 412.946 4.418 20 0 HIADMM O=S(=O)([N-]CCCn1cnc2ccccc21)c1c(Cl)cccc1C(F)(F)F ZINC000303852424 855247820 /nfs/dbraw/zinc/24/78/20/855247820.db2.gz RXLUESRDKQMTPR-UHFFFAOYSA-N -1 1 417.840 4.077 20 0 HIADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000303855125 855250189 /nfs/dbraw/zinc/25/01/89/855250189.db2.gz SIUMFKIJTQQBOU-JOCHJYFZSA-N -1 1 423.538 4.496 20 0 HIADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2C)c1Br ZINC000322911371 855393418 /nfs/dbraw/zinc/39/34/18/855393418.db2.gz FUMOOVULFDUZHM-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cc1 ZINC000323882241 855396839 /nfs/dbraw/zinc/39/68/39/855396839.db2.gz UGJQPGNTSFBQSB-UHFFFAOYSA-N -1 1 417.712 4.252 20 0 HIADMM Cc1ccc(NC(=O)CCCC2CCOCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000409458331 855489311 /nfs/dbraw/zinc/48/93/11/855489311.db2.gz DTLFJVYCNNMURC-UHFFFAOYSA-N -1 1 416.543 4.331 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C2CCCC2)cc1Cl ZINC000410334484 855934433 /nfs/dbraw/zinc/93/44/33/855934433.db2.gz YPIJXBFMLQJSME-UHFFFAOYSA-N -1 1 421.950 4.478 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000437401270 862746308 /nfs/dbraw/zinc/74/63/08/862746308.db2.gz WKICPAMLLBRQQO-XUTJKUGGSA-N -1 1 406.507 4.163 20 0 HIADMM Cc1cccnc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000426045066 856069532 /nfs/dbraw/zinc/06/95/32/856069532.db2.gz BGRBFHYSRQWNHS-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000426648585 856393590 /nfs/dbraw/zinc/39/35/90/856393590.db2.gz SUCFRIAGKSDSPC-SFHVURJKSA-N -1 1 416.271 4.200 20 0 HIADMM CCc1nc(CNCc2ccc(OCc3ccccc3)c(OC)c2)ccc1C(=O)[O-] ZINC000426650538 856393799 /nfs/dbraw/zinc/39/37/99/856393799.db2.gz DJDZIDIZOACXPH-UHFFFAOYSA-N -1 1 406.482 4.220 20 0 HIADMM O=C([O-])C[C@@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccsc1 ZINC000426682309 856410968 /nfs/dbraw/zinc/41/09/68/856410968.db2.gz HLNFTRNMXXROPX-QGZVFWFLSA-N -1 1 409.433 4.317 20 0 HIADMM O=C([O-])[C@@H](NCc1cc(Br)cc2c1OCC2)c1ccc(Cl)c(F)c1 ZINC000426726416 856437191 /nfs/dbraw/zinc/43/71/91/856437191.db2.gz JMLLPGUQOWJZNZ-HNNXBMFYSA-N -1 1 414.658 4.092 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000426734304 856441681 /nfs/dbraw/zinc/44/16/81/856441681.db2.gz PRGIDBOPNGGIDV-HNNXBMFYSA-N -1 1 402.647 4.166 20 0 HIADMM CCCOc1cccc(CN[C@H](C(=O)[O-])c2cc(Br)ccc2OC)c1 ZINC000426734785 856441811 /nfs/dbraw/zinc/44/18/11/856441811.db2.gz BOQYHYTYJNQCHF-SFHVURJKSA-N -1 1 408.292 4.162 20 0 HIADMM O=C([O-])C[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccccc2)c1 ZINC000426736199 856443065 /nfs/dbraw/zinc/44/30/65/856443065.db2.gz XBTTXQRSTBXZSM-IBGZPJMESA-N -1 1 419.403 4.119 20 0 HIADMM Cc1ccc(OCc2nc(CN[C@H](Cc3cccc(Cl)c3)C(=O)[O-])cs2)cc1 ZINC000426738900 856445463 /nfs/dbraw/zinc/44/54/63/856445463.db2.gz ZRILAOSWJPKHTC-LJQANCHMSA-N -1 1 416.930 4.469 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000426748008 856452929 /nfs/dbraw/zinc/45/29/29/856452929.db2.gz UECAYOZLXIOQRL-GOSISDBHSA-N -1 1 408.292 4.160 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1cccc(OC(C)C)c1)C(=O)[O-] ZINC000426749139 856453718 /nfs/dbraw/zinc/45/37/18/856453718.db2.gz CXPGWDIQCHAURO-SFHVURJKSA-N -1 1 408.292 4.160 20 0 HIADMM CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OC ZINC000426754342 856457541 /nfs/dbraw/zinc/45/75/41/856457541.db2.gz PMQKVGDUQZYDBY-INIZCTEOSA-N -1 1 402.249 4.455 20 0 HIADMM CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1CCOC(C)(C)C1 ZINC000426771641 856469095 /nfs/dbraw/zinc/46/90/95/856469095.db2.gz DXMKSJHWISDIEE-LBPRGKRZSA-N -1 1 407.308 4.123 20 0 HIADMM CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H]1CCOC(C)(C)C1 ZINC000426771640 856469236 /nfs/dbraw/zinc/46/92/36/856469236.db2.gz DXMKSJHWISDIEE-GFCCVEGCSA-N -1 1 407.308 4.123 20 0 HIADMM COc1cc(OC)cc(Oc2ccc(CN[C@H](C(=O)[O-])c3ccccc3OC)cc2)c1 ZINC000426781760 856475804 /nfs/dbraw/zinc/47/58/04/856475804.db2.gz DMFLWBKSZYUPIM-QHCPKHFHSA-N -1 1 423.465 4.420 20 0 HIADMM O=C([O-])[C@@H](NCc1ccc(Br)cc1F)c1ccc(Br)cc1 ZINC000426817159 856495388 /nfs/dbraw/zinc/49/53/88/856495388.db2.gz NNNMCRDDHKDRMP-AWEZNQCLSA-N -1 1 417.072 4.266 20 0 HIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C)c(Br)c2)c1OC ZINC000426824347 856499833 /nfs/dbraw/zinc/49/98/33/856499833.db2.gz HPGKPCYKCUACMH-INIZCTEOSA-N -1 1 408.292 4.080 20 0 HIADMM O=C([O-])C[C@@H](NCc1cnn(-c2ccc(F)cc2)c1)c1cccc(Br)c1 ZINC000426832763 856504285 /nfs/dbraw/zinc/50/42/85/856504285.db2.gz KBHRZCVRMQWXEW-GOSISDBHSA-N -1 1 418.266 4.080 20 0 HIADMM Cc1cnc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1 ZINC000427039920 856607183 /nfs/dbraw/zinc/60/71/83/856607183.db2.gz CNXMHHBDTQVTNQ-OAHLLOKOSA-N -1 1 415.540 4.052 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C[S@@](=O)C(C)(C)C)c3)cc2s1 ZINC000427207683 856713779 /nfs/dbraw/zinc/71/37/79/856713779.db2.gz ZCRARAVGFFPVJN-AREMUKBSSA-N -1 1 422.597 4.453 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(CC(F)F)C(C)C)cc2)c1 ZINC000427225149 856722666 /nfs/dbraw/zinc/72/26/66/856722666.db2.gz DUEZCPLZJCLMHG-UHFFFAOYSA-N -1 1 410.486 4.220 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC(C)(C)[C@@H]1C1CC1 ZINC000427238886 856730346 /nfs/dbraw/zinc/73/03/46/856730346.db2.gz YHBGPDZQPQWMGZ-FQEVSTJZSA-N -1 1 416.518 4.196 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1OCC ZINC000427295566 856757194 /nfs/dbraw/zinc/75/71/94/856757194.db2.gz OYQFCWAQVUPAAK-UHFFFAOYSA-N -1 1 402.472 4.248 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000427361660 856794462 /nfs/dbraw/zinc/79/44/62/856794462.db2.gz GKKJJPAWDRRIHT-HOTGVXAUSA-N -1 1 420.481 4.028 20 0 HIADMM Cc1cc(C)nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 ZINC000437485169 862843383 /nfs/dbraw/zinc/84/33/83/862843383.db2.gz QITDZXJHYXFPTR-UHFFFAOYSA-N -1 1 413.474 4.199 20 0 HIADMM Cc1cc(C)nc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)c1 ZINC000437487996 862845481 /nfs/dbraw/zinc/84/54/81/862845481.db2.gz VMSKCWWBZUMXQR-UHFFFAOYSA-N -1 1 413.474 4.199 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccncc4)c(C)c3)cc21 ZINC000427657560 856898431 /nfs/dbraw/zinc/89/84/31/856898431.db2.gz QMQZPHWTOCUPCA-UHFFFAOYSA-N -1 1 421.522 4.157 20 0 HIADMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2n[nH]c(-c3ccccc3)c2C)c1 ZINC000427745872 856935437 /nfs/dbraw/zinc/93/54/37/856935437.db2.gz OTILJOLKZXBYMM-UHFFFAOYSA-N -1 1 419.890 4.016 20 0 HIADMM C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCS1 ZINC000427957426 857022811 /nfs/dbraw/zinc/02/28/11/857022811.db2.gz JTYSWILIELCJLW-CQSZACIVSA-N -1 1 424.975 4.108 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 ZINC000428209543 857111032 /nfs/dbraw/zinc/11/10/32/857111032.db2.gz QBNYWQAKYPKXMP-UHFFFAOYSA-N -1 1 411.483 4.196 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)c1 ZINC000428304722 857146613 /nfs/dbraw/zinc/14/66/13/857146613.db2.gz YTZIEVGNRLOQKW-UHFFFAOYSA-N -1 1 418.375 4.022 20 0 HIADMM Cc1ccc(C(=O)N2CC3(C2)CCCC3)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000428304320 857146652 /nfs/dbraw/zinc/14/66/52/857146652.db2.gz XGQXYBMECWBBIS-UHFFFAOYSA-N -1 1 418.946 4.465 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)N[C@@H]1CCCC1(C)C ZINC000428326350 857155122 /nfs/dbraw/zinc/15/51/22/857155122.db2.gz JCEDQXCESXOXCT-HXUWFJFHSA-N -1 1 415.559 4.208 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000428546159 857255794 /nfs/dbraw/zinc/25/57/94/857255794.db2.gz WQYBIQUJJOBANQ-OAQYLSRUSA-N -1 1 402.498 4.022 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C3(C)CCCC3)c2)cc1F ZINC000428707205 857304464 /nfs/dbraw/zinc/30/44/64/857304464.db2.gz KFZWMBHUKKTQKY-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H](C)Cc1ccsc1 ZINC000428856234 857374156 /nfs/dbraw/zinc/37/41/56/857374156.db2.gz KZJSZJHHQDJCJE-OAHLLOKOSA-N -1 1 410.543 4.026 20 0 HIADMM COc1ccc(-c2cc3[n-]c(CN4CCC[C@H](CSC)C4)nc(=O)c3s2)cc1 ZINC000429287842 857592129 /nfs/dbraw/zinc/59/21/29/857592129.db2.gz VRFLBQGVROPRLV-AWEZNQCLSA-N -1 1 415.584 4.235 20 0 HIADMM CCOc1cc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc(Cl)c1[O-] ZINC000430454924 858173841 /nfs/dbraw/zinc/17/38/41/858173841.db2.gz NOYSALPYHIKVOS-KNQAVFIVSA-N -1 1 421.896 4.087 20 0 HIADMM Cc1nsc(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000431245610 858527665 /nfs/dbraw/zinc/52/76/65/858527665.db2.gz KEGDEWMSCHWTHE-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1 ZINC000431272586 858542074 /nfs/dbraw/zinc/54/20/74/858542074.db2.gz XVJRQQBCXXWZKU-OCCSQVGLSA-N -1 1 421.868 4.192 20 0 HIADMM C[C@H](C(=O)Nc1cc([O-])c(Br)cc1Br)N1CCCCCC1 ZINC000431441499 858616948 /nfs/dbraw/zinc/61/69/48/858616948.db2.gz BDEQZHQQMJFMHQ-SNVBAGLBSA-N -1 1 420.145 4.120 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1cc(F)cc(F)c1 ZINC000431447375 858620746 /nfs/dbraw/zinc/62/07/46/858620746.db2.gz UXECXHALNQXLDT-UHFFFAOYSA-N -1 1 407.008 4.448 20 0 HIADMM CC(C)(C)n1cc(C(=O)Nc2cc([O-])c(Br)cc2Br)cn1 ZINC000431450391 858622789 /nfs/dbraw/zinc/62/27/89/858622789.db2.gz UDPNGVMVDXEOOZ-UHFFFAOYSA-N -1 1 417.101 4.121 20 0 HIADMM CN(C)c1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)cc1 ZINC000431454802 858624490 /nfs/dbraw/zinc/62/44/90/858624490.db2.gz GHUXKIMJIFGLHZ-UHFFFAOYSA-N -1 1 414.097 4.236 20 0 HIADMM O=C(Cc1ccc(F)c(F)c1)Nc1cc([O-])c(Br)cc1Br ZINC000431461265 858628558 /nfs/dbraw/zinc/62/85/58/858628558.db2.gz UDTXOVUDWYPBEJ-UHFFFAOYSA-N -1 1 421.035 4.377 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1noc(Cc2ccccc2)n1 ZINC000431896938 858860332 /nfs/dbraw/zinc/86/03/32/858860332.db2.gz VNLASPMGXXGMIR-LLVKDONJSA-N -1 1 412.298 4.007 20 0 HIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cn1 ZINC000431925721 858873311 /nfs/dbraw/zinc/87/33/11/858873311.db2.gz TUZBVEJTUIYWIC-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CO[C@H]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000432068554 858966020 /nfs/dbraw/zinc/96/60/20/858966020.db2.gz WFBKRVFPLPJJES-KSSFIOAISA-N -1 1 422.934 4.285 20 0 HIADMM O=S(=O)([N-]c1ccccc1-c1cn[nH]c1)c1ccc(Cl)c(Br)c1 ZINC000432075408 858970396 /nfs/dbraw/zinc/97/03/96/858970396.db2.gz JMKOTSFSHBTGRU-UHFFFAOYSA-N -1 1 412.696 4.293 20 0 HIADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000432194201 859040835 /nfs/dbraw/zinc/04/08/35/859040835.db2.gz ZTFANNDWSMMJGD-UHFFFAOYSA-N -1 1 407.385 4.061 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4cscn4)no3)cc2)c1C ZINC000432691595 859297407 /nfs/dbraw/zinc/29/74/07/859297407.db2.gz ZQWJQGOSZMQJIJ-UHFFFAOYSA-N -1 1 412.496 4.278 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cncn2)cc1C(C)C ZINC000432762877 859341196 /nfs/dbraw/zinc/34/11/96/859341196.db2.gz LAWDJBCNFRRJDB-UHFFFAOYSA-N -1 1 420.922 4.162 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C)n3)cc2)cc1C(C)C ZINC000432767674 859347369 /nfs/dbraw/zinc/34/73/69/859347369.db2.gz UMPWICOUSDJCJB-UHFFFAOYSA-N -1 1 400.504 4.021 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)cc1Cl ZINC000432769057 859348801 /nfs/dbraw/zinc/34/88/01/859348801.db2.gz QNMXFZPXTCINQJ-MRXNPFEDSA-N -1 1 411.907 4.016 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(Cl)c(OC)cc3C)cc2)o1 ZINC000432772567 859353201 /nfs/dbraw/zinc/35/32/01/859353201.db2.gz VVLJHEHYPHFMCN-UHFFFAOYSA-N -1 1 407.879 4.070 20 0 HIADMM CN(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc(C3CC3)no2)cc1 ZINC000432781312 859357497 /nfs/dbraw/zinc/35/74/97/859357497.db2.gz NQXDCJAQDKDAKW-UHFFFAOYSA-N -1 1 418.906 4.134 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c(=O)[n-]1 ZINC000432861284 859393279 /nfs/dbraw/zinc/39/32/79/859393279.db2.gz WBOPLXMPWXKRMY-QGZVFWFLSA-N -1 1 407.486 4.177 20 0 HIADMM O=S(=O)([N-]CCc1cc2ccccc2[nH]1)c1c(Cl)cccc1C(F)(F)F ZINC000433437585 859704301 /nfs/dbraw/zinc/70/43/01/859704301.db2.gz QPWUBJKYEPCXHA-UHFFFAOYSA-N -1 1 402.825 4.361 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1 ZINC000433489903 859730144 /nfs/dbraw/zinc/73/01/44/859730144.db2.gz FQLWNYVZRHVWJM-UHFFFAOYSA-N -1 1 406.935 4.329 20 0 HIADMM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1Cl ZINC000433524812 859755189 /nfs/dbraw/zinc/75/51/89/859755189.db2.gz LQOKTOQWXVFEHR-UHFFFAOYSA-N -1 1 420.712 4.234 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3cccc4ccsc43)c2)n1 ZINC000433562277 859780125 /nfs/dbraw/zinc/78/01/25/859780125.db2.gz AJXQCNVRUJCPGF-UHFFFAOYSA-N -1 1 421.482 4.185 20 0 HIADMM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc(Br)sc2Cl)n1 ZINC000433645351 859822276 /nfs/dbraw/zinc/82/22/76/859822276.db2.gz BYSHRMCMLRAAMH-UHFFFAOYSA-N -1 1 415.787 4.143 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3cccc(O)c3)c2)c1 ZINC000433929549 859979040 /nfs/dbraw/zinc/97/90/40/859979040.db2.gz FKWHGUISXJMJDI-QGZVFWFLSA-N -1 1 424.522 4.335 20 0 HIADMM CC(C)N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000434234858 860218312 /nfs/dbraw/zinc/21/83/12/860218312.db2.gz FQRLZDQBVZYEJE-UHFFFAOYSA-N -1 1 415.342 4.204 20 0 HIADMM CCSCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000434281499 860249278 /nfs/dbraw/zinc/24/92/78/860249278.db2.gz QZFYCQDQBSLIJF-QGZVFWFLSA-N -1 1 420.600 4.400 20 0 HIADMM CN(Cc1cc(Cl)ccc1F)C(=O)c1ccc(I)c([O-])c1 ZINC000434344091 860302329 /nfs/dbraw/zinc/30/23/29/860302329.db2.gz YWPFKUGCMRUYRP-UHFFFAOYSA-N -1 1 419.621 4.062 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000434664168 860451621 /nfs/dbraw/zinc/45/16/21/860451621.db2.gz IZRHSYZKEGQVJN-OAQYLSRUSA-N -1 1 416.525 4.137 20 0 HIADMM C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000435141820 860662527 /nfs/dbraw/zinc/66/25/27/860662527.db2.gz CFGMIYXKSIPOLM-HXOBKFHXSA-N -1 1 409.489 4.142 20 0 HIADMM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1c(Cl)cc(F)cc1Cl ZINC000435432709 860797266 /nfs/dbraw/zinc/79/72/66/860797266.db2.gz OJNAOJJVTIPNNH-UHFFFAOYSA-N -1 1 422.280 4.256 20 0 HIADMM CCCCn1ncc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000435572561 860890620 /nfs/dbraw/zinc/89/06/20/860890620.db2.gz AYWCTHLCKZHZHH-UHFFFAOYSA-N -1 1 412.515 4.045 20 0 HIADMM C[C@@H]1[C@@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000435604056 860906830 /nfs/dbraw/zinc/90/68/30/860906830.db2.gz BXHGVDDFDRBGHN-JJEOQYAHSA-N -1 1 420.534 4.153 20 0 HIADMM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000467793553 881616230 /nfs/dbraw/zinc/61/62/30/881616230.db2.gz VOQMTLGUMXDQEK-LSDHHAIUSA-N -1 1 416.362 4.018 20 0 HIADMM C[C@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)C1(F)F ZINC000438047556 863411954 /nfs/dbraw/zinc/41/19/54/863411954.db2.gz DCGCAKNVXOMKMZ-VFZGTOFNSA-N -1 1 418.824 4.120 20 0 HIADMM CS[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438065413 863437866 /nfs/dbraw/zinc/43/78/66/863437866.db2.gz MSTRGANTINYYTG-LLVKDONJSA-N -1 1 416.927 4.360 20 0 HIADMM CC(C)(C)OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438066077 863445002 /nfs/dbraw/zinc/44/50/02/863445002.db2.gz YRUDBPGLZDHQBM-UHFFFAOYSA-N -1 1 414.886 4.034 20 0 HIADMM CCC(CC)c1nnc([N-]C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)s1 ZINC000467830564 881663584 /nfs/dbraw/zinc/66/35/84/881663584.db2.gz NLXYHSWARCOVAL-UHFFFAOYSA-N -1 1 421.569 4.588 20 0 HIADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000467835027 881669515 /nfs/dbraw/zinc/66/95/15/881669515.db2.gz OMMHNIJBTTVJER-CHWSQXEVSA-N -1 1 410.898 4.293 20 0 HIADMM O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccc(Br)c(F)c1 ZINC000438753423 864245285 /nfs/dbraw/zinc/24/52/85/864245285.db2.gz IAGKVFNYWCIPAD-UHFFFAOYSA-N -1 1 412.202 4.494 20 0 HIADMM O=S(=O)([N-]c1cc(Br)cc(C(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000438757706 864250536 /nfs/dbraw/zinc/25/05/36/864250536.db2.gz SOHPYRDOXYTNTA-UHFFFAOYSA-N -1 1 422.222 4.299 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC000438764823 864258836 /nfs/dbraw/zinc/25/88/36/864258836.db2.gz GIDOHLQQGWEEIE-UHFFFAOYSA-N -1 1 403.891 4.165 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)cc1 ZINC000438774252 864269967 /nfs/dbraw/zinc/26/99/67/864269967.db2.gz DODHWTYEZORNPH-HHHXNRCGSA-N -1 1 421.584 4.373 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)sc3c2)ccc1F ZINC000438780421 864274597 /nfs/dbraw/zinc/27/45/97/864274597.db2.gz XNWHZVYLMNGEDZ-UHFFFAOYSA-N -1 1 421.519 4.492 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438790974 864282708 /nfs/dbraw/zinc/28/27/08/864282708.db2.gz BCUNPNCZPAWPEG-CQSZACIVSA-N -1 1 404.507 4.115 20 0 HIADMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C)c(Br)c3)ccc2o1 ZINC000438791034 864283242 /nfs/dbraw/zinc/28/32/42/864283242.db2.gz IZDFNDYCBPMFCW-UHFFFAOYSA-N -1 1 424.272 4.091 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)cc1 ZINC000438796010 864287465 /nfs/dbraw/zinc/28/74/65/864287465.db2.gz ZFKMONPPSCQLJF-UHFFFAOYSA-N -1 1 410.495 4.300 20 0 HIADMM COCc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000438797201 864290022 /nfs/dbraw/zinc/29/00/22/864290022.db2.gz OVDZQYJXMSOSOM-UHFFFAOYSA-N -1 1 424.238 4.415 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438802117 864293006 /nfs/dbraw/zinc/29/30/06/864293006.db2.gz UYOCWCBLZSMJCK-GASCZTMLSA-N -1 1 418.534 4.361 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1Cl ZINC000438808044 864298586 /nfs/dbraw/zinc/29/85/86/864298586.db2.gz IKNGFAJBBOJOLB-UHFFFAOYSA-N -1 1 411.907 4.005 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)c1nc(-c2cccc(F)c2)no1 ZINC000439005634 864458453 /nfs/dbraw/zinc/45/84/53/864458453.db2.gz SRCOYHNGSVJQAH-NSHDSACASA-N -1 1 409.508 4.274 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)cc1OCC ZINC000467923808 881797359 /nfs/dbraw/zinc/79/73/59/881797359.db2.gz BJEBNBWMPGYOKZ-UHFFFAOYSA-N -1 1 402.472 4.248 20 0 HIADMM O=C(NC1CC1)c1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1Cl ZINC000439570633 864893619 /nfs/dbraw/zinc/89/36/19/864893619.db2.gz MARDVNBFPYXWKT-UHFFFAOYSA-N -1 1 400.887 4.186 20 0 HIADMM O=C(NCc1cccs1)c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1Cl ZINC000439577017 864898346 /nfs/dbraw/zinc/89/83/46/864898346.db2.gz WIIINSOIWPREAG-UHFFFAOYSA-N -1 1 424.906 4.271 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000439973348 865265997 /nfs/dbraw/zinc/26/59/97/865265997.db2.gz SIIJRFDUJYNKBY-VFNWGFHPSA-N -1 1 422.431 4.284 20 0 HIADMM CCc1c([N-]S(=O)(=O)c2cccc(F)c2)n[nH]c1-c1ccc(Br)cc1 ZINC000440097930 865359034 /nfs/dbraw/zinc/35/90/34/865359034.db2.gz IMKJNTJOBZIOTL-UHFFFAOYSA-N -1 1 424.295 4.342 20 0 HIADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(OCc4cccnc4)c3)ccc2O1 ZINC000440298045 865554602 /nfs/dbraw/zinc/55/46/02/865554602.db2.gz SYEAADQTAVSZNH-UHFFFAOYSA-N -1 1 410.495 4.175 20 0 HIADMM Cc1ccc(Sc2nsc([N-]C(=O)c3csc(-c4cnccn4)n3)n2)cc1 ZINC000440314670 865582287 /nfs/dbraw/zinc/58/22/87/865582287.db2.gz KTQCKNXWCIGJDL-UHFFFAOYSA-N -1 1 412.525 4.164 20 0 HIADMM CCc1cnc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)s1 ZINC000440344830 865623428 /nfs/dbraw/zinc/62/34/28/865623428.db2.gz XPAJZBPMXCBSCB-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM Cc1ccc(NC(=O)CC[C@H]2CC[C@H](C)O2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000440393230 865684673 /nfs/dbraw/zinc/68/46/73/865684673.db2.gz UTMPJBHXMBVTNA-QFBILLFUSA-N -1 1 402.516 4.082 20 0 HIADMM COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000440796244 865918627 /nfs/dbraw/zinc/91/86/27/865918627.db2.gz KOTGGQWMOOFYRI-MRXNPFEDSA-N -1 1 413.477 4.432 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)cc1 ZINC000440821253 865936990 /nfs/dbraw/zinc/93/69/90/865936990.db2.gz QNURDKPTSRIOBC-UHFFFAOYSA-N -1 1 407.495 4.358 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H](C)CC[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000440863027 865962135 /nfs/dbraw/zinc/96/21/35/865962135.db2.gz WQTQLIMQSMEGNY-GOEBONIOSA-N -1 1 404.507 4.196 20 0 HIADMM O=S(=O)([N-]c1cccc(CCC(F)(F)F)c1)c1ccc2c(c1)OCCCO2 ZINC000441757023 866837572 /nfs/dbraw/zinc/83/75/72/866837572.db2.gz WHGZWRQLMAKFDL-UHFFFAOYSA-N -1 1 401.406 4.144 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)c3cccnc3)ccc2C)c1 ZINC000468202522 882081861 /nfs/dbraw/zinc/08/18/61/882081861.db2.gz SIUPWMGTPOQPOT-KRWDZBQOSA-N -1 1 409.511 4.241 20 0 HIADMM CC(C)(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000442847829 867696934 /nfs/dbraw/zinc/69/69/34/867696934.db2.gz DLNKUZINDPHOQK-UHFFFAOYSA-N -1 1 403.525 4.213 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4ccoc4c3)cc2)cc1 ZINC000442922694 867740968 /nfs/dbraw/zinc/74/09/68/867740968.db2.gz LITSSMIDPINODS-UHFFFAOYSA-N -1 1 422.462 4.495 20 0 HIADMM COc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)cc(Cl)c1[O-] ZINC000442933399 867750026 /nfs/dbraw/zinc/75/00/26/867750026.db2.gz FGPGHGDHFQFYSW-UHFFFAOYSA-N -1 1 413.905 4.160 20 0 HIADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1)O[C@H](C)C2 ZINC000442969334 867769142 /nfs/dbraw/zinc/76/91/42/867769142.db2.gz ROEFPPZZGPYCJC-HYSWKAIVSA-N -1 1 417.889 4.062 20 0 HIADMM COc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc(Cl)c1[O-] ZINC000443044074 867800752 /nfs/dbraw/zinc/80/07/52/867800752.db2.gz BPFKANLKOHRCLV-SNVBAGLBSA-N -1 1 405.813 4.043 20 0 HIADMM COc1cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000443063612 867806569 /nfs/dbraw/zinc/80/65/69/867806569.db2.gz ZCFYCTVBIJFWMR-RDJZCZTQSA-N -1 1 413.276 4.022 20 0 HIADMM COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000443063611 867806788 /nfs/dbraw/zinc/80/67/88/867806788.db2.gz ZCFYCTVBIJFWMR-NVXWUHKLSA-N -1 1 413.276 4.022 20 0 HIADMM COc1cc(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cc(Cl)c1[O-] ZINC000443084002 867814695 /nfs/dbraw/zinc/81/46/95/867814695.db2.gz GLOWXBWINBOIMX-UHFFFAOYSA-N -1 1 422.268 4.423 20 0 HIADMM COc1cc(C(=O)N2CCc3c(Br)ccc(F)c3C2)cc(Cl)c1[O-] ZINC000443120413 867830149 /nfs/dbraw/zinc/83/01/49/867830149.db2.gz UCAQDCUUBUNMSV-UHFFFAOYSA-N -1 1 414.658 4.154 20 0 HIADMM CCOc1cc(-c2nc(-c3cccc(-n4c(C)c[nH]c4=O)c3)no2)cc(Cl)c1[O-] ZINC000443208161 867874996 /nfs/dbraw/zinc/87/49/96/867874996.db2.gz NFPJOSXSWPRDRY-UHFFFAOYSA-N -1 1 412.833 4.361 20 0 HIADMM COc1cc(-c2nc(-c3ccc4c(c3)[C@H](SC)C(=O)N4)no2)cc(Cl)c1[O-] ZINC000443210768 867876499 /nfs/dbraw/zinc/87/64/99/867876499.db2.gz WRISPLBDFRPXKK-HNNXBMFYSA-N -1 1 403.847 4.127 20 0 HIADMM CCOc1cc(-c2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)cc(Cl)c1[O-] ZINC000443226474 867882038 /nfs/dbraw/zinc/88/20/38/867882038.db2.gz VWDHVRHIYCAIBO-UHFFFAOYSA-N -1 1 419.840 4.137 20 0 HIADMM COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc(Cl)c1[O-] ZINC000443312486 867899590 /nfs/dbraw/zinc/89/95/90/867899590.db2.gz VCALHHYOTUFNSX-UHFFFAOYSA-N -1 1 400.818 4.460 20 0 HIADMM COc1cc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc(Cl)c1[O-] ZINC000443321531 867904436 /nfs/dbraw/zinc/90/44/36/867904436.db2.gz NRUMYOXQAWHNBN-MRXNPFEDSA-N -1 1 415.795 4.287 20 0 HIADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1cc2ccccc2o1 ZINC000443386522 867947050 /nfs/dbraw/zinc/94/70/50/867947050.db2.gz MCQLCLGEAQXJHW-SNVBAGLBSA-N -1 1 407.207 4.234 20 0 HIADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000443408318 867990089 /nfs/dbraw/zinc/99/00/89/867990089.db2.gz SILKATGTWUZBCE-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000443420064 868003371 /nfs/dbraw/zinc/00/33/71/868003371.db2.gz SIXUBQZGBKYATN-UHFFFAOYSA-N -1 1 401.301 4.072 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c(C)c(OC)c1 ZINC000443420499 868004562 /nfs/dbraw/zinc/00/45/62/868004562.db2.gz UQWZEZGJKJUSBA-UHFFFAOYSA-N -1 1 420.712 4.229 20 0 HIADMM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000443485698 868067057 /nfs/dbraw/zinc/06/70/57/868067057.db2.gz GLBUQKRWDRDCQQ-GFCCVEGCSA-N -1 1 408.372 4.136 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCC2(CCC2)C1 ZINC000468256881 882167408 /nfs/dbraw/zinc/16/74/08/882167408.db2.gz JKTAZIZQWQSGTR-UHFFFAOYSA-N -1 1 422.909 4.296 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1coc(Br)c1 ZINC000444356144 868781523 /nfs/dbraw/zinc/78/15/23/868781523.db2.gz CKOVWYAOUQBYSR-UHFFFAOYSA-N -1 1 407.264 4.063 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccc([C@@H]2CCOC2)c1 ZINC000444358757 868785688 /nfs/dbraw/zinc/78/56/88/868785688.db2.gz ARQSXNBTXIGLEI-GOSISDBHSA-N -1 1 408.498 4.211 20 0 HIADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CCO1 ZINC000444375918 868799959 /nfs/dbraw/zinc/79/99/59/868799959.db2.gz QXGWHYCRTHSRLV-KKSFZXQISA-N -1 1 402.535 4.235 20 0 HIADMM O=C(CCc1nc2ccccc2o1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444376834 868800965 /nfs/dbraw/zinc/80/09/65/868800965.db2.gz UXKVATXAZRGZPM-UHFFFAOYSA-N -1 1 407.470 4.167 20 0 HIADMM CC(C)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000444378645 868801122 /nfs/dbraw/zinc/80/11/22/868801122.db2.gz JRILGKWNPDIFBP-INIZCTEOSA-N -1 1 422.497 4.274 20 0 HIADMM O=C(Cc1cccc2cccnc21)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444393362 868806730 /nfs/dbraw/zinc/80/67/30/868806730.db2.gz QURJGLWUSHNSNH-UHFFFAOYSA-N -1 1 403.482 4.184 20 0 HIADMM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000444415372 868818680 /nfs/dbraw/zinc/81/86/80/868818680.db2.gz XPHVMELGBPJVIY-GTNSWQLSSA-N -1 1 410.695 4.410 20 0 HIADMM COc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000444418092 868819635 /nfs/dbraw/zinc/81/96/35/868819635.db2.gz SGLFBDHRUFBUII-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000444469506 868841790 /nfs/dbraw/zinc/84/17/90/868841790.db2.gz UADPEPZYHCYZGF-WMZOPIPTSA-N -1 1 410.562 4.454 20 0 HIADMM CCOc1cc(-c2nc(CC(=O)Nc3cccc4ncccc43)no2)cc(Cl)c1[O-] ZINC000445280979 869328709 /nfs/dbraw/zinc/32/87/09/869328709.db2.gz KALAJSDHPIJBBW-UHFFFAOYSA-N -1 1 424.844 4.224 20 0 HIADMM COc1cc(-c2noc(Cc3c[nH]c4cc(F)ccc34)n2)cc(Br)c1[O-] ZINC000445389922 869475957 /nfs/dbraw/zinc/47/59/57/869475957.db2.gz FVPHJSYBSZSIBF-UHFFFAOYSA-N -1 1 418.222 4.425 20 0 HIADMM COc1cc(-c2noc(COc3ccccc3Cl)n2)cc(Br)c1[O-] ZINC000445392293 869478336 /nfs/dbraw/zinc/47/83/36/869478336.db2.gz MUIKBVQJWZUMSD-UHFFFAOYSA-N -1 1 411.639 4.446 20 0 HIADMM COc1cc(-c2noc(COc3cc(C)ccc3C)n2)cc(Br)c1[O-] ZINC000445392338 869478585 /nfs/dbraw/zinc/47/85/85/869478585.db2.gz MWHFFGZZEWGMOQ-UHFFFAOYSA-N -1 1 405.248 4.409 20 0 HIADMM COc1cc(-c2noc(C3=Cc4cc(F)ccc4OC3)n2)cc(Br)c1[O-] ZINC000445392855 869478635 /nfs/dbraw/zinc/47/86/35/869478635.db2.gz OWCHDYUGSKJVBM-UHFFFAOYSA-N -1 1 419.206 4.285 20 0 HIADMM COc1ccccc1CCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445394419 869480476 /nfs/dbraw/zinc/48/04/76/869480476.db2.gz RIIBHFPSCUVVRS-UHFFFAOYSA-N -1 1 405.248 4.007 20 0 HIADMM COc1cc(-c2noc(COc3cccc(Cl)c3)n2)cc(Br)c1[O-] ZINC000445397209 869482823 /nfs/dbraw/zinc/48/28/23/869482823.db2.gz FDIUOZJYPAOVMO-UHFFFAOYSA-N -1 1 411.639 4.446 20 0 HIADMM COc1cc(-c2noc(COc3cc(C)ccc3F)n2)cc(Br)c1[O-] ZINC000445398687 869483922 /nfs/dbraw/zinc/48/39/22/869483922.db2.gz XPQDTWQRJBHKCV-UHFFFAOYSA-N -1 1 409.211 4.240 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CCCN(C(=O)[C@@H](C)CC)C3)n2)cc(Cl)c1[O-] ZINC000445406449 869490831 /nfs/dbraw/zinc/49/08/31/869490831.db2.gz JRDUEEHZRKCJMS-STQMWFEESA-N -1 1 407.898 4.246 20 0 HIADMM COc1cc(-c2noc(CSCc3ccncc3)n2)cc(Br)c1[O-] ZINC000445407232 869491863 /nfs/dbraw/zinc/49/18/63/869491863.db2.gz ZCKYNCMNHQJPIY-UHFFFAOYSA-N -1 1 408.277 4.042 20 0 HIADMM CCOc1cc(-c2noc(-c3sc(-c4cnn(C)c4)nc3C)n2)cc(Cl)c1[O-] ZINC000445409269 869493384 /nfs/dbraw/zinc/49/33/84/869493384.db2.gz SUKMIDRMGXBJSS-UHFFFAOYSA-N -1 1 417.878 4.327 20 0 HIADMM CCOc1cc(-c2noc(C[C@H]3COc4cc(OC)ccc43)n2)cc(Cl)c1[O-] ZINC000445431797 869516780 /nfs/dbraw/zinc/51/67/80/869516780.db2.gz PWCMBUKNQLYVDO-LBPRGKRZSA-N -1 1 402.834 4.222 20 0 HIADMM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000445445213 869526272 /nfs/dbraw/zinc/52/62/72/869526272.db2.gz IIJQUVSHWFNMQU-CQSZACIVSA-N -1 1 415.852 4.183 20 0 HIADMM CCOc1ccc(-c2noc(CCc3nc(-c4ccc([O-])cc4Cl)no3)n2)cc1 ZINC000445449352 869530214 /nfs/dbraw/zinc/53/02/14/869530214.db2.gz OCJSNTIEWDUVBV-UHFFFAOYSA-N -1 1 412.833 4.330 20 0 HIADMM O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000445454595 869532207 /nfs/dbraw/zinc/53/22/07/869532207.db2.gz MKPZDWTXNKVSNU-ZDUSSCGKSA-N -1 1 401.825 4.255 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccoc4)no3)c2)cc1 ZINC000445459743 869535672 /nfs/dbraw/zinc/53/56/72/869535672.db2.gz GQSUDUPSGQQAGU-UHFFFAOYSA-N -1 1 411.439 4.196 20 0 HIADMM O=C(Nc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1)[C@H]1Cc2ccccc2O1 ZINC000445458729 869536004 /nfs/dbraw/zinc/53/60/04/869536004.db2.gz VGTGKULCVVIBKU-HXUWFJFHSA-N -1 1 417.396 4.191 20 0 HIADMM O=C1CCCN1c1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc(C(F)(F)F)c1 ZINC000445461034 869537284 /nfs/dbraw/zinc/53/72/84/869537284.db2.gz DTENFWISPUFCOI-UHFFFAOYSA-N -1 1 407.323 4.394 20 0 HIADMM O=S(=O)(Nc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1)c1ccccc1 ZINC000445465669 869540658 /nfs/dbraw/zinc/54/06/58/869540658.db2.gz SFPGDEANGLNEKC-UHFFFAOYSA-N -1 1 411.414 4.049 20 0 HIADMM O=S(=O)(c1ccc(Cl)cc1)C1(c2nc(-c3ccc([O-])c(F)c3)no2)CCCC1 ZINC000445474559 869547760 /nfs/dbraw/zinc/54/77/60/869547760.db2.gz QQDGBODFRHXIFE-UHFFFAOYSA-N -1 1 422.865 4.478 20 0 HIADMM O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000445475675 869549052 /nfs/dbraw/zinc/54/90/52/869549052.db2.gz UUPQNPCHVSPOTJ-AWEZNQCLSA-N -1 1 401.825 4.255 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc([C@H]4CCCOC4)no3)cc2)c1 ZINC000445533204 869588791 /nfs/dbraw/zinc/58/87/91/869588791.db2.gz RBKYAXMUGKHXQV-KRWDZBQOSA-N -1 1 413.499 4.048 20 0 HIADMM CC(C)(C)n1cc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)cn1 ZINC000445632387 869700181 /nfs/dbraw/zinc/70/01/81/869700181.db2.gz QEEXYJBOGTTWEO-UHFFFAOYSA-N -1 1 423.498 4.156 20 0 HIADMM COC[C@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000445652558 869724106 /nfs/dbraw/zinc/72/41/06/869724106.db2.gz KYLQTNLUEATFQQ-CYBMUJFWSA-N -1 1 410.923 4.060 20 0 HIADMM O=C(CCSc1ccccn1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000445850563 869857961 /nfs/dbraw/zinc/85/79/61/869857961.db2.gz UGXDDPIUHQMYLW-UHFFFAOYSA-N -1 1 413.524 4.003 20 0 HIADMM Cc1ccc(NC(=O)Cc2ccc(F)cc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000445852056 869858485 /nfs/dbraw/zinc/85/84/85/869858485.db2.gz NYQXJZOGKYSKBL-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM COc1cc(-c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)cc(Cl)c1[O-] ZINC000446003988 869967881 /nfs/dbraw/zinc/96/78/81/869967881.db2.gz LPAZHLUHCGMVRW-UHFFFAOYSA-N -1 1 415.755 4.031 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000446379928 870287982 /nfs/dbraw/zinc/28/79/82/870287982.db2.gz ZLOBARTVMVFRGE-LLVKDONJSA-N -1 1 407.301 4.169 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccccc2F)C2CCCC2)c(=O)[n-]1 ZINC000446439015 870358512 /nfs/dbraw/zinc/35/85/12/870358512.db2.gz UFKNYGPVCCGDTN-IBGZPJMESA-N -1 1 403.523 4.332 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C(C)C)C3)cc2)c1C ZINC000446518491 870436444 /nfs/dbraw/zinc/43/64/44/870436444.db2.gz QCQUXNRUEWNFCU-LJQANCHMSA-N -1 1 400.544 4.222 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](C(C)C)C3)c2)cc1 ZINC000446519257 870438072 /nfs/dbraw/zinc/43/80/72/870438072.db2.gz GJGKOBFHJXIBAR-GOSISDBHSA-N -1 1 416.543 4.004 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cccnc2-c2csc(C)c2)c(=O)[n-]1 ZINC000446614383 870516632 /nfs/dbraw/zinc/51/66/32/870516632.db2.gz ZTRCFTVXYCWQNB-UHFFFAOYSA-N -1 1 400.529 4.216 20 0 HIADMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2ncco2)c1 ZINC000446641378 870552367 /nfs/dbraw/zinc/55/23/67/870552367.db2.gz DYKIDALLDSKIGY-UHFFFAOYSA-N -1 1 406.485 4.200 20 0 HIADMM COc1ccc(F)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000446664549 870577870 /nfs/dbraw/zinc/57/78/70/870577870.db2.gz BODBUMPESQFLPY-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000446823768 870739889 /nfs/dbraw/zinc/73/98/89/870739889.db2.gz PBRREPZHLRVCAD-UHFFFAOYSA-N -1 1 411.314 4.214 20 0 HIADMM C[C@H](Oc1cccc(Cl)c1)c1nnc([N-]Cc2nc3c(s2)C[C@@H](C)CC3)o1 ZINC000446881809 870801892 /nfs/dbraw/zinc/80/18/92/870801892.db2.gz VTDNZLLINQIMHA-RYUDHWBXSA-N -1 1 404.923 5.056 20 0 HIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000447280948 871176083 /nfs/dbraw/zinc/17/60/83/871176083.db2.gz YOBRJUSILDTSGT-UHFFFAOYSA-N -1 1 400.353 4.224 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC000447319542 871209710 /nfs/dbraw/zinc/20/97/10/871209710.db2.gz YHQLGNADXAUXFA-HXUWFJFHSA-N -1 1 402.498 4.272 20 0 HIADMM CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000447338531 871233315 /nfs/dbraw/zinc/23/33/15/871233315.db2.gz RTGRFSJADSYZRD-UHFFFAOYSA-N -1 1 416.930 4.361 20 0 HIADMM CC1(C)CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CCS1 ZINC000447638558 871552932 /nfs/dbraw/zinc/55/29/32/871552932.db2.gz BEOLFAQRJNCWBC-UHFFFAOYSA-N -1 1 420.481 4.280 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccc(SC(C)C)cc3)c2)n1 ZINC000447671067 871600244 /nfs/dbraw/zinc/60/02/44/871600244.db2.gz LJSSXIHHCSVJPW-UHFFFAOYSA-N -1 1 424.526 4.079 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@H](CC)c3ccc(C)cc3)c2)n1 ZINC000447677892 871608224 /nfs/dbraw/zinc/60/82/24/871608224.db2.gz IAETUAWFRIUPFW-SFHVURJKSA-N -1 1 420.513 4.157 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@@H](C)c3ccc(CC)cc3)c2)n1 ZINC000447682385 871613316 /nfs/dbraw/zinc/61/33/16/871613316.db2.gz YCHULIBPVIHDEW-MRXNPFEDSA-N -1 1 420.513 4.021 20 0 HIADMM O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000447733149 871683774 /nfs/dbraw/zinc/68/37/74/871683774.db2.gz WUKHMKTXWMLAMH-UHFFFAOYSA-N -1 1 416.502 4.358 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)ccc1OC(C)C ZINC000447790906 871723627 /nfs/dbraw/zinc/72/36/27/871723627.db2.gz DBAQSUXXZNKSSY-UHFFFAOYSA-N -1 1 405.394 4.024 20 0 HIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447789881 871724841 /nfs/dbraw/zinc/72/48/41/871724841.db2.gz UQSMDYYPBQUBSP-UHFFFAOYSA-N -1 1 404.385 4.240 20 0 HIADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000468527858 882547058 /nfs/dbraw/zinc/54/70/58/882547058.db2.gz IXVSCQZFTFTWFI-JTQLQIEISA-N -1 1 408.278 4.347 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc1OC ZINC000447864452 871788436 /nfs/dbraw/zinc/78/84/36/871788436.db2.gz QZAXLCFAORWBOF-CYBMUJFWSA-N -1 1 403.850 4.003 20 0 HIADMM CCCCn1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1C ZINC000448427503 872376791 /nfs/dbraw/zinc/37/67/91/872376791.db2.gz UBOGWKVTNCUXHM-NRFANRHFSA-N -1 1 420.513 4.094 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000448446798 872391484 /nfs/dbraw/zinc/39/14/84/872391484.db2.gz LOMVGBNKLLFWHH-UHFFFAOYSA-N -1 1 409.964 4.263 20 0 HIADMM COc1cc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc(Cl)c1[O-] ZINC000460128920 872607967 /nfs/dbraw/zinc/60/79/67/872607967.db2.gz HOQPZHSSKLXIMC-UHFFFAOYSA-N -1 1 418.704 4.386 20 0 HIADMM CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000460421712 873080802 /nfs/dbraw/zinc/08/08/02/873080802.db2.gz CWORQEBYFAYTOH-OAHLLOKOSA-N -1 1 407.495 4.480 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)cc1 ZINC000460423203 873083770 /nfs/dbraw/zinc/08/37/70/873083770.db2.gz WSCHPFFSKPSCSF-UHFFFAOYSA-N -1 1 421.522 4.164 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3nc(N4CCOCC4)sc3c2)c1 ZINC000460440948 873107703 /nfs/dbraw/zinc/10/77/03/873107703.db2.gz RCOFLYDBFFLUCD-UHFFFAOYSA-N -1 1 417.556 4.057 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000460457353 873136131 /nfs/dbraw/zinc/13/61/31/873136131.db2.gz WCBZBPYLGRPFRP-UHFFFAOYSA-N -1 1 414.449 4.077 20 0 HIADMM CCC1(CC)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCS1 ZINC000468624335 882746180 /nfs/dbraw/zinc/74/61/80/882746180.db2.gz YYTPJUMMAYHUPS-UHFFFAOYSA-N -1 1 418.584 4.235 20 0 HIADMM COC1(c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)n2)CCCC1 ZINC000460816224 873698402 /nfs/dbraw/zinc/69/84/02/873698402.db2.gz KMVMCWZBZSHMHU-UHFFFAOYSA-N -1 1 417.462 4.092 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460831990 873719563 /nfs/dbraw/zinc/71/95/63/873719563.db2.gz MLZNSNPDTGHDFJ-AWEZNQCLSA-N -1 1 418.534 4.424 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cccc1C(=O)N1CCCC1 ZINC000460833447 873721396 /nfs/dbraw/zinc/72/13/96/873721396.db2.gz XJBLVQKPFCPCOB-UHFFFAOYSA-N -1 1 400.544 4.329 20 0 HIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)cc21 ZINC000460834473 873723372 /nfs/dbraw/zinc/72/33/72/873723372.db2.gz VNVAMGQZJITQQE-HNNXBMFYSA-N -1 1 411.527 4.150 20 0 HIADMM COc1ccc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000460886861 873800076 /nfs/dbraw/zinc/80/00/76/873800076.db2.gz ZBQYBSHEUHEZRS-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000460959244 873856595 /nfs/dbraw/zinc/85/65/95/873856595.db2.gz QEXKFRHZDMDPKI-FQEVSTJZSA-N -1 1 416.518 4.196 20 0 HIADMM O=S(=O)([N-]c1cc(F)ccc1Br)c1ccc(C(F)(F)F)s1 ZINC000461116749 874041790 /nfs/dbraw/zinc/04/17/90/874041790.db2.gz YSUJDMBXEDCMAY-UHFFFAOYSA-N -1 1 404.204 4.469 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000461191775 874186240 /nfs/dbraw/zinc/18/62/40/874186240.db2.gz IMVYTNGABIWWIT-UTKZUKDTSA-N -1 1 416.525 4.137 20 0 HIADMM COCCCCc1cccnc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000461210965 874212689 /nfs/dbraw/zinc/21/26/89/874212689.db2.gz IPZMHJMETADHOR-UHFFFAOYSA-N -1 1 402.438 4.011 20 0 HIADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000461340984 874351493 /nfs/dbraw/zinc/35/14/93/874351493.db2.gz SMXHXHWYZZWZKZ-RIFZZMRRSA-N -1 1 416.518 4.325 20 0 HIADMM CCCC[C@@H](C)N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000461430624 874473485 /nfs/dbraw/zinc/47/34/85/874473485.db2.gz UGOCNOFNLMBCFM-MRXNPFEDSA-N -1 1 406.523 4.206 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000461442989 874498687 /nfs/dbraw/zinc/49/86/87/874498687.db2.gz JMRAHNKJZCBMKX-BPGAAWKESA-N -1 1 412.921 4.151 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000461486516 874548018 /nfs/dbraw/zinc/54/80/18/874548018.db2.gz KSAZPSHCIMKUJD-YWZLYKJASA-N -1 1 402.491 4.031 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1nc(C)cs1 ZINC000461567816 874666711 /nfs/dbraw/zinc/66/67/11/874666711.db2.gz SBEZDGMOVFICAW-UHFFFAOYSA-N -1 1 415.540 4.227 20 0 HIADMM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1cc(Cl)sc1Cl ZINC000462284416 875409431 /nfs/dbraw/zinc/40/94/31/875409431.db2.gz AQCVLPMREDCMBM-MRVPVSSYSA-N -1 1 400.255 4.135 20 0 HIADMM COC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000462302153 875422871 /nfs/dbraw/zinc/42/28/71/875422871.db2.gz WAEQIAKLMINYNP-CABCVRRESA-N -1 1 424.950 4.306 20 0 HIADMM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1cc(Cl)sc1Cl ZINC000462576478 875698918 /nfs/dbraw/zinc/69/89/18/875698918.db2.gz QEWRTFPNYIPSGF-UHFFFAOYSA-N -1 1 410.319 4.178 20 0 HIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000468902043 882955273 /nfs/dbraw/zinc/95/52/73/882955273.db2.gz HUTNUVPBAQQFTF-KRWDZBQOSA-N -1 1 401.388 4.309 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1nc(C(C)(C)C)no1 ZINC000462687416 875779723 /nfs/dbraw/zinc/77/97/23/875779723.db2.gz ZECXOEUFHIFCRV-QMMMGPOBSA-N -1 1 411.833 4.079 20 0 HIADMM Cc1cc(C)nc(NC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000462709350 875792931 /nfs/dbraw/zinc/79/29/31/875792931.db2.gz IWTLNNPZIPNLBU-UHFFFAOYSA-N -1 1 424.526 4.163 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000462917883 875945644 /nfs/dbraw/zinc/94/56/44/875945644.db2.gz AUROAXZNLZFJSI-HSZRJFAPSA-N -1 1 410.901 4.051 20 0 HIADMM Cc1cc(F)cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000463115484 876156765 /nfs/dbraw/zinc/15/67/65/876156765.db2.gz YQYIZYWDJKPMDB-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)C2 ZINC000463358388 876411914 /nfs/dbraw/zinc/41/19/14/876411914.db2.gz CXNNOGXYCXNNJL-QFIPXVFZSA-N -1 1 422.506 4.046 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1Cl ZINC000463531345 876607471 /nfs/dbraw/zinc/60/74/71/876607471.db2.gz HXOZKWZMGPGBBH-UHFFFAOYSA-N -1 1 411.936 4.147 20 0 HIADMM COCc1ccc(-c2nc3cc(S(=O)(=O)[N-]c4ccc(OC)cc4)ccc3[nH]2)cc1 ZINC000463920184 877039312 /nfs/dbraw/zinc/03/93/12/877039312.db2.gz OXCPXSGZOWNYRD-UHFFFAOYSA-N -1 1 423.494 4.186 20 0 HIADMM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000464040677 877178984 /nfs/dbraw/zinc/17/89/84/877178984.db2.gz JJQBFSOWQJNZGL-SFTDATJTSA-N -1 1 406.530 4.087 20 0 HIADMM CCc1cnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000464098497 877254273 /nfs/dbraw/zinc/25/42/73/877254273.db2.gz MDMAJWTYJIBKDF-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM CCc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)s1 ZINC000464109289 877264065 /nfs/dbraw/zinc/26/40/65/877264065.db2.gz OMLWFFULHLAVAP-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[C@H]1c1ccccc1 ZINC000464515525 877738754 /nfs/dbraw/zinc/73/87/54/877738754.db2.gz DHNKUDLBCNXTGV-KSFYIVLOSA-N -1 1 424.497 4.460 20 0 HIADMM CC(C)Oc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000464665087 877885299 /nfs/dbraw/zinc/88/52/99/877885299.db2.gz CZTUPEIQHXWBKN-UHFFFAOYSA-N -1 1 414.911 4.049 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000464709100 877932178 /nfs/dbraw/zinc/93/21/78/877932178.db2.gz MCSYACHIFNLKSU-KRWDZBQOSA-N -1 1 420.600 4.366 20 0 HIADMM CC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000465010139 878370526 /nfs/dbraw/zinc/37/05/26/878370526.db2.gz LYMRKQRJUXQHKF-NQIIRXRSSA-N -1 1 415.559 4.208 20 0 HIADMM Cc1ccc(NC(=O)c2ccncc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000465030594 878395444 /nfs/dbraw/zinc/39/54/44/878395444.db2.gz JHNWXZYXGHXLLH-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CCO[C@H](CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1=CCCC1 ZINC000465034589 878396628 /nfs/dbraw/zinc/39/66/28/878396628.db2.gz KHCIBVYUMDDTJJ-OAQYLSRUSA-N -1 1 414.527 4.331 20 0 HIADMM CCO[C@@H](CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1=CCCC1 ZINC000465038858 878400997 /nfs/dbraw/zinc/40/09/97/878400997.db2.gz RKFVWSVCUQHZPZ-NRFANRHFSA-N -1 1 414.527 4.331 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)c(=O)[n-]1 ZINC000465266068 878695333 /nfs/dbraw/zinc/69/53/33/878695333.db2.gz QQISSCSUZMSLLC-LJQANCHMSA-N -1 1 403.523 4.332 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000465294792 878734598 /nfs/dbraw/zinc/73/45/98/878734598.db2.gz JPIKOMHRKIJGCW-QRWLVFNGSA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000465294790 878734891 /nfs/dbraw/zinc/73/48/91/878734891.db2.gz JPIKOMHRKIJGCW-FOIQADDNSA-N -1 1 400.544 4.365 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@H]3CC)cc2)cc1 ZINC000465299058 878742272 /nfs/dbraw/zinc/74/22/72/878742272.db2.gz SBBFTKQOFPEXFP-VQIMIIECSA-N -1 1 416.543 4.147 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](CC(C)C)C3)cc2)cc1 ZINC000465300707 878744892 /nfs/dbraw/zinc/74/48/92/878744892.db2.gz BDZQIDUSUWFRCC-KRWDZBQOSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](CC(C)C)C3)c2)cc1F ZINC000465309814 878755447 /nfs/dbraw/zinc/75/54/47/878755447.db2.gz XNNNHIDYCKKHKO-KRWDZBQOSA-N -1 1 418.534 4.443 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(c2ccc(F)cc2)C2CCCC2)o1 ZINC000465487273 878927352 /nfs/dbraw/zinc/92/73/52/878927352.db2.gz PGPXLBVPMQZRTC-UHFFFAOYSA-N -1 1 408.495 4.085 20 0 HIADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000466477787 880260016 /nfs/dbraw/zinc/26/00/16/880260016.db2.gz RBVCNKCWEWABSF-UHFFFAOYSA-N -1 1 424.478 4.116 20 0 HIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466715541 880504956 /nfs/dbraw/zinc/50/49/56/880504956.db2.gz BLVGITUNQBEJKW-OAHLLOKOSA-N -1 1 403.507 4.233 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466978589 880782590 /nfs/dbraw/zinc/78/25/90/880782590.db2.gz HBWHNFPAXXHLCQ-NSHDSACASA-N -1 1 420.289 4.349 20 0 HIADMM O=C(CCCC1CCOCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000466980326 880784605 /nfs/dbraw/zinc/78/46/05/880784605.db2.gz FZNNOJKZTORPKT-UHFFFAOYSA-N -1 1 402.516 4.023 20 0 HIADMM CC[C@@H]1Oc2cc([C@@H](C)Nc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)ccc2NC1=O ZINC000467005301 880813932 /nfs/dbraw/zinc/81/39/32/880813932.db2.gz MTJVBARQPQARCM-KDOFPFPSSA-N -1 1 419.485 4.144 20 0 HIADMM Cc1ccc(NC(=O)CCCC2CCOCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000467063838 880847888 /nfs/dbraw/zinc/84/78/88/880847888.db2.gz KYXRJSQKZMXLOM-UHFFFAOYSA-N -1 1 416.543 4.331 20 0 HIADMM Cc1ccc(NC(=O)c2cnc(C)nc2C2CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000467065046 880848719 /nfs/dbraw/zinc/84/87/19/880848719.db2.gz PIFMYOBULLACBT-UHFFFAOYSA-N -1 1 422.510 4.024 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)ccc1C ZINC000467077471 880851857 /nfs/dbraw/zinc/85/18/57/880851857.db2.gz BOWLFYGXUOQOKN-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)cc1 ZINC000467084077 880853563 /nfs/dbraw/zinc/85/35/63/880853563.db2.gz WKTYHFMDXFZXPL-UHFFFAOYSA-N -1 1 423.600 4.498 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)N2CCC[C@H](C(F)(F)F)C2)nc1-c1ccccc1 ZINC000467205945 880935986 /nfs/dbraw/zinc/93/59/86/880935986.db2.gz JFGGERBQTQESBR-AWEZNQCLSA-N -1 1 411.449 4.051 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)NC2(c3ccccc3)CCC2)nc1-c1ccccc1 ZINC000467210044 880939475 /nfs/dbraw/zinc/93/94/75/880939475.db2.gz BFWCSNNFPNZXII-UHFFFAOYSA-N -1 1 405.523 4.445 20 0 HIADMM Cc1ccc(NC(=O)C2CCC(=O)CC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000467249604 880976893 /nfs/dbraw/zinc/97/68/93/880976893.db2.gz FTTNFPXXMBABCS-UHFFFAOYSA-N -1 1 420.918 4.147 20 0 HIADMM O=C(N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000467400492 881183227 /nfs/dbraw/zinc/18/32/27/881183227.db2.gz KTDWPWSOPWOEMK-IBGZPJMESA-N -1 1 407.832 4.235 20 0 HIADMM C[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2c(O)cccc21 ZINC000469221550 883320804 /nfs/dbraw/zinc/32/08/04/883320804.db2.gz KAJJLBFPJUWXDO-INIZCTEOSA-N -1 1 422.506 4.347 20 0 HIADMM COc1ccc2[nH]c(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2c1 ZINC000469230709 883329092 /nfs/dbraw/zinc/32/90/92/883329092.db2.gz QFEZJRPQFQYPNB-UHFFFAOYSA-N -1 1 421.478 4.230 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)ccc1Br ZINC000469950625 884151771 /nfs/dbraw/zinc/15/17/71/884151771.db2.gz ORQPMSDMJCJLGY-UHFFFAOYSA-N -1 1 421.320 4.035 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)n(-c2ccncc2)n1 ZINC000469977279 884190733 /nfs/dbraw/zinc/19/07/33/884190733.db2.gz RHHPALMJFAAAAT-UHFFFAOYSA-N -1 1 402.863 4.085 20 0 HIADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC[C@H]1c1ccccc1 ZINC000470193148 884497243 /nfs/dbraw/zinc/49/72/43/884497243.db2.gz IRXGGRPUARXIGT-WIYYLYMNSA-N -1 1 406.530 4.027 20 0 HIADMM CCOc1ccccc1[C@H](CC(C)C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000470250634 884584511 /nfs/dbraw/zinc/58/45/11/884584511.db2.gz NYUXJMDHFBPVSJ-SFHVURJKSA-N -1 1 417.575 4.447 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1cc(C(F)(F)F)ccc1Cl ZINC000470256072 884594622 /nfs/dbraw/zinc/59/46/22/884594622.db2.gz FODKGQSARCDYEF-UHFFFAOYSA-N -1 1 420.775 4.084 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1Br ZINC000470457359 884852315 /nfs/dbraw/zinc/85/23/15/884852315.db2.gz CQXRDCZBJWROIK-UHFFFAOYSA-N -1 1 422.304 4.039 20 0 HIADMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000470630056 885055712 /nfs/dbraw/zinc/05/57/12/885055712.db2.gz XKFXORUYZZTGNW-UHFFFAOYSA-N -1 1 414.339 4.132 20 0 HIADMM COCCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCCC1 ZINC000471223436 885797148 /nfs/dbraw/zinc/79/71/48/885797148.db2.gz GWKSQFKYBUUZRX-UHFFFAOYSA-N -1 1 416.543 4.331 20 0 HIADMM C[C@H](COc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000471235318 885809753 /nfs/dbraw/zinc/80/97/53/885809753.db2.gz SBFCALOQAMNFQO-QGZVFWFLSA-N -1 1 410.495 4.141 20 0 HIADMM CCC1(CC)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)C1 ZINC000504180778 913065660 /nfs/dbraw/zinc/06/56/60/913065660.db2.gz GPRUVKSOLJILOC-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000471921933 886710045 /nfs/dbraw/zinc/71/00/45/886710045.db2.gz KYHVSNHWHAJQAP-UHFFFAOYSA-N -1 1 404.289 4.015 20 0 HIADMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000472067911 886874433 /nfs/dbraw/zinc/87/44/33/886874433.db2.gz LEOLKLJKEDQBJT-QFIPXVFZSA-N -1 1 423.538 4.193 20 0 HIADMM Cc1ccc(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000473743644 888525651 /nfs/dbraw/zinc/52/56/51/888525651.db2.gz XIXJMKHHYIRKAJ-UHFFFAOYSA-N -1 1 423.494 4.026 20 0 HIADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1OCC1CCOCC1 ZINC000473897926 888772646 /nfs/dbraw/zinc/77/26/46/888772646.db2.gz TUQMUWYLFQLMGE-UHFFFAOYSA-N -1 1 413.518 4.154 20 0 HIADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000474192570 889030551 /nfs/dbraw/zinc/03/05/51/889030551.db2.gz CBRHWVWRKNYVBG-QRWLVFNGSA-N -1 1 404.532 4.104 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2C)c1 ZINC000504529399 913309582 /nfs/dbraw/zinc/30/95/82/913309582.db2.gz CRRVQRWFAPUCQC-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2)cccc1-c1nnc2n1CCCCC2 ZINC000504537151 913316494 /nfs/dbraw/zinc/31/64/94/913316494.db2.gz ZRTGSAYOAQYITO-UHFFFAOYSA-N -1 1 416.934 4.434 20 0 HIADMM Cc1ccc(NC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)s1 ZINC000474350795 889229244 /nfs/dbraw/zinc/22/92/44/889229244.db2.gz LHJQCHAKQNISSG-UHFFFAOYSA-N -1 1 419.503 4.318 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000474520291 889389604 /nfs/dbraw/zinc/38/96/04/889389604.db2.gz LMIGWCJCUZCAAG-UHFFFAOYSA-N -1 1 422.460 4.432 20 0 HIADMM CCS[C@H](C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(C)C ZINC000474534651 889408284 /nfs/dbraw/zinc/40/82/84/889408284.db2.gz NRPSTMDZINJNKL-IBGZPJMESA-N -1 1 424.563 4.020 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000474536662 889410447 /nfs/dbraw/zinc/41/04/47/889410447.db2.gz SZPGLXCTGCKIGJ-UHFFFAOYSA-N -1 1 418.497 4.317 20 0 HIADMM CCCOc1ccc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1OC ZINC000474536211 889410899 /nfs/dbraw/zinc/41/08/99/889410899.db2.gz DHWYPXOTTINQHK-CYBMUJFWSA-N -1 1 401.507 4.077 20 0 HIADMM CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000474585400 889456265 /nfs/dbraw/zinc/45/62/65/889456265.db2.gz LZFIWDFBQWCBHH-LBPRGKRZSA-N -1 1 400.331 4.270 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000474687286 889549475 /nfs/dbraw/zinc/54/94/75/889549475.db2.gz DGKNBUXPCGFGID-UHFFFAOYSA-N -1 1 410.493 4.428 20 0 HIADMM CCOC(=O)[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)c1cccc(C)c1C ZINC000474790670 889647238 /nfs/dbraw/zinc/64/72/38/889647238.db2.gz DRDDBWKPZWPXDU-SFHVURJKSA-N -1 1 405.878 4.095 20 0 HIADMM COc1ccc(C2(CNC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CCCCC2)cc1 ZINC000474825538 889679748 /nfs/dbraw/zinc/67/97/48/889679748.db2.gz MFIOCRYFNQQSFH-UHFFFAOYSA-N -1 1 411.546 4.429 20 0 HIADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474871556 889725740 /nfs/dbraw/zinc/72/57/40/889725740.db2.gz XQLUPOQMZLVOCH-YLJYHZDGSA-N -1 1 416.543 4.330 20 0 HIADMM CCC[C@H](CC)NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475102003 889948948 /nfs/dbraw/zinc/94/89/48/889948948.db2.gz QQZZGWNYAPEHRG-KRWDZBQOSA-N -1 1 407.511 4.004 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)[C@H]1C[C@H]1C(C)C ZINC000475322150 890242679 /nfs/dbraw/zinc/24/26/79/890242679.db2.gz ZZHOJNZFQSNOHR-IRXDYDNUSA-N -1 1 422.934 4.380 20 0 HIADMM C[C@@H](Sc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1)C(=O)[O-] ZINC000504701945 913434239 /nfs/dbraw/zinc/43/42/39/913434239.db2.gz CLTXLZBPETTYLC-MRVPVSSYSA-N -1 1 424.302 4.499 20 0 HIADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(Nc2cnn(C)c2)c1 ZINC000475751649 890698522 /nfs/dbraw/zinc/69/85/22/890698522.db2.gz YTUKJXMIZAHBDI-UHFFFAOYSA-N -1 1 421.320 4.035 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(Br)c1 ZINC000475822424 890756504 /nfs/dbraw/zinc/75/65/04/890756504.db2.gz UODIRKLOALNEDE-UHFFFAOYSA-N -1 1 410.211 4.277 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1 ZINC000475825599 890760748 /nfs/dbraw/zinc/76/07/48/890760748.db2.gz FHFWCNCXWIOOOO-UHFFFAOYSA-N -1 1 423.538 4.340 20 0 HIADMM Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cs1 ZINC000475832727 890766277 /nfs/dbraw/zinc/76/62/77/890766277.db2.gz PRSDCVXDTGCRNJ-UHFFFAOYSA-N -1 1 408.888 4.271 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)c1 ZINC000475833025 890766635 /nfs/dbraw/zinc/76/66/35/890766635.db2.gz PTFMBIIRJFTRCQ-UHFFFAOYSA-N -1 1 409.332 4.310 20 0 HIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)cc1 ZINC000475838252 890771000 /nfs/dbraw/zinc/77/10/00/890771000.db2.gz XTXWCRMHRGRIMU-UHFFFAOYSA-N -1 1 409.332 4.310 20 0 HIADMM COc1ccc(Sc2nsc([N-]C(=O)c3oc(CC4CC4)nc3C)n2)cc1 ZINC000475953333 890875443 /nfs/dbraw/zinc/87/54/43/890875443.db2.gz ICYVYPNXTGRAPM-UHFFFAOYSA-N -1 1 402.501 4.199 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000476166984 891095012 /nfs/dbraw/zinc/09/50/12/891095012.db2.gz UAZUYJBBIOMRIK-HXUWFJFHSA-N -1 1 406.507 4.117 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1 ZINC000476387580 891303436 /nfs/dbraw/zinc/30/34/36/891303436.db2.gz BJEBWPBJLLNVLK-UHFFFAOYSA-N -1 1 404.488 4.322 20 0 HIADMM Cc1c(COc2ccccc2)cccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000476398136 891315401 /nfs/dbraw/zinc/31/54/01/891315401.db2.gz OWBXNRZIRLTRDI-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3-c3cc(F)c(F)c(F)c3)cc2[nH]1 ZINC000476419675 891331223 /nfs/dbraw/zinc/33/12/23/891331223.db2.gz BBXSVRQAMGBUCA-UHFFFAOYSA-N -1 1 419.384 4.154 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)c3ccccc3)cc2)c1 ZINC000476421832 891334009 /nfs/dbraw/zinc/33/40/09/891334009.db2.gz HTRRQPZRMGNXBB-UHFFFAOYSA-N -1 1 412.486 4.140 20 0 HIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000476427968 891340942 /nfs/dbraw/zinc/34/09/42/891340942.db2.gz DGHGOGQZGNQXLL-VWLOTQADSA-N -1 1 405.463 4.002 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 ZINC000476451440 891362459 /nfs/dbraw/zinc/36/24/59/891362459.db2.gz KHPMKRADDSLXHK-UHFFFAOYSA-N -1 1 420.494 4.013 20 0 HIADMM CC1(C)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@@H]1c1ccncc1 ZINC000476463733 891376539 /nfs/dbraw/zinc/37/65/39/891376539.db2.gz VDYWZHOVPUQZJQ-OAQYLSRUSA-N -1 1 421.522 4.106 20 0 HIADMM CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])C2 ZINC000476527556 891439223 /nfs/dbraw/zinc/43/92/23/891439223.db2.gz UPNIISLIDOHOBZ-VIFPVBQESA-N -1 1 412.715 4.398 20 0 HIADMM CC(C)c1cccnc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000504862671 913592828 /nfs/dbraw/zinc/59/28/28/913592828.db2.gz HIBTTWBQWMDIRR-UHFFFAOYSA-N -1 1 413.474 4.397 20 0 HIADMM O=C(NC1(c2nn[n-]n2)CC1)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC000477030623 891956348 /nfs/dbraw/zinc/95/63/48/891956348.db2.gz MVBFKNJOOWQZLJ-UHFFFAOYSA-N -1 1 420.325 4.218 20 0 HIADMM Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000477273576 892223772 /nfs/dbraw/zinc/22/37/72/892223772.db2.gz CIGWVGIORQVLPF-UHFFFAOYSA-N -1 1 410.373 4.061 20 0 HIADMM C[C@H](CC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000477353504 892318630 /nfs/dbraw/zinc/31/86/30/892318630.db2.gz NLAPKUGXVWDEOP-OAHLLOKOSA-N -1 1 406.523 4.315 20 0 HIADMM CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000477381394 892341193 /nfs/dbraw/zinc/34/11/93/892341193.db2.gz SKBVOGJVHVPHKM-UHFFFAOYSA-N -1 1 415.515 4.168 20 0 HIADMM Cc1ccc(NC(=O)c2ccn(C)c2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000477501600 892509575 /nfs/dbraw/zinc/50/95/75/892509575.db2.gz SDLIFLNHCOPEHM-UHFFFAOYSA-N -1 1 403.891 4.040 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccn(C2CCCC2)n1 ZINC000477510196 892521524 /nfs/dbraw/zinc/52/15/24/892521524.db2.gz WNEPIZLZDNAIJJ-UHFFFAOYSA-N -1 1 410.499 4.051 20 0 HIADMM O=C(COC/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000477510516 892523032 /nfs/dbraw/zinc/52/30/32/892523032.db2.gz XEBXQCQGJSKBDJ-JXMROGBWSA-N -1 1 422.506 4.156 20 0 HIADMM CC[C@@H](C)n1ncc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1C1CC1 ZINC000477563808 892617938 /nfs/dbraw/zinc/61/79/38/892617938.db2.gz NEIJTCJDHBDVDC-CQSZACIVSA-N -1 1 420.517 4.169 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1 ZINC000477614436 892708168 /nfs/dbraw/zinc/70/81/68/892708168.db2.gz XRUSXRHCAXGJLD-UHFFFAOYSA-N -1 1 404.291 4.223 20 0 HIADMM Cc1nc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)cs1 ZINC000477792590 892870124 /nfs/dbraw/zinc/87/01/24/892870124.db2.gz GMJOSFVPGLBLNT-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(c3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000477813636 892883820 /nfs/dbraw/zinc/88/38/20/892883820.db2.gz JPNUEAXIXNLNDA-UHFFFAOYSA-N -1 1 405.951 4.205 20 0 HIADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000477832043 892894784 /nfs/dbraw/zinc/89/47/84/892894784.db2.gz CHWJIWQCPORZHV-COPCDDAFSA-N -1 1 416.537 4.205 20 0 HIADMM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc(Cl)c1[O-] ZINC000478018347 893136572 /nfs/dbraw/zinc/13/65/72/893136572.db2.gz PMNGEBSVLKAFFO-PSASIEDQSA-N -1 1 402.697 4.164 20 0 HIADMM C[C@H]1CCCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000478048317 893193444 /nfs/dbraw/zinc/19/34/44/893193444.db2.gz UTGXTUHOTLIDTR-AWEZNQCLSA-N -1 1 408.470 4.028 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478224224 893384776 /nfs/dbraw/zinc/38/47/76/893384776.db2.gz IFJRACYDHYOKMQ-UHFFFAOYSA-N -1 1 422.916 4.155 20 0 HIADMM COC1(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCC1 ZINC000478244664 893413850 /nfs/dbraw/zinc/41/38/50/893413850.db2.gz SRVNAKUMERLMIX-UHFFFAOYSA-N -1 1 408.907 4.039 20 0 HIADMM CCN(CC1CCC1)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000478303305 893522425 /nfs/dbraw/zinc/52/24/25/893522425.db2.gz KZROZESDSYQGCD-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccnc4)no3)ccc2C)c1 ZINC000505056317 913794452 /nfs/dbraw/zinc/79/44/52/913794452.db2.gz YFUQZWZHYHRVOW-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM COCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000478520418 893827662 /nfs/dbraw/zinc/82/76/62/893827662.db2.gz RSZDMAKBBPFTCO-UHFFFAOYSA-N -1 1 410.923 4.204 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(OC(F)F)cc1 ZINC000478562649 893850762 /nfs/dbraw/zinc/85/07/62/893850762.db2.gz PQYAQCSQZVLGHT-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1F ZINC000478684493 893940290 /nfs/dbraw/zinc/94/02/90/893940290.db2.gz BCCKUPSJNNIRIE-UHFFFAOYSA-N -1 1 411.813 4.359 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2cnn(C)c2)c1 ZINC000478704753 893967656 /nfs/dbraw/zinc/96/76/56/893967656.db2.gz NUGVFIKHBHWABD-UHFFFAOYSA-N -1 1 424.295 4.098 20 0 HIADMM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000505124801 913830617 /nfs/dbraw/zinc/83/06/17/913830617.db2.gz OTQLYJIJIOFIFP-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(-c4c(F)cccc4Cl)s3)nn2)c1 ZINC000478784909 894059810 /nfs/dbraw/zinc/05/98/10/894059810.db2.gz VCLZNKOZYIRICV-UHFFFAOYSA-N -1 1 414.853 4.139 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H]3c3ccccc3)cc2)cc1 ZINC000478824217 894098851 /nfs/dbraw/zinc/09/88/51/894098851.db2.gz ABQOYTQSCFAFLB-QFIPXVFZSA-N -1 1 406.507 4.383 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000478978174 894256468 /nfs/dbraw/zinc/25/64/68/894256468.db2.gz BNOCKGSNYDQXMW-RTWAWAEBSA-N -1 1 410.470 4.369 20 0 HIADMM CSCCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000479042593 894303384 /nfs/dbraw/zinc/30/33/84/894303384.db2.gz KPZNCTIPFMHKHM-UHFFFAOYSA-N -1 1 420.600 4.367 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc(Cl)c1[O-] ZINC000505178513 913864808 /nfs/dbraw/zinc/86/48/08/913864808.db2.gz HXXYFOHQIFVCCP-ROUUACIJSA-N -1 1 405.878 4.379 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(CC(F)(F)F)cc1 ZINC000479135936 894404311 /nfs/dbraw/zinc/40/43/11/894404311.db2.gz BIMKNCMUIHJVGZ-UHFFFAOYSA-N -1 1 405.348 4.406 20 0 HIADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OCCCOC)[nH]n1 ZINC000479141082 894410435 /nfs/dbraw/zinc/41/04/35/894410435.db2.gz FKMUFVPPYGJHOQ-CYBMUJFWSA-N -1 1 415.943 4.183 20 0 HIADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OCCCOC)[nH]n1 ZINC000479141083 894411196 /nfs/dbraw/zinc/41/11/96/894411196.db2.gz FKMUFVPPYGJHOQ-ZDUSSCGKSA-N -1 1 415.943 4.183 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@](C)(c2ccccc2)C(F)(F)F)cc1Cl ZINC000479161352 894430575 /nfs/dbraw/zinc/43/05/75/894430575.db2.gz QIVCXLHWQJPRKL-INIZCTEOSA-N -1 1 420.840 4.054 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(c1nccs1)C2)c1ccc2ncsc2c1 ZINC000479164017 894433187 /nfs/dbraw/zinc/43/31/87/894433187.db2.gz UMYGUEFZNRBTSI-UHFFFAOYSA-N -1 1 414.537 4.074 20 0 HIADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(SCc3cccnc3)cc1)OCO2 ZINC000479258695 894527266 /nfs/dbraw/zinc/52/72/66/894527266.db2.gz ZMJJETKDTHRDDL-UHFFFAOYSA-N -1 1 414.508 4.212 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CC2CCC2)c2ccccc2)o1 ZINC000479376624 894679125 /nfs/dbraw/zinc/67/91/25/894679125.db2.gz OINYYDAZFOMODQ-KRWDZBQOSA-N -1 1 404.532 4.018 20 0 HIADMM C[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C(F)(F)F ZINC000479387752 894689504 /nfs/dbraw/zinc/68/95/04/894689504.db2.gz RUVJNUGBYGZXET-NSHDSACASA-N -1 1 420.840 4.069 20 0 HIADMM C[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000479396720 894699239 /nfs/dbraw/zinc/69/92/39/894699239.db2.gz QLVWKSWCNJALML-LLVKDONJSA-N -1 1 420.840 4.069 20 0 HIADMM CC(C)c1occc1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000479400955 894705272 /nfs/dbraw/zinc/70/52/72/894705272.db2.gz UJPPZMPZUSHGAI-UHFFFAOYSA-N -1 1 412.511 4.476 20 0 HIADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)cc1 ZINC000479414611 894723462 /nfs/dbraw/zinc/72/34/62/894723462.db2.gz WKXCQBIKBMBPIZ-HNNXBMFYSA-N -1 1 420.506 4.040 20 0 HIADMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(OC[C@H]4CCOC4)c(F)c3)cc2c1C ZINC000479580519 894869652 /nfs/dbraw/zinc/86/96/52/894869652.db2.gz QSJDGOWISYHOAV-HNNXBMFYSA-N -1 1 419.474 4.405 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000480034605 895383485 /nfs/dbraw/zinc/38/34/85/895383485.db2.gz HFYLDIXGMMLBPX-UHFFFAOYSA-N -1 1 415.497 4.235 20 0 HIADMM Cc1nc(-c2ccc(N3C[C@H](c4ccccc4Cl)OC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000480072886 895424055 /nfs/dbraw/zinc/42/40/55/895424055.db2.gz MAKZONMVMTZHLQ-ORAYPTAESA-N -1 1 410.905 4.481 20 0 HIADMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)ccc2o1 ZINC000480175736 895566904 /nfs/dbraw/zinc/56/69/04/895566904.db2.gz CALPVYUUNGJFJS-UHFFFAOYSA-N -1 1 413.373 4.125 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)cc(Cl)c1[O-] ZINC000505322099 913982653 /nfs/dbraw/zinc/98/26/53/913982653.db2.gz BYQROIKDJQJWMF-GFCCVEGCSA-N -1 1 403.841 4.260 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1Br ZINC000480206781 895609124 /nfs/dbraw/zinc/60/91/24/895609124.db2.gz AQIQDRPFTUDFAU-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM Cc1ccc(NC(=O)COC(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000480230981 895635680 /nfs/dbraw/zinc/63/56/80/895635680.db2.gz MVYBINHLWQANKF-UHFFFAOYSA-N -1 1 410.923 4.203 20 0 HIADMM CC(C)[C@@H]1N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1(C)C ZINC000480299965 895705582 /nfs/dbraw/zinc/70/55/82/895705582.db2.gz LHGMLWYTBYMISG-IBGZPJMESA-N -1 1 422.497 4.272 20 0 HIADMM CCCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)C1CC1 ZINC000505387835 914051464 /nfs/dbraw/zinc/05/14/64/914051464.db2.gz IKBCIVDAPQKHCZ-UHFFFAOYSA-N -1 1 410.898 4.295 20 0 HIADMM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000481002276 896333980 /nfs/dbraw/zinc/33/39/80/896333980.db2.gz IGKNVMSUZXDOJI-MOPGFXCFSA-N -1 1 422.547 4.031 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)NC1(Cc2ccccc2)CC1 ZINC000481142061 896470219 /nfs/dbraw/zinc/47/02/19/896470219.db2.gz LCYSKFCSETYAIZ-UHFFFAOYSA-N -1 1 421.522 4.384 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCC3)c3ccccc32)c1 ZINC000481453933 896848987 /nfs/dbraw/zinc/84/89/87/896848987.db2.gz HRKKFBCVGAHCSC-UHFFFAOYSA-N -1 1 403.438 4.023 20 0 HIADMM COc1cc(C)c(Br)cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000481657966 897041939 /nfs/dbraw/zinc/04/19/39/897041939.db2.gz NZPQYMLZSORYGC-UHFFFAOYSA-N -1 1 402.248 4.114 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)ccc1Br ZINC000481839709 897206982 /nfs/dbraw/zinc/20/69/82/897206982.db2.gz CXOCJKBIDCMWAV-UHFFFAOYSA-N -1 1 407.289 4.115 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1Cl ZINC000481958211 897346934 /nfs/dbraw/zinc/34/69/34/897346934.db2.gz SBJLXCQMWVDLSY-UHFFFAOYSA-N -1 1 407.904 4.223 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1Cl ZINC000481968632 897359457 /nfs/dbraw/zinc/35/94/57/897359457.db2.gz FAFLBMVTYXVUFQ-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1OCC ZINC000481969626 897361007 /nfs/dbraw/zinc/36/10/07/897361007.db2.gz OFZODBSQGXQYCT-UHFFFAOYSA-N -1 1 409.479 4.355 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)cc1Cl ZINC000481979013 897372377 /nfs/dbraw/zinc/37/23/77/897372377.db2.gz SJZQRJZYTCYAAA-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CCSc1nnc([N-]C(=O)c2occc2CN2c3ccccc3C[C@H]2C)s1 ZINC000482249033 897731128 /nfs/dbraw/zinc/73/11/28/897731128.db2.gz ZDFZLMYNSBNAKD-GFCCVEGCSA-N -1 1 400.529 4.447 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(OC)cc1 ZINC000505519101 914210903 /nfs/dbraw/zinc/21/09/03/914210903.db2.gz CPWPINCVFISAMM-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM CC(C)c1ncc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cn1 ZINC000482530475 898117781 /nfs/dbraw/zinc/11/77/81/898117781.db2.gz HRJSMBPYOWRVOE-UHFFFAOYSA-N -1 1 421.682 4.110 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)c1 ZINC000482537052 898123915 /nfs/dbraw/zinc/12/39/15/898123915.db2.gz RFPJIJSKMHRQQF-RISCZKNCSA-N -1 1 403.276 4.310 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000482537972 898125241 /nfs/dbraw/zinc/12/52/41/898125241.db2.gz TVGKRYVADVUHIB-GFCCVEGCSA-N -1 1 423.344 4.104 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000482537974 898125688 /nfs/dbraw/zinc/12/56/88/898125688.db2.gz TVGKRYVADVUHIB-LBPRGKRZSA-N -1 1 423.344 4.104 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2C)cc1 ZINC000482546420 898134804 /nfs/dbraw/zinc/13/48/04/898134804.db2.gz BZJGBOMRQUSPAT-UHFFFAOYSA-N -1 1 423.538 4.423 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccccc2CSc2nc[nH]n2)c1 ZINC000482547042 898136568 /nfs/dbraw/zinc/13/65/68/898136568.db2.gz CAJOVCUCLNLLGZ-UHFFFAOYSA-N -1 1 419.304 4.126 20 0 HIADMM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000482601695 898203460 /nfs/dbraw/zinc/20/34/60/898203460.db2.gz HDPQKEGSZFWPFM-JTQLQIEISA-N -1 1 408.405 4.353 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1 ZINC000482636403 898239917 /nfs/dbraw/zinc/23/99/17/898239917.db2.gz SZKXGDKNTJWVJD-SMDDNHRTSA-N -1 1 403.276 4.310 20 0 HIADMM COc1ccc(-c2n[nH]cc2C(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482689722 898289074 /nfs/dbraw/zinc/28/90/74/898289074.db2.gz GMXWIIVFPTVLLI-UHFFFAOYSA-N -1 1 402.248 4.114 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn(C(CC)CC)c1CC ZINC000482742190 898345921 /nfs/dbraw/zinc/34/59/21/898345921.db2.gz AQOFRESRJQSVNT-UHFFFAOYSA-N -1 1 406.552 4.211 20 0 HIADMM CCc1ccnc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)n2)c1 ZINC000482749816 898355782 /nfs/dbraw/zinc/35/57/82/898355782.db2.gz UOPCQJZRYXZANE-UHFFFAOYSA-N -1 1 420.494 4.470 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccn(C(C)C)n3)c2)c1 ZINC000482811381 898421875 /nfs/dbraw/zinc/42/18/75/898421875.db2.gz SVFYHYQZAZMOTL-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)=C(C)C2)cc1 ZINC000482876607 898490821 /nfs/dbraw/zinc/49/08/21/898490821.db2.gz VEHWTYXVFJVJIH-UHFFFAOYSA-N -1 1 402.491 4.117 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCSCC[C@H]3C)c2)c1 ZINC000482949527 898576328 /nfs/dbraw/zinc/57/63/28/898576328.db2.gz WHXNKMVQECFFGD-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCSCC[C@@H]3C)cc2)cc1C ZINC000482974942 898609236 /nfs/dbraw/zinc/60/92/36/898609236.db2.gz BKKGZIFDLCLHEL-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccnc(C4CC4)n3)ccc2C)c1 ZINC000483139105 898818204 /nfs/dbraw/zinc/81/82/04/898818204.db2.gz MJGBVGWRWHXBCL-UHFFFAOYSA-N -1 1 422.510 4.024 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccc3C)c2)cc1OC ZINC000483141428 898820293 /nfs/dbraw/zinc/82/02/93/898820293.db2.gz SQBXIMZEDHKEHU-UHFFFAOYSA-N -1 1 413.495 4.392 20 0 HIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1F ZINC000483141344 898820542 /nfs/dbraw/zinc/82/05/42/898820542.db2.gz SAHLWEGCSLIVHR-UHFFFAOYSA-N -1 1 410.470 4.420 20 0 HIADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000483167760 898837229 /nfs/dbraw/zinc/83/72/29/898837229.db2.gz PTHZXJNQFJIXGB-UHFFFAOYSA-N -1 1 407.557 4.043 20 0 HIADMM Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)cc2o1 ZINC000483421634 899050499 /nfs/dbraw/zinc/05/04/99/899050499.db2.gz UGIAMQFPGHKDRL-UHFFFAOYSA-N -1 1 421.478 4.498 20 0 HIADMM CCCC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(OC)cc1 ZINC000483861578 899544755 /nfs/dbraw/zinc/54/47/55/899544755.db2.gz WJINZVCTVFOWHU-GOSISDBHSA-N -1 1 403.548 4.201 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3Nc3c(F)cccc3F)cc2[nH]1 ZINC000484090096 899722258 /nfs/dbraw/zinc/72/22/58/899722258.db2.gz YTWULXWCKHXMHB-UHFFFAOYSA-N -1 1 416.409 4.091 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(F)c(F)c(F)c1 ZINC000484671720 900113549 /nfs/dbraw/zinc/11/35/49/900113549.db2.gz WHZRTKMTOGGRKS-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)C3CCCC3)c2)cc1F ZINC000505753324 914425609 /nfs/dbraw/zinc/42/56/09/914425609.db2.gz RAFJSYGDICHWDN-OAHLLOKOSA-N -1 1 404.507 4.243 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000484918999 900294552 /nfs/dbraw/zinc/29/45/52/900294552.db2.gz MTAAAJFPSOPSJA-UHFFFAOYSA-N -1 1 406.507 4.318 20 0 HIADMM COCc1ccsc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000485157828 900456007 /nfs/dbraw/zinc/45/60/07/900456007.db2.gz BYKYZQOYSUPVLH-UHFFFAOYSA-N -1 1 416.524 4.256 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cc(Br)c(F)cc1F ZINC000485251104 900535390 /nfs/dbraw/zinc/53/53/90/900535390.db2.gz AOEGUCHOXZQETR-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000485440377 900737205 /nfs/dbraw/zinc/73/72/05/900737205.db2.gz UULOHBBLDPXTGK-UHFFFAOYSA-N -1 1 424.448 4.487 20 0 HIADMM CC(=O)Nc1cc(NC(=O)c2c([O-])cnc3c(Br)cccc32)ccc1C ZINC000485604336 900864468 /nfs/dbraw/zinc/86/44/68/900864468.db2.gz YMJMBFNGGIRUGT-UHFFFAOYSA-N -1 1 414.259 4.222 20 0 HIADMM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000485967144 901184026 /nfs/dbraw/zinc/18/40/26/901184026.db2.gz OCXVVXGWAKNQHM-LBPRGKRZSA-N -1 1 405.292 4.069 20 0 HIADMM O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)c([O-])c1 ZINC000485969355 901185208 /nfs/dbraw/zinc/18/52/08/901185208.db2.gz VXYNNWGRLSBVLG-UHFFFAOYSA-N -1 1 404.182 4.026 20 0 HIADMM CC(C)(C)OC1CC(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000486031272 901236222 /nfs/dbraw/zinc/23/62/22/901236222.db2.gz SOMUWJWVTHIMJA-UHFFFAOYSA-N -1 1 416.543 4.410 20 0 HIADMM CC(C)(C)OC1CC(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000486058055 901253813 /nfs/dbraw/zinc/25/38/13/901253813.db2.gz ZHBJRZNAKZPLDI-UHFFFAOYSA-N -1 1 416.543 4.410 20 0 HIADMM CCc1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1CC ZINC000486089915 901278171 /nfs/dbraw/zinc/27/81/71/901278171.db2.gz PNDZMMPKKVMQRD-OAHLLOKOSA-N -1 1 407.507 4.167 20 0 HIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Br ZINC000486115595 901300617 /nfs/dbraw/zinc/30/06/17/901300617.db2.gz DUZPSDNQXMOLSU-UHFFFAOYSA-N -1 1 423.332 4.142 20 0 HIADMM C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc2)C1 ZINC000486153616 901340750 /nfs/dbraw/zinc/34/07/50/901340750.db2.gz FTZCHGKFLAPJDF-CYBMUJFWSA-N -1 1 423.922 4.110 20 0 HIADMM COc1ccc(OC)c(CN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C2CC2)c1 ZINC000486162638 901350827 /nfs/dbraw/zinc/35/08/27/901350827.db2.gz WHUFXFRNVFLKIO-UHFFFAOYSA-N -1 1 406.486 4.047 20 0 HIADMM COc1ccc(Sc2nsc([N-]C(=O)c3ccoc3Br)n2)cc1 ZINC000486181533 901366924 /nfs/dbraw/zinc/36/69/24/901366924.db2.gz DFGIJZIGSHDDQE-UHFFFAOYSA-N -1 1 412.290 4.306 20 0 HIADMM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000486221749 901403838 /nfs/dbraw/zinc/40/38/38/901403838.db2.gz YDTLQTRHTHZSKN-RISCZKNCSA-N -1 1 400.194 4.459 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCS[C@H]2CCCC[C@@H]21 ZINC000486775362 901846316 /nfs/dbraw/zinc/84/63/16/901846316.db2.gz GOVDOKDYBXWDIG-ZFWWWQNUSA-N -1 1 407.333 4.203 20 0 HIADMM COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000486955606 901987312 /nfs/dbraw/zinc/98/73/12/901987312.db2.gz GTZNWNWMOXJDNK-UHFFFAOYSA-N -1 1 405.882 4.313 20 0 HIADMM Cc1cscc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000487001024 902008514 /nfs/dbraw/zinc/00/85/14/902008514.db2.gz TYJILOJTELJLRH-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM Cc1cscc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000487004385 902009600 /nfs/dbraw/zinc/00/96/00/902009600.db2.gz ZHAGSNBCJFGJDS-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM Cc1cscc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000487039923 902033547 /nfs/dbraw/zinc/03/35/47/902033547.db2.gz MJXNSJIRAUONKF-UHFFFAOYSA-N -1 1 422.478 4.066 20 0 HIADMM O=C(C/C=C/c1cccc(F)c1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000487711836 902307211 /nfs/dbraw/zinc/30/72/11/902307211.db2.gz WRSAGDPFNHEUKZ-VQHVLOKHSA-N -1 1 424.497 4.346 20 0 HIADMM CC1(C)C[C@H]1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000488079825 902587418 /nfs/dbraw/zinc/58/74/18/902587418.db2.gz WVINBRZFJZRQOK-ZDUSSCGKSA-N -1 1 410.898 4.056 20 0 HIADMM Cc1cscc1CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000488545917 902876659 /nfs/dbraw/zinc/87/66/59/902876659.db2.gz DAXPPACVXFSHER-UHFFFAOYSA-N -1 1 401.513 4.179 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCC(F)(F)C3)cc2)cc1C ZINC000488975096 903102874 /nfs/dbraw/zinc/10/28/74/903102874.db2.gz DMGXSVHDXKGDMQ-SFHVURJKSA-N -1 1 422.497 4.412 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000489103738 903197276 /nfs/dbraw/zinc/19/72/76/903197276.db2.gz PINZDNVYJBLCQR-OAHLLOKOSA-N -1 1 422.916 4.088 20 0 HIADMM CC[C@H]1CCc2c(sc3nc(-c4cccc(OCC(=O)NC5CC5)c4)[n-]c(=O)c32)C1 ZINC000489184752 903247342 /nfs/dbraw/zinc/24/73/42/903247342.db2.gz LRFKPUSTBWULPM-ZDUSSCGKSA-N -1 1 423.538 4.236 20 0 HIADMM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000489346304 903340894 /nfs/dbraw/zinc/34/08/94/903340894.db2.gz UDOUZQBQEAIKJY-UHFFFAOYSA-N -1 1 411.304 4.022 20 0 HIADMM Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)n1 ZINC000489560119 903464753 /nfs/dbraw/zinc/46/47/53/903464753.db2.gz IEJJSXPCLILLEI-UHFFFAOYSA-N -1 1 406.847 4.111 20 0 HIADMM O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000489681613 903541138 /nfs/dbraw/zinc/54/11/38/903541138.db2.gz FMAFNWMKBBOYCG-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)c(Cl)c1 ZINC000489760501 903585659 /nfs/dbraw/zinc/58/56/59/903585659.db2.gz CJDUIYPIZRRUHN-UHFFFAOYSA-N -1 1 404.831 4.026 20 0 HIADMM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000490062249 903751709 /nfs/dbraw/zinc/75/17/09/903751709.db2.gz PHBFSYMKXXXNKO-GFCCVEGCSA-N -1 1 400.276 4.140 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc([C@H]4C[C@H]4C)[nH]n3)c2)c1 ZINC000490255656 903856484 /nfs/dbraw/zinc/85/64/84/903856484.db2.gz VTRIIMLAOSEOHI-QAPCUYQASA-N -1 1 424.526 4.203 20 0 HIADMM Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(Br)c([O-])c3)n2)ccc1F ZINC000490542482 904087540 /nfs/dbraw/zinc/08/75/40/904087540.db2.gz IWUGHUUGIJZOAL-SNVBAGLBSA-N -1 1 420.238 4.143 20 0 HIADMM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(Br)c([O-])c3)n2)cc1 ZINC000490604695 904130253 /nfs/dbraw/zinc/13/02/53/904130253.db2.gz DQUWOOHFCMMQTI-LLVKDONJSA-N -1 1 416.275 4.258 20 0 HIADMM Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(Br)c([O-])c3)n2)cc1F ZINC000490612523 904135764 /nfs/dbraw/zinc/13/57/64/904135764.db2.gz UWVFTMCFRKFZOO-SNVBAGLBSA-N -1 1 420.238 4.143 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CC3CCCC3)cc2)cc1OC ZINC000490932159 904324062 /nfs/dbraw/zinc/32/40/62/904324062.db2.gz ZHUOVPGQJIUHNZ-UHFFFAOYSA-N -1 1 418.515 4.023 20 0 HIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000491311382 904531305 /nfs/dbraw/zinc/53/13/05/904531305.db2.gz JVLRUTWRCXQZBH-UHFFFAOYSA-N -1 1 420.479 4.360 20 0 HIADMM COCCOc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000493309982 905084055 /nfs/dbraw/zinc/08/40/55/905084055.db2.gz HXIOISSUSXWNPU-UHFFFAOYSA-N -1 1 423.494 4.056 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC/C=C\c2ccccc2)cc1 ZINC000493865299 905235486 /nfs/dbraw/zinc/23/54/86/905235486.db2.gz RHQNLHZHJCLBBA-YVMONPNESA-N -1 1 424.497 4.378 20 0 HIADMM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000512397923 921133961 /nfs/dbraw/zinc/13/39/61/921133961.db2.gz JMTVIIFCEBFHFF-UHFFFAOYSA-N -1 1 423.469 4.289 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC3=CCCC3)c2)cc1 ZINC000512531480 921219195 /nfs/dbraw/zinc/21/91/95/921219195.db2.gz VRXVVRHWQVXCAB-UHFFFAOYSA-N -1 1 414.527 4.116 20 0 HIADMM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000495263019 906349328 /nfs/dbraw/zinc/34/93/28/906349328.db2.gz RXTUSHUASFSFPO-ZETCQYMHSA-N -1 1 401.801 4.144 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)cc1C ZINC000512567510 921241589 /nfs/dbraw/zinc/24/15/89/921241589.db2.gz BAZSBIJGPWZZOP-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM COc1cccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000497293559 906829715 /nfs/dbraw/zinc/82/97/15/906829715.db2.gz HLPYPXDZDLLJBF-QGZVFWFLSA-N -1 1 424.522 4.295 20 0 HIADMM COc1cccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000497311511 906831539 /nfs/dbraw/zinc/83/15/39/906831539.db2.gz GZLOHFVNGAXVSD-QGZVFWFLSA-N -1 1 424.522 4.295 20 0 HIADMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)ccc2n1 ZINC000512734193 921299030 /nfs/dbraw/zinc/29/90/30/921299030.db2.gz PFJPQJCPKUCRJC-UHFFFAOYSA-N -1 1 420.494 4.161 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c(C)c1 ZINC000512740034 921299773 /nfs/dbraw/zinc/29/97/73/921299773.db2.gz XYYKBOOAIHZCPQ-UHFFFAOYSA-N -1 1 410.495 4.328 20 0 HIADMM CC(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000497902533 907375995 /nfs/dbraw/zinc/37/59/95/907375995.db2.gz BHVPEUYKUBTWMQ-UHFFFAOYSA-N -1 1 422.355 4.117 20 0 HIADMM CCC[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000498047430 907558094 /nfs/dbraw/zinc/55/80/94/907558094.db2.gz NLJXXEFLCLNMGE-OAHLLOKOSA-N -1 1 418.515 4.023 20 0 HIADMM Cc1ccc(CN(C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000498226808 907756744 /nfs/dbraw/zinc/75/67/44/907756744.db2.gz OSRIGGIOCLOMQX-UHFFFAOYSA-N -1 1 409.511 4.460 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(F)c3)cc2)c1 ZINC000498274806 907811153 /nfs/dbraw/zinc/81/11/53/907811153.db2.gz JMDBQKCXVGNANR-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)cc1 ZINC000498396228 907878505 /nfs/dbraw/zinc/87/85/05/907878505.db2.gz KTZDRXMTIMJJOK-UHFFFAOYSA-N -1 1 406.507 4.253 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 ZINC000498411724 907888915 /nfs/dbraw/zinc/88/89/15/907888915.db2.gz FWUZPGAHTPYTCO-UHFFFAOYSA-N -1 1 406.507 4.253 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)c(C)c1 ZINC000498435919 907902388 /nfs/dbraw/zinc/90/23/88/907902388.db2.gz YKOCWQJWKZAGTO-UHFFFAOYSA-N -1 1 406.507 4.307 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Oc1ccc(C)nn1 ZINC000498502791 907974873 /nfs/dbraw/zinc/97/48/73/907974873.db2.gz AIVLOJWAEMNJOC-UHFFFAOYSA-N -1 1 405.863 4.040 20 0 HIADMM CCN(CC(F)(F)F)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000498754864 908178475 /nfs/dbraw/zinc/17/84/75/908178475.db2.gz VCBDZSHRLQQMFT-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM CCN(Cc1ccccc1C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000498931146 908339451 /nfs/dbraw/zinc/33/94/51/908339451.db2.gz QSVRDTPZVBSHTJ-UHFFFAOYSA-N -1 1 408.523 4.458 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(F)F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000512915396 921409126 /nfs/dbraw/zinc/40/91/26/921409126.db2.gz SVAXYGAPRGIIOM-GJZGRUSLSA-N -1 1 414.861 4.289 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1 ZINC000499138910 908495806 /nfs/dbraw/zinc/49/58/06/908495806.db2.gz KKIZVEVTGMZSIF-OXFYSEKESA-N -1 1 400.544 4.350 20 0 HIADMM CCN(C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCCC1 ZINC000499567436 908842592 /nfs/dbraw/zinc/84/25/92/908842592.db2.gz QQLLFBYRRQDUQF-UHFFFAOYSA-N -1 1 419.522 4.101 20 0 HIADMM CSCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000499963918 909403550 /nfs/dbraw/zinc/40/35/50/909403550.db2.gz QDVLKTQYZLWMAN-UHFFFAOYSA-N -1 1 412.964 4.469 20 0 HIADMM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000500070746 909541292 /nfs/dbraw/zinc/54/12/92/909541292.db2.gz BEWWBMGRLLJKCW-UHFFFAOYSA-N -1 1 416.412 4.006 20 0 HIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c(F)c1 ZINC000500287419 909759801 /nfs/dbraw/zinc/75/98/01/909759801.db2.gz FTDUJHOWXXWCSA-UHFFFAOYSA-N -1 1 406.248 4.315 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2)cc1C(F)(F)F ZINC000500339977 909799709 /nfs/dbraw/zinc/79/97/09/909799709.db2.gz KCTYJCCGPRAFCF-UHFFFAOYSA-N -1 1 414.449 4.200 20 0 HIADMM O=C(NC1CC(c2ccccc2)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000500940369 910198457 /nfs/dbraw/zinc/19/84/57/910198457.db2.gz WKICPAMLLBRQQO-UHFFFAOYSA-N -1 1 406.507 4.163 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2CC(c3ccccc3)C2)cc1 ZINC000500952546 910203042 /nfs/dbraw/zinc/20/30/42/910203042.db2.gz GWRMDNLUEPXESS-UHFFFAOYSA-N -1 1 420.534 4.472 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC(C)C)C3CC3)cc2)cc1C ZINC000513118700 921564679 /nfs/dbraw/zinc/56/46/79/921564679.db2.gz OGYQKQBLBKQYIM-UHFFFAOYSA-N -1 1 400.544 4.365 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC(C)C)C3CC3)c2)cc1 ZINC000513123434 921567879 /nfs/dbraw/zinc/56/78/79/921567879.db2.gz LFRAPBBAVJAVFG-UHFFFAOYSA-N -1 1 416.543 4.147 20 0 HIADMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)ccc21 ZINC000501858500 910889007 /nfs/dbraw/zinc/88/90/07/910889007.db2.gz NLMOONOHWAVSBW-UHFFFAOYSA-N -1 1 412.433 4.114 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000502158933 911079495 /nfs/dbraw/zinc/07/94/95/911079495.db2.gz ULOKJDZDLRKGAH-ZDUSSCGKSA-N -1 1 412.465 4.088 20 0 HIADMM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000502415806 911395008 /nfs/dbraw/zinc/39/50/08/911395008.db2.gz LPYYXOAFNUVXCQ-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM O=S(=O)([N-][C@@H]1CCCc2occc21)c1c(Cl)cc(F)cc1Br ZINC000502449850 911438123 /nfs/dbraw/zinc/43/81/23/911438123.db2.gz GOXXKIBPTDBQQY-GFCCVEGCSA-N -1 1 408.676 4.191 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1nc2ccc(Cl)cc2o1)c1nc(C)cs1 ZINC000502866091 911872284 /nfs/dbraw/zinc/87/22/84/911872284.db2.gz MADNNYKBKXJLSM-AWEZNQCLSA-N -1 1 410.904 4.254 20 0 HIADMM CCC[C@H]1C[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000502911940 911898615 /nfs/dbraw/zinc/89/86/15/911898615.db2.gz KSFWYBNNXPWGRS-APWZRJJASA-N -1 1 402.516 4.021 20 0 HIADMM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000502927557 911913842 /nfs/dbraw/zinc/91/38/42/911913842.db2.gz CQJSGXXAHRFPIZ-HKUYNNGSSA-N -1 1 416.543 4.330 20 0 HIADMM C[C@@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@H]1n1ccnc1 ZINC000503074740 912043175 /nfs/dbraw/zinc/04/31/75/912043175.db2.gz RFYUMYJGKHTHPT-RDTXWAMCSA-N -1 1 423.517 4.070 20 0 HIADMM C[C@H]1CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H](C)C1 ZINC000506503464 915124603 /nfs/dbraw/zinc/12/46/03/915124603.db2.gz JPOVFPHTUXUWNI-ROUUACIJSA-N -1 1 415.559 4.065 20 0 HIADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)c1 ZINC000506688844 915365621 /nfs/dbraw/zinc/36/56/21/915365621.db2.gz SAJVUMWQTAJBCC-UHFFFAOYSA-N -1 1 411.907 4.034 20 0 HIADMM COCCCOc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1OC ZINC000507583201 916335545 /nfs/dbraw/zinc/33/55/45/916335545.db2.gz LZEUQSVZLGFITI-UHFFFAOYSA-N -1 1 401.484 4.065 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)C[C@H]1C=CCC1 ZINC000507668213 916433731 /nfs/dbraw/zinc/43/37/31/916433731.db2.gz HKPLNMHUVZXNSI-AWEZNQCLSA-N -1 1 420.918 4.444 20 0 HIADMM COc1ccc2c(c1)oc(C(=O)N1CCC[C@H](c3n[n-]c(=O)o3)C1)c2-c1ccccc1 ZINC000507876576 916714014 /nfs/dbraw/zinc/71/40/14/916714014.db2.gz XGWMTGUIOMYACM-HNNXBMFYSA-N -1 1 419.437 4.217 20 0 HIADMM Cc1ccccc1S(=O)(=O)Nc1cc([O-])c(Br)cc1Br ZINC000507963694 916818670 /nfs/dbraw/zinc/81/86/70/916818670.db2.gz DOEDWMGRBPZWQZ-UHFFFAOYSA-N -1 1 421.110 4.026 20 0 HIADMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)c2)n1C ZINC000507968303 916820297 /nfs/dbraw/zinc/82/02/97/916820297.db2.gz RSTVKDFQFCNFMN-UHFFFAOYSA-N -1 1 404.495 4.258 20 0 HIADMM CCc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnn1-c1ccc(Cl)cc1 ZINC000507980334 916826989 /nfs/dbraw/zinc/82/69/89/916826989.db2.gz RXKNDDOYUYRSQX-UHFFFAOYSA-N -1 1 422.938 4.316 20 0 HIADMM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccccc1C(F)(F)F ZINC000508073022 916894879 /nfs/dbraw/zinc/89/48/79/916894879.db2.gz IKDUPGMFYFOALD-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM COc1ccc(-c2nnc([N-]C(=O)c3csc(-c4ncccc4F)n3)s2)cc1 ZINC000508075517 916896370 /nfs/dbraw/zinc/89/63/70/916896370.db2.gz ZYIDNMLWASIFNR-UHFFFAOYSA-N -1 1 413.459 4.124 20 0 HIADMM COC(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c(F)c1 ZINC000508081461 916898812 /nfs/dbraw/zinc/89/88/12/916898812.db2.gz CSLYKQCAXGCQGM-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C3Cc4ccccc4C3)cc2)cc1 ZINC000508157078 916978528 /nfs/dbraw/zinc/97/85/28/916978528.db2.gz LCNPGAKVEADVPF-UHFFFAOYSA-N -1 1 420.534 4.035 20 0 HIADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000508221528 917039459 /nfs/dbraw/zinc/03/94/59/917039459.db2.gz JNTZPMFQMJSKBU-QFIPXVFZSA-N -1 1 406.507 4.213 20 0 HIADMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000508315808 917121080 /nfs/dbraw/zinc/12/10/80/917121080.db2.gz DEPXBLBVRPIEPP-UHFFFAOYSA-N -1 1 406.204 4.391 20 0 HIADMM CC1(C)CC[C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000508451389 917235958 /nfs/dbraw/zinc/23/59/58/917235958.db2.gz KESYNPWERMTDTG-OAHLLOKOSA-N -1 1 408.470 4.074 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)c1cc(C)oc1C ZINC000508773939 917527729 /nfs/dbraw/zinc/52/77/29/917527729.db2.gz KMBTZROHVJICBM-VIFPVBQESA-N -1 1 406.287 4.029 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)ccc1C(=O)NC(C)C ZINC000509076995 917821744 /nfs/dbraw/zinc/82/17/44/917821744.db2.gz ZESADAWPYCIALX-UHFFFAOYSA-N -1 1 414.449 4.261 20 0 HIADMM COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000509088757 917830643 /nfs/dbraw/zinc/83/06/43/917830643.db2.gz FSQKFRLOSNYLQI-UHFFFAOYSA-N -1 1 404.271 4.118 20 0 HIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C)C(C)=O ZINC000509101952 917841621 /nfs/dbraw/zinc/84/16/21/917841621.db2.gz CIARXJBZUSWFFG-UHFFFAOYSA-N -1 1 414.449 4.183 20 0 HIADMM O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000509201048 917904579 /nfs/dbraw/zinc/90/45/79/917904579.db2.gz AYYXPKKINGBYEM-UHFFFAOYSA-N -1 1 420.375 4.359 20 0 HIADMM COc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000509246766 917940146 /nfs/dbraw/zinc/94/01/46/917940146.db2.gz LBLMQEZGZYXYNJ-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(COC(C)C)cc1 ZINC000509342645 918007734 /nfs/dbraw/zinc/00/77/34/918007734.db2.gz IKJZXRGYFNCFEU-UHFFFAOYSA-N -1 1 406.486 4.049 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)C1 ZINC000509373396 918038690 /nfs/dbraw/zinc/03/86/90/918038690.db2.gz WGFWHGYCFQVTNF-INIZCTEOSA-N -1 1 404.507 4.197 20 0 HIADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)c1 ZINC000509380058 918046412 /nfs/dbraw/zinc/04/64/12/918046412.db2.gz UEGACKXTBXIUNX-UHFFFAOYSA-N -1 1 414.458 4.174 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)ccc1C ZINC000509388223 918053872 /nfs/dbraw/zinc/05/38/72/918053872.db2.gz PPMVNZLDKKDRSG-UHFFFAOYSA-N -1 1 413.474 4.264 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)ccc1C ZINC000509392617 918057314 /nfs/dbraw/zinc/05/73/14/918057314.db2.gz RSQABYJBCCVTRM-UHFFFAOYSA-N -1 1 409.511 4.048 20 0 HIADMM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)c2)cn1 ZINC000509395390 918061634 /nfs/dbraw/zinc/06/16/34/918061634.db2.gz ALFRDOOUHKUVQA-UHFFFAOYSA-N -1 1 408.401 4.284 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000509418021 918079409 /nfs/dbraw/zinc/07/94/09/918079409.db2.gz QLPDVXIPUUFLCG-OAQYLSRUSA-N -1 1 417.513 4.024 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000509421738 918083604 /nfs/dbraw/zinc/08/36/04/918083604.db2.gz HUCWOHZKMRSAHF-UHFFFAOYSA-N -1 1 404.514 4.267 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000509456448 918107523 /nfs/dbraw/zinc/10/75/23/918107523.db2.gz ZHFXPIBVAPSHQZ-UHFFFAOYSA-N -1 1 422.916 4.330 20 0 HIADMM CCSc1ccc([C@@H](C)NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000509532747 918181144 /nfs/dbraw/zinc/18/11/44/918181144.db2.gz MGJSRASTDOBTSM-CYBMUJFWSA-N -1 1 423.560 4.061 20 0 HIADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(Oc4ccc(C)cc4)cc3)cc12 ZINC000509625280 918270957 /nfs/dbraw/zinc/27/09/57/918270957.db2.gz ZBPOTVKEIKTYPO-UHFFFAOYSA-N -1 1 408.483 4.178 20 0 HIADMM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(Br)c([O-])c1 ZINC000509676918 918308376 /nfs/dbraw/zinc/30/83/76/918308376.db2.gz GGJOIUGZNWTNMR-INIZCTEOSA-N -1 1 404.308 4.274 20 0 HIADMM Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000510106552 918669910 /nfs/dbraw/zinc/66/99/10/918669910.db2.gz ZMLOQOIUOKPXRH-UHFFFAOYSA-N -1 1 407.557 4.247 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(Cc3cccnc3)C(C)C)cc2)cc1 ZINC000510253165 918787529 /nfs/dbraw/zinc/78/75/29/918787529.db2.gz ARQWCAUQVNFDKY-UHFFFAOYSA-N -1 1 423.538 4.242 20 0 HIADMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C2CC2)s1 ZINC000510324029 918831734 /nfs/dbraw/zinc/83/17/34/918831734.db2.gz PGEUVHSUPOTGLH-LBPRGKRZSA-N -1 1 421.769 4.297 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2nc(-c3ccc(Br)s3)no2)n1 ZINC000511016218 919581734 /nfs/dbraw/zinc/58/17/34/919581734.db2.gz OVKQFVXWZJNUAF-UHFFFAOYSA-N -1 1 413.322 4.301 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1c(F)cncc1F ZINC000511036826 919620906 /nfs/dbraw/zinc/62/09/06/919620906.db2.gz WQVUAPRTFDXQHU-LURJTMIESA-N -1 1 401.649 4.360 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)cc1 ZINC000511129632 919743566 /nfs/dbraw/zinc/74/35/66/919743566.db2.gz ILKRIIKHCQOSJB-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1C ZINC000511130985 919746858 /nfs/dbraw/zinc/74/68/58/919746858.db2.gz OOLONESLNHTECU-UHFFFAOYSA-N -1 1 424.950 4.152 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c3ccccc32)cc1OC ZINC000511179060 919801868 /nfs/dbraw/zinc/80/18/68/919801868.db2.gz SVPOPBFVRDDSPU-UHFFFAOYSA-N -1 1 401.484 4.447 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)c2)n[nH]1 ZINC000511206355 919818259 /nfs/dbraw/zinc/81/82/59/919818259.db2.gz DKOBHOOTFQPUIQ-UHFFFAOYSA-N -1 1 400.504 4.006 20 0 HIADMM O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000511227653 919833449 /nfs/dbraw/zinc/83/34/49/919833449.db2.gz CNMAHRFDCDYWTB-UHFFFAOYSA-N -1 1 423.469 4.289 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1C ZINC000511698492 920362684 /nfs/dbraw/zinc/36/26/84/920362684.db2.gz BFNVDPPWNZOTTH-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM CCOc1cc(Br)c([N-]S(=O)(=O)c2ccc(C)s2)cc1OCC ZINC000511700885 920364760 /nfs/dbraw/zinc/36/47/60/920364760.db2.gz ZYTZCCRUINZQMC-UHFFFAOYSA-N -1 1 420.350 4.417 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc4c(cc3C)OCO4)cc2)cc1 ZINC000511777464 920466754 /nfs/dbraw/zinc/46/67/54/920466754.db2.gz SKPQWXSIGYFNMI-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM C[C@H]1CCCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000511805021 920501266 /nfs/dbraw/zinc/50/12/66/920501266.db2.gz DREXBDKSCHTEGB-AWEZNQCLSA-N -1 1 408.470 4.170 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCCC[C@H]3C)c2)cc1 ZINC000511812722 920509368 /nfs/dbraw/zinc/50/93/68/920509368.db2.gz ZOEWQXFZZYVRGP-QGZVFWFLSA-N -1 1 416.543 4.291 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3cc(CC4CCCCC4)n[nH]3)c3cccc(c23)C1=O ZINC000512349447 921093699 /nfs/dbraw/zinc/09/36/99/921093699.db2.gz WMVODRAFMKOEMV-UHFFFAOYSA-N -1 1 424.526 4.077 20 0 HIADMM CC(C)[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000513688530 922010181 /nfs/dbraw/zinc/01/01/81/922010181.db2.gz JMUKXPBGWCSGDC-SFHVURJKSA-N -1 1 400.544 4.386 20 0 HIADMM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCO1 ZINC000513719351 922039949 /nfs/dbraw/zinc/03/99/49/922039949.db2.gz BNPSDAHJBRWGML-IEBWSBKVSA-N -1 1 416.543 4.330 20 0 HIADMM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000513720479 922041021 /nfs/dbraw/zinc/04/10/21/922041021.db2.gz LFVZVRHZJYKOGV-LPHOPBHVSA-N -1 1 402.516 4.021 20 0 HIADMM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000513720982 922041089 /nfs/dbraw/zinc/04/10/89/922041089.db2.gz RAYYLFKSBHVMGG-UTKZUKDTSA-N -1 1 416.543 4.267 20 0 HIADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000513720983 922041708 /nfs/dbraw/zinc/04/17/08/922041708.db2.gz RAYYLFKSBHVMGG-UWJYYQICSA-N -1 1 416.543 4.267 20 0 HIADMM CC[C@H](NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1)c1ccc(Cl)cc1 ZINC000514529811 922679617 /nfs/dbraw/zinc/67/96/17/922679617.db2.gz IGZHLEOOGGVDMC-INIZCTEOSA-N -1 1 421.950 4.077 20 0 HIADMM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000514641061 922742366 /nfs/dbraw/zinc/74/23/66/922742366.db2.gz BWEAKCHHYPMXFP-BFUOFWGJSA-N -1 1 408.470 4.074 20 0 HIADMM COC(=O)Cc1ccc(Oc2ccnc(-c3nc4cc(F)ccc4c(=O)[n-]3)c2)cc1 ZINC000514813043 922810153 /nfs/dbraw/zinc/81/01/53/922810153.db2.gz WFFRNIVMAPXFID-UHFFFAOYSA-N -1 1 405.385 4.044 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3Nc3ccc(C)cc3)ccc21 ZINC000514849771 922824221 /nfs/dbraw/zinc/82/42/21/922824221.db2.gz JHOAGEVNYHOGNV-UHFFFAOYSA-N -1 1 421.522 4.448 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H]1CCc2ccccc21 ZINC000514968303 922859227 /nfs/dbraw/zinc/85/92/27/922859227.db2.gz JDJTTXLSWYUDFP-JOCHJYFZSA-N -1 1 406.507 4.247 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)[C@@H]1CCc2ccccc21 ZINC000514984728 922867734 /nfs/dbraw/zinc/86/77/34/922867734.db2.gz CUMGSDORIFYOOI-JOCHJYFZSA-N -1 1 424.497 4.386 20 0 HIADMM CCCOc1cc(CN[C@H](C(=O)[O-])c2ccccc2Br)ccc1OC ZINC000515274581 923029701 /nfs/dbraw/zinc/02/97/01/923029701.db2.gz MBDOQOXYAHEDSF-SFHVURJKSA-N -1 1 408.292 4.162 20 0 HIADMM CC[C@H](C)Cc1c(C)sc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)[n-]c(=O)c12 ZINC000515438528 923099814 /nfs/dbraw/zinc/09/98/14/923099814.db2.gz UPDIEGLYONFFDX-LBPRGKRZSA-N -1 1 419.572 4.211 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1C ZINC000515695292 923278450 /nfs/dbraw/zinc/27/84/50/923278450.db2.gz GMCVWJIZQTVBKD-KRWDZBQOSA-N -1 1 416.543 4.127 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)cn2)n1 ZINC000515697613 923281423 /nfs/dbraw/zinc/28/14/23/923281423.db2.gz XQNGTVTTYUEOKL-UHFFFAOYSA-N -1 1 414.531 4.110 20 0 HIADMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2s1 ZINC000515838820 923386035 /nfs/dbraw/zinc/38/60/35/923386035.db2.gz SJMXNKCJPUWLCM-UHFFFAOYSA-N -1 1 403.529 4.453 20 0 HIADMM O=C([C@@H](Sc1ccccc1Cl)c1ccccc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000516032190 923509782 /nfs/dbraw/zinc/50/97/82/923509782.db2.gz IFCGYFJWKDHFGQ-QAPCUYQASA-N -1 1 413.934 4.093 20 0 HIADMM O=S(=O)([N-]C1(c2ccccc2)CCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000516365158 923694331 /nfs/dbraw/zinc/69/43/31/923694331.db2.gz BUBZUCCTPYYVOJ-UHFFFAOYSA-N -1 1 404.290 4.117 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)c3ncccc23)c1C ZINC000516786588 923887380 /nfs/dbraw/zinc/88/73/80/923887380.db2.gz SPBYEGJGQOVQHA-UHFFFAOYSA-N -1 1 413.499 4.091 20 0 HIADMM Cc1ccc(C(=O)N2CCC[C@@H]2C(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000517094375 923992969 /nfs/dbraw/zinc/99/29/69/923992969.db2.gz FSOBMHPJSGANAN-LJQANCHMSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)ccc1F ZINC000517168960 924035696 /nfs/dbraw/zinc/03/56/96/924035696.db2.gz PLTBRKKVLQYVHV-UHFFFAOYSA-N -1 1 404.507 4.306 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3Cc4ccccc4C3)c2)c1 ZINC000517313025 924096322 /nfs/dbraw/zinc/09/63/22/924096322.db2.gz NSGWVUOWYDGCGH-UHFFFAOYSA-N -1 1 406.507 4.260 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1Cl ZINC000517401942 924159248 /nfs/dbraw/zinc/15/92/48/924159248.db2.gz RSOKWROQBFMDIR-CQSZACIVSA-N -1 1 420.918 4.444 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)c(=O)[n-]1 ZINC000517437313 924186624 /nfs/dbraw/zinc/18/66/24/924186624.db2.gz ZXJSXJXJPXXSOM-UHFFFAOYSA-N -1 1 424.570 4.341 20 0 HIADMM C[C@H]1CC[C@H](NC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000517464132 924207551 /nfs/dbraw/zinc/20/75/51/924207551.db2.gz PGKGGWSHYGZNER-UAPYVXQJSA-N -1 1 415.559 4.208 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OC[C@@H]2CCCCO2)c(C)c1 ZINC000517725740 926814847 /nfs/dbraw/zinc/81/48/47/926814847.db2.gz FAMNTEPKRVGZSM-KRWDZBQOSA-N -1 1 405.516 4.061 20 0 HIADMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000517869659 926869674 /nfs/dbraw/zinc/86/96/74/926869674.db2.gz MVQFZUJDKGRLJQ-UHFFFAOYSA-N -1 1 423.785 4.335 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3NC(=O)C[C@H]3C=CCC3)ccc2O1 ZINC000518075097 927007960 /nfs/dbraw/zinc/00/79/60/927007960.db2.gz LQLNWHMOIQIAJQ-CVEARBPZSA-N -1 1 412.511 4.106 20 0 HIADMM CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000518083111 927012431 /nfs/dbraw/zinc/01/24/31/927012431.db2.gz MKPWTPUSEOOTDI-UHFFFAOYSA-N -1 1 417.469 4.255 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2ccccc2Oc2cccc(F)c2)cc1C(=O)[O-] ZINC000518093270 927016022 /nfs/dbraw/zinc/01/60/22/927016022.db2.gz LHXFIMPDPLWRCR-UHFFFAOYSA-N -1 1 417.414 4.126 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000518324237 927188240 /nfs/dbraw/zinc/18/82/40/927188240.db2.gz WDWCTASNZXZWHN-UHFFFAOYSA-N -1 1 413.359 4.212 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000518328542 927192770 /nfs/dbraw/zinc/19/27/70/927192770.db2.gz FQQSOQNZPCXRCU-UHFFFAOYSA-N -1 1 401.797 4.345 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(Cc3cccs3)no2)cc1)c1ccc(F)cc1 ZINC000518330364 927195533 /nfs/dbraw/zinc/19/55/33/927195533.db2.gz IJWAICVXCRCEPG-UHFFFAOYSA-N -1 1 415.471 4.329 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000518578687 927359249 /nfs/dbraw/zinc/35/92/49/927359249.db2.gz BVZXYLCDPVXKIU-UHFFFAOYSA-N -1 1 410.474 4.011 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N(C1CC1)C1CCCC1 ZINC000518597909 927370849 /nfs/dbraw/zinc/37/08/49/927370849.db2.gz UZYBHYZLSQFSOI-UHFFFAOYSA-N -1 1 402.491 4.174 20 0 HIADMM CC(C)(C)c1ncc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000518632398 927391873 /nfs/dbraw/zinc/39/18/73/927391873.db2.gz ZLNHYOUSQZXKMI-UHFFFAOYSA-N -1 1 415.540 4.494 20 0 HIADMM O=S(=O)([N-]Cc1nc2cc(Cl)ccc2s1)c1sccc1Br ZINC000518733410 927462694 /nfs/dbraw/zinc/46/26/94/927462694.db2.gz WKNVHTKRSNXSJV-UHFFFAOYSA-N -1 1 423.766 4.252 20 0 HIADMM CC(C)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000518793431 927496686 /nfs/dbraw/zinc/49/66/86/927496686.db2.gz XROVGEBGDVGIHV-IBGZPJMESA-N -1 1 406.935 4.401 20 0 HIADMM CC(C)CO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000518882464 927595352 /nfs/dbraw/zinc/59/53/52/927595352.db2.gz INLLTMAANFFSJF-AWEZNQCLSA-N -1 1 410.923 4.140 20 0 HIADMM CCCc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n[nH]1 ZINC000518947375 927649752 /nfs/dbraw/zinc/64/97/52/927649752.db2.gz BXWRSDWZTKZBBO-UHFFFAOYSA-N -1 1 412.515 4.032 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)o1 ZINC000519113338 927781551 /nfs/dbraw/zinc/78/15/51/927781551.db2.gz ZUWUPBWCMAEXBH-QGZVFWFLSA-N -1 1 404.532 4.114 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccncc3)cc2)cc1C ZINC000519202633 927825516 /nfs/dbraw/zinc/82/55/16/927825516.db2.gz GASFHZUPIPGAHJ-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1Cl ZINC000519228745 927836459 /nfs/dbraw/zinc/83/64/59/927836459.db2.gz XLTYUQHNHXZNTE-UHFFFAOYSA-N -1 1 416.261 4.128 20 0 HIADMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(C)(C)C ZINC000519254175 927848989 /nfs/dbraw/zinc/84/89/89/927848989.db2.gz KMOLKVGMEIIGTH-GOSISDBHSA-N -1 1 410.486 4.320 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3cccnc3)ccc2C)c1 ZINC000519405163 927927061 /nfs/dbraw/zinc/92/70/61/927927061.db2.gz FUHXWOHCIQRLBL-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)c1C ZINC000519470572 927970892 /nfs/dbraw/zinc/97/08/92/927970892.db2.gz OAUXECCSXPOHKY-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)c2)n[nH]1 ZINC000519574012 928022903 /nfs/dbraw/zinc/02/29/03/928022903.db2.gz UTQSMQMVFXJTQU-UHFFFAOYSA-N -1 1 410.421 4.217 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccccc1OC ZINC000519886910 928119064 /nfs/dbraw/zinc/11/90/64/928119064.db2.gz GTQVVVHAVWALJZ-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C)c1 ZINC000519994296 928222785 /nfs/dbraw/zinc/22/27/85/928222785.db2.gz HGHRYNADMPHQBV-INIZCTEOSA-N -1 1 400.544 4.203 20 0 HIADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000520018463 928242474 /nfs/dbraw/zinc/24/24/74/928242474.db2.gz KISRRVNUHZKCHN-UHFFFAOYSA-N -1 1 415.311 4.327 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1c(Cl)cccc1Cl ZINC000520028375 928250779 /nfs/dbraw/zinc/25/07/79/928250779.db2.gz SNQQXMLMSSEIPL-CVEARBPZSA-N -1 1 404.290 4.331 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC)c3ccccc32)c1 ZINC000520038078 928261556 /nfs/dbraw/zinc/26/15/56/928261556.db2.gz BOHPVXUGDLRIBL-UHFFFAOYSA-N -1 1 413.499 4.181 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccccn3)cc2)cc1 ZINC000520088291 928302561 /nfs/dbraw/zinc/30/25/61/928302561.db2.gz KLFQTHSJJQWUIN-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM CCC[C@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000520105231 928313097 /nfs/dbraw/zinc/31/30/97/928313097.db2.gz KUSIRHAQPPMCLF-KRWDZBQOSA-N -1 1 404.532 4.195 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000520133675 928331738 /nfs/dbraw/zinc/33/17/38/928331738.db2.gz HQYYLGLRTGAFOX-OAQYLSRUSA-N -1 1 402.498 4.021 20 0 HIADMM CN(CC1CCCC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000520164688 928357381 /nfs/dbraw/zinc/35/73/81/928357381.db2.gz BVZRATJIZSPSHB-UHFFFAOYSA-N -1 1 406.935 4.403 20 0 HIADMM Cc1csc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000520270918 928436528 /nfs/dbraw/zinc/43/65/28/928436528.db2.gz LRUGZJOYGYSYAI-UHFFFAOYSA-N -1 1 421.931 4.182 20 0 HIADMM CCC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC000520393571 928544373 /nfs/dbraw/zinc/54/43/73/928544373.db2.gz OLMSCOMVYOUXLN-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1 ZINC000520614472 928675071 /nfs/dbraw/zinc/67/50/71/928675071.db2.gz OJFZSMJKXDAARS-INIZCTEOSA-N -1 1 400.544 4.285 20 0 HIADMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000520739494 928791027 /nfs/dbraw/zinc/79/10/27/928791027.db2.gz RWVPSHYEDFZEOR-JTQLQIEISA-N -1 1 411.936 4.416 20 0 HIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc[nH]n3)cc2)c(C)c1C ZINC000521037966 928951451 /nfs/dbraw/zinc/95/14/51/928951451.db2.gz BVWJEQIWLWUJOZ-UHFFFAOYSA-N -1 1 412.515 4.005 20 0 HIADMM Cc1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000521082602 928980975 /nfs/dbraw/zinc/98/09/75/928980975.db2.gz JZGZDYAUFKJVGS-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CC3CCCC3)cc2)c1 ZINC000521178973 929046659 /nfs/dbraw/zinc/04/66/59/929046659.db2.gz XBQKHTZUXAFSAW-UHFFFAOYSA-N -1 1 400.544 4.366 20 0 HIADMM C[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000521345327 929160530 /nfs/dbraw/zinc/16/05/30/929160530.db2.gz UJFNPLGCYZARRN-WMZOPIPTSA-N -1 1 418.534 4.112 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3c(F)cc(F)cc3F)c(C)s2)c1 ZINC000521415984 929211457 /nfs/dbraw/zinc/21/14/57/929211457.db2.gz QGFCACDUEWKAQJ-UHFFFAOYSA-N -1 1 421.400 4.452 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3F)c2)cc1 ZINC000521478203 929241800 /nfs/dbraw/zinc/24/18/00/929241800.db2.gz MPNSSTXHIXCGPK-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1Cc2ccccc2C1 ZINC000521578018 929308096 /nfs/dbraw/zinc/30/80/96/929308096.db2.gz BFLJPMAOXDLLLS-UHFFFAOYSA-N -1 1 412.898 4.297 20 0 HIADMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC000521633186 929336449 /nfs/dbraw/zinc/33/64/49/929336449.db2.gz UWCPLSXCPONSOW-UHFFFAOYSA-N -1 1 421.565 4.236 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3nc4c(cccc4F)[nH]3)cc2)c1 ZINC000521682821 929364570 /nfs/dbraw/zinc/36/45/70/929364570.db2.gz GMMFSMTYIHNBDC-UHFFFAOYSA-N -1 1 404.401 4.285 20 0 HIADMM CCCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H](CC)c1ccccc1 ZINC000521760341 929420728 /nfs/dbraw/zinc/42/07/28/929420728.db2.gz JEXMKKHNTKDJFX-NRFANRHFSA-N -1 1 404.514 4.485 20 0 HIADMM O=S(=O)([N-]Cc1c(Cl)cccc1Cl)c1sccc1Br ZINC000521772102 929433754 /nfs/dbraw/zinc/43/37/54/929433754.db2.gz NGCMZPZNZUUNMD-UHFFFAOYSA-N -1 1 401.134 4.296 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCC4)cc2)cc1 ZINC000521799835 929460065 /nfs/dbraw/zinc/46/00/65/929460065.db2.gz DCGKKRPQGGNHQK-UHFFFAOYSA-N -1 1 410.543 4.380 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000521820395 929478035 /nfs/dbraw/zinc/47/80/35/929478035.db2.gz SADCJEFDPTUJPQ-QFIPXVFZSA-N -1 1 412.921 4.295 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC3CC3)CC3CC3)cc2)ccc1F ZINC000524541981 929673548 /nfs/dbraw/zinc/67/35/48/929673548.db2.gz YPFSDIAOMXAFMS-UHFFFAOYSA-N -1 1 416.518 4.197 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@H](C)CC)c2)cc1 ZINC000524692594 929801609 /nfs/dbraw/zinc/80/16/09/929801609.db2.gz NOVBFIGLCNJEER-MRXNPFEDSA-N -1 1 404.532 4.004 20 0 HIADMM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000524846979 929855693 /nfs/dbraw/zinc/85/56/93/929855693.db2.gz HKFYDUIVVURQAC-IEBWSBKVSA-N -1 1 400.544 4.494 20 0 HIADMM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1sccc1Br ZINC000524870476 929866883 /nfs/dbraw/zinc/86/68/83/929866883.db2.gz HNYIKLGAXWZHAO-WRWORJQWSA-N -1 1 410.717 4.138 20 0 HIADMM CC[C@H]1CCC[C@@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000524885859 929872574 /nfs/dbraw/zinc/87/25/74/929872574.db2.gz RHORUUGOFJNSNV-OXJNMPFZSA-N -1 1 418.534 4.254 20 0 HIADMM CC[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000524927592 929894104 /nfs/dbraw/zinc/89/41/04/929894104.db2.gz APZZWXITMDCFQZ-MJGOQNOKSA-N -1 1 415.559 4.255 20 0 HIADMM Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)oc2c1C(=O)CCC2 ZINC000525072260 930018134 /nfs/dbraw/zinc/01/81/34/930018134.db2.gz UBXSAJZBGNVOPL-UHFFFAOYSA-N -1 1 424.478 4.160 20 0 HIADMM CCO[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000525583553 930345760 /nfs/dbraw/zinc/34/57/60/930345760.db2.gz FQALPQFDJMINSM-OAQYLSRUSA-N -1 1 410.495 4.204 20 0 HIADMM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525585585 930347125 /nfs/dbraw/zinc/34/71/25/930347125.db2.gz BHMFPZACIRIOJA-QGZVFWFLSA-N -1 1 422.506 4.382 20 0 HIADMM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000525616203 930363712 /nfs/dbraw/zinc/36/37/12/930363712.db2.gz LKDDPJKEWIOFSG-HOTGVXAUSA-N -1 1 404.507 4.277 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C[C@H](C)S1 ZINC000525717919 930414418 /nfs/dbraw/zinc/41/44/18/930414418.db2.gz TZGLKZIRAKCBKM-OKILXGFUSA-N -1 1 424.975 4.107 20 0 HIADMM C[C@@H]1C[C@H](C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000527180019 930607522 /nfs/dbraw/zinc/60/75/22/930607522.db2.gz PVERSPVALBCNKL-TXEJJXNPSA-N -1 1 413.326 4.417 20 0 HIADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000527473512 930664762 /nfs/dbraw/zinc/66/47/62/930664762.db2.gz QHTFOVFJKYQOMY-TXEJJXNPSA-N -1 1 403.276 4.030 20 0 HIADMM COc1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc(Cl)c1[O-] ZINC000527485918 930666494 /nfs/dbraw/zinc/66/64/94/930666494.db2.gz YMKDFJFWPBOALP-UHFFFAOYSA-N -1 1 412.877 4.291 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)c(Br)c1 ZINC000530284615 930675852 /nfs/dbraw/zinc/67/58/52/930675852.db2.gz SVSOQCMOJBHXDL-UHFFFAOYSA-N -1 1 402.335 4.122 20 0 HIADMM CCc1ccc(O)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000530588298 930760351 /nfs/dbraw/zinc/76/03/51/930760351.db2.gz IFJXSYRENPRBSF-UHFFFAOYSA-N -1 1 414.458 4.147 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)ccc1Br ZINC000530868370 930844418 /nfs/dbraw/zinc/84/44/18/930844418.db2.gz NWRSLEBKSAXTPK-UHFFFAOYSA-N -1 1 414.321 4.354 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(F)ccc2O)c1 ZINC000530896607 930852968 /nfs/dbraw/zinc/85/29/68/930852968.db2.gz FUENBTWZANEJQS-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM O=C(CCc1ccoc1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000530998842 930879764 /nfs/dbraw/zinc/87/97/64/930879764.db2.gz AYIITPAFFVASBX-UHFFFAOYSA-N -1 1 420.874 4.011 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000531099562 930918589 /nfs/dbraw/zinc/91/85/89/930918589.db2.gz VUBKEZTURRWXPG-AWEZNQCLSA-N -1 1 410.543 4.418 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(F)ccc3O)c2)c1 ZINC000531373828 931035378 /nfs/dbraw/zinc/03/53/78/931035378.db2.gz RHTNUFPGDAWBDL-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000531486697 931074520 /nfs/dbraw/zinc/07/45/20/931074520.db2.gz OUSQFWQGOSOLHH-LLVKDONJSA-N -1 1 403.847 4.176 20 0 HIADMM O=C(Nc1cccc2ccncc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000531518753 931088609 /nfs/dbraw/zinc/08/86/09/931088609.db2.gz HSFMODAWFGSPIL-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1sc([C@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)nc1-c1ccc(Cl)cc1 ZINC000532034090 931292344 /nfs/dbraw/zinc/29/23/44/931292344.db2.gz IXUOXQFBPVPVGL-NSHDSACASA-N -1 1 424.913 4.499 20 0 HIADMM O=C(Nc1ccc(F)cc1O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000532620789 931556750 /nfs/dbraw/zinc/55/67/50/931556750.db2.gz VDUIKFIONLIIOL-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000532749897 931621912 /nfs/dbraw/zinc/62/19/12/931621912.db2.gz PKSRBNQCNGQVFS-LBPRGKRZSA-N -1 1 412.795 4.052 20 0 HIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cc(-c4ccncc4)n[nH]3)cc2)cc1 ZINC000532856065 931666484 /nfs/dbraw/zinc/66/64/84/931666484.db2.gz BRGNTWVXLGMTEF-UHFFFAOYSA-N -1 1 422.466 4.073 20 0 HIADMM O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc([O-])c(Cl)c1 ZINC000533081993 931766467 /nfs/dbraw/zinc/76/64/67/931766467.db2.gz BFASHSSNZLZQQN-UHFFFAOYSA-N -1 1 417.899 4.184 20 0 HIADMM O=C(Nc1ccc(Cl)cc1O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000533618964 931927465 /nfs/dbraw/zinc/92/74/65/931927465.db2.gz SKCSRWGAPALLAP-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM Cc1ccc(C(=O)N(C)[C@H]2CCSC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000533748804 932007668 /nfs/dbraw/zinc/00/76/68/932007668.db2.gz YGSDFEBAVSAJPH-KRWDZBQOSA-N -1 1 424.975 4.027 20 0 HIADMM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000533782774 932030940 /nfs/dbraw/zinc/03/09/40/932030940.db2.gz PUBSJWGCSYHJTH-OAHLLOKOSA-N -1 1 415.563 4.092 20 0 HIADMM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3nc(-c4cccs4)[nH]c3c2)c1 ZINC000533939767 932113554 /nfs/dbraw/zinc/11/35/54/932113554.db2.gz UUSRJXHPPSIZNC-UHFFFAOYSA-N -1 1 415.496 4.109 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000534359606 932393336 /nfs/dbraw/zinc/39/33/36/932393336.db2.gz WYFFRWUJRKJQIA-UHFFFAOYSA-N -1 1 407.392 4.222 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c1 ZINC000535097202 932912089 /nfs/dbraw/zinc/91/20/89/932912089.db2.gz XDVSWQMBFGKUBA-UHFFFAOYSA-N -1 1 415.493 4.408 20 0 HIADMM CCc1noc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000535163949 932981630 /nfs/dbraw/zinc/98/16/30/932981630.db2.gz XGFXCRUMPNQUJX-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM Cc1ccccc1COc1cccc(C=C([O-])Nc2nc(-c3cccnc3)ns2)c1 ZINC000535932133 933500388 /nfs/dbraw/zinc/50/03/88/933500388.db2.gz SMPQYNZPBPAAIO-UHFFFAOYSA-N -1 1 416.506 4.091 20 0 HIADMM Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000537480076 933791549 /nfs/dbraw/zinc/79/15/49/933791549.db2.gz VFVYVSMTQHDPFM-UHFFFAOYSA-N -1 1 419.359 4.120 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(C(F)(F)F)CCC3)cc2)cc1 ZINC000537571301 938327349 /nfs/dbraw/zinc/32/73/49/938327349.db2.gz CCMHRZCFLBLHLY-UHFFFAOYSA-N -1 1 412.433 4.011 20 0 HIADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000537930178 938418530 /nfs/dbraw/zinc/41/85/30/938418530.db2.gz CMZMBPAUPMMUMB-CJNGLKHVSA-N -1 1 408.470 4.169 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(C)c(Br)c2)n[nH]c1-c1ccccc1 ZINC000538007527 938459648 /nfs/dbraw/zinc/45/96/48/938459648.db2.gz PGSBVKZMDMWWTG-UHFFFAOYSA-N -1 1 406.305 4.257 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2n[nH]c(-c3ccccc3)c2C)s1 ZINC000538009732 938460584 /nfs/dbraw/zinc/46/05/84/938460584.db2.gz GYGJUNITHYRGER-UHFFFAOYSA-N -1 1 412.334 4.318 20 0 HIADMM COc1ccc2c(c1)nc(Sc1nc3c(cnn3C)c(=O)[n-]1)cc2-c1ccccc1 ZINC000538894476 938732001 /nfs/dbraw/zinc/73/20/01/938732001.db2.gz BYKXWZATLWGMNC-UHFFFAOYSA-N -1 1 415.478 4.444 20 0 HIADMM Cc1scc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000539121082 938805834 /nfs/dbraw/zinc/80/58/34/938805834.db2.gz XACRZUKWFHVWJC-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM CCc1cccc([N-]S(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)c1 ZINC000539237928 938823311 /nfs/dbraw/zinc/82/33/11/938823311.db2.gz GEVDILQCFCPRJR-UHFFFAOYSA-N -1 1 411.321 4.079 20 0 HIADMM CC(C)[C@H]1CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000539456909 938863543 /nfs/dbraw/zinc/86/35/43/938863543.db2.gz WZCJJWHRIZKFEY-GOSISDBHSA-N -1 1 410.898 4.150 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C(F)(F)F)c1 ZINC000540211884 939130990 /nfs/dbraw/zinc/13/09/90/939130990.db2.gz CFOLPSSMBZHKLM-UHFFFAOYSA-N -1 1 416.421 4.252 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCC3)ccc2Cl)sc1C ZINC000540214557 939131690 /nfs/dbraw/zinc/13/16/90/939131690.db2.gz GHYQFULYMRFVQX-UHFFFAOYSA-N -1 1 412.964 4.445 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000540250352 939167929 /nfs/dbraw/zinc/16/79/29/939167929.db2.gz UBEWUZGNJPTNTQ-OLZOCXBDSA-N -1 1 417.289 4.246 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1 ZINC000540338544 939199707 /nfs/dbraw/zinc/19/97/07/939199707.db2.gz XKKMQLWAHRNHOJ-UHFFFAOYSA-N -1 1 420.506 4.292 20 0 HIADMM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)sc1Cl ZINC000540482908 939269836 /nfs/dbraw/zinc/26/98/36/939269836.db2.gz CBEDFZMKHKYUJE-GWCFXTLKSA-N -1 1 414.282 4.142 20 0 HIADMM Nc1c(F)cc(Cl)cc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000540518368 939284871 /nfs/dbraw/zinc/28/48/71/939284871.db2.gz SGZPPEZNICJOJY-UHFFFAOYSA-N -1 1 419.865 4.114 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)nn1[C@@H](C)C1CC1 ZINC000540785339 939371467 /nfs/dbraw/zinc/37/14/67/939371467.db2.gz BCXAAJAKQHBXCF-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM CC[C@@H]1C[C@H](CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000541014663 939431409 /nfs/dbraw/zinc/43/14/09/939431409.db2.gz WDGIINQGWBMQOR-NVXWUHKLSA-N -1 1 420.506 4.160 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(F)cc2Nc2ccccc2F)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000541243285 939487228 /nfs/dbraw/zinc/48/72/28/939487228.db2.gz PTTZJDGBLYAYDK-UHFFFAOYSA-N -1 1 423.379 4.019 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CC(C)(C)C3)cc2)cc1 ZINC000541511935 939541076 /nfs/dbraw/zinc/54/10/76/939541076.db2.gz ULGIXGVXBHRGOE-INIZCTEOSA-N -1 1 416.543 4.004 20 0 HIADMM Cc1nc(-c2ccccc2)sc1NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000541532821 939545936 /nfs/dbraw/zinc/54/59/36/939545936.db2.gz CPVWDTRWLNQOMV-UHFFFAOYSA-N -1 1 407.499 4.055 20 0 HIADMM C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc([O-])c(Cl)c4)[nH]c(=O)c32)C1 ZINC000541887333 939649329 /nfs/dbraw/zinc/64/93/29/939649329.db2.gz MIASTDBPWCBNIA-JTQLQIEISA-N -1 1 417.918 4.452 20 0 HIADMM Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000541887337 939649353 /nfs/dbraw/zinc/64/93/53/939649353.db2.gz NERANSLNWPPOMS-UHFFFAOYSA-N -1 1 424.810 4.443 20 0 HIADMM CO[C@@H](C)CCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000542016028 939687014 /nfs/dbraw/zinc/68/70/14/939687014.db2.gz XFEOXBKDPDIMRV-AWEZNQCLSA-N -1 1 410.923 4.203 20 0 HIADMM Cc1noc(C2CC2)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000542490233 939832210 /nfs/dbraw/zinc/83/22/10/939832210.db2.gz CIKDSJMYFCVIGR-UHFFFAOYSA-N -1 1 411.483 4.222 20 0 HIADMM CCc1nc2cc(S(=O)(=O)[N-]c3nc4ccc(C(F)(F)F)cc4[nH]3)ccc2o1 ZINC000542930772 939880465 /nfs/dbraw/zinc/88/04/65/939880465.db2.gz WBXAZABFEQGMKX-UHFFFAOYSA-N -1 1 410.377 4.086 20 0 HIADMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000543162706 939981603 /nfs/dbraw/zinc/98/16/03/939981603.db2.gz JPKZUEKSSBIHJH-UHFFFAOYSA-N -1 1 424.457 4.411 20 0 HIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000563766412 945291024 /nfs/dbraw/zinc/29/10/24/945291024.db2.gz JZALTZGQWIADMY-UHFFFAOYSA-N -1 1 411.760 4.381 20 0 HIADMM O=S(=O)([N-]Cc1ccc(COCC(F)(F)F)cc1)c1cc(Cl)ccc1F ZINC000563827115 945306443 /nfs/dbraw/zinc/30/64/43/945306443.db2.gz QQBPDOKIDMDPLK-UHFFFAOYSA-N -1 1 411.804 4.037 20 0 HIADMM C[C@H]1c2ccccc2CN1C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000544037923 940307152 /nfs/dbraw/zinc/30/71/52/940307152.db2.gz BLWVATPGJHXFET-INIZCTEOSA-N -1 1 424.497 4.272 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000544278699 940377076 /nfs/dbraw/zinc/37/70/76/940377076.db2.gz QKWFEJHNCWFASD-UHFFFAOYSA-N -1 1 401.513 4.132 20 0 HIADMM CC[C@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000544873405 940520935 /nfs/dbraw/zinc/52/09/35/940520935.db2.gz YUDYDWDDSAWIJZ-CQSZACIVSA-N -1 1 418.412 4.087 20 0 HIADMM CCN(CCC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000544877939 940521217 /nfs/dbraw/zinc/52/12/17/940521217.db2.gz XOULGKJNZOPWHA-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(I)c([O-])c1 ZINC000544881982 940521264 /nfs/dbraw/zinc/52/12/64/940521264.db2.gz OYTXOGXGOZEQIU-HNNXBMFYSA-N -1 1 410.255 4.005 20 0 HIADMM CS[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(C)(C)C ZINC000544892341 940522433 /nfs/dbraw/zinc/52/24/33/940522433.db2.gz GOPPGZKHATXSSJ-SFHVURJKSA-N -1 1 421.588 4.387 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(-c2nc(CC(F)(F)F)no2)cc1 ZINC000544985113 940530930 /nfs/dbraw/zinc/53/09/30/940530930.db2.gz UZZBIISKAHDGHV-UHFFFAOYSA-N -1 1 415.368 4.090 20 0 HIADMM Cc1cc(Cc2noc(-c3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)cc3)n2)no1 ZINC000544987892 940531217 /nfs/dbraw/zinc/53/12/17/940531217.db2.gz GGSDBIVHLKASOH-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM Cc1cc(C)nc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)n2)c1 ZINC000545028592 940535038 /nfs/dbraw/zinc/53/50/38/940535038.db2.gz QAZVXALROBVMGO-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(CCC(F)(F)F)no3)c2)cc1 ZINC000545040113 940536077 /nfs/dbraw/zinc/53/60/77/940536077.db2.gz OCDSCXFMNAWGAF-UHFFFAOYSA-N -1 1 411.405 4.341 20 0 HIADMM CCOc1cc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc(Cl)c1[O-] ZINC000545169444 940553808 /nfs/dbraw/zinc/55/38/08/940553808.db2.gz CKNLAXLNVVPOIB-UHFFFAOYSA-N -1 1 411.889 4.049 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CSC)cc1Br ZINC000545368793 940566170 /nfs/dbraw/zinc/56/61/70/940566170.db2.gz YRQZBTJDKQXXCU-UHFFFAOYSA-N -1 1 402.335 4.122 20 0 HIADMM Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000545420972 940569057 /nfs/dbraw/zinc/56/90/57/940569057.db2.gz RDMCONXSEMDTDY-UHFFFAOYSA-N -1 1 420.506 4.133 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc([C@@H]3Cc4ccccc43)no2)c1)c1ccccc1 ZINC000545578626 940575702 /nfs/dbraw/zinc/57/57/02/940575702.db2.gz JAVFGMDRCDPJBJ-HXUWFJFHSA-N -1 1 403.463 4.225 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc([C@@H]4CCO[C@H](C)C4)no3)c2)cc1 ZINC000545798847 940600392 /nfs/dbraw/zinc/60/03/92/940600392.db2.gz NIURRPKDQWDFOM-HZPDHXFCSA-N -1 1 413.499 4.128 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3NC3CCCCC3)cc2oc1=O ZINC000545933220 940660794 /nfs/dbraw/zinc/66/07/94/940660794.db2.gz JMTIODIDAQUZGS-UHFFFAOYSA-N -1 1 415.515 4.160 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccccc2CSC)ccc1Br ZINC000546072420 940691323 /nfs/dbraw/zinc/69/13/23/940691323.db2.gz UPVDPTPOUUIZIH-UHFFFAOYSA-N -1 1 402.335 4.122 20 0 HIADMM O=c1cc(C(F)F)nc(S[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)[n-]1 ZINC000564007074 945345648 /nfs/dbraw/zinc/34/56/48/945345648.db2.gz XWLKEFHHUZJIGC-LBPRGKRZSA-N -1 1 417.384 4.009 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(Cc2cccc3ccccc32)no1 ZINC000546315724 940779386 /nfs/dbraw/zinc/77/93/86/940779386.db2.gz XTMMFSOVTHDHEM-UHFFFAOYSA-N -1 1 409.449 4.270 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(C3Cc4ccccc4C3)no2)cc1)c1ccccc1 ZINC000546380044 940806110 /nfs/dbraw/zinc/80/61/10/940806110.db2.gz ZWRRGYODFLBDKI-UHFFFAOYSA-N -1 1 417.490 4.420 20 0 HIADMM Cc1nc2ccc(-c3noc(Cc4c(C)nc(-c5cccnc5)[n-]c4=O)n3)cc2s1 ZINC000546444714 940821342 /nfs/dbraw/zinc/82/13/42/940821342.db2.gz CENKYEZVZOOPPI-UHFFFAOYSA-N -1 1 416.466 4.112 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(-c2nc(CCc3ccco3)no2)c1 ZINC000546493589 940835691 /nfs/dbraw/zinc/83/56/91/940835691.db2.gz VAKJPZOTXXJCRN-UHFFFAOYSA-N -1 1 413.430 4.055 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc(Cl)c1[O-] ZINC000546564329 940854333 /nfs/dbraw/zinc/85/43/33/940854333.db2.gz QRZNNXTWGLSXIL-UKRRQHHQSA-N -1 1 410.695 4.493 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc(Cl)c1[O-] ZINC000546563968 940854389 /nfs/dbraw/zinc/85/43/89/940854389.db2.gz LUPYVBNRGFPSHN-UHFFFAOYSA-N -1 1 422.762 4.371 20 0 HIADMM Cc1nc(-c2ccc(N[C@H](c3ccn(C)n3)c3ccc(Cl)cc3)nc2)[n-]c(=O)c1C ZINC000546577353 940856777 /nfs/dbraw/zinc/85/67/77/940856777.db2.gz FLKXEEWJHZKUNS-FQEVSTJZSA-N -1 1 420.904 4.449 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc(Cl)c1[O-] ZINC000546584474 940858187 /nfs/dbraw/zinc/85/81/87/940858187.db2.gz XNIBDLQFWSZWGI-UHFFFAOYSA-N -1 1 411.845 4.344 20 0 HIADMM C[C@H](CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000546924092 940914585 /nfs/dbraw/zinc/91/45/85/940914585.db2.gz GPKOMCWLZIGXCY-QGZVFWFLSA-N -1 1 409.511 4.413 20 0 HIADMM CSc1nc(C)c(CCc2nc(CSc3ccc(Cl)cc3)no2)c(=O)[n-]1 ZINC000546942611 940921022 /nfs/dbraw/zinc/92/10/22/940921022.db2.gz SRABTLWRQOGPAW-UHFFFAOYSA-N -1 1 408.936 4.326 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(Cc2ccc(C(C)C)cc2)no1 ZINC000547034317 940968000 /nfs/dbraw/zinc/96/80/00/940968000.db2.gz PJSNHCRHKSNNFF-UHFFFAOYSA-N -1 1 401.470 4.241 20 0 HIADMM COCCCCc1noc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n1 ZINC000547094250 940992928 /nfs/dbraw/zinc/99/29/28/940992928.db2.gz MGZXELJVHXUTSC-UHFFFAOYSA-N -1 1 415.515 4.123 20 0 HIADMM CCc1cccc2c(Cc3noc(CCc4c(C)nc(SC)[n-]c4=O)n3)c[nH]c21 ZINC000547108291 940999907 /nfs/dbraw/zinc/99/99/07/940999907.db2.gz YVTKZAGPVUURSH-UHFFFAOYSA-N -1 1 409.515 4.015 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc([C@@H]3CCCCS3)no2)c1)c1ccccc1 ZINC000547222451 941036702 /nfs/dbraw/zinc/03/67/02/941036702.db2.gz MTHCMTCSVDENDC-KRWDZBQOSA-N -1 1 401.513 4.496 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC2(CC2)c2ccccc21 ZINC000548471505 941106267 /nfs/dbraw/zinc/10/62/67/941106267.db2.gz LOMAWCJNCKCRKJ-UHFFFAOYSA-N -1 1 422.481 4.319 20 0 HIADMM COc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cc1 ZINC000548705298 941120446 /nfs/dbraw/zinc/12/04/46/941120446.db2.gz IORWIMXORBTFQX-UHFFFAOYSA-N -1 1 424.497 4.065 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3ccco3)no2)c1)c1ccc(F)c(F)c1 ZINC000551047430 941400402 /nfs/dbraw/zinc/40/04/02/941400402.db2.gz IDOKPRNXXPJHHB-UHFFFAOYSA-N -1 1 403.366 4.076 20 0 HIADMM O=C([O-])[C@H](NCc1cnn(-c2ccc(Br)cc2)c1)c1cccc(Cl)c1 ZINC000551054962 941401806 /nfs/dbraw/zinc/40/18/06/941401806.db2.gz GVCNXEQVCQKGFG-QGZVFWFLSA-N -1 1 420.694 4.204 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)c(Cl)c1Cl ZINC000551084209 941406292 /nfs/dbraw/zinc/40/62/92/941406292.db2.gz QCEOUKGGNGKGBB-UHFFFAOYSA-N -1 1 412.298 4.297 20 0 HIADMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3Br)cc2)n1 ZINC000551095507 941408911 /nfs/dbraw/zinc/40/89/11/941408911.db2.gz KSTABNVYCOCEOQ-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM CCc1csc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000552182743 941597400 /nfs/dbraw/zinc/59/74/00/941597400.db2.gz AMIYVYQZICJQJD-UHFFFAOYSA-N -1 1 421.931 4.412 20 0 HIADMM COc1ccc(OC)c(CC(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000552207252 941602368 /nfs/dbraw/zinc/60/23/68/941602368.db2.gz IOVDFYRTTFGGNJ-UHFFFAOYSA-N -1 1 400.656 4.007 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000552209660 941604029 /nfs/dbraw/zinc/60/40/29/941604029.db2.gz PUPMIRRDZDBLPP-UHFFFAOYSA-N -1 1 409.667 4.409 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cccc1OCC(F)(F)F ZINC000552853896 941788857 /nfs/dbraw/zinc/78/88/57/941788857.db2.gz SAUJKSJEADVKEP-NSHDSACASA-N -1 1 401.406 4.060 20 0 HIADMM Cc1ccc(CC2CCN(C(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)CC2)cc1C ZINC000552954992 941807394 /nfs/dbraw/zinc/80/73/94/941807394.db2.gz IQOQOCBDBVTFOM-UHFFFAOYSA-N -1 1 420.557 4.082 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(Cl)cccc3n2)c1 ZINC000553082673 941829831 /nfs/dbraw/zinc/82/98/31/941829831.db2.gz KKZUKUXVIRULQX-UHFFFAOYSA-N -1 1 422.828 4.395 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1nc2ccccc2n1C(F)F ZINC000553437657 941885004 /nfs/dbraw/zinc/88/50/04/941885004.db2.gz ANDUXKNFIXDZHC-QMMMGPOBSA-N -1 1 421.803 4.403 20 0 HIADMM CCC(CC)(CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C)OC ZINC000553874376 941988646 /nfs/dbraw/zinc/98/86/46/941988646.db2.gz GSHBJDPHHBSQLP-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM O=C(Nc1ccccc1)C1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000554835743 942273746 /nfs/dbraw/zinc/27/37/46/942273746.db2.gz MXQWKBZJVUEHBC-UHFFFAOYSA-N -1 1 409.873 4.085 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000554872417 942302904 /nfs/dbraw/zinc/30/29/04/942302904.db2.gz QFVIKOILRYGNCC-UHFFFAOYSA-N -1 1 424.810 4.286 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3(c4cccnc4)CC3)ccc2C)c1 ZINC000555350603 942488328 /nfs/dbraw/zinc/48/83/28/942488328.db2.gz CZQMESXTPVFQRB-UHFFFAOYSA-N -1 1 421.522 4.170 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CCC(=O)c2ccccc21 ZINC000555814840 942742120 /nfs/dbraw/zinc/74/21/20/942742120.db2.gz DZHBWYRPMQBCCQ-NRFANRHFSA-N -1 1 420.490 4.186 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c2ccccc2n1C ZINC000556351520 942848474 /nfs/dbraw/zinc/84/84/74/942848474.db2.gz AHCMQLFNEHHPLT-IBGZPJMESA-N -1 1 410.499 4.015 20 0 HIADMM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1cccc(Br)c1Cl ZINC000556376824 942851721 /nfs/dbraw/zinc/85/17/21/942851721.db2.gz LEBQSHPVLVTXOI-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM COC(=O)c1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(Br)c1 ZINC000556417403 942860655 /nfs/dbraw/zinc/86/06/55/942860655.db2.gz BESMXWTXZMAOQW-UHFFFAOYSA-N -1 1 419.300 4.492 20 0 HIADMM O=C(CSc1nc2ccccc2[nH]1)Nc1c([O-])cc(Br)cc1Cl ZINC000556846011 942938721 /nfs/dbraw/zinc/93/87/21/942938721.db2.gz UNTREEXBNQDYGJ-UHFFFAOYSA-N -1 1 412.696 4.415 20 0 HIADMM COc1ccc(-n2ccc(C(=O)Nc3c([O-])cc(Br)cc3Cl)n2)cc1 ZINC000556851331 942939694 /nfs/dbraw/zinc/93/96/94/942939694.db2.gz WKRCQWRWMVCNNT-UHFFFAOYSA-N -1 1 422.666 4.255 20 0 HIADMM Cc1ccoc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000557882916 943320018 /nfs/dbraw/zinc/32/00/18/943320018.db2.gz OXOOACBPJCEVOD-UHFFFAOYSA-N -1 1 418.902 4.314 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(OCc2ccccc2)c1 ZINC000557902298 943324793 /nfs/dbraw/zinc/32/47/93/943324793.db2.gz SUFHCZKCMGTTIG-UHFFFAOYSA-N -1 1 405.498 4.297 20 0 HIADMM O=C(NCCC1(F)CCC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000557980349 943345876 /nfs/dbraw/zinc/34/58/76/943345876.db2.gz PIDAKTFNPGIQAO-UHFFFAOYSA-N -1 1 410.898 4.153 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000558143143 943395514 /nfs/dbraw/zinc/39/55/14/943395514.db2.gz LERRWOICAXBMFV-SFHVURJKSA-N -1 1 416.525 4.313 20 0 HIADMM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000558199892 943428525 /nfs/dbraw/zinc/42/85/25/943428525.db2.gz GOKISLXSPYGUQR-BTYIYWSLSA-N -1 1 423.494 4.131 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)cc1Br ZINC000558699141 943630831 /nfs/dbraw/zinc/63/08/31/943630831.db2.gz PHTOZWQPODRMDW-UHFFFAOYSA-N -1 1 411.277 4.098 20 0 HIADMM CCCc1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)n[nH]1 ZINC000559961970 944101277 /nfs/dbraw/zinc/10/12/77/944101277.db2.gz CDHKIIMDMXYTKI-UHFFFAOYSA-N -1 1 413.124 4.232 20 0 HIADMM O=S(=O)([N-]Cc1cccc(COCc2ccco2)c1)c1cc(Cl)ccc1F ZINC000560043607 944138007 /nfs/dbraw/zinc/13/80/07/944138007.db2.gz ZEYNCPDMLIIZJA-UHFFFAOYSA-N -1 1 409.866 4.267 20 0 HIADMM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000560503894 944238509 /nfs/dbraw/zinc/23/85/09/944238509.db2.gz LCQRCSDARFFADO-SNVBAGLBSA-N -1 1 417.731 4.222 20 0 HIADMM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000560595259 944267303 /nfs/dbraw/zinc/26/73/03/944267303.db2.gz MRZLXSMEJCNGPM-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000560976827 944383128 /nfs/dbraw/zinc/38/31/28/944383128.db2.gz WRQFHTZYWQUWKM-UHFFFAOYSA-N -1 1 416.481 4.202 20 0 HIADMM Cc1ccc(Cc2cnc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)s2)cc1Cl ZINC000561030089 944403088 /nfs/dbraw/zinc/40/30/88/944403088.db2.gz LPFGBVZTORMKSC-GFCCVEGCSA-N -1 1 403.813 4.073 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000561114654 944463811 /nfs/dbraw/zinc/46/38/11/944463811.db2.gz YUNRWAACIYYYDB-CQSZACIVSA-N -1 1 404.507 4.115 20 0 HIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000561689027 944748152 /nfs/dbraw/zinc/74/81/52/944748152.db2.gz JKSMFBFHLKCRHP-UHFFFAOYSA-N -1 1 422.375 4.026 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)c1 ZINC000561696324 944751479 /nfs/dbraw/zinc/75/14/79/944751479.db2.gz ZBOPKVCTFBNUFW-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM Cc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)nc(C(F)(F)F)n1 ZINC000561957367 944875699 /nfs/dbraw/zinc/87/56/99/944875699.db2.gz SBPSRGZUJSHCSH-UHFFFAOYSA-N -1 1 410.577 4.178 20 0 HIADMM O=C(NCc1cc2ccccc2[nH]1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000562210547 945020050 /nfs/dbraw/zinc/02/00/50/945020050.db2.gz JBRSXSDAWWRUND-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(F)(F)[C@@H](C)C3)c2)c1 ZINC000564380532 945545194 /nfs/dbraw/zinc/54/51/94/945545194.db2.gz QAPWGPWXTZRRPO-INIZCTEOSA-N -1 1 422.497 4.222 20 0 HIADMM O=C(Nc1nnn[n-]1)c1c2c(nc3ccccc31)C(=Cc1ccc(Cl)cc1)CC2 ZINC000565447774 945831845 /nfs/dbraw/zinc/83/18/45/945831845.db2.gz PNZDEDUJIHUEBV-QBFSEMIESA-N -1 1 402.845 4.140 20 0 HIADMM O=C(Nc1nn[n-]n1)c1c2c(nc3ccccc31)C(=Cc1ccc(Cl)cc1)CC2 ZINC000565447774 945831847 /nfs/dbraw/zinc/83/18/47/945831847.db2.gz PNZDEDUJIHUEBV-QBFSEMIESA-N -1 1 402.845 4.140 20 0 HIADMM CO[C@](C)(c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1)C1CC1 ZINC000565689840 945869478 /nfs/dbraw/zinc/86/94/78/945869478.db2.gz LHXRJLLJIAFSBU-NRFANRHFSA-N -1 1 413.499 4.117 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1ccc(CC(F)(F)F)cc1 ZINC000565815520 945890667 /nfs/dbraw/zinc/89/06/67/945890667.db2.gz CYLLMBNVJLBCJZ-UHFFFAOYSA-N -1 1 420.403 4.173 20 0 HIADMM COc1cc(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc(Cl)c1[O-] ZINC000568299931 946492413 /nfs/dbraw/zinc/49/24/13/946492413.db2.gz XCZGEAREXAXPQB-UHFFFAOYSA-N -1 1 401.850 4.404 20 0 HIADMM CCSc1cccc(Br)c1[N-]S(=O)(=O)c1c(C)nn(CC)c1C ZINC000568457689 946562110 /nfs/dbraw/zinc/56/21/10/946562110.db2.gz JVVJPRPCQVBSQO-UHFFFAOYSA-N -1 1 418.382 4.195 20 0 HIADMM CCCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC)c2)c(C)c1 ZINC000569147306 946822783 /nfs/dbraw/zinc/82/27/83/946822783.db2.gz WAYMUZCJOTXNOL-UHFFFAOYSA-N -1 1 404.532 4.067 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000569592673 946893304 /nfs/dbraw/zinc/89/33/04/946893304.db2.gz ADCBNEPVLABHDF-UHFFFAOYSA-N -1 1 409.490 4.138 20 0 HIADMM CC(=O)c1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1F ZINC000569995679 947064950 /nfs/dbraw/zinc/06/49/50/947064950.db2.gz YZRSHGOZRADFSV-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM CCC(=O)c1ccc(OCC(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000571187355 947535379 /nfs/dbraw/zinc/53/53/79/947535379.db2.gz DANGEDDZJLVCTG-UHFFFAOYSA-N -1 1 412.667 4.418 20 0 HIADMM COc1ccc(-c2ocnc2C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)cc1 ZINC000571199519 947543651 /nfs/dbraw/zinc/54/36/51/947543651.db2.gz ALLXPAPHBVFIMZ-UHFFFAOYSA-N -1 1 406.467 4.738 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CCC(c4c[nH]c5ccc(F)cc54)CC3)cnc2n1 ZINC000572437043 947904780 /nfs/dbraw/zinc/90/47/80/947904780.db2.gz SRBQIWYDXKYLCX-UHFFFAOYSA-N -1 1 404.445 4.284 20 0 HIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(c3c[nH]c4ccc(F)cc43)CC1)c2=O ZINC000572437043 947904786 /nfs/dbraw/zinc/90/47/86/947904786.db2.gz SRBQIWYDXKYLCX-UHFFFAOYSA-N -1 1 404.445 4.284 20 0 HIADMM CCCc1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)c1 ZINC000572588364 947953707 /nfs/dbraw/zinc/95/37/07/947953707.db2.gz VAMPDCWBPPNCKF-UHFFFAOYSA-N -1 1 409.891 4.141 20 0 HIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000572876165 948026749 /nfs/dbraw/zinc/02/67/49/948026749.db2.gz RSHMJHBUQGBRES-UHFFFAOYSA-N -1 1 421.828 4.293 20 0 HIADMM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)c2C1 ZINC000573068864 948075454 /nfs/dbraw/zinc/07/54/54/948075454.db2.gz GMCWEZQDDNMFIA-UHFFFAOYSA-N -1 1 414.449 4.200 20 0 HIADMM CCc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n1 ZINC000573588540 948243588 /nfs/dbraw/zinc/24/35/88/948243588.db2.gz KQDXYWCLFZQPJG-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM COc1cc(NC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000573907907 948325690 /nfs/dbraw/zinc/32/56/90/948325690.db2.gz AXLRHXZQBUSALH-KXBFYZLASA-N -1 1 417.531 4.072 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cnc(C)nc3C3CC3)c2)cc1 ZINC000574836799 948539311 /nfs/dbraw/zinc/53/93/11/948539311.db2.gz HWKZKMZKRSJMBV-UHFFFAOYSA-N -1 1 422.510 4.024 20 0 HIADMM COC1(c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CCCCC1 ZINC000574865822 948546636 /nfs/dbraw/zinc/54/66/36/948546636.db2.gz ACOPXKLBCRTMSK-UHFFFAOYSA-N -1 1 404.268 4.090 20 0 HIADMM Cc1ocnc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000574955922 948564517 /nfs/dbraw/zinc/56/45/17/948564517.db2.gz SYTUTCWIMLUHDT-UHFFFAOYSA-N -1 1 416.846 4.154 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)c3cccc(C)n3)c2)c1 ZINC000575785313 948707142 /nfs/dbraw/zinc/70/71/42/948707142.db2.gz YIVKJJYOHGOCKM-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCC(F)(F)C3)ccc2C)cc1 ZINC000435955419 861217137 /nfs/dbraw/zinc/21/71/37/861217137.db2.gz DSDRYJCRSJUDJK-MRXNPFEDSA-N -1 1 422.497 4.269 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1Br ZINC000436004562 861292721 /nfs/dbraw/zinc/29/27/21/861292721.db2.gz DMNAZILNCYFANK-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccco2)cc1 ZINC000436025047 861317592 /nfs/dbraw/zinc/31/75/92/861317592.db2.gz GLDRPYNIRQRWAV-UHFFFAOYSA-N -1 1 417.512 4.124 20 0 HIADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000436177428 861478613 /nfs/dbraw/zinc/47/86/13/861478613.db2.gz FXWOLKAZEIIZMU-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccs3)cc2)c1 ZINC000004879295 845070217 /nfs/dbraw/zinc/07/02/17/845070217.db2.gz LPILGJLJBVTXEX-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1c(Cl)cccc1C(F)(F)F ZINC000436244760 861553650 /nfs/dbraw/zinc/55/36/50/861553650.db2.gz DFFVFZUAFPFZIS-UHFFFAOYSA-N -1 1 403.813 4.463 20 0 HIADMM CCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)n1 ZINC000436245038 861553932 /nfs/dbraw/zinc/55/39/32/861553932.db2.gz ZWMJYVKVVLWBHN-UHFFFAOYSA-N -1 1 404.492 4.317 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 ZINC000436251841 861561976 /nfs/dbraw/zinc/56/19/76/861561976.db2.gz JQMLAXQQBFKDHD-FQEVSTJZSA-N -1 1 413.930 4.396 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)n1 ZINC000436256297 861568806 /nfs/dbraw/zinc/56/88/06/861568806.db2.gz ADXPIHGVAGMECC-HXUWFJFHSA-N -1 1 411.552 4.073 20 0 HIADMM Cc1c2ccc3ccccc3c2oc1C(=O)[N-]NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000007964799 845454778 /nfs/dbraw/zinc/45/47/78/845454778.db2.gz JVYTYGYCEZCMBM-AWEZNQCLSA-N -1 1 406.413 4.262 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccnc1 ZINC000008834304 845551769 /nfs/dbraw/zinc/55/17/69/845551769.db2.gz VQTNDXRDZPSGFW-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM CCc1cc2c(COC(=O)COc3cc(C)ccc3Cl)cc(=O)oc2cc1[O-] ZINC000009448395 845569513 /nfs/dbraw/zinc/56/95/13/845569513.db2.gz KWLIYPGEMQSGIB-UHFFFAOYSA-N -1 1 402.830 4.145 20 0 HIADMM Cc1ccc(C(=O)c2ccccc2C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000010863251 845718311 /nfs/dbraw/zinc/71/83/11/845718311.db2.gz QOGKASHIMKXNQM-UHFFFAOYSA-N -1 1 414.413 4.395 20 0 HIADMM CCCc1cc(=O)[n-]c(SCc2cc(=O)oc3cc(NC(=O)OCC)ccc23)n1 ZINC000011443410 845796585 /nfs/dbraw/zinc/79/65/85/845796585.db2.gz GUAXEPVFTGSOJN-UHFFFAOYSA-N -1 1 415.471 4.102 20 0 HIADMM CCSc1nnc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1 ZINC000011654177 845822238 /nfs/dbraw/zinc/82/22/38/845822238.db2.gz UVOADLIJXFBIBS-UHFFFAOYSA-N -1 1 414.541 4.212 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000011977859 845845726 /nfs/dbraw/zinc/84/57/26/845845726.db2.gz SHAPSLWUSNLAQU-UHFFFAOYSA-N -1 1 417.538 4.372 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1nc2c(s1)CCCC2 ZINC000011986446 845846815 /nfs/dbraw/zinc/84/68/15/845846815.db2.gz LEMJNDPWRLCCJJ-UHFFFAOYSA-N -1 1 405.936 4.235 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCCCOc2ccc(F)cc2)cc1 ZINC000012392911 845868978 /nfs/dbraw/zinc/86/89/78/845868978.db2.gz JRVGJXNAOOVIRC-UHFFFAOYSA-N -1 1 414.506 4.031 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccccc2OC(F)F)cc1 ZINC000012826773 845892558 /nfs/dbraw/zinc/89/25/58/845892558.db2.gz QJABQGJZECJXOB-UHFFFAOYSA-N -1 1 418.469 4.224 20 0 HIADMM Cc1nn(Cc2ccccc2)c2sc(C(=O)[N-]NC(=O)c3cccc(Cl)c3)cc12 ZINC000014622179 845963997 /nfs/dbraw/zinc/96/39/97/845963997.db2.gz FEENOKMZSAYNOX-UHFFFAOYSA-N -1 1 424.913 4.183 20 0 HIADMM Cc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1C ZINC000015353409 846038791 /nfs/dbraw/zinc/03/87/91/846038791.db2.gz CMUBKYSWZJNQDO-UHFFFAOYSA-N -1 1 412.486 4.425 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000015351861 846038895 /nfs/dbraw/zinc/03/88/95/846038895.db2.gz OBBXYKZVJWUITF-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3cccs3)ccc2C)cc1 ZINC000015385137 846043586 /nfs/dbraw/zinc/04/35/86/846043586.db2.gz HQTVQYTWZPKWEZ-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM Cc1c2cc(Br)ccc2oc1C(=O)[N-]NC(=O)c1c[nH]c2ccccc12 ZINC000015426532 846047413 /nfs/dbraw/zinc/04/74/13/846047413.db2.gz KMILCFPLPMFPMG-UHFFFAOYSA-N -1 1 412.243 4.060 20 0 HIADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000015433980 846048377 /nfs/dbraw/zinc/04/83/77/846048377.db2.gz HVNJMSHXKCOUHX-OKILXGFUSA-N -1 1 424.925 4.398 20 0 HIADMM O=C(Nc1ccc(F)cc1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000015439609 846049502 /nfs/dbraw/zinc/04/95/02/846049502.db2.gz RZZRPTOKROHSSS-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM COc1ccccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015437000 846049813 /nfs/dbraw/zinc/04/98/13/846049813.db2.gz ZWFWQYTVTFDBOU-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM COc1ccccc1OC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000015564798 846064027 /nfs/dbraw/zinc/06/40/27/846064027.db2.gz HASNYDIZOAWRPT-UHFFFAOYSA-N -1 1 411.479 4.332 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)Cc1ccccc1 ZINC000015584541 846067264 /nfs/dbraw/zinc/06/72/64/846067264.db2.gz VHEOASHGZKYBSN-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM O=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000015583950 846067353 /nfs/dbraw/zinc/06/73/53/846067353.db2.gz MMQOMNZFGFRGJJ-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM COc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000015590882 846068144 /nfs/dbraw/zinc/06/81/44/846068144.db2.gz GUHIDTGMKSDPDY-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2)cc1 ZINC000015792114 846091835 /nfs/dbraw/zinc/09/18/35/846091835.db2.gz ROYIKWWOYNJTBT-VWKPWSFCSA-N -1 1 416.543 4.051 20 0 HIADMM C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015797293 846091857 /nfs/dbraw/zinc/09/18/57/846091857.db2.gz KVAMVZDGWDYFTB-ORAYPTAESA-N -1 1 408.470 4.074 20 0 HIADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H]1C ZINC000015791976 846092051 /nfs/dbraw/zinc/09/20/51/846092051.db2.gz DCBQLQIASPNENX-SXGZJXTBSA-N -1 1 404.507 4.181 20 0 HIADMM O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)c1ccc([O-])cc1 ZINC000015812909 846094420 /nfs/dbraw/zinc/09/44/20/846094420.db2.gz CCCHZDADLMSPBK-UHFFFAOYSA-N -1 1 406.438 4.205 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(F)c(Cl)c1 ZINC000016098583 846123643 /nfs/dbraw/zinc/12/36/43/846123643.db2.gz TVQXFVIJNFMSAF-UHFFFAOYSA-N -1 1 420.897 4.265 20 0 HIADMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Br)cc1 ZINC000016126798 846127729 /nfs/dbraw/zinc/12/77/29/846127729.db2.gz BTPBMVNIRGNAOE-UHFFFAOYSA-N -1 1 410.289 4.291 20 0 HIADMM O=C(Nc1cc(F)cc(F)c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000016305225 846150798 /nfs/dbraw/zinc/15/07/98/846150798.db2.gz DWFGXEXDFHDEPX-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000016639329 846193292 /nfs/dbraw/zinc/19/32/92/846193292.db2.gz RPPUCAGDINZBJQ-UHFFFAOYSA-N -1 1 418.906 4.307 20 0 HIADMM CC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000016644084 846194253 /nfs/dbraw/zinc/19/42/53/846194253.db2.gz VXDIBNGVPUTOTN-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CCCc1cc(=O)[n-]c(S[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)n1 ZINC000016752794 846206122 /nfs/dbraw/zinc/20/61/22/846206122.db2.gz VCQFSIWVFBLORF-HXUWFJFHSA-N -1 1 409.511 4.203 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccccc3F)cc2)cc1C ZINC000017064284 846228756 /nfs/dbraw/zinc/22/87/56/846228756.db2.gz FZHXLPANMSWHLW-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM O=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000017117438 846230952 /nfs/dbraw/zinc/23/09/52/846230952.db2.gz PTDXDPRGTJQDQC-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000017156115 846233681 /nfs/dbraw/zinc/23/36/81/846233681.db2.gz XSRIDFOTINUTOM-INIZCTEOSA-N -1 1 410.543 4.144 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000017167483 846234815 /nfs/dbraw/zinc/23/48/15/846234815.db2.gz RFRLWGVNQJWWFC-IAGOWNOFSA-N -1 1 416.543 4.004 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000017305420 846243004 /nfs/dbraw/zinc/24/30/04/846243004.db2.gz OIWGBJZCOHLCCR-UHFFFAOYSA-N -1 1 412.559 4.091 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CCCCC1 ZINC000017357097 846249633 /nfs/dbraw/zinc/24/96/33/846249633.db2.gz SBVHRWSHQZUKOO-UHFFFAOYSA-N -1 1 408.470 4.170 20 0 HIADMM CCCCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000017442781 846254044 /nfs/dbraw/zinc/25/40/44/846254044.db2.gz RIOXLVWUMKJGGM-UHFFFAOYSA-N -1 1 404.532 4.148 20 0 HIADMM CN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000017791421 846269637 /nfs/dbraw/zinc/26/96/37/846269637.db2.gz JMFCRTMMQWWLIQ-UHFFFAOYSA-N -1 1 404.875 4.006 20 0 HIADMM CCc1cc2c(COC(=O)c3ccc(F)cc3Br)cc(=O)oc2cc1[O-] ZINC000017837123 846272642 /nfs/dbraw/zinc/27/26/42/846272642.db2.gz SOQDYKREPPULOW-UHFFFAOYSA-N -1 1 421.218 4.320 20 0 HIADMM COc1ccc(C)cc1CC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000017986942 846282109 /nfs/dbraw/zinc/28/21/09/846282109.db2.gz DGVRMMQQIKMZOH-UHFFFAOYSA-N -1 1 420.490 4.255 20 0 HIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)c(F)c1 ZINC000018016577 846284782 /nfs/dbraw/zinc/28/47/82/846284782.db2.gz MRPJLBCQGNWUTE-AWEZNQCLSA-N -1 1 416.449 4.257 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3C)cc2)cc1C ZINC000018107042 846296447 /nfs/dbraw/zinc/29/64/47/846296447.db2.gz NLUWTVBSZDMSHK-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM C[C@H](c1ccccc1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000018124987 846299657 /nfs/dbraw/zinc/29/96/57/846299657.db2.gz XXMCFJKAJTYJIS-MRXNPFEDSA-N -1 1 412.486 4.460 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccsc3)cc2)cc1 ZINC000018217006 846310795 /nfs/dbraw/zinc/31/07/95/846310795.db2.gz QFAYXILGOIEWTH-UHFFFAOYSA-N -1 1 400.525 4.130 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccncc1 ZINC000021305899 846427108 /nfs/dbraw/zinc/42/71/08/846427108.db2.gz FWFBZGXUIORLBC-UHFFFAOYSA-N -1 1 422.293 4.442 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)cc2)cc1 ZINC000436355987 861680780 /nfs/dbraw/zinc/68/07/80/861680780.db2.gz FLRLMKKCTPFCRQ-IRXDYDNUSA-N -1 1 416.543 4.147 20 0 HIADMM CCCN(CC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000021784838 846494835 /nfs/dbraw/zinc/49/48/35/846494835.db2.gz WFXDCFJAJYNFDP-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000022037359 846523232 /nfs/dbraw/zinc/52/32/32/846523232.db2.gz DPGNCXMDONLRAW-XYPWUTKMSA-N -1 1 422.506 4.090 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccnn3C(C)C)cc2)cc1C ZINC000022291560 846553832 /nfs/dbraw/zinc/55/38/32/846553832.db2.gz ZZOAEBCPVMGCSZ-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM Cc1ccc(F)cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022407478 846567369 /nfs/dbraw/zinc/56/73/69/846567369.db2.gz XOCQXJOMGUBMGF-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)o1 ZINC000022440622 846571509 /nfs/dbraw/zinc/57/15/09/846571509.db2.gz NVILSGRXJLCWRJ-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)CC[C@H]3C)c2)cc1 ZINC000436362660 861695041 /nfs/dbraw/zinc/69/50/41/861695041.db2.gz IRECHWNSHAYQEF-DLBZAZTESA-N -1 1 416.543 4.147 20 0 HIADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1cccc(F)c1 ZINC000022993234 846646762 /nfs/dbraw/zinc/64/67/62/846646762.db2.gz JOGOMCNMDPVOJF-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1C ZINC000023155365 846665120 /nfs/dbraw/zinc/66/51/20/846665120.db2.gz MXJDBRAVAKMJMK-IYBDPMFKSA-N -1 1 400.544 4.222 20 0 HIADMM O=C(COC(=O)c1ccc(CSc2ccccc2)cc1)[N-]C(=O)c1ccccc1 ZINC000023430773 846701824 /nfs/dbraw/zinc/70/18/24/846701824.db2.gz LKTHKOZKPYJHDI-UHFFFAOYSA-N -1 1 405.475 4.092 20 0 HIADMM CC(C)CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000025328159 846959824 /nfs/dbraw/zinc/95/98/24/846959824.db2.gz NXBMEVYSMXHZBL-UHFFFAOYSA-N -1 1 412.914 4.446 20 0 HIADMM O=C(NCc1ccc(Cl)s1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025524474 846991968 /nfs/dbraw/zinc/99/19/68/846991968.db2.gz HTHFQCQQCMYURH-UHFFFAOYSA-N -1 1 406.916 4.132 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nc(C4CC4)cs3)c2)c1 ZINC000025562144 847002608 /nfs/dbraw/zinc/00/26/08/847002608.db2.gz ACUSIMUZNSPTQN-UHFFFAOYSA-N -1 1 413.524 4.382 20 0 HIADMM CCN(CC(C)C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000025974574 847065852 /nfs/dbraw/zinc/06/58/52/847065852.db2.gz AVHVXEGURHADJQ-UHFFFAOYSA-N -1 1 412.914 4.398 20 0 HIADMM Cc1ccsc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000025997765 847070669 /nfs/dbraw/zinc/07/06/69/847070669.db2.gz XOHXINNQAAGYPW-UHFFFAOYSA-N -1 1 422.478 4.066 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)CCc3ccc(Cl)cc3)n2)n[n-]c1=S ZINC000026094345 847082588 /nfs/dbraw/zinc/08/25/88/847082588.db2.gz CMQOBDIBEBITMH-UHFFFAOYSA-N -1 1 419.963 4.399 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1OC ZINC000026536819 847165325 /nfs/dbraw/zinc/16/53/25/847165325.db2.gz OANNXQPYAWIBQR-UHFFFAOYSA-N -1 1 421.462 4.467 20 0 HIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(OCc4ccc(F)cc4)c3)cc2o1 ZINC000026544188 847166113 /nfs/dbraw/zinc/16/61/13/847166113.db2.gz CZNVXQXJSDVGLU-UHFFFAOYSA-N -1 1 414.414 4.052 20 0 HIADMM O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1ccccc1-c1n[nH]c(C2CC2)n1 ZINC000026541340 847166178 /nfs/dbraw/zinc/16/61/78/847166178.db2.gz MKHVLOYAXZSKKN-VAWYXSNFSA-N -1 1 400.891 4.415 20 0 HIADMM C[C@H](c1nnc(SCC(=O)c2ccc([O-])cc2)n1-c1ccccc1)N1CCCCC1 ZINC000027084665 847246375 /nfs/dbraw/zinc/24/63/75/847246375.db2.gz IUPSVCNMXKYLGH-QGZVFWFLSA-N -1 1 422.554 4.495 20 0 HIADMM O=C(NCc1cccs1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000027626862 847329516 /nfs/dbraw/zinc/32/95/16/847329516.db2.gz GUCRFWQAVWEHAJ-UHFFFAOYSA-N -1 1 406.916 4.132 20 0 HIADMM CC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000028282249 847401766 /nfs/dbraw/zinc/40/17/66/847401766.db2.gz VOOVXBRRTPPDSA-LBPRGKRZSA-N -1 1 411.321 4.235 20 0 HIADMM O=C(c1ccc([O-])c(Cl)c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000028874309 847470582 /nfs/dbraw/zinc/47/05/82/847470582.db2.gz PSYDVLLNKDOASC-UHFFFAOYSA-N -1 1 412.839 4.413 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2C(F)(F)F)c(C)c1 ZINC000029047728 847497775 /nfs/dbraw/zinc/49/77/75/847497775.db2.gz SNMKLDMHGCNQIQ-UHFFFAOYSA-N -1 1 416.421 4.090 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1OCC ZINC000029433267 847564036 /nfs/dbraw/zinc/56/40/36/847564036.db2.gz OVKYRYFDOWECBY-UHFFFAOYSA-N -1 1 402.472 4.248 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1C ZINC000029816890 847625044 /nfs/dbraw/zinc/62/50/44/847625044.db2.gz NHEKOPMZADRBPJ-UHFFFAOYSA-N -1 1 409.515 4.212 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3c4ccccc4C[C@@H]3C)c2)cc1 ZINC000030011802 847669798 /nfs/dbraw/zinc/66/97/98/847669798.db2.gz BMCNBEFWSDKZOV-KRWDZBQOSA-N -1 1 406.507 4.387 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3c4ccccc4C[C@@H]3C)c2)c1 ZINC000030011808 847669819 /nfs/dbraw/zinc/66/98/19/847669819.db2.gz UHSUYPPCRCESSI-KRWDZBQOSA-N -1 1 406.507 4.387 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)c([O-])c2)c1 ZINC000030016960 847671802 /nfs/dbraw/zinc/67/18/02/847671802.db2.gz QIANUVCFJRWIBA-UHFFFAOYSA-N -1 1 406.438 4.222 20 0 HIADMM CCOCc1ccc(CNC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000030123499 847681143 /nfs/dbraw/zinc/68/11/43/847681143.db2.gz BLNDVPUJJQNHHY-UHFFFAOYSA-N -1 1 410.543 4.159 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCn4cccc4[C@@H]3C)c2)c1 ZINC000030264133 847693904 /nfs/dbraw/zinc/69/39/04/847693904.db2.gz APSVXHSZUPIZNT-SFHVURJKSA-N -1 1 423.538 4.123 20 0 HIADMM CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1Cl ZINC000030644337 847751046 /nfs/dbraw/zinc/75/10/46/847751046.db2.gz MDCLDYKIMDSRGG-UHFFFAOYSA-N -1 1 414.911 4.049 20 0 HIADMM O=C(Nc1nc2c(s1)CCCC2)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000030673398 847757394 /nfs/dbraw/zinc/75/73/94/847757394.db2.gz AILHMOOYXBZPKQ-UHFFFAOYSA-N -1 1 413.524 4.075 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3ccccc3SC)n2)n[n-]c1=S ZINC000030688246 847759801 /nfs/dbraw/zinc/75/98/01/847759801.db2.gz FNLPWSFHBHTMFE-UHFFFAOYSA-N -1 1 403.558 4.148 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)c1 ZINC000436502127 861826664 /nfs/dbraw/zinc/82/66/64/861826664.db2.gz BLMIKNZZILRODI-UHFFFAOYSA-N -1 1 411.439 4.137 20 0 HIADMM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cn1 ZINC000030873933 847788589 /nfs/dbraw/zinc/78/85/89/847788589.db2.gz YENNBAHAQBWBPK-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1 ZINC000031058128 847815767 /nfs/dbraw/zinc/81/57/67/847815767.db2.gz NKDKYBUZSIXLJB-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000436520943 861833210 /nfs/dbraw/zinc/83/32/10/861833210.db2.gz XWKZQJGPXCBVCI-UHFFFAOYSA-N -1 1 405.410 4.075 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)Cc1cccs1 ZINC000031346268 847867876 /nfs/dbraw/zinc/86/78/76/847867876.db2.gz FBBVRETVGWWMHL-UHFFFAOYSA-N -1 1 418.515 4.269 20 0 HIADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000436536473 861840190 /nfs/dbraw/zinc/84/01/90/861840190.db2.gz VPVWIVWSZLYNSB-AWEZNQCLSA-N -1 1 404.894 4.324 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C(C1CC1)C1CC1 ZINC000436538084 861841311 /nfs/dbraw/zinc/84/13/11/861841311.db2.gz IYVXWPFTYMLACY-UHFFFAOYSA-N -1 1 400.425 4.183 20 0 HIADMM O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436540361 861842295 /nfs/dbraw/zinc/84/22/95/861842295.db2.gz WSFVBAKAAWBLOX-CYBMUJFWSA-N -1 1 406.251 4.029 20 0 HIADMM CCCCn1nccc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436541465 861843188 /nfs/dbraw/zinc/84/31/88/861843188.db2.gz VLLWOAVLVVENAL-UHFFFAOYSA-N -1 1 414.412 4.172 20 0 HIADMM COc1ccc2c(c1)CCN2C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436541438 861843617 /nfs/dbraw/zinc/84/36/17/861843617.db2.gz XJBLCJFKPGZMGF-UHFFFAOYSA-N -1 1 424.403 4.134 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(OCC(F)(F)F)c1 ZINC000031607342 847916346 /nfs/dbraw/zinc/91/63/46/847916346.db2.gz RFUAJLFNHHWKCI-UHFFFAOYSA-N -1 1 414.434 4.249 20 0 HIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000031669183 847926476 /nfs/dbraw/zinc/92/64/76/847926476.db2.gz DMJSQYWXIQHGHR-UHFFFAOYSA-N -1 1 411.321 4.153 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](CC)C3)c2)cc1 ZINC000031680675 847927797 /nfs/dbraw/zinc/92/77/97/847927797.db2.gz LNCPRRGFMKCEKC-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000031681576 847928853 /nfs/dbraw/zinc/92/88/53/847928853.db2.gz UJBXSFWQOUFAIM-HNNXBMFYSA-N -1 1 406.935 4.403 20 0 HIADMM O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)c1cc(F)ccc1[O-])C2 ZINC000436551837 861847573 /nfs/dbraw/zinc/84/75/73/861847573.db2.gz AKNCXEZTVPMGLL-UHFFFAOYSA-N -1 1 405.429 4.374 20 0 HIADMM O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000031722535 847937871 /nfs/dbraw/zinc/93/78/71/847937871.db2.gz RGVOJXCDQHLIGG-UHFFFAOYSA-N -1 1 415.824 4.404 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(OC(C)C)c(Cl)c3)cc2C[C@H]1C ZINC000031721492 847938319 /nfs/dbraw/zinc/93/83/19/847938319.db2.gz KSWYBGBOHBTYIB-CYBMUJFWSA-N -1 1 422.934 4.226 20 0 HIADMM COC[C@@H](C)N(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436552520 861848830 /nfs/dbraw/zinc/84/88/30/861848830.db2.gz XIIBTLVLAVHUMJ-LLVKDONJSA-N -1 1 411.285 4.058 20 0 HIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436558999 861850454 /nfs/dbraw/zinc/85/04/54/861850454.db2.gz XYSACBMVWMKYAM-UHFFFAOYSA-N -1 1 402.372 4.398 20 0 HIADMM Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3cc4ccccc4cc3[O-])no2)cn1 ZINC000436557213 861850871 /nfs/dbraw/zinc/85/08/71/861850871.db2.gz MXUGVOUHQQXEEE-LJQANCHMSA-N -1 1 417.469 4.086 20 0 HIADMM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3ccccc3cc2[O-])c1C ZINC000436562621 861852451 /nfs/dbraw/zinc/85/24/51/861852451.db2.gz LAOZBQXJCXDTLY-FQEVSTJZSA-N -1 1 406.507 4.316 20 0 HIADMM Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1F ZINC000436564068 861853563 /nfs/dbraw/zinc/85/35/63/861853563.db2.gz OBSPQJSRWLCISH-UHFFFAOYSA-N -1 1 420.484 4.162 20 0 HIADMM CC1(C)CCCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436565340 861854288 /nfs/dbraw/zinc/85/42/88/861854288.db2.gz IYCYYSGXKLPKRU-UHFFFAOYSA-N -1 1 417.303 4.422 20 0 HIADMM Cc1csc([C@H](C)NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436565915 861854416 /nfs/dbraw/zinc/85/44/16/861854416.db2.gz SGCWEMYWTXIZJK-NSHDSACASA-N -1 1 417.437 4.179 20 0 HIADMM C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1cccc(O)c1 ZINC000436568804 861855014 /nfs/dbraw/zinc/85/50/14/861855014.db2.gz ZNGZPHZEXFRZNV-GFCCVEGCSA-N -1 1 412.392 4.119 20 0 HIADMM C[C@@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000032394415 848017804 /nfs/dbraw/zinc/01/78/04/848017804.db2.gz GCQCSUPDDXBQAE-VXGBXAGGSA-N -1 1 413.326 4.180 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3C[C@@H]3C)c2)cc1C ZINC000032394056 848018026 /nfs/dbraw/zinc/01/80/26/848018026.db2.gz LYUXYBPSHDKCFU-LSDHHAIUSA-N -1 1 406.935 4.143 20 0 HIADMM C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c2ccccc21 ZINC000436573490 861856651 /nfs/dbraw/zinc/85/66/51/861856651.db2.gz IFMABKGTIYUSPB-AOMKIAJQSA-N -1 1 400.478 4.300 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436574193 861857059 /nfs/dbraw/zinc/85/70/59/861857059.db2.gz FVBZJJPSLMDTCF-FQEVSTJZSA-N -1 1 422.431 4.380 20 0 HIADMM COc1cccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436583170 861859269 /nfs/dbraw/zinc/85/92/69/861859269.db2.gz NJTWMHOAFPVIGC-AOMKIAJQSA-N -1 1 418.493 4.036 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1OC ZINC000032588628 848050197 /nfs/dbraw/zinc/05/01/97/848050197.db2.gz QDHXZTFFBGANGQ-UHFFFAOYSA-N -1 1 407.822 4.150 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c2ccccc12 ZINC000032592080 848050854 /nfs/dbraw/zinc/05/08/54/848050854.db2.gz MDXXZCOUWBAXCS-UHFFFAOYSA-N -1 1 410.495 4.313 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)c2ccccc12 ZINC000032591845 848051233 /nfs/dbraw/zinc/05/12/33/848051233.db2.gz PGKXCNUTKXJERY-UHFFFAOYSA-N -1 1 418.902 4.180 20 0 HIADMM O=C1CCCN1c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000032629689 848055377 /nfs/dbraw/zinc/05/53/77/848055377.db2.gz AAAMISCDTLJJKV-UHFFFAOYSA-N -1 1 403.262 4.060 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)o1 ZINC000032674192 848061520 /nfs/dbraw/zinc/06/15/20/848061520.db2.gz SJYWXXNWZZTIGP-UHFFFAOYSA-N -1 1 416.524 4.208 20 0 HIADMM C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C1 ZINC000032743867 848070899 /nfs/dbraw/zinc/07/08/99/848070899.db2.gz BHCRHJSOSUNBDZ-CYBMUJFWSA-N -1 1 417.303 4.279 20 0 HIADMM CCc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436602277 861866169 /nfs/dbraw/zinc/86/61/69/861866169.db2.gz KZLAIBVKPZWQBB-HXUWFJFHSA-N -1 1 408.523 4.090 20 0 HIADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000033098226 848109487 /nfs/dbraw/zinc/10/94/87/848109487.db2.gz DOYYDSFEGMDFTB-DNVCBOLYSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436606044 861867809 /nfs/dbraw/zinc/86/78/09/861867809.db2.gz LMAWTJSFDNZWRJ-HNNXBMFYSA-N -1 1 414.303 4.118 20 0 HIADMM Cc1ccccc1C[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436618458 861871928 /nfs/dbraw/zinc/87/19/28/861871928.db2.gz NYPPQPJPENBBSW-FDDCHVKYSA-N -1 1 416.521 4.206 20 0 HIADMM CCCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000036661265 848152965 /nfs/dbraw/zinc/15/29/65/848152965.db2.gz LIJFGUTXVAPNIG-UHFFFAOYSA-N -1 1 419.503 4.014 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cc(F)cc(F)c3)cc2)cc1 ZINC000036747703 848159904 /nfs/dbraw/zinc/15/99/04/848159904.db2.gz JIWXCTCBZHZZML-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CC[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436622393 861873492 /nfs/dbraw/zinc/87/34/92/861873492.db2.gz ZBROMNLSDWFUTD-WZONZLPQSA-N -1 1 416.521 4.460 20 0 HIADMM CO[C@H](CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])C1CC1 ZINC000436656366 861884308 /nfs/dbraw/zinc/88/43/08/861884308.db2.gz ILWKLUWEZWZNND-GOSISDBHSA-N -1 1 423.296 4.106 20 0 HIADMM CCCN(CC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000041958832 848268790 /nfs/dbraw/zinc/26/87/90/848268790.db2.gz URXVWEFIEVGJET-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)n1 ZINC000042143635 848292234 /nfs/dbraw/zinc/29/22/34/848292234.db2.gz YTGKHJLXYXGOHN-OAHLLOKOSA-N -1 1 411.531 4.057 20 0 HIADMM Cc1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000042185909 848298680 /nfs/dbraw/zinc/29/86/80/848298680.db2.gz HZUSXZBUGAJSJL-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM CN(Cc1cc2ccccc2o1)C(=O)c1cc(I)ccc1[O-] ZINC000436670425 861889230 /nfs/dbraw/zinc/88/92/30/861889230.db2.gz QZXVEHZEEKJUAA-UHFFFAOYSA-N -1 1 407.207 4.015 20 0 HIADMM CC[C@H](C)n1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1C ZINC000436673696 861890268 /nfs/dbraw/zinc/89/02/68/861890268.db2.gz FYKYAQNKYNNJDS-YCRPNKLZSA-N -1 1 420.513 4.265 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CC=C(c2ccccc2)C1 ZINC000436680338 861892707 /nfs/dbraw/zinc/89/27/07/861892707.db2.gz NGEXCNZFNZFKTB-HSZRJFAPSA-N -1 1 412.489 4.076 20 0 HIADMM O=C(NCCc1cccc(F)c1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436680174 861892856 /nfs/dbraw/zinc/89/28/56/861892856.db2.gz NBPWAGFYSDSTOP-UHFFFAOYSA-N -1 1 414.383 4.034 20 0 HIADMM CO[C@@H](C)CN(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436710775 861899665 /nfs/dbraw/zinc/89/96/65/861899665.db2.gz YRBAPMKCUHLBDW-NSHDSACASA-N -1 1 411.285 4.058 20 0 HIADMM O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000436718260 861904807 /nfs/dbraw/zinc/90/48/07/861904807.db2.gz JWSHKCVKKDNZQR-UHFFFAOYSA-N -1 1 412.243 4.054 20 0 HIADMM C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC12CCC2 ZINC000436721651 861907712 /nfs/dbraw/zinc/90/77/12/861907712.db2.gz MLWUPEXWBDSFSH-LAUBAEHRSA-N -1 1 406.526 4.189 20 0 HIADMM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801522 848605910 /nfs/dbraw/zinc/60/59/10/848605910.db2.gz FRPJNNAGHOLHIO-CABCVRRESA-N -1 1 419.547 4.019 20 0 HIADMM CC(=O)N(c1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1)[C@@H]1C[C@H]1C ZINC000436742366 861924346 /nfs/dbraw/zinc/92/43/46/861924346.db2.gz VYXRQRBIOZASNY-PIGZYNQJSA-N -1 1 403.276 4.168 20 0 HIADMM CCOc1cc(-c2noc(C3C[C@H]4CCC[C@@H](C3)C4=O)n2)cc(Br)c1[O-] ZINC000436743444 861928414 /nfs/dbraw/zinc/92/84/14/861928414.db2.gz HCYQMEPUTXXCCH-QYJAPNMZSA-N -1 1 421.291 4.466 20 0 HIADMM O=C(COc1ccccc1NC(=O)c1ccc2ccccc2c1[O-])Nc1cccnc1 ZINC000436746321 861929305 /nfs/dbraw/zinc/92/93/05/861929305.db2.gz YATCMPPWPZHGPQ-UHFFFAOYSA-N -1 1 413.433 4.210 20 0 HIADMM O=C(NC[C@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-])Nc1ccccc1 ZINC000436752533 861934222 /nfs/dbraw/zinc/93/42/22/861934222.db2.gz BLKMVLQAPRDGCG-HXUWFJFHSA-N -1 1 403.482 4.362 20 0 HIADMM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436752531 861935015 /nfs/dbraw/zinc/93/50/15/861935015.db2.gz BCYUWXVSBJTGKU-ZDUSSCGKSA-N -1 1 417.303 4.422 20 0 HIADMM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000045863808 848742386 /nfs/dbraw/zinc/74/23/86/848742386.db2.gz OKJCWKNTHXPJLH-OAHLLOKOSA-N -1 1 410.470 4.218 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc(C(=O)OC)c3)n2)cc(Br)c1[O-] ZINC000436755475 861941769 /nfs/dbraw/zinc/94/17/69/861941769.db2.gz NBVYUNRXIHFGQU-UHFFFAOYSA-N -1 1 419.231 4.057 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436758032 861944782 /nfs/dbraw/zinc/94/47/82/861944782.db2.gz XFKGLONIRGJUCD-HXUWFJFHSA-N -1 1 423.419 4.295 20 0 HIADMM COc1cc(NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)ccc1[N-]S(C)(=O)=O ZINC000046378323 848836070 /nfs/dbraw/zinc/83/60/70/848836070.db2.gz ZLTNWRPEUZZQJC-UHFFFAOYSA-N -1 1 415.515 4.098 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(-c2ccccc2)on1 ZINC000046588589 848880668 /nfs/dbraw/zinc/88/06/68/848880668.db2.gz OVDOPWNQMFURLT-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cccc1C(=O)N1CCSCC1 ZINC000436765295 861953527 /nfs/dbraw/zinc/95/35/27/861953527.db2.gz WSHIDOVAFHJXBO-UHFFFAOYSA-N -1 1 424.444 4.161 20 0 HIADMM Cc1ccc(C)c(OCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000046611659 848885794 /nfs/dbraw/zinc/88/57/94/848885794.db2.gz FQGNTAQPZHLWTO-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM COc1cccc(CCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000046611803 848886049 /nfs/dbraw/zinc/88/60/49/848886049.db2.gz HXRHLSJEEMOXFL-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM Cc1ccc(NC(=O)CCc2ccsc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612083 848886713 /nfs/dbraw/zinc/88/67/13/848886713.db2.gz AIKGOBDXLULEKI-UHFFFAOYSA-N -1 1 400.525 4.429 20 0 HIADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436766709 861958208 /nfs/dbraw/zinc/95/82/08/861958208.db2.gz SRYUJFZSIJHHGY-WMLDXEAASA-N -1 1 412.486 4.065 20 0 HIADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1csc(COc2ccc(F)cc2)n1 ZINC000046757042 848927621 /nfs/dbraw/zinc/92/76/21/848927621.db2.gz HSCLKWHWYQPRFL-UHFFFAOYSA-N -1 1 413.459 4.027 20 0 HIADMM CCOc1cc(-c2noc([C@@H](C)c3c(C)nn(C)c3C)n2)cc(Br)c1[O-] ZINC000436767612 861959374 /nfs/dbraw/zinc/95/93/74/861959374.db2.gz GKXPIBZXCYTGIQ-VIFPVBQESA-N -1 1 421.295 4.106 20 0 HIADMM CCOc1cc(-c2noc(COCc3ccccc3)n2)cc(Br)c1[O-] ZINC000436771476 861964002 /nfs/dbraw/zinc/96/40/02/861964002.db2.gz VWVJXZLUHRKHBJ-UHFFFAOYSA-N -1 1 405.248 4.320 20 0 HIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000047432482 849045555 /nfs/dbraw/zinc/04/55/55/849045555.db2.gz HOATYQHQHMZGTC-UHFFFAOYSA-N -1 1 409.873 4.171 20 0 HIADMM CCOc1cc(-c2noc(CCc3cncc(C)c3)n2)cc(Br)c1[O-] ZINC000436783964 861976666 /nfs/dbraw/zinc/97/66/66/861976666.db2.gz OHAPQTNMKXESBN-UHFFFAOYSA-N -1 1 404.264 4.092 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000436816802 862001629 /nfs/dbraw/zinc/00/16/29/862001629.db2.gz PPIKHTDGWBQCDH-UHFFFAOYSA-N -1 1 408.267 4.115 20 0 HIADMM Cc1c(NC(=O)c2cc(I)ccc2[O-])cccc1-c1ncco1 ZINC000436824310 862005218 /nfs/dbraw/zinc/00/52/18/862005218.db2.gz GLQIDLXOHHYWND-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1 ZINC000050534190 849392400 /nfs/dbraw/zinc/39/24/00/849392400.db2.gz WUSASPLPXZGJOC-UHFFFAOYSA-N -1 1 400.544 4.198 20 0 HIADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000050900906 849419701 /nfs/dbraw/zinc/41/97/01/849419701.db2.gz NXSNBWYZQJQOPB-SJLPKXTDSA-N -1 1 407.628 4.038 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3cccc(OCCC)c3)n2)n[n-]c1=S ZINC000052314713 849569866 /nfs/dbraw/zinc/56/98/66/849569866.db2.gz AGUOOIPJRSBGHG-UHFFFAOYSA-N -1 1 415.544 4.215 20 0 HIADMM Cc1ccc(NC(=S)N[N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1C ZINC000052933943 849645228 /nfs/dbraw/zinc/64/52/28/849645228.db2.gz AYQGBKTVHZOCFV-UHFFFAOYSA-N -1 1 400.485 4.058 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1 ZINC000053279628 849689391 /nfs/dbraw/zinc/68/93/91/849689391.db2.gz MZBNGOXNVCBOFJ-UHFFFAOYSA-N -1 1 410.499 4.452 20 0 HIADMM [O-]c1ccc(-c2noc(Cc3cc4c(cc3Br)OCCO4)n2)c(Cl)c1 ZINC000436868656 862046702 /nfs/dbraw/zinc/04/67/02/862046702.db2.gz BFJHBIBRYMMLAC-UHFFFAOYSA-N -1 1 423.650 4.220 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(NC(C)C)nc3)n2)cc(Br)c1[O-] ZINC000436871319 862048226 /nfs/dbraw/zinc/04/82/26/862048226.db2.gz KAGPISCHXAJEHJ-UHFFFAOYSA-N -1 1 419.279 4.486 20 0 HIADMM O=C(CCc1cc(F)ccc1F)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000053512279 849723074 /nfs/dbraw/zinc/72/30/74/849723074.db2.gz VHOQDQXRTQTMJX-UHFFFAOYSA-N -1 1 416.449 4.337 20 0 HIADMM CCN(CC)c1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cn1 ZINC000053507580 849723604 /nfs/dbraw/zinc/72/36/04/849723604.db2.gz HIAABDNFXQIKKN-UHFFFAOYSA-N -1 1 410.547 4.186 20 0 HIADMM [O-]c1ccc(-c2noc([C@H]3CCO[C@@H]3c3cnn(Cc4ccccc4)c3)n2)c(F)c1 ZINC000436874393 862049460 /nfs/dbraw/zinc/04/94/60/862049460.db2.gz QANJRFOCXAUGBT-AZUAARDMSA-N -1 1 406.417 4.071 20 0 HIADMM COc1cc(-c2noc(-c3ccccc3-n3cccn3)n2)cc(Br)c1[O-] ZINC000436872420 862049811 /nfs/dbraw/zinc/04/98/11/862049811.db2.gz KPRATOJNZBJBTI-UHFFFAOYSA-N -1 1 413.231 4.066 20 0 HIADMM O=C1CC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)[C@@H](c2ccncc2)N1C1CC1 ZINC000436873219 862049976 /nfs/dbraw/zinc/04/99/76/862049976.db2.gz OWUYLIBNMRWCPA-QFBILLFUSA-N -1 1 410.861 4.100 20 0 HIADMM [O-]c1ccc(-c2noc(-c3ccc(Br)cc3-n3cncn3)n2)c(Cl)c1 ZINC000436873764 862050354 /nfs/dbraw/zinc/05/03/54/862050354.db2.gz QXALZRSNSPNOGL-UHFFFAOYSA-N -1 1 418.638 4.106 20 0 HIADMM [O-]c1ccc(-c2noc([C@@H](c3cc(Cl)cc(Cl)c3)N3CCOCC3)n2)c(F)c1 ZINC000436876836 862054215 /nfs/dbraw/zinc/05/42/15/862054215.db2.gz BOIYWIHJGAEFOW-QGZVFWFLSA-N -1 1 424.259 4.310 20 0 HIADMM COc1cc(-c2noc(CCC(=O)c3ccc(C)s3)n2)cc(Br)c1[O-] ZINC000436877273 862054254 /nfs/dbraw/zinc/05/42/54/862054254.db2.gz FOTNISPFULBJJU-UHFFFAOYSA-N -1 1 423.288 4.399 20 0 HIADMM Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436879410 862056227 /nfs/dbraw/zinc/05/62/27/862056227.db2.gz NFUQXUINGUGBCF-YWZLYKJASA-N -1 1 406.417 4.321 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([O-])cc1F ZINC000436881293 862059112 /nfs/dbraw/zinc/05/91/12/862059112.db2.gz RXUFNPUQAPCLPG-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM COc1c2ccccc2[nH]c1-c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436878998 862056848 /nfs/dbraw/zinc/05/68/48/862056848.db2.gz LSWPDKSRBDOJJH-UHFFFAOYSA-N -1 1 416.231 4.370 20 0 HIADMM CCOc1cc(-c2noc(CCC(=O)c3ccc(Cl)cn3)n2)cc(Cl)c1[O-] ZINC000436878529 862057262 /nfs/dbraw/zinc/05/72/62/862057262.db2.gz UJSGSTIYAXZJRO-UHFFFAOYSA-N -1 1 408.241 4.358 20 0 HIADMM COc1ccc(F)cc1[C@@H](C)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000054010663 849798296 /nfs/dbraw/zinc/79/82/96/849798296.db2.gz NRGSPENZLBQYEE-CQSZACIVSA-N -1 1 414.506 4.331 20 0 HIADMM COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436880530 862058359 /nfs/dbraw/zinc/05/83/59/862058359.db2.gz ROHKMPNLICYNRS-INIZCTEOSA-N -1 1 417.824 4.221 20 0 HIADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C)c(C(F)(F)F)c3)ccc21 ZINC000054189171 849822827 /nfs/dbraw/zinc/82/28/27/849822827.db2.gz UFVSGRVVUXZGMY-UHFFFAOYSA-N -1 1 412.433 4.114 20 0 HIADMM O=C(Nc1nc(-c2cccc(Br)c2)cs1)C(=O)c1ccc([O-])cc1 ZINC000436882661 862061158 /nfs/dbraw/zinc/06/11/58/862061158.db2.gz UJXGWZASLAQQLI-UHFFFAOYSA-N -1 1 403.257 4.100 20 0 HIADMM Cc1cccnc1-c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436887032 862064583 /nfs/dbraw/zinc/06/45/83/862064583.db2.gz INXKJMQNDWYRSV-UHFFFAOYSA-N -1 1 408.364 4.343 20 0 HIADMM O=C(Nc1ccc(-c2nc(CC3CC3)no2)c([O-])c1)c1cccc(Br)c1 ZINC000436889067 862065767 /nfs/dbraw/zinc/06/57/67/862065767.db2.gz APPAFUYKYTWTAP-UHFFFAOYSA-N -1 1 414.259 4.410 20 0 HIADMM CCOc1cc(-c2noc(/C=C/c3ccc(OC)cn3)n2)cc(Br)c1[O-] ZINC000436892131 862067957 /nfs/dbraw/zinc/06/79/57/862067957.db2.gz KOROVAOAAKFGDS-FNORWQNLSA-N -1 1 418.247 4.177 20 0 HIADMM COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(-c4ccsc4)no3)c([O-])c2)c1 ZINC000436895489 862071985 /nfs/dbraw/zinc/07/19/85/862071985.db2.gz XBELTXHPQYIKBD-UHFFFAOYSA-N -1 1 423.450 4.440 20 0 HIADMM C[C@@H]1CCCN(c2nc([O-])c(CC(=O)Nc3ccc(SC(F)F)cc3)s2)C1 ZINC000055117818 849973189 /nfs/dbraw/zinc/97/31/89/849973189.db2.gz IMKRVCGVALWCPS-RISCZKNCSA-N -1 1 413.515 4.060 20 0 HIADMM COc1ccc(-c2nc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)no2)c([O-])c1 ZINC000436903201 862079566 /nfs/dbraw/zinc/07/95/66/862079566.db2.gz LXGGRPABGQBFSP-UHFFFAOYSA-N -1 1 415.449 4.356 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NNc3ccc(F)cc3)cc2)cc1C ZINC000055544472 850049726 /nfs/dbraw/zinc/04/97/26/850049726.db2.gz DIQLMTOSPBTOKD-UHFFFAOYSA-N -1 1 413.474 4.000 20 0 HIADMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000055558026 850053409 /nfs/dbraw/zinc/05/34/09/850053409.db2.gz DVEROUWIJMWDPC-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CCC(=O)c1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436909455 862086655 /nfs/dbraw/zinc/08/66/55/862086655.db2.gz LTIJTHKTIALOMQ-OAQYLSRUSA-N -1 1 416.477 4.381 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2C)cc1F ZINC000055581690 850063586 /nfs/dbraw/zinc/06/35/86/850063586.db2.gz MOPULFDLODYOCH-UHFFFAOYSA-N -1 1 414.506 4.228 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)c1 ZINC000055594027 850070186 /nfs/dbraw/zinc/07/01/86/850070186.db2.gz DDYDXWROOGYSBR-UHFFFAOYSA-N -1 1 418.490 4.348 20 0 HIADMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000055632374 850083149 /nfs/dbraw/zinc/08/31/49/850083149.db2.gz OGWGCARWAGYBKC-UHFFFAOYSA-N -1 1 400.422 4.035 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1Cl ZINC000055633057 850083990 /nfs/dbraw/zinc/08/39/90/850083990.db2.gz GUNISIWCTXWXQX-UHFFFAOYSA-N -1 1 407.875 4.459 20 0 HIADMM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000055651311 850096783 /nfs/dbraw/zinc/09/67/83/850096783.db2.gz BZYXDMYSQQXPCV-UHFFFAOYSA-N -1 1 406.935 4.321 20 0 HIADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000055657112 850101823 /nfs/dbraw/zinc/10/18/23/850101823.db2.gz RBLPPJWZQGEQNI-NRFANRHFSA-N -1 1 410.470 4.044 20 0 HIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1 ZINC000055688053 850112302 /nfs/dbraw/zinc/11/23/02/850112302.db2.gz AQAPFMARODCMAL-UHFFFAOYSA-N -1 1 413.495 4.092 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1csc(-c2ccccc2F)n1 ZINC000436915003 862093820 /nfs/dbraw/zinc/09/38/20/862093820.db2.gz MKQKWISOVKUOTJ-UHFFFAOYSA-N -1 1 415.837 4.346 20 0 HIADMM O=C(COc1cc(Cl)ccc1Cl)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915120 862096631 /nfs/dbraw/zinc/09/66/31/862096631.db2.gz PATHYUIKMFJIEJ-UHFFFAOYSA-N -1 1 413.648 4.155 20 0 HIADMM O=C(COc1cc(Cl)ccc1Cl)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915120 862096635 /nfs/dbraw/zinc/09/66/35/862096635.db2.gz PATHYUIKMFJIEJ-UHFFFAOYSA-N -1 1 413.648 4.155 20 0 HIADMM Cc1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c(O)c1 ZINC000436916777 862099062 /nfs/dbraw/zinc/09/90/62/862099062.db2.gz XPQJKJCWYWSUPK-UHFFFAOYSA-N -1 1 401.054 4.184 20 0 HIADMM CCCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@H](C)c1cc2ccccc2o1 ZINC000056192901 850277737 /nfs/dbraw/zinc/27/77/37/850277737.db2.gz KUNMYNABOAFCMP-OAHLLOKOSA-N -1 1 413.543 4.479 20 0 HIADMM CC[C@H](C)Oc1ccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436954277 862132944 /nfs/dbraw/zinc/13/29/44/862132944.db2.gz UZHRNCKCLPBITJ-ZDUSSCGKSA-N -1 1 409.442 4.371 20 0 HIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@H]1CCc2cc(C)ccc21 ZINC000056842094 850500723 /nfs/dbraw/zinc/50/07/23/850500723.db2.gz RLELMEWFQUVIGO-SFHVURJKSA-N -1 1 406.511 4.058 20 0 HIADMM C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931761 850518852 /nfs/dbraw/zinc/51/88/52/850518852.db2.gz VZIIBIMHOSPFPB-HNNXBMFYSA-N -1 1 414.458 4.033 20 0 HIADMM CCOC(=O)c1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1 ZINC000436958120 862139288 /nfs/dbraw/zinc/13/92/88/862139288.db2.gz ZJURUOPEOQOODT-UHFFFAOYSA-N -1 1 419.231 4.057 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2)c2ccccc12 ZINC000057119060 850550349 /nfs/dbraw/zinc/55/03/49/850550349.db2.gz ALNWRVOVLLMWQZ-UHFFFAOYSA-N -1 1 400.456 4.218 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(COCCOC)c2)c2ccccc12 ZINC000057118825 850550520 /nfs/dbraw/zinc/55/05/20/850550520.db2.gz XUOQULVVEXANLT-UHFFFAOYSA-N -1 1 415.511 4.202 20 0 HIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000057115455 850550581 /nfs/dbraw/zinc/55/05/81/850550581.db2.gz FLRPINPQHARUIX-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM CCCCOc1ccccc1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436960508 862140642 /nfs/dbraw/zinc/14/06/42/862140642.db2.gz QSNHDLLMVHRHNB-UHFFFAOYSA-N -1 1 409.442 4.372 20 0 HIADMM COc1cc(CNC(=O)c2cc3ccccc3cc2[O-])cc(Br)c1OC ZINC000436959943 862141487 /nfs/dbraw/zinc/14/14/87/862141487.db2.gz FTRMIJHQHYNVTI-UHFFFAOYSA-N -1 1 416.271 4.255 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)cc2NC(C)C)c1 ZINC000436965013 862145429 /nfs/dbraw/zinc/14/54/29/862145429.db2.gz HKDSYIIIQKNCCR-UHFFFAOYSA-N -1 1 412.421 4.153 20 0 HIADMM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1cccc(F)c1F ZINC000436968833 862148681 /nfs/dbraw/zinc/14/86/81/862148681.db2.gz XIIITKFSFSICTI-JLTOFOAXSA-N -1 1 424.447 4.306 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(OC(F)F)c(F)c1 ZINC000057391601 850627426 /nfs/dbraw/zinc/62/74/26/850627426.db2.gz MAUMIDPSMSNEQM-UHFFFAOYSA-N -1 1 400.407 4.048 20 0 HIADMM O=C(NCCC[C@H]1CCCCO1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436976851 862154152 /nfs/dbraw/zinc/15/41/52/862154152.db2.gz CMYMEPVADAYYGP-GOSISDBHSA-N -1 1 418.440 4.002 20 0 HIADMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C(N)=O)cc4)cc3)sc2c1 ZINC000057680032 850695560 /nfs/dbraw/zinc/69/55/60/850695560.db2.gz JQCNGELWLPRIMP-UHFFFAOYSA-N -1 1 423.519 4.171 20 0 HIADMM CCOc1cc(-c2noc(Cc3nc(C)sc3C)n2)cc(Br)c1[O-] ZINC000436983746 862161439 /nfs/dbraw/zinc/16/14/39/862161439.db2.gz XRMMEZMLPTUMQP-UHFFFAOYSA-N -1 1 410.293 4.268 20 0 HIADMM Cc1ccc(C[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436983235 862162429 /nfs/dbraw/zinc/16/24/29/862162429.db2.gz WCUCDCONNHCRJA-VFNWGFHPSA-N -1 1 422.550 4.267 20 0 HIADMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc(I)ccc1[O-] ZINC000436988658 862164081 /nfs/dbraw/zinc/16/40/81/862164081.db2.gz XFCAKSPXDDGRMO-UHFFFAOYSA-N -1 1 420.250 4.140 20 0 HIADMM Cc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058149996 850772706 /nfs/dbraw/zinc/77/27/06/850772706.db2.gz RHDNRYIQKBUWPP-UHFFFAOYSA-N -1 1 406.507 4.466 20 0 HIADMM O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc([O-])cc1F ZINC000436989146 862166769 /nfs/dbraw/zinc/16/67/69/862166769.db2.gz YPGWPGZUMRBVHX-IBGZPJMESA-N -1 1 415.262 4.403 20 0 HIADMM CN(CC1CCCC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000058295058 850795290 /nfs/dbraw/zinc/79/52/90/850795290.db2.gz SOTBCWYBWLLKER-UHFFFAOYSA-N -1 1 408.470 4.028 20 0 HIADMM COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000058607863 850866475 /nfs/dbraw/zinc/86/64/75/850866475.db2.gz QYHJGWDXIYPCGC-CXUHLZMHSA-N -1 1 422.872 4.402 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccc(C)cc3C)cc2)cc1 ZINC000058689578 850889734 /nfs/dbraw/zinc/88/97/34/850889734.db2.gz ACSUKRXSGZEERU-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](Cc1ccc(F)cc1)C(C)C ZINC000437010253 862186659 /nfs/dbraw/zinc/18/66/59/862186659.db2.gz OOVWEYKEJAPARY-OAQYLSRUSA-N -1 1 422.504 4.008 20 0 HIADMM O=C(CCn1ccc2ccccc21)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058979615 850971659 /nfs/dbraw/zinc/97/16/59/850971659.db2.gz UTNKSTQJAFOXIA-UHFFFAOYSA-N -1 1 419.506 4.471 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000060293371 851058982 /nfs/dbraw/zinc/05/89/82/851058982.db2.gz YDHVEMSZRICVDK-UHFFFAOYSA-N -1 1 424.917 4.394 20 0 HIADMM Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)c1 ZINC000060401391 851087826 /nfs/dbraw/zinc/08/78/26/851087826.db2.gz CQQXUZLULHTFOT-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM CCOc1ccccc1CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401357 851087969 /nfs/dbraw/zinc/08/79/69/851087969.db2.gz ZVRJXDLQYRGLFG-UHFFFAOYSA-N -1 1 424.522 4.457 20 0 HIADMM O=C(NCC(F)(F)F)N[N-]C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000060411220 851090944 /nfs/dbraw/zinc/09/09/44/851090944.db2.gz QMDNWFNCHBXWIN-UHFFFAOYSA-N -1 1 412.220 4.228 20 0 HIADMM Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412092 851091212 /nfs/dbraw/zinc/09/12/12/851091212.db2.gz XEWOMTWODVEONL-UHFFFAOYSA-N -1 1 421.478 4.118 20 0 HIADMM Cc1ccc(NC(=O)CCOc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412095 851091350 /nfs/dbraw/zinc/09/13/50/851091350.db2.gz SFRDBRFTUTYXKQ-UHFFFAOYSA-N -1 1 410.495 4.203 20 0 HIADMM O=C(NC1(c2ccccc2)CCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000060569644 851151071 /nfs/dbraw/zinc/15/10/71/851151071.db2.gz WFYZBLVIUBEESO-UHFFFAOYSA-N -1 1 424.497 4.436 20 0 HIADMM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000060950108 851255543 /nfs/dbraw/zinc/25/55/43/851255543.db2.gz MSJLNDYSIUSDDM-UHFFFAOYSA-N -1 1 404.344 4.082 20 0 HIADMM CCOC(=O)C=Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000061354150 851356487 /nfs/dbraw/zinc/35/64/87/851356487.db2.gz KWBNWANKPNXFLQ-LFYBBSHMSA-N -1 1 422.481 4.095 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1sc2ccccc2c1C ZINC000062295160 851525689 /nfs/dbraw/zinc/52/56/89/851525689.db2.gz RYMXMWZAVKKGCO-UHFFFAOYSA-N -1 1 417.508 4.011 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)cc1 ZINC000063178893 851628152 /nfs/dbraw/zinc/62/81/52/851628152.db2.gz VIQAMHCJAXGMHZ-UHFFFAOYSA-N -1 1 400.504 4.150 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1C ZINC000063181304 851629476 /nfs/dbraw/zinc/62/94/76/851629476.db2.gz WMNSQHXSMQRBLI-UHFFFAOYSA-N -1 1 411.321 4.297 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1C ZINC000063181328 851629552 /nfs/dbraw/zinc/62/95/52/851629552.db2.gz AMNVQLNUUFNOJW-UHFFFAOYSA-N -1 1 411.321 4.297 20 0 HIADMM C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000063273927 851647664 /nfs/dbraw/zinc/64/76/64/851647664.db2.gz MGQXUQYLULQKKD-HNNXBMFYSA-N -1 1 406.935 4.403 20 0 HIADMM CC[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CCS1 ZINC000437088826 862280511 /nfs/dbraw/zinc/28/05/11/862280511.db2.gz ZHRXEVLCOMOODN-LJQANCHMSA-N -1 1 418.584 4.072 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c(Cl)cc1F ZINC000063877758 851783267 /nfs/dbraw/zinc/78/32/67/851783267.db2.gz XYWRIOFUZGHDLX-UHFFFAOYSA-N -1 1 412.851 4.102 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063912368 851792514 /nfs/dbraw/zinc/79/25/14/851792514.db2.gz DWFYPUUIJSVIJC-UHFFFAOYSA-N -1 1 404.385 4.384 20 0 HIADMM CCCCc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n[nH]1 ZINC000064078744 851824437 /nfs/dbraw/zinc/82/44/37/851824437.db2.gz WHMXWJKWLBGVJA-UHFFFAOYSA-N -1 1 412.515 4.114 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(OCCC(C)C)c3)cc2C[C@H]1C ZINC000064374028 851881779 /nfs/dbraw/zinc/88/17/79/851881779.db2.gz KOYIVOGOAJGMOQ-MRXNPFEDSA-N -1 1 416.543 4.210 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CN(C)c3ccccc3)ccc2C)c1 ZINC000064384268 851883958 /nfs/dbraw/zinc/88/39/58/851883958.db2.gz DXGZSKUJJQDUQD-UHFFFAOYSA-N -1 1 423.538 4.179 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1Cl ZINC000064475853 851908058 /nfs/dbraw/zinc/90/80/58/851908058.db2.gz CJXKAMAJNAQVRI-UHFFFAOYSA-N -1 1 412.964 4.345 20 0 HIADMM Cc1ccc(NC(=O)[C@@H](C)OCC2CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000064851423 852004952 /nfs/dbraw/zinc/00/49/52/852004952.db2.gz SEXVNYLRYIJSDQ-CQSZACIVSA-N -1 1 422.934 4.203 20 0 HIADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(SC(F)(F)F)cc3)ccc21 ZINC000064937733 852026497 /nfs/dbraw/zinc/02/64/97/852026497.db2.gz QXCYKVHRDCZRHL-UHFFFAOYSA-N -1 1 416.446 4.008 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C(C3CC3)C3CC3)ccc2C)c1 ZINC000065142973 852077275 /nfs/dbraw/zinc/07/72/75/852077275.db2.gz SPRXGSBQJUQSRO-UHFFFAOYSA-N -1 1 412.555 4.365 20 0 HIADMM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[N-]NC(=O)NCCc1cccs1 ZINC000065202092 852086182 /nfs/dbraw/zinc/08/61/82/852086182.db2.gz XRFKNDMBMZIFGB-UHFFFAOYSA-N -1 1 420.947 4.020 20 0 HIADMM COc1ccc(CCC(=O)N[N-]C(=O)c2oc3c(ccc4ccccc34)c2C)cc1 ZINC000065741041 852240910 /nfs/dbraw/zinc/24/09/10/852240910.db2.gz KHVYQGNGAXSECS-UHFFFAOYSA-N -1 1 402.450 4.297 20 0 HIADMM CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000065758568 852246554 /nfs/dbraw/zinc/24/65/54/852246554.db2.gz QJKOKPHVDVNGRC-UHFFFAOYSA-N -1 1 412.536 4.139 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065925010 852316972 /nfs/dbraw/zinc/31/69/72/852316972.db2.gz USJVDHDVCHXMKS-JOIKAWEESA-N -1 1 410.539 4.138 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@H](C)C3)c2)c1 ZINC000068883112 852374333 /nfs/dbraw/zinc/37/43/33/852374333.db2.gz ZICPVNJKYQJKCG-HNNXBMFYSA-N -1 1 406.935 4.321 20 0 HIADMM O=C(Nc1ccccc1OCC(F)(F)F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000071902000 852427488 /nfs/dbraw/zinc/42/74/88/852427488.db2.gz JTFAXVNACROSMO-UHFFFAOYSA-N -1 1 422.403 4.460 20 0 HIADMM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1C(F)(F)F ZINC000072035750 852478154 /nfs/dbraw/zinc/47/81/54/852478154.db2.gz ZDLFTEFOMWLRSE-OAHLLOKOSA-N -1 1 411.405 4.234 20 0 HIADMM CCc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n1 ZINC000078515351 852518861 /nfs/dbraw/zinc/51/88/61/852518861.db2.gz OSVYVJXVOHHGEZ-UHFFFAOYSA-N -1 1 415.540 4.375 20 0 HIADMM CCN(C(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S)c1ccc(F)cc1 ZINC000096968763 852565500 /nfs/dbraw/zinc/56/55/00/852565500.db2.gz DBDXNHKUDKZVMP-UHFFFAOYSA-N -1 1 400.479 4.199 20 0 HIADMM CCn1c(CCNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)n[n-]c1=S ZINC000097552863 852630358 /nfs/dbraw/zinc/63/03/58/852630358.db2.gz BOGKLFNVSRVLIM-SECBINFHSA-N -1 1 405.376 4.107 20 0 HIADMM O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000098066708 852652285 /nfs/dbraw/zinc/65/22/85/852652285.db2.gz FLDSUDZZTMVUML-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM O=C1C(=Cc2ccc([O-])c(Cl)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000105447662 852706566 /nfs/dbraw/zinc/70/65/66/852706566.db2.gz YLHZUAKTBXUIEK-JYRVWZFOSA-N -1 1 414.792 4.206 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(F)cc2F)cc1 ZINC000105719054 852724138 /nfs/dbraw/zinc/72/41/38/852724138.db2.gz LPDMKFLDUCSBJI-UHFFFAOYSA-N -1 1 402.470 4.243 20 0 HIADMM CC(C)Oc1ccccc1CNC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000108571884 852860985 /nfs/dbraw/zinc/86/09/85/852860985.db2.gz RBPUCARANHPKTN-UHFFFAOYSA-N -1 1 402.545 4.163 20 0 HIADMM COc1ccc(CC[C@H](C)NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000109298282 852948824 /nfs/dbraw/zinc/94/88/24/852948824.db2.gz GTPLMPXIVCBKLC-INIZCTEOSA-N -1 1 410.543 4.062 20 0 HIADMM Cc1cc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(C)o1 ZINC000109308696 852950907 /nfs/dbraw/zinc/95/09/07/852950907.db2.gz CDDDYTBBMIMVEH-INIZCTEOSA-N -1 1 412.511 4.497 20 0 HIADMM Cc1nc(COC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)oc1C ZINC000109440912 852971122 /nfs/dbraw/zinc/97/11/22/852971122.db2.gz DOLIQYLUDHBERI-UHFFFAOYSA-N -1 1 414.483 4.066 20 0 HIADMM CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000110015058 853047404 /nfs/dbraw/zinc/04/74/04/853047404.db2.gz UHKBBMCEQSSVEK-OAQYLSRUSA-N -1 1 404.466 4.187 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H](Nc3ccccc3)C2)c1 ZINC000110551588 853115880 /nfs/dbraw/zinc/11/58/80/853115880.db2.gz WJKPUECYHGNPAY-IBGZPJMESA-N -1 1 407.543 4.019 20 0 HIADMM CN(Cc1ccsc1)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000115208749 853247830 /nfs/dbraw/zinc/24/78/30/853247830.db2.gz PRUPTCXKGRYRNV-UHFFFAOYSA-N -1 1 420.943 4.475 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000116097231 853283421 /nfs/dbraw/zinc/28/34/21/853283421.db2.gz PYQDNWVBHHXWBM-UHFFFAOYSA-N -1 1 422.488 4.283 20 0 HIADMM CCN(CCC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000116276546 853296076 /nfs/dbraw/zinc/29/60/76/853296076.db2.gz FSVUIWAJFNYSRG-UHFFFAOYSA-N -1 1 414.449 4.210 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c(Br)c1 ZINC000135355601 853374833 /nfs/dbraw/zinc/37/48/33/853374833.db2.gz GLTPZNIZRCTGFK-UHFFFAOYSA-N -1 1 423.101 4.460 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000138978885 853401815 /nfs/dbraw/zinc/40/18/15/853401815.db2.gz LAOCBVIOWXMTBX-RBBKRZOGSA-N -1 1 406.507 4.082 20 0 HIADMM C[C@@H]1CN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)C[C@H](c2ccccc2)O1 ZINC000143474863 853515994 /nfs/dbraw/zinc/51/59/94/853515994.db2.gz BCTVXTBVWDVWAR-GDBMZVCRSA-N -1 1 414.556 4.048 20 0 HIADMM C[C@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000195700167 853766290 /nfs/dbraw/zinc/76/62/90/853766290.db2.gz XNVVXFGJINXBMZ-KBPBESRZSA-N -1 1 414.449 4.120 20 0 HIADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000216140475 853845164 /nfs/dbraw/zinc/84/51/64/853845164.db2.gz SRYXARFCVQXUNZ-UHFFFAOYSA-N -1 1 414.449 4.211 20 0 HIADMM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1cccnc1 ZINC000248274396 854189667 /nfs/dbraw/zinc/18/96/67/854189667.db2.gz XPUDCUGAYVVCCU-AWEZNQCLSA-N -1 1 415.902 4.027 20 0 HIADMM C[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000261379025 854239380 /nfs/dbraw/zinc/23/93/80/854239380.db2.gz BAKIHWZNGRDDOZ-LBPRGKRZSA-N -1 1 413.326 4.276 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(O)c3)c2)c1 ZINC000301314991 854356021 /nfs/dbraw/zinc/35/60/21/854356021.db2.gz MANHVUUUGZRVAP-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM Cc1nc(-c2ccc(NCCCC(=O)Nc3ccc(Cl)cc3)nc2)[n-]c(=O)c1C ZINC000301330668 854361651 /nfs/dbraw/zinc/36/16/51/854361651.db2.gz BCXIJGQQGJIWHS-UHFFFAOYSA-N -1 1 411.893 4.345 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccc(NC(=O)c4ccco4)cc3)nc2)[n-]c(=O)c1C ZINC000301338131 854363820 /nfs/dbraw/zinc/36/38/20/854363820.db2.gz DUWGKJUICPOKQH-UHFFFAOYSA-N -1 1 415.453 4.318 20 0 HIADMM Cc1ccccc1C1(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCOCC1 ZINC000301346932 854366571 /nfs/dbraw/zinc/36/65/71/854366571.db2.gz HOMULOCNIFZCNN-UHFFFAOYSA-N -1 1 404.514 4.330 20 0 HIADMM Cc1nc(-c2ccc(N3CCC(OCCc4ccccc4)CC3)nc2)[n-]c(=O)c1C ZINC000301386717 854378892 /nfs/dbraw/zinc/37/88/92/854378892.db2.gz XKOPCSQZQXWBOG-UHFFFAOYSA-N -1 1 404.514 4.089 20 0 HIADMM Cc1nc(-c2ccc(NCCc3ccc(F)c(Br)c3)nc2)[n-]c(=O)c1C ZINC000301388790 854379649 /nfs/dbraw/zinc/37/96/49/854379649.db2.gz YVUDJMFMPOYONC-UHFFFAOYSA-N -1 1 417.282 4.417 20 0 HIADMM Cc1nc(-c2ccc(NCCc3nc(-c4cccc(Cl)c4)no3)nc2)[n-]c(=O)c1C ZINC000301405739 854384204 /nfs/dbraw/zinc/38/42/04/854384204.db2.gz UJXDPQFKIJPMRA-UHFFFAOYSA-N -1 1 422.876 4.219 20 0 HIADMM COc1ccc(Br)cc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301424479 854390366 /nfs/dbraw/zinc/39/03/66/854390366.db2.gz SZBZYGDVGBKHMT-UHFFFAOYSA-N -1 1 415.291 4.244 20 0 HIADMM Cc1cc(C[C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)n(-c2ccccc2)n1 ZINC000301777260 854463951 /nfs/dbraw/zinc/46/39/51/854463951.db2.gz LSZCVAPXKMLUQB-HNNXBMFYSA-N -1 1 414.513 4.398 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC(C)C)CC(C)C)cc2)cc1 ZINC000301947261 854502203 /nfs/dbraw/zinc/50/22/03/854502203.db2.gz ZCDPPDRKNYWUQO-UHFFFAOYSA-N -1 1 418.559 4.250 20 0 HIADMM Cc1nc(-c2ccc(N[C@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)nc2)[n-]c(=O)c1C ZINC000302513534 854579191 /nfs/dbraw/zinc/57/91/91/854579191.db2.gz UKJMJHVSYRZDMB-IRXDYDNUSA-N -1 1 413.522 4.109 20 0 HIADMM CCN(Cc1ccc2c(c1)OCO2)C(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000302632954 854594409 /nfs/dbraw/zinc/59/44/09/854594409.db2.gz FKVXKZKPKPNLQT-UHFFFAOYSA-N -1 1 424.526 4.084 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000302888079 854667315 /nfs/dbraw/zinc/66/73/15/854667315.db2.gz JBYVHTJPJQGHPN-UHFFFAOYSA-N -1 1 408.502 4.371 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000303012377 854722781 /nfs/dbraw/zinc/72/27/81/854722781.db2.gz NAMMOCLFQUXZGW-FXAWDEMLSA-N -1 1 422.554 4.295 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3(C)CCCCC3)cc2)ccc1F ZINC000303017857 854724988 /nfs/dbraw/zinc/72/49/88/854724988.db2.gz QGNRIXFDTSSBJF-UHFFFAOYSA-N -1 1 404.507 4.388 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000437342827 862618492 /nfs/dbraw/zinc/61/84/92/862618492.db2.gz PCGUEGMQLWVXHC-UHFFFAOYSA-N -1 1 424.526 4.328 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)CCCN3C)c1 ZINC000303423935 854925997 /nfs/dbraw/zinc/92/59/97/854925997.db2.gz YQVUUMRNHQEEPI-UHFFFAOYSA-N -1 1 407.543 4.327 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)cc2)cc1 ZINC000303557297 855038778 /nfs/dbraw/zinc/03/87/78/855038778.db2.gz JVRPHAIMQHLLOU-VWKPWSFCSA-N -1 1 416.543 4.051 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000303596852 855068346 /nfs/dbraw/zinc/06/83/46/855068346.db2.gz UGZMAYJCMXZTJP-JOCHJYFZSA-N -1 1 412.559 4.355 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccn3)cc2)c1 ZINC000303607660 855074424 /nfs/dbraw/zinc/07/44/24/855074424.db2.gz YJAJCLYDBPVYPL-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CS[C@@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000303732718 855158525 /nfs/dbraw/zinc/15/85/25/855158525.db2.gz ZTYKVEBUVQPDMM-QZTJIDSGSA-N -1 1 422.547 4.031 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1ccc(F)cc1Cl ZINC000312444715 855372280 /nfs/dbraw/zinc/37/22/80/855372280.db2.gz XMSPXIUUUPULOE-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl ZINC000323957712 855397527 /nfs/dbraw/zinc/39/75/27/855397527.db2.gz QTVGVAYBHUHVAB-UHFFFAOYSA-N -1 1 405.646 4.017 20 0 HIADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000324323969 855398136 /nfs/dbraw/zinc/39/81/36/855398136.db2.gz IRCSKOPCDRYVEE-LBPRGKRZSA-N -1 1 414.321 4.436 20 0 HIADMM CCc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000325996575 855406438 /nfs/dbraw/zinc/40/64/38/855406438.db2.gz DXSRPNIDOSGJHZ-UHFFFAOYSA-N -1 1 412.305 4.127 20 0 HIADMM O=S(=O)([N-]Cc1ccsc1Br)c1cc(Cl)sc1Cl ZINC000388532576 855448153 /nfs/dbraw/zinc/44/81/53/855448153.db2.gz KWMBPGHZMAOUDF-UHFFFAOYSA-N -1 1 407.163 4.357 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)cc2s1 ZINC000389715966 855451514 /nfs/dbraw/zinc/45/15/14/855451514.db2.gz GDFDAGLZKCMOGO-UHFFFAOYSA-N -1 1 401.282 4.307 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc1C ZINC000409865690 855694953 /nfs/dbraw/zinc/69/49/53/855694953.db2.gz GSODDEUNNBHEIQ-UHFFFAOYSA-N -1 1 416.543 4.175 20 0 HIADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)c1 ZINC000409873490 855699269 /nfs/dbraw/zinc/69/92/69/855699269.db2.gz ZAFMRFRUCHBIJO-UHFFFAOYSA-N -1 1 422.934 4.164 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1C ZINC000425985962 856032336 /nfs/dbraw/zinc/03/23/36/856032336.db2.gz UDIAAKTXUJBQII-UHFFFAOYSA-N -1 1 405.516 4.272 20 0 HIADMM COc1cc(Cl)c(NC(=O)c2ccc(I)c([O-])c2)cc1C ZINC000426016534 856049670 /nfs/dbraw/zinc/04/96/70/856049670.db2.gz KEIYFKSLGRHWGP-UHFFFAOYSA-N -1 1 417.630 4.220 20 0 HIADMM Cc1[nH]ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000426017565 856049759 /nfs/dbraw/zinc/04/97/59/856049759.db2.gz MMYHWJWAFGKFOR-UHFFFAOYSA-N -1 1 403.891 4.338 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2F)cc(Cl)c1[O-] ZINC000426540517 856339204 /nfs/dbraw/zinc/33/92/04/856339204.db2.gz PXZGLADCCBVPKJ-QMMMGPOBSA-N -1 1 402.647 4.447 20 0 HIADMM Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H](CC(=O)[O-])c1ccsc1 ZINC000426693050 856416597 /nfs/dbraw/zinc/41/65/97/856416597.db2.gz XNRVMMLTOSPKLT-QGZVFWFLSA-N -1 1 420.332 4.310 20 0 HIADMM Cc1ccc(-c2ccc(CN[C@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])o2)cc1 ZINC000426724153 856435924 /nfs/dbraw/zinc/43/59/24/856435924.db2.gz PWXXLFNNZUBMMO-HXUWFJFHSA-N -1 1 407.466 4.202 20 0 HIADMM O=C([O-])C[C@H](NCc1ccc(Br)s1)c1cnn(-c2ccccc2)c1 ZINC000426731392 856440599 /nfs/dbraw/zinc/44/05/99/856440599.db2.gz OWUSTKIFILFXTB-HNNXBMFYSA-N -1 1 406.305 4.002 20 0 HIADMM COc1ccc(Br)cc1[C@@H](NCc1cc2c(cc(C)cc2C)[nH]1)C(=O)[O-] ZINC000426741968 856447268 /nfs/dbraw/zinc/44/72/68/856447268.db2.gz NUKMLEPYXICWHS-LJQANCHMSA-N -1 1 417.303 4.471 20 0 HIADMM O=C([O-])C[C@@H](NCc1cncc(Br)c1)c1cc(Cl)cc(Cl)c1 ZINC000426758834 856461316 /nfs/dbraw/zinc/46/13/16/856461316.db2.gz JPDVENRFAFFCIL-CQSZACIVSA-N -1 1 404.091 4.457 20 0 HIADMM COc1ccc([C@H](CC(=O)[O-])NCc2cc(Cl)cc(Cl)c2OC)cc1OC ZINC000426797819 856484371 /nfs/dbraw/zinc/48/43/71/856484371.db2.gz GQXCAULSWYVZOD-HNNXBMFYSA-N -1 1 414.285 4.325 20 0 HIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)cc3)s2)c1OC ZINC000426803832 856488035 /nfs/dbraw/zinc/48/80/35/856488035.db2.gz POQKTVFYLTWYFN-GOSISDBHSA-N -1 1 412.511 4.441 20 0 HIADMM Cn1c(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)nc2ccc(Cl)cc21 ZINC000426805713 856489284 /nfs/dbraw/zinc/48/92/84/856489284.db2.gz DZXOFNPVWIRLAO-HNNXBMFYSA-N -1 1 422.710 4.295 20 0 HIADMM COc1ccc([C@@H](NCc2cc(Br)ccc2Cl)C(=O)[O-])cc1F ZINC000426822351 856498749 /nfs/dbraw/zinc/49/87/49/856498749.db2.gz BMECGEHLNKJUOB-OAHLLOKOSA-N -1 1 402.647 4.166 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000427103833 856639141 /nfs/dbraw/zinc/63/91/41/856639141.db2.gz LDGRDYPESPUQOU-HXUWFJFHSA-N -1 1 408.546 4.034 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000427134205 856660125 /nfs/dbraw/zinc/66/01/25/856660125.db2.gz WZPGTOKRRWJRDB-HDICACEKSA-N -1 1 416.518 4.197 20 0 HIADMM C/C(=C/c1ccccc1)CN(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000427539534 856855505 /nfs/dbraw/zinc/85/55/05/856855505.db2.gz IGELGLJSRINDSN-VKAVYKQESA-N -1 1 402.498 4.047 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3N3C[C@@H](C)O[C@H](C)C3)cc2s1 ZINC000427755076 856940133 /nfs/dbraw/zinc/94/01/33/856940133.db2.gz HMINVYNBWDZDHU-ZIAGYGMSSA-N -1 1 417.556 4.019 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1nc(C2CC2)no1 ZINC000427855577 856983931 /nfs/dbraw/zinc/98/39/31/856983931.db2.gz LFDGCBWIFQPORG-AWEZNQCLSA-N -1 1 404.319 4.071 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCS[C@@H](C)CC3)cc2)cc1C ZINC000427912068 857003414 /nfs/dbraw/zinc/00/34/14/857003414.db2.gz KRIKMWKCFOZGQM-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000428043618 857052787 /nfs/dbraw/zinc/05/27/87/857052787.db2.gz QKMOQDGMFQTQLQ-UHFFFAOYSA-N -1 1 409.914 4.247 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000428088203 857068603 /nfs/dbraw/zinc/06/86/03/857068603.db2.gz CCSXBVVGCHFZJS-UHFFFAOYSA-N -1 1 402.447 4.490 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000428358433 857171385 /nfs/dbraw/zinc/17/13/85/857171385.db2.gz CYBCFJGFUDQSIJ-LLVKDONJSA-N -1 1 407.301 4.169 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CC[C@@H]2CCC[C@H]21 ZINC000428536884 857249219 /nfs/dbraw/zinc/24/92/19/857249219.db2.gz KEWHXMZKJOFLAN-IFXJQAMLSA-N -1 1 404.919 4.155 20 0 HIADMM CCc1cc(=O)[n-]c(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000428704170 857303599 /nfs/dbraw/zinc/30/35/99/857303599.db2.gz ZSAUKFPLWZADEM-UHFFFAOYSA-N -1 1 403.891 4.067 20 0 HIADMM C[C@@H]1CC[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000430454393 858173915 /nfs/dbraw/zinc/17/39/15/858173915.db2.gz KGLOHQFJJSYMNV-CJNGLKHVSA-N -1 1 408.470 4.026 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)c2)cc1 ZINC000430465275 858179325 /nfs/dbraw/zinc/17/93/25/858179325.db2.gz GETDGPVBHKCLOU-QFBILLFUSA-N -1 1 416.543 4.147 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)c2)c1 ZINC000430469672 858182240 /nfs/dbraw/zinc/18/22/40/858182240.db2.gz DUCUHBWDZCHCED-QRWLVFNGSA-N -1 1 400.544 4.365 20 0 HIADMM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1 ZINC000431272587 858542219 /nfs/dbraw/zinc/54/22/19/858542219.db2.gz XVJRQQBCXXWZKU-TZMCWYRMSA-N -1 1 421.868 4.192 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000431430212 858610992 /nfs/dbraw/zinc/61/09/92/858610992.db2.gz DKEDPOMEOABZSC-UHFFFAOYSA-N -1 1 415.453 4.143 20 0 HIADMM C[C@@H](C(=O)Nc1cc([O-])c(Br)cc1Br)N1CCCCCC1 ZINC000431441498 858616638 /nfs/dbraw/zinc/61/66/38/858616638.db2.gz BDEQZHQQMJFMHQ-JTQLQIEISA-N -1 1 420.145 4.120 20 0 HIADMM O=C(CCc1ccccc1O)Nc1cc([O-])c(Br)cc1Br ZINC000431442970 858617905 /nfs/dbraw/zinc/61/79/05/858617905.db2.gz DCJWVFDAGCDLAG-UHFFFAOYSA-N -1 1 415.081 4.194 20 0 HIADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431642616 858706654 /nfs/dbraw/zinc/70/66/54/858706654.db2.gz GCPCGKVKWJOANT-SJCJKPOMSA-N -1 1 419.877 4.038 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cc1F ZINC000432064205 858962422 /nfs/dbraw/zinc/96/24/22/858962422.db2.gz DHWSOMHYVZWQGC-UHFFFAOYSA-N -1 1 408.676 4.359 20 0 HIADMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3F)cc21 ZINC000432074890 858970295 /nfs/dbraw/zinc/97/02/95/858970295.db2.gz CZDIRROASLJIEH-UHFFFAOYSA-N -1 1 407.772 4.428 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)n1 ZINC000432183173 859035395 /nfs/dbraw/zinc/03/53/95/859035395.db2.gz VVXZMIUCRWPUQT-UHFFFAOYSA-N -1 1 411.405 4.427 20 0 HIADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000432617428 859256722 /nfs/dbraw/zinc/25/67/22/859256722.db2.gz ODKOYGDMWKATNV-AWEZNQCLSA-N -1 1 420.481 4.170 20 0 HIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1csc(-c2cnccn2)n1 ZINC000432620339 859258070 /nfs/dbraw/zinc/25/80/70/859258070.db2.gz UEPQVIMEHIGEBD-CQSZACIVSA-N -1 1 420.523 4.172 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC4(CCC4)C[C@@H]3C)c2)cc1F ZINC000432621346 859258785 /nfs/dbraw/zinc/25/87/85/859258785.db2.gz KJWZYBNFJHHBQZ-INIZCTEOSA-N -1 1 416.518 4.340 20 0 HIADMM Cc1ccc(C(=O)N2CC3(CCC3)C[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000432622306 859259496 /nfs/dbraw/zinc/25/94/96/859259496.db2.gz YJIIJVQQKNCOPR-MRXNPFEDSA-N -1 1 416.518 4.340 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1Cl ZINC000432761988 859341655 /nfs/dbraw/zinc/34/16/55/859341655.db2.gz YQUYAFBSKXLCIW-INIZCTEOSA-N -1 1 421.906 4.186 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)nc2)cc1C(C)C ZINC000432773750 859354328 /nfs/dbraw/zinc/35/43/28/859354328.db2.gz JPZLGWWBXYXWRV-UHFFFAOYSA-N -1 1 414.531 4.125 20 0 HIADMM COC(=O)c1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc(Br)c1F ZINC000433106100 859523978 /nfs/dbraw/zinc/52/39/78/859523978.db2.gz SSKGQNTXJAIPBH-UHFFFAOYSA-N -1 1 417.618 4.378 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)c3ccoc3C)c2)c1 ZINC000433507098 859741917 /nfs/dbraw/zinc/74/19/17/859741917.db2.gz QLVACLUUQZISPO-UHFFFAOYSA-N -1 1 402.447 4.343 20 0 HIADMM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1cc(Br)sc1Cl ZINC000433647016 859823207 /nfs/dbraw/zinc/82/32/07/859823207.db2.gz VJPJVBQHDFJREB-UHFFFAOYSA-N -1 1 419.753 4.166 20 0 HIADMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000433651063 859825072 /nfs/dbraw/zinc/82/50/72/859825072.db2.gz TWKNZKXFWBEBMN-JGVFFNPUSA-N -1 1 404.804 4.117 20 0 HIADMM CSC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)CCC1 ZINC000433687395 859837943 /nfs/dbraw/zinc/83/79/43/859837943.db2.gz DPEDLPFKMNXPOA-UHFFFAOYSA-N -1 1 418.584 4.120 20 0 HIADMM Cc1cc(F)ccc1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000433719965 859853182 /nfs/dbraw/zinc/85/31/82/859853182.db2.gz AVMPYTZVAGAASX-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000433810318 859905830 /nfs/dbraw/zinc/90/58/30/859905830.db2.gz ZNOQZAGAEZVNIS-UHFFFAOYSA-N -1 1 414.506 4.174 20 0 HIADMM O=C(NC1CCC2(CC2)CC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000434303502 860266338 /nfs/dbraw/zinc/26/63/38/860266338.db2.gz ZDPJKJJRJKDVIW-UHFFFAOYSA-N -1 1 402.491 4.079 20 0 HIADMM CCSCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000434318736 860279364 /nfs/dbraw/zinc/27/93/64/860279364.db2.gz YTHDQIBUYGVTCQ-INIZCTEOSA-N -1 1 406.573 4.091 20 0 HIADMM CC(C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1cccnc1 ZINC000434344480 860302397 /nfs/dbraw/zinc/30/23/97/860302397.db2.gz LXPGRQCYUDKENV-JOCHJYFZSA-N -1 1 423.538 4.052 20 0 HIADMM CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccnc1 ZINC000434344786 860303703 /nfs/dbraw/zinc/30/37/03/860303703.db2.gz PWWQCLQONXCOGM-QFIPXVFZSA-N -1 1 423.538 4.052 20 0 HIADMM Cc1nc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)s1 ZINC000434366728 860315497 /nfs/dbraw/zinc/31/54/97/860315497.db2.gz JYDXPVPSWMFFBX-UHFFFAOYSA-N -1 1 415.540 4.430 20 0 HIADMM Cc1nc(C)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)s1 ZINC000434370402 860317532 /nfs/dbraw/zinc/31/75/32/860317532.db2.gz DYXOBQDDDIDHRY-UHFFFAOYSA-N -1 1 419.503 4.261 20 0 HIADMM CCC[C@@H](NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000434778912 860492697 /nfs/dbraw/zinc/49/26/97/860492697.db2.gz SMUBSZLIDFGJFC-MJGOQNOKSA-N -1 1 415.950 4.333 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3C)cc2C[C@@H]1C ZINC000467749727 881554554 /nfs/dbraw/zinc/55/45/54/881554554.db2.gz QQGJEBVOSIYCKA-LBPRGKRZSA-N -1 1 412.433 4.112 20 0 HIADMM O=C([N-]c1c(F)cc(F)cc1F)c1cc(I)c(F)cc1F ZINC000435349014 860752289 /nfs/dbraw/zinc/75/22/89/860752289.db2.gz GGOOCUWEIYQOBJ-UHFFFAOYSA-N -1 1 413.083 4.239 20 0 HIADMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000435443390 860800721 /nfs/dbraw/zinc/80/07/21/860800721.db2.gz QGNFHCREXMCTSF-CQSZACIVSA-N -1 1 414.232 4.077 20 0 HIADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435720934 861004685 /nfs/dbraw/zinc/00/46/85/861004685.db2.gz GFLOVHGQGWUSGJ-UHFFFAOYSA-N -1 1 412.653 4.373 20 0 HIADMM CC[C@@H](SC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438065625 863442407 /nfs/dbraw/zinc/44/24/07/863442407.db2.gz NHYGTKXWFGDECJ-MRXNPFEDSA-N -1 1 416.927 4.360 20 0 HIADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000438589067 864019266 /nfs/dbraw/zinc/01/92/66/864019266.db2.gz GRCHORJQEJQCMO-QGZVFWFLSA-N -1 1 414.449 4.194 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1 ZINC000438754098 864246141 /nfs/dbraw/zinc/24/61/41/864246141.db2.gz BTCMGRHCWAZAJY-UHFFFAOYSA-N -1 1 410.495 4.300 20 0 HIADMM O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccc(F)c(Br)c1 ZINC000438755257 864246918 /nfs/dbraw/zinc/24/69/18/864246918.db2.gz MMZLJXIBROXMIN-UHFFFAOYSA-N -1 1 412.202 4.494 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1 ZINC000438769556 864264358 /nfs/dbraw/zinc/26/43/58/864264358.db2.gz FWYATRIAYSGZMQ-UHFFFAOYSA-N -1 1 416.524 4.362 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000438776811 864271670 /nfs/dbraw/zinc/27/16/70/864271670.db2.gz JEPHVULJAIDCFJ-HHHXNRCGSA-N -1 1 417.527 4.384 20 0 HIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)c(F)c3)cc2)o1 ZINC000438803432 864294063 /nfs/dbraw/zinc/29/40/63/864294063.db2.gz SVSLYBBETCMJLS-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)ccc1F ZINC000438806328 864297388 /nfs/dbraw/zinc/29/73/88/864297388.db2.gz AHHHJHVUTVRAMI-UHFFFAOYSA-N -1 1 421.519 4.492 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3cc(C)c(C)cc3o2)c1 ZINC000438897232 864378750 /nfs/dbraw/zinc/37/87/50/864378750.db2.gz UKCHXIDYUGADMT-UHFFFAOYSA-N -1 1 416.499 4.038 20 0 HIADMM Cc1ccc(NC(=O)CC[C@H]2CC[C@@H](C)O2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000439010524 864461930 /nfs/dbraw/zinc/46/19/30/864461930.db2.gz ZYYJNTBESBXNRH-SJLPKXTDSA-N -1 1 402.516 4.082 20 0 HIADMM CCN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000439013543 864464996 /nfs/dbraw/zinc/46/49/96/864464996.db2.gz XFLRCJNJNHUXBG-UHFFFAOYSA-N -1 1 423.538 4.162 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)C3(C)CC3)cc2)c1C ZINC000439025524 864481451 /nfs/dbraw/zinc/48/14/51/864481451.db2.gz SCILGCJVQKDTHE-QGZVFWFLSA-N -1 1 400.544 4.365 20 0 HIADMM CS(=O)(=O)[N-]c1ccc(Oc2nc(C3CC3)nc3sc4c(c32)CCCC4)cn1 ZINC000439131030 864565316 /nfs/dbraw/zinc/56/53/16/864565316.db2.gz UPFCEDHJMRSQJN-UHFFFAOYSA-N -1 1 416.528 4.006 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)[C@H](C)C2(C)CC2)c1 ZINC000439230630 864647805 /nfs/dbraw/zinc/64/78/05/864647805.db2.gz BZVZELKGSUAUQF-OAHLLOKOSA-N -1 1 404.507 4.196 20 0 HIADMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000467941288 881811705 /nfs/dbraw/zinc/81/17/05/881811705.db2.gz BVRBXMNOPTYBIP-CQSZACIVSA-N -1 1 415.902 4.278 20 0 HIADMM O=C(Nc1ccccn1)c1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000439563685 864888721 /nfs/dbraw/zinc/88/87/21/864888721.db2.gz BYDCIQIETMPOJQ-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc([C@H]3CCC(F)(F)C3)no2)cc1 ZINC000439566853 864889904 /nfs/dbraw/zinc/88/99/04/864889904.db2.gz DDXQYBKIVKXEHU-AWEZNQCLSA-N -1 1 405.426 4.440 20 0 HIADMM C[C@@H](Sc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000439568725 864892048 /nfs/dbraw/zinc/89/20/48/864892048.db2.gz JFLHTWZIPJZVQE-OAHLLOKOSA-N -1 1 412.536 4.440 20 0 HIADMM COCCc1nc2cc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc2o1 ZINC000439871962 865181909 /nfs/dbraw/zinc/18/19/09/865181909.db2.gz ATFDUDROUQPAQZ-UHFFFAOYSA-N -1 1 402.516 4.360 20 0 HIADMM O=C(Nc1ccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000439973349 865266494 /nfs/dbraw/zinc/26/64/94/865266494.db2.gz SIIJRFDUJYNKBY-YCRPNKLZSA-N -1 1 422.431 4.284 20 0 HIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1CN(CC(F)(F)F)C2 ZINC000440079630 865344817 /nfs/dbraw/zinc/34/48/17/865344817.db2.gz OSMYSEFIAFFNJU-UHFFFAOYSA-N -1 1 404.841 4.327 20 0 HIADMM Cc1ccc(Sc2nsc([N-]C(=O)c3cn(-c4ccc(C)cc4)nn3)n2)cc1 ZINC000440320044 865588811 /nfs/dbraw/zinc/58/88/11/865588811.db2.gz KDXUYQLNWJGTLN-UHFFFAOYSA-N -1 1 408.512 4.139 20 0 HIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)c1nc(C(F)(F)F)cs1 ZINC000440375074 865666854 /nfs/dbraw/zinc/66/68/54/865666854.db2.gz CGSPNPAREYJRSG-SNVBAGLBSA-N -1 1 400.394 4.178 20 0 HIADMM CCc1nc(C2([N-]S(=O)(=O)c3c(Cl)ccc4ccccc43)CCCC2)no1 ZINC000440379013 865668691 /nfs/dbraw/zinc/66/86/91/865668691.db2.gz BQCHNZJGMJTMFG-UHFFFAOYSA-N -1 1 405.907 4.186 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)CC[C@H]3C)ccc2C)cc1 ZINC000440404351 865697328 /nfs/dbraw/zinc/69/73/28/865697328.db2.gz FWCRSPZPIIXUFN-SJLPKXTDSA-N -1 1 400.544 4.365 20 0 HIADMM CCOC(=O)c1sc([N-]C(=O)c2cc(C3CC3)no2)c(C(=O)OC(C)(C)C)c1C ZINC000440446890 865748017 /nfs/dbraw/zinc/74/80/17/865748017.db2.gz VDIPUDGNPQGAIK-UHFFFAOYSA-N -1 1 420.487 4.306 20 0 HIADMM O=C(NCCCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000440531318 865806119 /nfs/dbraw/zinc/80/61/19/865806119.db2.gz BOIYKJYLJSFNKT-UHFFFAOYSA-N -1 1 420.840 4.213 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1Cl ZINC000440806763 865926812 /nfs/dbraw/zinc/92/68/12/865926812.db2.gz MLKNTZDRLGZNHP-UHFFFAOYSA-N -1 1 421.824 4.422 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3Nc3ccccc3)ccc21 ZINC000440821698 865936607 /nfs/dbraw/zinc/93/66/07/865936607.db2.gz BIXZJPYDCLWUQF-UHFFFAOYSA-N -1 1 407.495 4.140 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)cc1Cl ZINC000440830950 865944551 /nfs/dbraw/zinc/94/45/51/865944551.db2.gz YZNKUUHDDXQKEY-UHFFFAOYSA-N -1 1 420.874 4.199 20 0 HIADMM C[C@H](Sc1ccccn1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000442083658 867113304 /nfs/dbraw/zinc/11/33/04/867113304.db2.gz FLUPYZRCCAPERE-HNNXBMFYSA-N -1 1 413.524 4.002 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C4CC4)no3)ccc2C)c1 ZINC000442414732 867388580 /nfs/dbraw/zinc/38/85/80/867388580.db2.gz UMNFOKLDPCKNSY-UHFFFAOYSA-N -1 1 411.483 4.222 20 0 HIADMM CCOCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000442419930 867390693 /nfs/dbraw/zinc/39/06/93/867390693.db2.gz OUBGZUFYHIXEBM-UHFFFAOYSA-N -1 1 422.934 4.204 20 0 HIADMM C[C@H]1COCC[C@@H]1c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000442695831 867630741 /nfs/dbraw/zinc/63/07/41/867630741.db2.gz RCORAJRLANOBIX-ZBEGNZNMSA-N -1 1 415.396 4.113 20 0 HIADMM COc1cccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c1OC1CCCC1 ZINC000442973663 867770947 /nfs/dbraw/zinc/77/09/47/867770947.db2.gz FZZDEJRLWKTCKZ-UHFFFAOYSA-N -1 1 405.878 4.314 20 0 HIADMM COCc1nc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c(-c2ccccc2)s1 ZINC000442977218 867774123 /nfs/dbraw/zinc/77/41/23/867774123.db2.gz ZCSACBJSYFFVSE-UHFFFAOYSA-N -1 1 418.902 4.254 20 0 HIADMM COc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc(Cl)c1[O-] ZINC000442994007 867782574 /nfs/dbraw/zinc/78/25/74/867782574.db2.gz ZROGCFPDZYMEEO-NSHDSACASA-N -1 1 412.269 4.375 20 0 HIADMM CCCc1c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cnn1-c1cc(C)ccn1 ZINC000443121758 867830029 /nfs/dbraw/zinc/83/00/29/867830029.db2.gz DVWLRIDQBMKPBK-UHFFFAOYSA-N -1 1 400.866 4.148 20 0 HIADMM CCOc1cc(-c2nc([C@H](C)CNC(=O)c3ccccc3)no2)cc(Cl)c1[O-] ZINC000443205471 867875044 /nfs/dbraw/zinc/87/50/44/867875044.db2.gz SPAPIHBJHBTLHM-GFCCVEGCSA-N -1 1 401.850 4.028 20 0 HIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)on1 ZINC000443252554 867885918 /nfs/dbraw/zinc/88/59/18/867885918.db2.gz RQJVEERTFLUXLH-UHFFFAOYSA-N -1 1 422.528 4.058 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc(Cl)c1[O-] ZINC000443348662 867917787 /nfs/dbraw/zinc/91/77/87/867917787.db2.gz VHOYLOTXRZZTQX-UHFFFAOYSA-N -1 1 402.878 4.369 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1 ZINC000443398176 867956947 /nfs/dbraw/zinc/95/69/47/867956947.db2.gz HWMTVQPKSIJPOG-UHFFFAOYSA-N -1 1 415.540 4.059 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OC(C)(C)O4)c2)n1 ZINC000443403335 867967748 /nfs/dbraw/zinc/96/77/48/867967748.db2.gz OOIOCQCIUHPHHD-UHFFFAOYSA-N -1 1 402.497 4.427 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(Cn4cccn4)cc3)c2)n1 ZINC000443408476 867989214 /nfs/dbraw/zinc/98/92/14/867989214.db2.gz SZTTXBICKWNZPH-UHFFFAOYSA-N -1 1 410.524 4.164 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)c1 ZINC000443407904 867990266 /nfs/dbraw/zinc/99/02/66/867990266.db2.gz JDCKQWYGNYQNOY-UHFFFAOYSA-N -1 1 407.557 4.298 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCCCC3)c2)c1 ZINC000443409809 867993106 /nfs/dbraw/zinc/99/31/06/867993106.db2.gz LUQXIRRUPMHRDC-HHHXNRCGSA-N -1 1 421.584 4.468 20 0 HIADMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000443412308 867994752 /nfs/dbraw/zinc/99/47/52/867994752.db2.gz VXWZCGZCMNOONC-UHFFFAOYSA-N -1 1 416.524 4.025 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(N4CCCC4=O)cc3)c2)n1 ZINC000443414796 868000399 /nfs/dbraw/zinc/00/03/99/868000399.db2.gz PJLROSLQWHNDFI-UHFFFAOYSA-N -1 1 413.524 4.046 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cncnc2)cc1)c1ccc(Br)c(Cl)c1 ZINC000443461799 868052581 /nfs/dbraw/zinc/05/25/81/868052581.db2.gz FDBAEQGPZUMISY-UHFFFAOYSA-N -1 1 424.707 4.360 20 0 HIADMM C[C@H](Nc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1)c1ccccc1 ZINC000443533843 868092257 /nfs/dbraw/zinc/09/22/57/868092257.db2.gz XHRSGPSXUDJTNB-ZDUSSCGKSA-N -1 1 402.497 4.420 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2CCOC[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000443918070 868453517 /nfs/dbraw/zinc/45/35/17/868453517.db2.gz FDQGPLYWNZXMON-RDTXWAMCSA-N -1 1 422.934 4.060 20 0 HIADMM CCC(C)(C)c1ccc(CNC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000443933428 868471694 /nfs/dbraw/zinc/47/16/94/868471694.db2.gz GLICERQOVHYSCT-UHFFFAOYSA-N -1 1 419.547 4.076 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(-n2ncc3ccccc32)cc1Cl ZINC000444019011 868544374 /nfs/dbraw/zinc/54/43/74/868544374.db2.gz GWLQWDDMJZKEOD-UHFFFAOYSA-N -1 1 406.755 4.068 20 0 HIADMM Cc1ncc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)s1 ZINC000444218762 868671967 /nfs/dbraw/zinc/67/19/67/868671967.db2.gz VRPRFGJAORHKMZ-LLVKDONJSA-N -1 1 418.384 4.442 20 0 HIADMM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)s1 ZINC000444355396 868781705 /nfs/dbraw/zinc/78/17/05/868781705.db2.gz ZBZMASGKZUNRMZ-UHFFFAOYSA-N -1 1 414.527 4.426 20 0 HIADMM CC(C)n1ncc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1C1CC1 ZINC000444387384 868803890 /nfs/dbraw/zinc/80/38/90/868803890.db2.gz WRORRQYDKIXKST-UHFFFAOYSA-N -1 1 410.518 4.362 20 0 HIADMM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000444401826 868812498 /nfs/dbraw/zinc/81/24/98/868812498.db2.gz ANHVYZHKAUURKG-DIFFPNOSSA-N -1 1 410.695 4.410 20 0 HIADMM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000444415371 868818519 /nfs/dbraw/zinc/81/85/19/868818519.db2.gz XPHVMELGBPJVIY-DIFFPNOSSA-N -1 1 410.695 4.410 20 0 HIADMM CC(F)(F)c1cccc(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000444445527 868830871 /nfs/dbraw/zinc/83/08/71/868830871.db2.gz REEQJNLGBSBDOW-UHFFFAOYSA-N -1 1 403.166 4.361 20 0 HIADMM O=C(Nc1nc(C2CCC2)cs1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000444530829 868870409 /nfs/dbraw/zinc/87/04/09/868870409.db2.gz DZCVLMOKXUABCP-UHFFFAOYSA-N -1 1 413.524 4.464 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CCC(c4nc5cccc(C)c5o4)CC3)cnc2n1 ZINC000444914780 869101334 /nfs/dbraw/zinc/10/13/34/869101334.db2.gz VCSRCPDBSYIHMS-UHFFFAOYSA-N -1 1 402.454 4.113 20 0 HIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(c3nc4cccc(C)c4o3)CC1)c2=O ZINC000444914780 869101337 /nfs/dbraw/zinc/10/13/37/869101337.db2.gz VCSRCPDBSYIHMS-UHFFFAOYSA-N -1 1 402.454 4.113 20 0 HIADMM COc1cc(NC(=O)c2sc3ccc(C)cc3c2C)ccc1[N-]S(C)(=O)=O ZINC000445259374 869311355 /nfs/dbraw/zinc/31/13/55/869311355.db2.gz IEKWIQLHAGOOJC-UHFFFAOYSA-N -1 1 404.513 4.151 20 0 HIADMM CCOc1cc(-c2nc(CC(=O)Nc3ccc(CC)cc3)no2)cc(Cl)c1[O-] ZINC000445318428 869375433 /nfs/dbraw/zinc/37/54/33/869375433.db2.gz OODJCILOOUYSTN-UHFFFAOYSA-N -1 1 401.850 4.238 20 0 HIADMM CCOc1ccc(NC(=O)Cc2noc(-c3cc(Cl)c([O-])c(OCC)c3)n2)cc1 ZINC000445336822 869399730 /nfs/dbraw/zinc/39/97/30/869399730.db2.gz JGZJRNNSMRMVRL-UHFFFAOYSA-N -1 1 417.849 4.074 20 0 HIADMM CCOc1ccccc1NC(=O)Cc1noc(-c2cc(Cl)c([O-])c(OCC)c2)n1 ZINC000445353713 869419823 /nfs/dbraw/zinc/41/98/23/869419823.db2.gz ZZIZOZORJXMLKP-UHFFFAOYSA-N -1 1 417.849 4.074 20 0 HIADMM COc1cc(-c2noc(COc3c(C)cccc3C)n2)cc(Br)c1[O-] ZINC000445390697 869477434 /nfs/dbraw/zinc/47/74/34/869477434.db2.gz IGPUXXUDCAOMQH-UHFFFAOYSA-N -1 1 405.248 4.409 20 0 HIADMM COc1cc(-c2noc([C@H]3CCCN3c3nccs3)n2)cc(Br)c1[O-] ZINC000445391968 869477476 /nfs/dbraw/zinc/47/74/76/869477476.db2.gz MHAHVRWXLZGCSE-LLVKDONJSA-N -1 1 423.292 4.011 20 0 HIADMM COc1cc(-c2noc(CCC(=O)c3ccc(F)cc3)n2)cc(Br)c1[O-] ZINC000445396699 869483108 /nfs/dbraw/zinc/48/31/08/869483108.db2.gz YKYGJWXDOYLOEI-UHFFFAOYSA-N -1 1 421.222 4.168 20 0 HIADMM COc1cc(-c2noc(C[C@@H](C)c3c(C)noc3C)n2)cc(Br)c1[O-] ZINC000445398262 869484161 /nfs/dbraw/zinc/48/41/61/869484161.db2.gz RTBDDOJFBZYERO-MRVPVSSYSA-N -1 1 408.252 4.164 20 0 HIADMM CCOc1cc(-c2noc(C[C@@H](C)NC(=O)C3CCCCC3)n2)cc(Cl)c1[O-] ZINC000445408995 869491840 /nfs/dbraw/zinc/49/18/40/869491840.db2.gz AXADDQIFRRBLGF-GFCCVEGCSA-N -1 1 407.898 4.122 20 0 HIADMM CCOc1cc(-c2noc(-c3cnn(-c4nc(CC)cs4)c3)n2)cc(Cl)c1[O-] ZINC000445420608 869503907 /nfs/dbraw/zinc/50/39/07/869503907.db2.gz CFJIZOOWGYGTGQ-UHFFFAOYSA-N -1 1 417.878 4.366 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CC(=O)N(C4CCC(C)CC4)C3)n2)cc(Cl)c1[O-] ZINC000445422317 869505963 /nfs/dbraw/zinc/50/59/63/869505963.db2.gz MHYUEOMQEVVFDU-BLZCZZARSA-N -1 1 419.909 4.389 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3CC(=O)N(C4CCC(C)CC4)C3)n2)cc(Cl)c1[O-] ZINC000445422318 869506603 /nfs/dbraw/zinc/50/66/03/869506603.db2.gz MHYUEOMQEVVFDU-HNFVBEJKSA-N -1 1 419.909 4.389 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc(N4CCCNC4=O)c3)n2)cc(Cl)c1[O-] ZINC000445427651 869512043 /nfs/dbraw/zinc/51/20/43/869512043.db2.gz PYXAHAHOQMJKQS-UHFFFAOYSA-N -1 1 414.849 4.081 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(F)c(COCCOC)c3)n2)cc(Cl)c1[O-] ZINC000445429039 869513431 /nfs/dbraw/zinc/51/34/31/869513431.db2.gz BBDCNTDTADVCSO-UHFFFAOYSA-N -1 1 422.840 4.463 20 0 HIADMM Cc1nnc(SCc2nc(-c3ccc([O-])cc3Cl)no2)n1Cc1ccccc1 ZINC000445443165 869524711 /nfs/dbraw/zinc/52/47/11/869524711.db2.gz BGWGJFIACDEXEJ-UHFFFAOYSA-N -1 1 413.890 4.336 20 0 HIADMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)nnn1-c1cccc2cnccc21 ZINC000445447596 869529024 /nfs/dbraw/zinc/52/90/24/869529024.db2.gz IKJPPDHXKQFWQF-UHFFFAOYSA-N -1 1 404.817 4.200 20 0 HIADMM COc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)ccc1OCc1cnn(C)c1 ZINC000445451235 869529766 /nfs/dbraw/zinc/52/97/66/869529766.db2.gz CGHGNSURQCXHOO-UHFFFAOYSA-N -1 1 412.833 4.084 20 0 HIADMM O=C1[C@H](c2nc(-c3ccc([O-])cc3F)no2)CCN1c1cc(Cl)ccc1Cl ZINC000445454389 869532038 /nfs/dbraw/zinc/53/20/38/869532038.db2.gz FSBHHGNXOHROSR-LBPRGKRZSA-N -1 1 408.216 4.409 20 0 HIADMM CCn1c(SCc2nc(-c3ccc([O-])c(F)c3)no2)nnc1-c1ccccc1C ZINC000445478266 869550004 /nfs/dbraw/zinc/55/00/04/869550004.db2.gz DEMPFGPNXLMCDJ-UHFFFAOYSA-N -1 1 411.462 4.460 20 0 HIADMM [O-]c1ccc(-c2noc(C3(c4ccc(Br)cc4)CCOCC3)n2)cc1F ZINC000445478997 869551799 /nfs/dbraw/zinc/55/17/99/869551799.db2.gz AEGRNNUHIYMUBW-UHFFFAOYSA-N -1 1 419.250 4.440 20 0 HIADMM CCOc1c(Br)cc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1OC ZINC000445481097 869553116 /nfs/dbraw/zinc/55/31/16/869553116.db2.gz OHLYDCWXVJEANB-UHFFFAOYSA-N -1 1 409.211 4.418 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nc(C3CCSCC3)no2)cc1 ZINC000445553979 869610903 /nfs/dbraw/zinc/61/09/03/869610903.db2.gz YVTQHTWHTBZNMA-UHFFFAOYSA-N -1 1 419.503 4.287 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nc(-c3cncs3)no2)cc1 ZINC000445585773 869647208 /nfs/dbraw/zinc/64/72/08/869647208.db2.gz UYSQCFQYGMYXLL-UHFFFAOYSA-N -1 1 418.887 4.314 20 0 HIADMM O=C(C[C@H]1CCCCO1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000445656635 869725560 /nfs/dbraw/zinc/72/55/60/869725560.db2.gz WSORUHCWCKXGKC-QGZVFWFLSA-N -1 1 408.907 4.039 20 0 HIADMM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000445763482 869808123 /nfs/dbraw/zinc/80/81/23/869808123.db2.gz DWSCJLVHSKZTGJ-QGZVFWFLSA-N -1 1 404.532 4.267 20 0 HIADMM O=C(Cc1cccc(F)c1F)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000445830655 869850030 /nfs/dbraw/zinc/85/00/30/869850030.db2.gz YAMHQCSHKBZDJR-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM CC(C)C[C@H](C)OCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000445829874 869850104 /nfs/dbraw/zinc/85/01/04/869850104.db2.gz MPWUMXDAFKJTJS-KRWDZBQOSA-N -1 1 404.532 4.267 20 0 HIADMM COc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cc1F ZINC000446634494 870540420 /nfs/dbraw/zinc/54/04/20/870540420.db2.gz DIBOKZWEIPVQQE-UHFFFAOYSA-N -1 1 401.481 4.001 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)cc1F ZINC000446783422 870700956 /nfs/dbraw/zinc/70/09/56/870700956.db2.gz FTVQIUCXEWXHSW-OAHLLOKOSA-N -1 1 420.506 4.100 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc(Cl)c1[O-] ZINC000446981445 870876867 /nfs/dbraw/zinc/87/68/67/870876867.db2.gz OXKFZCOJSYBDJG-UHFFFAOYSA-N -1 1 407.804 4.375 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1Cl)C(C)C ZINC000447261487 871141011 /nfs/dbraw/zinc/14/10/11/871141011.db2.gz YBOXQAIWVRZPGD-UHFFFAOYSA-N -1 1 422.934 4.042 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)N1CCCCC1 ZINC000447270812 871157682 /nfs/dbraw/zinc/15/76/82/871157682.db2.gz MMRAKAPUZXGNRV-UHFFFAOYSA-N -1 1 406.935 4.384 20 0 HIADMM O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000447712317 871653368 /nfs/dbraw/zinc/65/33/68/871653368.db2.gz FBWCVEISJKKXMK-UHFFFAOYSA-N -1 1 406.251 4.029 20 0 HIADMM O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000447734655 871686249 /nfs/dbraw/zinc/68/62/49/871686249.db2.gz XYCSSMZPJFOASW-UHFFFAOYSA-N -1 1 416.502 4.358 20 0 HIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1)C(C)=O ZINC000447788181 871722310 /nfs/dbraw/zinc/72/23/10/871722310.db2.gz PQGYKKRIWPFVNE-UHFFFAOYSA-N -1 1 418.412 4.014 20 0 HIADMM CCCCn1ncc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000448429803 872376678 /nfs/dbraw/zinc/37/66/78/872376678.db2.gz KRRYMXRLVZXXIW-UHFFFAOYSA-N -1 1 412.515 4.045 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc(Cl)c1[O-] ZINC000460130607 872611196 /nfs/dbraw/zinc/61/11/96/872611196.db2.gz WFBQZQBHFJFTRF-VIFPVBQESA-N -1 1 408.241 4.249 20 0 HIADMM COc1cc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc(Cl)c1[O-] ZINC000460130606 872612688 /nfs/dbraw/zinc/61/26/88/872612688.db2.gz WFBQZQBHFJFTRF-SECBINFHSA-N -1 1 408.241 4.249 20 0 HIADMM COc1cc(C(=O)NC[C@H](C)Oc2ccccc2Br)cc(Cl)c1[O-] ZINC000460133452 872623164 /nfs/dbraw/zinc/62/31/64/872623164.db2.gz XJXDWGPVALZGLR-JTQLQIEISA-N -1 1 414.683 4.014 20 0 HIADMM COc1cc(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc(Cl)c1[O-] ZINC000460192295 872762026 /nfs/dbraw/zinc/76/20/26/872762026.db2.gz KECODSOYYYCOOQ-CYBMUJFWSA-N -1 1 409.313 4.272 20 0 HIADMM CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000460423342 873083452 /nfs/dbraw/zinc/08/34/52/873083452.db2.gz CCXLUKTUAHMJLD-UHFFFAOYSA-N -1 1 423.494 4.065 20 0 HIADMM CCCc1ncc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000460719070 873516645 /nfs/dbraw/zinc/51/66/45/873516645.db2.gz ZFXHVUNTNVNQDC-UHFFFAOYSA-N -1 1 401.513 4.149 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 ZINC000460825533 873710273 /nfs/dbraw/zinc/71/02/73/873710273.db2.gz VEKZNTCHSVOSID-UHFFFAOYSA-N -1 1 412.511 4.480 20 0 HIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)c2cccnc2)c1 ZINC000460832572 873721465 /nfs/dbraw/zinc/72/14/65/873721465.db2.gz NQLSRHVCTIHBDX-UHFFFAOYSA-N -1 1 421.522 4.209 20 0 HIADMM O=c1cc(C(F)(F)F)nc(SCc2nc3ccc(Br)cc3o2)[n-]1 ZINC000460884456 873796775 /nfs/dbraw/zinc/79/67/75/873796775.db2.gz YHYQJHOVGXAGKS-UHFFFAOYSA-N -1 1 406.183 4.397 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)c2)c1 ZINC000460977303 873870951 /nfs/dbraw/zinc/87/09/51/873870951.db2.gz FUFIKBCJZVOGTP-OAQYLSRUSA-N -1 1 412.555 4.365 20 0 HIADMM COC(C)(C)C[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000461202429 874203500 /nfs/dbraw/zinc/20/35/00/874203500.db2.gz PRZUGDYBOIKWKU-QGZVFWFLSA-N -1 1 418.559 4.038 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000461204162 874206505 /nfs/dbraw/zinc/20/65/05/874206505.db2.gz QAKGFPOZBYFKPV-KRWDZBQOSA-N -1 1 418.559 4.038 20 0 HIADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)ccc12 ZINC000461344672 874353995 /nfs/dbraw/zinc/35/39/95/874353995.db2.gz XWSGVVNVCNURLH-UHFFFAOYSA-N -1 1 407.495 4.262 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468714055 882825634 /nfs/dbraw/zinc/82/56/34/882825634.db2.gz JHHOZNGFYNRDBK-SUMWQHHRSA-N -1 1 422.485 4.092 20 0 HIADMM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1 ZINC000461397950 874408734 /nfs/dbraw/zinc/40/87/34/874408734.db2.gz XLRGNKRYKJBDOG-MRXNPFEDSA-N -1 1 412.511 4.140 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)C1CCC1 ZINC000461406113 874419470 /nfs/dbraw/zinc/41/94/70/874419470.db2.gz VIMLYPUVSXAVQK-UHFFFAOYSA-N -1 1 412.433 4.131 20 0 HIADMM CCCC[C@H](C)N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000461430623 874472998 /nfs/dbraw/zinc/47/29/98/874472998.db2.gz UGOCNOFNLMBCFM-INIZCTEOSA-N -1 1 406.523 4.206 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]4CCC[C@H]43)cc2)ccc1F ZINC000461503157 874577688 /nfs/dbraw/zinc/57/76/88/874577688.db2.gz PAKVIOYZUVUKJK-IIBYNOLFSA-N -1 1 416.518 4.340 20 0 HIADMM CCCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000461614505 874760368 /nfs/dbraw/zinc/76/03/68/874760368.db2.gz ATEHKTAACPYALT-INIZCTEOSA-N -1 1 404.532 4.147 20 0 HIADMM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccccn3)no2)nc1-c1ccccc1 ZINC000462121164 875222684 /nfs/dbraw/zinc/22/26/84/875222684.db2.gz WQVKRPQEHSASCO-UHFFFAOYSA-N -1 1 420.450 4.289 20 0 HIADMM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000462357921 875472080 /nfs/dbraw/zinc/47/20/80/875472080.db2.gz KJAJMLOQGQWQKY-UHFFFAOYSA-N -1 1 402.903 4.304 20 0 HIADMM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000462361326 875475200 /nfs/dbraw/zinc/47/52/00/875475200.db2.gz NTLDGPFVXXZXGY-UHFFFAOYSA-N -1 1 400.887 4.121 20 0 HIADMM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000462410647 875519076 /nfs/dbraw/zinc/51/90/76/875519076.db2.gz VHUHQZXILSYMPE-UHFFFAOYSA-N -1 1 412.902 4.242 20 0 HIADMM CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)c1ccccc1 ZINC000462467117 875573550 /nfs/dbraw/zinc/57/35/50/875573550.db2.gz QISWTMITFIEDAJ-AWEZNQCLSA-N -1 1 416.877 4.396 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000462655081 875760946 /nfs/dbraw/zinc/76/09/46/875760946.db2.gz JDEVMMYFXGJRPK-SECBINFHSA-N -1 1 416.261 4.222 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccnc(O[C@H](C)CC(C)C)c3)nc2)[n-]c(=O)c1C ZINC000462857744 875891201 /nfs/dbraw/zinc/89/12/01/875891201.db2.gz XSCCACRBSRZCAT-OAHLLOKOSA-N -1 1 407.518 4.682 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(c4ccccc4F)C3)c2)cc1 ZINC000463004219 876018625 /nfs/dbraw/zinc/01/86/25/876018625.db2.gz YJWFQLPRAZSSKI-UHFFFAOYSA-N -1 1 424.497 4.175 20 0 HIADMM COc1ccc(-c2cc3[n-]c(-c4ccc(-n5cncn5)c(C)c4)nc(=O)c3s2)cc1 ZINC000463216110 876274404 /nfs/dbraw/zinc/27/44/04/876274404.db2.gz SITMKXJNUFNEOT-UHFFFAOYSA-N -1 1 415.478 4.216 20 0 HIADMM CCc1ccc(-c2ccc(C(=O)Nc3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)cc1 ZINC000463306981 876366362 /nfs/dbraw/zinc/36/63/62/876366362.db2.gz JLWQVQJQYNLJKB-UHFFFAOYSA-N -1 1 414.483 4.141 20 0 HIADMM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC000464045557 877186819 /nfs/dbraw/zinc/18/68/19/877186819.db2.gz IJJMBILOWNZBLF-QZTJIDSGSA-N -1 1 418.559 4.073 20 0 HIADMM O=S(=O)([N-][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc(F)ccc1F ZINC000503245871 912227783 /nfs/dbraw/zinc/22/77/83/912227783.db2.gz LJMFDNRPTDQSSZ-SFHVURJKSA-N -1 1 408.857 4.276 20 0 HIADMM Cc1ccc(-c2ocnc2C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)cc1 ZINC000464319204 877510337 /nfs/dbraw/zinc/51/03/37/877510337.db2.gz ITPUBSPZEDUZGU-UHFFFAOYSA-N -1 1 410.886 4.998 20 0 HIADMM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CCOCC1)c1c(F)cccc1Cl ZINC000464400400 877601996 /nfs/dbraw/zinc/60/19/96/877601996.db2.gz HPJHZULUFPJFOT-UHFFFAOYSA-N -1 1 404.290 4.117 20 0 HIADMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(CCOC)cc2)cc1Cl ZINC000464539556 877754638 /nfs/dbraw/zinc/75/46/38/877754638.db2.gz VXQIDGINGJTTKM-UHFFFAOYSA-N -1 1 404.315 4.382 20 0 HIADMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl ZINC000464547265 877761772 /nfs/dbraw/zinc/76/17/72/877761772.db2.gz VBRUWRBWCQNCCQ-UHFFFAOYSA-N -1 1 403.243 4.040 20 0 HIADMM Cc1cccc([C@H]2CCCCN2C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1C ZINC000464587334 877812403 /nfs/dbraw/zinc/81/24/03/877812403.db2.gz NNDVVEFCBGFVKX-JOCHJYFZSA-N -1 1 416.525 4.466 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1C ZINC000464832148 878089812 /nfs/dbraw/zinc/08/98/12/878089812.db2.gz BQRJGZDYCCQKCQ-UHFFFAOYSA-N -1 1 401.406 4.077 20 0 HIADMM CC[C@@H]1CCC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000465027715 878391957 /nfs/dbraw/zinc/39/19/57/878391957.db2.gz BUWTVYUUEKAXLJ-BFUOFWGJSA-N -1 1 408.470 4.074 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1C[C@H]2CCC[C@@H]2C1 ZINC000465084872 878448522 /nfs/dbraw/zinc/44/85/22/878448522.db2.gz NKYLQJKPILMQKV-HZPDHXFCSA-N -1 1 404.919 4.013 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@H]3CC)c2)cc1 ZINC000465290699 878728084 /nfs/dbraw/zinc/72/80/84/878728084.db2.gz IRGZNUMPYMCDJK-VQIMIIECSA-N -1 1 416.543 4.147 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000465294791 878734376 /nfs/dbraw/zinc/73/43/76/878734376.db2.gz JPIKOMHRKIJGCW-MGPUTAFESA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000465295443 878737039 /nfs/dbraw/zinc/73/70/39/878737039.db2.gz NEOVFGIHXNCIAZ-CJNGLKHVSA-N -1 1 408.470 4.026 20 0 HIADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000465300113 878743340 /nfs/dbraw/zinc/74/33/40/878743340.db2.gz ZUFQNDNEISTKLJ-OXJNMPFZSA-N -1 1 400.544 4.365 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](CC(C)C)C3)cc2)cc1 ZINC000465300708 878745132 /nfs/dbraw/zinc/74/51/32/878745132.db2.gz BDZQIDUSUWFRCC-QGZVFWFLSA-N -1 1 416.543 4.004 20 0 HIADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000465301871 878746198 /nfs/dbraw/zinc/74/61/98/878746198.db2.gz CQHZXAUVBUIPNZ-INIZCTEOSA-N -1 1 404.507 4.135 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](CC(C)C)C2)cc1 ZINC000465306181 878751610 /nfs/dbraw/zinc/75/16/10/878751610.db2.gz UNUXWUKIDLTKEV-QGZVFWFLSA-N -1 1 418.534 4.443 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCCc2ccccc21 ZINC000503422322 912416428 /nfs/dbraw/zinc/41/64/28/912416428.db2.gz PYSCLJHQIJDSHL-UHFFFAOYSA-N -1 1 406.507 4.009 20 0 HIADMM CC1(C)CCCC[C@@H]1NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000466245204 879957846 /nfs/dbraw/zinc/95/78/46/879957846.db2.gz IOURIBUOZAIYBN-FQEVSTJZSA-N -1 1 415.559 4.255 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)cc1 ZINC000466287967 880031131 /nfs/dbraw/zinc/03/11/31/880031131.db2.gz PRYSIXNMLSKJPL-UHFFFAOYSA-N -1 1 422.506 4.408 20 0 HIADMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccc(F)cc1 ZINC000466882865 880649120 /nfs/dbraw/zinc/64/91/20/880649120.db2.gz YDHLCIDWSXABGD-CQSZACIVSA-N -1 1 411.804 4.164 20 0 HIADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000466959381 880745063 /nfs/dbraw/zinc/74/50/63/880745063.db2.gz JFASBJCBWAXTHT-INIZCTEOSA-N -1 1 423.506 4.221 20 0 HIADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000466970159 880771241 /nfs/dbraw/zinc/77/12/41/880771241.db2.gz XDXQWPHWAPKSGS-MRXNPFEDSA-N -1 1 407.507 4.167 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466970942 880774063 /nfs/dbraw/zinc/77/40/63/880774063.db2.gz JZUOYMBLJUNVEK-HNNXBMFYSA-N -1 1 416.474 4.037 20 0 HIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3ncc(C(C)C)o3)cc2)ccc1C ZINC000467089569 880855958 /nfs/dbraw/zinc/85/59/58/880855958.db2.gz GXQSDEYLZJOAKH-UHFFFAOYSA-N -1 1 414.483 4.361 20 0 HIADMM Cc1cccc(C)c1OCCNC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467203577 880932552 /nfs/dbraw/zinc/93/25/52/880932552.db2.gz BEHXUVRWXQAWBA-UHFFFAOYSA-N -1 1 423.538 4.062 20 0 HIADMM Cc1c(=O)[n-]c(S[C@H]2CCN(c3c(F)cccc3F)C2=O)nc1-c1ccccc1 ZINC000467203840 880932732 /nfs/dbraw/zinc/93/27/32/880932732.db2.gz ZIUNSGSTHZTLKR-INIZCTEOSA-N -1 1 413.449 4.333 20 0 HIADMM Cc1ccc(S(=O)(=O)CCCSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000467208896 880937838 /nfs/dbraw/zinc/93/78/38/880937838.db2.gz VKCLMRFGHWQDQZ-UHFFFAOYSA-N -1 1 414.552 4.422 20 0 HIADMM CCC[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000467274897 881018122 /nfs/dbraw/zinc/01/81/22/881018122.db2.gz JUNWEUMWGYRXAG-MRXNPFEDSA-N -1 1 404.507 4.279 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@]3(C)CCCS3)cc2)cc1C ZINC000467340047 881091698 /nfs/dbraw/zinc/09/16/98/881091698.db2.gz BRBKCHBYUIMYPP-NRFANRHFSA-N -1 1 418.584 4.120 20 0 HIADMM COc1ccc(NC(=O)NC2CCC3(CCCCC3)CC2)cc1[N-]S(C)(=O)=O ZINC000469150795 883247412 /nfs/dbraw/zinc/24/74/12/883247412.db2.gz VDANWYBDNIRZDO-UHFFFAOYSA-N -1 1 409.552 4.081 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000469233969 883332692 /nfs/dbraw/zinc/33/26/92/883332692.db2.gz AGTMFGOXHKFNOI-VWLOTQADSA-N -1 1 416.525 4.109 20 0 HIADMM COCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000469514048 883774019 /nfs/dbraw/zinc/77/40/19/883774019.db2.gz QPYDOWKNIHNAMH-UHFFFAOYSA-N -1 1 424.522 4.237 20 0 HIADMM COCc1cccc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1 ZINC000469515371 883777105 /nfs/dbraw/zinc/77/71/05/883777105.db2.gz MBTNFQULECJZSW-UHFFFAOYSA-N -1 1 421.678 4.343 20 0 HIADMM Cc1nc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)sc1C ZINC000469566039 883816717 /nfs/dbraw/zinc/81/67/17/883816717.db2.gz YMNOUZSHNMZVDZ-UHFFFAOYSA-N -1 1 412.696 4.270 20 0 HIADMM CC(C)(C)n1cc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cn1 ZINC000469632364 883841761 /nfs/dbraw/zinc/84/17/61/883841761.db2.gz QEAPFQOCVRHSBL-UHFFFAOYSA-N -1 1 423.698 4.148 20 0 HIADMM CCCCn1nccc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469639697 883844255 /nfs/dbraw/zinc/84/42/55/883844255.db2.gz BDEUUZIKUXBCOP-UHFFFAOYSA-N -1 1 423.698 4.193 20 0 HIADMM CCc1cnc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)s1 ZINC000469716652 883884735 /nfs/dbraw/zinc/88/47/35/883884735.db2.gz GKXOARCMZMIJMX-UHFFFAOYSA-N -1 1 412.696 4.215 20 0 HIADMM CC(C)[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(F)(F)F ZINC000470418935 884822165 /nfs/dbraw/zinc/82/21/65/884822165.db2.gz NUQLWTZQRLQGSF-INIZCTEOSA-N -1 1 415.437 4.196 20 0 HIADMM Cc1ccc(NC(=O)[C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c(Br)c1 ZINC000470458425 884852789 /nfs/dbraw/zinc/85/27/89/884852789.db2.gz LJTMDSZJCIGNSF-JTQLQIEISA-N -1 1 408.321 4.250 20 0 HIADMM CCc1oc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000471232342 885806344 /nfs/dbraw/zinc/80/63/44/885806344.db2.gz WIWOAJYCEBBEAJ-UHFFFAOYSA-N -1 1 402.447 4.343 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(COc2ccccc2)c1C ZINC000471470097 886160035 /nfs/dbraw/zinc/16/00/35/886160035.db2.gz GLAOQVZWSCYKJO-UHFFFAOYSA-N -1 1 416.481 4.120 20 0 HIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cc(CC4CCCCC4)n[nH]3)c3cccc1c23 ZINC000471524241 886227310 /nfs/dbraw/zinc/22/73/10/886227310.db2.gz YNMRSJJTKJDIOE-UHFFFAOYSA-N -1 1 410.499 4.052 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccccc2COCc2ccccc2)ccc1F ZINC000471591717 886304305 /nfs/dbraw/zinc/30/43/05/886304305.db2.gz YYHUXLBBWDQADY-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(F)cc3Cl)n2)cc1 ZINC000471887393 886668341 /nfs/dbraw/zinc/66/83/41/886668341.db2.gz WBEHAQGICJLWLO-LLVKDONJSA-N -1 1 409.870 4.131 20 0 HIADMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000471983844 886812349 /nfs/dbraw/zinc/81/23/49/886812349.db2.gz KWLZPFVQZMCPEG-UHFFFAOYSA-N -1 1 419.396 4.216 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)cc2[nH]ncc21 ZINC000504267244 913127164 /nfs/dbraw/zinc/12/71/64/913127164.db2.gz KWEJPQXPHNCFOT-UHFFFAOYSA-N -1 1 418.675 4.227 20 0 HIADMM Cc1ccc(C)c(-n2cnc3cc(C(=O)Nc4n[n-]c(C(F)(F)F)n4)ccc32)c1 ZINC000472790033 887635636 /nfs/dbraw/zinc/63/56/36/887635636.db2.gz PKALUPKLUDBOTL-UHFFFAOYSA-N -1 1 400.364 4.032 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(C(F)(F)F)c1C ZINC000472810125 887654214 /nfs/dbraw/zinc/65/42/14/887654214.db2.gz XQYTYAWGBHGWSA-UHFFFAOYSA-N -1 1 416.403 4.451 20 0 HIADMM COc1cc(C(=O)N[C@@H]2CCOc3c(Br)cccc32)cc(Cl)c1[O-] ZINC000504338177 913178233 /nfs/dbraw/zinc/17/82/33/913178233.db2.gz IWWWUTDTQDIEJF-CYBMUJFWSA-N -1 1 412.667 4.070 20 0 HIADMM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000473015229 887842438 /nfs/dbraw/zinc/84/24/38/887842438.db2.gz MHYWQAKMVDVRLU-TZMCWYRMSA-N -1 1 406.276 4.223 20 0 HIADMM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1cncs1 ZINC000473165257 887942665 /nfs/dbraw/zinc/94/26/65/887942665.db2.gz OQVJVDHNHQBJEO-LBPRGKRZSA-N -1 1 421.931 4.088 20 0 HIADMM COc1c(F)cc(F)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000473238812 888008933 /nfs/dbraw/zinc/00/89/33/888008933.db2.gz JBZUYTIQULESCM-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC3(CCC3)C2)cc1 ZINC000473316237 888061804 /nfs/dbraw/zinc/06/18/04/888061804.db2.gz AEFCYVHNERWQMK-UHFFFAOYSA-N -1 1 416.518 4.341 20 0 HIADMM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)ccc21 ZINC000473437684 888158745 /nfs/dbraw/zinc/15/87/45/888158745.db2.gz AQKIHSAHFRJXQR-UHFFFAOYSA-N -1 1 403.218 4.113 20 0 HIADMM CN(C)c1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)o1 ZINC000504496889 913286239 /nfs/dbraw/zinc/28/62/39/913286239.db2.gz PXVUKXNOKKUSCY-UHFFFAOYSA-N -1 1 420.494 4.270 20 0 HIADMM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000474086414 888912700 /nfs/dbraw/zinc/91/27/00/888912700.db2.gz CQUHNXXKSLATNG-ZIAGYGMSSA-N -1 1 420.918 4.085 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000474299466 889163557 /nfs/dbraw/zinc/16/35/57/889163557.db2.gz PTLKKXDHSBDYHU-UHFFFAOYSA-N -1 1 405.498 4.264 20 0 HIADMM CCOc1ccc(CCC2CCN(C(=O)c3c(C)[n-]c(=O)nc3SC)CC2)cc1 ZINC000474325305 889195406 /nfs/dbraw/zinc/19/54/06/889195406.db2.gz BCTZUULZEYQSEU-UHFFFAOYSA-N -1 1 415.559 4.096 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccccc1F ZINC000474348461 889224373 /nfs/dbraw/zinc/22/43/73/889224373.db2.gz IJQGPJHOEGGFHX-UHFFFAOYSA-N -1 1 417.437 4.087 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3cc(C4CCOCC4)n[nH]3)cc2s1 ZINC000474421073 889285643 /nfs/dbraw/zinc/28/56/43/889285643.db2.gz KHWIHABMDQGGHK-UHFFFAOYSA-N -1 1 420.560 4.012 20 0 HIADMM Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(C)c1 ZINC000474532963 889404973 /nfs/dbraw/zinc/40/49/73/889404973.db2.gz GUQBFYSVODPWCR-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000474536312 889410978 /nfs/dbraw/zinc/41/09/78/889410978.db2.gz FATPCGHIJCAVDW-CQSZACIVSA-N -1 1 410.518 4.055 20 0 HIADMM O=C(CC1=CCCCC1)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474544489 889420793 /nfs/dbraw/zinc/42/07/93/889420793.db2.gz WHSKHGJLNWUTMS-UHFFFAOYSA-N -1 1 402.491 4.133 20 0 HIADMM CCc1[nH]ccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000504585651 913345782 /nfs/dbraw/zinc/34/57/82/913345782.db2.gz IMUVRCNQOFMYNK-UHFFFAOYSA-N -1 1 403.891 4.284 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000474589232 889457985 /nfs/dbraw/zinc/45/79/85/889457985.db2.gz JFIGTVVPGYOWGI-SNVBAGLBSA-N -1 1 418.519 4.275 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000474590028 889459896 /nfs/dbraw/zinc/45/98/96/889459896.db2.gz PXEXWSUSKDPDOZ-GFCCVEGCSA-N -1 1 414.556 4.444 20 0 HIADMM COc1cc(NC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)ccc1[N-]S(C)(=O)=O ZINC000474591507 889460114 /nfs/dbraw/zinc/46/01/14/889460114.db2.gz ASYNIOCCJXOXMW-LJQANCHMSA-N -1 1 417.531 4.053 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000474700000 889559469 /nfs/dbraw/zinc/55/94/69/889559469.db2.gz YRSCLBZGTKJOKJ-UHFFFAOYSA-N -1 1 415.497 4.057 20 0 HIADMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000474823740 889677792 /nfs/dbraw/zinc/67/77/92/889677792.db2.gz DQAUFSHKIYARLQ-UHFFFAOYSA-N -1 1 421.545 4.171 20 0 HIADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000474896634 889755649 /nfs/dbraw/zinc/75/56/49/889755649.db2.gz LLNOVINVLBJSOU-MJGOQNOKSA-N -1 1 416.543 4.330 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1)c1ccccc1 ZINC000504653512 913395630 /nfs/dbraw/zinc/39/56/30/913395630.db2.gz RHQDAMVQIPWUQE-UHFFFAOYSA-N -1 1 409.442 4.267 20 0 HIADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000475547093 890473131 /nfs/dbraw/zinc/47/31/31/890473131.db2.gz IFMULFSJSGTHLV-OAQYLSRUSA-N -1 1 402.498 4.076 20 0 HIADMM CCCC1(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCC1 ZINC000475715283 890653795 /nfs/dbraw/zinc/65/37/95/890653795.db2.gz LVPKEMFNDNZELY-UHFFFAOYSA-N -1 1 404.507 4.213 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2Br)cc1Cl ZINC000475808600 890742964 /nfs/dbraw/zinc/74/29/64/890742964.db2.gz LQLJIVBKKGNTTO-UHFFFAOYSA-N -1 1 420.712 4.311 20 0 HIADMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cc(F)c(OC)cc3C)ccc2s1 ZINC000475814447 890748755 /nfs/dbraw/zinc/74/87/55/890748755.db2.gz QAECFIXMXHHWFZ-UHFFFAOYSA-N -1 1 423.487 4.335 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cccc1NC(=O)N(C)C ZINC000475838432 890771131 /nfs/dbraw/zinc/77/11/31/890771131.db2.gz VOOBOENBZLSZOI-UHFFFAOYSA-N -1 1 402.303 4.196 20 0 HIADMM Cc1nc(CC(C)C)oc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000476062274 890990526 /nfs/dbraw/zinc/99/05/26/890990526.db2.gz NTCDWEPVFDEFOE-UHFFFAOYSA-N -1 1 413.499 4.235 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1CCCc2c(O)cccc21 ZINC000476063667 890993115 /nfs/dbraw/zinc/99/31/15/890993115.db2.gz MVNLLZLCFSYACE-NRFANRHFSA-N -1 1 422.506 4.252 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(Br)c2C)ccc1Cl ZINC000476385779 891300105 /nfs/dbraw/zinc/30/01/05/891300105.db2.gz AYIATPBMBZURNK-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC000476392232 891308339 /nfs/dbraw/zinc/30/83/39/891308339.db2.gz MZYVYQBMVTZRNI-AREMUKBSSA-N -1 1 403.500 4.243 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000476516284 891429616 /nfs/dbraw/zinc/42/96/16/891429616.db2.gz UYWLUBOIQULCPR-CQSZACIVSA-N -1 1 420.444 4.248 20 0 HIADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1 ZINC000476905225 891858355 /nfs/dbraw/zinc/85/83/55/891858355.db2.gz VQFSGQRRGNFJPV-UHFFFAOYSA-N -1 1 424.675 4.371 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000476977634 891905001 /nfs/dbraw/zinc/90/50/01/891905001.db2.gz BBZDHLZLAHEYBL-JOCHJYFZSA-N -1 1 416.525 4.412 20 0 HIADMM O=C(Nc1scnc1C1CC1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000477101743 892035788 /nfs/dbraw/zinc/03/57/88/892035788.db2.gz RFKGEEVAJICJKE-UHFFFAOYSA-N -1 1 417.487 4.213 20 0 HIADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(Br)c1 ZINC000477128216 892056783 /nfs/dbraw/zinc/05/67/83/892056783.db2.gz UZGOQWJNLCJBNS-UHFFFAOYSA-N -1 1 400.276 4.461 20 0 HIADMM O=C1NCCN1Cc1ccccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000477305119 892266552 /nfs/dbraw/zinc/26/65/52/892266552.db2.gz YWMISPSZGNNGJU-UHFFFAOYSA-N -1 1 413.543 4.060 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1ccc(F)c(F)c1F ZINC000477410131 892361800 /nfs/dbraw/zinc/36/18/00/892361800.db2.gz BTSPFRGUEHZLDA-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CCC1(C)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000504921342 913658955 /nfs/dbraw/zinc/65/89/55/913658955.db2.gz WCEKMJJFDNYBKD-UHFFFAOYSA-N -1 1 404.507 4.279 20 0 HIADMM CCC1(C)CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1 ZINC000504931191 913671929 /nfs/dbraw/zinc/67/19/29/913671929.db2.gz SVVZTSWVBZONLM-UHFFFAOYSA-N -1 1 400.544 4.448 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000504942387 913682377 /nfs/dbraw/zinc/68/23/77/913682377.db2.gz MCVLMEVXMNJDGK-KBPBESRZSA-N -1 1 412.433 4.405 20 0 HIADMM COc1cc(NC(=O)N[C@H](CC2CCC2)c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000477584354 892650842 /nfs/dbraw/zinc/65/08/42/892650842.db2.gz CFQYDQXLARRBRO-LJQANCHMSA-N -1 1 417.531 4.120 20 0 HIADMM Cc1nc(-c2ccc(NCCCOc3ccc(C(F)(F)F)cn3)nc2)[n-]c(=O)c1C ZINC000477701749 892817038 /nfs/dbraw/zinc/81/70/38/892817038.db2.gz JXZXAUNMWRFYSH-UHFFFAOYSA-N -1 1 419.407 4.156 20 0 HIADMM C[C@@H](Nc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000477716618 892824466 /nfs/dbraw/zinc/82/44/66/892824466.db2.gz UTRWWAVDUSQZLY-SECBINFHSA-N -1 1 405.405 4.352 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3CCO4)cc2)c1C ZINC000477729583 892830507 /nfs/dbraw/zinc/83/05/07/892830507.db2.gz CHQJWKSUGDZBJQ-UHFFFAOYSA-N -1 1 422.506 4.291 20 0 HIADMM CC(C)c1ccc([C@H](NC(=O)CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C(C)C)cc1 ZINC000477870307 892929424 /nfs/dbraw/zinc/92/94/24/892929424.db2.gz ZLDIBACKUGPGPF-OQLXKQOESA-N -1 1 400.563 4.341 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)cc(Cl)c1[O-] ZINC000477895009 892960882 /nfs/dbraw/zinc/96/08/82/892960882.db2.gz RPIUCTNPTBASFA-UHFFFAOYSA-N -1 1 411.845 4.344 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(CCc3ccccc3)no2)c1)c1ccccc1 ZINC000504992653 913737458 /nfs/dbraw/zinc/73/74/58/913737458.db2.gz WMOQDSGWLCAJPE-UHFFFAOYSA-N -1 1 405.479 4.323 20 0 HIADMM COc1cc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1F ZINC000478053554 893207156 /nfs/dbraw/zinc/20/71/56/893207156.db2.gz NBMQXHDKEYXEHC-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000478231750 893393730 /nfs/dbraw/zinc/39/37/30/893393730.db2.gz JCHNFFZCRPOKRG-IBGZPJMESA-N -1 1 424.497 4.256 20 0 HIADMM C[C@@H](CN(C)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)c1nn[n-]n1 ZINC000478586837 893861242 /nfs/dbraw/zinc/86/12/42/893861242.db2.gz QROSSUIOPUYIDW-LBPRGKRZSA-N -1 1 419.316 4.055 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(CC1CC1)CC1CCC1 ZINC000478616624 893877978 /nfs/dbraw/zinc/87/79/78/893877978.db2.gz SKLREHIUKXEKMD-UHFFFAOYSA-N -1 1 416.518 4.279 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N(CC1CC1)C1CCC1 ZINC000478636831 893889159 /nfs/dbraw/zinc/88/91/59/893889159.db2.gz ZFWCLHYQUIWUNC-UHFFFAOYSA-N -1 1 402.491 4.031 20 0 HIADMM CCc1cc(Br)ccc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000478640310 893890872 /nfs/dbraw/zinc/89/08/72/893890872.db2.gz UEQLUYVHUZCZQL-UHFFFAOYSA-N -1 1 410.337 4.109 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1NC(=O)N(C)C ZINC000478686479 893941555 /nfs/dbraw/zinc/94/15/55/893941555.db2.gz JPLZWKAEYHHPBM-UHFFFAOYSA-N -1 1 415.437 4.217 20 0 HIADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000478687949 893944423 /nfs/dbraw/zinc/94/44/23/893944423.db2.gz BABONJVSNUNELU-UHFFFAOYSA-N -1 1 410.783 4.476 20 0 HIADMM CC(C)c1[nH]ccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000505142263 913839277 /nfs/dbraw/zinc/83/92/77/913839277.db2.gz KPCZRADVWOOOLS-UHFFFAOYSA-N -1 1 419.453 4.469 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000478901308 894182080 /nfs/dbraw/zinc/18/20/80/894182080.db2.gz MSBLLUVYZDJAFD-UHFFFAOYSA-N -1 1 412.496 4.012 20 0 HIADMM CCc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000478913781 894193297 /nfs/dbraw/zinc/19/32/97/894193297.db2.gz ZYDWPHWRRYBFNI-UHFFFAOYSA-N -1 1 400.525 4.041 20 0 HIADMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)cc1OCC ZINC000478989673 894264584 /nfs/dbraw/zinc/26/45/84/894264584.db2.gz ZZKKWBOSKYFCJN-GFCCVEGCSA-N -1 1 408.292 4.443 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ncc3n2CCCC3)cc1)c1ccc2ncsc2c1 ZINC000479065253 894329415 /nfs/dbraw/zinc/32/94/15/894329415.db2.gz RQJYXLCNIVZCAX-UHFFFAOYSA-N -1 1 410.524 4.297 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccc2ncsc2c1 ZINC000479129036 894397569 /nfs/dbraw/zinc/39/75/69/894397569.db2.gz HHFOUNPEEHBRBL-UHFFFAOYSA-N -1 1 407.480 4.035 20 0 HIADMM C[C@H]1CC(C)(C)N(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c2ccccc21 ZINC000479256881 894523497 /nfs/dbraw/zinc/52/34/97/894523497.db2.gz ZBMYZCRTBKWOTJ-AWEZNQCLSA-N -1 1 404.532 4.289 20 0 HIADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C(F)(F)F)OCO2 ZINC000479261849 894530369 /nfs/dbraw/zinc/53/03/69/894530369.db2.gz WPZSKJJOFAPBBQ-UHFFFAOYSA-N -1 1 417.405 4.331 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)C(F)(F)F)ccc2C)c1 ZINC000479366937 894666109 /nfs/dbraw/zinc/66/61/09/894666109.db2.gz NNGUJXQNHMYJQF-CQSZACIVSA-N -1 1 414.449 4.032 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](C)C(F)(F)F)cc2)c1 ZINC000479384766 894686203 /nfs/dbraw/zinc/68/62/03/894686203.db2.gz XCPIZBOZWNRHPY-CQSZACIVSA-N -1 1 414.449 4.032 20 0 HIADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000479392383 894695913 /nfs/dbraw/zinc/69/59/13/894695913.db2.gz LNFCTEOBRDKABT-YJYMSZOUSA-N -1 1 408.470 4.026 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](C)[C@@H]3CC)cc2)cc1 ZINC000479420536 894730988 /nfs/dbraw/zinc/73/09/88/894730988.db2.gz WZISLHAGOKDJTN-IERDGZPVSA-N -1 1 416.543 4.147 20 0 HIADMM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479483965 894805787 /nfs/dbraw/zinc/80/57/87/894805787.db2.gz ZKNQKXGBGXPUGU-UHFFFAOYSA-N -1 1 406.529 4.039 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)oc2c1)c1ccc2ncsc2c1 ZINC000479498300 894815743 /nfs/dbraw/zinc/81/57/43/894815743.db2.gz MAGFUAFTWHRGIA-UHFFFAOYSA-N -1 1 408.464 4.300 20 0 HIADMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)cc1 ZINC000479504756 894820429 /nfs/dbraw/zinc/82/04/29/894820429.db2.gz YMCRKTULUJVQNL-UHFFFAOYSA-N -1 1 404.507 4.160 20 0 HIADMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479518768 894829641 /nfs/dbraw/zinc/82/96/41/894829641.db2.gz SCWWTMICUGBEAE-CQSZACIVSA-N -1 1 415.540 4.112 20 0 HIADMM Cc1coc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Br)cc12 ZINC000479553468 894852251 /nfs/dbraw/zinc/85/22/51/894852251.db2.gz JUEZORZQCXSRPS-UHFFFAOYSA-N -1 1 410.245 4.003 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2cccc(C(C)(C)C)c2O)ccc1OCCCC(=O)[O-] ZINC000479563804 894860532 /nfs/dbraw/zinc/86/05/32/894860532.db2.gz DHMDZUDTLWKMBK-UHFFFAOYSA-N -1 1 421.515 4.043 20 0 HIADMM Cc1ccc(C(=O)N(C(C)C)C2CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000505284515 913942032 /nfs/dbraw/zinc/94/20/32/913942032.db2.gz WRCKMJCXXXJTNG-UHFFFAOYSA-N -1 1 406.935 4.462 20 0 HIADMM Cc1ccc(C)c([C@@H]2CN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)[C@H](C)CO2)c1 ZINC000480068547 895417644 /nfs/dbraw/zinc/41/76/44/895417644.db2.gz DJQFNLQWCHPQCP-IERDGZPVSA-N -1 1 404.514 4.444 20 0 HIADMM Cc1cccc(S(=O)(=O)[N-]c2nc(C)c(Br)cc2Br)c1 ZINC000480102697 895470605 /nfs/dbraw/zinc/47/06/05/895470605.db2.gz HKOBHJWVSZVAFV-UHFFFAOYSA-N -1 1 420.126 4.024 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000480198766 895597876 /nfs/dbraw/zinc/59/78/76/895597876.db2.gz ULXRPQSTWNXHOI-ZDUSSCGKSA-N -1 1 414.449 4.121 20 0 HIADMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000480202557 895602084 /nfs/dbraw/zinc/60/20/84/895602084.db2.gz YTUSYTNHFOBLNV-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM Cc1ccc(-n2ncc([N-]S(=O)(=O)CCOc3ccc(F)cc3)c2C(C)C)cc1 ZINC000480209179 895611709 /nfs/dbraw/zinc/61/17/09/895611709.db2.gz MDIHKYLGNJCWAY-UHFFFAOYSA-N -1 1 417.506 4.264 20 0 HIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480230446 895636319 /nfs/dbraw/zinc/63/63/19/895636319.db2.gz MNLVPXGSEBBCFK-UHFFFAOYSA-N -1 1 400.422 4.187 20 0 HIADMM Cc1nc(-c2ccc(N3CCC[C@H](OCc4ccccc4F)C3)nc2)[n-]c(=O)c1C ZINC000480367904 895774713 /nfs/dbraw/zinc/77/47/13/895774713.db2.gz XEYIIJAUMXPUFU-IBGZPJMESA-N -1 1 408.477 4.186 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)cc1 ZINC000480422449 895818586 /nfs/dbraw/zinc/81/85/86/895818586.db2.gz UIAKRTIGSHGCLV-FQEVSTJZSA-N -1 1 400.544 4.302 20 0 HIADMM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000480562116 895922154 /nfs/dbraw/zinc/92/21/54/895922154.db2.gz YXJKWULYDBGNQJ-UHFFFAOYSA-N -1 1 424.241 4.168 20 0 HIADMM Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000480584208 895946909 /nfs/dbraw/zinc/94/69/09/895946909.db2.gz PWLOKLVNKFOANR-FQEVSTJZSA-N -1 1 424.547 4.451 20 0 HIADMM CCCCOc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1OC ZINC000480610514 895976837 /nfs/dbraw/zinc/97/68/37/895976837.db2.gz KIYHXGFQUBKGBT-UHFFFAOYSA-N -1 1 408.292 4.272 20 0 HIADMM Cc1nc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(C)s1 ZINC000480815133 896186437 /nfs/dbraw/zinc/18/64/37/896186437.db2.gz ZILCLRQPDPJWOX-UHFFFAOYSA-N -1 1 415.540 4.050 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000481087316 896407067 /nfs/dbraw/zinc/40/70/67/896407067.db2.gz FFJXLPYEWSZNAN-HZPDHXFCSA-N -1 1 402.376 4.145 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000481087312 896407384 /nfs/dbraw/zinc/40/73/84/896407384.db2.gz FFJXLPYEWSZNAN-CVEARBPZSA-N -1 1 402.376 4.145 20 0 HIADMM O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)cc1 ZINC000481453883 896849412 /nfs/dbraw/zinc/84/94/12/896849412.db2.gz HIPZGNGBMXJTAF-UHFFFAOYSA-N -1 1 415.492 4.263 20 0 HIADMM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)s1 ZINC000481495482 896872340 /nfs/dbraw/zinc/87/23/40/896872340.db2.gz RPZIDPULOLTKSW-JTQLQIEISA-N -1 1 420.261 4.086 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1ccc(C(F)(F)F)cn1 ZINC000481596965 896976733 /nfs/dbraw/zinc/97/67/33/896976733.db2.gz JXCZRUGBQNSRAI-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1-c1ncco1 ZINC000481619790 897003505 /nfs/dbraw/zinc/00/35/05/897003505.db2.gz KSZDJNRMVBSCDI-GFCCVEGCSA-N -1 1 404.875 4.428 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000481890977 897266730 /nfs/dbraw/zinc/26/67/30/897266730.db2.gz SNETVCAZYBBNRL-UHFFFAOYSA-N -1 1 409.914 4.247 20 0 HIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000481942807 897329128 /nfs/dbraw/zinc/32/91/28/897329128.db2.gz LAZXEUDDVZPWFL-UHFFFAOYSA-N -1 1 406.389 4.239 20 0 HIADMM C[C@@H](Oc1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000481943523 897331440 /nfs/dbraw/zinc/33/14/40/897331440.db2.gz FRUWFNDDSDLGEY-MRXNPFEDSA-N -1 1 411.479 4.255 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)cc1Cl ZINC000481964376 897353032 /nfs/dbraw/zinc/35/30/32/897353032.db2.gz SBGUWZXUNHPLCD-UHFFFAOYSA-N -1 1 423.922 4.002 20 0 HIADMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)ccc2o1 ZINC000482035737 897450487 /nfs/dbraw/zinc/45/04/87/897450487.db2.gz DIBFWUQKGJOXBW-ZSEKCTLFSA-N -1 1 404.532 4.262 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1cccc(OC)c1 ZINC000505537534 914233436 /nfs/dbraw/zinc/23/34/36/914233436.db2.gz BOILVODCCFNZSA-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1cccc(OC)c1 ZINC000505538805 914233851 /nfs/dbraw/zinc/23/38/51/914233851.db2.gz QOLVZKOIXQXWEE-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM Cc1cc2nc(C)c(CCC(=O)Nc3cc(C)cc(Br)c3[O-])c(C)n2n1 ZINC000482654938 898258237 /nfs/dbraw/zinc/25/82/37/898258237.db2.gz DRPQZLAOWGZHOK-UHFFFAOYSA-N -1 1 417.307 4.002 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)c1 ZINC000482688347 898289381 /nfs/dbraw/zinc/28/93/81/898289381.db2.gz CMINOPPXWGTSTF-UHFFFAOYSA-N -1 1 406.276 4.151 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)cc1)c1ccccc1 ZINC000482702038 898302228 /nfs/dbraw/zinc/30/22/28/898302228.db2.gz APHNHOOLEVVUTH-CQSZACIVSA-N -1 1 405.426 4.440 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2cnn(-c3ccccc3)c2)c1 ZINC000482710507 898309514 /nfs/dbraw/zinc/30/95/14/898309514.db2.gz QETKDYKODQSIJP-UHFFFAOYSA-N -1 1 400.276 4.220 20 0 HIADMM Cc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])cnn1-c1ccccc1F ZINC000482712837 898312773 /nfs/dbraw/zinc/31/27/73/898312773.db2.gz UMATVMAQJQBRAX-UHFFFAOYSA-N -1 1 404.239 4.349 20 0 HIADMM Cc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])cnn1Cc1ccccc1 ZINC000482725083 898325803 /nfs/dbraw/zinc/32/58/03/898325803.db2.gz SMKADBVMZPDQCN-UHFFFAOYSA-N -1 1 400.276 4.269 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)C2(c3ccccc3C)CCOCC2)c1 ZINC000482736339 898337820 /nfs/dbraw/zinc/33/78/20/898337820.db2.gz OFPAPIFLMPXACI-UHFFFAOYSA-N -1 1 404.304 4.458 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccn(C(C)C)n2)c1 ZINC000482737901 898339707 /nfs/dbraw/zinc/33/97/07/898339707.db2.gz CGPHTXMMXXVAOC-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM Cc1noc(C)c1Cc1noc(-c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000482773557 898382249 /nfs/dbraw/zinc/38/22/49/898382249.db2.gz URPWLFRMNAYYOF-UHFFFAOYSA-N -1 1 424.482 4.041 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCSCC[C@H]3C)cc2)cc1C ZINC000482974944 898611040 /nfs/dbraw/zinc/61/10/40/898611040.db2.gz BKKGZIFDLCLHEL-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM COC(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)c(F)c1 ZINC000483322937 898951716 /nfs/dbraw/zinc/95/17/16/898951716.db2.gz MFRKDUCYFHDKKO-UHFFFAOYSA-N -1 1 403.460 4.105 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1OC1CC1 ZINC000483649849 899307900 /nfs/dbraw/zinc/30/79/00/899307900.db2.gz XFSDVLLDMOKYNM-UHFFFAOYSA-N -1 1 408.479 4.281 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2csc3ccccc23)cc1Br ZINC000484134602 899755140 /nfs/dbraw/zinc/75/51/40/899755140.db2.gz OIGMBWPUGAAYNR-UHFFFAOYSA-N -1 1 412.286 4.163 20 0 HIADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c1 ZINC000484486963 899978898 /nfs/dbraw/zinc/97/88/98/899978898.db2.gz IUTARAJFRYEGHN-UHFFFAOYSA-N -1 1 414.458 4.174 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(CSC2CCOCC2)c1 ZINC000484594098 900056980 /nfs/dbraw/zinc/05/69/80/900056980.db2.gz WCJIMRAOSVRWMC-UHFFFAOYSA-N -1 1 407.557 4.046 20 0 HIADMM CCc1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)nn1-c1ccccc1 ZINC000484703447 900138590 /nfs/dbraw/zinc/13/85/90/900138590.db2.gz MSHWNJFZVZSFBF-UHFFFAOYSA-N -1 1 410.890 4.254 20 0 HIADMM CCSc1cccc(F)c1[N-]C(=O)c1nnn(CCOc2ccc(F)cc2)c1C ZINC000484930367 900302901 /nfs/dbraw/zinc/30/29/01/900302901.db2.gz AMASEEFJHBMBDU-UHFFFAOYSA-N -1 1 418.469 4.308 20 0 HIADMM CCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCOCC1 ZINC000485016684 900363562 /nfs/dbraw/zinc/36/35/62/900363562.db2.gz KMMITUUVRQEKOM-UHFFFAOYSA-N -1 1 422.934 4.286 20 0 HIADMM O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000485041438 900377773 /nfs/dbraw/zinc/37/77/73/900377773.db2.gz HJNXRBZWLLTXBK-OAHLLOKOSA-N -1 1 419.396 4.203 20 0 HIADMM O=C1CCCc2cc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)ccc2N1 ZINC000485040231 900378702 /nfs/dbraw/zinc/37/87/02/900378702.db2.gz AQIHDDXWTWIRTA-UHFFFAOYSA-N -1 1 416.833 4.017 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)ccc1F ZINC000485053598 900384635 /nfs/dbraw/zinc/38/46/35/900384635.db2.gz WQIRBPMLTLUGDP-UHFFFAOYSA-N -1 1 409.376 4.352 20 0 HIADMM CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CCOCC1 ZINC000485095073 900406422 /nfs/dbraw/zinc/40/64/22/900406422.db2.gz IZDGGXMZLHPHJG-UHFFFAOYSA-N -1 1 416.543 4.250 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(F)c3)c(F)c2)cc1F ZINC000485126650 900430356 /nfs/dbraw/zinc/43/03/56/900430356.db2.gz SVIOWQWFZGZWMZ-UHFFFAOYSA-N -1 1 423.412 4.492 20 0 HIADMM CO[C@@](C)(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CC1 ZINC000485417371 900715989 /nfs/dbraw/zinc/71/59/89/900715989.db2.gz DIWGPNNGYCDWAC-HXUWFJFHSA-N -1 1 422.934 4.203 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)[C@H]1CCCCCC(=O)C1 ZINC000485657830 900909158 /nfs/dbraw/zinc/90/91/58/900909158.db2.gz BUAOETOGQIGIAR-HNNXBMFYSA-N -1 1 418.490 4.105 20 0 HIADMM C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000485658301 900910581 /nfs/dbraw/zinc/91/05/81/900910581.db2.gz CHHHQSGDGLSMFY-MRXNPFEDSA-N -1 1 412.486 4.444 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc[nH]c1C1CCC1 ZINC000485661919 900914287 /nfs/dbraw/zinc/91/42/87/900914287.db2.gz MUPZPOSNQRGGCA-UHFFFAOYSA-N -1 1 413.474 4.474 20 0 HIADMM CCCc1nc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000485699907 900950333 /nfs/dbraw/zinc/95/03/33/900950333.db2.gz IWQUUBNYPXLYFC-UHFFFAOYSA-N -1 1 415.540 4.457 20 0 HIADMM O=C(CCOc1ccccc1I)Nc1ccc([O-])c(Cl)c1 ZINC000485755238 901011951 /nfs/dbraw/zinc/01/19/51/901011951.db2.gz IDACWILUINWTHM-UHFFFAOYSA-N -1 1 417.630 4.058 20 0 HIADMM CCc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)c1CC ZINC000486091234 901279885 /nfs/dbraw/zinc/27/98/85/901279885.db2.gz RESHAWVZVULYRW-UHFFFAOYSA-N -1 1 409.511 4.260 20 0 HIADMM O=c1cc(/C=C\c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)nc2nc[n-]n21 ZINC000486128175 901315012 /nfs/dbraw/zinc/31/50/12/901315012.db2.gz SRJQIJQMHWAJAD-KTKRTIGZSA-N -1 1 414.856 4.094 20 0 HIADMM O=C(Nc1ccc2scnc2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505899881 914540333 /nfs/dbraw/zinc/54/03/33/914540333.db2.gz VANOPHLASSRKGC-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM COc1ccccc1C(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000487258955 902122190 /nfs/dbraw/zinc/12/21/90/902122190.db2.gz HDRDVGPNTVKGQN-UHFFFAOYSA-N -1 1 424.522 4.161 20 0 HIADMM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000487944131 902474455 /nfs/dbraw/zinc/47/44/55/902474455.db2.gz KOFCYEZLZCZLRR-UHFFFAOYSA-N -1 1 422.554 4.256 20 0 HIADMM COCCOc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ccc1OC ZINC000505987880 914653799 /nfs/dbraw/zinc/65/37/99/914653799.db2.gz PTXDYSRNLJRAMC-UHFFFAOYSA-N -1 1 413.495 4.188 20 0 HIADMM O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1cc(Br)c(F)cc1F ZINC000488891456 903061006 /nfs/dbraw/zinc/06/10/06/903061006.db2.gz OWZHQTRJTBZKNH-CYBMUJFWSA-N -1 1 420.300 4.243 20 0 HIADMM O=C(C[C@H]1C=CCCC1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000489459091 903395237 /nfs/dbraw/zinc/39/52/37/903395237.db2.gz BZUDLSMJWLHNOD-AWEZNQCLSA-N -1 1 406.454 4.451 20 0 HIADMM Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)cs1 ZINC000489717587 903556568 /nfs/dbraw/zinc/55/65/68/903556568.db2.gz HOCVXIDWLWBIJJ-UHFFFAOYSA-N -1 1 408.888 4.271 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccccc3)c2)c(Cl)c1 ZINC000489750152 903576163 /nfs/dbraw/zinc/57/61/63/903576163.db2.gz ZRYCCQTUXBHIEX-UHFFFAOYSA-N -1 1 415.854 4.070 20 0 HIADMM CCCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000489876072 903645958 /nfs/dbraw/zinc/64/59/58/903645958.db2.gz UFYZXIVDCXGJEZ-UHFFFAOYSA-N -1 1 414.449 4.378 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc([C@H]4C[C@@H]4C)[nH]n3)c2)c1 ZINC000490255657 903856591 /nfs/dbraw/zinc/85/65/91/903856591.db2.gz VTRIIMLAOSEOHI-YJBOKZPZSA-N -1 1 424.526 4.203 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([C@H]4C[C@H]4C)[nH]n3)cc2)c1 ZINC000490268684 903865489 /nfs/dbraw/zinc/86/54/89/903865489.db2.gz CLSSXTGABRBTNQ-QAPCUYQASA-N -1 1 424.526 4.203 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000490299058 903886413 /nfs/dbraw/zinc/88/64/13/903886413.db2.gz KBKZIVXYDQUKLP-UHFFFAOYSA-N -1 1 400.500 4.073 20 0 HIADMM Cc1nc(S(=O)(=O)[C@@H](C)c2nc(-c3ccccc3C)no2)[nH]c1-c1ccccc1 ZINC000490423789 903999830 /nfs/dbraw/zinc/99/98/30/903999830.db2.gz RDEFCBSLQHJOIV-HNNXBMFYSA-N -1 1 408.483 4.278 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@@H](C)c2nc(-c3ccccc3C)no2)nc1-c1ccccc1 ZINC000490423789 903999840 /nfs/dbraw/zinc/99/98/40/903999840.db2.gz RDEFCBSLQHJOIV-HNNXBMFYSA-N -1 1 408.483 4.278 20 0 HIADMM Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc(Br)c([O-])c3)n2)ccc1F ZINC000490542440 904087779 /nfs/dbraw/zinc/08/77/79/904087779.db2.gz IWUGHUUGIJZOAL-JTQLQIEISA-N -1 1 420.238 4.143 20 0 HIADMM O=C(Cc1ccccc1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000490693931 904175732 /nfs/dbraw/zinc/17/57/32/904175732.db2.gz JMPLDTCFBOXEDW-UHFFFAOYSA-N -1 1 416.886 4.028 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCc4cccc(O)c43)c2)c1 ZINC000490901530 904310435 /nfs/dbraw/zinc/31/04/35/904310435.db2.gz PFXCFAAMVXGGMC-UHFFFAOYSA-N -1 1 422.506 4.094 20 0 HIADMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000491074012 904412301 /nfs/dbraw/zinc/41/23/01/904412301.db2.gz HAZFOQSSEASSFC-APWZRJJASA-N -1 1 404.304 4.361 20 0 HIADMM O=C(NCc1cc(Cl)ccc1OC(F)F)c1ccc(Br)c([O-])c1 ZINC000491289692 904520488 /nfs/dbraw/zinc/52/04/88/904520488.db2.gz OVLRFSDMDGKGNL-UHFFFAOYSA-N -1 1 406.610 4.340 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC2(C)CCCCC2)cc1 ZINC000492713387 904892441 /nfs/dbraw/zinc/89/24/41/904892441.db2.gz XNRFZCAAVFOAGT-UHFFFAOYSA-N -1 1 404.507 4.388 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCc4occc43)c2)c1 ZINC000493230059 905056368 /nfs/dbraw/zinc/05/63/68/905056368.db2.gz OONHHKANNVSXRA-FQEVSTJZSA-N -1 1 410.495 4.196 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000493308474 905082284 /nfs/dbraw/zinc/08/22/84/905082284.db2.gz YXTLXLDNLKBQKS-HXUWFJFHSA-N -1 1 410.495 4.196 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC/C=C\c3ccccc3)c2)cc1 ZINC000493913088 905264974 /nfs/dbraw/zinc/26/49/74/905264974.db2.gz SXGWKTITVXWMLK-TWGQIWQCSA-N -1 1 406.507 4.239 20 0 HIADMM COc1ccccc1N1CCC([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000493958357 905306951 /nfs/dbraw/zinc/30/69/51/905306951.db2.gz QFSNNTAPXZQKHE-UHFFFAOYSA-N -1 1 421.371 4.011 20 0 HIADMM CC[C@H](c1cccc(OC)c1)N(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000494248070 905574743 /nfs/dbraw/zinc/57/47/43/905574743.db2.gz OWSJGXMBJOJGLK-OAQYLSRUSA-N -1 1 420.513 4.104 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(F)(F)F)cc1Cl ZINC000512459643 921175503 /nfs/dbraw/zinc/17/55/03/921175503.db2.gz JHQFOELMPHAARR-MRXNPFEDSA-N -1 1 420.840 4.189 20 0 HIADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000495097991 906237651 /nfs/dbraw/zinc/23/76/51/906237651.db2.gz ADWWXGCJUGVAEO-AWEZNQCLSA-N -1 1 414.449 4.338 20 0 HIADMM C[C@H](CCCC(F)(F)F)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000495098901 906238509 /nfs/dbraw/zinc/23/85/09/906238509.db2.gz CSNLBIFFKTVRSW-CQSZACIVSA-N -1 1 414.449 4.338 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000495332046 906381426 /nfs/dbraw/zinc/38/14/26/906381426.db2.gz LQSAKEOQPLVDDR-JOCHJYFZSA-N -1 1 414.509 4.239 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3Cc4ccccc4C3)c2)cc1 ZINC000512620756 921264937 /nfs/dbraw/zinc/26/49/37/921264937.db2.gz SHVGUXZZZSCMBN-UHFFFAOYSA-N -1 1 420.534 4.035 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(-c4nccs4)c3)c3cccc(c23)C1=O ZINC000512762745 921303348 /nfs/dbraw/zinc/30/33/48/921303348.db2.gz VPQXYALNEHKQOQ-UHFFFAOYSA-N -1 1 421.503 4.354 20 0 HIADMM Cc1ccc(CN(CCc2ccccc2)C(=O)c2nc3ccccc3c(=O)[n-]2)s1 ZINC000497737001 907234164 /nfs/dbraw/zinc/23/41/64/907234164.db2.gz SMWDEIQLZJNUCN-UHFFFAOYSA-N -1 1 403.507 4.178 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)nc2)cc1OC ZINC000512829292 921334362 /nfs/dbraw/zinc/33/43/62/921334362.db2.gz UKZZCBZCJFODSS-UHFFFAOYSA-N -1 1 420.874 4.345 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(C4CC4)n3)cc2)cc1 ZINC000498115294 907626198 /nfs/dbraw/zinc/62/61/98/907626198.db2.gz TWAILPCMWPVRTK-UHFFFAOYSA-N -1 1 407.495 4.321 20 0 HIADMM O=C(NCc1ccccc1Cl)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498209156 907740582 /nfs/dbraw/zinc/74/05/82/907740582.db2.gz GXPVGUYRZBPTEE-UHFFFAOYSA-N -1 1 415.902 4.463 20 0 HIADMM Cc1cc(SC2CCCCC2)ccc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000498403300 907884301 /nfs/dbraw/zinc/88/43/01/907884301.db2.gz UIQGTHOXZZPFIT-UHFFFAOYSA-N -1 1 404.557 4.320 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1F ZINC000498403343 907884609 /nfs/dbraw/zinc/88/46/09/907884609.db2.gz IJBOXONIWMZUKF-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM O=C(NC1(c2ccccc2)CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000498534265 908002044 /nfs/dbraw/zinc/00/20/44/908002044.db2.gz NEPOPZQDWJDMSB-UHFFFAOYSA-N -1 1 406.507 4.297 20 0 HIADMM CSc1nc(C)c(CCC(=O)NC2(c3ccc(F)cc3F)CCCCC2)c(=O)[n-]1 ZINC000498807290 908216660 /nfs/dbraw/zinc/21/66/60/908216660.db2.gz VEMORKRTSPGGIF-UHFFFAOYSA-N -1 1 421.513 4.399 20 0 HIADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)o1 ZINC000499179745 908536242 /nfs/dbraw/zinc/53/62/42/908536242.db2.gz LXZUJLUNOGIMCP-UHFFFAOYSA-N -1 1 422.915 4.245 20 0 HIADMM CC(C)c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n[nH]1 ZINC000512944165 921430378 /nfs/dbraw/zinc/43/03/78/921430378.db2.gz YTEPYXHWBSJTKW-UHFFFAOYSA-N -1 1 418.906 4.240 20 0 HIADMM COc1ccc(-c2ccc(C)c(NC(=O)CCc3c(C)nc(SC)[n-]c3=O)c2)cn1 ZINC000512969200 921444399 /nfs/dbraw/zinc/44/43/99/921444399.db2.gz XLRKUOSIGASLSS-UHFFFAOYSA-N -1 1 424.526 4.163 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc2ncccc2c1 ZINC000499671442 908871618 /nfs/dbraw/zinc/87/16/18/908871618.db2.gz UFFFBJRUUGMRNV-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000500155543 909636682 /nfs/dbraw/zinc/63/66/82/909636682.db2.gz JWQWGICWTAQFTA-IBGZPJMESA-N -1 1 404.507 4.277 20 0 HIADMM CC(C)C[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000500157572 909639258 /nfs/dbraw/zinc/63/92/58/909639258.db2.gz OEYQVRQVUVQDPH-LJQANCHMSA-N -1 1 404.507 4.277 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3CC(C)C)c2)cc1 ZINC000500171824 909659215 /nfs/dbraw/zinc/65/92/15/909659215.db2.gz LKIGZTZZNQDXJQ-LJQANCHMSA-N -1 1 416.543 4.147 20 0 HIADMM CCC[C@H]1CCc2nc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)sc2C1 ZINC000500746512 910056417 /nfs/dbraw/zinc/05/64/17/910056417.db2.gz IUVLGYUGYUEPIM-AWEZNQCLSA-N -1 1 423.542 4.095 20 0 HIADMM Cc1ncc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)s1 ZINC000500824463 910102848 /nfs/dbraw/zinc/10/28/48/910102848.db2.gz NREOACZLDUFWMM-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CC)c(Cl)c2)c(C)c1 ZINC000501788579 910841039 /nfs/dbraw/zinc/84/10/39/910841039.db2.gz ADIMSOUAADIBNI-UHFFFAOYSA-N -1 1 424.950 4.330 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2)c(C)c1 ZINC000501791546 910844211 /nfs/dbraw/zinc/84/42/11/910844211.db2.gz FUMOXFHHMVGYCN-UHFFFAOYSA-N -1 1 416.543 4.067 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC(C)=O)c(C)c1 ZINC000501799000 910850844 /nfs/dbraw/zinc/85/08/44/910850844.db2.gz OBBCWNOMAZETFF-UHFFFAOYSA-N -1 1 416.421 4.172 20 0 HIADMM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502445164 911430825 /nfs/dbraw/zinc/43/08/25/911430825.db2.gz SDYXZHSSIQNTGN-VXGBXAGGSA-N -1 1 416.765 4.194 20 0 HIADMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502445143 911431969 /nfs/dbraw/zinc/43/19/69/911431969.db2.gz SDYXZHSSIQNTGN-NEPJUHHUSA-N -1 1 416.765 4.194 20 0 HIADMM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2csc3ccccc32)cc1OC ZINC000506733408 915418782 /nfs/dbraw/zinc/41/87/82/915418782.db2.gz FFXTYYOCTMMJGO-UHFFFAOYSA-N -1 1 411.888 4.151 20 0 HIADMM O=S(=O)([N-]CCc1c(Cl)cccc1Cl)c1sccc1Br ZINC000507301924 916066308 /nfs/dbraw/zinc/06/63/08/916066308.db2.gz VILREPAGUOXFPJ-UHFFFAOYSA-N -1 1 415.161 4.338 20 0 HIADMM Cc1occc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000507905125 916773264 /nfs/dbraw/zinc/77/32/64/916773264.db2.gz MULIPRDYCYSFHQ-UHFFFAOYSA-N -1 1 416.474 4.109 20 0 HIADMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccco1 ZINC000508018802 916855507 /nfs/dbraw/zinc/85/55/07/916855507.db2.gz YOITTWMVNOPCMG-CQSZACIVSA-N -1 1 423.865 4.227 20 0 HIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccncc3)c2)cc1 ZINC000508035211 916866368 /nfs/dbraw/zinc/86/63/68/916866368.db2.gz NKVMOBJEIOYLEG-MRXNPFEDSA-N -1 1 409.511 4.070 20 0 HIADMM Cc1cc(N2CCCCCC2)ccc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000508118368 916936277 /nfs/dbraw/zinc/93/62/77/916936277.db2.gz PGOMXAOZRXHNMZ-UHFFFAOYSA-N -1 1 424.364 4.334 20 0 HIADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000508216155 917033755 /nfs/dbraw/zinc/03/37/55/917033755.db2.gz RRKKUFPMELWNCF-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM O=C(CCc1nccs1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000508385417 917181254 /nfs/dbraw/zinc/18/12/54/917181254.db2.gz IAGIWWYFOMZNDM-UHFFFAOYSA-N -1 1 421.931 4.169 20 0 HIADMM CCC[C@H]1C[C@@H](C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000508611132 917381811 /nfs/dbraw/zinc/38/18/11/917381811.db2.gz ASBRUTXZJCUBDN-RDJZCZTQSA-N -1 1 420.506 4.160 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)c1csc2ccccc21)c1nc(-c2cccnc2)no1 ZINC000508764567 917519581 /nfs/dbraw/zinc/51/95/81/917519581.db2.gz MSBUKABIMMXCEE-KRWDZBQOSA-N -1 1 414.512 4.022 20 0 HIADMM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1coc(C2CCOCC2)n1 ZINC000509012354 917765935 /nfs/dbraw/zinc/76/59/35/917765935.db2.gz FOSDOGHYJDTOGQ-UHFFFAOYSA-N -1 1 406.394 4.391 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)c1 ZINC000509068933 917813923 /nfs/dbraw/zinc/81/39/23/917813923.db2.gz SCHRCJVDYISZTO-UHFFFAOYSA-N -1 1 424.547 4.412 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)c1 ZINC000509073405 917818433 /nfs/dbraw/zinc/81/84/33/917818433.db2.gz BCXWGISTCDEFQE-UHFFFAOYSA-N -1 1 414.508 4.101 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)cn2)n1 ZINC000509088356 917830463 /nfs/dbraw/zinc/83/04/63/917830463.db2.gz BMPJOXDWMKPLTC-UHFFFAOYSA-N -1 1 410.421 4.012 20 0 HIADMM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000509091897 917833173 /nfs/dbraw/zinc/83/31/73/917833173.db2.gz CWVMZPGBTGCSNT-GJZGRUSLSA-N -1 1 420.531 4.125 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)ccc2o1 ZINC000509198478 917903118 /nfs/dbraw/zinc/90/31/18/917903118.db2.gz SYMRMKHSYKELON-UHFFFAOYSA-N -1 1 400.378 4.102 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)C1 ZINC000509373398 918038545 /nfs/dbraw/zinc/03/85/45/918038545.db2.gz WGFWHGYCFQVTNF-MRXNPFEDSA-N -1 1 404.507 4.197 20 0 HIADMM O=C(CC(F)(F)F)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000509385419 918049912 /nfs/dbraw/zinc/04/99/12/918049912.db2.gz NVHQGPWGUBETBZ-UHFFFAOYSA-N -1 1 410.776 4.171 20 0 HIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1Cl ZINC000509544441 918192989 /nfs/dbraw/zinc/19/29/89/918192989.db2.gz XBRDVOLVLPVTHT-UHFFFAOYSA-N -1 1 401.246 4.490 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ncccn3)cc2C)cc1 ZINC000509558259 918209369 /nfs/dbraw/zinc/20/93/69/918209369.db2.gz RGVIOHWIDPPWET-UHFFFAOYSA-N -1 1 403.554 4.459 20 0 HIADMM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c(C)c1 ZINC000509560347 918211283 /nfs/dbraw/zinc/21/12/83/918211283.db2.gz SBVQYTAUKRLUKC-ZDUSSCGKSA-N -1 1 404.561 4.277 20 0 HIADMM CSc1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)OCCO2 ZINC000509578109 918226602 /nfs/dbraw/zinc/22/66/02/918226602.db2.gz PHTIQGYSUCHVBS-UHFFFAOYSA-N -1 1 423.409 4.138 20 0 HIADMM Cc1ccccc1[C@H]1CCCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509741929 918361252 /nfs/dbraw/zinc/36/12/52/918361252.db2.gz WZKSUDGYSWPTDF-OAQYLSRUSA-N -1 1 402.498 4.157 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1csc2ccccc21)c1nc(-c2cccc(F)c2)no1 ZINC000509887943 918489249 /nfs/dbraw/zinc/48/92/49/918489249.db2.gz TZFWXCPENVFDSW-NSHDSACASA-N -1 1 403.460 4.130 20 0 HIADMM Cc1nc(-c2cccc(NC(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)c2)cs1 ZINC000511009587 919574427 /nfs/dbraw/zinc/57/44/27/919574427.db2.gz GWSYYASFIQAMFX-UHFFFAOYSA-N -1 1 407.499 4.055 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1c(F)cncc1F ZINC000511019189 919587460 /nfs/dbraw/zinc/58/74/60/919587460.db2.gz VMEDSDONJPYUKC-ZETCQYMHSA-N -1 1 400.756 4.072 20 0 HIADMM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000511131156 919746266 /nfs/dbraw/zinc/74/62/66/919746266.db2.gz MXMRZVQNBYLDNZ-UHFFFAOYSA-N -1 1 412.433 4.179 20 0 HIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)cc1 ZINC000511239522 919842699 /nfs/dbraw/zinc/84/26/99/919842699.db2.gz FMZRPYOFPHDHSI-HNNXBMFYSA-N -1 1 412.511 4.178 20 0 HIADMM CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000511439217 920048505 /nfs/dbraw/zinc/04/85/05/920048505.db2.gz WRQIXJCRTGOCQV-UHFFFAOYSA-N -1 1 414.527 4.172 20 0 HIADMM Cc1ccc(Cl)cc1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000511488797 920097209 /nfs/dbraw/zinc/09/72/09/920097209.db2.gz HDAVKDXYYWOQGU-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)c(F)c2)c2ccccc12 ZINC000511684719 920347460 /nfs/dbraw/zinc/34/74/60/920347460.db2.gz XTBWDFKGJHNYRX-UHFFFAOYSA-N -1 1 419.474 4.204 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3coc4ccccc34)cc2)cc1 ZINC000511768687 920455540 /nfs/dbraw/zinc/45/55/40/920455540.db2.gz CTVIGLBCUKIMQY-UHFFFAOYSA-N -1 1 420.490 4.472 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC[C@@H]3C)cc2)cc1 ZINC000511808536 920504381 /nfs/dbraw/zinc/50/43/81/920504381.db2.gz PSJFDTIVHJTLSR-KRWDZBQOSA-N -1 1 416.543 4.291 20 0 HIADMM C[C@H]1CCCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000511813984 920510174 /nfs/dbraw/zinc/51/01/74/920510174.db2.gz NTVCNMZOQMJTTP-AWEZNQCLSA-N -1 1 408.470 4.170 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCC[C@@H]2C)cc1 ZINC000511814125 920510370 /nfs/dbraw/zinc/51/03/70/920510370.db2.gz OIQVEBZELXGPJI-INIZCTEOSA-N -1 1 404.507 4.340 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cc2sc3ccccc3c2s1 ZINC000511897545 920634986 /nfs/dbraw/zinc/63/49/86/920634986.db2.gz UKZGLSKYBCCAPF-UHFFFAOYSA-N -1 1 408.508 4.411 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000511905017 920643172 /nfs/dbraw/zinc/64/31/72/920643172.db2.gz HOBQRASOAVCXHG-UHFFFAOYSA-N -1 1 412.921 4.223 20 0 HIADMM Cc1ccc(-c2ccc(C(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)c(F)c2)cc1 ZINC000511905889 920643528 /nfs/dbraw/zinc/64/35/28/920643528.db2.gz LLEMBMVPDCTNTR-UHFFFAOYSA-N -1 1 404.445 4.096 20 0 HIADMM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512086657 920850454 /nfs/dbraw/zinc/85/04/54/920850454.db2.gz CGTAWTQVIFHWHP-CQSZACIVSA-N -1 1 421.526 4.247 20 0 HIADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(=Cc3cc(Cl)ccc3Cl)CC1)c2=O ZINC000512158233 920897140 /nfs/dbraw/zinc/89/71/40/920897140.db2.gz BSHLDEQOQHDHTI-UHFFFAOYSA-N -1 1 417.296 4.300 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(SC(C)C)cc2)c1 ZINC000512251162 921008669 /nfs/dbraw/zinc/00/86/69/921008669.db2.gz DUCVLJZKYRIBES-UHFFFAOYSA-N -1 1 422.572 4.176 20 0 HIADMM COc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000512349013 921093645 /nfs/dbraw/zinc/09/36/45/921093645.db2.gz YTIHTLYSIYVVKW-UHFFFAOYSA-N -1 1 413.433 4.274 20 0 HIADMM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513731415 922051816 /nfs/dbraw/zinc/05/18/16/922051816.db2.gz VWDRRUYUDDSXOF-FXAWDEMLSA-N -1 1 416.543 4.330 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)Nc1cccc(F)c1 ZINC000513850172 922171762 /nfs/dbraw/zinc/17/17/62/922171762.db2.gz OMEUENXFMKUKQN-UHFFFAOYSA-N -1 1 413.474 4.290 20 0 HIADMM CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000514804560 922806518 /nfs/dbraw/zinc/80/65/18/922806518.db2.gz CDOCOUBMAYYPSB-UHFFFAOYSA-N -1 1 420.534 4.126 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@H]1CCc2ccccc21 ZINC000514968304 922859322 /nfs/dbraw/zinc/85/93/22/922859322.db2.gz JDJTTXLSWYUDFP-QFIPXVFZSA-N -1 1 406.507 4.247 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C)cc1F ZINC000515629944 923229029 /nfs/dbraw/zinc/22/90/29/923229029.db2.gz QJOXRLQRSVYSGM-GASCZTMLSA-N -1 1 418.534 4.361 20 0 HIADMM CCc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)n1 ZINC000515629501 923230211 /nfs/dbraw/zinc/23/02/11/923230211.db2.gz GDRZVAJMNWZFBL-UHFFFAOYSA-N -1 1 423.416 4.231 20 0 HIADMM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)cc1C ZINC000515691020 923274799 /nfs/dbraw/zinc/27/47/99/923274799.db2.gz MWAOOJSQHDELLK-UHFFFAOYSA-N -1 1 424.522 4.389 20 0 HIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)cc1 ZINC000515692115 923276018 /nfs/dbraw/zinc/27/60/18/923276018.db2.gz SQLZZPJCODRWLD-UHFFFAOYSA-N -1 1 408.951 4.176 20 0 HIADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1F ZINC000515696879 923280493 /nfs/dbraw/zinc/28/04/93/923280493.db2.gz HGIMRTMOMVQJFM-UHFFFAOYSA-N -1 1 401.740 4.446 20 0 HIADMM Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)s1 ZINC000515733897 923311405 /nfs/dbraw/zinc/31/14/05/923311405.db2.gz YSJYGFALNZQCEC-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3c3ccc[nH]3)c2)c1 ZINC000515779549 923345372 /nfs/dbraw/zinc/34/53/72/923345372.db2.gz ZZONVGXEXWRGLN-OAQYLSRUSA-N -1 1 409.511 4.101 20 0 HIADMM O=C(CCc1ccc(F)cc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000515793331 923353379 /nfs/dbraw/zinc/35/33/79/923353379.db2.gz HPAIZCBVRQESTN-UHFFFAOYSA-N -1 1 416.449 4.337 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2)cc1Cl ZINC000515848111 923391515 /nfs/dbraw/zinc/39/15/15/923391515.db2.gz AUAJEXMWKNTWQE-UHFFFAOYSA-N -1 1 406.935 4.321 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2ccsc2)cc1 ZINC000515981733 923476123 /nfs/dbraw/zinc/47/61/23/923476123.db2.gz NRKUAUAMMOTDBD-MRXNPFEDSA-N -1 1 414.552 4.218 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000516022704 923507594 /nfs/dbraw/zinc/50/75/94/923507594.db2.gz XZUMCMFWWJWEDC-UHFFFAOYSA-N -1 1 409.813 4.185 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000516132053 923564961 /nfs/dbraw/zinc/56/49/61/923564961.db2.gz LSCPUKMJFDRETD-CQSZACIVSA-N -1 1 417.575 4.026 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)OCC(C)C)ccc2C)c1 ZINC000516146302 923574652 /nfs/dbraw/zinc/57/46/52/923574652.db2.gz IDPMQPRQOPSVSB-KRWDZBQOSA-N -1 1 404.532 4.104 20 0 HIADMM Cc1ccc(-c2nsc([N-]C(=O)c3ccc(CSc4nccn4C)o3)n2)s1 ZINC000516793542 923889834 /nfs/dbraw/zinc/88/98/34/923889834.db2.gz WQEFSXICINGJDO-UHFFFAOYSA-N -1 1 417.541 4.446 20 0 HIADMM O=C([N-]c1cc(F)cc(F)c1F)c1nccnc1C(=O)Nc1ccc(Cl)cc1 ZINC000516800130 923892173 /nfs/dbraw/zinc/89/21/73/923892173.db2.gz QBXRIBPTLBKMMX-UHFFFAOYSA-N -1 1 406.751 4.052 20 0 HIADMM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000517298575 924085955 /nfs/dbraw/zinc/08/59/55/924085955.db2.gz RHHGPNCJHICORG-UHFFFAOYSA-N -1 1 422.812 4.040 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)s1 ZINC000517388212 924151790 /nfs/dbraw/zinc/15/17/90/924151790.db2.gz DSHPFRRHLWDCDP-UHFFFAOYSA-N -1 1 422.478 4.066 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2-n2cccn2)cc1C ZINC000517520135 924242797 /nfs/dbraw/zinc/24/27/97/924242797.db2.gz WABUUCNOKDZEAZ-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(COc3ccccc3)no2)cc1 ZINC000517607016 926714277 /nfs/dbraw/zinc/71/42/77/926714277.db2.gz HPCBOCDVNFWRRF-UHFFFAOYSA-N -1 1 421.478 4.425 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cnn4ccccc34)ccc2C)c1 ZINC000517644012 926750820 /nfs/dbraw/zinc/75/08/20/926750820.db2.gz BEGZCZKHVGQSQB-UHFFFAOYSA-N -1 1 420.494 4.004 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C)c3)c2)cc1 ZINC000517688768 926793508 /nfs/dbraw/zinc/79/35/08/926793508.db2.gz BXBRFNUUBWUONM-UHFFFAOYSA-N -1 1 410.495 4.333 20 0 HIADMM Cn1cc(-c2nc(C(=O)[N-]c3nnc(SCc4cccs4)s3)cs2)cn1 ZINC000517946298 926898464 /nfs/dbraw/zinc/89/84/64/926898464.db2.gz KGULRIXPHVTMEV-UHFFFAOYSA-N -1 1 420.570 4.001 20 0 HIADMM CSC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1 ZINC000518148934 927047833 /nfs/dbraw/zinc/04/78/33/927047833.db2.gz WNNGNYYINUVJPE-QGZVFWFLSA-N -1 1 418.584 4.011 20 0 HIADMM Cc1cc(-c2csc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c(C)o1 ZINC000518207901 927081141 /nfs/dbraw/zinc/08/11/41/927081141.db2.gz ZASHSIYCYCQKMQ-UHFFFAOYSA-N -1 1 421.482 4.067 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCC3)cc1)c1cccc(C(F)(F)F)c1 ZINC000518242604 927104474 /nfs/dbraw/zinc/10/44/74/927104474.db2.gz DLEYAMYTBICVMF-UHFFFAOYSA-N -1 1 422.432 4.101 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c(C(F)(F)F)c1 ZINC000518436304 927270065 /nfs/dbraw/zinc/27/00/65/927270065.db2.gz FAIIMRUJYMALGR-SECBINFHSA-N -1 1 421.824 4.492 20 0 HIADMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000518667149 927417764 /nfs/dbraw/zinc/41/77/64/927417764.db2.gz ULAVHLVPBMVKFT-IBGZPJMESA-N -1 1 407.413 4.180 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cn3c(n2)CCCC3)cc1)c1cccc2cnccc21 ZINC000518673149 927420635 /nfs/dbraw/zinc/42/06/35/927420635.db2.gz PSPOJVSDZCWPJH-UHFFFAOYSA-N -1 1 404.495 4.235 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1c1cccnc1 ZINC000519013352 927692798 /nfs/dbraw/zinc/69/27/98/927692798.db2.gz XRVRVSIXPRFAIN-OAQYLSRUSA-N -1 1 421.522 4.106 20 0 HIADMM Cc1ccc2oc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)cc2n1 ZINC000519107188 927776151 /nfs/dbraw/zinc/77/61/51/927776151.db2.gz WRJONEORHVPNLH-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000519123201 927789926 /nfs/dbraw/zinc/78/99/26/927789926.db2.gz HTNRISWLVBCPSP-HNNXBMFYSA-N -1 1 406.935 4.464 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)ccc1Br ZINC000519123238 927791022 /nfs/dbraw/zinc/79/10/22/927791022.db2.gz MQYFBVAROHVWDB-UHFFFAOYSA-N -1 1 424.238 4.499 20 0 HIADMM Cc1ccccc1C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000519157892 927806043 /nfs/dbraw/zinc/80/60/43/927806043.db2.gz NTSQAFRPBWJUTI-SFHVURJKSA-N -1 1 408.523 4.157 20 0 HIADMM C[C@H]1CN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000519188129 927818023 /nfs/dbraw/zinc/81/80/23/927818023.db2.gz DFROMYBLVSMSGO-KRWDZBQOSA-N -1 1 421.522 4.321 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3Cc4ccccc4C3)cc2)cc1 ZINC000519277353 927860959 /nfs/dbraw/zinc/86/09/59/927860959.db2.gz ZQBHBEZXJLNNPD-UHFFFAOYSA-N -1 1 422.506 4.042 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3ccccn3)c2)cc1 ZINC000519349628 927892976 /nfs/dbraw/zinc/89/29/76/927892976.db2.gz LTHSRKKNCLDZOL-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM COc1ccccc1[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000519396435 927919869 /nfs/dbraw/zinc/91/98/69/927919869.db2.gz IKBRNYIRHLTKBK-NRFANRHFSA-N -1 1 423.538 4.060 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2N(C)Cc2ccccc2)c(=O)[n-]1 ZINC000519397247 927921699 /nfs/dbraw/zinc/92/16/99/927921699.db2.gz ZHBFVZKLSHVDNA-UHFFFAOYSA-N -1 1 422.554 4.420 20 0 HIADMM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000519397978 927921749 /nfs/dbraw/zinc/92/17/49/927921749.db2.gz MBAOMBMAPOQISI-UHFFFAOYSA-N -1 1 418.490 4.116 20 0 HIADMM O=S(=O)([N-]c1cccc(F)c1Cl)c1cc(F)c(Br)cc1F ZINC000519559675 928016365 /nfs/dbraw/zinc/01/63/65/928016365.db2.gz KSMNDNQSHRFIIT-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)ccc2N1CC1CC1 ZINC000519840543 928090196 /nfs/dbraw/zinc/09/01/96/928090196.db2.gz IUUBJXKEFDTPGO-UHFFFAOYSA-N -1 1 406.454 4.114 20 0 HIADMM Cc1ccc(NC(=O)[C@@H](C)OCCC(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000519976918 928202383 /nfs/dbraw/zinc/20/23/83/928202383.db2.gz PROZJBQZDVRNGZ-QGZVFWFLSA-N -1 1 404.532 4.186 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c2cccnc12 ZINC000520038013 928260804 /nfs/dbraw/zinc/26/08/04/928260804.db2.gz VWCKEOSYTQFJBQ-UHFFFAOYSA-N -1 1 400.353 4.202 20 0 HIADMM O=C(CC[C@@H]1CCCCO1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000520333105 928498156 /nfs/dbraw/zinc/49/81/56/928498156.db2.gz DUNJYCPOTAYWKN-SFHVURJKSA-N -1 1 422.934 4.429 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(CC)CC3)c2)cc1 ZINC000520349707 928511679 /nfs/dbraw/zinc/51/16/79/928511679.db2.gz LXQQJPZXYLDADT-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CC[C@@H]1CCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000520375736 928529677 /nfs/dbraw/zinc/52/96/77/928529677.db2.gz DIOBWGWYHFHYGY-GOSISDBHSA-N -1 1 406.935 4.464 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000520465539 928583003 /nfs/dbraw/zinc/58/30/03/928583003.db2.gz QRJVMMCHKFBDAH-UHFFFAOYSA-N -1 1 402.516 4.412 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1 ZINC000520700060 928746959 /nfs/dbraw/zinc/74/69/59/928746959.db2.gz ZRNQDPRQZGOJPZ-KRWDZBQOSA-N -1 1 400.544 4.373 20 0 HIADMM Cc1ncccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000520807477 928827553 /nfs/dbraw/zinc/82/75/53/928827553.db2.gz HHXWVNSFGPFOBF-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)c3ccccn3)cc2)cc1C ZINC000520941173 928883927 /nfs/dbraw/zinc/88/39/27/928883927.db2.gz XTUQZVDZEXXOLA-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000520953242 928887505 /nfs/dbraw/zinc/88/75/05/928887505.db2.gz WWMHOVNCGWYRME-FQEVSTJZSA-N -1 1 408.546 4.244 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000520966437 928893177 /nfs/dbraw/zinc/89/31/77/928893177.db2.gz LNEMAFBSPVFUSG-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CCC[C@@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000520985524 928903872 /nfs/dbraw/zinc/90/38/72/928903872.db2.gz IDRNFCWQFGUIHN-QGZVFWFLSA-N -1 1 404.532 4.195 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000521495204 929252491 /nfs/dbraw/zinc/25/24/91/929252491.db2.gz PFBDUYNBLJODLZ-JOCHJYFZSA-N -1 1 420.488 4.282 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](C)CC3)cc2)cc1 ZINC000521740633 929400808 /nfs/dbraw/zinc/40/08/08/929400808.db2.gz AMJCMVMINZZIDE-QGZVFWFLSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000521756715 929418874 /nfs/dbraw/zinc/41/88/74/929418874.db2.gz DWHGVUVQJUXNRU-HXUWFJFHSA-N -1 1 402.498 4.024 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N([C@H](C)C(C)C)C3CC3)cc2)cc1 ZINC000521802911 929461543 /nfs/dbraw/zinc/46/15/43/929461543.db2.gz KAVWHEPLPYRDRP-QGZVFWFLSA-N -1 1 400.544 4.445 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)Cc3cccs3)c2)c1 ZINC000524483949 929632518 /nfs/dbraw/zinc/63/25/18/929632518.db2.gz YGBAUFNOVKAYCG-MRXNPFEDSA-N -1 1 414.552 4.218 20 0 HIADMM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000524655162 929768360 /nfs/dbraw/zinc/76/83/60/929768360.db2.gz YHVOICRNBNGPCE-NRFANRHFSA-N -1 1 402.498 4.157 20 0 HIADMM CC[C@H]1CCCCCN1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000524800348 929834180 /nfs/dbraw/zinc/83/41/80/929834180.db2.gz OKAYGNVIXJEQGF-IBGZPJMESA-N -1 1 415.559 4.352 20 0 HIADMM COc1cc(NC(=O)c2ccccc2SCC=C(C)C)ccc1[N-]S(C)(=O)=O ZINC000524957377 929919974 /nfs/dbraw/zinc/91/99/74/929919974.db2.gz OKSHKGPMLUKBDO-UHFFFAOYSA-N -1 1 420.556 4.377 20 0 HIADMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1C ZINC000525017113 929977022 /nfs/dbraw/zinc/97/70/22/929977022.db2.gz GIMBCYPHVFYWQG-UHFFFAOYSA-N -1 1 413.478 4.003 20 0 HIADMM CC1(C)CCCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000525088954 930027864 /nfs/dbraw/zinc/02/78/64/930027864.db2.gz MQJHVMSLVZVQSS-UHFFFAOYSA-N -1 1 418.534 4.208 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000525100542 930034936 /nfs/dbraw/zinc/03/49/36/930034936.db2.gz DZYSUSMYAZYQCT-REWPJTCUSA-N -1 1 420.534 4.157 20 0 HIADMM C[C@H]1CCC[C@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000525102442 930036362 /nfs/dbraw/zinc/03/63/62/930036362.db2.gz PKEZHRNFHXHIMI-HOTGVXAUSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)[C@@H]3C)ccc2C)cc1 ZINC000525107741 930040772 /nfs/dbraw/zinc/04/07/72/930040772.db2.gz LRFXJEFVFXCOAO-AEFFLSMTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3C(C)(C)C)cc2)cc1 ZINC000525200572 930084303 /nfs/dbraw/zinc/08/43/03/930084303.db2.gz FARIMTMUEKUXAV-HXUWFJFHSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(C2CC2)C2CC2)cc1 ZINC000525218487 930090623 /nfs/dbraw/zinc/09/06/23/930090623.db2.gz RJTFOMBQKAVODK-UHFFFAOYSA-N -1 1 416.518 4.101 20 0 HIADMM CC(C)(C)OC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000525228788 930094768 /nfs/dbraw/zinc/09/47/68/930094768.db2.gz CSGLOOQPQAFCHN-UHFFFAOYSA-N -1 1 415.433 4.390 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000525389714 930213275 /nfs/dbraw/zinc/21/32/75/930213275.db2.gz APMLOVSTGFOUQW-ZFWWWQNUSA-N -1 1 406.935 4.320 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C(C)C)C2CCC2)cc1 ZINC000525395756 930216489 /nfs/dbraw/zinc/21/64/89/930216489.db2.gz FHCMYPUMUVBXCK-UHFFFAOYSA-N -1 1 404.507 4.338 20 0 HIADMM COc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)ccc1[N-]S(C)(=O)=O ZINC000525411347 930224975 /nfs/dbraw/zinc/22/49/75/930224975.db2.gz UJUIKHGNVYVOFS-QGZVFWFLSA-N -1 1 423.922 4.089 20 0 HIADMM CC[C@@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)c1ccc(Cl)s1 ZINC000525417191 930228637 /nfs/dbraw/zinc/22/86/37/930228637.db2.gz XUJNWCYVLMGTCZ-LLVKDONJSA-N -1 1 417.940 4.054 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(N3CCCC3)sc2c1)c1ccc2ncccc2c1 ZINC000525532094 930306626 /nfs/dbraw/zinc/30/66/26/930306626.db2.gz ZHPXXXHESOJQQT-UHFFFAOYSA-N -1 1 410.524 4.246 20 0 HIADMM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3C)cn2)cc1 ZINC000525535679 930309040 /nfs/dbraw/zinc/30/90/40/930309040.db2.gz KNHCIUFAARTMTL-UHFFFAOYSA-N -1 1 400.456 4.000 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](C)[C@@H]3C)c2)cc1 ZINC000525621551 930367549 /nfs/dbraw/zinc/36/75/49/930367549.db2.gz WLNAAUSKHQBIDN-SJORKVTESA-N -1 1 416.543 4.147 20 0 HIADMM O=C(NCC(C1CC1)C1CC1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000525774149 930439707 /nfs/dbraw/zinc/43/97/07/930439707.db2.gz SMVHOEKUAXVDAJ-UHFFFAOYSA-N -1 1 400.425 4.089 20 0 HIADMM Cc1cc(C(=O)Nc2cc(Cl)ccc2SC(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530577546 930756974 /nfs/dbraw/zinc/75/69/74/930756974.db2.gz LMWNLOOGINZUFS-UHFFFAOYSA-N -1 1 404.879 4.151 20 0 HIADMM Cc1occc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000530635764 930781388 /nfs/dbraw/zinc/78/13/88/930781388.db2.gz APPKSSWZBNNKAO-UHFFFAOYSA-N -1 1 406.847 4.000 20 0 HIADMM COc1cc(S(=O)(=O)Nc2ccc3oc(C(C)C)nc3c2)c(Cl)cc1C(=O)[O-] ZINC000530668087 930792106 /nfs/dbraw/zinc/79/21/06/930792106.db2.gz ISZMSSRELJGTLA-UHFFFAOYSA-N -1 1 424.862 4.112 20 0 HIADMM O=S(=O)([N-]CC1(c2cccc(Cl)c2)CCOCC1)c1cc2ccccc2o1 ZINC000530770363 930820150 /nfs/dbraw/zinc/82/01/50/930820150.db2.gz IFWMBYKWRSXQQK-UHFFFAOYSA-N -1 1 405.903 4.113 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000530860631 930842105 /nfs/dbraw/zinc/84/21/05/930842105.db2.gz KAOAAXPBXLMSHS-UHFFFAOYSA-N -1 1 411.531 4.250 20 0 HIADMM Cc1ccc(NC(=O)c2cc3ccccn3c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000531050667 930898381 /nfs/dbraw/zinc/89/83/81/930898381.db2.gz BHHVUNXKJMVZIY-UHFFFAOYSA-N -1 1 405.479 4.301 20 0 HIADMM O=C(Nc1cc(F)ccc1O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000531373646 931035723 /nfs/dbraw/zinc/03/57/23/931035723.db2.gz KPKJHVBXESTHOZ-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM O=C(CCc1ccoc1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000531476759 931071454 /nfs/dbraw/zinc/07/14/54/931071454.db2.gz YAEBSWCLWDEKRL-UHFFFAOYSA-N -1 1 420.874 4.011 20 0 HIADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2C1=O ZINC000531600464 931117753 /nfs/dbraw/zinc/11/77/53/931117753.db2.gz JOQDSPUHVLQDOW-UHFFFAOYSA-N -1 1 406.463 4.015 20 0 HIADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccccc3N3CCCCCC3)ccc2NC1=O ZINC000531603911 931119157 /nfs/dbraw/zinc/11/91/57/931119157.db2.gz ZSTIJERIJMIYJN-UHFFFAOYSA-N -1 1 413.543 4.098 20 0 HIADMM Cc1ccc(NC(=O)CC2CCSCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000531624463 931131672 /nfs/dbraw/zinc/13/16/72/931131672.db2.gz MQYMTKOPFJGNQQ-UHFFFAOYSA-N -1 1 404.557 4.268 20 0 HIADMM O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccco1)c1ccc([O-])cc1 ZINC000531762247 931187179 /nfs/dbraw/zinc/18/71/79/931187179.db2.gz CLMULLNIWPZVNC-UHFFFAOYSA-N -1 1 409.442 4.406 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)cc1 ZINC000531781495 931194358 /nfs/dbraw/zinc/19/43/58/931194358.db2.gz LCLGVFBVYTULCD-UHFFFAOYSA-N -1 1 417.712 4.252 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc4oc(C(C)C)nc4c3)cc2F)c1 ZINC000531809272 931205147 /nfs/dbraw/zinc/20/51/47/931205147.db2.gz WMYBOXPJZLUSPY-UHFFFAOYSA-N -1 1 414.462 4.385 20 0 HIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1Cl ZINC000532287428 931385071 /nfs/dbraw/zinc/38/50/71/931385071.db2.gz HLWFLKSZECSKQW-UHFFFAOYSA-N -1 1 415.298 4.033 20 0 HIADMM Cc1ccc(C(=O)NC2(C3CC3)CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000532377321 931414969 /nfs/dbraw/zinc/41/49/69/931414969.db2.gz YELVKFXXTWZQHG-UHFFFAOYSA-N -1 1 404.919 4.122 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)cc21 ZINC000532764149 931625826 /nfs/dbraw/zinc/62/58/26/931625826.db2.gz LSZCODASXXZZQA-UHFFFAOYSA-N -1 1 406.507 4.454 20 0 HIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)c2C)o1 ZINC000532768423 931626949 /nfs/dbraw/zinc/62/69/49/931626949.db2.gz WRSKWVMJLJQKDA-UHFFFAOYSA-N -1 1 417.821 4.342 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(CC(C)C)C2CC2)c1 ZINC000532900812 931685341 /nfs/dbraw/zinc/68/53/41/931685341.db2.gz JZSFOOZUSHSOOU-UHFFFAOYSA-N -1 1 404.507 4.196 20 0 HIADMM O=C(Nc1cncc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000534022519 932203496 /nfs/dbraw/zinc/20/34/96/932203496.db2.gz BIFUIZXLZHUIBM-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCC(F)(F)CC3)cc2)c1C ZINC000534205893 932330922 /nfs/dbraw/zinc/33/09/22/932330922.db2.gz FZWDKZDGRUFATO-UHFFFAOYSA-N -1 1 422.497 4.412 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCC(F)(F)CC3)cc2)cc1C ZINC000534207269 932331886 /nfs/dbraw/zinc/33/18/86/932331886.db2.gz LLHSRGBXCWCKDE-UHFFFAOYSA-N -1 1 422.497 4.412 20 0 HIADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccccc3NC3CCCCC3)ccc2NC1=O ZINC000534289461 932376339 /nfs/dbraw/zinc/37/63/39/932376339.db2.gz DYJMEUPGSBKQBJ-UHFFFAOYSA-N -1 1 413.543 4.462 20 0 HIADMM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000534311034 932380008 /nfs/dbraw/zinc/38/00/08/932380008.db2.gz MVRROVHYYRUUQX-QMMMGPOBSA-N -1 1 412.733 4.213 20 0 HIADMM O=C([N-]c1nnc(SCc2ccccc2)s1)c1csc([C@H]2CCCO2)n1 ZINC000534388113 932413149 /nfs/dbraw/zinc/41/31/49/932413149.db2.gz GZWFLUSLLYJFKG-CYBMUJFWSA-N -1 1 404.542 4.391 20 0 HIADMM CC1=CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000534461243 932477808 /nfs/dbraw/zinc/47/78/08/932477808.db2.gz YIXOBYVPXZWXEZ-UHFFFAOYSA-N -1 1 424.444 4.298 20 0 HIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1csc([C@@H]2CCCO2)n1 ZINC000534469592 932493584 /nfs/dbraw/zinc/49/35/84/932493584.db2.gz PPHMRKQVQJLQDN-NSHDSACASA-N -1 1 410.571 4.452 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2c1CN(c1nccs1)C2 ZINC000534615705 932598682 /nfs/dbraw/zinc/59/86/82/932598682.db2.gz LYMZMZHPDBOEBD-UHFFFAOYSA-N -1 1 405.932 4.426 20 0 HIADMM Cc1ccc(C(=O)Nc2cccc(O)c2F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000534944323 932851287 /nfs/dbraw/zinc/85/12/87/932851287.db2.gz CSWSBBIHIILUPT-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(CO)ccc3C)cc2)cc1C ZINC000534962523 932862319 /nfs/dbraw/zinc/86/23/19/932862319.db2.gz ZCFMYBONJGACQM-UHFFFAOYSA-N -1 1 424.522 4.157 20 0 HIADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000534978781 932873147 /nfs/dbraw/zinc/87/31/47/932873147.db2.gz MPOLTTBFCNMYJD-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM CC1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CCC1 ZINC000535134643 932953861 /nfs/dbraw/zinc/95/38/61/932953861.db2.gz PWCCUMXVHIEHLH-UHFFFAOYSA-N -1 1 413.326 4.467 20 0 HIADMM Cc1cc([C@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C2CC2)ccc1F ZINC000535490919 933179517 /nfs/dbraw/zinc/17/95/17/933179517.db2.gz OJKPASBFPBOTMT-JOCHJYFZSA-N -1 1 420.488 4.200 20 0 HIADMM CN1CC[C@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535691786 933346862 /nfs/dbraw/zinc/34/68/62/933346862.db2.gz MEPGGKUSRIHSCR-QRWLVFNGSA-N -1 1 410.917 4.013 20 0 HIADMM O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Br)c([O-])c1 ZINC000535719626 933367442 /nfs/dbraw/zinc/36/74/42/933367442.db2.gz LDYPVESUBBTLKW-GXTWGEPZSA-N -1 1 411.093 4.203 20 0 HIADMM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000536086686 933633272 /nfs/dbraw/zinc/63/32/72/933633272.db2.gz BXSRFMSEWONZBM-NSHDSACASA-N -1 1 405.825 4.299 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000537712020 938361898 /nfs/dbraw/zinc/36/18/98/938361898.db2.gz VRZNTAIVFWLDGL-UHFFFAOYSA-N -1 1 412.342 4.371 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)CCCC(F)(F)F ZINC000537747210 938368358 /nfs/dbraw/zinc/36/83/58/938368358.db2.gz AIIDLEDMPNTODE-UHFFFAOYSA-N -1 1 414.449 4.178 20 0 HIADMM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000537870955 938395337 /nfs/dbraw/zinc/39/53/37/938395337.db2.gz QWGHYLZXOQTFOP-XPTSAGLGSA-N -1 1 410.344 4.118 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3[C@H](C)CC[C@H]3CC)c2)cc1 ZINC000537920058 938413776 /nfs/dbraw/zinc/41/37/76/938413776.db2.gz GMIUCIIVUVXQMK-VQIMIIECSA-N -1 1 416.543 4.289 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)n[nH]c1-c1ccccc1 ZINC000538010805 938461345 /nfs/dbraw/zinc/46/13/45/938461345.db2.gz WCNYQNKFBKERLK-UHFFFAOYSA-N -1 1 411.405 4.127 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000538052086 938484562 /nfs/dbraw/zinc/48/45/62/938484562.db2.gz PQEDPPRIMHYEHL-ZIAGYGMSSA-N -1 1 417.289 4.246 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000538052529 938485602 /nfs/dbraw/zinc/48/56/02/938485602.db2.gz UPHXHUNZJSVRGA-NWDGAFQWSA-N -1 1 417.289 4.246 20 0 HIADMM Cc1cccc(NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1F ZINC000538325665 938593489 /nfs/dbraw/zinc/59/34/89/938593489.db2.gz FLSHCASCDYBIGK-UHFFFAOYSA-N -1 1 413.474 4.257 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)cc2)CC1 ZINC000538447585 938624374 /nfs/dbraw/zinc/62/43/74/938624374.db2.gz AVXDICPEWUSVSJ-UHFFFAOYSA-N -1 1 407.491 4.359 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(SC)c(Cl)c3)cc2)CC1 ZINC000538448015 938624387 /nfs/dbraw/zinc/62/43/87/938624387.db2.gz IKXZTEFDYDHIOX-UHFFFAOYSA-N -1 1 411.932 4.067 20 0 HIADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccccc3Cc3ccccc3)cc2)CC1 ZINC000538451187 938625833 /nfs/dbraw/zinc/62/58/33/938625833.db2.gz ICYKMJGJTNCVBK-UHFFFAOYSA-N -1 1 421.518 4.283 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000538495090 938634730 /nfs/dbraw/zinc/63/47/30/938634730.db2.gz KVETZZBZYICIQG-UHFFFAOYSA-N -1 1 412.317 4.042 20 0 HIADMM C[C@@H]1CC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C[C@@H](C)O1 ZINC000538747186 938700371 /nfs/dbraw/zinc/70/03/71/938700371.db2.gz ITAOHQCGEAILTR-ZIAGYGMSSA-N -1 1 422.934 4.283 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)cc1 ZINC000539117160 938805235 /nfs/dbraw/zinc/80/52/35/938805235.db2.gz QSITYTGBQUKHRG-UHFFFAOYSA-N -1 1 410.495 4.049 20 0 HIADMM CCc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)o2)cc1 ZINC000539150807 938811661 /nfs/dbraw/zinc/81/16/61/938811661.db2.gz YHTSSBYZNWWAHJ-UHFFFAOYSA-N -1 1 402.447 4.272 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@H]2C(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000539449772 938862557 /nfs/dbraw/zinc/86/25/57/938862557.db2.gz WVCIZQSCJLIELG-SFHVURJKSA-N -1 1 406.935 4.320 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)oc2c1)c1ccc2c(c1)CCCO2 ZINC000539597899 938885902 /nfs/dbraw/zinc/88/59/02/938885902.db2.gz VSJZYCLUVDLVAJ-UHFFFAOYSA-N -1 1 407.451 4.016 20 0 HIADMM CC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)Cc2ccccc2C1 ZINC000539914774 938977510 /nfs/dbraw/zinc/97/75/10/938977510.db2.gz JYEWPELVZDIGCK-UHFFFAOYSA-N -1 1 420.534 4.022 20 0 HIADMM CC[C@H](CSC)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000540236940 939158372 /nfs/dbraw/zinc/15/83/72/939158372.db2.gz OYTMDGNQKYKKGR-GOSISDBHSA-N -1 1 406.573 4.009 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000540248192 939166500 /nfs/dbraw/zinc/16/65/00/939166500.db2.gz NQNWSUMYTDRRAK-UHFFFAOYSA-N -1 1 419.865 4.165 20 0 HIADMM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)cc4[N-]S(C)(=O)=O)cc3c2C1 ZINC000540251403 939168990 /nfs/dbraw/zinc/16/89/90/939168990.db2.gz BIOXGHARSRHKEV-LBPRGKRZSA-N -1 1 415.490 4.056 20 0 HIADMM Cc1nc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4cccc(C)c4C)cc3)n2)co1 ZINC000563650967 945235886 /nfs/dbraw/zinc/23/58/86/945235886.db2.gz NFLFXDFCNSAZJA-UHFFFAOYSA-N -1 1 410.455 4.118 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@H](Nc2ccccc2)C1 ZINC000563654056 945237432 /nfs/dbraw/zinc/23/74/32/945237432.db2.gz BOPXKHKJIXMTKM-AWEZNQCLSA-N -1 1 412.287 4.030 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCO[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000540706539 939344358 /nfs/dbraw/zinc/34/43/58/939344358.db2.gz VHBRDVHGMBWXII-CABCVRRESA-N -1 1 422.934 4.203 20 0 HIADMM O=C(NC/C=C\c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000540887237 939410233 /nfs/dbraw/zinc/41/02/33/939410233.db2.gz ZVOBAGQEUVOMEL-DAXSKMNVSA-N -1 1 410.470 4.070 20 0 HIADMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1nccnc1Sc1ccccc1 ZINC000541284417 939489278 /nfs/dbraw/zinc/48/92/78/939489278.db2.gz BGOWWKZZLNZEAC-UHFFFAOYSA-N -1 1 423.498 4.462 20 0 HIADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cccc(F)c3)c(F)c2)c1 ZINC000541285784 939489321 /nfs/dbraw/zinc/48/93/21/939489321.db2.gz DWVQITDEDFACSR-UHFFFAOYSA-N -1 1 416.449 4.134 20 0 HIADMM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cccc(OC(F)(F)F)c1 ZINC000541304199 939490227 /nfs/dbraw/zinc/49/02/27/939490227.db2.gz PTDVBYMQMSVTSK-UHFFFAOYSA-N -1 1 416.352 4.321 20 0 HIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)c2)o1 ZINC000541305879 939490330 /nfs/dbraw/zinc/49/03/30/939490330.db2.gz BKZNNHKMELTVNH-UHFFFAOYSA-N -1 1 413.430 4.386 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2C)c(C)c1C ZINC000541305958 939490349 /nfs/dbraw/zinc/49/03/49/939490349.db2.gz CINWBDIWYZMFBA-UHFFFAOYSA-N -1 1 413.499 4.349 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2C)c(C)c1 ZINC000541307367 939490402 /nfs/dbraw/zinc/49/04/02/939490402.db2.gz YYZWPBYKLSJZJP-UHFFFAOYSA-N -1 1 413.499 4.430 20 0 HIADMM O=C(Nc1nccc2sccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000541561481 939555794 /nfs/dbraw/zinc/55/57/94/939555794.db2.gz KRFICIAMBCVIPD-UHFFFAOYSA-N -1 1 409.492 4.349 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000541792397 939632293 /nfs/dbraw/zinc/63/22/93/939632293.db2.gz AQSZGJFGCCANEC-UHFFFAOYSA-N -1 1 408.495 4.290 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000541807502 939639270 /nfs/dbraw/zinc/63/92/70/939639270.db2.gz PGXAEXLDGDHBRW-UHFFFAOYSA-N -1 1 416.543 4.085 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)ccc1OC1CCOCC1 ZINC000542006188 939682027 /nfs/dbraw/zinc/68/20/27/939682027.db2.gz YMEGQSNCQDHOLX-UHFFFAOYSA-N -1 1 414.483 4.009 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000542060453 939701509 /nfs/dbraw/zinc/70/15/09/939701509.db2.gz GAZDLAXZNKDANH-IPHXSNPTSA-N -1 1 416.518 4.277 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1C(F)(F)F ZINC000542729678 939857481 /nfs/dbraw/zinc/85/74/81/939857481.db2.gz QOVXYJDFJXYQBH-UHFFFAOYSA-N -1 1 424.444 4.040 20 0 HIADMM Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000543135836 939964786 /nfs/dbraw/zinc/96/47/86/939964786.db2.gz XITUWSWDJNIFEC-UHFFFAOYSA-N -1 1 419.528 4.041 20 0 HIADMM CCc1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)co1 ZINC000543417452 940058509 /nfs/dbraw/zinc/05/85/09/940058509.db2.gz XTPRINQZCKUHHX-UHFFFAOYSA-N -1 1 419.890 4.252 20 0 HIADMM Cc1ccc(NC(=O)c2ccc3c(c2)N(C)CC3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000543442939 940064986 /nfs/dbraw/zinc/06/49/86/940064986.db2.gz KUMBCGGFXTYOMV-UHFFFAOYSA-N -1 1 421.522 4.040 20 0 HIADMM CCC(C)(C)OCc1ccccc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000543603594 940127923 /nfs/dbraw/zinc/12/79/23/940127923.db2.gz WACZAIODFAXPRD-UHFFFAOYSA-N -1 1 420.513 4.439 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)CSc2nc(-c3ccccc3)no2)c1 ZINC000543605035 940128787 /nfs/dbraw/zinc/12/87/87/940128787.db2.gz IDBAGBXAFLBZFE-UHFFFAOYSA-N -1 1 420.288 4.244 20 0 HIADMM Cc1nn2cc(S(=O)(=O)[N-]c3cccc(C(F)F)c3Cl)cnc2c1Cl ZINC000543663382 940154118 /nfs/dbraw/zinc/15/41/18/940154118.db2.gz LTQVDHMMPPGRNG-UHFFFAOYSA-N -1 1 407.229 4.083 20 0 HIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000543663831 940154262 /nfs/dbraw/zinc/15/42/62/940154262.db2.gz SLULYHQDSXTFKS-UHFFFAOYSA-N -1 1 400.500 4.034 20 0 HIADMM COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000543745349 940173965 /nfs/dbraw/zinc/17/39/65/940173965.db2.gz HGLUBQFKAUJCHN-UHFFFAOYSA-N -1 1 412.667 4.418 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)c(=O)[n-]1 ZINC000543790940 940187850 /nfs/dbraw/zinc/18/78/50/940187850.db2.gz SGFYQECHWMDWID-KRWDZBQOSA-N -1 1 411.930 4.451 20 0 HIADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)C2)C1 ZINC000543832355 940202704 /nfs/dbraw/zinc/20/27/04/940202704.db2.gz JNMFNNCWCSNVAY-KSFYIVLOSA-N -1 1 416.518 4.279 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCCCS3)ccc2C)c1 ZINC000544018216 940300837 /nfs/dbraw/zinc/30/08/37/940300837.db2.gz ISPAAHXMRCQGOT-SFHVURJKSA-N -1 1 404.557 4.328 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(Cc4ccc(C)nc4)no3)cc2)cc1 ZINC000544224450 940359864 /nfs/dbraw/zinc/35/98/64/940359864.db2.gz IXONNJLFBNGCNM-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM Cc1cccc([C@@H]2CCN(C(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)C2)c1 ZINC000544287497 940380421 /nfs/dbraw/zinc/38/04/21/940380421.db2.gz ZSJGTHMDGICOSM-OAQYLSRUSA-N -1 1 420.534 4.426 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(C)(C)C)C2)cc1 ZINC000544298162 940383087 /nfs/dbraw/zinc/38/30/87/940383087.db2.gz WIZREGBAVPTJRA-SFHVURJKSA-N -1 1 400.544 4.304 20 0 HIADMM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)cn1 ZINC000544646276 940497899 /nfs/dbraw/zinc/49/78/99/940497899.db2.gz KKTXQHRUQZJOPQ-UHFFFAOYSA-N -1 1 413.833 4.273 20 0 HIADMM Cc1ccc(C(C)(C)NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cn1 ZINC000544890165 940522193 /nfs/dbraw/zinc/52/21/93/940522193.db2.gz MOIAUBBJABGVMP-UHFFFAOYSA-N -1 1 424.526 4.248 20 0 HIADMM O=C(Nc1scnc1-c1ccccc1)c1ccc(I)c([O-])c1 ZINC000544895053 940522680 /nfs/dbraw/zinc/52/26/80/940522680.db2.gz DUVHUWGYLCHZIC-UHFFFAOYSA-N -1 1 422.247 4.373 20 0 HIADMM Cc1ccnc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccc(F)c(C)c4)cc3)n2)c1 ZINC000544983215 940530718 /nfs/dbraw/zinc/53/07/18/940530718.db2.gz POOUDQJHNHWCDX-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM C[C@H](c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1)c1ccncc1 ZINC000545093084 940541870 /nfs/dbraw/zinc/54/18/70/940541870.db2.gz XTXJJMVTXAGVCQ-AWEZNQCLSA-N -1 1 424.457 4.223 20 0 HIADMM CCOc1cc(C(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)cc(Cl)c1[O-] ZINC000545137101 940548032 /nfs/dbraw/zinc/54/80/32/940548032.db2.gz VWXGWYYJJKUFDD-ZDUSSCGKSA-N -1 1 407.894 4.070 20 0 HIADMM CCOc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc(Cl)c1[O-] ZINC000545138681 940548425 /nfs/dbraw/zinc/54/84/25/940548425.db2.gz CCQJCKIUTPPEMK-GFCCVEGCSA-N -1 1 413.276 4.246 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(Br)c(OC)c2)cc(Cl)c1[O-] ZINC000545149888 940551417 /nfs/dbraw/zinc/55/14/17/940551417.db2.gz VSMJODGCZUIDHI-UHFFFAOYSA-N -1 1 400.656 4.468 20 0 HIADMM O=C(Nc1ccccc1N1CCCCC1)c1ccc(I)c([O-])c1 ZINC000545462031 940570961 /nfs/dbraw/zinc/57/09/61/940570961.db2.gz FPGJAQYWMYBHEH-UHFFFAOYSA-N -1 1 422.266 4.239 20 0 HIADMM CCCCSc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1C(F)(F)F ZINC000545461161 940570995 /nfs/dbraw/zinc/57/09/95/940570995.db2.gz QMCSDXNIPTZONQ-CYBMUJFWSA-N -1 1 413.469 4.131 20 0 HIADMM CCOc1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1Cl ZINC000545481081 940571591 /nfs/dbraw/zinc/57/15/91/940571591.db2.gz DOZCRUYURIGKBR-UHFFFAOYSA-N -1 1 417.630 4.301 20 0 HIADMM CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000545505632 940572301 /nfs/dbraw/zinc/57/23/01/940572301.db2.gz UYEDKVOGLSHGPT-UHFFFAOYSA-N -1 1 423.250 4.478 20 0 HIADMM CC[C@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000545507886 940572340 /nfs/dbraw/zinc/57/23/40/940572340.db2.gz GKDIPGCMBSOQLR-OAHLLOKOSA-N -1 1 414.449 4.257 20 0 HIADMM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545515909 940572745 /nfs/dbraw/zinc/57/27/45/940572745.db2.gz KEZKQZRHJFNBRE-RTBURBONSA-N -1 1 419.572 4.283 20 0 HIADMM CCS[C@@H](C)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000545779327 940587685 /nfs/dbraw/zinc/58/76/85/940587685.db2.gz KJSCXUIGIIGUDE-LBPRGKRZSA-N -1 1 407.492 4.491 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(CCc4ccco4)no3)c2)c1 ZINC000545781467 940589527 /nfs/dbraw/zinc/58/95/27/940589527.db2.gz IKWMFUQLEZXERL-UHFFFAOYSA-N -1 1 409.467 4.224 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc(Cl)c1[O-] ZINC000545846896 940630810 /nfs/dbraw/zinc/63/08/10/940630810.db2.gz UJEDTGQFLJAEEU-VIFPVBQESA-N -1 1 419.831 4.311 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)cc(Cl)c1[O-] ZINC000545853935 940637725 /nfs/dbraw/zinc/63/77/25/940637725.db2.gz LJBIHKRJEVKVDD-RUZDIDTESA-N -1 1 402.299 4.229 20 0 HIADMM CCOc1cc(C(=O)N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)cc(Cl)c1[O-] ZINC000545856521 940639461 /nfs/dbraw/zinc/63/94/61/940639461.db2.gz AEFGKSVVNWELQG-BDJLRTHQSA-N -1 1 418.877 4.045 20 0 HIADMM CCOc1cc(C(=O)Nc2nnc(Cc3ccccc3F)s2)cc(Cl)c1[O-] ZINC000545856054 940639552 /nfs/dbraw/zinc/63/95/52/940639552.db2.gz NCPKQVXWRAXHHB-UHFFFAOYSA-N -1 1 407.854 4.278 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCCCC[C@H]1c1ccco1 ZINC000546201249 940728323 /nfs/dbraw/zinc/72/83/23/940728323.db2.gz YYQQBGZOFJXQAW-AWEZNQCLSA-N -1 1 411.239 4.347 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(CC(F)(F)F)no3)cc2)c1 ZINC000546269643 940754348 /nfs/dbraw/zinc/75/43/48/940754348.db2.gz DPNXJTJJXYFOEE-UHFFFAOYSA-N -1 1 411.405 4.259 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(Cc4ccc(C)nc4)no3)c2)c1 ZINC000546341909 940794881 /nfs/dbraw/zinc/79/48/81/940794881.db2.gz SLJVFTOIWPMQOE-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM CCc1cnccc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)n1 ZINC000546447484 940821977 /nfs/dbraw/zinc/82/19/77/940821977.db2.gz FXHBBBHEXUEUNU-UHFFFAOYSA-N -1 1 420.494 4.470 20 0 HIADMM Cc1ccc(-c2nc([C@H]3CCCO3)no2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000546476596 940830715 /nfs/dbraw/zinc/83/07/15/940830715.db2.gz APVPZIOWIUPCHW-MRXNPFEDSA-N -1 1 419.890 4.351 20 0 HIADMM CCOc1cc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc(Cl)c1[O-] ZINC000546584168 940858044 /nfs/dbraw/zinc/85/80/44/940858044.db2.gz QNJXJAYPPQUNLE-UHFFFAOYSA-N -1 1 404.894 4.359 20 0 HIADMM Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000546611843 940861228 /nfs/dbraw/zinc/86/12/28/940861228.db2.gz RNOAMPRNKLVWFI-UHFFFAOYSA-N -1 1 418.518 4.298 20 0 HIADMM Cc1[nH]c2ccc(CNC(=O)c3ccc(I)c([O-])c3)cc2c1C ZINC000546874149 940899141 /nfs/dbraw/zinc/89/91/41/940899141.db2.gz KKZJJZFBIUPVTC-UHFFFAOYSA-N -1 1 420.250 4.025 20 0 HIADMM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccc(I)c([O-])c1 ZINC000546920459 940913145 /nfs/dbraw/zinc/91/31/45/940913145.db2.gz CEZFLMLUSMKPGG-UHFFFAOYSA-N -1 1 404.207 4.244 20 0 HIADMM CN(Cc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546925141 940914353 /nfs/dbraw/zinc/91/43/53/940914353.db2.gz BNQZMEYZQTWVMN-UHFFFAOYSA-N -1 1 413.474 4.290 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)c(Cl)c1 ZINC000564053430 945363898 /nfs/dbraw/zinc/36/38/98/945363898.db2.gz ZPNCPYMTUMYRAB-UHFFFAOYSA-N -1 1 405.863 4.040 20 0 HIADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2c(F)cccc2F)cc1 ZINC000547962353 941080805 /nfs/dbraw/zinc/08/08/05/941080805.db2.gz ACWXPMQSFLSMRM-UHFFFAOYSA-N -1 1 417.433 4.148 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(F)cc2Br)cc(Cl)c1[O-] ZINC000548313421 941095407 /nfs/dbraw/zinc/09/54/07/941095407.db2.gz QRSXHTUZYFJVLF-UHFFFAOYSA-N -1 1 402.647 4.276 20 0 HIADMM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1c(Cl)cccc1C(F)(F)F ZINC000548370993 941098194 /nfs/dbraw/zinc/09/81/94/941098194.db2.gz JJHJABBKNWXWJD-ZDUSSCGKSA-N -1 1 409.788 4.300 20 0 HIADMM CO[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000549260708 941174783 /nfs/dbraw/zinc/17/47/83/941174783.db2.gz HPGZJCZVCDQZTF-RTBURBONSA-N -1 1 422.934 4.285 20 0 HIADMM CC(C)c1noc(Cc2ccc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)cc2)n1 ZINC000549556139 941199169 /nfs/dbraw/zinc/19/91/69/941199169.db2.gz XLGULLCCFDGBGF-UHFFFAOYSA-N -1 1 409.870 4.377 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c2ccccc21 ZINC000549817471 941208390 /nfs/dbraw/zinc/20/83/90/941208390.db2.gz FALURWHPAXTPGO-OAHLLOKOSA-N -1 1 410.470 4.390 20 0 HIADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)cc2CC1 ZINC000551114150 941412542 /nfs/dbraw/zinc/41/25/42/941412542.db2.gz NTXIGYSAOFMFFV-UHFFFAOYSA-N -1 1 420.534 4.102 20 0 HIADMM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccc2c(c1F)CCNC2=O ZINC000551117117 941413319 /nfs/dbraw/zinc/41/33/19/941413319.db2.gz SNYJSVLILBFKIF-UHFFFAOYSA-N -1 1 424.906 4.089 20 0 HIADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1nc(C(F)(F)F)cs1 ZINC000551516374 941493232 /nfs/dbraw/zinc/49/32/32/941493232.db2.gz JGOWZSVOQISYAC-VIFPVBQESA-N -1 1 402.822 4.384 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cnc([C@@H]2CCCO2)s1 ZINC000552197823 941600281 /nfs/dbraw/zinc/60/02/81/941600281.db2.gz UTMFFUALJJDWQB-JTQLQIEISA-N -1 1 403.685 4.368 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3c(O)cccc3Cl)c2)c1 ZINC000552780605 941760543 /nfs/dbraw/zinc/76/05/43/941760543.db2.gz HURWWLALKVTVIG-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000553028330 941820183 /nfs/dbraw/zinc/82/01/83/941820183.db2.gz HWISVWNDSVGCRC-QGZVFWFLSA-N -1 1 417.937 4.339 20 0 HIADMM Cc1ccc(C(=O)N[C@@H]2CCCSC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000553197492 941847907 /nfs/dbraw/zinc/84/79/07/941847907.db2.gz MSEHSMFTARAXCI-QGZVFWFLSA-N -1 1 424.975 4.075 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C ZINC000553225486 941852595 /nfs/dbraw/zinc/85/25/95/941852595.db2.gz VLOFQRAQLCSGIA-FQEVSTJZSA-N -1 1 424.932 4.305 20 0 HIADMM COc1cc(C(=O)NC2(Cc3ccccc3Br)CC2)cc(Cl)c1[O-] ZINC000553782906 941967817 /nfs/dbraw/zinc/96/78/17/941967817.db2.gz MIMSHWUWIDTWGD-UHFFFAOYSA-N -1 1 410.695 4.322 20 0 HIADMM CSC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000554276149 942087667 /nfs/dbraw/zinc/08/76/67/942087667.db2.gz KCRPUTIGUCWOGZ-QGZVFWFLSA-N -1 1 418.584 4.011 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000555814844 942742019 /nfs/dbraw/zinc/74/20/19/942742019.db2.gz DZHBWYRPMQBCCQ-OAQYLSRUSA-N -1 1 420.490 4.186 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(C3CCC3)nc2c1)c1ccc(OC(F)F)c(F)c1 ZINC000556092669 942803795 /nfs/dbraw/zinc/80/37/95/942803795.db2.gz MMBLZMGQDUFJMH-UHFFFAOYSA-N -1 1 411.405 4.372 20 0 HIADMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3Br)cc2)n1 ZINC000556334267 942843567 /nfs/dbraw/zinc/84/35/67/942843567.db2.gz ZTHQDOMHHCCHOR-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000556846017 942938353 /nfs/dbraw/zinc/93/83/53/942938353.db2.gz VQMKKYNQTIHHHU-VXGBXAGGSA-N -1 1 424.678 4.322 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000556846015 942939112 /nfs/dbraw/zinc/93/91/12/942939112.db2.gz VQMKKYNQTIHHHU-NWDGAFQWSA-N -1 1 424.678 4.322 20 0 HIADMM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000556850333 942940086 /nfs/dbraw/zinc/94/00/86/942940086.db2.gz CWELFMFIDDUJRH-SNVBAGLBSA-N -1 1 412.667 4.417 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)c2)cc1F ZINC000556952232 942978543 /nfs/dbraw/zinc/97/85/43/942978543.db2.gz KRIGKKFCPZEFMB-IFMALSPDSA-N -1 1 424.497 4.221 20 0 HIADMM CCC(CC)(CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1)OC ZINC000557083079 943015993 /nfs/dbraw/zinc/01/59/93/943015993.db2.gz YXYKAGUTVOBUKS-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM O=C(NC1(C(F)F)CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000557456337 943137832 /nfs/dbraw/zinc/13/78/32/943137832.db2.gz PRNLBSLEUNZPRR-UHFFFAOYSA-N -1 1 408.470 4.185 20 0 HIADMM Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cs1 ZINC000558482433 943570889 /nfs/dbraw/zinc/57/08/89/943570889.db2.gz YGXSTQOFEZMPBI-UHFFFAOYSA-N -1 1 413.400 4.311 20 0 HIADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(C)cc2)c1 ZINC000558586949 943609968 /nfs/dbraw/zinc/60/99/68/943609968.db2.gz RWBYLCUJFCQCGK-UHFFFAOYSA-N -1 1 410.495 4.255 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)ccc1C(F)(F)F ZINC000558589858 943611095 /nfs/dbraw/zinc/61/10/95/943611095.db2.gz AXFCJEXUGRXATR-RUZDIDTESA-N -1 1 405.463 4.002 20 0 HIADMM CCN(CC)C(=O)CCC1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000558749958 943641059 /nfs/dbraw/zinc/64/10/59/943641059.db2.gz UPVAYEZXXJSYRZ-UHFFFAOYSA-N -1 1 417.937 4.095 20 0 HIADMM CCc1cc2c(nc(-c3n[nH]c(-c4cccc(Br)c4)n3)[n-]c2=O)s1 ZINC000560080593 944151605 /nfs/dbraw/zinc/15/16/05/944151605.db2.gz QYTVQESFKONFQN-UHFFFAOYSA-N -1 1 402.277 4.174 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cn2cccc(C)c2=O)cc1Cl ZINC000561702570 944754355 /nfs/dbraw/zinc/75/43/55/944754355.db2.gz WUSGBNSLZIACNY-UHFFFAOYSA-N -1 1 420.893 4.107 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1C(=O)OC(C)C ZINC000561757976 944782289 /nfs/dbraw/zinc/78/22/89/944782289.db2.gz RQQAQFWSJXLRSM-UHFFFAOYSA-N -1 1 423.441 4.175 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000562227232 945031951 /nfs/dbraw/zinc/03/19/51/945031951.db2.gz TXQXJCSZYXFORU-UHFFFAOYSA-N -1 1 408.829 4.261 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2cn3cccnc3n2)c1)c1ccc(C(F)F)cc1 ZINC000565736266 945874666 /nfs/dbraw/zinc/87/46/66/945874666.db2.gz GCHPIBRAJTUDKP-UHFFFAOYSA-N -1 1 400.410 4.135 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3[C@H](C)CC[C@@H]3CC)c2)cc1 ZINC000567098525 946243258 /nfs/dbraw/zinc/24/32/58/946243258.db2.gz NVKHHTMTIKYKMG-APWZRJJASA-N -1 1 416.543 4.289 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc(CN2CCCC2=O)cc1 ZINC000567539414 946367926 /nfs/dbraw/zinc/36/79/26/946367926.db2.gz AYRGXLVURZRKGB-UHFFFAOYSA-N -1 1 423.694 4.183 20 0 HIADMM CC[C@@H]1CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000568101973 946462901 /nfs/dbraw/zinc/46/29/01/946462901.db2.gz HQUNBCUYZFUZNM-MRXNPFEDSA-N -1 1 412.433 4.131 20 0 HIADMM O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000569023745 946801212 /nfs/dbraw/zinc/80/12/12/946801212.db2.gz XBLDOGRGNADOCU-HNNXBMFYSA-N -1 1 413.861 4.027 20 0 HIADMM Cc1cccc([C@@H](c2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)C(C)C)c1 ZINC000569154778 946826626 /nfs/dbraw/zinc/82/66/26/946826626.db2.gz OZGPEQPNGNMKPW-YOEHRIQHSA-N -1 1 405.545 4.267 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C(C)C)C3CCC3)c2)cc1 ZINC000569175761 946832338 /nfs/dbraw/zinc/83/23/38/946832338.db2.gz UGZKURHTEUTHQE-UHFFFAOYSA-N -1 1 416.543 4.289 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(F)cc1Br ZINC000570313605 947194128 /nfs/dbraw/zinc/19/41/28/947194128.db2.gz YHHYUUJPTWYZTQ-UHFFFAOYSA-N -1 1 413.190 4.111 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)c1 ZINC000571012678 947437166 /nfs/dbraw/zinc/43/71/66/947437166.db2.gz SLHHQDSIPDIZFH-UHFFFAOYSA-N -1 1 407.879 4.111 20 0 HIADMM O=S(=O)([N-]c1cc(C(F)F)ccc1Cl)c1cnn(-c2ccccc2F)c1 ZINC000571121586 947513940 /nfs/dbraw/zinc/51/39/40/947513940.db2.gz NQMHXPDPWBYFLQ-UHFFFAOYSA-N -1 1 401.797 4.403 20 0 HIADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000571549697 947699441 /nfs/dbraw/zinc/69/94/41/947699441.db2.gz WYXHPIYFADTZOQ-HSZRJFAPSA-N -1 1 420.534 4.411 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC=C(c2ccco2)C1 ZINC000572669139 947976142 /nfs/dbraw/zinc/97/61/42/947976142.db2.gz KWKLBLHTBKFLLN-UHFFFAOYSA-N -1 1 408.479 4.010 20 0 HIADMM CC1(C)Cc2cc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)sc2-c2ccccc21 ZINC000572682819 947983598 /nfs/dbraw/zinc/98/35/98/947983598.db2.gz XEPARBBKUULJQJ-CYBMUJFWSA-N -1 1 409.511 4.357 20 0 HIADMM O=C([O-])C[C@H](NCc1cnn(-c2ccc(Br)cc2)c1)c1ccsc1 ZINC000572905195 948034305 /nfs/dbraw/zinc/03/43/05/948034305.db2.gz DJFCDNYTYQOIJN-INIZCTEOSA-N -1 1 406.305 4.002 20 0 HIADMM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000573132499 948083744 /nfs/dbraw/zinc/08/37/44/948083744.db2.gz AFMFEQJLLHFDGL-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM CC(F)(F)c1cccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000573617380 948251460 /nfs/dbraw/zinc/25/14/60/948251460.db2.gz ZVJACSWEQMBFLJ-UHFFFAOYSA-N -1 1 423.268 4.022 20 0 HIADMM O=C(NCc1ccccc1)[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000574122126 948371491 /nfs/dbraw/zinc/37/14/91/948371491.db2.gz OKFQOGMGHNOKFS-KRWDZBQOSA-N -1 1 401.438 4.270 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-][C@@](C)(c2ccccc2)C(F)(F)F)cc1OC ZINC000574361755 948424100 /nfs/dbraw/zinc/42/41/00/948424100.db2.gz WGEMYZZQPQZNGN-INIZCTEOSA-N -1 1 423.840 4.113 20 0 HIADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000574445845 948445407 /nfs/dbraw/zinc/44/54/07/948445407.db2.gz UCZOBJXUBQUATR-WPRPVWTQSA-N -1 1 403.198 4.116 20 0 HIADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000574582710 948482635 /nfs/dbraw/zinc/48/26/35/948482635.db2.gz LASVEOIXPJBFGH-UHFFFAOYSA-N -1 1 422.528 4.074 20 0 HIADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(-c4ccccc4)c3)cc21 ZINC000575087952 948588728 /nfs/dbraw/zinc/58/87/28/948588728.db2.gz RZCGCZFERFBYIZ-UHFFFAOYSA-N -1 1 406.507 4.454 20 0 HIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c1 ZINC000436011278 861302311 /nfs/dbraw/zinc/30/23/11/861302311.db2.gz AZKOGSPFKCOCEZ-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2)c1C ZINC000436037014 861328129 /nfs/dbraw/zinc/32/81/29/861328129.db2.gz HVEPJSNXTIFOHR-JTHBVZDNSA-N -1 1 420.534 4.390 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)ccc1Br ZINC000436162566 861464159 /nfs/dbraw/zinc/46/41/59/861464159.db2.gz SFUIQFJIMFBRTB-UHFFFAOYSA-N -1 1 406.248 4.370 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1Oc1ccc(C)nn1 ZINC000436163081 861463723 /nfs/dbraw/zinc/46/37/23/861463723.db2.gz PYOQDIKLYDCDLR-UHFFFAOYSA-N -1 1 417.512 4.109 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1F ZINC000436168807 861470499 /nfs/dbraw/zinc/47/04/99/861470499.db2.gz YPSZSDNPSFNTJF-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)cc1C ZINC000436173143 861474768 /nfs/dbraw/zinc/47/47/68/861474768.db2.gz AYIDFVKVQLNBGZ-UHFFFAOYSA-N -1 1 411.321 4.079 20 0 HIADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)n1 ZINC000436208116 861509284 /nfs/dbraw/zinc/50/92/84/861509284.db2.gz JDSFBLFAPHMASU-ZJUUUORDSA-N -1 1 402.545 4.433 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 ZINC000006177511 845180330 /nfs/dbraw/zinc/18/03/30/845180330.db2.gz KBKNHPWTKSHYCT-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)cc1 ZINC000006178088 845181695 /nfs/dbraw/zinc/18/16/95/845181695.db2.gz WSBIKKSJUQVXKJ-UHFFFAOYSA-N -1 1 416.543 4.339 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)cc1NC(C)=O ZINC000007056012 845244274 /nfs/dbraw/zinc/24/42/74/845244274.db2.gz MIIYXKABFSJOIW-UHFFFAOYSA-N -1 1 410.451 4.354 20 0 HIADMM COc1ccccc1Nc1nnc(SCc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000008089734 845473386 /nfs/dbraw/zinc/47/33/86/845473386.db2.gz WJEAYVWULPMPMN-UHFFFAOYSA-N -1 1 413.480 4.395 20 0 HIADMM COc1ccc(Nc2nnc(SCc3cc(=O)oc4cc([O-])ccc34)s2)cc1 ZINC000008091219 845473456 /nfs/dbraw/zinc/47/34/56/845473456.db2.gz PNEKFAIWLZCKJG-UHFFFAOYSA-N -1 1 413.480 4.395 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1 ZINC000008289199 845508112 /nfs/dbraw/zinc/50/81/12/845508112.db2.gz INIAFPFYJGRIAK-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c(O)c1 ZINC000008378797 845521033 /nfs/dbraw/zinc/52/10/33/845521033.db2.gz HMRQEEIHWBQHOF-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM CC(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1 ZINC000009859190 845597110 /nfs/dbraw/zinc/59/71/10/845597110.db2.gz GPPZQYZNWDKSRV-UHFFFAOYSA-N -1 1 424.522 4.205 20 0 HIADMM Cc1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)s1 ZINC000010556687 845674548 /nfs/dbraw/zinc/67/45/48/845674548.db2.gz NONAZQDVHNGEND-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1onc(-c2ccccc2)c1C(=O)[N-]NC(=O)c1ccc(OCCC(C)C)cc1 ZINC000010628238 845682281 /nfs/dbraw/zinc/68/22/81/845682281.db2.gz ZPJKGARUNXXVIG-UHFFFAOYSA-N -1 1 407.470 4.150 20 0 HIADMM Cc1cnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)s1 ZINC000010625058 845682605 /nfs/dbraw/zinc/68/26/05/845682605.db2.gz ZBCPHOXNYZMENQ-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCc1ccccc1OC(F)F ZINC000012826958 845892234 /nfs/dbraw/zinc/89/22/34/845892234.db2.gz ZAGKUEZYJUCDAX-UHFFFAOYSA-N -1 1 424.860 4.179 20 0 HIADMM O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2cccc3ccccc32)c1 ZINC000013264840 845912002 /nfs/dbraw/zinc/91/20/02/845912002.db2.gz YWWSPYQYRJEDKW-UHFFFAOYSA-N -1 1 406.257 4.101 20 0 HIADMM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000015248032 846023190 /nfs/dbraw/zinc/02/31/90/846023190.db2.gz ILKCJDBROMXWNL-UHFFFAOYSA-N -1 1 418.824 4.052 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc4C3)cc2)c1 ZINC000015339262 846037017 /nfs/dbraw/zinc/03/70/17/846037017.db2.gz FOSUBNCNDUNOTK-UHFFFAOYSA-N -1 1 420.534 4.303 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000015434094 846048315 /nfs/dbraw/zinc/04/83/15/846048315.db2.gz YQRGZFSVNPXYHF-GJZGRUSLSA-N -1 1 404.507 4.053 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)ccc1F ZINC000015588814 846067931 /nfs/dbraw/zinc/06/79/31/846067931.db2.gz CKNFPVNDWOAKHR-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)cc1 ZINC000015588826 846067943 /nfs/dbraw/zinc/06/79/43/846067943.db2.gz LWWITXNWPDKIAD-UHFFFAOYSA-N -1 1 418.421 4.027 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)c2)cc1F ZINC000436331219 861638329 /nfs/dbraw/zinc/63/83/29/861638329.db2.gz GJAWMSDKWXWOSQ-HOCLYGCPSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)COc3ccccc3C)ccc2C)c1 ZINC000015950474 846104084 /nfs/dbraw/zinc/10/40/84/846104084.db2.gz URESAJYPOSVHPQ-UHFFFAOYSA-N -1 1 424.522 4.430 20 0 HIADMM O=c1cc(CSc2nnc(NCc3ccc(F)cc3)s2)c2ccc([O-])cc2o1 ZINC000016335332 846157089 /nfs/dbraw/zinc/15/70/89/846157089.db2.gz WOCFVIRHCHLFHC-UHFFFAOYSA-N -1 1 415.471 4.394 20 0 HIADMM Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)n1 ZINC000016494210 846178301 /nfs/dbraw/zinc/17/83/01/846178301.db2.gz GJDAZWVKSJKYLW-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000016506464 846180765 /nfs/dbraw/zinc/18/07/65/846180765.db2.gz WNDNTUINYGZMMN-UHFFFAOYSA-N -1 1 410.495 4.447 20 0 HIADMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000016639847 846193395 /nfs/dbraw/zinc/19/33/95/846193395.db2.gz NOYDUTWKCCCGGR-UHFFFAOYSA-N -1 1 420.840 4.299 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1 ZINC000016645112 846194341 /nfs/dbraw/zinc/19/43/41/846194341.db2.gz DDDQNUAZHJJTTO-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM Cc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000016641396 846194508 /nfs/dbraw/zinc/19/45/08/846194508.db2.gz IIPKCKIOJCYUHC-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC(C)C)c2)cc1Cl ZINC000017301068 846241616 /nfs/dbraw/zinc/24/16/16/846241616.db2.gz KPVRNQRPZKFARV-UHFFFAOYSA-N -1 1 401.315 4.241 20 0 HIADMM O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000017357595 846249687 /nfs/dbraw/zinc/24/96/87/846249687.db2.gz YMPDSVHYQCPDGH-UHFFFAOYSA-N -1 1 414.914 4.113 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000018015417 846283287 /nfs/dbraw/zinc/28/32/87/846283287.db2.gz ITGHBTGRAGJUHX-LBPRGKRZSA-N -1 1 418.469 4.162 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cccs3)c2)c1 ZINC000018081678 846292739 /nfs/dbraw/zinc/29/27/39/846292739.db2.gz MLEFMIJCLKHBQY-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)cc1 ZINC000021867498 846505690 /nfs/dbraw/zinc/50/56/90/846505690.db2.gz DPTWLGNUMLFAMS-UHFFFAOYSA-N -1 1 416.572 4.356 20 0 HIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)cc1 ZINC000021894005 846506506 /nfs/dbraw/zinc/50/65/06/846506506.db2.gz ITEBZUMJVGFDPM-UHFFFAOYSA-N -1 1 409.511 4.477 20 0 HIADMM O=C(Nc1ccccn1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000021894031 846506807 /nfs/dbraw/zinc/50/68/07/846506807.db2.gz ZPDHOIYGBASHNK-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccccc3C)cc2)cc1 ZINC000021923685 846511751 /nfs/dbraw/zinc/51/17/51/846511751.db2.gz HPNFGLYAQXOSSC-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000022200132 846544633 /nfs/dbraw/zinc/54/46/33/846544633.db2.gz CHMUYMHZJIQTNV-VIFPVBQESA-N -1 1 400.331 4.329 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000022643818 846596568 /nfs/dbraw/zinc/59/65/68/846596568.db2.gz BWOOYOYFMQXPTE-UHFFFAOYSA-N -1 1 423.542 4.245 20 0 HIADMM O=C(/C=C/c1ccsc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000022648467 846597613 /nfs/dbraw/zinc/59/76/13/846597613.db2.gz UDJZVEFKCOJRLK-UNXLUWIOSA-N -1 1 420.462 4.479 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000022737709 846612366 /nfs/dbraw/zinc/61/23/66/846612366.db2.gz XWPFVYQGLVQSLL-UHFFFAOYSA-N -1 1 408.405 4.274 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H](C)CC[C@H]2C)cc1 ZINC000436365836 861702496 /nfs/dbraw/zinc/70/24/96/861702496.db2.gz NCERROIGLDXJSC-GOEBONIOSA-N -1 1 404.507 4.196 20 0 HIADMM CC[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000023979529 846766877 /nfs/dbraw/zinc/76/68/77/846766877.db2.gz HSJGTXMTJPKCDW-HXUWFJFHSA-N -1 1 414.527 4.095 20 0 HIADMM O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000024026758 846777003 /nfs/dbraw/zinc/77/70/03/846777003.db2.gz YKWUVVODVYYYQC-QFIPXVFZSA-N -1 1 406.507 4.369 20 0 HIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3OC)cc2)c1 ZINC000024262542 846807911 /nfs/dbraw/zinc/80/79/11/846807911.db2.gz FCRYHASDPOLLRT-UHFFFAOYSA-N -1 1 413.451 4.075 20 0 HIADMM Cc1ccc(-c2nnc3n2CCCCC3)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000024433842 846822911 /nfs/dbraw/zinc/82/29/11/846822911.db2.gz SCHPSTGTPQRHKA-UHFFFAOYSA-N -1 1 416.934 4.434 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N1CCc2sccc2C1 ZINC000024434458 846824518 /nfs/dbraw/zinc/82/45/18/846824518.db2.gz WOJJLRUFYSYMMJ-UHFFFAOYSA-N -1 1 412.536 4.056 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(N3CCCCC3=O)c2)c1 ZINC000025238344 846946353 /nfs/dbraw/zinc/94/63/53/846946353.db2.gz QPKXPLNMPHAUEH-UHFFFAOYSA-N -1 1 421.526 4.072 20 0 HIADMM COc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)cc1 ZINC000025379602 846971165 /nfs/dbraw/zinc/97/11/65/846971165.db2.gz PSAZRKLTHIMDNV-UHFFFAOYSA-N -1 1 424.522 4.043 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccnc(Cl)c3)ccc2C)c1 ZINC000025385151 846971412 /nfs/dbraw/zinc/97/14/12/846971412.db2.gz GNVSYNJXRACUAR-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCc3cccs3)c2)c1 ZINC000025447980 846977744 /nfs/dbraw/zinc/97/77/44/846977744.db2.gz MMQMBFNKSWYAKV-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000026238368 847108866 /nfs/dbraw/zinc/10/88/66/847108866.db2.gz DWXZPEJNKRBKCU-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1OC ZINC000026548422 847167267 /nfs/dbraw/zinc/16/72/67/847167267.db2.gz FIFCZBQTRUGYEI-UHFFFAOYSA-N -1 1 400.456 4.037 20 0 HIADMM CC[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000027155221 847257625 /nfs/dbraw/zinc/25/76/25/847257625.db2.gz OWWXQWYCZYNNEL-AWEZNQCLSA-N -1 1 408.470 4.028 20 0 HIADMM Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000027648992 847331556 /nfs/dbraw/zinc/33/15/56/847331556.db2.gz IWIBTLMODLNGMC-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000027706807 847342266 /nfs/dbraw/zinc/34/22/66/847342266.db2.gz HRRNWUNXILTQEG-KKSFZXQISA-N -1 1 416.543 4.195 20 0 HIADMM Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000028194912 847395162 /nfs/dbraw/zinc/39/51/62/847395162.db2.gz JLGIWNYWSOZGCS-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000028199788 847396437 /nfs/dbraw/zinc/39/64/37/847396437.db2.gz SZMLXKXKQZJYDC-HUUCEWRRSA-N -1 1 404.507 4.053 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c5c(cccc53)CC4)cc2C[C@@H]1C ZINC000028687342 847448610 /nfs/dbraw/zinc/44/86/10/847448610.db2.gz NXOZISYULSWUCQ-AWEZNQCLSA-N -1 1 406.507 4.037 20 0 HIADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2oc3c(ccc4ccccc34)c2C)cc1 ZINC000028698690 847449935 /nfs/dbraw/zinc/44/99/35/847449935.db2.gz XLIZHHGONMNPFI-UHFFFAOYSA-N -1 1 417.417 4.016 20 0 HIADMM COc1cccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000028700950 847450946 /nfs/dbraw/zinc/45/09/46/847450946.db2.gz QWBDZYDARPBGES-UHFFFAOYSA-N -1 1 424.522 4.294 20 0 HIADMM O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000028814184 847464853 /nfs/dbraw/zinc/46/48/53/847464853.db2.gz YLXHOXDPOWVDSY-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM CCOc1cc2c(cc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1)O[C@@H](C)C2 ZINC000029129546 847510190 /nfs/dbraw/zinc/51/01/90/847510190.db2.gz XAYVUKCMTASXTI-AWEZNQCLSA-N -1 1 424.526 4.277 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCC(C)C)c2)cc1 ZINC000029140315 847512187 /nfs/dbraw/zinc/51/21/87/847512187.db2.gz IHFFMZQBVDTKPO-UHFFFAOYSA-N -1 1 404.532 4.052 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)s2)cc1 ZINC000029171478 847519567 /nfs/dbraw/zinc/51/95/67/847519567.db2.gz WNZFWJLYFGZNLW-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000029287615 847539685 /nfs/dbraw/zinc/53/96/85/847539685.db2.gz COUMALAJRRHHQH-WOJBJXKFSA-N -1 1 415.559 4.217 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC3CCCCC3)c2)cc1 ZINC000029289284 847540564 /nfs/dbraw/zinc/54/05/64/847540564.db2.gz WBYBFQXQFGHDNE-UHFFFAOYSA-N -1 1 400.544 4.448 20 0 HIADMM Cc1nc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)sc1C ZINC000029579702 847582946 /nfs/dbraw/zinc/58/29/46/847582946.db2.gz GRZVDRVFONIWBS-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])c(C)o1 ZINC000029697929 847602397 /nfs/dbraw/zinc/60/23/97/847602397.db2.gz BIFRKELSHKFZMX-UHFFFAOYSA-N -1 1 420.874 4.309 20 0 HIADMM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000029799463 847622612 /nfs/dbraw/zinc/62/26/12/847622612.db2.gz SENBYQCGZXMOKY-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM Cc1cc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)c(C)s1 ZINC000029843066 847630985 /nfs/dbraw/zinc/63/09/85/847630985.db2.gz AUBLUYFWMYYZEG-CQSZACIVSA-N -1 1 415.540 4.052 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1 ZINC000029952664 847658142 /nfs/dbraw/zinc/65/81/42/847658142.db2.gz QGMSZWUUJOFWHP-UHFFFAOYSA-N -1 1 421.482 4.218 20 0 HIADMM Cn1ccnc1[C@@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000029955951 847658820 /nfs/dbraw/zinc/65/88/20/847658820.db2.gz QUQASZAVRKHKFH-HNNXBMFYSA-N -1 1 421.335 4.457 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000030000997 847667558 /nfs/dbraw/zinc/66/75/58/847667558.db2.gz WUGMFCIFKJKDIW-VQIMIIECSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCC[C@@H](C)C3)c2)cc1F ZINC000030015296 847670234 /nfs/dbraw/zinc/67/02/34/847670234.db2.gz UPLAPSGUVXHKSG-PBHICJAKSA-N -1 1 404.507 4.243 20 0 HIADMM Cc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000030028916 847674018 /nfs/dbraw/zinc/67/40/18/847674018.db2.gz HWOPBUQEFRZOCU-UHFFFAOYSA-N -1 1 406.507 4.389 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cc(F)cc(F)c3)c2)c1 ZINC000030161419 847684545 /nfs/dbraw/zinc/68/45/45/847684545.db2.gz SVJLVVFWZIMEQU-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@H]3C)ccc2C)cc1 ZINC000030266672 847693955 /nfs/dbraw/zinc/69/39/55/847693955.db2.gz QZWPXGLTIIKAMO-GOSISDBHSA-N -1 1 423.538 4.123 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nncs2)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000436477424 861819057 /nfs/dbraw/zinc/81/90/57/861819057.db2.gz LSMITXRTMUKBFD-UHFFFAOYSA-N -1 1 417.846 4.261 20 0 HIADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000030382006 847710003 /nfs/dbraw/zinc/71/00/03/847710003.db2.gz XNKYBIHHDYMLSI-JLTOFOAXSA-N -1 1 422.497 4.416 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCCC[C@@H]3C)c2)cc1 ZINC000030382186 847710061 /nfs/dbraw/zinc/71/00/61/847710061.db2.gz FXDAOZCTQQBPMI-KKSFZXQISA-N -1 1 416.543 4.147 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000436513972 861831452 /nfs/dbraw/zinc/83/14/52/861831452.db2.gz OFHSAMCFIKUMMB-UHFFFAOYSA-N -1 1 420.343 4.413 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)c1 ZINC000436501549 861826496 /nfs/dbraw/zinc/82/64/96/861826496.db2.gz AJWHQQXBEVGKEC-UHFFFAOYSA-N -1 1 421.375 4.381 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000436502161 861826826 /nfs/dbraw/zinc/82/68/26/861826826.db2.gz BNKQLCSKIZOTQN-UHFFFAOYSA-N -1 1 400.818 4.059 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccnc2SCc2ccc(F)cc2)c1 ZINC000436502688 861827569 /nfs/dbraw/zinc/82/75/69/861827569.db2.gz DDGZNGZPVBZGEI-UHFFFAOYSA-N -1 1 412.442 4.258 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)c1 ZINC000436503544 861827595 /nfs/dbraw/zinc/82/75/95/861827595.db2.gz HZKMFDNVQNIAEM-UHFFFAOYSA-N -1 1 419.437 4.384 20 0 HIADMM Cc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC000031108426 847824895 /nfs/dbraw/zinc/82/48/95/847824895.db2.gz AEXOQAQGOOMFLI-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)c1 ZINC000031107399 847824961 /nfs/dbraw/zinc/82/49/61/847824961.db2.gz SZMSHMDNGVDOSN-UHFFFAOYSA-N -1 1 408.523 4.343 20 0 HIADMM CN(CCCOc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000031365166 847869827 /nfs/dbraw/zinc/86/98/27/847869827.db2.gz HAHHESZVBLRMOB-UHFFFAOYSA-N -1 1 424.522 4.029 20 0 HIADMM CN(Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1)C(=O)C(F)(F)F ZINC000031374378 847871005 /nfs/dbraw/zinc/87/10/05/847871005.db2.gz GIYRPIKSPJDAOG-UHFFFAOYSA-N -1 1 402.372 4.318 20 0 HIADMM COc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1NC(=O)c1cccnc1 ZINC000031447148 847887375 /nfs/dbraw/zinc/88/73/75/847887375.db2.gz UJCICDHBVKPULM-UHFFFAOYSA-N -1 1 413.433 4.454 20 0 HIADMM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436537346 861841183 /nfs/dbraw/zinc/84/11/83/861841183.db2.gz FBJCBDZMACGUHR-INIZCTEOSA-N -1 1 400.276 4.019 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000436537168 861841656 /nfs/dbraw/zinc/84/16/56/861841656.db2.gz GIXPVVVKXXSCNG-UHFFFAOYSA-N -1 1 412.230 4.117 20 0 HIADMM O=C(Nc1ccc(C(=O)NCc2cscn2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000436539466 861842041 /nfs/dbraw/zinc/84/20/41/861842041.db2.gz WENVXHOSQUCLAM-UHFFFAOYSA-N -1 1 422.293 4.338 20 0 HIADMM CCc1cccc(C)c1NC(=S)N[N-]C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000031528427 847900652 /nfs/dbraw/zinc/90/06/52/847900652.db2.gz XNWBKWWVYNVUGB-UHFFFAOYSA-N -1 1 413.934 4.232 20 0 HIADMM O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(=O)c1ccc([O-])cc1 ZINC000436542415 861843128 /nfs/dbraw/zinc/84/31/28/861843128.db2.gz BSFJJOYUYKOCTF-CQSZACIVSA-N -1 1 405.294 4.404 20 0 HIADMM C[C@@]1(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCOC1 ZINC000436544322 861844790 /nfs/dbraw/zinc/84/47/90/861844790.db2.gz IXXRVHHGIZMSMW-FQEVSTJZSA-N -1 1 423.296 4.108 20 0 HIADMM O=C(Nc1cc(Cl)c(O)cc1F)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000436567522 861855140 /nfs/dbraw/zinc/85/51/40/861855140.db2.gz XTQXBTBJIWRGNH-UHFFFAOYSA-N -1 1 415.730 4.347 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2cccc3cccnc32)cc1 ZINC000032064761 847983846 /nfs/dbraw/zinc/98/38/46/847983846.db2.gz QXCPGFLEEYLLAO-UHFFFAOYSA-N -1 1 417.538 4.213 20 0 HIADMM C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436569087 861855065 /nfs/dbraw/zinc/85/50/65/861855065.db2.gz ZROXXYWMKHGKKX-CYBMUJFWSA-N -1 1 423.738 4.327 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC23CCC3)c([O-])c1)c1cccc(Br)c1 ZINC000436573905 861856727 /nfs/dbraw/zinc/85/67/27/861856727.db2.gz JITXXGCFBJPRDI-UHFFFAOYSA-N -1 1 415.287 4.176 20 0 HIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@@H](C)n3cccn3)c2)cc1 ZINC000032600457 848052064 /nfs/dbraw/zinc/05/20/64/848052064.db2.gz FXVUJWYSOCCRQQ-MRXNPFEDSA-N -1 1 412.515 4.007 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC1CCCC1 ZINC000032595595 848052692 /nfs/dbraw/zinc/05/26/92/848052692.db2.gz YSPJVVQJOIDJEY-UHFFFAOYSA-N -1 1 406.460 4.034 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000032631332 848056329 /nfs/dbraw/zinc/05/63/29/848056329.db2.gz PMUXIJLKGBOYOE-LJQANCHMSA-N -1 1 423.450 4.060 20 0 HIADMM C[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])C1 ZINC000032743868 848070315 /nfs/dbraw/zinc/07/03/15/848070315.db2.gz BHCRHJSOSUNBDZ-ZDUSSCGKSA-N -1 1 417.303 4.279 20 0 HIADMM CCC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000032743859 848070563 /nfs/dbraw/zinc/07/05/63/848070563.db2.gz HWQSGLQGJVWETF-LBPRGKRZSA-N -1 1 405.292 4.325 20 0 HIADMM O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1ccc(Cl)cc1[O-] ZINC000436599363 861863839 /nfs/dbraw/zinc/86/38/39/861863839.db2.gz AQRGYMGEJVEBCF-MRXNPFEDSA-N -1 1 405.882 4.260 20 0 HIADMM Cc1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])ccc2o1 ZINC000436600405 861863857 /nfs/dbraw/zinc/86/38/57/861863857.db2.gz HNAIHFAMGICRDC-FQEVSTJZSA-N -1 1 415.449 4.238 20 0 HIADMM C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436607970 861867440 /nfs/dbraw/zinc/86/74/40/861867440.db2.gz SSJWUPNMXSMIMX-HTAPYJJXSA-N -1 1 402.494 4.070 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCC[C@@H](C)C3)cc2)ccc1F ZINC000033181654 848120894 /nfs/dbraw/zinc/12/08/94/848120894.db2.gz QYGIEWQCYSKHGN-KDOFPFPSSA-N -1 1 404.507 4.243 20 0 HIADMM C[C@H]1CCC[C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000033181506 848120981 /nfs/dbraw/zinc/12/09/81/848120981.db2.gz VURMRDRUPCRJKO-ZFWWWQNUSA-N -1 1 408.470 4.074 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2cccs2)cc1 ZINC000033203908 848124508 /nfs/dbraw/zinc/12/45/08/848124508.db2.gz QVOUCWMCLYUOPL-INIZCTEOSA-N -1 1 414.552 4.218 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)Cc3ccco3)cc2)cc1C ZINC000033207213 848125510 /nfs/dbraw/zinc/12/55/10/848125510.db2.gz OFJUCZNGLZELPD-QGZVFWFLSA-N -1 1 412.511 4.058 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N(CCO)Cc1cc(Br)ccc1F ZINC000436609959 861868512 /nfs/dbraw/zinc/86/85/12/861868512.db2.gz WTDRQJCEYPLXCO-UHFFFAOYSA-N -1 1 418.262 4.082 20 0 HIADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000436609199 861868661 /nfs/dbraw/zinc/86/86/61/861868661.db2.gz VQZNCAYEUWYYBV-HNNXBMFYSA-N -1 1 406.251 4.171 20 0 HIADMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1ccc(Br)cc1 ZINC000033424203 848134767 /nfs/dbraw/zinc/13/47/67/848134767.db2.gz KSRADQRELBRERG-SXGWCWSVSA-N -1 1 420.284 4.361 20 0 HIADMM COc1ccccc1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000033542444 848137122 /nfs/dbraw/zinc/13/71/22/848137122.db2.gz GARMQYZQGYPWBV-UHFFFAOYSA-N -1 1 407.451 4.213 20 0 HIADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(I)cc1 ZINC000033924071 848140168 /nfs/dbraw/zinc/14/01/68/848140168.db2.gz UQNWNCJUNPBICX-UHFFFAOYSA-N -1 1 407.660 4.054 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1Br)c1ccc(Br)s1 ZINC000036960537 848171687 /nfs/dbraw/zinc/17/16/87/848171687.db2.gz QCSWKOXMQGRRFJ-UHFFFAOYSA-N -1 1 415.103 4.213 20 0 HIADMM C[C@@H]1C[C@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCO1 ZINC000436634356 861877039 /nfs/dbraw/zinc/87/70/39/861877039.db2.gz KIQQABOHZOZPHQ-BXUZGUMPSA-N -1 1 423.296 4.249 20 0 HIADMM O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(Cl)cc1[O-] ZINC000436635618 861877459 /nfs/dbraw/zinc/87/74/59/861877459.db2.gz MVNHJEOOIAXHSE-UHFFFAOYSA-N -1 1 411.889 4.095 20 0 HIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000436637471 861877518 /nfs/dbraw/zinc/87/75/18/861877518.db2.gz WQHSXJKCCSJQSL-HNNXBMFYSA-N -1 1 401.482 4.447 20 0 HIADMM CC(C)[C@@H]1CCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436688521 861894283 /nfs/dbraw/zinc/89/42/83/861894283.db2.gz LMHNROGNUMRXNW-KRWDZBQOSA-N -1 1 417.303 4.278 20 0 HIADMM O=C(NCc1coc2ccccc12)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436677569 861891841 /nfs/dbraw/zinc/89/18/41/861891841.db2.gz XTJBLIKQHTULSZ-NRFANRHFSA-N -1 1 414.461 4.213 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccsc2)c1 ZINC000042971048 848370188 /nfs/dbraw/zinc/37/01/88/848370188.db2.gz OOBMUBBBLYOVHM-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2ccc3[nH]cnc3c2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436709967 861898524 /nfs/dbraw/zinc/89/85/24/861898524.db2.gz QAVAMCROPGPAIF-UHFFFAOYSA-N -1 1 408.364 4.051 20 0 HIADMM COc1ccc(C)cc1C1(CNC(=O)c2ccc3ccccc3c2[O-])CCOCC1 ZINC000436709209 861898640 /nfs/dbraw/zinc/89/86/40/861898640.db2.gz MRNBAPNYDBDXMJ-UHFFFAOYSA-N -1 1 405.494 4.341 20 0 HIADMM C[C@@H]1CC[C@@]2(CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])C2)C1 ZINC000436716502 861902227 /nfs/dbraw/zinc/90/22/27/861902227.db2.gz QAXGZWIAJCPDAA-IUBQTAPSSA-N -1 1 406.526 4.189 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)CCc3cccc(Cl)c3)n2)n[n-]c1=S ZINC000044543556 848568302 /nfs/dbraw/zinc/56/83/02/848568302.db2.gz DSYCXZZAYZUGBY-UHFFFAOYSA-N -1 1 419.963 4.399 20 0 HIADMM Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000436735341 861920013 /nfs/dbraw/zinc/92/00/13/861920013.db2.gz DYGQNXKYRVSFLV-OAHLLOKOSA-N -1 1 403.404 4.318 20 0 HIADMM O=C(NCC1=CCCOC1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436734394 861920577 /nfs/dbraw/zinc/92/05/77/861920577.db2.gz AIGRCWTYYKTMMP-UHFFFAOYSA-N -1 1 421.280 4.028 20 0 HIADMM O=C(COc1ccccc1NC(=O)c1cc2ccccc2cc1[O-])Nc1cccnc1 ZINC000436745147 861927836 /nfs/dbraw/zinc/92/78/36/861927836.db2.gz SIBUXYVMHMYWLM-UHFFFAOYSA-N -1 1 413.433 4.210 20 0 HIADMM CCOc1cc(-c2noc(-c3cc4c(s3)CCOC4)n2)cc(Br)c1[O-] ZINC000436754823 861940769 /nfs/dbraw/zinc/94/07/69/861940769.db2.gz KCDHYRJXJWAHFY-UHFFFAOYSA-N -1 1 423.288 4.405 20 0 HIADMM CN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])C1CCCC1 ZINC000436757843 861943530 /nfs/dbraw/zinc/94/35/30/861943530.db2.gz VHWJGRCTPNOZLQ-UHFFFAOYSA-N -1 1 417.303 4.422 20 0 HIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000436757045 861945784 /nfs/dbraw/zinc/94/57/84/861945784.db2.gz FYFVMWAOFXJYMD-OAHLLOKOSA-N -1 1 402.372 4.253 20 0 HIADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc4oc(C(C)C)nc4c3)ccc21 ZINC000046303835 848818851 /nfs/dbraw/zinc/81/88/51/848818851.db2.gz BHLZFAXVICIPPU-UHFFFAOYSA-N -1 1 413.499 4.051 20 0 HIADMM C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])c1ccon1 ZINC000436767244 861958121 /nfs/dbraw/zinc/95/81/21/861958121.db2.gz UHMLBYBYPCDFGP-JTQLQIEISA-N -1 1 420.252 4.430 20 0 HIADMM CCC(=O)Nc1ccc(C)c(NC(=O)Cn2c(-c3cccc(C)c3)n[n-]c2=S)c1 ZINC000047185502 849000274 /nfs/dbraw/zinc/00/02/74/849000274.db2.gz BPLHJBGWMYGXTR-UHFFFAOYSA-N -1 1 409.515 4.212 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000047285586 849019978 /nfs/dbraw/zinc/01/99/78/849019978.db2.gz JKLKNGYQWKHNAF-UHFFFAOYSA-N -1 1 410.499 4.452 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc4c(c3)OCCO4)n2)cc(Br)c1[O-] ZINC000436779763 861973372 /nfs/dbraw/zinc/97/33/72/861973372.db2.gz YELDUHBZZHBXHP-UHFFFAOYSA-N -1 1 419.231 4.042 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000047327684 849027045 /nfs/dbraw/zinc/02/70/45/849027045.db2.gz CHDCCOQFSVAJDI-UHFFFAOYSA-N -1 1 412.449 4.114 20 0 HIADMM Cc1ccc(SCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000047363386 849032402 /nfs/dbraw/zinc/03/24/02/849032402.db2.gz SCOWVUKQFOKUPF-OAHLLOKOSA-N -1 1 409.536 4.140 20 0 HIADMM Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccc(Br)cc4[O-])C3)nc2c1 ZINC000436789159 861981184 /nfs/dbraw/zinc/98/11/84/861981184.db2.gz CVBRSSCRPBJUOK-ZDUSSCGKSA-N -1 1 414.303 4.359 20 0 HIADMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(Br)cc4[O-])C3)[nH]c2c1 ZINC000436789159 861981199 /nfs/dbraw/zinc/98/11/99/861981199.db2.gz CVBRSSCRPBJUOK-ZDUSSCGKSA-N -1 1 414.303 4.359 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)c1 ZINC000436787096 861979197 /nfs/dbraw/zinc/97/91/97/861979197.db2.gz ZYVSLXWCINGEJK-HUUCEWRRSA-N -1 1 423.513 4.029 20 0 HIADMM Cc1noc(C2CC2)c1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436795881 861989153 /nfs/dbraw/zinc/98/91/53/861989153.db2.gz GQMJFVLHSWNOOU-UHFFFAOYSA-N -1 1 413.380 4.349 20 0 HIADMM CCOc1cc(-c2noc(-c3cnc4cnccc4c3)n2)cc(Br)c1[O-] ZINC000436795717 861989204 /nfs/dbraw/zinc/98/92/04/861989204.db2.gz ZXCNGBJUAHWEDF-UHFFFAOYSA-N -1 1 413.231 4.214 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000436796671 861989325 /nfs/dbraw/zinc/98/93/25/861989325.db2.gz WZUIOXUWYLAGAD-MRXNPFEDSA-N -1 1 414.658 4.161 20 0 HIADMM Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000048816595 849269870 /nfs/dbraw/zinc/26/98/70/849269870.db2.gz FDNMVYNAGUCXJS-INIZCTEOSA-N -1 1 419.506 4.011 20 0 HIADMM Cc1ccc(CCCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000048817527 849271748 /nfs/dbraw/zinc/27/17/48/849271748.db2.gz SMFUAOIAGYZDLX-QGZVFWFLSA-N -1 1 405.523 4.371 20 0 HIADMM Cc1cc2ccccc2n1CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817356 849271770 /nfs/dbraw/zinc/27/17/70/849271770.db2.gz NAIRVKJFGVTUBJ-INIZCTEOSA-N -1 1 416.506 4.003 20 0 HIADMM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])c1C ZINC000436817472 862000841 /nfs/dbraw/zinc/00/08/41/862000841.db2.gz HTNAGNSCHQQVOL-MRXNPFEDSA-N -1 1 424.444 4.182 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC=C(c3ccco3)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436817709 862001339 /nfs/dbraw/zinc/00/13/39/862001339.db2.gz SLPQBTNSQJNBPO-UHFFFAOYSA-N -1 1 424.403 4.445 20 0 HIADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000436819456 862002631 /nfs/dbraw/zinc/00/26/31/862002631.db2.gz NSLFUKKUBKXPDD-GOSISDBHSA-N -1 1 407.367 4.145 20 0 HIADMM O=C(c1cc(F)ccc1[O-])N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000436823158 862005313 /nfs/dbraw/zinc/00/53/13/862005313.db2.gz ZQKSRIHRFRWLGA-UHFFFAOYSA-N -1 1 408.267 4.115 20 0 HIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C(C1CC1)C1CC1 ZINC000050682586 849404555 /nfs/dbraw/zinc/40/45/55/849404555.db2.gz DZUWRAYDGUJSIE-UHFFFAOYSA-N -1 1 418.946 4.401 20 0 HIADMM CCOC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436835198 862014659 /nfs/dbraw/zinc/01/46/59/862014659.db2.gz URJTYBVKYOFUFK-NSHDSACASA-N -1 1 411.285 4.106 20 0 HIADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436839097 862017615 /nfs/dbraw/zinc/01/76/15/862017615.db2.gz OIRMGOUIUVBFQH-AWEZNQCLSA-N -1 1 400.425 4.351 20 0 HIADMM O=C(NC[C@H]1CCCCO1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436852644 862030435 /nfs/dbraw/zinc/03/04/35/862030435.db2.gz AWSMXKBKMUUNEX-CQSZACIVSA-N -1 1 423.296 4.250 20 0 HIADMM [O-]c1ccc(-c2noc(-c3cc(Br)cnc3OCC3CC3)n2)c(F)c1 ZINC000436869957 862046021 /nfs/dbraw/zinc/04/60/21/862046021.db2.gz CLTPMVQYZRIZKI-UHFFFAOYSA-N -1 1 406.211 4.195 20 0 HIADMM Cc1cccc(C2(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)CC2)c1 ZINC000053512265 849723538 /nfs/dbraw/zinc/72/35/38/849723538.db2.gz JQJSVNVLWZBUKG-UHFFFAOYSA-N -1 1 406.507 4.466 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(O[C@@H]4CCOC4)cc3)n2)cc(Cl)c1[O-] ZINC000436874013 862049891 /nfs/dbraw/zinc/04/98/91/862049891.db2.gz RUDRFOVECHSVPU-OAHLLOKOSA-N -1 1 402.834 4.329 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(O[C@H]4CCOC4)cc3)n2)cc(Cl)c1[O-] ZINC000436874011 862050199 /nfs/dbraw/zinc/05/01/99/862050199.db2.gz RUDRFOVECHSVPU-HNNXBMFYSA-N -1 1 402.834 4.329 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)s1 ZINC000053775897 849757523 /nfs/dbraw/zinc/75/75/23/849757523.db2.gz OUZPRZXSEAZHQS-UHFFFAOYSA-N -1 1 400.525 4.096 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc(OCCOC)cc3)n2)cc(Cl)c1[O-] ZINC000436876928 862054051 /nfs/dbraw/zinc/05/40/51/862054051.db2.gz CODPYJIWFNZRLQ-UHFFFAOYSA-N -1 1 404.850 4.110 20 0 HIADMM COc1cc(-c2noc(-c3ccnn3-c3ccccc3)n2)cc(Br)c1[O-] ZINC000436876793 862054921 /nfs/dbraw/zinc/05/49/21/862054921.db2.gz BEUNYMFALPPICK-UHFFFAOYSA-N -1 1 413.231 4.066 20 0 HIADMM COC(=O)Nc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000054034729 849803582 /nfs/dbraw/zinc/80/35/82/849803582.db2.gz ZKJVNZLOWUIRMA-UHFFFAOYSA-N -1 1 411.487 4.123 20 0 HIADMM CCOc1cc(-c2noc(-c3cccc4nccnc43)n2)cc(Br)c1[O-] ZINC000436890687 862068056 /nfs/dbraw/zinc/06/80/56/862068056.db2.gz GBJPRGMEFPZSSX-UHFFFAOYSA-N -1 1 413.231 4.214 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NNc3ccc(F)cc3)c2)c1 ZINC000055544091 850049960 /nfs/dbraw/zinc/04/99/60/850049960.db2.gz MCASWRFWSKIVOH-UHFFFAOYSA-N -1 1 413.474 4.000 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000055566062 850057314 /nfs/dbraw/zinc/05/73/14/850057314.db2.gz ODKZSNCKTHUHDZ-UHFFFAOYSA-N -1 1 404.532 4.065 20 0 HIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cc2)cs1 ZINC000055575842 850060680 /nfs/dbraw/zinc/06/06/80/850060680.db2.gz JQYKAHUVNKEAIH-UHFFFAOYSA-N -1 1 413.524 4.194 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)c2ccccc12 ZINC000055579707 850060890 /nfs/dbraw/zinc/06/08/90/850060890.db2.gz GEXIWAHIDODBBA-UHFFFAOYSA-N -1 1 404.875 4.261 20 0 HIADMM O=C(NC1CC1)c1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000055639453 850086612 /nfs/dbraw/zinc/08/66/12/850086612.db2.gz QEAFLKVFKZJQPF-UHFFFAOYSA-N -1 1 418.824 4.052 20 0 HIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000055648190 850093490 /nfs/dbraw/zinc/09/34/90/850093490.db2.gz YLTAZVBCCDTNFT-UHFFFAOYSA-N -1 1 415.490 4.093 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000055652348 850098084 /nfs/dbraw/zinc/09/80/84/850098084.db2.gz WHQXICCJWCGYSH-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000055657111 850101612 /nfs/dbraw/zinc/10/16/12/850101612.db2.gz RBLPPJWZQGEQNI-OAQYLSRUSA-N -1 1 410.470 4.044 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(Oc2cccnc2)cc1 ZINC000436917332 862097763 /nfs/dbraw/zinc/09/77/63/862097763.db2.gz XGTKGPDOEKZSKQ-UHFFFAOYSA-N -1 1 407.817 4.270 20 0 HIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc(Oc2cccnc2)cc1 ZINC000436917332 862097768 /nfs/dbraw/zinc/09/77/68/862097768.db2.gz XGTKGPDOEKZSKQ-UHFFFAOYSA-N -1 1 407.817 4.270 20 0 HIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccnc(OCc2ccccc2)c1 ZINC000436921186 862101417 /nfs/dbraw/zinc/10/14/17/862101417.db2.gz UXSGGKGMUWSMAZ-UHFFFAOYSA-N -1 1 421.844 4.057 20 0 HIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccnc(OCc2ccccc2)c1 ZINC000436921186 862101425 /nfs/dbraw/zinc/10/14/25/862101425.db2.gz UXSGGKGMUWSMAZ-UHFFFAOYSA-N -1 1 421.844 4.057 20 0 HIADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000055974608 850219319 /nfs/dbraw/zinc/21/93/19/850219319.db2.gz GCTQFEIVBURZAE-MRXNPFEDSA-N -1 1 410.326 4.103 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3nccs3)ccc2C)c1 ZINC000055977472 850221032 /nfs/dbraw/zinc/22/10/32/850221032.db2.gz FAXMFPUAMUXPIN-UHFFFAOYSA-N -1 1 415.540 4.132 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(COC(C)C)cc2)c1 ZINC000436952191 862131654 /nfs/dbraw/zinc/13/16/54/862131654.db2.gz IADGGCSROFJMPP-UHFFFAOYSA-N -1 1 409.442 4.118 20 0 HIADMM COc1cc(-c2nc(-c3cn4ccc(Br)cc4n3)no2)cc(Cl)c1[O-] ZINC000436954252 862133821 /nfs/dbraw/zinc/13/38/21/862133821.db2.gz FSXJFNMXVKEEGU-UHFFFAOYSA-N -1 1 421.638 4.181 20 0 HIADMM O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1)c1ccccc1 ZINC000436953730 862133931 /nfs/dbraw/zinc/13/39/31/862133931.db2.gz RRUYSKWJQZLDBX-OAHLLOKOSA-N -1 1 424.888 4.041 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)cc2F)c1 ZINC000436955024 862135988 /nfs/dbraw/zinc/13/59/88/862135988.db2.gz CETBAPSMKFLBKP-UHFFFAOYSA-N -1 1 413.405 4.120 20 0 HIADMM CCOc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1Cl ZINC000057039022 850537266 /nfs/dbraw/zinc/53/72/66/850537266.db2.gz VROODIJLKRLXNP-UHFFFAOYSA-N -1 1 418.906 4.307 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(F)F)c(F)c2)cc1 ZINC000057391676 850627442 /nfs/dbraw/zinc/62/74/42/850627442.db2.gz WSYVTECMHBTYCW-UHFFFAOYSA-N -1 1 408.405 4.295 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)N1CCCC1 ZINC000057465937 850645380 /nfs/dbraw/zinc/64/53/80/850645380.db2.gz WPMLANBLCKEKJR-UHFFFAOYSA-N -1 1 406.507 4.390 20 0 HIADMM Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cc(Br)ccc4[O-])C3)nc2c1 ZINC000436977975 862156793 /nfs/dbraw/zinc/15/67/93/862156793.db2.gz FWXQIQWAAIOCOT-ZDUSSCGKSA-N -1 1 414.303 4.359 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000058088755 850764508 /nfs/dbraw/zinc/76/45/08/850764508.db2.gz VBBAHTHNAKDZMQ-UHFFFAOYSA-N -1 1 410.470 4.138 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1(c2ccc(F)cc2)CC1 ZINC000058143312 850773006 /nfs/dbraw/zinc/77/30/06/850773006.db2.gz SSUBNAHXXHARDC-UHFFFAOYSA-N -1 1 410.470 4.297 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C)cc3O)c2)c1 ZINC000058190950 850779697 /nfs/dbraw/zinc/77/96/97/850779697.db2.gz MPOFNSPTLVVSDS-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2-n2cc(Br)cn2)c1 ZINC000058190639 850779780 /nfs/dbraw/zinc/77/97/80/850779780.db2.gz VASXRVJKNYXSPU-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM CCCCCNC(=O)C1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)CC1 ZINC000058205770 850780850 /nfs/dbraw/zinc/78/08/50/850780850.db2.gz VYRDVXOQFJIPRA-UHFFFAOYSA-N -1 1 407.628 4.039 20 0 HIADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCC(OCc2ccccc2)CC1 ZINC000058205237 850781075 /nfs/dbraw/zinc/78/10/75/850781075.db2.gz CQDVABHNRZFHHW-UHFFFAOYSA-N -1 1 400.573 4.232 20 0 HIADMM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058206586 850781329 /nfs/dbraw/zinc/78/13/29/850781329.db2.gz JGAWPLXWENDFBY-UHFFFAOYSA-N -1 1 401.517 4.147 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N([C@@H](C)C(C)C)C3CC3)c2)cc1 ZINC000058262951 850789065 /nfs/dbraw/zinc/78/90/65/850789065.db2.gz KFAJVGVLLLRGEV-KRWDZBQOSA-N -1 1 400.544 4.445 20 0 HIADMM CCOc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000058448029 850827909 /nfs/dbraw/zinc/82/79/09/850827909.db2.gz LVHZYLFENXMYDK-UHFFFAOYSA-N -1 1 414.458 4.278 20 0 HIADMM CCC(CC)[C@@H](CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)OC ZINC000437017268 862197766 /nfs/dbraw/zinc/19/77/66/862197766.db2.gz PVXJKSXVWWHZQN-OAQYLSRUSA-N -1 1 418.559 4.059 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)cc1OC ZINC000060059894 851035206 /nfs/dbraw/zinc/03/52/06/851035206.db2.gz GCBAXYPVVACYQS-UHFFFAOYSA-N -1 1 419.528 4.322 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(Br)o1 ZINC000060401304 851088119 /nfs/dbraw/zinc/08/81/19/851088119.db2.gz MIDMAFKLSOBYGX-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM Cc1ccc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060401346 851088190 /nfs/dbraw/zinc/08/81/90/851088190.db2.gz HGHMSDQJUFGKKN-UHFFFAOYSA-N -1 1 422.506 4.397 20 0 HIADMM CCc1ccccc1OCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060412045 851090903 /nfs/dbraw/zinc/09/09/03/851090903.db2.gz OICOUEBTAVYDBI-UHFFFAOYSA-N -1 1 424.522 4.376 20 0 HIADMM O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)[N-]C(=O)c1ccccc1 ZINC000061063607 851286379 /nfs/dbraw/zinc/28/63/79/851286379.db2.gz DWDNHUPAMFMCEX-OAQYLSRUSA-N -1 1 405.475 4.020 20 0 HIADMM CCN(CC)C(=O)c1ccccc1NC(=O)Cn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000061429177 851375100 /nfs/dbraw/zinc/37/51/00/851375100.db2.gz YKCLTONLPZVHFL-UHFFFAOYSA-N -1 1 423.542 4.037 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000062294650 851525486 /nfs/dbraw/zinc/52/54/86/851525486.db2.gz RHNSNFVHBMUMPO-LBPRGKRZSA-N -1 1 423.441 4.111 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(Br)c1 ZINC000062482195 851561657 /nfs/dbraw/zinc/56/16/57/851561657.db2.gz MXPVTUVHTPSGAU-UHFFFAOYSA-N -1 1 418.334 4.019 20 0 HIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000063178661 851628235 /nfs/dbraw/zinc/62/82/35/851628235.db2.gz ORJWJFINJHSFRD-UHFFFAOYSA-N -1 1 404.532 4.195 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OCCOC)c2)cc1 ZINC000063181567 851629177 /nfs/dbraw/zinc/62/91/77/851629177.db2.gz LBNSABJGVYYXEF-HNNXBMFYSA-N -1 1 406.504 4.196 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](C)CC3)cc2)c1C ZINC000063273896 851647880 /nfs/dbraw/zinc/64/78/80/851647880.db2.gz DHKDQGFBCBVDEN-INIZCTEOSA-N -1 1 400.544 4.366 20 0 HIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(Br)ccc2C)ccc1Cl ZINC000063443932 851691301 /nfs/dbraw/zinc/69/13/01/851691301.db2.gz CBHBEWDCLKPXJQ-UHFFFAOYSA-N -1 1 417.712 4.170 20 0 HIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1 ZINC000063442576 851691426 /nfs/dbraw/zinc/69/14/26/851691426.db2.gz NGAIDEKHLAJKIA-UHFFFAOYSA-N -1 1 418.540 4.335 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3csc(CC(C)C)n3)n2)n[n-]c1=S ZINC000063809546 851769617 /nfs/dbraw/zinc/76/96/17/851769617.db2.gz ZGZCPJOHOGYVHM-UHFFFAOYSA-N -1 1 420.589 4.081 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H]3C(C)C)c2)cc1 ZINC000063814809 851770560 /nfs/dbraw/zinc/77/05/60/851770560.db2.gz CRMOQWSWRUDFLP-OAQYLSRUSA-N -1 1 416.543 4.147 20 0 HIADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000064321304 851871312 /nfs/dbraw/zinc/87/13/12/851871312.db2.gz CZOQYQACRIOMDQ-UHFFFAOYSA-N -1 1 424.497 4.436 20 0 HIADMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1C ZINC000064381248 851883506 /nfs/dbraw/zinc/88/35/06/851883506.db2.gz WHSMGWXMOWQKMC-UHFFFAOYSA-N -1 1 424.588 4.146 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)cc1 ZINC000064477185 851907993 /nfs/dbraw/zinc/90/79/93/851907993.db2.gz CQLWNGFJKAPPSQ-UHFFFAOYSA-N -1 1 419.503 4.040 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)cc1 ZINC000064476985 851908089 /nfs/dbraw/zinc/90/80/89/851908089.db2.gz DQZUOHWPCNWFSB-UHFFFAOYSA-N -1 1 416.528 4.344 20 0 HIADMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cc([N+](=O)[O-])ccc1F ZINC000064679379 851952530 /nfs/dbraw/zinc/95/25/30/851952530.db2.gz KTZQNNDDLVAGHM-UHFFFAOYSA-N -1 1 402.451 4.306 20 0 HIADMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000065223844 852091148 /nfs/dbraw/zinc/09/11/48/852091148.db2.gz SZZFKTSXKLVXJX-UHFFFAOYSA-N -1 1 409.389 4.397 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCCc2cccs2)cc1 ZINC000065664289 852212482 /nfs/dbraw/zinc/21/24/82/852212482.db2.gz BWFVDORPMSQGQI-UHFFFAOYSA-N -1 1 401.509 4.257 20 0 HIADMM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000065832894 852275806 /nfs/dbraw/zinc/27/58/06/852275806.db2.gz JUUXNVAZGVWHQC-UHFFFAOYSA-N -1 1 401.887 4.222 20 0 HIADMM CCN(CC)C(=O)c1ccccc1NC(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000065879083 852299764 /nfs/dbraw/zinc/29/97/64/852299764.db2.gz UNCXPYYUOXOANZ-UHFFFAOYSA-N -1 1 423.542 4.037 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CC(C)C)c2)cc1C ZINC000065912578 852313672 /nfs/dbraw/zinc/31/36/72/852313672.db2.gz MMNPHXOBXDTHGI-UHFFFAOYSA-N -1 1 408.951 4.486 20 0 HIADMM O=C(N[N-]C(=O)c1ccc(-c2ccc(Br)cc2)s1)NC1CCCC1 ZINC000065919537 852316225 /nfs/dbraw/zinc/31/62/25/852316225.db2.gz PNYOKYQCBACROT-UHFFFAOYSA-N -1 1 408.321 4.064 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000066047336 852364789 /nfs/dbraw/zinc/36/47/89/852364789.db2.gz NPEZUEQMRJJJBT-UHFFFAOYSA-N -1 1 405.679 4.488 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1Br ZINC000070141528 852404468 /nfs/dbraw/zinc/40/44/68/852404468.db2.gz DBOADHURKRRFPT-UHFFFAOYSA-N -1 1 423.101 4.460 20 0 HIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1ccc(Br)o1 ZINC000071800380 852406610 /nfs/dbraw/zinc/40/66/10/852406610.db2.gz PHWNVPDIHSLOIN-UHFFFAOYSA-N -1 1 402.320 4.500 20 0 HIADMM Cc1ccncc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000078507432 852516707 /nfs/dbraw/zinc/51/67/07/852516707.db2.gz JVJZHVRHBQRXMG-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM COc1ccc(-c2nc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)sc2C)cc1 ZINC000097091316 852581952 /nfs/dbraw/zinc/58/19/52/852581952.db2.gz BLNYOUYAGUCDFQ-UHFFFAOYSA-N -1 1 412.515 4.069 20 0 HIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000097555305 852631310 /nfs/dbraw/zinc/63/13/10/852631310.db2.gz GNGBFDKTHWUHSU-UHFFFAOYSA-N -1 1 415.346 4.052 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4n[nH]cc4c3)c2)c1 ZINC000105600487 852717113 /nfs/dbraw/zinc/71/71/13/852717113.db2.gz HOGDNZKTOJRMNF-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000107667472 852785181 /nfs/dbraw/zinc/78/51/81/852785181.db2.gz RYFXIZMPBNGXJQ-UHFFFAOYSA-N -1 1 411.417 4.188 20 0 HIADMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)s1 ZINC000108258371 852833128 /nfs/dbraw/zinc/83/31/28/852833128.db2.gz GZNACVFCKKSJCW-UHFFFAOYSA-N -1 1 414.552 4.404 20 0 HIADMM COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])cc1F ZINC000108823488 852883518 /nfs/dbraw/zinc/88/35/18/852883518.db2.gz KFTQNHUSJPOKQX-UHFFFAOYSA-N -1 1 416.355 4.323 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(O)c(Cl)c3)cc2)cc1 ZINC000109013541 852908392 /nfs/dbraw/zinc/90/83/92/852908392.db2.gz GVYUPRBIUXNRBY-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM O=C(Nc1ccc(O)c(Cl)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000109013542 852908551 /nfs/dbraw/zinc/90/85/51/852908551.db2.gz BDJBKZNYVKBNTO-UHFFFAOYSA-N -1 1 402.859 4.099 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c(Cl)cc1F ZINC000109417426 852968661 /nfs/dbraw/zinc/96/86/61/852968661.db2.gz RQPIFVWGLDGHCD-UHFFFAOYSA-N -1 1 413.854 4.300 20 0 HIADMM CCCN(CC(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000109658651 852995919 /nfs/dbraw/zinc/99/59/19/852995919.db2.gz CCLCTQDLAOASSZ-UHFFFAOYSA-N -1 1 410.486 4.222 20 0 HIADMM O=C(NCCCOC1CCCCC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110012206 853046754 /nfs/dbraw/zinc/04/67/54/853046754.db2.gz YUIZXIFKSWUTRB-JOCHJYFZSA-N -1 1 424.541 4.006 20 0 HIADMM CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110013278 853046955 /nfs/dbraw/zinc/04/69/55/853046955.db2.gz PIKNBUZZCVRILX-OAQYLSRUSA-N -1 1 422.912 4.462 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc3c2ccn3C)cc1 ZINC000110533128 853113680 /nfs/dbraw/zinc/11/36/80/853113680.db2.gz RWABBHJLZPOYHU-UHFFFAOYSA-N -1 1 407.499 4.137 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000110546790 853116260 /nfs/dbraw/zinc/11/62/60/853116260.db2.gz BGTRPVQXRWHVKA-LJQANCHMSA-N -1 1 407.543 4.019 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCNc3ccccc3)c2)c1 ZINC000110741021 853147396 /nfs/dbraw/zinc/14/73/96/853147396.db2.gz YBPFXEFHVRVXHV-UHFFFAOYSA-N -1 1 423.538 4.028 20 0 HIADMM O=C(N[C@H]1CCSc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000115166183 853246746 /nfs/dbraw/zinc/24/67/46/853246746.db2.gz SAFXBAZOLIJEOE-FQEVSTJZSA-N -1 1 424.547 4.454 20 0 HIADMM O=C(N[C@@H]1CCSc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000115166182 853247188 /nfs/dbraw/zinc/24/71/88/853247188.db2.gz SAFXBAZOLIJEOE-HXUWFJFHSA-N -1 1 424.547 4.454 20 0 HIADMM CCOc1cc2c(cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)O[C@H](C)C2 ZINC000115528909 853252929 /nfs/dbraw/zinc/25/29/29/853252929.db2.gz ZBNOKWWPRYCIMC-LLVKDONJSA-N -1 1 416.528 4.030 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)C(C)C)cc1 ZINC000115657099 853257191 /nfs/dbraw/zinc/25/71/91/853257191.db2.gz YAGCXNRWFWQAJV-UHFFFAOYSA-N -1 1 423.538 4.242 20 0 HIADMM CC(C)[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000115906578 853271172 /nfs/dbraw/zinc/27/11/72/853271172.db2.gz HZKUZWVAVFJMCO-IBGZPJMESA-N -1 1 406.935 4.401 20 0 HIADMM Cc1ccc(Br)c([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000123905419 853369718 /nfs/dbraw/zinc/36/97/18/853369718.db2.gz QNBHSLRMQNTXMK-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000143211973 853509855 /nfs/dbraw/zinc/50/98/55/853509855.db2.gz HRLHTELPKMFBJJ-OALUTQOASA-N -1 1 408.527 4.069 20 0 HIADMM O=C(CCC(=O)c1cccs1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000143429642 853514810 /nfs/dbraw/zinc/51/48/10/853514810.db2.gz YCUGGTXJWXFUCG-UHFFFAOYSA-N -1 1 414.508 4.151 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1C ZINC000144947696 853543393 /nfs/dbraw/zinc/54/33/93/853543393.db2.gz HLWLFVCSCWKIKJ-UHFFFAOYSA-N -1 1 404.435 4.366 20 0 HIADMM Cc1nc(COc2ccc(F)cc2)sc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000195655820 853740483 /nfs/dbraw/zinc/74/04/83/853740483.db2.gz BOFBJTHPRAWDTQ-UHFFFAOYSA-N -1 1 400.407 4.211 20 0 HIADMM Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3[O-])cc2Cl)n1 ZINC000195722522 853778454 /nfs/dbraw/zinc/77/84/54/853778454.db2.gz DJRLGYIQBUOHOY-AWEZNQCLSA-N -1 1 412.877 4.311 20 0 HIADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(Br)ccc2[O-])c1 ZINC000215692097 853836022 /nfs/dbraw/zinc/83/60/22/853836022.db2.gz FRZOUQGMYUOMCB-MRXNPFEDSA-N -1 1 406.276 4.149 20 0 HIADMM CN(Cc1csc(Br)c1)C(=O)c1cc(Br)ccc1[O-] ZINC000218222374 853863138 /nfs/dbraw/zinc/86/31/38/853863138.db2.gz YUIKDHVRNVLHME-UHFFFAOYSA-N -1 1 405.111 4.251 20 0 HIADMM CC(C)OCCCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000228578018 853889446 /nfs/dbraw/zinc/88/94/46/853889446.db2.gz ZPAXFUXDIAPBMY-UHFFFAOYSA-N -1 1 419.168 4.239 20 0 HIADMM O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(F)cc1Br ZINC000230697105 853896060 /nfs/dbraw/zinc/89/60/60/853896060.db2.gz DYQIPVIYHIELSH-UHFFFAOYSA-N -1 1 415.067 4.401 20 0 HIADMM Cc1nc(-c2ccc(NCc3cccc(NC(=O)CC(C)C)c3)nc2)[n-]c(=O)c1C ZINC000301332957 854361918 /nfs/dbraw/zinc/36/19/18/854361918.db2.gz BXKDQLPHHVCZEQ-UHFFFAOYSA-N -1 1 405.502 4.458 20 0 HIADMM Cc1nc(-c2ccc(N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)nc2)[n-]c(=O)c1C ZINC000301412170 854386596 /nfs/dbraw/zinc/38/65/96/854386596.db2.gz PQKZFCYDOLWETK-GOSISDBHSA-N -1 1 414.868 4.231 20 0 HIADMM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccco1 ZINC000437302510 862560900 /nfs/dbraw/zinc/56/09/00/862560900.db2.gz HHONNMZUDIWHPD-UHFFFAOYSA-N -1 1 416.393 4.206 20 0 HIADMM Cc1nc(-c2ccc(NC[C@H](C)c3nc(-c4ccccc4)no3)nc2)[n-]c(=O)c1C ZINC000301894120 854487114 /nfs/dbraw/zinc/48/71/14/854487114.db2.gz WTUFULAZNCYFJT-ZDUSSCGKSA-N -1 1 402.458 4.127 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC(C)C)CC(C)C)c2)cc1 ZINC000301946507 854500912 /nfs/dbraw/zinc/50/09/12/854500912.db2.gz SNIADULTWRCMMY-UHFFFAOYSA-N -1 1 418.559 4.250 20 0 HIADMM Clc1ccc(-c2cn3nc([N-]c4cnn(C[C@@H]5CCCO5)c4)sc3n2)cc1 ZINC000302507868 854577847 /nfs/dbraw/zinc/57/78/47/854577847.db2.gz NGWJEUTUEFKENU-HNNXBMFYSA-N -1 1 400.895 4.230 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C(C)C)[nH]n3)cc2)c1 ZINC000302946940 854691689 /nfs/dbraw/zinc/69/16/89/854691689.db2.gz BJLMUQUFSUESET-UHFFFAOYSA-N -1 1 412.515 4.203 20 0 HIADMM CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1 ZINC000303236734 854830084 /nfs/dbraw/zinc/83/00/84/854830084.db2.gz XSUTWGVVEWXMQV-UHFFFAOYSA-N -1 1 404.532 4.035 20 0 HIADMM CCOc1cc(F)ccc1NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000303257367 854838730 /nfs/dbraw/zinc/83/87/30/854838730.db2.gz OONJSZPAMCGZDW-UHFFFAOYSA-N -1 1 400.479 4.483 20 0 HIADMM CCCO[C@@H]1CCCN(C(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)CC1 ZINC000303423003 854924700 /nfs/dbraw/zinc/92/47/00/854924700.db2.gz YZEURBMSGOTKBL-GOSISDBHSA-N -1 1 402.564 4.114 20 0 HIADMM CSc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)o1 ZINC000303428262 854930010 /nfs/dbraw/zinc/93/00/10/854930010.db2.gz CQFYAZGDWHKJOM-UHFFFAOYSA-N -1 1 406.460 4.194 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccn3)cc2)cc1C ZINC000303509349 854998719 /nfs/dbraw/zinc/99/87/19/854998719.db2.gz BWYSBUHPPJYGLU-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@@H](C)C[C@H]3C)cc2)cc1 ZINC000303557300 855038487 /nfs/dbraw/zinc/03/84/87/855038487.db2.gz JVRPHAIMQHLLOU-WHSLLNHNSA-N -1 1 416.543 4.051 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)ccc1F ZINC000303773531 855189691 /nfs/dbraw/zinc/18/96/91/855189691.db2.gz JRWBWRQJKICJBG-UHFFFAOYSA-N -1 1 420.506 4.434 20 0 HIADMM CSCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000303779427 855193843 /nfs/dbraw/zinc/19/38/43/855193843.db2.gz ODHHBMVSMJDQSU-INIZCTEOSA-N -1 1 420.600 4.318 20 0 HIADMM COc1cccc(-c2ccc(CNC(=O)CCc3c(C)nc(SC)[n-]c3=O)cc2)c1 ZINC000303992437 855338698 /nfs/dbraw/zinc/33/86/98/855338698.db2.gz IXWWMLAKXVSOGH-UHFFFAOYSA-N -1 1 423.538 4.137 20 0 HIADMM O=S(=O)([N-]Cc1cc(Cl)sc1Cl)c1sccc1Br ZINC000312769575 855372951 /nfs/dbraw/zinc/37/29/51/855372951.db2.gz PUZQEZYDONEHRG-UHFFFAOYSA-N -1 1 407.163 4.357 20 0 HIADMM O=S(=O)([N-]c1c(Cl)cccc1C(F)(F)F)c1cncc(Br)c1 ZINC000315404838 855377728 /nfs/dbraw/zinc/37/77/28/855377728.db2.gz SYRGMJIZVHZOMP-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)ccnc1Cl ZINC000318716043 855384084 /nfs/dbraw/zinc/38/40/84/855384084.db2.gz OVCARWBHEFLZGK-UHFFFAOYSA-N -1 1 405.701 4.005 20 0 HIADMM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C)cnc1Cl ZINC000318882458 855384407 /nfs/dbraw/zinc/38/44/07/855384407.db2.gz OMLTZCRGNSRSKV-UHFFFAOYSA-N -1 1 405.701 4.005 20 0 HIADMM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc(Cl)c(Br)c1 ZINC000322920329 855393098 /nfs/dbraw/zinc/39/30/98/855393098.db2.gz KPQASDQBIDEWIS-UHFFFAOYSA-N -1 1 412.696 4.089 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cc1OC ZINC000323702174 855396483 /nfs/dbraw/zinc/39/64/83/855396483.db2.gz KZFPKZIJDGIKCF-UHFFFAOYSA-N -1 1 420.712 4.229 20 0 HIADMM CCc1cccc(CC)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000391776713 855460840 /nfs/dbraw/zinc/46/08/40/855460840.db2.gz UUGZCSOEGXONSU-UHFFFAOYSA-N -1 1 412.305 4.073 20 0 HIADMM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1ccc(Br)c(F)c1 ZINC000392356783 855464280 /nfs/dbraw/zinc/46/42/80/855464280.db2.gz OAXKYKSNTUNSHB-UHFFFAOYSA-N -1 1 417.275 4.128 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3ccsc32)c(Br)c1 ZINC000395264012 855471062 /nfs/dbraw/zinc/47/10/62/855471062.db2.gz FGBQKVBVZWTEAV-UHFFFAOYSA-N -1 1 412.286 4.163 20 0 HIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)c1OC ZINC000409539040 855531544 /nfs/dbraw/zinc/53/15/44/855531544.db2.gz YYRPLOKKBPGJSV-UHFFFAOYSA-N -1 1 401.463 4.273 20 0 HIADMM CCCc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n[nH]1 ZINC000409745164 855632313 /nfs/dbraw/zinc/63/23/13/855632313.db2.gz LUADNTXVZWBZFH-UHFFFAOYSA-N -1 1 418.906 4.069 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc1C ZINC000409866698 855695657 /nfs/dbraw/zinc/69/56/57/855695657.db2.gz MMLRSZSNOJTWCB-UHFFFAOYSA-N -1 1 416.543 4.175 20 0 HIADMM C[C@@H](CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000410222526 855868158 /nfs/dbraw/zinc/86/81/58/855868158.db2.gz ZSAGJAPEZBFGPH-SFHVURJKSA-N -1 1 408.523 4.411 20 0 HIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)nc3)c2)n1 ZINC000410330818 855933042 /nfs/dbraw/zinc/93/30/42/855933042.db2.gz QHHREWMMIJRUCL-UHFFFAOYSA-N -1 1 414.556 4.305 20 0 HIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1csc([C@H]2CCCO2)n1 ZINC000426283197 856219921 /nfs/dbraw/zinc/21/99/21/856219921.db2.gz MPVXDCXABQJPQN-CYBMUJFWSA-N -1 1 406.920 4.343 20 0 HIADMM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1ccc(-c2cccc(Br)c2)o1 ZINC000426644300 856390194 /nfs/dbraw/zinc/39/01/94/856390194.db2.gz BZRRDDKCEQSRQN-SFHVURJKSA-N -1 1 416.271 4.200 20 0 HIADMM O=C([O-])C[C@H](NCc1cccc(OCC(F)(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000426719682 856432947 /nfs/dbraw/zinc/43/29/47/856432947.db2.gz IQNISOBOUYJWDZ-IBGZPJMESA-N -1 1 419.403 4.119 20 0 HIADMM O=C([O-])C[C@@H](NCc1ccc(Br)s1)c1cnn(-c2ccccc2)c1 ZINC000426731393 856440368 /nfs/dbraw/zinc/44/03/68/856440368.db2.gz OWUSTKIFILFXTB-OAHLLOKOSA-N -1 1 406.305 4.002 20 0 HIADMM O=C([O-])[C@H](CN1CCCCC1)NCc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000426741224 856445480 /nfs/dbraw/zinc/44/54/80/856445480.db2.gz DSNHUOOCOQCJLT-HNNXBMFYSA-N -1 1 414.358 4.146 20 0 HIADMM O=C([O-])[C@@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1F ZINC000426780416 856474522 /nfs/dbraw/zinc/47/45/22/856474522.db2.gz RNIQVQZEZNIQLU-SFHVURJKSA-N -1 1 407.367 4.005 20 0 HIADMM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1c(C)nn(-c2cccc(Cl)c2)c1C ZINC000426802843 856486614 /nfs/dbraw/zinc/48/66/14/856486614.db2.gz YDWVNZWENCSYPA-NRFANRHFSA-N -1 1 413.905 4.375 20 0 HIADMM O=C([O-])[C@H](NCc1ccc(F)cc1Br)c1ccc(Br)cc1 ZINC000426804598 856488142 /nfs/dbraw/zinc/48/81/42/856488142.db2.gz VBCMMAHACSLQPI-CQSZACIVSA-N -1 1 417.072 4.266 20 0 HIADMM Cn1c(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)nc2ccc(Cl)cc21 ZINC000426805714 856489299 /nfs/dbraw/zinc/48/92/99/856489299.db2.gz DZXOFNPVWIRLAO-OAHLLOKOSA-N -1 1 422.710 4.295 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)N4CCCCC4)c3)cc2s1 ZINC000427099198 856636193 /nfs/dbraw/zinc/63/61/93/856636193.db2.gz FSSDIZAIJYEGLK-UHFFFAOYSA-N -1 1 415.540 4.032 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000427103832 856639470 /nfs/dbraw/zinc/63/94/70/856639470.db2.gz LDGRDYPESPUQOU-FQEVSTJZSA-N -1 1 408.546 4.034 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(NC(=O)CC(C)C)cc3)cc2s1 ZINC000427129472 856657678 /nfs/dbraw/zinc/65/76/78/856657678.db2.gz XSYHYUZWTWPQSP-UHFFFAOYSA-N -1 1 403.529 4.390 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(OCc4ccncc4)cc3)cc2s1 ZINC000427199908 856709248 /nfs/dbraw/zinc/70/92/48/856709248.db2.gz WLSNTSVJWMNZIK-UHFFFAOYSA-N -1 1 411.508 4.380 20 0 HIADMM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC000437467628 862830065 /nfs/dbraw/zinc/83/00/65/862830065.db2.gz AFPWRBDAFHWHDK-MGPUTAFESA-N -1 1 420.513 4.386 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc4nc(C)sc4c3)cc2)o1 ZINC000427257558 856740148 /nfs/dbraw/zinc/74/01/48/856740148.db2.gz PZZIVRWTODKQOF-UHFFFAOYSA-N -1 1 400.485 4.018 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(OC4CCOCC4)c(C)c3)cc2s1 ZINC000427268766 856744050 /nfs/dbraw/zinc/74/40/50/856744050.db2.gz DCASTWIPAOGFIZ-UHFFFAOYSA-N -1 1 418.540 4.272 20 0 HIADMM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(-c3ccc([O-])cn3)nc(=O)c12 ZINC000427441533 856821658 /nfs/dbraw/zinc/82/16/58/856821658.db2.gz BCHDJVKDFMZGGS-UHFFFAOYSA-N -1 1 406.467 4.342 20 0 HIADMM COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ncc(C)cc1[O-])CCO2 ZINC000427514529 856846532 /nfs/dbraw/zinc/84/65/32/856846532.db2.gz OHLYHAOTTYCYAS-FQEVSTJZSA-N -1 1 404.466 4.270 20 0 HIADMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc(SC)[n-]c2=O)o1 ZINC000437487278 862844614 /nfs/dbraw/zinc/84/46/14/862844614.db2.gz YUCAUYMIWBDIGV-SUMWQHHRSA-N -1 1 403.548 4.300 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nc4cc(F)ccc4[nH]3)c2)cc1 ZINC000428048768 857054820 /nfs/dbraw/zinc/05/48/20/857054820.db2.gz KVMLGBCFXQNOHB-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000428388172 857186362 /nfs/dbraw/zinc/18/63/62/857186362.db2.gz MAWDUUHKRBDKGA-CQSZACIVSA-N -1 1 414.575 4.143 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000428522687 857240023 /nfs/dbraw/zinc/24/00/23/857240023.db2.gz NXNUPHDNHPPCKT-IFXJQAMLSA-N -1 1 404.919 4.155 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000428536552 857250003 /nfs/dbraw/zinc/25/00/03/857250003.db2.gz JOAIHFMKCIRHBH-DNVCBOLYSA-N -1 1 418.946 4.464 20 0 HIADMM Cc1cc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)ccc1-c1ccccc1 ZINC000428573406 857269258 /nfs/dbraw/zinc/26/92/58/857269258.db2.gz KOSIGMKYBVOMSX-UHFFFAOYSA-N -1 1 424.504 4.387 20 0 HIADMM CC(C)c1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000429850372 857909669 /nfs/dbraw/zinc/90/96/69/857909669.db2.gz JQZOOHLRYAWDFX-UHFFFAOYSA-N -1 1 409.758 4.161 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3cccc(O)c3)c2)c1 ZINC000430229893 858089860 /nfs/dbraw/zinc/08/98/60/858089860.db2.gz WBCDACIWIBEEKM-QGZVFWFLSA-N -1 1 424.522 4.301 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3-c3ncc4n3CCCC4)ccc2O1 ZINC000430375627 858139174 /nfs/dbraw/zinc/13/91/74/858139174.db2.gz YOLSBGDWCKLNDF-OAHLLOKOSA-N -1 1 409.511 4.011 20 0 HIADMM CC(C)Cn1ccnc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430638101 858243233 /nfs/dbraw/zinc/24/32/33/858243233.db2.gz CDGBSRMQQPTGBH-UHFFFAOYSA-N -1 1 423.698 4.049 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc(OC)c1C ZINC000431162562 858480024 /nfs/dbraw/zinc/48/00/24/858480024.db2.gz SYAHHVAMIYRQJJ-UHFFFAOYSA-N -1 1 407.822 4.068 20 0 HIADMM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1c(Cl)cccc1C(F)(F)F ZINC000431283501 858546032 /nfs/dbraw/zinc/54/60/32/858546032.db2.gz YXJLFIKDZDHUOW-UHFFFAOYSA-N -1 1 407.845 4.149 20 0 HIADMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3cc(Cl)ccc3F)n2)cc1 ZINC000431309061 858556776 /nfs/dbraw/zinc/55/67/76/858556776.db2.gz XMTAGLUWUZMEFX-GFCCVEGCSA-N -1 1 423.897 4.272 20 0 HIADMM CCc1nc(CC(=O)Nc2cc([O-])c(Br)cc2Br)cs1 ZINC000431443051 858617751 /nfs/dbraw/zinc/61/77/51/858617751.db2.gz CXIKOMTYUUZCRV-UHFFFAOYSA-N -1 1 420.126 4.117 20 0 HIADMM O=C(Cc1cc(F)ccc1F)Nc1cc([O-])c(Br)cc1Br ZINC000431443431 858619031 /nfs/dbraw/zinc/61/90/31/858619031.db2.gz GWILMQCHHVULND-UHFFFAOYSA-N -1 1 421.035 4.377 20 0 HIADMM O=C(COC1CCCCC1)Nc1cc([O-])c(Br)cc1Br ZINC000431452817 858623711 /nfs/dbraw/zinc/62/37/11/858623711.db2.gz PZJGSPXKSOIWNQ-UHFFFAOYSA-N -1 1 407.102 4.205 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1c(F)cccc1F ZINC000431461831 858628463 /nfs/dbraw/zinc/62/84/63/858628463.db2.gz VXRTXVNBQIVWLY-UHFFFAOYSA-N -1 1 407.008 4.448 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)c1nc(C2CC2)no1 ZINC000431826366 858829223 /nfs/dbraw/zinc/82/92/23/858829223.db2.gz WHOGYYKEZCFHRI-OAHLLOKOSA-N -1 1 411.936 4.491 20 0 HIADMM Cc1nsc(C)c1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000432006282 858919994 /nfs/dbraw/zinc/91/99/94/858919994.db2.gz IWRSVVPEBCVSOH-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM COc1cccc2c1[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c3ccccc3)c1)CC2 ZINC000432006548 858921241 /nfs/dbraw/zinc/92/12/41/858921241.db2.gz KODHSSOPJLPPFS-HXUWFJFHSA-N -1 1 422.506 4.165 20 0 HIADMM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000432067937 858964474 /nfs/dbraw/zinc/96/44/74/858964474.db2.gz SGOKZKVSBLIJBX-UHFFFAOYSA-N -1 1 423.899 4.345 20 0 HIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccc3COCc3ccccc3)ccc2[nH]1 ZINC000432183143 859035248 /nfs/dbraw/zinc/03/52/48/859035248.db2.gz VOCNZRZIKMMKJR-UHFFFAOYSA-N -1 1 420.490 4.046 20 0 HIADMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3F)cccc21 ZINC000432456535 859171681 /nfs/dbraw/zinc/17/16/81/859171681.db2.gz WVVUKWBQIJOZFT-OAHLLOKOSA-N -1 1 418.412 4.031 20 0 HIADMM COc1ccc(F)c(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)c1OC ZINC000432626206 859259983 /nfs/dbraw/zinc/25/99/83/859259983.db2.gz HAJIJMMXOGGBFE-AWEZNQCLSA-N -1 1 413.474 4.415 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccnc(C)c4)no3)cc2)cc1 ZINC000432692834 859298427 /nfs/dbraw/zinc/29/84/27/859298427.db2.gz MANWDBMYYLAHOP-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3ccc(Br)cc3n2)[n-]c1=O ZINC000432704530 859306449 /nfs/dbraw/zinc/30/64/49/859306449.db2.gz DEXVBSUQEBDNPB-DHZHZOJOSA-N -1 1 414.259 4.230 20 0 HIADMM COc1ccc(NC(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)cc1[N-]S(C)(=O)=O ZINC000433013626 859478278 /nfs/dbraw/zinc/47/82/78/859478278.db2.gz OKQMLRHCZPRKHY-LJQANCHMSA-N -1 1 423.510 4.067 20 0 HIADMM CCC[C@H](NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1)c1nn[n-]n1 ZINC000467643251 881438647 /nfs/dbraw/zinc/43/86/47/881438647.db2.gz HDBVVOQNKLQBSR-INIZCTEOSA-N -1 1 412.563 4.350 20 0 HIADMM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433636430 859819131 /nfs/dbraw/zinc/81/91/31/859819131.db2.gz YJEQHYAJIPZCAZ-ZETCQYMHSA-N -1 1 400.772 4.135 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3OC)cc2)c1 ZINC000433808355 859904739 /nfs/dbraw/zinc/90/47/39/859904739.db2.gz PBGICJRBMQIZPC-UHFFFAOYSA-N -1 1 410.495 4.311 20 0 HIADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3ccc(C4CC4)c(C)c3)c2)n1 ZINC000433834109 859921518 /nfs/dbraw/zinc/92/15/18/859921518.db2.gz RJKWQHXQFGRQKK-UHFFFAOYSA-N -1 1 419.485 4.156 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccoc1Cl ZINC000434025309 860047146 /nfs/dbraw/zinc/04/71/46/860047146.db2.gz MMSXZPZYXGUPNE-UHFFFAOYSA-N -1 1 412.801 4.264 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCSC(C)(C)C2)c1 ZINC000434376425 860322070 /nfs/dbraw/zinc/32/20/70/860322070.db2.gz DFZAEANDRFSBTD-UHFFFAOYSA-N -1 1 418.584 4.072 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(Sc3ccncc3)cc2)c(=O)[n-]1 ZINC000435375065 860772485 /nfs/dbraw/zinc/77/24/85/860772485.db2.gz LDGYQWKFGYTLIH-UHFFFAOYSA-N -1 1 412.540 4.330 20 0 HIADMM CC(C)CC(C)(C)CNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000435507811 860827318 /nfs/dbraw/zinc/82/73/18/860827318.db2.gz OWKVNXKJSMDNKT-UHFFFAOYSA-N -1 1 417.575 4.359 20 0 HIADMM C[C@@H]1[C@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@H]1c1ccccc1 ZINC000435525390 860841333 /nfs/dbraw/zinc/84/13/33/860841333.db2.gz DFGKBPPUXZCZIM-USCONSEESA-N -1 1 406.507 4.476 20 0 HIADMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)s1 ZINC000467773550 881592583 /nfs/dbraw/zinc/59/25/83/881592583.db2.gz SNQINVZJQUAYFB-UHFFFAOYSA-N -1 1 401.966 4.182 20 0 HIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(Br)c(Cl)c1F ZINC000435630582 860927326 /nfs/dbraw/zinc/92/73/26/860927326.db2.gz XMZXRYYGGXTWIH-UHFFFAOYSA-N -1 1 404.570 4.364 20 0 HIADMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)C(F)(F)F ZINC000438047370 863411370 /nfs/dbraw/zinc/41/13/70/863411370.db2.gz JEKHNYOCZQILFM-SECBINFHSA-N -1 1 424.803 4.417 20 0 HIADMM CSC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438058544 863429814 /nfs/dbraw/zinc/42/98/14/863429814.db2.gz MGNPZXQKGNJMRT-NSHDSACASA-N -1 1 416.927 4.218 20 0 HIADMM CC1(C)CCCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000438378186 863835855 /nfs/dbraw/zinc/83/58/55/863835855.db2.gz MTGPYUVMEIXUOR-UHFFFAOYSA-N -1 1 404.507 4.279 20 0 HIADMM O=C(N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1[O-] ZINC000438460769 863882826 /nfs/dbraw/zinc/88/28/26/863882826.db2.gz XWPXQDHJOOPWLF-KRWDZBQOSA-N -1 1 412.371 4.202 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCC(C)(C)C2)cc1 ZINC000438507894 863932466 /nfs/dbraw/zinc/93/24/66/863932466.db2.gz KZJOCOUNPJKVFR-UHFFFAOYSA-N -1 1 400.544 4.448 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1OC ZINC000438735087 864221346 /nfs/dbraw/zinc/22/13/46/864221346.db2.gz ZBJADNQFFFHBCE-UHFFFAOYSA-N -1 1 400.456 4.000 20 0 HIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)c2)o1 ZINC000438757252 864250389 /nfs/dbraw/zinc/25/03/89/864250389.db2.gz RSDVCMFVCVJBMC-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1Br ZINC000438768859 864263705 /nfs/dbraw/zinc/26/37/05/864263705.db2.gz VGPOBQDRXZOCSR-UHFFFAOYSA-N -1 1 412.305 4.097 20 0 HIADMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC000438777725 864271326 /nfs/dbraw/zinc/27/13/26/864271326.db2.gz QCHGNZCQTAALSN-UHFFFAOYSA-N -1 1 404.513 4.166 20 0 HIADMM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438790973 864282587 /nfs/dbraw/zinc/28/25/87/864282587.db2.gz BCUNPNCZPAWPEG-AWEZNQCLSA-N -1 1 404.507 4.115 20 0 HIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1noc(-c2ccccc2C)n1 ZINC000438881675 864368413 /nfs/dbraw/zinc/36/84/13/864368413.db2.gz HDROKYZYDXSEHD-UHFFFAOYSA-N -1 1 417.874 4.232 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)C3(C)CC3)cc2)cc1C ZINC000439018828 864469732 /nfs/dbraw/zinc/46/97/32/864469732.db2.gz FEVHPPDYXUONNE-QGZVFWFLSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)C3(C)CC3)cc2)c1C ZINC000439025523 864481275 /nfs/dbraw/zinc/48/12/75/864481275.db2.gz SCILGCJVQKDTHE-KRWDZBQOSA-N -1 1 400.544 4.365 20 0 HIADMM C[C@@H](N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1(C)CC1 ZINC000439026995 864483806 /nfs/dbraw/zinc/48/38/06/864483806.db2.gz NFWVURGAIWNYPC-CQSZACIVSA-N -1 1 406.935 4.401 20 0 HIADMM Cc1nc2sc(-c3ccccc3)cc2c(Oc2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC000439128253 864563002 /nfs/dbraw/zinc/56/30/02/864563002.db2.gz NDTCECLOUGVLBI-UHFFFAOYSA-N -1 1 412.496 4.226 20 0 HIADMM C[C@@H](Sc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1 ZINC000439574846 864896208 /nfs/dbraw/zinc/89/62/08/864896208.db2.gz VEZUHFGIVOMMHU-OAHLLOKOSA-N -1 1 412.536 4.440 20 0 HIADMM Cc1cscc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000439601884 864925265 /nfs/dbraw/zinc/92/52/65/864925265.db2.gz BSYDYXMFYRKTMO-UHFFFAOYSA-N -1 1 404.488 4.178 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@H](C)[C@@H]2C)c1 ZINC000439797530 865117456 /nfs/dbraw/zinc/11/74/56/865117456.db2.gz ANBHTSXMXHYTEV-HOCLYGCPSA-N -1 1 404.507 4.196 20 0 HIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@H](C)[C@H]2C)c1 ZINC000439797527 865117495 /nfs/dbraw/zinc/11/74/95/865117495.db2.gz ANBHTSXMXHYTEV-GOEBONIOSA-N -1 1 404.507 4.196 20 0 HIADMM O=S(=O)([N-]c1cccc2c1CN(CC(F)(F)F)C2)c1ccc2c(c1)CCCC2 ZINC000440076600 865341640 /nfs/dbraw/zinc/34/16/40/865341640.db2.gz VDSQQECHWZQKON-UHFFFAOYSA-N -1 1 410.461 4.244 20 0 HIADMM Cc1ccc(CC[C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])o1 ZINC000440281677 865533347 /nfs/dbraw/zinc/53/33/47/865533347.db2.gz KOQIEBGBJOPCRN-KSFYIVLOSA-N -1 1 420.509 4.189 20 0 HIADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000440291645 865543222 /nfs/dbraw/zinc/54/32/22/865543222.db2.gz IUSBWENRSXGXHZ-INIZCTEOSA-N -1 1 422.912 4.114 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC[C@@H]3CC[C@H](C)O3)ccc2C)c1 ZINC000440383969 865675081 /nfs/dbraw/zinc/67/50/81/865675081.db2.gz ICOQMMNRDPZVHS-PXNSSMCTSA-N -1 1 416.543 4.390 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)c1 ZINC000440404101 865695018 /nfs/dbraw/zinc/69/50/18/865695018.db2.gz HGXHXCKSYZYUEL-AEFFLSMTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)c2)c1 ZINC000440403722 865695208 /nfs/dbraw/zinc/69/52/08/865695208.db2.gz ACDQIVDRIZEHBX-WMZOPIPTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)CC[C@@H]3C)ccc2C)cc1 ZINC000440404355 865696295 /nfs/dbraw/zinc/69/62/95/865696295.db2.gz FWCRSPZPIIXUFN-WMZOPIPTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)CC[C@H]3C)cc2)c1 ZINC000440404103 865697174 /nfs/dbraw/zinc/69/71/74/865697174.db2.gz HGXHXCKSYZYUEL-FUHWJXTLSA-N -1 1 400.544 4.365 20 0 HIADMM CSc1ccc(-c2nsc([N-]C(=O)c3cn(-c4cccc(C)c4)nn3)n2)cc1 ZINC000440472051 865777257 /nfs/dbraw/zinc/77/72/57/865777257.db2.gz JDBDFPJKSXMTEB-UHFFFAOYSA-N -1 1 408.512 4.068 20 0 HIADMM Cc1ccc(NC(=O)C2CC(F)(F)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000440527912 865805153 /nfs/dbraw/zinc/80/51/53/865805153.db2.gz RBYMBWQTAHLDPC-UHFFFAOYSA-N -1 1 414.861 4.433 20 0 HIADMM Cc1ccc(Oc2ccccc2)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1 ZINC000440627617 865846427 /nfs/dbraw/zinc/84/64/27/865846427.db2.gz QHWITMAUVUOTMM-UHFFFAOYSA-N -1 1 402.410 4.097 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000440629779 865847467 /nfs/dbraw/zinc/84/74/67/865847467.db2.gz OEYJMUQPNHRGRX-BEFAXECRSA-N -1 1 406.486 4.078 20 0 HIADMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)n1 ZINC000441727400 866822542 /nfs/dbraw/zinc/82/25/42/866822542.db2.gz JXBUZNQXMYSWQA-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000468163112 882033058 /nfs/dbraw/zinc/03/30/58/882033058.db2.gz DGTNEQKYRFRABH-QGZVFWFLSA-N -1 1 415.559 4.388 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc(C)c1Cl ZINC000442218795 867244712 /nfs/dbraw/zinc/24/47/12/867244712.db2.gz FOUUPNAIHCHCQK-UHFFFAOYSA-N -1 1 420.840 4.050 20 0 HIADMM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000442393858 867376599 /nfs/dbraw/zinc/37/65/99/867376599.db2.gz QLOUVEUEMYYPAM-OAHLLOKOSA-N -1 1 413.524 4.002 20 0 HIADMM COc1cc(C(=O)NCc2ccc(OCCC(C)C)c(OC)c2)cc(Cl)c1[O-] ZINC000442876777 867708597 /nfs/dbraw/zinc/70/85/97/867708597.db2.gz WAIAIAWETRFHFU-UHFFFAOYSA-N -1 1 407.894 4.418 20 0 HIADMM COc1cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc(Cl)c1[O-] ZINC000442980963 867776368 /nfs/dbraw/zinc/77/63/68/867776368.db2.gz DPQIVVBIIQAYLH-UHFFFAOYSA-N -1 1 410.282 4.402 20 0 HIADMM COc1cc(C(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc(Cl)c1[O-] ZINC000443121571 867829792 /nfs/dbraw/zinc/82/97/92/867829792.db2.gz XNLWHPQVOLLWKL-CQSZACIVSA-N -1 1 418.925 4.240 20 0 HIADMM COc1cc(C(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc(Cl)c1[O-] ZINC000443121569 867830336 /nfs/dbraw/zinc/83/03/36/867830336.db2.gz XNLWHPQVOLLWKL-AWEZNQCLSA-N -1 1 418.925 4.240 20 0 HIADMM COc1cc(-c2nc(-c3ccc(C(=O)N4CCC[C@@H]4C)cc3)no2)cc(Cl)c1[O-] ZINC000443199004 867870987 /nfs/dbraw/zinc/87/09/87/867870987.db2.gz SECMJUWBOATEIW-LBPRGKRZSA-N -1 1 413.861 4.396 20 0 HIADMM CCOc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1Br ZINC000443199149 867871639 /nfs/dbraw/zinc/87/16/39/867871639.db2.gz SMGSJFSSTBETAK-UHFFFAOYSA-N -1 1 400.656 4.468 20 0 HIADMM COc1ccc(COCCCc2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)cc1 ZINC000443215522 867878979 /nfs/dbraw/zinc/87/89/79/867878979.db2.gz RLPUINIOLIUWLR-UHFFFAOYSA-N -1 1 404.850 4.262 20 0 HIADMM COc1cc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)cc(Cl)c1[O-] ZINC000443290929 867892202 /nfs/dbraw/zinc/89/22/02/867892202.db2.gz ZSMPUVPJWHRMTJ-UHFFFAOYSA-N -1 1 412.829 4.198 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCCCC3)c2)c1 ZINC000443409812 867991544 /nfs/dbraw/zinc/99/15/44/867991544.db2.gz LUQXIRRUPMHRDC-MHZLTWQESA-N -1 1 421.584 4.468 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000443412542 867997961 /nfs/dbraw/zinc/99/79/61/867997961.db2.gz WMIRQEOJLJTEPG-UHFFFAOYSA-N -1 1 417.531 4.294 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)cc1F ZINC000443413911 867998554 /nfs/dbraw/zinc/99/85/54/867998554.db2.gz BBWHITJPCOAARN-UHFFFAOYSA-N -1 1 413.776 4.230 20 0 HIADMM CC[C@]1(C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000468241706 882141577 /nfs/dbraw/zinc/14/15/77/882141577.db2.gz SSEKFEWDFLGAJC-HXUWFJFHSA-N -1 1 408.470 4.028 20 0 HIADMM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)ccc1OC ZINC000443453041 868042197 /nfs/dbraw/zinc/04/21/97/868042197.db2.gz LAMACBNKMZGQBC-UHFFFAOYSA-N -1 1 424.522 4.189 20 0 HIADMM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1 ZINC000443471755 868059200 /nfs/dbraw/zinc/05/92/00/868059200.db2.gz ZNLXUUKJPNXAIV-UHFFFAOYSA-N -1 1 424.569 4.244 20 0 HIADMM C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccccc1 ZINC000443527722 868085301 /nfs/dbraw/zinc/08/53/01/868085301.db2.gz IFWXAPJYWHVXLD-OAHLLOKOSA-N -1 1 407.495 4.155 20 0 HIADMM C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccc1 ZINC000443532345 868090622 /nfs/dbraw/zinc/09/06/22/868090622.db2.gz TUVRIHYUVRGYCG-OAHLLOKOSA-N -1 1 423.494 4.105 20 0 HIADMM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1c(F)cc(Br)cc1F ZINC000443892680 868430302 /nfs/dbraw/zinc/43/03/02/868430302.db2.gz YXQLEKXELQNLMQ-UHFFFAOYSA-N -1 1 411.231 4.202 20 0 HIADMM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)C1(C)C ZINC000444361250 868787693 /nfs/dbraw/zinc/78/76/93/868787693.db2.gz FZXIOTDYHKUHBU-BEFAXECRSA-N -1 1 400.519 4.035 20 0 HIADMM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)s1 ZINC000444383452 868802716 /nfs/dbraw/zinc/80/27/16/868802716.db2.gz RDVWWUINMNUIMX-ZDUSSCGKSA-N -1 1 417.531 4.179 20 0 HIADMM Cc1ccc(F)c(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000444409093 868815130 /nfs/dbraw/zinc/81/51/30/868815130.db2.gz VYUBMUFCPLWNIN-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000444415373 868819111 /nfs/dbraw/zinc/81/91/11/868819111.db2.gz XPHVMELGBPJVIY-PIGZYNQJSA-N -1 1 410.695 4.410 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)c1 ZINC000444466659 868840729 /nfs/dbraw/zinc/84/07/29/868840729.db2.gz YLBNVGHUNVAZJC-UHFFFAOYSA-N -1 1 424.522 4.222 20 0 HIADMM Cc1c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cnn1C1CCCC1 ZINC000444483156 868849813 /nfs/dbraw/zinc/84/98/13/868849813.db2.gz SRCHGJOTVJHUML-UHFFFAOYSA-N -1 1 424.526 4.360 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3cccc(O)c3)c2)c1 ZINC000444487079 868852513 /nfs/dbraw/zinc/85/25/13/868852513.db2.gz WBCDACIWIBEEKM-KRWDZBQOSA-N -1 1 424.522 4.301 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c1 ZINC000444511044 868863792 /nfs/dbraw/zinc/86/37/92/868863792.db2.gz IYDJPDMYVRIULS-UHFFFAOYSA-N -1 1 418.318 4.266 20 0 HIADMM CC(C)N(CC1CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000444533263 868871113 /nfs/dbraw/zinc/87/11/13/868871113.db2.gz YTBGKLMCXOFPCG-UHFFFAOYSA-N -1 1 422.497 4.416 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000444550920 868878449 /nfs/dbraw/zinc/87/84/49/868878449.db2.gz OSQUFJUNFJZLMN-OAQYLSRUSA-N -1 1 412.493 4.163 20 0 HIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1 ZINC000444582775 868890528 /nfs/dbraw/zinc/89/05/28/868890528.db2.gz ZXFLODCTTCGWNI-HXUWFJFHSA-N -1 1 406.507 4.159 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CCCC12CCC2 ZINC000444632359 868921677 /nfs/dbraw/zinc/92/16/77/868921677.db2.gz ZVKYEMPKFHQTBN-UHFFFAOYSA-N -1 1 404.919 4.300 20 0 HIADMM CCC[C@H](CC1CCCCC1)C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000444660678 868939648 /nfs/dbraw/zinc/93/96/48/868939648.db2.gz KGGLIJMZDQHOKH-GOSISDBHSA-N -1 1 404.555 4.074 20 0 HIADMM COc1cccc([C@H]2C[C@@H]2c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1 ZINC000445390189 869475785 /nfs/dbraw/zinc/47/57/85/869475785.db2.gz HVJYASJQHMVKMS-KGLIPLIRSA-N -1 1 417.259 4.493 20 0 HIADMM COc1cc(-c2noc(-c3cc(F)c(F)c(F)c3)n2)cc(Br)c1[O-] ZINC000445391676 869477143 /nfs/dbraw/zinc/47/71/43/869477143.db2.gz LVHFIJBIACUHRX-UHFFFAOYSA-N -1 1 401.138 4.298 20 0 HIADMM COc1cc(-c2noc(CCCOc3ccccc3F)n2)cc(Br)c1[O-] ZINC000445396266 869481506 /nfs/dbraw/zinc/48/15/06/869481506.db2.gz ZXPUOLVXMLVGAM-UHFFFAOYSA-N -1 1 423.238 4.364 20 0 HIADMM COc1cc(-c2noc(C3(c4ccccc4F)CC3)n2)cc(Br)c1[O-] ZINC000445396936 869482830 /nfs/dbraw/zinc/48/28/30/869482830.db2.gz AOOQISKNYJQRFL-UHFFFAOYSA-N -1 1 405.223 4.432 20 0 HIADMM COc1cc(-c2noc(-c3cc(OC)c(OC)cc3C)n2)cc(Br)c1[O-] ZINC000445397361 869483090 /nfs/dbraw/zinc/48/30/90/869483090.db2.gz HCMGQFIIDKUOIQ-UHFFFAOYSA-N -1 1 421.247 4.206 20 0 HIADMM COc1cc(-c2noc(-c3csc([C@@H]4CCCO4)n3)n2)cc(Br)c1[O-] ZINC000445398120 869483972 /nfs/dbraw/zinc/48/39/72/869483972.db2.gz QFDBGLXASZTCCN-NSHDSACASA-N -1 1 424.276 4.188 20 0 HIADMM COc1cccc([C@H](C)c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1 ZINC000445401898 869486815 /nfs/dbraw/zinc/48/68/15/869486815.db2.gz KKBOPDAXRNFKLR-JTQLQIEISA-N -1 1 405.248 4.374 20 0 HIADMM CCOc1cc(-c2noc(CCCc3ccc4c(c3)CC(=O)N4)n2)cc(Cl)c1[O-] ZINC000445402122 869486927 /nfs/dbraw/zinc/48/69/27/869486927.db2.gz MIOFHDRXUDMWKI-UHFFFAOYSA-N -1 1 413.861 4.164 20 0 HIADMM CCOc1cc(-c2noc(CN3C(=O)CSc4ccccc43)n2)cc(Cl)c1[O-] ZINC000445402981 869488064 /nfs/dbraw/zinc/48/80/64/869488064.db2.gz QQDCWKILIWUHDU-UHFFFAOYSA-N -1 1 417.874 4.133 20 0 HIADMM COc1cc(-c2noc(-c3ccc(-n4cccn4)cc3)n2)cc(Br)c1[O-] ZINC000445404392 869489485 /nfs/dbraw/zinc/48/94/85/869489485.db2.gz RVJJDSFRDBLESM-UHFFFAOYSA-N -1 1 413.231 4.066 20 0 HIADMM CCOc1cc(-c2noc(-c3ccnc(N4CC[C@H](C)C4)c3)n2)cc(Cl)c1[O-] ZINC000445404408 869489552 /nfs/dbraw/zinc/48/95/52/869489552.db2.gz BVPCLLAOPZIYRG-LBPRGKRZSA-N -1 1 400.866 4.403 20 0 HIADMM COc1cc(-c2noc(-c3cccc(OC(F)F)c3)n2)cc(Br)c1[O-] ZINC000445404883 869489606 /nfs/dbraw/zinc/48/96/06/869489606.db2.gz STISMQWHJSOIRD-UHFFFAOYSA-N -1 1 413.174 4.482 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc(S(=O)(=O)C(C)C)cc3)n2)cc(Cl)c1[O-] ZINC000445418807 869501920 /nfs/dbraw/zinc/50/19/20/869501920.db2.gz PXQQICVHLIQQMS-UHFFFAOYSA-N -1 1 422.890 4.343 20 0 HIADMM CCOc1cc(-c2noc(Cc3csc(NC(=O)C(C)C)n3)n2)cc(Cl)c1[O-] ZINC000445421152 869504005 /nfs/dbraw/zinc/50/40/05/869504005.db2.gz XMWSTRUHYZMZEN-UHFFFAOYSA-N -1 1 422.894 4.136 20 0 HIADMM CCOc1cc(-c2noc(Cc3ccc(F)c(F)c3)n2)cc(Br)c1[O-] ZINC000445429944 869514136 /nfs/dbraw/zinc/51/41/36/869514136.db2.gz DBYVAYCSGNHRCL-UHFFFAOYSA-N -1 1 411.202 4.472 20 0 HIADMM CCOc1cc(-c2noc(Cc3cccc(OCCOC)c3)n2)cc(Cl)c1[O-] ZINC000445431934 869516707 /nfs/dbraw/zinc/51/67/07/869516707.db2.gz RHUCSQQGPYDRMK-UHFFFAOYSA-N -1 1 404.850 4.110 20 0 HIADMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)nnn1-c1cccc2cccnc21 ZINC000445442767 869525087 /nfs/dbraw/zinc/52/50/87/869525087.db2.gz ADUYHRWQZMQCLP-UHFFFAOYSA-N -1 1 404.817 4.200 20 0 HIADMM O=C1C[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CN1Cc1cccc(C(F)(F)F)c1 ZINC000445465101 869540576 /nfs/dbraw/zinc/54/05/76/869540576.db2.gz XSQHEOXJFLDOGD-GFCCVEGCSA-N -1 1 421.350 4.116 20 0 HIADMM O=C1C[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CN1c1cc(Cl)cc(Cl)c1 ZINC000445478485 869551708 /nfs/dbraw/zinc/55/17/08/869551708.db2.gz REIQWKGPFJWGQM-JTQLQIEISA-N -1 1 408.216 4.409 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc([C@H]4CCCOC4)no3)ccc2C)cc1 ZINC000445529994 869586641 /nfs/dbraw/zinc/58/66/41/869586641.db2.gz XHKXGPQHGBAOBK-KRWDZBQOSA-N -1 1 413.499 4.048 20 0 HIADMM COc1ccc(C2(c3noc(-c4cc(NC(C)=O)ccc4[O-])n3)CCCC2)cc1OC ZINC000445845465 869856545 /nfs/dbraw/zinc/85/65/45/869856545.db2.gz UZZBEYIHECULLY-UHFFFAOYSA-N -1 1 423.469 4.278 20 0 HIADMM CSCCCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472592534 887467447 /nfs/dbraw/zinc/46/74/47/887467447.db2.gz VTUYKXOKSFLQNY-UHFFFAOYSA-N -1 1 407.182 4.177 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](C(C)C)C2)cc1 ZINC000446513851 870431728 /nfs/dbraw/zinc/43/17/28/870431728.db2.gz HWWGSMIUSHAUCR-QGZVFWFLSA-N -1 1 404.507 4.053 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)nc3C)cc2)c1 ZINC000446704745 870618110 /nfs/dbraw/zinc/61/81/10/870618110.db2.gz DEGQLKNKROAFAN-UHFFFAOYSA-N -1 1 409.511 4.368 20 0 HIADMM CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000446788312 870705670 /nfs/dbraw/zinc/70/56/70/870705670.db2.gz WNUKCLTZYQCMCI-UHFFFAOYSA-N -1 1 408.886 4.260 20 0 HIADMM Cc1cc(Br)cnc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000446790304 870708120 /nfs/dbraw/zinc/70/81/20/870708120.db2.gz OMTIOJJZONDFSJ-UHFFFAOYSA-N -1 1 410.120 4.401 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1 ZINC000447007404 870888645 /nfs/dbraw/zinc/88/86/45/870888645.db2.gz QAEKQBRWKMJNSJ-UHFFFAOYSA-N -1 1 418.478 4.142 20 0 HIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000447258853 871134928 /nfs/dbraw/zinc/13/49/28/871134928.db2.gz FRYPXIBWJRNPIF-UHFFFAOYSA-N -1 1 404.557 4.144 20 0 HIADMM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1cc(C(F)(F)F)ccc1Cl ZINC000447258976 871137937 /nfs/dbraw/zinc/13/79/37/871137937.db2.gz GDJSTVBXIYJFMN-UHFFFAOYSA-N -1 1 420.775 4.084 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1cnn(-c2ccccc2F)c1 ZINC000447262604 871140916 /nfs/dbraw/zinc/14/09/16/871140916.db2.gz FIGNLHUBLIBNLX-UHFFFAOYSA-N -1 1 401.394 4.211 20 0 HIADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000447261512 871142224 /nfs/dbraw/zinc/14/22/24/871142224.db2.gz YIXUTPYHJFTDFV-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000447266286 871148219 /nfs/dbraw/zinc/14/82/19/871148219.db2.gz KKRWGNYXUPPLRU-UHFFFAOYSA-N -1 1 406.826 4.120 20 0 HIADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)c(C)c2)c1 ZINC000447272982 871161018 /nfs/dbraw/zinc/16/10/18/871161018.db2.gz UEFAMFPSKIUUOR-UHFFFAOYSA-N -1 1 400.456 4.000 20 0 HIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3nn(-c4ccc(Cl)cc4)cc3[O-])[nH]c2c1 ZINC000447439681 871339273 /nfs/dbraw/zinc/33/92/73/871339273.db2.gz KVKSEWFGASBLAR-GOSISDBHSA-N -1 1 421.888 4.393 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(Br)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447778322 871709318 /nfs/dbraw/zinc/70/93/18/871709318.db2.gz PHEGWOCZVDXGNZ-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447780979 871712373 /nfs/dbraw/zinc/71/23/73/871712373.db2.gz AWYODRRYPAXRLE-UHFFFAOYSA-N -1 1 415.311 4.169 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nccs2)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000447782573 871714512 /nfs/dbraw/zinc/71/45/12/871714512.db2.gz ZMUOQBWUGDVZSE-UHFFFAOYSA-N -1 1 400.403 4.351 20 0 HIADMM Cc1cnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c(Br)c1 ZINC000447898922 871808547 /nfs/dbraw/zinc/80/85/47/871808547.db2.gz ZWGPZMZKGIIMHK-UHFFFAOYSA-N -1 1 413.190 4.111 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCSCC2)c1 ZINC000448038479 871871416 /nfs/dbraw/zinc/87/14/16/871871416.db2.gz KVIDXVSKFNHSDX-UHFFFAOYSA-N -1 1 424.975 4.287 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 ZINC000448041242 871874545 /nfs/dbraw/zinc/87/45/45/871874545.db2.gz CTTXVNLDVRBRID-MRXNPFEDSA-N -1 1 414.527 4.095 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c1 ZINC000448048982 871880205 /nfs/dbraw/zinc/88/02/05/871880205.db2.gz MYVXKXYCMGOIJJ-UHFFFAOYSA-N -1 1 402.497 4.116 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)c1 ZINC000448049596 871880793 /nfs/dbraw/zinc/88/07/93/871880793.db2.gz PNVBTJNGEKHUBN-UHFFFAOYSA-N -1 1 415.540 4.290 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000448114365 871968313 /nfs/dbraw/zinc/96/83/13/871968313.db2.gz SNKZJVMNUFXNJN-UHFFFAOYSA-N -1 1 419.506 4.478 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)c1 ZINC000448118864 871984143 /nfs/dbraw/zinc/98/41/43/871984143.db2.gz AWSYBKBTHGULDI-SANMLTNESA-N -1 1 407.557 4.127 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1 ZINC000448120853 871988199 /nfs/dbraw/zinc/98/81/99/871988199.db2.gz BJQDMDUYJMFLMD-UHFFFAOYSA-N -1 1 417.712 4.252 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)c1 ZINC000448132431 872007106 /nfs/dbraw/zinc/00/71/06/872007106.db2.gz LLIFBQYVGSHDFP-UHFFFAOYSA-N -1 1 402.516 4.373 20 0 HIADMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000468549694 882592314 /nfs/dbraw/zinc/59/23/14/882592314.db2.gz VQSJTRMKMFSGBV-SNVBAGLBSA-N -1 1 408.278 4.347 20 0 HIADMM COc1cc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc(Cl)c1[O-] ZINC000460213262 872798727 /nfs/dbraw/zinc/79/87/27/872798727.db2.gz REDFXIUSSCGDMN-UHFFFAOYSA-N -1 1 402.809 4.311 20 0 HIADMM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1ccc(OCC(F)F)c2ccccc21 ZINC000460412901 873067707 /nfs/dbraw/zinc/06/77/07/873067707.db2.gz QFVPRMXTRVSTFH-UHFFFAOYSA-N -1 1 403.410 4.161 20 0 HIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)N2CCc3ccccc3C2)nc1-c1ccccc1 ZINC000460422607 873083230 /nfs/dbraw/zinc/08/32/30/873083230.db2.gz FKNHVWANQAXPOD-MRXNPFEDSA-N -1 1 405.523 4.223 20 0 HIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nc1-c1ccccc1 ZINC000460424451 873084351 /nfs/dbraw/zinc/08/43/51/873084351.db2.gz JSNGSQRBQJZXCO-GFCCVEGCSA-N -1 1 400.891 4.325 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)N2CCSc3ccccc32)nc1-c1ccccc1 ZINC000460426664 873089201 /nfs/dbraw/zinc/08/92/01/873089201.db2.gz KSDONJGPZMJWAY-UHFFFAOYSA-N -1 1 409.536 4.389 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1Cl ZINC000460447352 873117722 /nfs/dbraw/zinc/11/77/22/873117722.db2.gz JCPPAAFCODGZMH-UHFFFAOYSA-N -1 1 412.914 4.379 20 0 HIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)N2CCc3sccc3C2)nc1-c1ccccc1 ZINC000460451621 873127813 /nfs/dbraw/zinc/12/78/13/873127813.db2.gz VBPWYPMDYMHWLY-AWEZNQCLSA-N -1 1 411.552 4.285 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccc(F)cn4)no3)cc2)cc1 ZINC000460630964 873372550 /nfs/dbraw/zinc/37/25/50/873372550.db2.gz PPBUPLVHMVTPKR-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)cc1 ZINC000460822153 873703809 /nfs/dbraw/zinc/70/38/09/873703809.db2.gz DMCSBYYBBIWYNG-UHFFFAOYSA-N -1 1 424.522 4.187 20 0 HIADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000460823543 873707209 /nfs/dbraw/zinc/70/72/09/873707209.db2.gz MJXGTBKQNBLCDS-UHFFFAOYSA-N -1 1 412.298 4.297 20 0 HIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C(=O)N(CC)CC)cc3)cc21 ZINC000460825338 873710546 /nfs/dbraw/zinc/71/05/46/873710546.db2.gz SUPBFVOAZHAJHR-UHFFFAOYSA-N -1 1 413.543 4.334 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)ccc1C ZINC000460830102 873716902 /nfs/dbraw/zinc/71/69/02/873716902.db2.gz OENKNMBEBSODQQ-UHFFFAOYSA-N -1 1 406.479 4.215 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)cc(C)c1F ZINC000460833216 873720662 /nfs/dbraw/zinc/72/06/62/873720662.db2.gz YWGLWEZGSJALGJ-UHFFFAOYSA-N -1 1 412.914 4.283 20 0 HIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCC4)cc21 ZINC000460833805 873720733 /nfs/dbraw/zinc/72/07/33/873720733.db2.gz RFPFIOJSUDCCTJ-UHFFFAOYSA-N -1 1 411.527 4.151 20 0 HIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccn2)c1 ZINC000460835735 873723414 /nfs/dbraw/zinc/72/34/14/873723414.db2.gz LVRRNWWRIYJWIT-UHFFFAOYSA-N -1 1 409.511 4.432 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@H]1Cc2ccccc21 ZINC000460838457 873727082 /nfs/dbraw/zinc/72/70/82/873727082.db2.gz GHWIAVRXPXTZAS-FQEVSTJZSA-N -1 1 412.898 4.419 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000460959246 873856023 /nfs/dbraw/zinc/85/60/23/873856023.db2.gz QEXKFRHZDMDPKI-HXUWFJFHSA-N -1 1 416.518 4.196 20 0 HIADMM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000460981867 873872820 /nfs/dbraw/zinc/87/28/20/873872820.db2.gz QLCYLHWNPSCTGN-HXUWFJFHSA-N -1 1 416.518 4.196 20 0 HIADMM CC(=O)c1cc(F)c([N-]C(=O)c2nnn(-c3cccc(Cl)c3)c2C)c(F)c1F ZINC000461106540 874026654 /nfs/dbraw/zinc/02/66/54/874026654.db2.gz GVPLVAUSMFCMJL-UHFFFAOYSA-N -1 1 408.767 4.101 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000461143230 874086784 /nfs/dbraw/zinc/08/67/84/874086784.db2.gz MJLKWZSDULJQGC-HDICACEKSA-N -1 1 418.946 4.177 20 0 HIADMM CC(C)c1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)s1 ZINC000461261929 874267985 /nfs/dbraw/zinc/26/79/85/874267985.db2.gz FWKAXUBXTMTJID-UHFFFAOYSA-N -1 1 419.503 4.459 20 0 HIADMM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(C(F)(F)F)s1 ZINC000461337171 874347682 /nfs/dbraw/zinc/34/76/82/874347682.db2.gz GNKRIKUMFDXXLU-GFCCVEGCSA-N -1 1 417.434 4.296 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1Br)c1ccc(C(F)(F)F)s1 ZINC000461344800 874353728 /nfs/dbraw/zinc/35/37/28/874353728.db2.gz WUTFHGDVYSNLAR-UHFFFAOYSA-N -1 1 404.204 4.469 20 0 HIADMM Cc1ccc(CC[C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)o1 ZINC000461394395 874402053 /nfs/dbraw/zinc/40/20/53/874402053.db2.gz KAIDQCLTGSXCRE-INIZCTEOSA-N -1 1 412.511 4.140 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C(C)C)CC3)cc2)ccc1F ZINC000461412332 874428498 /nfs/dbraw/zinc/42/84/98/874428498.db2.gz AVJLWUYHZODBDB-UHFFFAOYSA-N -1 1 418.534 4.443 20 0 HIADMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000461426860 874460914 /nfs/dbraw/zinc/46/09/14/874460914.db2.gz JVVSNJLBVRAHEM-UHFFFAOYSA-N -1 1 407.557 4.064 20 0 HIADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000462302772 875424996 /nfs/dbraw/zinc/42/49/96/875424996.db2.gz ZWJISJVTSARYIV-HUUCEWRRSA-N -1 1 424.950 4.306 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3-c3cccs3)cc3c2N1CCC3 ZINC000462355743 875470124 /nfs/dbraw/zinc/47/01/24/875470124.db2.gz ZBSSIAJZVCTYKV-UHFFFAOYSA-N -1 1 410.520 4.051 20 0 HIADMM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)c2C1 ZINC000462377584 875489288 /nfs/dbraw/zinc/48/92/88/875489288.db2.gz PHGOUJBTEBVAHP-UHFFFAOYSA-N -1 1 402.560 4.038 20 0 HIADMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000462392135 875502132 /nfs/dbraw/zinc/50/21/32/875502132.db2.gz KOVHXJJTZWBJKK-MRVPVSSYSA-N -1 1 419.168 4.238 20 0 HIADMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(Cl)c1 ZINC000462669592 875767920 /nfs/dbraw/zinc/76/79/20/875767920.db2.gz SUOBRJXCKUCHJB-JTQLQIEISA-N -1 1 400.736 4.374 20 0 HIADMM Cc1nc(-c2ccc(NCc3ccnc(O[C@@H](C)CC(C)C)c3)nc2)[n-]c(=O)c1C ZINC000462857743 875891021 /nfs/dbraw/zinc/89/10/21/875891021.db2.gz XSCCACRBSRZCAT-HNNXBMFYSA-N -1 1 407.518 4.682 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(c4ccccc4F)C3)c2)c1 ZINC000463012949 876030144 /nfs/dbraw/zinc/03/01/44/876030144.db2.gz QTQCNZPWYRUTRU-UHFFFAOYSA-N -1 1 424.497 4.175 20 0 HIADMM O=C(CCC1CCOCC1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000463237603 876293107 /nfs/dbraw/zinc/29/31/07/876293107.db2.gz LQMRHEPBYVFPTK-UHFFFAOYSA-N -1 1 422.934 4.286 20 0 HIADMM Cc1ccc(NC(=O)Cc2cc(F)ccc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000463388941 876444818 /nfs/dbraw/zinc/44/48/18/876444818.db2.gz HGBGOYNRCXBSED-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CN(C(C)=O)C3CC3)cc2)cc1Cl ZINC000463514220 876577941 /nfs/dbraw/zinc/57/79/41/876577941.db2.gz QUCYJZFQQCXCEI-UHFFFAOYSA-N -1 1 424.975 4.374 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1Cl ZINC000463515023 876580294 /nfs/dbraw/zinc/58/02/94/876580294.db2.gz LDPZJSAXQDQPNI-UHFFFAOYSA-N -1 1 405.328 4.475 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1Cl ZINC000463520000 876586357 /nfs/dbraw/zinc/58/63/57/876586357.db2.gz WAHOBVQRZSJGRP-UHFFFAOYSA-N -1 1 407.904 4.445 20 0 HIADMM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000463530815 876607937 /nfs/dbraw/zinc/60/79/37/876607937.db2.gz DRIPUXNFIGROJQ-UHFFFAOYSA-N -1 1 419.305 4.414 20 0 HIADMM O=S(=O)([N-]C1CCN(Cc2ccc(Cl)cc2)CC1)c1c(F)cccc1Cl ZINC000463681708 876803477 /nfs/dbraw/zinc/80/34/77/876803477.db2.gz HYUQXVBBTCTIIZ-UHFFFAOYSA-N -1 1 417.333 4.075 20 0 HIADMM CCc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)s1 ZINC000464086340 877240015 /nfs/dbraw/zinc/24/00/15/877240015.db2.gz HWUJKOPIQLIOLH-UHFFFAOYSA-N -1 1 401.513 4.067 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000464144866 877309988 /nfs/dbraw/zinc/30/99/88/877309988.db2.gz OCPPCLDJFKQUCO-UHFFFAOYSA-N -1 1 423.860 4.074 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)c(=O)[n-]1 ZINC000464216977 877386746 /nfs/dbraw/zinc/38/67/46/877386746.db2.gz RNXVFRJNGYZJHV-OAQYLSRUSA-N -1 1 419.550 4.471 20 0 HIADMM CN(CCc1cccs1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000464352151 877545402 /nfs/dbraw/zinc/54/54/02/877545402.db2.gz NQXYVRQPNYSXFA-UHFFFAOYSA-N -1 1 418.515 4.003 20 0 HIADMM CCN(CC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000464382926 877584025 /nfs/dbraw/zinc/58/40/25/877584025.db2.gz FXRXRLOOJKDFKT-UHFFFAOYSA-N -1 1 421.538 4.204 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@H]1c1ccccc1 ZINC000464561208 877779424 /nfs/dbraw/zinc/77/94/24/877779424.db2.gz OWAUSURNYNBEAW-OPAMFIHVSA-N -1 1 424.497 4.460 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000464581818 877805871 /nfs/dbraw/zinc/80/58/71/877805871.db2.gz JBWDYFMUPCSWQG-QFIPXVFZSA-N -1 1 400.544 4.448 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000464586680 877810754 /nfs/dbraw/zinc/81/07/54/877810754.db2.gz QUCMPIWUQYWLLQ-NRFANRHFSA-N -1 1 404.507 4.279 20 0 HIADMM CC[C@@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1 ZINC000464601091 877828763 /nfs/dbraw/zinc/82/87/63/877828763.db2.gz IXRRPPYQFYWSEW-QFIPXVFZSA-N -1 1 400.544 4.448 20 0 HIADMM CC[C@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1 ZINC000464601090 877829163 /nfs/dbraw/zinc/82/91/63/877829163.db2.gz IXRRPPYQFYWSEW-JOCHJYFZSA-N -1 1 400.544 4.448 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2cc(C(C)C)nn2-c2ccccc2)c(=O)[n-]1 ZINC000464673641 877892198 /nfs/dbraw/zinc/89/21/98/877892198.db2.gz YSIPTNPJDRWPFT-UHFFFAOYSA-N -1 1 411.531 4.093 20 0 HIADMM CCSCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000464700571 877918493 /nfs/dbraw/zinc/91/84/93/877918493.db2.gz QSTDNBLLOOIFDS-OAHLLOKOSA-N -1 1 424.563 4.196 20 0 HIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccccc3CCC(F)(F)F)ccc2N1 ZINC000464835252 878095837 /nfs/dbraw/zinc/09/58/37/878095837.db2.gz ISDCPEPUQSJYOE-UHFFFAOYSA-N -1 1 412.433 4.257 20 0 HIADMM CC[C@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)O1 ZINC000464863424 878145570 /nfs/dbraw/zinc/14/55/70/878145570.db2.gz SGHWDCKWAQBEND-FUHWJXTLSA-N -1 1 408.907 4.037 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000465047386 878410100 /nfs/dbraw/zinc/41/01/00/878410100.db2.gz KXQDCTHZHLCQNM-UHFFFAOYSA-N -1 1 424.932 4.134 20 0 HIADMM COc1ccc(NC(=O)N[C@H](CC(C)(C)C)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000503381121 912362987 /nfs/dbraw/zinc/36/29/87/912362987.db2.gz BDOJFZKUZBJWRR-GOSISDBHSA-N -1 1 419.547 4.366 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000465296868 878737916 /nfs/dbraw/zinc/73/79/16/878737916.db2.gz SDGLMPFEKKHAPP-KDOFPFPSSA-N -1 1 404.507 4.196 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000465297201 878740538 /nfs/dbraw/zinc/74/05/38/878740538.db2.gz SSNWPXWKPYPVEU-KDOFPFPSSA-N -1 1 404.507 4.196 20 0 HIADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000465298233 878741508 /nfs/dbraw/zinc/74/15/08/878741508.db2.gz ZAOWDQJHHCERHE-KUHUBIRLSA-N -1 1 404.507 4.196 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000465298678 878742052 /nfs/dbraw/zinc/74/20/52/878742052.db2.gz WWWDJMXULYIEGL-YWZLYKJASA-N -1 1 400.544 4.365 20 0 HIADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000465300114 878743444 /nfs/dbraw/zinc/74/34/44/878743444.db2.gz ZUFQNDNEISTKLJ-OXQOHEQNSA-N -1 1 400.544 4.365 20 0 HIADMM CC(C)C[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000465313605 878757506 /nfs/dbraw/zinc/75/75/06/878757506.db2.gz FMRJSSYOPDODQD-HNNXBMFYSA-N -1 1 422.497 4.274 20 0 HIADMM CC(C)C[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000465313606 878757800 /nfs/dbraw/zinc/75/78/00/878757800.db2.gz FMRJSSYOPDODQD-OAHLLOKOSA-N -1 1 422.497 4.274 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)cc1 ZINC000466283641 880025111 /nfs/dbraw/zinc/02/51/11/880025111.db2.gz SBAWPJFQKPNJEC-UHFFFAOYSA-N -1 1 421.478 4.178 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000466284809 880028411 /nfs/dbraw/zinc/02/84/11/880028411.db2.gz BKGSYUNGZKGRFM-UHFFFAOYSA-N -1 1 406.463 4.422 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc4oc(C5CC5)nc4c3)cc2F)c1 ZINC000466353722 880112450 /nfs/dbraw/zinc/11/24/50/880112450.db2.gz OLFXPZOFDUWYOY-UHFFFAOYSA-N -1 1 412.446 4.139 20 0 HIADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000466954401 880734691 /nfs/dbraw/zinc/73/46/91/880734691.db2.gz JBRITXRDOHNMPW-AWEZNQCLSA-N -1 1 411.520 4.154 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(OCC(C)C)c(Cl)c3)cc2oc1=O ZINC000466958406 880743162 /nfs/dbraw/zinc/74/31/62/880743162.db2.gz VGVHXEKIISMFIZ-UHFFFAOYSA-N -1 1 424.906 4.103 20 0 HIADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000466959382 880744397 /nfs/dbraw/zinc/74/43/97/880744397.db2.gz JFASBJCBWAXTHT-MRXNPFEDSA-N -1 1 423.506 4.221 20 0 HIADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3Nc3ccccc3)cc2oc1=O ZINC000466962539 880751184 /nfs/dbraw/zinc/75/11/84/880751184.db2.gz WMIJYLQGAYHZBN-UHFFFAOYSA-N -1 1 409.467 4.159 20 0 HIADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000467015988 880819586 /nfs/dbraw/zinc/81/95/86/880819586.db2.gz URMHAASQRUDDCK-INIZCTEOSA-N -1 1 407.507 4.474 20 0 HIADMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)c1 ZINC000467078452 880852719 /nfs/dbraw/zinc/85/27/19/880852719.db2.gz HQFGUILDWGJYJM-UHFFFAOYSA-N -1 1 424.588 4.327 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)c2cccc(N3CCCC3=O)c2)nc1-c1ccccc1 ZINC000467204002 880934224 /nfs/dbraw/zinc/93/42/24/880934224.db2.gz BZFLXBUYMTZRTP-UHFFFAOYSA-N -1 1 419.506 4.259 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc1-c1ccccc1 ZINC000467205946 880936503 /nfs/dbraw/zinc/93/65/03/880936503.db2.gz JFGGERBQTQESBR-CQSZACIVSA-N -1 1 411.449 4.051 20 0 HIADMM COC(=O)c1cc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc(C(=O)OC)c1 ZINC000467213461 880942465 /nfs/dbraw/zinc/94/24/65/880942465.db2.gz NAYFBGPTKMPYDE-UHFFFAOYSA-N -1 1 424.478 4.023 20 0 HIADMM Cc1ccc(CN(C(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)C2CC2)o1 ZINC000467212239 880942499 /nfs/dbraw/zinc/94/24/99/880942499.db2.gz UWNDPSZFGSNIEQ-UHFFFAOYSA-N -1 1 409.511 4.342 20 0 HIADMM O=C(N[C@@H]1C=CCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000467274359 881017655 /nfs/dbraw/zinc/01/76/55/881017655.db2.gz GJMIZTGWJCOVOA-CQSZACIVSA-N -1 1 408.882 4.118 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@]3(C)CCCS3)c2)c1 ZINC000467322785 881071279 /nfs/dbraw/zinc/07/12/79/881071279.db2.gz DANZLBWYKMNTDI-NRFANRHFSA-N -1 1 418.584 4.120 20 0 HIADMM O=C(Nc1c[nH]nc1-c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000503586077 912671244 /nfs/dbraw/zinc/67/12/44/912671244.db2.gz UNWOTGSWVBFHNP-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM Cc1cccc2nc(CN(C)Cc3cccc([N-]S(=O)(=O)c4ccccc4)c3)cn21 ZINC000503635381 912737703 /nfs/dbraw/zinc/73/77/03/912737703.db2.gz VDBCLSROWUUAJL-UHFFFAOYSA-N -1 1 420.538 4.076 20 0 HIADMM C[C@H]1CCC[C@H]1CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000469502234 883749289 /nfs/dbraw/zinc/74/92/89/883749289.db2.gz VOYNPYUZLQTUFR-RDJZCZTQSA-N -1 1 404.507 4.069 20 0 HIADMM Cc1nc(C)c(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)s1 ZINC000469706554 883880798 /nfs/dbraw/zinc/88/07/98/883880798.db2.gz UCCQTNOMGMEJCR-UHFFFAOYSA-N -1 1 412.696 4.270 20 0 HIADMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c2)n1 ZINC000470437756 884835241 /nfs/dbraw/zinc/83/52/41/884835241.db2.gz YTFCPVMVBKJHGE-UHFFFAOYSA-N -1 1 419.462 4.478 20 0 HIADMM O=c1cc(C2CC2)nc(SCc2nc(-c3cccc(Br)c3)no2)[n-]1 ZINC000470447167 884843837 /nfs/dbraw/zinc/84/38/37/884843837.db2.gz WUBLZMLQHZCXTC-UHFFFAOYSA-N -1 1 405.277 4.164 20 0 HIADMM COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)cc(Cl)c1[O-] ZINC000470833384 885323515 /nfs/dbraw/zinc/32/35/15/885323515.db2.gz UEMUYPBDODXSDN-VIFPVBQESA-N -1 1 414.683 4.316 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1)c1ccncc1 ZINC000504050214 912958202 /nfs/dbraw/zinc/95/82/02/912958202.db2.gz IBJNRLSIJRPELN-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM COc1cc(S(=O)(=O)Nc2ccccc2SC(C)C)c(Cl)cc1C(=O)[O-] ZINC000471117871 885653918 /nfs/dbraw/zinc/65/39/18/885653918.db2.gz YANOJJDATQTGTF-UHFFFAOYSA-N -1 1 415.920 4.348 20 0 HIADMM CSc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)c1C ZINC000504057034 912960706 /nfs/dbraw/zinc/96/07/06/912960706.db2.gz LFTLJLGFHSKQLL-UHFFFAOYSA-N -1 1 413.524 4.165 20 0 HIADMM COCCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCC1 ZINC000471177684 885740255 /nfs/dbraw/zinc/74/02/55/885740255.db2.gz RGAXLZKZQKLITO-UHFFFAOYSA-N -1 1 422.934 4.286 20 0 HIADMM COCCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCCC1 ZINC000471484499 886181944 /nfs/dbraw/zinc/18/19/44/886181944.db2.gz QXLPUFWZGPUATB-UHFFFAOYSA-N -1 1 402.516 4.023 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2C)ccc1F ZINC000471597903 886309927 /nfs/dbraw/zinc/30/99/27/886309927.db2.gz SFBFDLDRSLVSSJ-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM Cc1ccc(CCC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)o1 ZINC000471606315 886319923 /nfs/dbraw/zinc/31/99/23/886319923.db2.gz RFRLTZFTRJIZEK-UHFFFAOYSA-N -1 1 420.437 4.238 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)ccc1F ZINC000471628514 886346198 /nfs/dbraw/zinc/34/61/98/886346198.db2.gz YXORWOWUFNZDBH-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CCOc1ccc(-c2nc(CC)c(C(=O)Nc3n[n-]c(C(F)(F)F)n3)s2)cc1 ZINC000471867755 886644562 /nfs/dbraw/zinc/64/45/62/886644562.db2.gz DZBFGPSRTCAYDA-UHFFFAOYSA-N -1 1 411.409 4.160 20 0 HIADMM Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000471947342 886750869 /nfs/dbraw/zinc/75/08/69/886750869.db2.gz RPIZWFKUJSEDBO-HDICACEKSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)CO2 ZINC000472719598 887566796 /nfs/dbraw/zinc/56/67/96/887566796.db2.gz BCBNHWZKSHMHTO-OAQYLSRUSA-N -1 1 422.506 4.219 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3ccccc3)no2)c1)c1ccc(F)c(F)c1 ZINC000504343209 913180491 /nfs/dbraw/zinc/18/04/91/913180491.db2.gz MLRHCIFYZGCWRD-UHFFFAOYSA-N -1 1 413.405 4.483 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)cc1Br ZINC000473428144 888149838 /nfs/dbraw/zinc/14/98/38/888149838.db2.gz MKNNEDYZRHBEPV-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccn(Cc3ccc(C)cc3)c2=O)sc1Cl ZINC000473481167 888204330 /nfs/dbraw/zinc/20/43/30/888204330.db2.gz NMANUHSRTDGIOG-UHFFFAOYSA-N -1 1 408.932 4.029 20 0 HIADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H](C)c1ccccc1 ZINC000473522377 888256650 /nfs/dbraw/zinc/25/66/50/888256650.db2.gz FYUMFLWUNFBHMX-QZTJIDSGSA-N -1 1 408.523 4.409 20 0 HIADMM COc1csc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000473657990 888408673 /nfs/dbraw/zinc/40/86/73/888408673.db2.gz LADMSVHSPQNMMB-UHFFFAOYSA-N -1 1 416.524 4.427 20 0 HIADMM CCn1c(CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)nc2ccccc21 ZINC000473861047 888713342 /nfs/dbraw/zinc/71/33/42/888713342.db2.gz AUEWYZKLOUHKQU-UHFFFAOYSA-N -1 1 416.305 4.023 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3cccc(O)c3)cc2)cc1 ZINC000473913680 888794465 /nfs/dbraw/zinc/79/44/65/888794465.db2.gz SCQCYDYPNPJYPD-KRWDZBQOSA-N -1 1 424.522 4.335 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2C)c(C)s1 ZINC000504536526 913315398 /nfs/dbraw/zinc/31/53/98/913315398.db2.gz PBRNRXMJNIKGIT-UHFFFAOYSA-N -1 1 416.572 4.459 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cccc1-c1nnc2n1CCCCC2 ZINC000504540472 913318496 /nfs/dbraw/zinc/31/84/96/913318496.db2.gz BHEPERQTJNRXAO-UHFFFAOYSA-N -1 1 422.554 4.269 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000474525409 889397411 /nfs/dbraw/zinc/39/74/11/889397411.db2.gz XFVRZFDVYBAYIG-UHFFFAOYSA-N -1 1 405.498 4.297 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCCCCC1 ZINC000474532357 889403727 /nfs/dbraw/zinc/40/37/27/889403727.db2.gz BTMDCOZZDMYVOU-UHFFFAOYSA-N -1 1 404.507 4.213 20 0 HIADMM C[C@@H]1CC[C@H](CC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000474548577 889424470 /nfs/dbraw/zinc/42/44/70/889424470.db2.gz RVGDAIQOMPGEHZ-WBVHZDCISA-N -1 1 404.507 4.069 20 0 HIADMM Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1F ZINC000474549856 889426286 /nfs/dbraw/zinc/42/62/86/889426286.db2.gz ZELNIIFVYSEGNO-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000474552281 889429195 /nfs/dbraw/zinc/42/91/95/889429195.db2.gz GKQMLKCMWIBVGD-OAHLLOKOSA-N -1 1 420.513 4.253 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@H]2c2cc(C)ccc2C)cc1[N-]S(C)(=O)=O ZINC000474622536 889485643 /nfs/dbraw/zinc/48/56/43/889485643.db2.gz WHXOBVWJEGYCOY-IBGZPJMESA-N -1 1 417.531 4.053 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000474754557 889613594 /nfs/dbraw/zinc/61/35/94/889613594.db2.gz SHTPKBCXUVFYKH-OCCSQVGLSA-N -1 1 407.967 4.449 20 0 HIADMM COc1cccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1OC1CCCC1 ZINC000474812969 889666358 /nfs/dbraw/zinc/66/63/58/889666358.db2.gz RJNPVZIYMREIBJ-UHFFFAOYSA-N -1 1 413.518 4.048 20 0 HIADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474871550 889726144 /nfs/dbraw/zinc/72/61/44/889726144.db2.gz XQLUPOQMZLVOCH-FXAWDEMLSA-N -1 1 416.543 4.330 20 0 HIADMM C[C@@H](Sc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1)C(=O)[O-] ZINC000504657640 913398859 /nfs/dbraw/zinc/39/88/59/913398859.db2.gz GWGRXDXTDWROSK-SECBINFHSA-N -1 1 406.312 4.359 20 0 HIADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000475123921 889983559 /nfs/dbraw/zinc/98/35/59/889983559.db2.gz YPAQOLJENNWXGR-UHFFFAOYSA-N -1 1 422.416 4.362 20 0 HIADMM COc1cccc(Cl)c1-c1noc(C)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000475176678 890045430 /nfs/dbraw/zinc/04/54/30/890045430.db2.gz UKPGLDDSJPXPOH-UHFFFAOYSA-N -1 1 400.794 4.353 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(C)CCC(C)CC3)cc2)cc1 ZINC000504684940 913423086 /nfs/dbraw/zinc/42/30/86/913423086.db2.gz ZTJNPOCIVGFUPP-UHFFFAOYSA-N -1 1 416.543 4.195 20 0 HIADMM CCCCN(Cc1ccccc1F)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000475365118 890295605 /nfs/dbraw/zinc/29/56/05/890295605.db2.gz BSSODZLGTQOJJJ-UHFFFAOYSA-N -1 1 423.510 4.040 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@@H]2CC2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000475388870 890316632 /nfs/dbraw/zinc/31/66/32/890316632.db2.gz HFAYXHHLAKRXRF-QGZVFWFLSA-N -1 1 409.552 4.033 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000475541306 890465583 /nfs/dbraw/zinc/46/55/83/890465583.db2.gz DUFYCWGSFPRPJA-UHFFFAOYSA-N -1 1 411.449 4.251 20 0 HIADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000475646606 890589950 /nfs/dbraw/zinc/58/99/50/890589950.db2.gz KJQTWSOAXDCMEA-RBUKOAKNSA-N -1 1 418.584 4.234 20 0 HIADMM CCCCSCCC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475721867 890660221 /nfs/dbraw/zinc/66/02/21/890660221.db2.gz HNEVLFZYRYTCNX-UHFFFAOYSA-N -1 1 424.563 4.166 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(NCC(F)(F)F)c1)c1ccc2ncsc2c1 ZINC000475784697 890726821 /nfs/dbraw/zinc/72/68/21/890726821.db2.gz DANMCPUAHNZVTH-UHFFFAOYSA-N -1 1 405.398 4.210 20 0 HIADMM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2)o1 ZINC000475838316 890771381 /nfs/dbraw/zinc/77/13/81/890771381.db2.gz ULXQFWYNMLRLPK-UHFFFAOYSA-N -1 1 410.495 4.491 20 0 HIADMM O=C(CC1CCC(=O)CC1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000476035070 890966657 /nfs/dbraw/zinc/96/66/57/890966657.db2.gz SMLFXBFMQLCORD-UHFFFAOYSA-N -1 1 420.918 4.229 20 0 HIADMM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000476127666 891049942 /nfs/dbraw/zinc/04/99/42/891049942.db2.gz BBJHWRHZOBFCGT-IRLDBZIGSA-N -1 1 416.525 4.280 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](c4ccccc4)C3)c2)cc1 ZINC000476162496 891090354 /nfs/dbraw/zinc/09/03/54/891090354.db2.gz QVGIEAUYUDBVMH-OAQYLSRUSA-N -1 1 420.534 4.426 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000476184960 891117970 /nfs/dbraw/zinc/11/79/70/891117970.db2.gz WKCDPNQZUHSNGO-HXUWFJFHSA-N -1 1 406.507 4.117 20 0 HIADMM COC(=O)c1cccc(CS(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000476191298 891122519 /nfs/dbraw/zinc/12/25/19/891122519.db2.gz FGWKWEPRRSLIEN-UHFFFAOYSA-N -1 1 407.797 4.087 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)ccc1F ZINC000476395540 891311350 /nfs/dbraw/zinc/31/13/50/891311350.db2.gz FPSSFJWPEHCYKX-UHFFFAOYSA-N -1 1 408.495 4.208 20 0 HIADMM Cc1cc(F)c(Br)cc1NC(=O)c1nc[n-]c1C(=O)c1ccccc1 ZINC000476453599 891366702 /nfs/dbraw/zinc/36/67/02/891366702.db2.gz ADLWIZXXGCWQIJ-UHFFFAOYSA-N -1 1 402.223 4.103 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1c[nH]c2cc(F)ccc12 ZINC000476880753 891839013 /nfs/dbraw/zinc/83/90/13/891839013.db2.gz LGEZRRPFWMVDPQ-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM CSCc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1 ZINC000477167317 892090107 /nfs/dbraw/zinc/09/01/07/892090107.db2.gz VWAOCQVYOWXFTM-UHFFFAOYSA-N -1 1 400.525 4.462 20 0 HIADMM CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)c1 ZINC000477373427 892335325 /nfs/dbraw/zinc/33/53/25/892335325.db2.gz LHYSEOMKNOBSFO-UHFFFAOYSA-N -1 1 413.543 4.340 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)C(C)C)cc1 ZINC000477775753 892859854 /nfs/dbraw/zinc/85/98/54/892859854.db2.gz GRLXROSAMPHBLD-UHFFFAOYSA-N -1 1 412.511 4.440 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(C4CCCC4)C3)c2)cc1F ZINC000477942216 893032106 /nfs/dbraw/zinc/03/21/06/893032106.db2.gz SWXLQIDVNXWOHP-UHFFFAOYSA-N -1 1 416.518 4.197 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000478177920 893342662 /nfs/dbraw/zinc/34/26/62/893342662.db2.gz GHCQOROCGMLLDC-IBGZPJMESA-N -1 1 424.497 4.256 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000478177923 893343010 /nfs/dbraw/zinc/34/30/10/893343010.db2.gz GHCQOROCGMLLDC-LJQANCHMSA-N -1 1 424.497 4.256 20 0 HIADMM CC[C@H]1CCc2c(sc3nc(-c4cnc(OCC(F)(F)F)cn4)[n-]c(=O)c23)C1 ZINC000478233010 893394156 /nfs/dbraw/zinc/39/41/56/893394156.db2.gz SCOIGZFNMYZBLP-VIFPVBQESA-N -1 1 410.421 4.310 20 0 HIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000505050889 913790943 /nfs/dbraw/zinc/79/09/43/913790943.db2.gz MCYSPWCCYPVJJC-UHFFFAOYSA-N -1 1 407.557 4.156 20 0 HIADMM C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478398812 893682417 /nfs/dbraw/zinc/68/24/17/893682417.db2.gz JWJWAIBKBUXPJQ-OAHLLOKOSA-N -1 1 414.458 4.033 20 0 HIADMM COc1cc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc(Cl)c1[O-] ZINC000478482318 893805969 /nfs/dbraw/zinc/80/59/69/893805969.db2.gz BOTZVVVEKPXSDJ-CYBMUJFWSA-N -1 1 424.202 4.190 20 0 HIADMM Cc1coc(-c2cc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)ccc2C)n1 ZINC000478519977 893826664 /nfs/dbraw/zinc/82/66/64/893826664.db2.gz HDWRPNQTMUSSPC-UHFFFAOYSA-N -1 1 415.453 4.006 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000478534882 893836221 /nfs/dbraw/zinc/83/62/21/893836221.db2.gz AAINTISSQYXOFX-UAPYVXQJSA-N -1 1 422.916 4.201 20 0 HIADMM C[C@@H](CN(C)C(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)c1nn[n-]n1 ZINC000478578283 893856843 /nfs/dbraw/zinc/85/68/43/893856843.db2.gz ALOMTBPMQCBIAW-JTQLQIEISA-N -1 1 408.264 4.188 20 0 HIADMM C[C@@H](CN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nn[n-]n1 ZINC000478583042 893859677 /nfs/dbraw/zinc/85/96/77/893859677.db2.gz RVOJMEWABPFDNA-NSHDSACASA-N -1 1 406.273 4.175 20 0 HIADMM C[C@@H](CN(C)C(=O)c1oc2ccccc2c1CSC1CCCCC1)c1nn[n-]n1 ZINC000478600354 893868216 /nfs/dbraw/zinc/86/82/16/893868216.db2.gz SUBDZARGGYREKS-AWEZNQCLSA-N -1 1 413.547 4.388 20 0 HIADMM Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000478603135 893868949 /nfs/dbraw/zinc/86/89/49/893868949.db2.gz QELGUDMCCFAOBK-CYBMUJFWSA-N -1 1 401.923 4.188 20 0 HIADMM CCc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)s1 ZINC000478723272 893995736 /nfs/dbraw/zinc/99/57/36/893995736.db2.gz ABFIRNBHSIUDIL-UHFFFAOYSA-N -1 1 418.515 4.180 20 0 HIADMM CCSc1ccc([C@H](C)NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000505160957 913851810 /nfs/dbraw/zinc/85/18/10/913851810.db2.gz UARMLTGORXQXAC-HNNXBMFYSA-N -1 1 422.554 4.475 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc2ncsc2c1 ZINC000479064796 894327019 /nfs/dbraw/zinc/32/70/19/894327019.db2.gz REGVJVZVBVYVKE-UHFFFAOYSA-N -1 1 410.524 4.297 20 0 HIADMM CC[C@@H](C)CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000505179275 913864643 /nfs/dbraw/zinc/86/46/43/913864643.db2.gz GLNSGPDAJGRERE-OAHLLOKOSA-N -1 1 418.515 4.023 20 0 HIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000479146847 894414623 /nfs/dbraw/zinc/41/46/23/894414623.db2.gz XQKKIICSFXTZEI-UHFFFAOYSA-N -1 1 416.247 4.372 20 0 HIADMM CCn1nc(C(C)C)cc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000479162159 894431424 /nfs/dbraw/zinc/43/14/24/894431424.db2.gz LGUVPFFLGVGNCX-UHFFFAOYSA-N -1 1 412.515 4.080 20 0 HIADMM C[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000479377397 894679287 /nfs/dbraw/zinc/67/92/87/894679287.db2.gz JHPQRTGOLKRPLX-NSHDSACASA-N -1 1 420.840 4.069 20 0 HIADMM CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(Br)c([O-])c1)CC2 ZINC000479388724 894689558 /nfs/dbraw/zinc/68/95/58/894689558.db2.gz JZSBQRDHIQICSQ-UHFFFAOYSA-N -1 1 420.303 4.151 20 0 HIADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000479407347 894715709 /nfs/dbraw/zinc/71/57/09/894715709.db2.gz FECLOLJPTFPGGT-IFXJQAMLSA-N -1 1 404.507 4.196 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c(Cl)c1 ZINC000479513348 894826152 /nfs/dbraw/zinc/82/61/52/894826152.db2.gz DZWZSXYDMHBGJK-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479518766 894829785 /nfs/dbraw/zinc/82/97/85/894829785.db2.gz SCWWTMICUGBEAE-AWEZNQCLSA-N -1 1 415.540 4.112 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)c2ccccc12 ZINC000479536299 894840957 /nfs/dbraw/zinc/84/09/57/894840957.db2.gz KXJSQHYNBDLEND-UHFFFAOYSA-N -1 1 411.483 4.017 20 0 HIADMM Cc1ccc(NC(=O)C(C)(C)c2cccnc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000479880337 895224064 /nfs/dbraw/zinc/22/40/64/895224064.db2.gz ABYPYVJFAKUIKU-UHFFFAOYSA-N -1 1 409.511 4.107 20 0 HIADMM CC[C@@H](C)n1nc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000479881126 895225783 /nfs/dbraw/zinc/22/57/83/895225783.db2.gz CFTYFWNHWUVUJN-OAHLLOKOSA-N -1 1 412.515 4.216 20 0 HIADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000505292934 913950036 /nfs/dbraw/zinc/95/00/36/913950036.db2.gz BKDAFZVDIBLVHR-UHFFFAOYSA-N -1 1 402.335 4.371 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)cc1C ZINC000505298962 913957182 /nfs/dbraw/zinc/95/71/82/913957182.db2.gz FSHASLWDHSTZHD-UHFFFAOYSA-N -1 1 407.385 4.193 20 0 HIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480242754 895652171 /nfs/dbraw/zinc/65/21/71/895652171.db2.gz CETHSLSGEWQEBQ-UHFFFAOYSA-N -1 1 414.449 4.495 20 0 HIADMM CC(C)[C@H]1N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1(C)C ZINC000480321834 895723062 /nfs/dbraw/zinc/72/30/62/895723062.db2.gz WTBZUCUXOQNFMU-LJQANCHMSA-N -1 1 404.507 4.133 20 0 HIADMM O=S(=O)([N-]CC1CCN(c2ccccc2)CC1)c1cc(Cl)sc1Cl ZINC000480386708 895793833 /nfs/dbraw/zinc/79/38/33/895793833.db2.gz LBVWIFMLENCSBA-UHFFFAOYSA-N -1 1 405.372 4.250 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccnn1C1CCCC1 ZINC000480414124 895812619 /nfs/dbraw/zinc/81/26/19/895812619.db2.gz HNEPGLSTMXUZPL-UHFFFAOYSA-N -1 1 410.499 4.051 20 0 HIADMM CCS[C@H]1CCCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000480422767 895818411 /nfs/dbraw/zinc/81/84/11/895818411.db2.gz UVNRPQBWYSTHEH-IBGZPJMESA-N -1 1 418.584 4.235 20 0 HIADMM CCS[C@@H]1CCCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000480422769 895818425 /nfs/dbraw/zinc/81/84/25/895818425.db2.gz UVNRPQBWYSTHEH-LJQANCHMSA-N -1 1 418.584 4.235 20 0 HIADMM O=S(=O)([N-][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1sccc1Br ZINC000480748061 896109147 /nfs/dbraw/zinc/10/91/47/896109147.db2.gz GGSOYGMYMKUDGN-WCQYABFASA-N -1 1 404.326 4.264 20 0 HIADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000481002278 896333514 /nfs/dbraw/zinc/33/35/14/896333514.db2.gz IGKNVMSUZXDOJI-RBUKOAKNSA-N -1 1 422.547 4.031 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC[C@@H](C2CC2)C1 ZINC000481011793 896343650 /nfs/dbraw/zinc/34/36/50/896343650.db2.gz YOKAJYBNGMVVMS-MRXNPFEDSA-N -1 1 404.919 4.013 20 0 HIADMM O=S(=O)([N-][C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1sccc1Br ZINC000481259346 896609907 /nfs/dbraw/zinc/60/99/07/896609907.db2.gz ZTDVZMQTKCYNBG-DGCLKSJQSA-N -1 1 404.326 4.264 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(Cl)o1 ZINC000481348562 896720296 /nfs/dbraw/zinc/72/02/96/896720296.db2.gz ARNLSZMFVUTPNR-UHFFFAOYSA-N -1 1 412.801 4.264 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C(F)F)cc2)cc1C ZINC000505430918 914095864 /nfs/dbraw/zinc/09/58/64/914095864.db2.gz KTNVNHZGJXHPMR-IBGZPJMESA-N -1 1 422.497 4.364 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Nc2ccc(C)cc2)ccc1[O-] ZINC000481430089 896831011 /nfs/dbraw/zinc/83/10/11/896831011.db2.gz AVVWVUKAFYAXTP-UHFFFAOYSA-N -1 1 411.483 4.203 20 0 HIADMM CCOC(=O)COc1cccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCS4)c1 ZINC000481545714 896908149 /nfs/dbraw/zinc/90/81/49/896908149.db2.gz OOBNYDBZJBNBCA-UHFFFAOYSA-N -1 1 402.497 4.044 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC[C@@H]3C(F)F)ccc2C)cc1 ZINC000505447805 914114504 /nfs/dbraw/zinc/11/45/04/914114504.db2.gz ONKRRRKTZLIHPN-GOSISDBHSA-N -1 1 422.497 4.364 20 0 HIADMM O=S(=O)([N-]C1CC(F)(c2cccc(Cl)c2)C1)c1cnccc1C(F)(F)F ZINC000481586999 896966394 /nfs/dbraw/zinc/96/63/94/896966394.db2.gz ZVLVJLATRKMQOH-UHFFFAOYSA-N -1 1 408.804 4.060 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(-c3cncnc3)cc2F)c1 ZINC000481705767 897095590 /nfs/dbraw/zinc/09/55/90/897095590.db2.gz FIVDZGCELWGGJR-UHFFFAOYSA-N -1 1 402.223 4.312 20 0 HIADMM CN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)c([O-])c1 ZINC000481878648 897250760 /nfs/dbraw/zinc/25/07/60/897250760.db2.gz HFYQSMBUYFANKC-UHFFFAOYSA-N -1 1 405.111 4.251 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1Cl ZINC000481949891 897337642 /nfs/dbraw/zinc/33/76/42/897337642.db2.gz AKYWHULUTXILGB-UHFFFAOYSA-N -1 1 404.822 4.009 20 0 HIADMM Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000481960342 897348985 /nfs/dbraw/zinc/34/89/85/897348985.db2.gz MNYQSOXZRQZCEG-UHFFFAOYSA-N -1 1 405.806 4.057 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1Cl ZINC000481973920 897366479 /nfs/dbraw/zinc/36/64/79/897366479.db2.gz AYPUCLVLXXUFGR-UHFFFAOYSA-N -1 1 405.863 4.063 20 0 HIADMM O=C(N[C@@H](c1ccccc1)C(F)F)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000481984071 897378830 /nfs/dbraw/zinc/37/88/30/897378830.db2.gz MEIOZFMAPAYENV-IBGZPJMESA-N -1 1 416.449 4.224 20 0 HIADMM Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2Br)c(Cl)cc1Cl ZINC000481984103 897379185 /nfs/dbraw/zinc/37/91/85/897379185.db2.gz MKRMFDYYZPORGG-UHFFFAOYSA-N -1 1 414.083 4.399 20 0 HIADMM O=C(Nc1nc(-c2ccccc2F)co1)c1ccc(I)c([O-])c1 ZINC000482122923 897577991 /nfs/dbraw/zinc/57/79/91/897577991.db2.gz QZHGMQKATHJVPZ-UHFFFAOYSA-N -1 1 424.169 4.043 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(F)cc1F ZINC000482145352 897607004 /nfs/dbraw/zinc/60/70/04/897607004.db2.gz UCWKFXLSEPATLY-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CNS(=O)(=O)c1csc(C(=O)[N-]c2cccc(Cl)c2SC(C)C)c1 ZINC000482264189 897748619 /nfs/dbraw/zinc/74/86/19/897748619.db2.gz FIYNDBKKKCNOED-UHFFFAOYSA-N -1 1 404.966 4.062 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1 ZINC000482636401 898241167 /nfs/dbraw/zinc/24/11/67/898241167.db2.gz SZKXGDKNTJWVJD-RISCZKNCSA-N -1 1 403.276 4.310 20 0 HIADMM CCc1c(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cnn1C(CC)CC ZINC000482684189 898285343 /nfs/dbraw/zinc/28/53/43/898285343.db2.gz QXXFRHALPKZSCL-UHFFFAOYSA-N -1 1 422.533 4.244 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000482697435 898297810 /nfs/dbraw/zinc/29/78/10/898297810.db2.gz SNYDFKMYDCGMBK-SECBINFHSA-N -1 1 407.289 4.148 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccn(C(C)C)n3)cc2)c1C ZINC000482749334 898355566 /nfs/dbraw/zinc/35/55/66/898355566.db2.gz SNHBWEHGVJZNBT-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM CC(C)n1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1 ZINC000482758724 898364465 /nfs/dbraw/zinc/36/44/65/898364465.db2.gz KANOZGUEVBLMQH-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)o1 ZINC000482768046 898376140 /nfs/dbraw/zinc/37/61/40/898376140.db2.gz CKHNOADTNDEFJD-UHFFFAOYSA-N -1 1 424.522 4.226 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCc3cc(-c4ccccc4)ccc32)c(=O)[n-]1 ZINC000482769116 898377241 /nfs/dbraw/zinc/37/72/41/898377241.db2.gz KAAGUCJDOXQIDP-UHFFFAOYSA-N -1 1 405.523 4.401 20 0 HIADMM Cc1ccc2c(c1)CN(C(=O)c1ccc(S(=O)(=O)[N-]c3ccccc3C)cc1)C2 ZINC000482836702 898445544 /nfs/dbraw/zinc/44/55/44/898445544.db2.gz HPMIGWRWSMLRBV-UHFFFAOYSA-N -1 1 406.507 4.260 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCSCC[C@H]3C)c2)c1 ZINC000482948452 898574886 /nfs/dbraw/zinc/57/48/86/898574886.db2.gz OPJYGVKFLMLOQL-QGZVFWFLSA-N -1 1 418.584 4.072 20 0 HIADMM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cc(Cl)c([O-])c(OCC)c2)n1 ZINC000482952209 898581058 /nfs/dbraw/zinc/58/10/58/898581058.db2.gz XKZYADBVLLQHKD-AWEZNQCLSA-N -1 1 424.906 4.055 20 0 HIADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(Br)c([O-])c1 ZINC000483179382 898844964 /nfs/dbraw/zinc/84/49/64/898844964.db2.gz FXEXOCUNDLEYMJ-UHFFFAOYSA-N -1 1 414.303 4.250 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccn4)nc3c2)cc1Cl ZINC000484138666 899759345 /nfs/dbraw/zinc/75/93/45/899759345.db2.gz SUZFQDZBYPZODN-UHFFFAOYSA-N -1 1 414.874 4.088 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000484438263 899945093 /nfs/dbraw/zinc/94/50/93/899945093.db2.gz MWLWZVXKICYVRB-KRWDZBQOSA-N -1 1 420.488 4.031 20 0 HIADMM O=C([O-])c1ccc(NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c(F)c1 ZINC000484535123 900021605 /nfs/dbraw/zinc/02/16/05/900021605.db2.gz DMYNGYLJOIJLJR-UHFFFAOYSA-N -1 1 412.851 4.102 20 0 HIADMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Br)sc1C ZINC000484571220 900040868 /nfs/dbraw/zinc/04/08/68/900040868.db2.gz LKUMMQFCXSSZGF-UHFFFAOYSA-N -1 1 422.347 4.040 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2F)cc1 ZINC000484667271 900109877 /nfs/dbraw/zinc/10/98/77/900109877.db2.gz ZZYQPMNVKHHQJK-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(Br)s1 ZINC000484788683 900196177 /nfs/dbraw/zinc/19/61/77/900196177.db2.gz RSJIHCPRSUDCCN-RKDXNWHRSA-N -1 1 406.289 4.158 20 0 HIADMM CCSc1cccc(Br)c1[N-]C(=O)c1csc(NC(C)=O)n1 ZINC000484889492 900273662 /nfs/dbraw/zinc/27/36/62/900273662.db2.gz CKWOMWDIKPKCHC-UHFFFAOYSA-N -1 1 400.323 4.228 20 0 HIADMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Oc2ccccc2)cc1F ZINC000485076236 900395220 /nfs/dbraw/zinc/39/52/20/900395220.db2.gz GIDTWGIQEGPLAD-UHFFFAOYSA-N -1 1 417.414 4.126 20 0 HIADMM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000485105095 900412868 /nfs/dbraw/zinc/41/28/68/900412868.db2.gz PEXMMBRDINAVMQ-UHFFFAOYSA-N -1 1 407.557 4.092 20 0 HIADMM CC(C)(C)C[C@@H](O)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000485422123 900720418 /nfs/dbraw/zinc/72/04/18/900720418.db2.gz NXCCCGKTLKAJOK-KRWDZBQOSA-N -1 1 424.950 4.267 20 0 HIADMM CCCCc1nc2ccc(NC(=O)c3ccc(OCC(=O)[O-])c(OCC)c3)cc2[nH]1 ZINC000485646478 900897585 /nfs/dbraw/zinc/89/75/85/900897585.db2.gz XVHCEOFUSLJBPZ-UHFFFAOYSA-N -1 1 411.458 4.020 20 0 HIADMM COc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)c(C(F)(F)F)c1 ZINC000486018775 901225862 /nfs/dbraw/zinc/22/58/62/901225862.db2.gz PXMLFOVEIOMDFC-UHFFFAOYSA-N -1 1 404.182 4.112 20 0 HIADMM Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000486109310 901296713 /nfs/dbraw/zinc/29/67/13/901296713.db2.gz MMZBQMVMHDAGSV-UHFFFAOYSA-N -1 1 417.284 4.277 20 0 HIADMM Cc1ccc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000486174763 901361577 /nfs/dbraw/zinc/36/15/77/901361577.db2.gz AGLHIACVRRFXHA-UHFFFAOYSA-N -1 1 414.914 4.379 20 0 HIADMM Cc1cscc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000486710491 901806868 /nfs/dbraw/zinc/80/68/68/901806868.db2.gz OWSROBMJKGLFSY-UHFFFAOYSA-N -1 1 408.451 4.388 20 0 HIADMM CSc1cc2c(cc1[N-]C(=O)c1cc3sc(N(C)C)nc3s1)OCCO2 ZINC000505921565 914567971 /nfs/dbraw/zinc/56/79/71/914567971.db2.gz USZDYLLODCFMFW-UHFFFAOYSA-N -1 1 407.542 4.169 20 0 HIADMM Cc1nc([C@H]2CCCN2C(=O)c2c([O-])cnc3c(Br)cccc32)cs1 ZINC000487097855 902056935 /nfs/dbraw/zinc/05/69/35/902056935.db2.gz HQLRFVVXHCCOCA-CQSZACIVSA-N -1 1 418.316 4.445 20 0 HIADMM COc1ccccc1C(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000487147844 902075768 /nfs/dbraw/zinc/07/57/68/902075768.db2.gz JFDLQNRQMVLMQH-UHFFFAOYSA-N -1 1 424.522 4.161 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000487149738 902076671 /nfs/dbraw/zinc/07/66/71/902076671.db2.gz BPCKTXYUKHKOJX-NSHDSACASA-N -1 1 423.266 4.423 20 0 HIADMM Cc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)c1 ZINC000487623687 902256483 /nfs/dbraw/zinc/25/64/83/902256483.db2.gz CLYVQZDORMBTCY-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM CC1(C)C[C@@H]1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000488079822 902587327 /nfs/dbraw/zinc/58/73/27/902587327.db2.gz WVINBRZFJZRQOK-CYBMUJFWSA-N -1 1 410.898 4.056 20 0 HIADMM O=C(Nc1ccc2c(c1)CCCO2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000505995805 914664852 /nfs/dbraw/zinc/66/48/52/914664852.db2.gz JMLRKBPLYPUSSN-UHFFFAOYSA-N -1 1 408.479 4.065 20 0 HIADMM Cc1ccccc1C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000488889781 903059826 /nfs/dbraw/zinc/05/98/26/903059826.db2.gz YZUVAAUMWWCVDV-GOSISDBHSA-N -1 1 408.523 4.157 20 0 HIADMM O=S(=O)([N-][C@H]1CCSc2ccccc21)c1cc(Br)c(F)cc1F ZINC000488891457 903061384 /nfs/dbraw/zinc/06/13/84/903061384.db2.gz OWZHQTRJTBZKNH-ZDUSSCGKSA-N -1 1 420.300 4.243 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000489061717 903166176 /nfs/dbraw/zinc/16/61/76/903166176.db2.gz JNVCXUHWYRUZKT-QFIPXVFZSA-N -1 1 402.498 4.143 20 0 HIADMM CSC[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000489285087 903308471 /nfs/dbraw/zinc/30/84/71/903308471.db2.gz ACFZQRAKZALIDN-KRWDZBQOSA-N -1 1 424.975 4.108 20 0 HIADMM Cc1coc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)ccc2C)n1 ZINC000489630508 903506136 /nfs/dbraw/zinc/50/61/36/903506136.db2.gz LTLXZASOULRUGT-UHFFFAOYSA-N -1 1 406.847 4.111 20 0 HIADMM COc1c(Cl)cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1Cl ZINC000489693434 903543457 /nfs/dbraw/zinc/54/34/57/903543457.db2.gz DOXCYHIVNGTXBC-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000489738136 903568401 /nfs/dbraw/zinc/56/84/01/903568401.db2.gz CKUXVFLISLIHSG-UHFFFAOYSA-N -1 1 408.321 4.489 20 0 HIADMM CC(C)c1nc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)nn1-c1cccc(F)c1 ZINC000490360483 903953883 /nfs/dbraw/zinc/95/38/83/903953883.db2.gz CXGVXWPMPOFLOB-CMDGGOBGSA-N -1 1 424.461 4.397 20 0 HIADMM Cc1[n-]c(S(=O)(=O)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nc1-c1ccccc1 ZINC000490477519 904032451 /nfs/dbraw/zinc/03/24/51/904032451.db2.gz QFNJADOBFVEVNN-AWEZNQCLSA-N -1 1 417.918 4.148 20 0 HIADMM Cc1ccc(C(=O)Nc2c(C)cccc2O)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000490685497 904172506 /nfs/dbraw/zinc/17/25/06/904172506.db2.gz VIIPOVTUUAEMHZ-UHFFFAOYSA-N -1 1 414.458 4.201 20 0 HIADMM CC(C)n1cccc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000491430400 904591680 /nfs/dbraw/zinc/59/16/80/904591680.db2.gz CJGMYEYPEZUBNS-UHFFFAOYSA-N -1 1 401.463 4.261 20 0 HIADMM COc1cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cc(Cl)c1[O-] ZINC000491455565 904603670 /nfs/dbraw/zinc/60/36/70/904603670.db2.gz ITVONHQHJUWFKB-UHFFFAOYSA-N -1 1 423.918 4.413 20 0 HIADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000491543672 904643778 /nfs/dbraw/zinc/64/37/78/904643778.db2.gz HADUARYOYITLQB-UHFFFAOYSA-N -1 1 409.467 4.048 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000491579194 904660309 /nfs/dbraw/zinc/66/03/09/904660309.db2.gz ODEWFIQVIUWKAK-MRVPVSSYSA-N -1 1 411.833 4.079 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)ccc1C ZINC000491608293 904674567 /nfs/dbraw/zinc/67/45/67/904674567.db2.gz WPIKBDYJDFFKMA-UHFFFAOYSA-N -1 1 420.494 4.298 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4)nc3c2)ccc1C ZINC000491608293 904674582 /nfs/dbraw/zinc/67/45/82/904674582.db2.gz WPIKBDYJDFFKMA-UHFFFAOYSA-N -1 1 420.494 4.298 20 0 HIADMM O=c1cc(C(F)(F)F)nc(CNc2cc(F)c(Br)c(Cl)c2)[n-]1 ZINC000506217146 914848856 /nfs/dbraw/zinc/84/88/56/914848856.db2.gz JCPCSLMFABGFLJ-UHFFFAOYSA-N -1 1 400.557 4.368 20 0 HIADMM Cc1ccc(C(=O)N[C@@H](C)CC2CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000494021692 905362883 /nfs/dbraw/zinc/36/28/83/905362883.db2.gz YVAAALITRFYKHD-AWEZNQCLSA-N -1 1 406.935 4.368 20 0 HIADMM Cc1ccsc1S(=O)(=O)[N-][C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000512426598 921153122 /nfs/dbraw/zinc/15/31/22/921153122.db2.gz LQMIBKCNRKIILD-LLVKDONJSA-N -1 1 401.378 4.240 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC(C)(C)C2)cc1 ZINC000494477968 905759506 /nfs/dbraw/zinc/75/95/06/905759506.db2.gz XXRCCZAFAJBIFS-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM CC(C)Oc1cc(CN(C(=O)c2ccc(Br)c([O-])c2)C2CC2)ccn1 ZINC000495441317 906453343 /nfs/dbraw/zinc/45/33/43/906453343.db2.gz HBZLHVVNOZBUHT-UHFFFAOYSA-N -1 1 405.292 4.142 20 0 HIADMM CCOC(=O)C(=C([O-])CSc1ncc(-c2ccc(F)cc2)o1)c1nc(C)cs1 ZINC000495454061 906459151 /nfs/dbraw/zinc/45/91/51/906459151.db2.gz HJKDRNVNXFCEQT-MRXNPFEDSA-N -1 1 420.487 4.254 20 0 HIADMM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2ccc(Br)c([O-])c2)c(C)c1 ZINC000496016077 906600101 /nfs/dbraw/zinc/60/01/01/906600101.db2.gz YMUGKHPFYXULCQ-GOSISDBHSA-N -1 1 414.303 4.139 20 0 HIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)cc1 ZINC000512602085 921256346 /nfs/dbraw/zinc/25/63/46/921256346.db2.gz MUQITWOEUDAPGZ-UHFFFAOYSA-N -1 1 408.951 4.431 20 0 HIADMM O=C(NC1(c2ccccc2)CCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000497360072 906851808 /nfs/dbraw/zinc/85/18/08/906851808.db2.gz ATRJRKMDJNNROQ-UHFFFAOYSA-N -1 1 406.507 4.297 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)cc2s1 ZINC000512732945 921298772 /nfs/dbraw/zinc/29/87/72/921298772.db2.gz IQPOWZNKCWSDIB-UHFFFAOYSA-N -1 1 409.492 4.149 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(Br)cc1F)c1ccccc1OC(F)F ZINC000512746495 921300602 /nfs/dbraw/zinc/30/06/02/921300602.db2.gz JCLCPRNDXQXAJW-UHFFFAOYSA-N -1 1 414.174 4.130 20 0 HIADMM O=C(Nc1ccc2[nH]ccc2c1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000497841626 907321484 /nfs/dbraw/zinc/32/14/84/907321484.db2.gz FZOGCZQDOUWCIK-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM COc1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)sc1Br ZINC000497977365 907449880 /nfs/dbraw/zinc/44/98/80/907449880.db2.gz RCGWYUVSSCLBRK-UHFFFAOYSA-N -1 1 402.320 4.352 20 0 HIADMM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000497979556 907453990 /nfs/dbraw/zinc/45/39/90/907453990.db2.gz GAGOZQVBNWPLKA-UHFFFAOYSA-N -1 1 411.512 4.493 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C4CC4)n3)c2)cc1 ZINC000498076964 907586991 /nfs/dbraw/zinc/58/69/91/907586991.db2.gz KPJHPNCYVJYZLN-UHFFFAOYSA-N -1 1 423.494 4.021 20 0 HIADMM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498202364 907734912 /nfs/dbraw/zinc/73/49/12/907734912.db2.gz QXARCXNDNYGAHZ-NRFANRHFSA-N -1 1 416.543 4.472 20 0 HIADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498209676 907740718 /nfs/dbraw/zinc/74/07/18/907740718.db2.gz JDVYDOXUSZDTLD-JXFKEZNVSA-N -1 1 402.516 4.021 20 0 HIADMM O=C(NCc1cccc(F)c1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000498274211 907809923 /nfs/dbraw/zinc/80/99/23/907809923.db2.gz DRWCPENHVOWQRK-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM CC(C)c1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)nn1-c1ccccc1Cl ZINC000498388727 907874559 /nfs/dbraw/zinc/87/45/59/907874559.db2.gz OIGKCDDCKXFXRY-UHFFFAOYSA-N -1 1 404.927 4.445 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1 ZINC000498406753 907885642 /nfs/dbraw/zinc/88/56/42/907885642.db2.gz DDAXEACOGJSLCJ-IFXJQAMLSA-N -1 1 404.507 4.243 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc1 ZINC000498406754 907886407 /nfs/dbraw/zinc/88/64/07/907886407.db2.gz DDAXEACOGJSLCJ-KUHUBIRLSA-N -1 1 404.507 4.243 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2C)cc1 ZINC000498413798 907890114 /nfs/dbraw/zinc/89/01/14/907890114.db2.gz FUMOUDHBZNSHIA-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC3CCCCC3)cc2)c1 ZINC000498425287 907896356 /nfs/dbraw/zinc/89/63/56/907896356.db2.gz XMCODIPGWXWUKE-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000498483497 907955331 /nfs/dbraw/zinc/95/53/31/907955331.db2.gz JZGWDXHVJCQDBR-UHFFFAOYSA-N -1 1 412.486 4.207 20 0 HIADMM CCCN(CC(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000498723012 908149204 /nfs/dbraw/zinc/14/92/04/908149204.db2.gz SDJKHXWSXNOBCL-UHFFFAOYSA-N -1 1 410.486 4.222 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000498844739 908248555 /nfs/dbraw/zinc/24/85/55/908248555.db2.gz IXSUPNHFIZYWAU-UHFFFAOYSA-N -1 1 416.886 4.407 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3O)ccc2C)cc1 ZINC000498844764 908248964 /nfs/dbraw/zinc/24/89/64/908248964.db2.gz JHRCZZIHBAFAAG-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM CCN(Cc1ccccc1C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000498935049 908344695 /nfs/dbraw/zinc/34/46/95/908344695.db2.gz VIZZKTSASAJAMD-UHFFFAOYSA-N -1 1 408.523 4.458 20 0 HIADMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000512942096 921428661 /nfs/dbraw/zinc/42/86/61/921428661.db2.gz CKQPCHABHMZKIY-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM CCCc1nnc([N-]C(=O)c2nc(CC)n(-c3c(Cl)cccc3Cl)n2)s1 ZINC000499294411 908667783 /nfs/dbraw/zinc/66/77/83/908667783.db2.gz WNWYODDFRPYGFI-UHFFFAOYSA-N -1 1 411.318 4.193 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000499501382 908818783 /nfs/dbraw/zinc/81/87/83/908818783.db2.gz FFUAJSYYXLVWIX-LBPRGKRZSA-N -1 1 413.465 4.384 20 0 HIADMM CC(C)Oc1ccccc1CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000499669259 908871998 /nfs/dbraw/zinc/87/19/98/908871998.db2.gz MLEFMUNPHWAJNU-UHFFFAOYSA-N -1 1 424.522 4.456 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cc(Br)sc1Cl ZINC000499704775 908882750 /nfs/dbraw/zinc/88/27/50/908882750.db2.gz ANKYPRIEVPOLRL-ZETCQYMHSA-N -1 1 408.717 4.268 20 0 HIADMM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(Br)c([O-])c3)cc2)n1 ZINC000499835664 908970273 /nfs/dbraw/zinc/97/02/73/908970273.db2.gz HARNDQJSUINBOW-CQSZACIVSA-N -1 1 414.303 4.448 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@H](c2ccccc2F)C1 ZINC000500075320 909543385 /nfs/dbraw/zinc/54/33/85/909543385.db2.gz OAQBIJZUZCBXFD-SFHVURJKSA-N -1 1 424.497 4.256 20 0 HIADMM CC(C)C[C@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000500139738 909616011 /nfs/dbraw/zinc/61/60/11/909616011.db2.gz AHDOCYOHISJEAA-QGZVFWFLSA-N -1 1 422.497 4.416 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1)c1ccoc1 ZINC000500291855 909761984 /nfs/dbraw/zinc/76/19/84/909761984.db2.gz RGKWPQLBFADZIW-UHFFFAOYSA-N -1 1 421.272 4.095 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1C(F)(F)F ZINC000500296432 909762937 /nfs/dbraw/zinc/76/29/37/909762937.db2.gz KAZJEEVOXLVWEM-UHFFFAOYSA-N -1 1 400.422 4.409 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1C(F)(F)F ZINC000500325526 909786463 /nfs/dbraw/zinc/78/64/63/909786463.db2.gz FULYMGNLUIBTCB-UHFFFAOYSA-N -1 1 412.433 4.051 20 0 HIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000500341891 909801018 /nfs/dbraw/zinc/80/10/18/909801018.db2.gz AEHPWTFNRICYOL-UHFFFAOYSA-N -1 1 414.449 4.297 20 0 HIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000500474758 909878602 /nfs/dbraw/zinc/87/86/02/909878602.db2.gz IMAPJTBCLVARJO-UHFFFAOYSA-N -1 1 420.760 4.373 20 0 HIADMM Cc1ncc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)s1 ZINC000500869947 910140420 /nfs/dbraw/zinc/14/04/20/910140420.db2.gz VXAWKNKLQWKJGL-UHFFFAOYSA-N -1 1 407.904 4.158 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC=C(c2ccccc2F)C1 ZINC000501592956 910700948 /nfs/dbraw/zinc/70/09/48/910700948.db2.gz AZYMSPMWLPXXNA-UHFFFAOYSA-N -1 1 422.481 4.166 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000501619542 910721100 /nfs/dbraw/zinc/72/11/00/910721100.db2.gz QNSGFJORCMOPII-UHFFFAOYSA-N -1 1 406.552 4.067 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3CCC(F)(F)CC3)c2)c1 ZINC000501811908 910862954 /nfs/dbraw/zinc/86/29/54/910862954.db2.gz CQODNZFWTPXFBB-UHFFFAOYSA-N -1 1 422.497 4.351 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1OC(F)F ZINC000513357034 921735739 /nfs/dbraw/zinc/73/57/39/921735739.db2.gz KLMIIHSXYVPCAO-UHFFFAOYSA-N -1 1 404.394 4.116 20 0 HIADMM C[C@H]1CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H](C)C1 ZINC000506503465 915124027 /nfs/dbraw/zinc/12/40/27/915124027.db2.gz JPOVFPHTUXUWNI-ZWKOTPCHSA-N -1 1 415.559 4.065 20 0 HIADMM C[C@@H]1C[C@H](C)CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000506503463 915124735 /nfs/dbraw/zinc/12/47/35/915124735.db2.gz JPOVFPHTUXUWNI-QZTJIDSGSA-N -1 1 415.559 4.065 20 0 HIADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccccc1-c1cccs1)c1ccccc1 ZINC000506645691 915313946 /nfs/dbraw/zinc/31/39/46/915313946.db2.gz KQHROYZHOKOGDO-QGZVFWFLSA-N -1 1 401.509 4.114 20 0 HIADMM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000506707085 915383979 /nfs/dbraw/zinc/38/39/79/915383979.db2.gz VFQNLVVTOAAMHP-OLZOCXBDSA-N -1 1 410.923 4.467 20 0 HIADMM Cc1cc(=O)[nH]c(-c2ccc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)cc2)n1 ZINC000506709136 915386727 /nfs/dbraw/zinc/38/67/27/915386727.db2.gz YEYNAFQOYDNWGK-UHFFFAOYSA-N -1 1 417.490 4.213 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)c(Br)cc3F)cc2[nH]1 ZINC000506848527 915629365 /nfs/dbraw/zinc/62/93/65/915629365.db2.gz YVVXPOUFSPXGII-UHFFFAOYSA-N -1 1 418.675 4.227 20 0 HIADMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1 ZINC000507569811 916325550 /nfs/dbraw/zinc/32/55/50/916325550.db2.gz SHVNEPFTJOBUPB-UHFFFAOYSA-N -1 1 414.455 4.063 20 0 HIADMM CC(C)c1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnn1-c1ccccc1 ZINC000507907325 916778079 /nfs/dbraw/zinc/77/80/79/916778079.db2.gz VBAUKOMGJHQIOU-UHFFFAOYSA-N -1 1 402.520 4.223 20 0 HIADMM Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)c2C(C)C)cc1 ZINC000507908178 916781057 /nfs/dbraw/zinc/78/10/57/916781057.db2.gz ZNTBNLDMCHHPNP-UHFFFAOYSA-N -1 1 413.499 4.112 20 0 HIADMM CCCc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnn1-c1ccccc1C ZINC000507908607 916781484 /nfs/dbraw/zinc/78/14/84/916781484.db2.gz MHWXLUJNEUHJSZ-UHFFFAOYSA-N -1 1 416.547 4.361 20 0 HIADMM CCCc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnn1-c1cccc(F)c1 ZINC000507918484 916797808 /nfs/dbraw/zinc/79/78/08/916797808.db2.gz OLMHSUDCQJDQDG-UHFFFAOYSA-N -1 1 420.510 4.191 20 0 HIADMM O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507921542 916800373 /nfs/dbraw/zinc/80/03/73/916800373.db2.gz XEHJJUGFQKRMCM-AWEZNQCLSA-N -1 1 422.466 4.179 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1F ZINC000507980934 916827557 /nfs/dbraw/zinc/82/75/57/916827557.db2.gz VVNIXJVEYARSQB-UHFFFAOYSA-N -1 1 401.740 4.446 20 0 HIADMM CCc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnn1-c1cccc(Cl)c1 ZINC000507983787 916828501 /nfs/dbraw/zinc/82/85/01/916828501.db2.gz JVNILNUOXNJIHU-UHFFFAOYSA-N -1 1 422.938 4.316 20 0 HIADMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4)[nH]c3c2)c1 ZINC000507987858 916831006 /nfs/dbraw/zinc/83/10/06/916831006.db2.gz WLTPTZACJTXDAV-UHFFFAOYSA-N -1 1 423.494 4.186 20 0 HIADMM CCCCn1nccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000508034116 916864562 /nfs/dbraw/zinc/86/45/62/916864562.db2.gz XUSHZWZXQLKRRR-UHFFFAOYSA-N -1 1 412.515 4.045 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c(Cl)cc1F ZINC000508095988 916911616 /nfs/dbraw/zinc/91/16/16/916911616.db2.gz PVMOXCGUQJMVHT-UHFFFAOYSA-N -1 1 414.083 4.399 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)sc1Cl ZINC000508101332 916917323 /nfs/dbraw/zinc/91/73/23/916917323.db2.gz ZVSBFAJVJYXTBY-UHFFFAOYSA-N -1 1 402.122 4.322 20 0 HIADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000508219625 917037872 /nfs/dbraw/zinc/03/78/72/917037872.db2.gz CHQDIPGDZZNTMZ-QFIPXVFZSA-N -1 1 406.507 4.213 20 0 HIADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000508221365 917039673 /nfs/dbraw/zinc/03/96/73/917039673.db2.gz HCPLMINHOJGSNR-QFIPXVFZSA-N -1 1 424.497 4.352 20 0 HIADMM CC(C)c1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n[nH]1 ZINC000508725728 917488137 /nfs/dbraw/zinc/48/81/37/917488137.db2.gz AYKFLVGMBCUKCJ-UHFFFAOYSA-N -1 1 418.906 4.240 20 0 HIADMM O=C(Cc1ccc(O)cc1Cl)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000508792468 917549169 /nfs/dbraw/zinc/54/91/69/917549169.db2.gz CRIFWFRXQDGWEQ-UHFFFAOYSA-N -1 1 416.886 4.028 20 0 HIADMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2cccc(SC)c2)c1 ZINC000509075190 917819823 /nfs/dbraw/zinc/81/98/23/917819823.db2.gz OXYYMXGRMYPRGK-UHFFFAOYSA-N -1 1 411.570 4.006 20 0 HIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)cc2)o1 ZINC000509083429 917826666 /nfs/dbraw/zinc/82/66/66/917826666.db2.gz OHYKFAHJPWGHMV-UHFFFAOYSA-N -1 1 411.405 4.427 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000509165481 917880717 /nfs/dbraw/zinc/88/07/17/917880717.db2.gz KAXBAPVQACEFNA-UHFFFAOYSA-N -1 1 410.695 4.495 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc([O-])c(Cl)c3)CCCC2)c1 ZINC000509182582 917893116 /nfs/dbraw/zinc/89/31/16/917893116.db2.gz INFALNQHRIHNCW-UHFFFAOYSA-N -1 1 407.919 4.388 20 0 HIADMM CCCCOc1c(Cl)cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1OCC ZINC000509277159 917961750 /nfs/dbraw/zinc/96/17/50/917961750.db2.gz AIWCAFRARGKPDW-UHFFFAOYSA-N -1 1 423.897 4.026 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(F)(F)F)cc2)c1 ZINC000509383373 918050876 /nfs/dbraw/zinc/05/08/76/918050876.db2.gz HYGJWKAIMLZCLC-UHFFFAOYSA-N -1 1 404.435 4.100 20 0 HIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)N(C)C)c1C ZINC000509387438 918054346 /nfs/dbraw/zinc/05/43/46/918054346.db2.gz UXTXQBFZRIEIHF-UHFFFAOYSA-N -1 1 415.437 4.217 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N3CCCCC3)c2)c1 ZINC000509396706 918063842 /nfs/dbraw/zinc/06/38/42/918063842.db2.gz MSJZXDHVGRWNIM-UHFFFAOYSA-N -1 1 404.557 4.144 20 0 HIADMM O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000509521528 918170373 /nfs/dbraw/zinc/17/03/73/918170373.db2.gz RUIGCHDCZFVVKS-SFHVURJKSA-N -1 1 421.950 4.204 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)ccc1Br ZINC000509541823 918190420 /nfs/dbraw/zinc/19/04/20/918190420.db2.gz NBHIWSHPCGQCQO-UHFFFAOYSA-N -1 1 408.321 4.489 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1Br ZINC000509545465 918194476 /nfs/dbraw/zinc/19/44/76/918194476.db2.gz VMZQFUILLZCYLA-UHFFFAOYSA-N -1 1 424.320 4.189 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cc1Cl ZINC000509615860 918264613 /nfs/dbraw/zinc/26/46/13/918264613.db2.gz DQZYMKDWPIZXAQ-UHFFFAOYSA-N -1 1 401.871 4.380 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CC=C(c3ccccc3Cl)CC2)c(=O)[n-]1 ZINC000509712522 918340316 /nfs/dbraw/zinc/34/03/16/918340316.db2.gz MNXQIXZOSPFKCH-UHFFFAOYSA-N -1 1 403.935 4.114 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCc1csc2ccccc12 ZINC000509718168 918346045 /nfs/dbraw/zinc/34/60/45/918346045.db2.gz XJILDJQIAMNDRA-UHFFFAOYSA-N -1 1 418.522 4.059 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1OC1CCCC1 ZINC000509733310 918355334 /nfs/dbraw/zinc/35/53/34/918355334.db2.gz AOGMDPHULCUBGJ-UHFFFAOYSA-N -1 1 418.497 4.445 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1ccccc1)CC(C)C ZINC000509908341 918510892 /nfs/dbraw/zinc/51/08/92/918510892.db2.gz JKUSMAVIRHTLMG-UHFFFAOYSA-N -1 1 404.514 4.170 20 0 HIADMM CCCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H]1CCc2ccccc21 ZINC000509921737 918521906 /nfs/dbraw/zinc/52/19/06/918521906.db2.gz BAOXGYWYTSJXPV-JOCHJYFZSA-N -1 1 416.525 4.411 20 0 HIADMM Cc1cccc(CN(CC(C)C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000509924267 918523797 /nfs/dbraw/zinc/52/37/97/918523797.db2.gz LICYEMNYFSLLKN-UHFFFAOYSA-N -1 1 418.541 4.478 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(O)c3)ccc2C)cc1 ZINC000510075544 918644457 /nfs/dbraw/zinc/64/44/57/918644457.db2.gz YGTFMXVZYHLWIW-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000510078710 918647304 /nfs/dbraw/zinc/64/73/04/918647304.db2.gz IJUMGHQMDZHFKW-UHFFFAOYSA-N -1 1 424.504 4.027 20 0 HIADMM Cc1sc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)nc1C(C)C ZINC000510133556 918691155 /nfs/dbraw/zinc/69/11/55/918691155.db2.gz NAPWYYCQKZDUPH-UHFFFAOYSA-N -1 1 423.785 4.469 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000510955963 919489897 /nfs/dbraw/zinc/48/98/97/919489897.db2.gz QTFJXLIRJKVQCF-UHFFFAOYSA-N -1 1 412.921 4.223 20 0 HIADMM CCOc1cc(-c2ccccc2)sc1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000511001856 919560554 /nfs/dbraw/zinc/56/05/54/919560554.db2.gz JNGKSROZAGUMKH-UHFFFAOYSA-N -1 1 422.510 4.109 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCC1=CCCC1 ZINC000511234965 919839756 /nfs/dbraw/zinc/83/97/56/919839756.db2.gz WIDXFEAERDXGDV-UHFFFAOYSA-N -1 1 402.491 4.165 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)cc2)c2ccccc12 ZINC000511238681 919842908 /nfs/dbraw/zinc/84/29/08/919842908.db2.gz BPTKKDIECHRMSS-UHFFFAOYSA-N -1 1 401.484 4.065 20 0 HIADMM O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000511250149 919851903 /nfs/dbraw/zinc/85/19/03/919851903.db2.gz XLHVGFOWXXLPSN-UHFFFAOYSA-N -1 1 424.545 4.366 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@@H](C)CC)c2)cc1 ZINC000512146946 920889920 /nfs/dbraw/zinc/88/99/20/920889920.db2.gz RJOKNQYQQDBVKQ-JKSUJKDBSA-N -1 1 404.532 4.051 20 0 HIADMM CC(C)(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Oc1ccccc1 ZINC000513635560 921959792 /nfs/dbraw/zinc/95/97/92/921959792.db2.gz OXDVMSFMRYCOFA-UHFFFAOYSA-N -1 1 424.522 4.075 20 0 HIADMM Cc1cnc([N-]S(=O)(=O)c2cccc(C)c2Br)c(Br)c1 ZINC000513791047 922118486 /nfs/dbraw/zinc/11/84/86/922118486.db2.gz IPXDANVCLYEKLL-UHFFFAOYSA-N -1 1 420.126 4.024 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(C(F)(F)F)nc1 ZINC000514149118 922486490 /nfs/dbraw/zinc/48/64/90/922486490.db2.gz YTVNMGWDUIEGHB-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000514349618 922602194 /nfs/dbraw/zinc/60/21/94/922602194.db2.gz SBLQJMWMFQFFGP-UHFFFAOYSA-N -1 1 423.796 4.089 20 0 HIADMM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(C(F)F)cc1 ZINC000514884807 922831514 /nfs/dbraw/zinc/83/15/14/922831514.db2.gz RFZWWZIZNJKYHP-UHFFFAOYSA-N -1 1 418.469 4.410 20 0 HIADMM CC(C)(C)c1ccc(CS(=O)(=O)c2nnc(COc3ccc(Cl)cc3)[n-]2)cc1 ZINC000514991319 922870413 /nfs/dbraw/zinc/87/04/13/922870413.db2.gz JGGZJSROLUHXQZ-UHFFFAOYSA-N -1 1 419.934 4.309 20 0 HIADMM CC(C)(C)c1ccc(CS(=O)(=O)c2n[n-]c(COc3ccc(Cl)cc3)n2)cc1 ZINC000514991319 922870424 /nfs/dbraw/zinc/87/04/24/922870424.db2.gz JGGZJSROLUHXQZ-UHFFFAOYSA-N -1 1 419.934 4.309 20 0 HIADMM CCCOc1cc(CN[C@@H](C(=O)[O-])c2ccccc2Br)ccc1OC ZINC000515274580 923029299 /nfs/dbraw/zinc/02/92/99/923029299.db2.gz MBDOQOXYAHEDSF-GOSISDBHSA-N -1 1 408.292 4.162 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000515628050 923227783 /nfs/dbraw/zinc/22/77/83/923227783.db2.gz YFFIVYAIEHYICJ-UHFFFAOYSA-N -1 1 416.934 4.434 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)cc1 ZINC000515631479 923231431 /nfs/dbraw/zinc/23/14/31/923231431.db2.gz YNSKCUSGJQNYIL-UHFFFAOYSA-N -1 1 405.413 4.467 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)ccc1OC(C)C ZINC000515692769 923276420 /nfs/dbraw/zinc/27/64/20/923276420.db2.gz GNSNVBMARCTVGE-UHFFFAOYSA-N -1 1 404.532 4.111 20 0 HIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c1Cl ZINC000515691962 923276589 /nfs/dbraw/zinc/27/65/89/923276589.db2.gz KIZSBJWSBQOPMB-UHFFFAOYSA-N -1 1 421.733 4.458 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)NC1CC1 ZINC000515854768 923395132 /nfs/dbraw/zinc/39/51/32/923395132.db2.gz IZIFWHHBTJLLCD-UHFFFAOYSA-N -1 1 407.495 4.438 20 0 HIADMM CC(=O)Nc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1C ZINC000516510703 923768545 /nfs/dbraw/zinc/76/85/45/923768545.db2.gz JDLCRVATUSQGQG-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2c(C)cc(Cl)c3ccccc32)c1 ZINC000516520168 923777215 /nfs/dbraw/zinc/77/72/15/923777215.db2.gz LQJHCAKTDWFZSR-UHFFFAOYSA-N -1 1 403.887 4.318 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)c4ccccc4)c3)ccc2O1 ZINC000517298401 924085750 /nfs/dbraw/zinc/08/57/50/924085750.db2.gz KKYGQOLOMNICRH-OAHLLOKOSA-N -1 1 408.479 4.063 20 0 HIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)c1ccccc1C ZINC000517423977 924173980 /nfs/dbraw/zinc/17/39/80/924173980.db2.gz VUTALNGFKNNRIS-UHFFFAOYSA-N -1 1 424.522 4.471 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)cc1Br ZINC000517518661 924242522 /nfs/dbraw/zinc/24/25/22/924242522.db2.gz QNAGRTRVBGOGLO-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM O=C(NC[C@@H]1CCc2ccccc21)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000517700961 926801773 /nfs/dbraw/zinc/80/17/73/926801773.db2.gz CJZBRIXXROMVFL-SFHVURJKSA-N -1 1 424.497 4.086 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](CC)C(C)(C)C)c2)cc1 ZINC000517960437 926904645 /nfs/dbraw/zinc/90/46/45/926904645.db2.gz CPTVIBRCVWIPBR-FQEVSTJZSA-N -1 1 418.559 4.441 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]3C(C)C)cc2)cc1C ZINC000518049479 926987956 /nfs/dbraw/zinc/98/79/56/926987956.db2.gz ICPSGBCDOWJDRR-NRFANRHFSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1C ZINC000518332134 927197523 /nfs/dbraw/zinc/19/75/23/927197523.db2.gz FRGPKHNSSDYYDR-IAGOWNOFSA-N -1 1 402.560 4.335 20 0 HIADMM C[C@H](c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1)C1CC1 ZINC000518451191 927283750 /nfs/dbraw/zinc/28/37/50/927283750.db2.gz BVSWRPYMDVALDF-NSHDSACASA-N -1 1 405.426 4.329 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3Cc4ccccc4CO3)cc2)c1C ZINC000518602039 927373611 /nfs/dbraw/zinc/37/36/11/927373611.db2.gz BTOWYYKMCHXPBG-UHFFFAOYSA-N -1 1 422.506 4.192 20 0 HIADMM Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C2CCCCC2)nc1 ZINC000518647971 927401464 /nfs/dbraw/zinc/40/14/64/927401464.db2.gz VDNOAWPNNMZPQC-UHFFFAOYSA-N -1 1 419.547 4.039 20 0 HIADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)cc1 ZINC000518646820 927401493 /nfs/dbraw/zinc/40/14/93/927401493.db2.gz SOPUQKNHTJDZPZ-UHFFFAOYSA-N -1 1 417.512 4.173 20 0 HIADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000518671317 927418803 /nfs/dbraw/zinc/41/88/03/927418803.db2.gz ZHPYPBUWKMSECT-UHFFFAOYSA-N -1 1 413.833 4.143 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc3oc(CC(C)(C)C)nc3c2)cc1 ZINC000518740191 927466857 /nfs/dbraw/zinc/46/68/57/927466857.db2.gz NPOMDJQXSRUXJY-UHFFFAOYSA-N -1 1 402.516 4.406 20 0 HIADMM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(C2CC2)no1 ZINC000518749757 927473858 /nfs/dbraw/zinc/47/38/58/927473858.db2.gz PWVSBNIDOOBFQX-CQSZACIVSA-N -1 1 404.319 4.071 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c(C)c1 ZINC000519059253 927735606 /nfs/dbraw/zinc/73/56/06/927735606.db2.gz TYAPFQRHWGWCOX-INIZCTEOSA-N -1 1 400.544 4.285 20 0 HIADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000519061352 927738316 /nfs/dbraw/zinc/73/83/16/927738316.db2.gz YPVITUFFASMWIM-UHFFFAOYSA-N -1 1 424.522 4.125 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)ccc1F ZINC000519232295 927838797 /nfs/dbraw/zinc/83/87/97/927838797.db2.gz VOJBMJKQIYSPFR-AWEZNQCLSA-N -1 1 404.507 4.115 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cccc(F)c1F ZINC000519271298 927858479 /nfs/dbraw/zinc/85/84/79/927858479.db2.gz QJFHHKCOCAVPRW-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM CN(C)c1nc2sc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)s3)cc2s1 ZINC000519314808 927877319 /nfs/dbraw/zinc/87/73/19/927877319.db2.gz VRBMPRPHXYZBEB-UHFFFAOYSA-N -1 1 419.532 4.258 20 0 HIADMM CC[C@H]1CCc2c(sc3nc(-c4ccc(OCC(=O)N(C)C)cc4)[n-]c(=O)c32)C1 ZINC000519321828 927880306 /nfs/dbraw/zinc/88/03/06/927880306.db2.gz CNQCFQUHQSPJFM-ZDUSSCGKSA-N -1 1 411.527 4.046 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3ccccn3)c2)c1 ZINC000519349574 927892818 /nfs/dbraw/zinc/89/28/18/927892818.db2.gz IKDUIHOJGXKJJZ-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccccn2)cc1 ZINC000519349880 927893505 /nfs/dbraw/zinc/89/35/05/927893505.db2.gz RXNIBGGUKDDTSW-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3cccnc3)cc2)c1C ZINC000519405340 927927619 /nfs/dbraw/zinc/92/76/19/927927619.db2.gz SGIAAEGOJZBPPT-SFHVURJKSA-N -1 1 423.538 4.332 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3cccc(C)n3)cc2)c1 ZINC000519665418 928041547 /nfs/dbraw/zinc/04/15/47/928041547.db2.gz DYYUYHHXPTVEGJ-UHFFFAOYSA-N -1 1 409.511 4.084 20 0 HIADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000519720612 928056434 /nfs/dbraw/zinc/05/64/34/928056434.db2.gz FQOFJPYVWHMFAP-HUUCEWRRSA-N -1 1 404.507 4.181 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)cc1 ZINC000520103571 928313234 /nfs/dbraw/zinc/31/32/34/928313234.db2.gz XMDURKHAHJYZGW-KRWDZBQOSA-N -1 1 409.511 4.024 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1OC ZINC000520152353 928344603 /nfs/dbraw/zinc/34/46/03/928344603.db2.gz WYJRPFDQBXOIGU-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1 ZINC000520466006 928582377 /nfs/dbraw/zinc/58/23/77/928582377.db2.gz ZJNLPNJTRLBLDD-UHFFFAOYSA-N -1 1 416.543 4.399 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(COCCc3ccccc3)c2)cs1 ZINC000520465974 928582788 /nfs/dbraw/zinc/58/27/88/928582788.db2.gz WTWKZAVRSGMJNK-UHFFFAOYSA-N -1 1 417.508 4.006 20 0 HIADMM CCCCO[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000520483589 928593414 /nfs/dbraw/zinc/59/34/14/928593414.db2.gz AMBJQAWAJJJJCL-QGZVFWFLSA-N -1 1 404.532 4.248 20 0 HIADMM Cc1c(Cl)cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1Cl ZINC000520616986 928676289 /nfs/dbraw/zinc/67/62/89/928676289.db2.gz GVBPRCXVBYYJIU-UHFFFAOYSA-N -1 1 405.303 4.224 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3Cc4ccccc4C3)ccc2C)cc1 ZINC000520689264 928737028 /nfs/dbraw/zinc/73/70/28/928737028.db2.gz QMJDFNOQJKELEK-UHFFFAOYSA-N -1 1 406.507 4.260 20 0 HIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)c1 ZINC000520716968 928766627 /nfs/dbraw/zinc/76/66/27/928766627.db2.gz LXJJDXGDCDPXQK-UHFFFAOYSA-N -1 1 400.438 4.157 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC000520729711 928780024 /nfs/dbraw/zinc/78/00/24/928780024.db2.gz WGTHIVCNEJIJRF-UHFFFAOYSA-N -1 1 406.935 4.329 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3cccnc3)c2)cc1 ZINC000520979054 928900018 /nfs/dbraw/zinc/90/00/18/928900018.db2.gz BITHIXQKCQCULA-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM O=C(Nc1cc[nH]n1)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000521034217 928949034 /nfs/dbraw/zinc/94/90/34/928949034.db2.gz CISRLWSADSMNSC-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM CC(C)[C@H](C)N(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000521181896 929048630 /nfs/dbraw/zinc/04/86/30/929048630.db2.gz AYQMTGMBYGCFDW-INIZCTEOSA-N -1 1 418.534 4.205 20 0 HIADMM O=S(=O)(Cc1nc(-c2ccccc2Cl)cs1)c1nc(-c2ccccc2)n[n-]1 ZINC000521347292 929163452 /nfs/dbraw/zinc/16/34/52/929163452.db2.gz ZUVNNSLEZVYVHN-UHFFFAOYSA-N -1 1 416.915 4.223 20 0 HIADMM O=S(=O)(Cc1nc(-c2ccccc2Cl)cs1)c1n[n-]c(-c2ccccc2)n1 ZINC000521347292 929163466 /nfs/dbraw/zinc/16/34/66/929163466.db2.gz ZUVNNSLEZVYVHN-UHFFFAOYSA-N -1 1 416.915 4.223 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1NC(=O)c1ccncc1 ZINC000521415211 929210829 /nfs/dbraw/zinc/21/08/29/929210829.db2.gz NWQWKMBQOBDWLN-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM O=C(NCCc1ccccc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000521489044 929247703 /nfs/dbraw/zinc/24/77/03/929247703.db2.gz NRQIHDNHOPVQOY-UHFFFAOYSA-N -1 1 414.914 4.113 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)c1 ZINC000521498165 929253489 /nfs/dbraw/zinc/25/34/89/929253489.db2.gz YYBAOXJGTWTQNG-UHFFFAOYSA-N -1 1 416.543 4.039 20 0 HIADMM CO[C@](C)(C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000521611871 929328137 /nfs/dbraw/zinc/32/81/37/929328137.db2.gz OHJLYSJZHMUSQZ-QHCPKHFHSA-N -1 1 424.522 4.296 20 0 HIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccc(Br)cc1 ZINC000521906586 929550408 /nfs/dbraw/zinc/55/04/08/929550408.db2.gz OAJYYCQNYFLRCJ-ZETCQYMHSA-N -1 1 407.211 4.327 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C(C)(C)C)no3)c2)cc1 ZINC000524631146 929741490 /nfs/dbraw/zinc/74/14/90/929741490.db2.gz PHTZDWSSWFUKKI-UHFFFAOYSA-N -1 1 401.488 4.234 20 0 HIADMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000524653991 929767108 /nfs/dbraw/zinc/76/71/08/929767108.db2.gz PAZPBQICWBRWEZ-UONOGXRCSA-N -1 1 408.470 4.026 20 0 HIADMM C[C@H]1CC(NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H](C)C1 ZINC000524723815 929810966 /nfs/dbraw/zinc/81/09/66/929810966.db2.gz IRDYWXAUWDRQLA-IAGOWNOFSA-N -1 1 415.559 4.111 20 0 HIADMM C[C@@H]1CC(NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H](C)C1 ZINC000524723816 929811061 /nfs/dbraw/zinc/81/10/61/929811061.db2.gz IRDYWXAUWDRQLA-IRXDYDNUSA-N -1 1 415.559 4.111 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)ccc1F ZINC000524813799 929840885 /nfs/dbraw/zinc/84/08/85/929840885.db2.gz VFOKQOSCRXARJQ-UHFFFAOYSA-N -1 1 407.854 4.029 20 0 HIADMM CC[C@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000524847836 929856429 /nfs/dbraw/zinc/85/64/29/929856429.db2.gz MKFVSUKKNWWXSC-KXBFYZLASA-N -1 1 404.507 4.325 20 0 HIADMM CC[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000524885860 929872863 /nfs/dbraw/zinc/87/28/63/929872863.db2.gz RHORUUGOFJNSNV-OXQOHEQNSA-N -1 1 418.534 4.254 20 0 HIADMM COc1cc(NC(=O)N[C@H](CC(C)(C)C)c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000524896277 929877328 /nfs/dbraw/zinc/87/73/28/929877328.db2.gz OLSRNEBEAAEHFX-GOSISDBHSA-N -1 1 419.547 4.366 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)cc1F ZINC000525011065 929972006 /nfs/dbraw/zinc/97/20/06/929972006.db2.gz YRGYYGGJKNEXKP-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000525104788 930039029 /nfs/dbraw/zinc/03/90/29/930039029.db2.gz GFLHANVRHKVWRC-GJZGRUSLSA-N -1 1 422.497 4.416 20 0 HIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(OCCOC)c(C)c3)cc21 ZINC000525157018 930070626 /nfs/dbraw/zinc/07/06/26/930070626.db2.gz XXRZCHBXLJLLLL-UHFFFAOYSA-N -1 1 402.516 4.186 20 0 HIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cc2nnc3ccccn32)cc1 ZINC000525227063 930093596 /nfs/dbraw/zinc/09/35/96/930093596.db2.gz PTMGDCCGPCJQDQ-UHFFFAOYSA-N -1 1 412.902 4.083 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(CSC4CCCC4)c3)ccc2N1 ZINC000525371626 930202375 /nfs/dbraw/zinc/20/23/75/930202375.db2.gz HSOSBNPEQZSVKT-UHFFFAOYSA-N -1 1 402.541 4.158 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000525380379 930208164 /nfs/dbraw/zinc/20/81/64/930208164.db2.gz MTMWEPDEYHBFAH-UHFFFAOYSA-N -1 1 410.543 4.409 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1 ZINC000525525837 930302488 /nfs/dbraw/zinc/30/24/88/930302488.db2.gz FRPOUUCIEKUBPN-UHFFFAOYSA-N -1 1 418.858 4.115 20 0 HIADMM CCSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000525535505 930309089 /nfs/dbraw/zinc/30/90/89/930309089.db2.gz ABCZCQXWQFVYRY-AWEZNQCLSA-N -1 1 404.557 4.038 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1C ZINC000525535364 930309340 /nfs/dbraw/zinc/30/93/40/930309340.db2.gz UBLRLPKHJKZBEL-UHFFFAOYSA-N -1 1 402.497 4.014 20 0 HIADMM Cc1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000525578175 930341151 /nfs/dbraw/zinc/34/11/51/930341151.db2.gz VOXVWPSQVGBKEY-UHFFFAOYSA-N -1 1 420.412 4.465 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC(C)(C)CC3)cc2)cc1 ZINC000525603527 930357742 /nfs/dbraw/zinc/35/77/42/930357742.db2.gz WPYRONZYJCKFSE-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)[C@H]3C)ccc2C)c1 ZINC000525608078 930359966 /nfs/dbraw/zinc/35/99/66/930359966.db2.gz HBKAJKKIIWSDCF-FUHWJXTLSA-N -1 1 400.544 4.365 20 0 HIADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000525616202 930364141 /nfs/dbraw/zinc/36/41/41/930364141.db2.gz LKDDPJKEWIOFSG-CVEARBPZSA-N -1 1 404.507 4.277 20 0 HIADMM C[C@@H]1CCC[C@H](C)CN1C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000525618439 930365327 /nfs/dbraw/zinc/36/53/27/930365327.db2.gz VBWQSSFRXWDOFI-DLBZAZTESA-N -1 1 418.534 4.206 20 0 HIADMM C[C@H]1CCC[C@H](C)N(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000525618441 930365751 /nfs/dbraw/zinc/36/57/51/930365751.db2.gz VBWQSSFRXWDOFI-IRXDYDNUSA-N -1 1 418.534 4.206 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C)cc2)cc1 ZINC000525620279 930366796 /nfs/dbraw/zinc/36/67/96/930366796.db2.gz KNGNZKUOFOERSI-IRXDYDNUSA-N -1 1 416.543 4.147 20 0 HIADMM COc1cccc(Cl)c1-c1noc(C)c1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000525994144 930503237 /nfs/dbraw/zinc/50/32/37/930503237.db2.gz OAAHDPOKQXXUFE-UHFFFAOYSA-N -1 1 423.860 4.204 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C(C)(C)CC)cc2)cc1 ZINC000526941154 930553612 /nfs/dbraw/zinc/55/36/12/930553612.db2.gz WOMZWRCGKNZVAR-UHFFFAOYSA-N -1 1 404.532 4.147 20 0 HIADMM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c(Br)c1 ZINC000530373921 930697038 /nfs/dbraw/zinc/69/70/38/930697038.db2.gz FWEFNRBZJLRWCN-CQSZACIVSA-N -1 1 424.238 4.040 20 0 HIADMM Cc1cc(C)c(-c2csc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)n2)c(C)c1 ZINC000531054539 930898903 /nfs/dbraw/zinc/89/89/03/930898903.db2.gz FDVFSXIWPMVWRN-UHFFFAOYSA-N -1 1 421.482 4.045 20 0 HIADMM Cc1cc(C)c(-c2csc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)n2)c(C)c1 ZINC000531054539 930898907 /nfs/dbraw/zinc/89/89/07/930898907.db2.gz FDVFSXIWPMVWRN-UHFFFAOYSA-N -1 1 421.482 4.045 20 0 HIADMM CC[C@]1(C)C[C@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000531560587 931103461 /nfs/dbraw/zinc/10/34/61/931103461.db2.gz KYLLWHCVEWMBEH-ORAYPTAESA-N -1 1 408.907 4.221 20 0 HIADMM COc1ccc(-n2c(SCC(=O)c3ccc([O-])cc3)nnc2-c2ccccn2)cc1 ZINC000531759958 931185885 /nfs/dbraw/zinc/18/58/85/931185885.db2.gz ANZRTMZZDIHERZ-UHFFFAOYSA-N -1 1 418.478 4.019 20 0 HIADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc21 ZINC000531775782 931192011 /nfs/dbraw/zinc/19/20/11/931192011.db2.gz XBODBSBNKBPQJY-UHFFFAOYSA-N -1 1 418.824 4.389 20 0 HIADMM O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(Cl)c2ccccc21 ZINC000531780535 931194718 /nfs/dbraw/zinc/19/47/18/931194718.db2.gz NVDOZIBDLHRDFV-MRXNPFEDSA-N -1 1 403.887 4.462 20 0 HIADMM CC1(C)c2cc(S(=O)(=O)[N-]c3cccc(OC4CCCC4)c3)ccc2NC1=O ZINC000532032569 931292179 /nfs/dbraw/zinc/29/21/79/931292179.db2.gz XWJRZZFDYJQEMB-UHFFFAOYSA-N -1 1 400.500 4.039 20 0 HIADMM Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(F)cc4[O-])cc3C2=O)c1 ZINC000532620937 931556606 /nfs/dbraw/zinc/55/66/06/931556606.db2.gz KTYLFSMDLSUWNS-UHFFFAOYSA-N -1 1 404.397 4.201 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000532804529 931634520 /nfs/dbraw/zinc/63/45/20/931634520.db2.gz AGODZMNPMGQODJ-HNNXBMFYSA-N -1 1 417.937 4.373 20 0 HIADMM O=C([O-])C[C@H]1CCCN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000532880878 931677480 /nfs/dbraw/zinc/67/74/80/931677480.db2.gz CQSNGENJRWWIQY-OAHLLOKOSA-N -1 1 402.878 4.258 20 0 HIADMM O=C(Nc1cccc(-c2ncco2)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000533136902 931779220 /nfs/dbraw/zinc/77/92/20/931779220.db2.gz JKNKFYVGWSAEGI-UHFFFAOYSA-N -1 1 419.462 4.395 20 0 HIADMM CCCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000533683453 931969089 /nfs/dbraw/zinc/96/90/89/931969089.db2.gz RLESAPCMWNIRKI-NSHDSACASA-N -1 1 419.330 4.108 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1NC(=O)c1ccncc1 ZINC000533692104 931972945 /nfs/dbraw/zinc/97/29/45/931972945.db2.gz XVRRCKQVMOVICL-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc(F)cc(Cl)c3)n2)cc1F ZINC000533694199 931973457 /nfs/dbraw/zinc/97/34/57/931973457.db2.gz TXIQWILCZPJGFZ-SNVBAGLBSA-N -1 1 413.833 4.016 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(F)c1)c1cc(F)cc(Cl)c1 ZINC000533693598 931973582 /nfs/dbraw/zinc/97/35/82/931973582.db2.gz XAKBANLDJZVNHD-UHFFFAOYSA-N -1 1 410.829 4.393 20 0 HIADMM CCc1noc(C)c1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000533717435 931987726 /nfs/dbraw/zinc/98/77/26/931987726.db2.gz QMNKSJARNZXYIZ-UHFFFAOYSA-N -1 1 417.462 4.046 20 0 HIADMM COc1c(Br)cc(Cl)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000534356541 932391029 /nfs/dbraw/zinc/39/10/29/932391029.db2.gz IKKUZWDRXYVNLB-UHFFFAOYSA-N -1 1 413.655 4.027 20 0 HIADMM O=C([N-]c1nnc(SCc2ccccc2)s1)c1csc([C@@H]2CCCO2)n1 ZINC000534388119 932413168 /nfs/dbraw/zinc/41/31/68/932413168.db2.gz GZWFLUSLLYJFKG-ZDUSSCGKSA-N -1 1 404.542 4.391 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)C3CCOCC3)ccc2C)c1 ZINC000534413628 932434013 /nfs/dbraw/zinc/43/40/13/932434013.db2.gz MSQMQNUJCTXBBS-KRWDZBQOSA-N -1 1 416.543 4.105 20 0 HIADMM [O-]C(=COc1ccc(-c2ccccc2)cc1Cl)Nc1nc(-c2cccnc2)ns1 ZINC000534432621 932447471 /nfs/dbraw/zinc/44/74/71/932447471.db2.gz HTJYBZZRZNHMTA-UHFFFAOYSA-N -1 1 422.897 4.360 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(OC(F)(F)F)cc1 ZINC000534673289 932642979 /nfs/dbraw/zinc/64/29/79/932642979.db2.gz HOSIJKJBUVIBQP-UHFFFAOYSA-N -1 1 407.320 4.200 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1Cl ZINC000534693434 932665261 /nfs/dbraw/zinc/66/52/61/932665261.db2.gz YYXRZAFITVFJGV-UHFFFAOYSA-N -1 1 405.863 4.063 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1=Cc2cc(F)ccc2OC1 ZINC000534876455 932818586 /nfs/dbraw/zinc/81/85/86/932818586.db2.gz DHLUEXCUFAAHSH-UHFFFAOYSA-N -1 1 424.453 4.041 20 0 HIADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c(Cl)c1 ZINC000534942916 932849690 /nfs/dbraw/zinc/84/96/90/932849690.db2.gz WOBORGQLHOJOAC-UHFFFAOYSA-N -1 1 415.323 4.369 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(O)c3F)c2)cc1F ZINC000534945148 932851034 /nfs/dbraw/zinc/85/10/34/932851034.db2.gz ILKKZBZPFUCASO-UHFFFAOYSA-N -1 1 418.421 4.032 20 0 HIADMM CCOc1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000535130254 932948526 /nfs/dbraw/zinc/94/85/26/932948526.db2.gz JCVZKTOPZGWDKP-UHFFFAOYSA-N -1 1 410.495 4.163 20 0 HIADMM CC(C)c1cc(Br)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000535509310 933203806 /nfs/dbraw/zinc/20/38/06/933203806.db2.gz YFPKRKZCUGKUMD-UHFFFAOYSA-N -1 1 404.307 4.133 20 0 HIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4nc(-c5ccccn5)oc4c3)ccc2O1 ZINC000537395401 933756105 /nfs/dbraw/zinc/75/61/05/933756105.db2.gz ZCKAIAGMSSNAGY-CYBMUJFWSA-N -1 1 407.451 4.014 20 0 HIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2SC(C)C)c1 ZINC000537771259 938373519 /nfs/dbraw/zinc/37/35/19/938373519.db2.gz IMONSPQUROERQG-UHFFFAOYSA-N -1 1 422.572 4.176 20 0 HIADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000537930177 938418098 /nfs/dbraw/zinc/41/80/98/938418098.db2.gz CMZMBPAUPMMUMB-BBRMVZONSA-N -1 1 408.470 4.169 20 0 HIADMM CCc1cnccc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000537994875 938454940 /nfs/dbraw/zinc/45/49/40/938454940.db2.gz GMTPQZKQCYXIDK-QGZVFWFLSA-N -1 1 423.538 4.244 20 0 HIADMM COc1ccc(-c2nsc([N-]C(=O)c3csc(-c4ncccc4F)n3)n2)cc1 ZINC000538716720 938688928 /nfs/dbraw/zinc/68/89/28/938688928.db2.gz BXTNEZSIWMYOQV-UHFFFAOYSA-N -1 1 413.459 4.124 20 0 HIADMM CC[C@@H](CSC)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000539135238 938809160 /nfs/dbraw/zinc/80/91/60/938809160.db2.gz CYPLEAXREDPZOI-SFHVURJKSA-N -1 1 424.563 4.149 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@@H]2C(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000539449771 938862587 /nfs/dbraw/zinc/86/25/87/938862587.db2.gz WVCIZQSCJLIELG-GOSISDBHSA-N -1 1 406.935 4.320 20 0 HIADMM O=C(Cc1cccs1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000539980617 939029423 /nfs/dbraw/zinc/02/94/23/939029423.db2.gz OSVBONFTOJNRFD-UHFFFAOYSA-N -1 1 422.915 4.089 20 0 HIADMM Cn1ncc2c1nc(Oc1ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc1)[n-]c2=O ZINC000539992374 939031803 /nfs/dbraw/zinc/03/18/03/939031803.db2.gz AHAVMEVBOGMOJI-UHFFFAOYSA-N -1 1 417.469 4.411 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1 ZINC000540214013 939131598 /nfs/dbraw/zinc/13/15/98/939131598.db2.gz SJVUVAPTALDABO-LJQANCHMSA-N -1 1 401.488 4.002 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000540251355 939169349 /nfs/dbraw/zinc/16/93/49/939169349.db2.gz YIEQWMVGTUIQOZ-UHFFFAOYSA-N -1 1 416.927 4.362 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000540337993 939199493 /nfs/dbraw/zinc/19/94/93/939199493.db2.gz NWBKLKGGJFMLLI-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)ccc2[nH]1 ZINC000540697869 939342133 /nfs/dbraw/zinc/34/21/33/939342133.db2.gz YADIHDNJZHTCBX-UHFFFAOYSA-N -1 1 410.417 4.219 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c[nH]c2cc(F)ccc12 ZINC000540847703 939393427 /nfs/dbraw/zinc/39/34/27/939393427.db2.gz GIJJXAODSCIRRQ-UHFFFAOYSA-N -1 1 409.442 4.360 20 0 HIADMM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(F)c1 ZINC000541084302 939454321 /nfs/dbraw/zinc/45/43/21/939454321.db2.gz IMKCKCSGBUKSRG-UHFFFAOYSA-N -1 1 418.446 4.237 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)c(C)c1F ZINC000541175151 939484384 /nfs/dbraw/zinc/48/43/84/939484384.db2.gz WZJSZKUCHNHNKZ-UHFFFAOYSA-N -1 1 415.490 4.143 20 0 HIADMM CCc1nc2cc(S(=O)(=O)[N-]c3cc(CCc4ccccc4C)n[nH]3)ccc2o1 ZINC000541287244 939489418 /nfs/dbraw/zinc/48/94/18/939489418.db2.gz USFCFHDFIHIMFI-UHFFFAOYSA-N -1 1 410.499 4.008 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2C)c1 ZINC000541306480 939490416 /nfs/dbraw/zinc/49/04/16/939490416.db2.gz NAVJXBXHJLNABL-UHFFFAOYSA-N -1 1 411.483 4.316 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1cccnc1C1CC1 ZINC000541431109 939514507 /nfs/dbraw/zinc/51/45/07/939514507.db2.gz VIAIYGHEIJYXKS-UHFFFAOYSA-N -1 1 421.522 4.032 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1Cl ZINC000541807865 939639091 /nfs/dbraw/zinc/63/90/91/939639091.db2.gz VVBLFMAWDJMUNA-SNVBAGLBSA-N -1 1 418.298 4.066 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@H]2CCCC[C@H]12 ZINC000542060456 939701495 /nfs/dbraw/zinc/70/14/95/939701495.db2.gz GAZDLAXZNKDANH-LPTQZCDUSA-N -1 1 416.518 4.277 20 0 HIADMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000542236172 939769494 /nfs/dbraw/zinc/76/94/94/939769494.db2.gz CMHYZZKWEFOTPC-CYBMUJFWSA-N -1 1 411.483 4.047 20 0 HIADMM CCOc1ccc(F)c([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1F ZINC000542238013 939770465 /nfs/dbraw/zinc/77/04/65/939770465.db2.gz VPPNQJPGVXDYCB-UHFFFAOYSA-N -1 1 412.389 4.100 20 0 HIADMM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cccnc1-c1ccccc1 ZINC000542237460 939770532 /nfs/dbraw/zinc/77/05/32/939770532.db2.gz VJGFOQLTKVKXEJ-UHFFFAOYSA-N -1 1 409.442 4.485 20 0 HIADMM C[C@H](CN(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)c1nccs1 ZINC000542313520 939796340 /nfs/dbraw/zinc/79/63/40/939796340.db2.gz VGMPCKYTJASEQM-GFCCVEGCSA-N -1 1 414.531 4.483 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C[C@@H]2CC=CCC2)cc1 ZINC000542423795 939819731 /nfs/dbraw/zinc/81/97/31/939819731.db2.gz QYWUWQIPRYLADB-QGZVFWFLSA-N -1 1 416.518 4.363 20 0 HIADMM CCn1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(=O)c2cc(Cl)ccc21 ZINC000542704049 939855421 /nfs/dbraw/zinc/85/54/21/939855421.db2.gz OCYJUTVEVIDPGT-UHFFFAOYSA-N -1 1 408.845 4.023 20 0 HIADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000542988834 939892136 /nfs/dbraw/zinc/89/21/36/939892136.db2.gz JJOIRWWHQDAVTE-IPHXSNPTSA-N -1 1 416.518 4.277 20 0 HIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1Cl ZINC000543163193 939981644 /nfs/dbraw/zinc/98/16/44/939981644.db2.gz APMUCPBEEAKONS-UHFFFAOYSA-N -1 1 423.853 4.034 20 0 HIADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000543300879 940022349 /nfs/dbraw/zinc/02/23/49/940022349.db2.gz BDEOHETZGOPGNE-UHFFFAOYSA-N -1 1 413.485 4.283 20 0 HIADMM CN(C[C@@H]1CC=CCC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000543353380 940039625 /nfs/dbraw/zinc/03/96/25/940039625.db2.gz HYKFKTJWBWHEJH-OAHLLOKOSA-N -1 1 420.481 4.194 20 0 HIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)cc3c2N1CCC3 ZINC000543643835 940147335 /nfs/dbraw/zinc/14/73/35/940147335.db2.gz VSSZUQNTTFESLE-UHFFFAOYSA-N -1 1 418.518 4.380 20 0 HIADMM COC1CCC(CC[N-]S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000543689581 940160680 /nfs/dbraw/zinc/16/06/80/940160680.db2.gz WGFACOZJCARPDF-UHFFFAOYSA-N -1 1 416.790 4.038 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[C@H]2CCCC[C@H]12 ZINC000543918970 940245398 /nfs/dbraw/zinc/24/53/98/940245398.db2.gz SDZQXEJXAZCHRL-LPTQZCDUSA-N -1 1 416.518 4.277 20 0 HIADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[C@@H]2CCCC[C@@H]21 ZINC000543918969 940245418 /nfs/dbraw/zinc/24/54/18/940245418.db2.gz SDZQXEJXAZCHRL-IPHXSNPTSA-N -1 1 416.518 4.277 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@H]1CCCCS1 ZINC000544018404 940300928 /nfs/dbraw/zinc/30/09/28/940300928.db2.gz UAHXPFXMBQLKGV-QGZVFWFLSA-N -1 1 410.948 4.365 20 0 HIADMM Cc1cccc([C@H]2CCN(C(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)C2)c1 ZINC000544287496 940380224 /nfs/dbraw/zinc/38/02/24/940380224.db2.gz ZSJGTHMDGICOSM-NRFANRHFSA-N -1 1 420.534 4.426 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)cc1 ZINC000544298161 940383011 /nfs/dbraw/zinc/38/30/11/940383011.db2.gz WIZREGBAVPTJRA-GOSISDBHSA-N -1 1 400.544 4.304 20 0 HIADMM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(I)c([O-])c1 ZINC000544878935 940521305 /nfs/dbraw/zinc/52/13/05/940521305.db2.gz ZKAMFLXXWLFGCY-UHFFFAOYSA-N -1 1 420.206 4.213 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N(Cc1cccnc1)C1CC1 ZINC000544886689 940521801 /nfs/dbraw/zinc/52/18/01/940521801.db2.gz KNSHSHUGNBUAHW-UHFFFAOYSA-N -1 1 422.510 4.079 20 0 HIADMM Cc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1F ZINC000544889761 940522151 /nfs/dbraw/zinc/52/21/51/940522151.db2.gz FRINZGWEHVXTSC-UHFFFAOYSA-N -1 1 413.474 4.257 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000544922998 940525671 /nfs/dbraw/zinc/52/56/71/940525671.db2.gz IIHWGWPBTNXCKL-VIFPVBQESA-N -1 1 418.327 4.068 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)cc1 ZINC000545091938 940541752 /nfs/dbraw/zinc/54/17/52/940541752.db2.gz HAZGMEZATRGDIW-NVXWUHKLSA-N -1 1 413.499 4.128 20 0 HIADMM CCOc1cc(C(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)cc(Cl)c1[O-] ZINC000545137100 940547583 /nfs/dbraw/zinc/54/75/83/940547583.db2.gz VWXGWYYJJKUFDD-CYBMUJFWSA-N -1 1 407.894 4.070 20 0 HIADMM CCOc1cc(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)cc(Cl)c1[O-] ZINC000545168878 940553592 /nfs/dbraw/zinc/55/35/92/940553592.db2.gz QRINQXIYXKEDFZ-UHFFFAOYSA-N -1 1 413.905 4.219 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC(C)(C)c3ccc(C)nc3)cc2)cc1 ZINC000545451841 940570516 /nfs/dbraw/zinc/57/05/16/940570516.db2.gz DHEVGGGQOIDKOG-UHFFFAOYSA-N -1 1 423.538 4.164 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@H]1c1ccncc1 ZINC000545511403 940572499 /nfs/dbraw/zinc/57/24/99/940572499.db2.gz DIKKASRFSMMOLC-NRFANRHFSA-N -1 1 422.510 4.251 20 0 HIADMM CS[C@H]1CCC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000545511024 940572520 /nfs/dbraw/zinc/57/25/20/940572520.db2.gz IBPXOYWMTNTFCR-AEFFLSMTSA-N -1 1 419.572 4.283 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H]1CCCC(F)(F)C1 ZINC000545514177 940572680 /nfs/dbraw/zinc/57/26/80/940572680.db2.gz DPRQBWFNTXNYQD-INIZCTEOSA-N -1 1 409.458 4.187 20 0 HIADMM Cc1cccc(OC(F)F)c1NC(=O)c1ccc(I)c([O-])c1 ZINC000545520047 940572937 /nfs/dbraw/zinc/57/29/37/940572937.db2.gz BKDUOAPEBNENBG-UHFFFAOYSA-N -1 1 419.165 4.159 20 0 HIADMM Cc1ccc(-c2noc(-c3cccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)c3)n2)cn1 ZINC000545567517 940575025 /nfs/dbraw/zinc/57/50/25/940575025.db2.gz ULUJZAXXESHALQ-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM CCc1cccnc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)n1 ZINC000545716769 940582103 /nfs/dbraw/zinc/58/21/03/940582103.db2.gz COBMBVVWBJGVBE-UHFFFAOYSA-N -1 1 420.494 4.470 20 0 HIADMM CCS[C@H](C)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)n1 ZINC000545776828 940585084 /nfs/dbraw/zinc/58/50/84/940585084.db2.gz KDXPBDXZTPBYHW-CYBMUJFWSA-N -1 1 419.528 4.360 20 0 HIADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000545830160 940619317 /nfs/dbraw/zinc/61/93/17/940619317.db2.gz UDAFVCNNTYIPRB-HHHXNRCGSA-N -1 1 421.584 4.325 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCOC2)cc(Cl)c1[O-] ZINC000545853589 940636840 /nfs/dbraw/zinc/63/68/40/940636840.db2.gz HRCQPOHYNSEDBZ-HNNXBMFYSA-N -1 1 419.905 4.098 20 0 HIADMM CCOc1cc(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)cc(Cl)c1[O-] ZINC000545878429 940650247 /nfs/dbraw/zinc/65/02/47/940650247.db2.gz NYCZJWJNBXJDTE-INIZCTEOSA-N -1 1 416.865 4.016 20 0 HIADMM C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1(C)C ZINC000546139482 940710792 /nfs/dbraw/zinc/71/07/92/940710792.db2.gz HPXLZAFOAWMEOU-OAHLLOKOSA-N -1 1 404.507 4.135 20 0 HIADMM CCN(CCC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000546209918 940730289 /nfs/dbraw/zinc/73/02/89/940730289.db2.gz NMBKVJPIUZWDLG-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1ccc(C)c(SCc2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)c1 ZINC000546232237 940737802 /nfs/dbraw/zinc/73/78/02/940737802.db2.gz IAXIOZBYEMNAEQ-UHFFFAOYSA-N -1 1 421.544 4.316 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000546295039 940768805 /nfs/dbraw/zinc/76/88/05/940768805.db2.gz RWJWBBKMZADXKQ-MRVPVSSYSA-N -1 1 404.300 4.144 20 0 HIADMM Cc1cccnc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000546313549 940778929 /nfs/dbraw/zinc/77/89/29/940778929.db2.gz MMBRTRSSDOXXKM-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM Cc1cncc(-c2noc(-c3cc(S(=O)(=O)[N-]c4ccc(F)cc4)ccc3C)n2)c1 ZINC000546318848 940781866 /nfs/dbraw/zinc/78/18/66/940781866.db2.gz QGRMVLGDGJLGCT-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM COCc1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)cc1 ZINC000546345756 940797033 /nfs/dbraw/zinc/79/70/33/940797033.db2.gz SZSUUIMXIRPLHV-UHFFFAOYSA-N -1 1 421.478 4.351 20 0 HIADMM CCc1cnccc1-c1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000546445630 940821876 /nfs/dbraw/zinc/82/18/76/940821876.db2.gz XPVVEBFUQMCRHD-UHFFFAOYSA-N -1 1 406.467 4.162 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc([C@H]4CCO[C@@H](C)C4)no3)c2)c1 ZINC000546506853 940838830 /nfs/dbraw/zinc/83/88/30/940838830.db2.gz QZXIJTNGNQDYRW-HOTGVXAUSA-N -1 1 413.499 4.128 20 0 HIADMM COC1(c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)n2)CCC1 ZINC000546519931 940841896 /nfs/dbraw/zinc/84/18/96/940841896.db2.gz FYKSPFNZOHKNOT-UHFFFAOYSA-N -1 1 419.890 4.216 20 0 HIADMM CCOc1cc(C(=O)N[C@H](c2ccc(OC)cc2)C(F)(F)F)cc(Cl)c1[O-] ZINC000546555249 940851675 /nfs/dbraw/zinc/85/16/75/940851675.db2.gz XFUOOROLYNSIBS-MRXNPFEDSA-N -1 1 403.784 4.486 20 0 HIADMM Cc1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)ccc1-c1ccccc1 ZINC000546554906 940851695 /nfs/dbraw/zinc/85/16/95/940851695.db2.gz TZAKCIFDDFOLOQ-UHFFFAOYSA-N -1 1 415.536 4.007 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(OC)c(Br)c2)cc(Cl)c1[O-] ZINC000546564037 940854444 /nfs/dbraw/zinc/85/44/44/940854444.db2.gz MPWJLXCHKJMRBK-UHFFFAOYSA-N -1 1 400.656 4.468 20 0 HIADMM CCOc1cc(C(=O)Nc2cccc(CSCC(=O)OC)c2)cc(Cl)c1[O-] ZINC000546565917 940854608 /nfs/dbraw/zinc/85/46/08/940854608.db2.gz TYFNHGZLNVRTLH-UHFFFAOYSA-N -1 1 409.891 4.103 20 0 HIADMM CCOc1cc(C(=O)N[C@@H](CC(=O)OC)c2ccc(SC)cc2)cc(Cl)c1[O-] ZINC000546584459 940857947 /nfs/dbraw/zinc/85/79/47/940857947.db2.gz WHONFTODPQVYCO-INIZCTEOSA-N -1 1 423.918 4.200 20 0 HIADMM CCOc1cc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc(Cl)c1[O-] ZINC000546583876 940858018 /nfs/dbraw/zinc/85/80/18/940858018.db2.gz ADZYHNZFWVFFFG-UHFFFAOYSA-N -1 1 423.843 4.458 20 0 HIADMM CCOc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc(Cl)c1[O-] ZINC000546584652 940858241 /nfs/dbraw/zinc/85/82/41/940858241.db2.gz OYFAPTSSMNVODQ-QGZVFWFLSA-N -1 1 414.260 4.451 20 0 HIADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000546869042 940898618 /nfs/dbraw/zinc/89/86/18/940898618.db2.gz ZIWOHKXZNJKLDL-VIFPVBQESA-N -1 1 417.193 4.108 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CC[C@@H]1Cc1ccccc1 ZINC000546924919 940914401 /nfs/dbraw/zinc/91/44/01/940914401.db2.gz OJDHIYBLKQCGFU-OAQYLSRUSA-N -1 1 421.522 4.336 20 0 HIADMM CC[C@@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000546961651 940928752 /nfs/dbraw/zinc/92/87/52/940928752.db2.gz CCTSDONPRVBFQV-HNNXBMFYSA-N -1 1 414.449 4.257 20 0 HIADMM Cc1cncc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)n2)c1 ZINC000547020028 940960420 /nfs/dbraw/zinc/96/04/20/940960420.db2.gz BMCUHAFGMCZGMK-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2cccc(OC(C)C)c2)no1 ZINC000547076001 940985711 /nfs/dbraw/zinc/98/57/11/940985711.db2.gz JNHFJVMDVHKUEJ-UHFFFAOYSA-N -1 1 417.469 4.175 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(CCCOC(C)C)no2)cc1 ZINC000547179525 941023237 /nfs/dbraw/zinc/02/32/37/941023237.db2.gz QZMZLDVMYYZMER-UHFFFAOYSA-N -1 1 415.515 4.203 20 0 HIADMM COC1(c2noc(-c3cccc(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)n2)CCC1 ZINC000547226098 941037412 /nfs/dbraw/zinc/03/74/12/941037412.db2.gz OZKKNLRFOOEADJ-UHFFFAOYSA-N -1 1 419.890 4.216 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)CCC2CC2)c(C(F)(F)F)c1)c1ccco1 ZINC000547270011 941049221 /nfs/dbraw/zinc/04/92/21/941049221.db2.gz IJKDHWBLQIYRQD-UHFFFAOYSA-N -1 1 402.394 4.093 20 0 HIADMM CCOc1cc(C(=O)N(C)Cc2ccc(OC)c(OC(F)F)c2)cc(Cl)c1[O-] ZINC000547290987 941053119 /nfs/dbraw/zinc/05/31/19/941053119.db2.gz YEDVTJMPBJESQT-UHFFFAOYSA-N -1 1 415.820 4.327 20 0 HIADMM COc1cc(C)ccc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000547705320 941072756 /nfs/dbraw/zinc/07/27/56/941072756.db2.gz BNRMTEQUSQYSPW-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000547874745 941079431 /nfs/dbraw/zinc/07/94/31/941079431.db2.gz MGCINXUDWYEKOW-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CC3)c3ccccc32)cc1 ZINC000548149505 941089096 /nfs/dbraw/zinc/08/90/96/941089096.db2.gz KHGXVUJTGSAXFT-UHFFFAOYSA-N -1 1 418.518 4.488 20 0 HIADMM O=C([O-])[C@H](c1ccccc1)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000548580592 941113477 /nfs/dbraw/zinc/11/34/77/941113477.db2.gz VLHPNCOSHMSXBN-QHCPKHFHSA-N -1 1 415.493 4.388 20 0 HIADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)n[n-]1 ZINC000548723723 941121557 /nfs/dbraw/zinc/12/15/57/941121557.db2.gz JWYONFNFIAYURW-AQNXPRMDSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)[n-]1 ZINC000548723723 941121558 /nfs/dbraw/zinc/12/15/58/941121558.db2.gz JWYONFNFIAYURW-AQNXPRMDSA-N -1 1 420.513 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)n1 ZINC000548723723 941121559 /nfs/dbraw/zinc/12/15/59/941121559.db2.gz JWYONFNFIAYURW-AQNXPRMDSA-N -1 1 420.513 4.142 20 0 HIADMM C[C@H]1CC(CC[N-]S(=O)(=O)c2cc(Br)sc2Cl)C[C@H](C)O1 ZINC000549254438 941174420 /nfs/dbraw/zinc/17/44/20/941174420.db2.gz CBYRMXNWIHMCSO-IUCAKERBSA-N -1 1 416.790 4.036 20 0 HIADMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Br)sc2Cl)C[C@H](C)O1 ZINC000549254433 941174458 /nfs/dbraw/zinc/17/44/58/941174458.db2.gz CBYRMXNWIHMCSO-ILWJIGKKSA-N -1 1 416.790 4.036 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ncc(-c3ccccc3F)s2)c(=O)[n-]1 ZINC000549317538 941179489 /nfs/dbraw/zinc/17/94/89/941179489.db2.gz MCCIIAUIHIWKHY-UHFFFAOYSA-N -1 1 404.492 4.046 20 0 HIADMM Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1C ZINC000549584604 941200388 /nfs/dbraw/zinc/20/03/88/941200388.db2.gz JODNURXUHHMYQD-UHFFFAOYSA-N -1 1 419.510 4.316 20 0 HIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(Br)c1Cl ZINC000549585682 941200421 /nfs/dbraw/zinc/20/04/21/941200421.db2.gz BQUBAQFVHBWTAN-UHFFFAOYSA-N -1 1 420.760 4.373 20 0 HIADMM CC(C)c1ccoc1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000550274059 941307776 /nfs/dbraw/zinc/30/77/76/941307776.db2.gz WBPQLISOSOFAAZ-UHFFFAOYSA-N -1 1 416.474 4.273 20 0 HIADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cccc(Cl)c3)c2)cc1 ZINC000551051573 941401278 /nfs/dbraw/zinc/40/12/78/941401278.db2.gz KMQAFMRTRMYKEX-UHFFFAOYSA-N -1 1 421.927 4.211 20 0 HIADMM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000551171235 941421670 /nfs/dbraw/zinc/42/16/70/941421670.db2.gz FWORBCRLMWEYGP-QHCPKHFHSA-N -1 1 405.994 4.378 20 0 HIADMM COc1ccc(NC(=O)N[C@H](CC(C)C)c2cccs2)cc1[N-]S(C)(=O)=O ZINC000551174285 941422183 /nfs/dbraw/zinc/42/21/83/941422183.db2.gz FZPTUISJUMAODY-OAHLLOKOSA-N -1 1 411.549 4.037 20 0 HIADMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000551239830 941433564 /nfs/dbraw/zinc/43/35/64/941433564.db2.gz QPHZSODQAFZKND-UHFFFAOYSA-N -1 1 422.659 4.049 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(Cc4cccnc4)no3)cc2)cc1C ZINC000551406913 941470885 /nfs/dbraw/zinc/47/08/85/941470885.db2.gz DXHZRBTUJPSMOG-UHFFFAOYSA-N -1 1 420.494 4.140 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Br)c1c(F)c(F)ccc1Cl ZINC000551467537 941485645 /nfs/dbraw/zinc/48/56/45/941485645.db2.gz YBCDDIHBYUYAPJ-UHFFFAOYSA-N -1 1 418.593 4.460 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)cc1C(F)(F)F ZINC000551475815 941487096 /nfs/dbraw/zinc/48/70/96/941487096.db2.gz ZIVJPUXGWQRQGZ-LLVKDONJSA-N -1 1 417.405 4.000 20 0 HIADMM Cn1ccc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)cc2c1=O ZINC000551474903 941487324 /nfs/dbraw/zinc/48/73/24/941487324.db2.gz UMCXDCRHNLZPHX-UHFFFAOYSA-N -1 1 416.808 4.012 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc(Br)cn1 ZINC000552197001 941599735 /nfs/dbraw/zinc/59/97/35/941599735.db2.gz AXYATRWKYLTRMA-UHFFFAOYSA-N -1 1 406.461 4.218 20 0 HIADMM O=C(Nc1c(O)cccc1Cl)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000552433517 941669896 /nfs/dbraw/zinc/66/98/96/941669896.db2.gz NGUITFYRNXRSHM-UHFFFAOYSA-N -1 1 420.849 4.238 20 0 HIADMM CCC(CC)(CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1)OC ZINC000552618274 941724843 /nfs/dbraw/zinc/72/48/43/941724843.db2.gz DPJSULPJNKGGKI-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc3nc(C(F)F)sc3c2)c(=O)[n-]1 ZINC000552725058 941746166 /nfs/dbraw/zinc/74/61/66/941746166.db2.gz CDULNXPEXHZMRW-UHFFFAOYSA-N -1 1 410.471 4.331 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000553206154 941848941 /nfs/dbraw/zinc/84/89/41/941848941.db2.gz RSKLSKQGACZGOI-UONOGXRCSA-N -1 1 411.449 4.297 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccnc2cc(F)cnc21 ZINC000553367196 941873765 /nfs/dbraw/zinc/87/37/65/941873765.db2.gz DOWLRUJOPAQEAO-UHFFFAOYSA-N -1 1 422.485 4.206 20 0 HIADMM CSC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC000553933822 942001847 /nfs/dbraw/zinc/00/18/47/942001847.db2.gz WAMDVWUYVINIRN-KRWDZBQOSA-N -1 1 418.584 4.011 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(CCC(C)C)no3)c2)cc1 ZINC000554007113 942018160 /nfs/dbraw/zinc/01/81/60/942018160.db2.gz UKJZFKCOVYTUCJ-UHFFFAOYSA-N -1 1 401.488 4.135 20 0 HIADMM O=C(Nc1cc(F)cc(F)c1F)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000554363833 942114401 /nfs/dbraw/zinc/11/44/01/942114401.db2.gz MYQXAMZIGABVHL-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000554834561 942273537 /nfs/dbraw/zinc/27/35/37/942273537.db2.gz ISZPTWIDYLTMNN-UHFFFAOYSA-N -1 1 406.873 4.490 20 0 HIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000554862130 942295790 /nfs/dbraw/zinc/29/57/90/942295790.db2.gz COJYJHUSNDZXIX-GFCCVEGCSA-N -1 1 419.815 4.394 20 0 HIADMM CCOc1cc(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)cc(Cl)c1[O-] ZINC000554906205 942314068 /nfs/dbraw/zinc/31/40/68/942314068.db2.gz RWGQBZVRSMJYGC-UHFFFAOYSA-N -1 1 411.285 4.176 20 0 HIADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000556375059 942851688 /nfs/dbraw/zinc/85/16/88/942851688.db2.gz IOBTUYMJQREEBB-VIFPVBQESA-N -1 1 408.667 4.358 20 0 HIADMM COc1ccc(C(=O)CCC(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000556851174 942939761 /nfs/dbraw/zinc/93/97/61/942939761.db2.gz OFIORRHSKUVQCD-UHFFFAOYSA-N -1 1 412.667 4.418 20 0 HIADMM CCOc1cc(C(=O)NCc2cc(F)c(F)cc2Br)cc(Cl)c1[O-] ZINC000557685324 943258250 /nfs/dbraw/zinc/25/82/50/943258250.db2.gz BIJBJUKFHUNQCB-UHFFFAOYSA-N -1 1 420.637 4.415 20 0 HIADMM Cc1ccc2[nH]c(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)nc2c1 ZINC000557809223 943298257 /nfs/dbraw/zinc/29/82/57/943298257.db2.gz PNEWMQWZQXFQRL-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1ccc2nc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)[nH]c2c1 ZINC000557809223 943298263 /nfs/dbraw/zinc/29/82/63/943298263.db2.gz PNEWMQWZQXFQRL-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](CC4CC4)C3)c2)cc1F ZINC000557925528 943330463 /nfs/dbraw/zinc/33/04/63/943330463.db2.gz YPEJAVOTSNAXLV-KRWDZBQOSA-N -1 1 416.518 4.197 20 0 HIADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](F)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000557951162 943338041 /nfs/dbraw/zinc/33/80/41/943338041.db2.gz JMKHMNKUNDSMCV-HZPDHXFCSA-N -1 1 410.898 4.070 20 0 HIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c1 ZINC000558584989 943609277 /nfs/dbraw/zinc/60/92/77/943609277.db2.gz BGTJKVUXYBNHFF-UHFFFAOYSA-N -1 1 424.931 4.323 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(C)(C)C(F)(F)F)cc2)cc1 ZINC000558718760 943632884 /nfs/dbraw/zinc/63/28/84/943632884.db2.gz XGCAEEHOOZOFBV-UHFFFAOYSA-N -1 1 414.449 4.114 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)cc1Br ZINC000559937882 944091883 /nfs/dbraw/zinc/09/18/83/944091883.db2.gz RBBCYABWBSWVDO-UHFFFAOYSA-N -1 1 420.288 4.141 20 0 HIADMM Cc1cc(C)n(-c2ccc(C(=O)Nc3c([O-])cc(Br)cc3Cl)cn2)n1 ZINC000560504176 944239139 /nfs/dbraw/zinc/23/91/39/944239139.db2.gz WTLCJYUYVGIMEM-UHFFFAOYSA-N -1 1 421.682 4.258 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000560664728 944287470 /nfs/dbraw/zinc/28/74/70/944287470.db2.gz QYXYFUVCLRQPCN-LJQANCHMSA-N -1 1 424.497 4.256 20 0 HIADMM CC(C)SCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000561659281 944734075 /nfs/dbraw/zinc/73/40/75/944734075.db2.gz ZBNYXKJKNJKQLO-UHFFFAOYSA-N -1 1 412.964 4.012 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc1C ZINC000564097895 945378917 /nfs/dbraw/zinc/37/89/17/945378917.db2.gz BRDHMANSHQFECW-UHFFFAOYSA-N -1 1 409.414 4.100 20 0 HIADMM COC(=O)c1ccc(-c2nc(CSc3nc(C(F)F)cc(=O)[n-]3)cs2)cc1 ZINC000564391669 945551010 /nfs/dbraw/zinc/55/10/10/945551010.db2.gz JFEOUWGPUGXVQJ-UHFFFAOYSA-N -1 1 409.439 4.322 20 0 HIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000564567005 945681936 /nfs/dbraw/zinc/68/19/36/945681936.db2.gz GNVJCACSGOWBMM-UHFFFAOYSA-N -1 1 416.499 4.482 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2ccnc2C)c(C)c1F ZINC000564623956 945715475 /nfs/dbraw/zinc/71/54/75/945715475.db2.gz FUTRSFNLPAGKPI-UHFFFAOYSA-N -1 1 409.870 4.091 20 0 HIADMM CCCCOc1ccc(C(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)cc1 ZINC000568015544 946440978 /nfs/dbraw/zinc/44/09/78/946440978.db2.gz SPRJUMKRHCSIMJ-UHFFFAOYSA-N -1 1 402.516 4.218 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000568147477 946481281 /nfs/dbraw/zinc/48/12/81/946481281.db2.gz GMWGTXGKMCZMTA-RTWAWAEBSA-N -1 1 407.495 4.165 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1sccc1F ZINC000569141889 946820889 /nfs/dbraw/zinc/82/08/89/946820889.db2.gz RWRJOJGCTJDCED-UHFFFAOYSA-N -1 1 412.414 4.219 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c(Cl)c1 ZINC000569615207 946897055 /nfs/dbraw/zinc/89/70/55/946897055.db2.gz YNNFVNVRZNXJBS-UHFFFAOYSA-N -1 1 412.639 4.190 20 0 HIADMM COc1cc(C)c(CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)cc1OC ZINC000569870044 947025990 /nfs/dbraw/zinc/02/59/90/947025990.db2.gz RCOVQRCTPUOBGL-UHFFFAOYSA-N -1 1 400.862 4.192 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)n1 ZINC000570490679 947267958 /nfs/dbraw/zinc/26/79/58/947267958.db2.gz VBLPERUMYJAVNP-HXUWFJFHSA-N -1 1 419.478 4.257 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cncc(C(F)(F)F)c1 ZINC000570963250 947400257 /nfs/dbraw/zinc/40/02/57/947400257.db2.gz HAHJAYCDFLUGFJ-UHFFFAOYSA-N -1 1 421.400 4.154 20 0 HIADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000571549700 947699139 /nfs/dbraw/zinc/69/91/39/947699139.db2.gz WYXHPIYFADTZOQ-QHCPKHFHSA-N -1 1 420.534 4.411 20 0 HIADMM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000572225204 947868070 /nfs/dbraw/zinc/86/80/70/947868070.db2.gz YBKCTBCCEKSSKX-VIFPVBQESA-N -1 1 424.775 4.397 20 0 HIADMM Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1C ZINC000572260639 947870981 /nfs/dbraw/zinc/87/09/81/947870981.db2.gz DVYPFTZXQVCWQI-UHFFFAOYSA-N -1 1 419.510 4.316 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)c(=O)[n-]1 ZINC000572268250 947873246 /nfs/dbraw/zinc/87/32/46/947873246.db2.gz KTVIIAHPEHSJBT-MRXNPFEDSA-N -1 1 424.448 4.046 20 0 HIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000572430054 947901316 /nfs/dbraw/zinc/90/13/16/947901316.db2.gz QUPQVYOWAFPRNB-QGZVFWFLSA-N -1 1 414.453 4.144 20 0 HIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1Cl ZINC000573239444 948117296 /nfs/dbraw/zinc/11/72/96/948117296.db2.gz NWPICYVBJMNESC-UHFFFAOYSA-N -1 1 402.850 4.218 20 0 HIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c[nH]c(-c2ccccc2)n1 ZINC000573259732 948128208 /nfs/dbraw/zinc/12/82/08/948128208.db2.gz LJQAHQXFRTUWOR-UHFFFAOYSA-N -1 1 418.478 4.130 20 0 HIADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC)cc1OC ZINC000573765174 948293059 /nfs/dbraw/zinc/29/30/59/948293059.db2.gz FTNZUFSNLWUPST-MRXNPFEDSA-N -1 1 420.531 4.277 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccc(C(F)F)cc1 ZINC000575365984 948657143 /nfs/dbraw/zinc/65/71/43/948657143.db2.gz CDJOVWSFIIPSAQ-UHFFFAOYSA-N -1 1 400.410 4.363 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1cc[nH]c1C1CCC1 ZINC000576025049 948812227 /nfs/dbraw/zinc/81/22/27/948812227.db2.gz SULQEHBYKWOFFT-UHFFFAOYSA-N -1 1 423.538 4.355 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCC(F)(F)C3)c2)c1 ZINC000435963315 861223872 /nfs/dbraw/zinc/22/38/72/861223872.db2.gz ZFBMNJFKIVAFNM-INIZCTEOSA-N -1 1 422.497 4.269 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(OC)cc1Br ZINC000436019922 861312360 /nfs/dbraw/zinc/31/23/60/861312360.db2.gz XZPXTFPPNLVODT-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1Br ZINC000436028876 861321740 /nfs/dbraw/zinc/32/17/40/861321740.db2.gz WNSHKAGCWIEMQW-UHFFFAOYSA-N -1 1 421.675 4.001 20 0 HIADMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000436183885 861486052 /nfs/dbraw/zinc/48/60/52/861486052.db2.gz JNZVEBIVRXWMSH-CYBMUJFWSA-N -1 1 415.433 4.154 20 0 HIADMM C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000436204775 861504896 /nfs/dbraw/zinc/50/48/96/861504896.db2.gz RZTIXUWXIWJGIA-ZDUSSCGKSA-N -1 1 412.433 4.131 20 0 HIADMM O=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000004879461 845069972 /nfs/dbraw/zinc/06/99/72/845069972.db2.gz NSAHELWQZWICME-UHFFFAOYSA-N -1 1 400.887 4.071 20 0 HIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000007050702 845242428 /nfs/dbraw/zinc/24/24/28/845242428.db2.gz WQOHBCOGYMQWES-UHFFFAOYSA-N -1 1 409.813 4.485 20 0 HIADMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000007057106 845244252 /nfs/dbraw/zinc/24/42/52/845244252.db2.gz YRXMOWUALZXURM-UHFFFAOYSA-N -1 1 410.495 4.365 20 0 HIADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)ccc21 ZINC000007323303 845311221 /nfs/dbraw/zinc/31/12/21/845311221.db2.gz PCSGLCUYWGYKKU-UHFFFAOYSA-N -1 1 406.507 4.454 20 0 HIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4oc5ccccc5c4c3)ccc21 ZINC000007323333 845311475 /nfs/dbraw/zinc/31/14/75/845311475.db2.gz DDRAEZDYTITJAX-UHFFFAOYSA-N -1 1 406.463 4.296 20 0 HIADMM Cc1ccsc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000007898143 845443571 /nfs/dbraw/zinc/44/35/71/845443571.db2.gz YOHUZNUUIZCGGV-UHFFFAOYSA-N -1 1 414.552 4.438 20 0 HIADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1F ZINC000008033401 845464769 /nfs/dbraw/zinc/46/47/69/845464769.db2.gz LBLUJWLJBMUGQH-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCC[C@@H]3C)c2)cc1 ZINC000008033592 845465610 /nfs/dbraw/zinc/46/56/10/845465610.db2.gz XSMSLELNRUIKDA-KKSFZXQISA-N -1 1 416.543 4.195 20 0 HIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cc1F ZINC000008033403 845466408 /nfs/dbraw/zinc/46/64/08/845466408.db2.gz DUNRWIYFOAMWLD-CQSZACIVSA-N -1 1 416.449 4.257 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2C[C@H](c3ccccc3)c3ccccc32)c(=O)[n-]1 ZINC000436274737 861583565 /nfs/dbraw/zinc/58/35/65/861583565.db2.gz MUFDWPOYEJLNCW-LJQANCHMSA-N -1 1 405.523 4.324 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCc2ccc(C)cc2C)cc1 ZINC000010294703 845643042 /nfs/dbraw/zinc/64/30/42/845643042.db2.gz AZVVCKINQISOND-UHFFFAOYSA-N -1 1 424.570 4.372 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000010491945 845666097 /nfs/dbraw/zinc/66/60/97/845666097.db2.gz JUKYONJIOWIHSX-UHFFFAOYSA-N -1 1 404.442 4.313 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc(C(C)C)cs2)cc1 ZINC000010638906 845683587 /nfs/dbraw/zinc/68/35/87/845683587.db2.gz ROBMSLRMHNEGPK-UHFFFAOYSA-N -1 1 403.533 4.225 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)ccn1 ZINC000436294524 861600661 /nfs/dbraw/zinc/60/06/61/861600661.db2.gz XKAQXAALMZYOFC-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCCOc1ccc2ccccc2c1 ZINC000010997250 845739795 /nfs/dbraw/zinc/73/97/95/845739795.db2.gz QWEWQHPKYUFQQI-UHFFFAOYSA-N -1 1 424.551 4.408 20 0 HIADMM COc1ccc2cc(CNC(=O)Cn3c(=S)[n-]nc3-c3cccs3)ccc2c1 ZINC000011125828 845757542 /nfs/dbraw/zinc/75/75/42/845757542.db2.gz FUFWZBDWDHKOFJ-UHFFFAOYSA-N -1 1 410.524 4.147 20 0 HIADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)n1 ZINC000011443725 845796883 /nfs/dbraw/zinc/79/68/83/845796883.db2.gz NCZSWBUIGRKFKA-UHFFFAOYSA-N -1 1 405.829 4.125 20 0 HIADMM O=S(=O)([N-]c1ccccc1F)c1cc(Br)ccc1Br ZINC000011635135 845819597 /nfs/dbraw/zinc/81/95/97/845819597.db2.gz LCIARBYWHHRSMB-UHFFFAOYSA-N -1 1 409.074 4.152 20 0 HIADMM CCOc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1OCC ZINC000011656217 845822272 /nfs/dbraw/zinc/82/22/72/845822272.db2.gz ZJBCXWXUQVMLMK-UHFFFAOYSA-N -1 1 412.515 4.352 20 0 HIADMM Cc1ccc(N2C(=O)C(=Cc3ccc([O-])c(Br)c3)NC2=S)c(C)c1 ZINC000015253775 846024262 /nfs/dbraw/zinc/02/42/62/846024262.db2.gz XNDGQULRNQWBHE-NTEUORMPSA-N -1 1 403.301 4.034 20 0 HIADMM O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015344838 846038065 /nfs/dbraw/zinc/03/80/65/846038065.db2.gz VJPCMKYWMQZIRZ-UHFFFAOYSA-N -1 1 414.914 4.113 20 0 HIADMM COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000015354692 846039336 /nfs/dbraw/zinc/03/93/36/846039336.db2.gz PXCRXMLKWGNSGK-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM CN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015385113 846043182 /nfs/dbraw/zinc/04/31/82/846043182.db2.gz YTOJZSRXNYUEGV-UHFFFAOYSA-N -1 1 420.943 4.475 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1cccc(Cl)c1 ZINC000015413344 846045415 /nfs/dbraw/zinc/04/54/15/846045415.db2.gz KOGVDKVXEFINFN-UHFFFAOYSA-N -1 1 418.877 4.461 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 ZINC000015434213 846048093 /nfs/dbraw/zinc/04/80/93/846048093.db2.gz MIIDGDGIEFLZDV-IRXDYDNUSA-N -1 1 416.543 4.004 20 0 HIADMM C[C@H]1C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000015434106 846048616 /nfs/dbraw/zinc/04/86/16/846048616.db2.gz IRNVBSGWFHAWJM-GJZGRUSLSA-N -1 1 406.935 4.259 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1F ZINC000015744129 846089144 /nfs/dbraw/zinc/08/91/44/846089144.db2.gz OYYMEMLKWXPGRA-UHFFFAOYSA-N -1 1 406.385 4.157 20 0 HIADMM O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015789961 846091126 /nfs/dbraw/zinc/09/11/26/846091126.db2.gz RZDAZUYLPLKMGD-UHFFFAOYSA-N -1 1 418.877 4.210 20 0 HIADMM Cc1cc(C(=O)N[N-]C(=O)c2cc(F)c(F)cc2Cl)c(C)n1-c1ccccc1 ZINC000015835689 846098114 /nfs/dbraw/zinc/09/81/14/846098114.db2.gz VTCIQCJVJFKXCU-UHFFFAOYSA-N -1 1 403.816 4.101 20 0 HIADMM Cc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)cc1 ZINC000015896884 846102158 /nfs/dbraw/zinc/10/21/58/846102158.db2.gz GOEAUVAYWYEIQY-UHFFFAOYSA-N -1 1 412.486 4.173 20 0 HIADMM Cc1c2ccccc2oc1C(=O)[N-]NC(=O)CCCOc1ccc(Cl)cc1C ZINC000015942308 846103746 /nfs/dbraw/zinc/10/37/46/846103746.db2.gz ABXNLGBCWZMZKQ-UHFFFAOYSA-N -1 1 400.862 4.323 20 0 HIADMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)ccc1Cl ZINC000016151595 846130900 /nfs/dbraw/zinc/13/09/00/846130900.db2.gz HPXSGSYHVRAENR-UHFFFAOYSA-N -1 1 413.185 4.304 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1cc(F)cc(F)c1 ZINC000016305439 846150650 /nfs/dbraw/zinc/15/06/50/846150650.db2.gz LIRVQFYUQRTICL-UHFFFAOYSA-N -1 1 420.412 4.086 20 0 HIADMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000016598214 846187993 /nfs/dbraw/zinc/18/79/93/846187993.db2.gz ZOVIKPKTPPAIFL-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCCc1ccc(Cl)cc1Cl ZINC000016636428 846192983 /nfs/dbraw/zinc/19/29/83/846192983.db2.gz NISUZUAVEFYACP-UHFFFAOYSA-N -1 1 413.355 4.335 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000017298052 846241489 /nfs/dbraw/zinc/24/14/89/846241489.db2.gz YIFGNZGROHMZHU-UHFFFAOYSA-N -1 1 404.507 4.388 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000017323510 846246284 /nfs/dbraw/zinc/24/62/84/846246284.db2.gz IVVNVSNNQWDQTQ-QGZVFWFLSA-N -1 1 424.522 4.377 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C3CCCCC3)c2)cc1 ZINC000017357067 846249727 /nfs/dbraw/zinc/24/97/27/846249727.db2.gz ACNJPGHQYAJXLF-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3O)ccc2C)cc1 ZINC000017410449 846252699 /nfs/dbraw/zinc/25/26/99/846252699.db2.gz VTVUGNGVWQWLBP-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM C[C@@H](NC(=O)Cn1c(-c2ccc(Cl)cc2)n[n-]c1=S)c1ccc(F)cc1F ZINC000018015607 846285007 /nfs/dbraw/zinc/28/50/07/846285007.db2.gz KTUAVGVWYALHQR-SNVBAGLBSA-N -1 1 408.861 4.417 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC(CC)CC)c2)cc1 ZINC000018079174 846291980 /nfs/dbraw/zinc/29/19/80/846291980.db2.gz SOFWIWXUOCLUPE-UHFFFAOYSA-N -1 1 424.950 4.458 20 0 HIADMM CCCN(CC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000021784834 846494652 /nfs/dbraw/zinc/49/46/52/846494652.db2.gz CURMXXIRBYDWQZ-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM O=C(CCC(=O)c1cccs1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000021939722 846513756 /nfs/dbraw/zinc/51/37/56/846513756.db2.gz HIGNBIPEFZEDEG-UHFFFAOYSA-N -1 1 424.503 4.419 20 0 HIADMM CCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000022654833 846598865 /nfs/dbraw/zinc/59/88/65/846598865.db2.gz YIKVOXYXZJBLHX-UHFFFAOYSA-N -1 1 418.515 4.350 20 0 HIADMM CCCN(Cc1ccccc1)C(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000022745138 846613698 /nfs/dbraw/zinc/61/36/98/846613698.db2.gz YBVBUIKQAJDQMC-UHFFFAOYSA-N -1 1 410.543 4.445 20 0 HIADMM O=S(=O)([N-]c1ccccc1-c1nnc2n1CCCCC2)c1ccc2c(c1)CCCC2 ZINC000023371012 846690501 /nfs/dbraw/zinc/69/05/01/846690501.db2.gz WOHWACYIDMRKBM-UHFFFAOYSA-N -1 1 422.554 4.351 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(C)cc3)cc2)cc1 ZINC000023709932 846742175 /nfs/dbraw/zinc/74/21/75/846742175.db2.gz DIVXIIKXASDYHM-UHFFFAOYSA-N -1 1 424.522 4.077 20 0 HIADMM Cc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000024389182 846820136 /nfs/dbraw/zinc/82/01/36/846820136.db2.gz AMGIFOHONWYOEG-UHFFFAOYSA-N -1 1 422.550 4.467 20 0 HIADMM O=C(NCc1ccc(Cl)s1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000025524429 846992383 /nfs/dbraw/zinc/99/23/83/846992383.db2.gz SRDSDTLBSTZOLN-UHFFFAOYSA-N -1 1 424.906 4.271 20 0 HIADMM O=C(Nc1nc(C2CC2)cs1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000025562788 847002801 /nfs/dbraw/zinc/00/28/01/847002801.db2.gz GJCGJMDMJHJVDI-UHFFFAOYSA-N -1 1 417.487 4.213 20 0 HIADMM C=CCn1c(Cc2csc(NC(=O)c3cc(SC)ccc3C)n2)n[n-]c1=S ZINC000026095395 847082865 /nfs/dbraw/zinc/08/28/65/847082865.db2.gz SOKSPJKATBZHIG-UHFFFAOYSA-N -1 1 417.585 4.457 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3nc4ccccc4o3)c2)c1 ZINC000026246320 847111255 /nfs/dbraw/zinc/11/12/55/847111255.db2.gz RZZFJQDFAXDYGH-UHFFFAOYSA-N -1 1 422.462 4.294 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000026489520 847157132 /nfs/dbraw/zinc/15/71/32/847157132.db2.gz SGUMPXLOKILCTO-UHFFFAOYSA-N -1 1 423.523 4.378 20 0 HIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2)n1 ZINC000026538841 847166632 /nfs/dbraw/zinc/16/66/32/847166632.db2.gz USZLBWNSNKILGY-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM Cc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000026797148 847199651 /nfs/dbraw/zinc/19/96/51/847199651.db2.gz AQRDNVIJAVEJHZ-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc4c[nH]nc43)cc2)c1C ZINC000026872132 847211887 /nfs/dbraw/zinc/21/18/87/847211887.db2.gz VJAKGWMOIGNOEV-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000027155399 847257879 /nfs/dbraw/zinc/25/78/79/847257879.db2.gz IAGSNYDYQCLUNW-OAHLLOKOSA-N -1 1 406.935 4.403 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)C(C)C)cc2)cc1 ZINC000027232328 847270392 /nfs/dbraw/zinc/27/03/92/847270392.db2.gz IOAQWUFZYMTFNE-MRXNPFEDSA-N -1 1 404.532 4.003 20 0 HIADMM O=C(NCc1cccs1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000027626894 847329319 /nfs/dbraw/zinc/32/93/19/847329319.db2.gz JWGAHTRCVWSMBX-UHFFFAOYSA-N -1 1 424.906 4.271 20 0 HIADMM Cc1ccc(C(=O)Nc2ncccc2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000027651664 847332393 /nfs/dbraw/zinc/33/23/93/847332393.db2.gz QOJYRQWIZAOKEB-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)cc2C[C@@H]1C ZINC000028686639 847447420 /nfs/dbraw/zinc/44/74/20/847447420.db2.gz TUPCMJFABGLFDS-INIZCTEOSA-N -1 1 406.507 4.452 20 0 HIADMM Cc1ccsc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000029236928 847528927 /nfs/dbraw/zinc/52/89/27/847528927.db2.gz CBMLPZSMGVIBGK-UHFFFAOYSA-N -1 1 418.515 4.235 20 0 HIADMM CN(CC1CCCCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000029289274 847540471 /nfs/dbraw/zinc/54/04/71/847540471.db2.gz FMWCANOJBDYPGL-UHFFFAOYSA-N -1 1 422.497 4.418 20 0 HIADMM CCCCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000029431982 847563771 /nfs/dbraw/zinc/56/37/71/847563771.db2.gz ZOTCEWBDLRHLCT-INIZCTEOSA-N -1 1 416.543 4.389 20 0 HIADMM CCCCCCOc1ccc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000029817409 847625767 /nfs/dbraw/zinc/62/57/67/847625767.db2.gz MJKORDODKCRKIC-UHFFFAOYSA-N -1 1 420.531 4.278 20 0 HIADMM CC(=O)Nc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000029816930 847625807 /nfs/dbraw/zinc/62/58/07/847625807.db2.gz YFPOIYNERDDBLN-UHFFFAOYSA-N -1 1 423.494 4.007 20 0 HIADMM CC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1C ZINC000436466076 861814653 /nfs/dbraw/zinc/81/46/53/861814653.db2.gz NHIBSIXLKRZDIX-UHFFFAOYSA-N -1 1 408.479 4.251 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCn4cccc4[C@H]3C)c2)c1 ZINC000030264136 847694031 /nfs/dbraw/zinc/69/40/31/847694031.db2.gz APSVXHSZUPIZNT-GOSISDBHSA-N -1 1 423.538 4.123 20 0 HIADMM Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])c2)oc1C ZINC000436476081 861818751 /nfs/dbraw/zinc/81/87/51/861818751.db2.gz HSKGFBBMIOBMNR-UHFFFAOYSA-N -1 1 412.389 4.484 20 0 HIADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000030381835 847708753 /nfs/dbraw/zinc/70/87/53/847708753.db2.gz RRFVORIRJJXEQI-FOIQADDNSA-N -1 1 404.507 4.277 20 0 HIADMM O=S(=O)([N-]Cc1ccnc(OC2CCCC2)c1)c1cc(Cl)sc1Cl ZINC000030421626 847713964 /nfs/dbraw/zinc/71/39/64/847713964.db2.gz WOQCUHCGAISMEA-UHFFFAOYSA-N -1 1 407.344 4.250 20 0 HIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1)C1CCCCC1 ZINC000030476329 847719178 /nfs/dbraw/zinc/71/91/78/847719178.db2.gz WXHFIFIQNCVOAL-UHFFFAOYSA-N -1 1 416.543 4.291 20 0 HIADMM Cc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)s1 ZINC000030700114 847761979 /nfs/dbraw/zinc/76/19/79/847761979.db2.gz FMULGZDUONWWEX-UHFFFAOYSA-N -1 1 421.931 4.466 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2oc3c(cccc3Br)c2C)c1 ZINC000436501830 861826648 /nfs/dbraw/zinc/82/66/48/861826648.db2.gz AUHBORFYOCIBKE-UHFFFAOYSA-N -1 1 404.216 4.248 20 0 HIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)c1 ZINC000436513935 861830902 /nfs/dbraw/zinc/83/09/02/861830902.db2.gz NUSKUQIVMSTNHB-UHFFFAOYSA-N -1 1 404.850 4.069 20 0 HIADMM COc1ccc(Cl)cc1C1(CNC(=O)c2cc(Cl)ccc2[O-])CCOCC1 ZINC000436534726 861839217 /nfs/dbraw/zinc/83/92/17/861839217.db2.gz PLZOMLJOZQBIOL-UHFFFAOYSA-N -1 1 410.297 4.186 20 0 HIADMM CCOc1cc(C(=O)NCc2cccc(OCC)c2OC(F)F)cc(Cl)c1[O-] ZINC000436524186 861834026 /nfs/dbraw/zinc/83/40/26/861834026.db2.gz ZAKYIUDWSKEACX-UHFFFAOYSA-N -1 1 415.820 4.374 20 0 HIADMM COc1cccc(OC)c1OC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436522046 861834247 /nfs/dbraw/zinc/83/42/47/861834247.db2.gz QMTIRLIDMNBEJS-UHFFFAOYSA-N -1 1 407.466 4.246 20 0 HIADMM CCOc1cc(-c2noc(C34CCC(C(=O)OC)(CC3)CC4)n2)cc(Cl)c1[O-] ZINC000436521708 861834297 /nfs/dbraw/zinc/83/42/97/861834297.db2.gz OOKNOIVRVXZCMW-UHFFFAOYSA-N -1 1 406.866 4.259 20 0 HIADMM Cc1cc(C2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)ccc1Br ZINC000436525063 861834914 /nfs/dbraw/zinc/83/49/14/861834914.db2.gz LVIRWVHUQMRAEY-UHFFFAOYSA-N -1 1 402.288 4.052 20 0 HIADMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436532974 861839404 /nfs/dbraw/zinc/83/94/04/861839404.db2.gz SKUPNRQSZUBCKE-FQEVSTJZSA-N -1 1 404.466 4.106 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N(C)C)c(C)c2)cc1 ZINC000031236714 847849245 /nfs/dbraw/zinc/84/92/45/847849245.db2.gz KBNVECVCPXCSDV-UHFFFAOYSA-N -1 1 411.531 4.020 20 0 HIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc2c(c1)CCCC2=O ZINC000436537376 861841352 /nfs/dbraw/zinc/84/13/52/861841352.db2.gz FOBMIHZAMGLVFF-UHFFFAOYSA-N -1 1 406.482 4.226 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000031486206 847893852 /nfs/dbraw/zinc/89/38/52/847893852.db2.gz RXQJAZQEVBOZLA-UHFFFAOYSA-N -1 1 424.828 4.281 20 0 HIADMM COC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000436540371 861842129 /nfs/dbraw/zinc/84/21/29/861842129.db2.gz WSQQHZQXJBRDSA-LBPRGKRZSA-N -1 1 423.296 4.060 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)cc1 ZINC000031535002 847902029 /nfs/dbraw/zinc/90/20/29/847902029.db2.gz NOPWNYGZRNZSLH-UHFFFAOYSA-N -1 1 407.495 4.140 20 0 HIADMM O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436541620 861843392 /nfs/dbraw/zinc/84/33/92/861843392.db2.gz YQLFFHFTAADWIY-UHFFFAOYSA-N -1 1 408.285 4.079 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](CC)C3)c2)cc1 ZINC000031681474 847928699 /nfs/dbraw/zinc/92/86/99/847928699.db2.gz RQOQJYIAUZNTEI-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000436549273 861846841 /nfs/dbraw/zinc/84/68/41/861846841.db2.gz VOBIQTCFYFLIFT-APPDUMDISA-N -1 1 410.695 4.410 20 0 HIADMM CN(CCOc1ccc(Br)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436553589 861848698 /nfs/dbraw/zinc/84/86/98/861848698.db2.gz DDYLWHJXSQMZIM-UHFFFAOYSA-N -1 1 400.272 4.459 20 0 HIADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436559937 861851575 /nfs/dbraw/zinc/85/15/75/861851575.db2.gz AVNMZUVGZSFGHT-HNNXBMFYSA-N -1 1 409.873 4.085 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)c(F)c1 ZINC000032086836 847986889 /nfs/dbraw/zinc/98/68/89/847986889.db2.gz DAJKCSFALJAWQW-UHFFFAOYSA-N -1 1 402.422 4.391 20 0 HIADMM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cnc21 ZINC000032097970 847986913 /nfs/dbraw/zinc/98/69/13/847986913.db2.gz ROKZJPAHLAKHOG-UHFFFAOYSA-N -1 1 418.828 4.485 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1Br ZINC000032097174 847986946 /nfs/dbraw/zinc/98/69/46/847986946.db2.gz AZOXFYNIANOXOL-UHFFFAOYSA-N -1 1 423.288 4.277 20 0 HIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000436562514 861852717 /nfs/dbraw/zinc/85/27/17/861852717.db2.gz JSUAEIMHSYRMTJ-UHFFFAOYSA-N -1 1 412.917 4.089 20 0 HIADMM COc1ccc(Cn2ncc(C)c2NC(=O)c2cc3ccccc3cc2[O-])cc1OC ZINC000436564195 861853510 /nfs/dbraw/zinc/85/35/10/861853510.db2.gz PVOAWPKGTGPHTQ-UHFFFAOYSA-N -1 1 417.465 4.368 20 0 HIADMM O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436566408 861854007 /nfs/dbraw/zinc/85/40/07/861854007.db2.gz XJUPIBDFYSYZDD-OAQYLSRUSA-N -1 1 416.477 4.114 20 0 HIADMM CCSCC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436571249 861855984 /nfs/dbraw/zinc/85/59/84/861855984.db2.gz CFCZQSDNFVBTMY-LBPRGKRZSA-N -1 1 408.470 4.184 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436571001 861856157 /nfs/dbraw/zinc/85/61/57/861856157.db2.gz ULIFYOJIKVMYSB-LJQANCHMSA-N -1 1 400.425 4.327 20 0 HIADMM Cc1cnc([C@@H](C)NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])s1 ZINC000436575088 861857550 /nfs/dbraw/zinc/85/75/50/861857550.db2.gz MFCQVGJWKSSGFD-LLVKDONJSA-N -1 1 417.437 4.179 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1Cl ZINC000032589483 848050042 /nfs/dbraw/zinc/05/00/42/848050042.db2.gz RBHJFYPGCKOJHA-UHFFFAOYSA-N -1 1 409.920 4.034 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)cc1Cl ZINC000032595264 848050765 /nfs/dbraw/zinc/05/07/65/848050765.db2.gz UQEASLBMSUUKKW-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)c2)n1 ZINC000032592467 848051362 /nfs/dbraw/zinc/05/13/62/848051362.db2.gz FOLXXPXHYNLAPT-UHFFFAOYSA-N -1 1 424.526 4.237 20 0 HIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)c2ccccc12 ZINC000032589835 848051558 /nfs/dbraw/zinc/05/15/58/848051558.db2.gz XYCPNMVRZFDIPL-UHFFFAOYSA-N -1 1 412.511 4.130 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000032627757 848055081 /nfs/dbraw/zinc/05/50/81/848055081.db2.gz KLVPZTBVXWFBCH-UHFFFAOYSA-N -1 1 401.315 4.276 20 0 HIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000032627887 848055226 /nfs/dbraw/zinc/05/52/26/848055226.db2.gz XFDXJOBJQZOFQA-UHFFFAOYSA-N -1 1 406.935 4.112 20 0 HIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1 ZINC000032628056 848055814 /nfs/dbraw/zinc/05/58/14/848055814.db2.gz QLJVNSDRNIYVDK-UHFFFAOYSA-N -1 1 424.950 4.412 20 0 HIADMM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000032631409 848057124 /nfs/dbraw/zinc/05/71/24/848057124.db2.gz WOFYIMNVLWXKTP-NRFANRHFSA-N -1 1 416.458 4.249 20 0 HIADMM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000032631410 848057195 /nfs/dbraw/zinc/05/71/95/848057195.db2.gz WOFYIMNVLWXKTP-OAQYLSRUSA-N -1 1 416.458 4.249 20 0 HIADMM O=C(Nc1ccc(C(=O)Nc2nccs2)c([O-])c1)c1cccc(Br)c1 ZINC000032742511 848070917 /nfs/dbraw/zinc/07/09/17/848070917.db2.gz LJZYSAUJUKXVEJ-UHFFFAOYSA-N -1 1 418.272 4.116 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCc3cccc(F)c32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436594435 861862543 /nfs/dbraw/zinc/86/25/43/861862543.db2.gz IXNHXPLQFXKDQG-UHFFFAOYSA-N -1 1 412.367 4.265 20 0 HIADMM Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000436599179 861863943 /nfs/dbraw/zinc/86/39/43/861863943.db2.gz CTKWBKQZFQIXJP-QFIPXVFZSA-N -1 1 400.478 4.001 20 0 HIADMM Cc1ccc2c(c1)CN(C(=O)c1ccc(NC(=O)c3cc(F)cc(F)c3)cc1[O-])C2 ZINC000436599192 861864444 /nfs/dbraw/zinc/86/44/44/861864444.db2.gz CWMIGBLXGBXKLK-UHFFFAOYSA-N -1 1 408.404 4.387 20 0 HIADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000033098036 848108685 /nfs/dbraw/zinc/10/86/85/848108685.db2.gz OKVOJWJTIQPWPN-PBHICJAKSA-N -1 1 422.497 4.416 20 0 HIADMM C[C@@H]1CCC[C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC000033181500 848120690 /nfs/dbraw/zinc/12/06/90/848120690.db2.gz VURMRDRUPCRJKO-UKRRQHHQSA-N -1 1 408.470 4.074 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc2)cc1 ZINC000033181926 848120931 /nfs/dbraw/zinc/12/09/31/848120931.db2.gz WRSJVIMWTAEGAC-QFBILLFUSA-N -1 1 416.543 4.195 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[C@@H](C)C3)cc2)cc1 ZINC000033181925 848121046 /nfs/dbraw/zinc/12/10/46/848121046.db2.gz WRSJVIMWTAEGAC-APWZRJJASA-N -1 1 416.543 4.195 20 0 HIADMM CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436615882 861870848 /nfs/dbraw/zinc/87/08/48/861870848.db2.gz HKEAWPBVCGSVKM-UHFFFAOYSA-N -1 1 413.905 4.374 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1ccc(C(F)(F)F)cc1 ZINC000036760527 848160676 /nfs/dbraw/zinc/16/06/76/848160676.db2.gz RCXCSZNNZFAQIY-UHFFFAOYSA-N -1 1 408.401 4.480 20 0 HIADMM CC[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436622387 861873404 /nfs/dbraw/zinc/87/34/04/861873404.db2.gz ZBROMNLSDWFUTD-FDDCHVKYSA-N -1 1 416.521 4.460 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000036833368 848167659 /nfs/dbraw/zinc/16/76/59/848167659.db2.gz MWCKWSLGMZWTPF-UHFFFAOYSA-N -1 1 424.400 4.360 20 0 HIADMM CCc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])sc1C ZINC000436622053 861873795 /nfs/dbraw/zinc/87/37/95/861873795.db2.gz YTBFPFPPLKQYIY-SFHVURJKSA-N -1 1 409.511 4.116 20 0 HIADMM CN(Cc1ccccc1NC(=O)c1ccc(O)cc1[O-])C(=O)c1cc2ccccc2o1 ZINC000436625790 861874429 /nfs/dbraw/zinc/87/44/29/861874429.db2.gz NGEGOUAWZIEXGD-UHFFFAOYSA-N -1 1 416.433 4.369 20 0 HIADMM CCc1cc(Br)cc2sc(NC(=O)C(=O)c3ccc([O-])cc3)nc21 ZINC000436640712 861879252 /nfs/dbraw/zinc/87/92/52/861879252.db2.gz QQNAVTHEWPSHJN-UHFFFAOYSA-N -1 1 405.273 4.148 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3ccc(C)nc32)c1 ZINC000436668360 861888362 /nfs/dbraw/zinc/88/83/62/861888362.db2.gz BXLYPZKXARVQNV-UHFFFAOYSA-N -1 1 402.410 4.050 20 0 HIADMM CO[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000436674818 861890712 /nfs/dbraw/zinc/89/07/12/861890712.db2.gz JHTPFORBQSYYST-CQSZACIVSA-N -1 1 423.296 4.202 20 0 HIADMM Cc1cc(=O)c(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)c2n1CCC2 ZINC000436674400 861890823 /nfs/dbraw/zinc/89/08/23/861890823.db2.gz VOMPHSYTAMKGRA-UHFFFAOYSA-N -1 1 401.422 4.318 20 0 HIADMM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043331402 848409819 /nfs/dbraw/zinc/40/98/19/848409819.db2.gz STCPHVLIHXMKJT-UHFFFAOYSA-N -1 1 403.822 4.081 20 0 HIADMM CO[C@H](C)CN(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436710774 861899873 /nfs/dbraw/zinc/89/98/73/861899873.db2.gz YRBAPMKCUHLBDW-LLVKDONJSA-N -1 1 411.285 4.058 20 0 HIADMM CCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1OCC ZINC000043417017 848421346 /nfs/dbraw/zinc/42/13/46/848421346.db2.gz FINWTVXXNXIAJW-UHFFFAOYSA-N -1 1 412.486 4.316 20 0 HIADMM C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])c1cn[nH]c1 ZINC000436722882 861907625 /nfs/dbraw/zinc/90/76/25/861907625.db2.gz QCKZGONXNNSYLX-SNVBAGLBSA-N -1 1 419.268 4.165 20 0 HIADMM C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC12CCC2 ZINC000436721648 861907914 /nfs/dbraw/zinc/90/79/14/861907914.db2.gz MLWUPEXWBDSFSH-DYESRHJHSA-N -1 1 406.526 4.189 20 0 HIADMM Cc1nc2ccc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])cc2s1 ZINC000436731067 861916599 /nfs/dbraw/zinc/91/65/99/861916599.db2.gz ZRBUFIFXGYEGMI-UHFFFAOYSA-N -1 1 408.439 4.111 20 0 HIADMM CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000436738210 861922479 /nfs/dbraw/zinc/92/24/79/861922479.db2.gz RXYVEDSWZGDXHX-UHFFFAOYSA-N -1 1 405.292 4.069 20 0 HIADMM O=C(CSc1nc(-c2ccccc2)cs1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000045395597 848673468 /nfs/dbraw/zinc/67/34/68/848673468.db2.gz LIYIIOLBSYIQJQ-UHFFFAOYSA-N -1 1 420.462 4.460 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cc(-c3ccccc3)no2)cc1 ZINC000045831321 848737380 /nfs/dbraw/zinc/73/73/80/848737380.db2.gz RQKQOJNPNKMWMG-UHFFFAOYSA-N -1 1 419.510 4.278 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436758030 861945373 /nfs/dbraw/zinc/94/53/73/861945373.db2.gz XFKGLONIRGJUCD-FQEVSTJZSA-N -1 1 423.419 4.295 20 0 HIADMM CCN(C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-])c1ccccc1 ZINC000436760015 861949424 /nfs/dbraw/zinc/94/94/24/861949424.db2.gz KJJVTWICIRXEKP-UHFFFAOYSA-N -1 1 420.465 4.328 20 0 HIADMM CC1(C)CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCO1 ZINC000436761394 861950789 /nfs/dbraw/zinc/95/07/89/861950789.db2.gz ZGWHGVNJRGRHCT-UHFFFAOYSA-N -1 1 423.296 4.202 20 0 HIADMM COc1cccc(CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000046588561 848881051 /nfs/dbraw/zinc/88/10/51/848881051.db2.gz JVZOHYYOHWNJDG-UHFFFAOYSA-N -1 1 410.495 4.067 20 0 HIADMM O=C(Cc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588232 848881096 /nfs/dbraw/zinc/88/10/96/848881096.db2.gz WKSSEODSRQZSAW-UHFFFAOYSA-N -1 1 405.479 4.150 20 0 HIADMM Cc1ccc(NC(=O)c2ccc(Cl)nc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591962 848882039 /nfs/dbraw/zinc/88/20/39/848882039.db2.gz ACBPZOMUOFBNHW-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM Cc1cc(C)cc(OCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000046611612 848885441 /nfs/dbraw/zinc/88/54/41/848885441.db2.gz FQBXKAHQIXKLER-UHFFFAOYSA-N -1 1 410.495 4.122 20 0 HIADMM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611905 848886230 /nfs/dbraw/zinc/88/62/30/848886230.db2.gz VFIRXOIJCVTHLZ-OAHLLOKOSA-N -1 1 414.458 4.033 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc2cccnc21 ZINC000046611663 848886264 /nfs/dbraw/zinc/88/62/64/848886264.db2.gz XDEHEMINFXGDSA-UHFFFAOYSA-N -1 1 403.463 4.288 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3cccc(F)c3)c2)cc1F ZINC000046654748 848900102 /nfs/dbraw/zinc/90/01/02/848900102.db2.gz NTOKGYCCLWBDBE-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM CCOc1cc(-c2noc(-c3cc(C)cc4c[nH]nc43)n2)cc(Br)c1[O-] ZINC000436769080 861960402 /nfs/dbraw/zinc/96/04/02/861960402.db2.gz KQWNYRMLWLFOTB-UHFFFAOYSA-N -1 1 415.247 4.455 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3COc4ccccc4O3)n2)cc(Br)c1[O-] ZINC000436771432 861962168 /nfs/dbraw/zinc/96/21/68/861962168.db2.gz VMGVCASMEUWIOY-HNNXBMFYSA-N -1 1 419.231 4.116 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CCCC1 ZINC000047216552 849005957 /nfs/dbraw/zinc/00/59/57/849005957.db2.gz WFVOBKHOTBTEER-UHFFFAOYSA-N -1 1 408.470 4.170 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccncc2)cc1 ZINC000047277903 849019098 /nfs/dbraw/zinc/01/90/98/849019098.db2.gz NTCFDXRCJBJWEB-QGZVFWFLSA-N -1 1 409.511 4.024 20 0 HIADMM Cc1ccccc1SCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362067 849032628 /nfs/dbraw/zinc/03/26/28/849032628.db2.gz UOTBGRJBUICFKI-CQSZACIVSA-N -1 1 409.536 4.140 20 0 HIADMM O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1ccc(F)c(Cl)c1 ZINC000047417214 849042813 /nfs/dbraw/zinc/04/28/13/849042813.db2.gz VKLCFNNNENOZBW-UHFFFAOYSA-N -1 1 401.897 4.283 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2nc(C)c(-c3ccccc3)s2)c(=O)[n-]1 ZINC000047449660 849049978 /nfs/dbraw/zinc/04/99/78/849049978.db2.gz FRQHNXUROZVNID-UHFFFAOYSA-N -1 1 400.529 4.216 20 0 HIADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000436787961 861982399 /nfs/dbraw/zinc/98/23/99/861982399.db2.gz ABHKEPOHPVJRLP-INIZCTEOSA-N -1 1 414.658 4.161 20 0 HIADMM CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436793461 861986320 /nfs/dbraw/zinc/98/63/20/861986320.db2.gz RDBFNQYTKQFIKB-UHFFFAOYSA-N -1 1 405.376 4.111 20 0 HIADMM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(C(F)(F)F)cc2[O-])o1 ZINC000436809199 861996944 /nfs/dbraw/zinc/99/69/44/861996944.db2.gz RUFVECXTKVOIOO-INIZCTEOSA-N -1 1 403.360 4.042 20 0 HIADMM Cc1cc2ccccc2n1CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817353 849271038 /nfs/dbraw/zinc/27/10/38/849271038.db2.gz NAIRVKJFGVTUBJ-MRXNPFEDSA-N -1 1 416.506 4.003 20 0 HIADMM CCOc1cc(-c2noc([C@H](C)Oc3cccnc3)n2)cc(Br)c1[O-] ZINC000436820090 862003408 /nfs/dbraw/zinc/00/34/08/862003408.db2.gz KMQJMWVMOWDXJA-JTQLQIEISA-N -1 1 406.236 4.138 20 0 HIADMM O=C(Nc1ccc(C(=O)N(C2CCC2)C2CCC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436828138 862009786 /nfs/dbraw/zinc/00/97/86/862009786.db2.gz XATJRCKCICQFEX-UHFFFAOYSA-N -1 1 400.425 4.470 20 0 HIADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000436831762 862012604 /nfs/dbraw/zinc/01/26/04/862012604.db2.gz GKBOQBYLBSQRJN-OAHLLOKOSA-N -1 1 405.376 4.401 20 0 HIADMM CCc1nc(C)c(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000050574460 849395566 /nfs/dbraw/zinc/39/55/66/849395566.db2.gz QTDXBQYVJYCHTB-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cc(Br)ccc1[O-] ZINC000436858810 862039389 /nfs/dbraw/zinc/03/93/89/862039389.db2.gz HZNUOGWSKAFSRF-UHFFFAOYSA-N -1 1 406.276 4.212 20 0 HIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1nccnc1-c1nc2ccccc2s1 ZINC000053209647 849679240 /nfs/dbraw/zinc/67/92/40/849679240.db2.gz YUQCXLSDFAPSMY-UHFFFAOYSA-N -1 1 406.452 4.117 20 0 HIADMM O=C(Nc1cccc(OC(F)F)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000053434001 849710275 /nfs/dbraw/zinc/71/02/75/849710275.db2.gz MCSPBHVZJFAGCD-UHFFFAOYSA-N -1 1 418.421 4.341 20 0 HIADMM [O-]c1ccc(-c2noc([C@@H](c3cc(Cl)cc(Cl)c3)N3CCOCC3)n2)cc1F ZINC000436872302 862048384 /nfs/dbraw/zinc/04/83/84/862048384.db2.gz KDZOGCLAYDQCBE-QGZVFWFLSA-N -1 1 424.259 4.310 20 0 HIADMM COCCOc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1Cl ZINC000436871679 862048536 /nfs/dbraw/zinc/04/85/36/862048536.db2.gz RMEOZTNFEHKKID-UHFFFAOYSA-N -1 1 400.656 4.086 20 0 HIADMM COc1ccc2c(c1)[C@H](c1nc(-c3cc(Br)c([O-])c(OC)c3)no1)CC2 ZINC000436872742 862050106 /nfs/dbraw/zinc/05/01/06/862050106.db2.gz KXACHCVZZQZOQE-CYBMUJFWSA-N -1 1 417.259 4.300 20 0 HIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C2CCC(C)CC2)cc1 ZINC000053638562 849740550 /nfs/dbraw/zinc/74/05/50/849740550.db2.gz LCQMKXQBEIXXST-UHFFFAOYSA-N -1 1 402.564 4.434 20 0 HIADMM CSCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436874813 862052709 /nfs/dbraw/zinc/05/27/09/862052709.db2.gz RRCQMKICQUDQJA-UHFFFAOYSA-N -1 1 413.326 4.434 20 0 HIADMM [O-]c1ccc(-c2noc([C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)c(F)c1 ZINC000436876572 862054028 /nfs/dbraw/zinc/05/40/28/862054028.db2.gz ACSVZABKNMXWSC-KRWDZBQOSA-N -1 1 424.259 4.310 20 0 HIADMM COc1cc(-c2noc([C@H]3CCC(=O)[C@@H](C)C3(C)C)n2)cc(Br)c1[O-] ZINC000436877506 862054610 /nfs/dbraw/zinc/05/46/10/862054610.db2.gz GVRRGPYCSFJMJS-MWLCHTKSSA-N -1 1 409.280 4.322 20 0 HIADMM CCCOc1cccnc1-c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436879373 862057332 /nfs/dbraw/zinc/05/73/32/862057332.db2.gz MSOXAMZVYPCIQR-UHFFFAOYSA-N -1 1 406.236 4.064 20 0 HIADMM [O-]c1ccc(-c2noc(-c3cc(Br)cnc3OCC3CC3)n2)cc1F ZINC000436878627 862057419 /nfs/dbraw/zinc/05/74/19/862057419.db2.gz KOXCWSBAGLMVIO-UHFFFAOYSA-N -1 1 406.211 4.195 20 0 HIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000436885356 862063758 /nfs/dbraw/zinc/06/37/58/862063758.db2.gz CPUUHIBIQCTSDY-QMMMGPOBSA-N -1 1 420.229 4.021 20 0 HIADMM COc1cc(-c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])n2)ccn1 ZINC000436887309 862064534 /nfs/dbraw/zinc/06/45/34/862064534.db2.gz NPMLIZPAYBWGJD-UHFFFAOYSA-N -1 1 424.363 4.043 20 0 HIADMM CCc1nc(-c2ccc(C(=O)Nc3cc(C)cc(Br)c3[O-])cc2)n[nH]1 ZINC000436891792 862067812 /nfs/dbraw/zinc/06/78/12/862067812.db2.gz HYCOBHMTZKEIBI-UHFFFAOYSA-N -1 1 401.264 4.063 20 0 HIADMM Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436892208 862068094 /nfs/dbraw/zinc/06/80/94/862068094.db2.gz ISUFPFAGLFTEFX-UHFFFAOYSA-N -1 1 414.303 4.290 20 0 HIADMM Cc1occc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000055461442 850030904 /nfs/dbraw/zinc/03/09/04/850030904.db2.gz AEHSVBDEABIGML-UHFFFAOYSA-N -1 1 412.511 4.278 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000055594920 850071845 /nfs/dbraw/zinc/07/18/45/850071845.db2.gz CKZAGNQFRYYAIU-UHFFFAOYSA-N -1 1 418.849 4.399 20 0 HIADMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)cn2)cc1 ZINC000055621654 850080981 /nfs/dbraw/zinc/08/09/81/850080981.db2.gz NKJCPBQCWLQXTI-UHFFFAOYSA-N -1 1 408.435 4.090 20 0 HIADMM O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1cccc(Br)c1 ZINC000055632257 850083368 /nfs/dbraw/zinc/08/33/68/850083368.db2.gz RPBQIZUVEQPSQA-UHFFFAOYSA-N -1 1 419.300 4.224 20 0 HIADMM O=C(NC1CC1)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000055639397 850086554 /nfs/dbraw/zinc/08/65/54/850086554.db2.gz PAMQGDAMMUQRKM-UHFFFAOYSA-N -1 1 419.717 4.340 20 0 HIADMM O=C(Nc1ccc(C(=O)N2CC(C3CCCC3)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436914327 862093253 /nfs/dbraw/zinc/09/32/53/862093253.db2.gz YWQIIBTXECUETC-UHFFFAOYSA-N -1 1 400.425 4.185 20 0 HIADMM O=C(CCc1ncc(-c2ccccc2)o1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915630 862095819 /nfs/dbraw/zinc/09/58/19/862095819.db2.gz RJJPJUBXDLPWHP-UHFFFAOYSA-N -1 1 409.833 4.057 20 0 HIADMM O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915630 862095836 /nfs/dbraw/zinc/09/58/36/862095836.db2.gz RJJPJUBXDLPWHP-UHFFFAOYSA-N -1 1 409.833 4.057 20 0 HIADMM CSc1cccc([C@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccc(F)c(F)c2)c1 ZINC000436915254 862096612 /nfs/dbraw/zinc/09/66/12/862096612.db2.gz PMPGJSGZXFDZID-FQEVSTJZSA-N -1 1 413.445 4.481 20 0 HIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1cc(F)ccc1O ZINC000436917413 862098341 /nfs/dbraw/zinc/09/83/41/862098341.db2.gz ZBPLABUGKCFQNY-UHFFFAOYSA-N -1 1 405.017 4.014 20 0 HIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000436933007 862110070 /nfs/dbraw/zinc/11/00/70/862110070.db2.gz PFKKHASGQOZSTE-LLVKDONJSA-N -1 1 423.313 4.266 20 0 HIADMM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000056249382 850297664 /nfs/dbraw/zinc/29/76/64/850297664.db2.gz XGAQVMSBATTXHD-UHFFFAOYSA-N -1 1 414.903 4.333 20 0 HIADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(-c2ccc(N3CCOCC3)cn2)no1 ZINC000436937559 862115218 /nfs/dbraw/zinc/11/52/18/862115218.db2.gz FXPJYEXKRYHSSM-UHFFFAOYSA-N -1 1 416.437 4.133 20 0 HIADMM CN(C(=O)c1cc(Br)ccc1[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000436942016 862118957 /nfs/dbraw/zinc/11/89/57/862118957.db2.gz SSCYLICAGJJBMN-YJBOKZPZSA-N -1 1 408.267 4.286 20 0 HIADMM CCOc1cc(-c2noc(/C=C\c3cncc(C)c3)n2)cc(Br)c1[O-] ZINC000436954285 862134280 /nfs/dbraw/zinc/13/42/80/862134280.db2.gz VBZVZHIRRXRHTB-PLNGDYQASA-N -1 1 402.248 4.477 20 0 HIADMM O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1)c1ccccc1 ZINC000436952512 862130854 /nfs/dbraw/zinc/13/08/54/862130854.db2.gz JIMJHSKZJGHNSO-HNNXBMFYSA-N -1 1 424.888 4.041 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436954210 862133308 /nfs/dbraw/zinc/13/33/08/862133308.db2.gz FDHLTOSJUFNHIG-FQEVSTJZSA-N -1 1 403.385 4.244 20 0 HIADMM CCOc1cc(-c2noc(-c3ccc4c(c3)SCC(=O)N4)n2)cc(Cl)c1[O-] ZINC000436955231 862136110 /nfs/dbraw/zinc/13/61/10/862136110.db2.gz JPUANIRHUIOKSK-UHFFFAOYSA-N -1 1 403.847 4.206 20 0 HIADMM COC(=O)Nc1cccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)c1 ZINC000057364489 850616256 /nfs/dbraw/zinc/61/62/56/850616256.db2.gz FOMLROJWXXETAK-UHFFFAOYSA-N -1 1 411.487 4.123 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(F)(F)F)c2)cc1C ZINC000057391129 850626555 /nfs/dbraw/zinc/62/65/55/850626555.db2.gz ISAWXWORONZYQI-UHFFFAOYSA-N -1 1 420.840 4.050 20 0 HIADMM COCCOc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000057487858 850650931 /nfs/dbraw/zinc/65/09/31/850650931.db2.gz LTFHINLKPZVLDZ-UHFFFAOYSA-N -1 1 413.495 4.188 20 0 HIADMM Cc1cnc2c(cccc2S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000057769586 850711488 /nfs/dbraw/zinc/71/14/88/850711488.db2.gz GEHFZFIMRSBALS-UHFFFAOYSA-N -1 1 410.373 4.061 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C)c3ccccc32)c1 ZINC000436988014 862165526 /nfs/dbraw/zinc/16/55/26/862165526.db2.gz KJYRRRDDMXLSMJ-CQSZACIVSA-N -1 1 405.454 4.485 20 0 HIADMM CC(C)[C@H](C)N(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000058262921 850789161 /nfs/dbraw/zinc/78/91/61/850789161.db2.gz XNHMKIZSLLGHKQ-HNNXBMFYSA-N -1 1 404.507 4.276 20 0 HIADMM CC(C)[C@H](C)N(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CC1 ZINC000058262939 850789373 /nfs/dbraw/zinc/78/93/73/850789373.db2.gz MKPOZJBHZNYAED-HNNXBMFYSA-N -1 1 404.507 4.276 20 0 HIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](OCc2ccccc2F)C1 ZINC000436996318 862169350 /nfs/dbraw/zinc/16/93/50/862169350.db2.gz GNECEIPLVWEWFP-HNNXBMFYSA-N -1 1 408.267 4.115 20 0 HIADMM Cc1nc(COC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)oc1C ZINC000058308688 850798732 /nfs/dbraw/zinc/79/87/32/850798732.db2.gz AQSWFRMDWYODMK-UHFFFAOYSA-N -1 1 420.874 4.103 20 0 HIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1)C1CCCC1 ZINC000058365775 850810077 /nfs/dbraw/zinc/81/00/77/850810077.db2.gz UIVRITRYVKNIDO-UHFFFAOYSA-N -1 1 404.507 4.340 20 0 HIADMM CCOc1cc(-c2noc([C@H](C)c3c(C)n[nH]c3C)n2)cc(Br)c1[O-] ZINC000437003845 862177730 /nfs/dbraw/zinc/17/77/30/862177730.db2.gz PZIWTFUKKMNPEP-MRVPVSSYSA-N -1 1 407.268 4.095 20 0 HIADMM CCOC(=O)C1=C(NC(=O)[C@H](C)c2c(C)nn(C)c2C)[N-]c2ccccc2N=C1C ZINC000058617754 850869218 /nfs/dbraw/zinc/86/92/18/850869218.db2.gz HWCAVBISWPSGDP-GFCCVEGCSA-N -1 1 409.490 4.090 20 0 HIADMM CCCCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@H](C)O)cc2)cc1 ZINC000058640103 850877265 /nfs/dbraw/zinc/87/72/65/850877265.db2.gz JWWNSEFPVJAGTM-INIZCTEOSA-N -1 1 405.516 4.278 20 0 HIADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC3)cc2)c1C ZINC000060633188 851173649 /nfs/dbraw/zinc/17/36/49/851173649.db2.gz WOYKUDZSYGSAIS-UHFFFAOYSA-N -1 1 400.544 4.248 20 0 HIADMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2SC(F)(F)F)cc1 ZINC000060738705 851201068 /nfs/dbraw/zinc/20/10/68/851201068.db2.gz AXMZPTXWDCXJIY-UHFFFAOYSA-N -1 1 405.419 4.117 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(Br)cc1Cl ZINC000061095167 851292447 /nfs/dbraw/zinc/29/24/47/851292447.db2.gz ROIJLBPUFPGCPG-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM COc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)c2cccnc12 ZINC000061429091 851374581 /nfs/dbraw/zinc/37/45/81/851374581.db2.gz QLKLADOOGFENRT-UHFFFAOYSA-N -1 1 405.483 4.112 20 0 HIADMM O=C([N-]NC(=O)c1ccoc1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000061501775 851390014 /nfs/dbraw/zinc/39/00/14/851390014.db2.gz KGYQKOKIWIZZIW-UHFFFAOYSA-N -1 1 417.830 4.067 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(Nc2ccccc2)n1 ZINC000062294432 851526327 /nfs/dbraw/zinc/52/63/27/851526327.db2.gz BWMZAKBCOBMGLN-UHFFFAOYSA-N -1 1 417.512 4.005 20 0 HIADMM C[C@@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)c2)C1 ZINC000062930741 851607937 /nfs/dbraw/zinc/60/79/37/851607937.db2.gz JDOBHWJBWPXFCM-BEFAXECRSA-N -1 1 414.527 4.077 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](C)CC3)cc2)cc1 ZINC000063273895 851647736 /nfs/dbraw/zinc/64/77/36/851647736.db2.gz AMJCMVMINZZIDE-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM CC(C)Cc1nc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cs1 ZINC000063645428 851733046 /nfs/dbraw/zinc/73/30/46/851733046.db2.gz NQTKMPMXPCGJBN-UHFFFAOYSA-N -1 1 415.540 4.395 20 0 HIADMM Cc1ccc(Oc2ccc(NC(=O)c3cc(C)ccc3[N-]S(C)(=O)=O)cn2)cc1 ZINC000063837270 851775231 /nfs/dbraw/zinc/77/52/31/851775231.db2.gz YOEHJGWFIFCNTC-UHFFFAOYSA-N -1 1 411.483 4.115 20 0 HIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)sc2c1)c1ccc2c(c1)OCCCO2 ZINC000063879463 851784481 /nfs/dbraw/zinc/78/44/81/851784481.db2.gz ZLMKOUMDKAXNLE-UHFFFAOYSA-N -1 1 402.497 4.136 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063912084 851791280 /nfs/dbraw/zinc/79/12/80/851791280.db2.gz JCQSZKJNOJBDMF-UHFFFAOYSA-N -1 1 404.385 4.302 20 0 HIADMM CCCCc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)n[nH]1 ZINC000064078752 851824262 /nfs/dbraw/zinc/82/42/62/851824262.db2.gz FKYGEATVOOOVCW-UHFFFAOYSA-N -1 1 412.515 4.114 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(C(F)(F)F)c1 ZINC000064375178 851881601 /nfs/dbraw/zinc/88/16/01/851881601.db2.gz IDAOUPBUQBTPNQ-UHFFFAOYSA-N -1 1 417.405 4.066 20 0 HIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1 ZINC000064475297 851906803 /nfs/dbraw/zinc/90/68/03/851906803.db2.gz BMDLFULQJYNOBQ-UHFFFAOYSA-N -1 1 418.462 4.490 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](Cc2ccc(F)cc2)C(C)C)c(=O)[n-]1 ZINC000437119921 862307624 /nfs/dbraw/zinc/30/76/24/862307624.db2.gz RUDDRXTWWSXOBO-GOSISDBHSA-N -1 1 405.539 4.010 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)c(=O)[n-]1 ZINC000437119922 862307908 /nfs/dbraw/zinc/30/79/08/862307908.db2.gz RUDDRXTWWSXOBO-SFHVURJKSA-N -1 1 405.539 4.010 20 0 HIADMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000064938131 852025989 /nfs/dbraw/zinc/02/59/89/852025989.db2.gz OAKVWZDWXPYZSY-MRXNPFEDSA-N -1 1 410.495 4.128 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)ccc1NC(C)=O ZINC000064937940 852026331 /nfs/dbraw/zinc/02/63/31/852026331.db2.gz JVPKLGALBOASPZ-UHFFFAOYSA-N -1 1 420.434 4.066 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(SC(F)(F)F)cc3)c2)n[nH]1 ZINC000064938015 852026559 /nfs/dbraw/zinc/02/65/59/852026559.db2.gz BRZFGFZVNLYCKA-UHFFFAOYSA-N -1 1 414.434 4.193 20 0 HIADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937979 852026604 /nfs/dbraw/zinc/02/66/04/852026604.db2.gz ZNUDFEGHLZWYQI-UHFFFAOYSA-N -1 1 406.407 4.278 20 0 HIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(SC(F)(F)F)cc3)cc2)n[nH]1 ZINC000065080202 852057755 /nfs/dbraw/zinc/05/77/55/852057755.db2.gz NUWQGUJSYAVTSO-UHFFFAOYSA-N -1 1 414.434 4.193 20 0 HIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(COCC2CC2)c1 ZINC000065122311 852071652 /nfs/dbraw/zinc/07/16/52/852071652.db2.gz KHGBTUBOLBIWCI-UHFFFAOYSA-N -1 1 402.516 4.017 20 0 HIADMM O=C(NCc1ccco1)N[N-]C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000065175732 852083856 /nfs/dbraw/zinc/08/38/56/852083856.db2.gz LTIWBVUKHKDICT-UHFFFAOYSA-N -1 1 410.282 4.459 20 0 HIADMM Cc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000065613675 852198648 /nfs/dbraw/zinc/19/86/48/852198648.db2.gz MIYAAYHXVXMYJM-UHFFFAOYSA-N -1 1 408.523 4.077 20 0 HIADMM Cc1cc(NC(=O)N[N-]C(=O)c2ccc(-c3ccc(F)cc3)s2)n(C(C)(C)C)n1 ZINC000065776489 852252048 /nfs/dbraw/zinc/25/20/48/852252048.db2.gz CTCGHODZDJKSHV-UHFFFAOYSA-N -1 1 415.494 4.281 20 0 HIADMM C[C@@H]1CCC[C@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H]1C ZINC000068968776 852378364 /nfs/dbraw/zinc/37/83/64/852378364.db2.gz ITQHQVUHJJYDJK-ZOCZFRKYSA-N -1 1 418.534 4.110 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCCCCC3)cc2)cc1 ZINC000069667269 852399635 /nfs/dbraw/zinc/39/96/35/852399635.db2.gz VBDMONOCCXCQCG-UHFFFAOYSA-N -1 1 416.543 4.292 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C)(C)CC(C)(C)C)c2)cc1 ZINC000071837744 852415541 /nfs/dbraw/zinc/41/55/41/852415541.db2.gz RZEIWDXUTXSQOZ-UHFFFAOYSA-N -1 1 418.559 4.441 20 0 HIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1 ZINC000071867884 852422159 /nfs/dbraw/zinc/42/21/59/852422159.db2.gz KHRLAALNDKMFQB-UHFFFAOYSA-N -1 1 424.522 4.158 20 0 HIADMM CCO[C@H](CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000072027947 852472562 /nfs/dbraw/zinc/47/25/62/852472562.db2.gz CWHXWQWOXATVRN-QGZVFWFLSA-N -1 1 410.923 4.203 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc3ncccc32)cc1 ZINC000096968604 852564420 /nfs/dbraw/zinc/56/44/20/852564420.db2.gz ZEMSSRULGPDEAL-UHFFFAOYSA-N -1 1 405.483 4.193 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000097099149 852583118 /nfs/dbraw/zinc/58/31/18/852583118.db2.gz ZUFGDPXFIRDHQY-UHFFFAOYSA-N -1 1 401.470 4.171 20 0 HIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000097554965 852631348 /nfs/dbraw/zinc/63/13/48/852631348.db2.gz CENWVVULVKYIHG-UHFFFAOYSA-N -1 1 400.335 4.243 20 0 HIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2C)CC1 ZINC000097555380 852631556 /nfs/dbraw/zinc/63/15/56/852631556.db2.gz CAPQYZKJKUKUON-UHFFFAOYSA-N -1 1 407.543 4.351 20 0 HIADMM CC(C)n1c(C2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)n[n-]c1=S ZINC000097555179 852631565 /nfs/dbraw/zinc/63/15/65/852631565.db2.gz UVAZLGWPMKHZKU-UHFFFAOYSA-N -1 1 412.481 4.489 20 0 HIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)CCCOc2ccccc2Cl)CC1 ZINC000097555338 852631573 /nfs/dbraw/zinc/63/15/73/852631573.db2.gz CLOVMTATHYHUJD-UHFFFAOYSA-N -1 1 408.955 4.179 20 0 HIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCc3ccccc32)cc1 ZINC000105646645 852719240 /nfs/dbraw/zinc/71/92/40/852719240.db2.gz WIRSJMCUXJQNSB-IBGZPJMESA-N -1 1 408.527 4.152 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCS[C@@H](C(C)C)C3)cc2)cc1 ZINC000437194796 862386347 /nfs/dbraw/zinc/38/63/47/862386347.db2.gz OWNQUZVHOPHPMU-HXUWFJFHSA-N -1 1 418.584 4.009 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)[nH]n3)c2)cc1 ZINC000108666084 852870190 /nfs/dbraw/zinc/87/01/90/852870190.db2.gz HXUSHVFIJSNCLV-UHFFFAOYSA-N -1 1 412.515 4.069 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cnc(C(C)(C)C)nc3)c2)c1 ZINC000109126696 852924926 /nfs/dbraw/zinc/92/49/26/852924926.db2.gz FTNVAOPZWIKUGZ-UHFFFAOYSA-N -1 1 424.526 4.136 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CC3CCCC3)cc2)ccc1F ZINC000109433339 852969645 /nfs/dbraw/zinc/96/96/45/852969645.db2.gz JMCGEMREIZLDSC-UHFFFAOYSA-N -1 1 404.507 4.197 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000109893955 853030278 /nfs/dbraw/zinc/03/02/78/853030278.db2.gz PULCTHVEHUEXKG-UHFFFAOYSA-N -1 1 417.513 4.066 20 0 HIADMM CC(C)(C)CC[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000110251785 853080493 /nfs/dbraw/zinc/08/04/93/853080493.db2.gz CSZBMSQMALNTEM-UHFFFAOYSA-N -1 1 417.138 4.065 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)cc1Cl ZINC000110682984 853137552 /nfs/dbraw/zinc/13/75/52/853137552.db2.gz LCHWRKBEPSATTA-UHFFFAOYSA-N -1 1 407.904 4.091 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)c3cccc(O)c3)c2)c1 ZINC000110736821 853146307 /nfs/dbraw/zinc/14/63/07/853146307.db2.gz IVWYUVDDNNATAA-KRWDZBQOSA-N -1 1 424.522 4.301 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2-n2cccn2)cc1 ZINC000111069901 853196936 /nfs/dbraw/zinc/19/69/36/853196936.db2.gz ORXPYPXYGWNYQZ-UHFFFAOYSA-N -1 1 404.499 4.131 20 0 HIADMM CC(C)CCSCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000115769946 853263702 /nfs/dbraw/zinc/26/37/02/853263702.db2.gz GAQHXHXOICXQFF-UHFFFAOYSA-N -1 1 410.536 4.344 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c4c[nH]nc43)cc2)cc1 ZINC000116119857 853284773 /nfs/dbraw/zinc/28/47/73/853284773.db2.gz GNNFGAOXDYRWNU-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2sccc2Br)c1Br ZINC000131986840 853372621 /nfs/dbraw/zinc/37/26/21/853372621.db2.gz LIETVDUJZYLDIL-UHFFFAOYSA-N -1 1 411.140 4.382 20 0 HIADMM CSCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000134858350 853374027 /nfs/dbraw/zinc/37/40/27/853374027.db2.gz KSUHLBSIIXQISM-ZETCQYMHSA-N -1 1 407.182 4.176 20 0 HIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000142079792 853487086 /nfs/dbraw/zinc/48/70/86/853487086.db2.gz BMCSHBIXGOLBSC-KRWDZBQOSA-N -1 1 414.918 4.330 20 0 HIADMM O=C(CCC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000143430314 853515002 /nfs/dbraw/zinc/51/50/02/853515002.db2.gz OWJALQPFTBDVPH-UHFFFAOYSA-N -1 1 408.479 4.089 20 0 HIADMM Cc1cnccc1[N-]S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000161639832 853646107 /nfs/dbraw/zinc/64/61/07/853646107.db2.gz MFAMDSFEINOMMY-UHFFFAOYSA-N -1 1 420.126 4.024 20 0 HIADMM CCOc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc(Cl)c1[O-] ZINC000215967741 853841303 /nfs/dbraw/zinc/84/13/03/853841303.db2.gz CQKMNFVDVAPGPS-UHFFFAOYSA-N -1 1 409.313 4.056 20 0 HIADMM Cc1nc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(Cl)cc1Cl ZINC000226510526 853881074 /nfs/dbraw/zinc/88/10/74/853881074.db2.gz LZRZVWLTDLZCBV-UHFFFAOYSA-N -1 1 414.083 4.399 20 0 HIADMM CC(C)CCN1Cc2cccc(NC(=O)CC3(C(=O)[O-])Cc4ccccc4C3)c2C1 ZINC000236721638 853915236 /nfs/dbraw/zinc/91/52/36/853915236.db2.gz RZJPTWIZZZRGEP-UHFFFAOYSA-N -1 1 406.526 4.247 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(Br)cc2F)c1 ZINC000248087468 854177564 /nfs/dbraw/zinc/17/75/64/854177564.db2.gz LFHZKHWQCQZZGO-UHFFFAOYSA-N -1 1 421.295 4.456 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4n[nH]cc4c3)cc2)cc1C ZINC000248135054 854181919 /nfs/dbraw/zinc/18/19/19/854181919.db2.gz CLEQJKXIOKVYMS-UHFFFAOYSA-N -1 1 420.494 4.233 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)cc1C(F)(F)F ZINC000261457465 854268926 /nfs/dbraw/zinc/26/89/26/854268926.db2.gz KQSGIZCSXLTARZ-UHFFFAOYSA-N -1 1 416.396 4.081 20 0 HIADMM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)nc2)n1 ZINC000301306040 854353412 /nfs/dbraw/zinc/35/34/12/854353412.db2.gz YNYHCCIWWOEKHR-UHFFFAOYSA-N -1 1 406.330 4.128 20 0 HIADMM Cc1nc(-c2ccc(NCCOc3ccc(C(F)(F)F)cc3)nc2)[n-]c(=O)c1C ZINC000301346913 854366616 /nfs/dbraw/zinc/36/66/16/854366616.db2.gz HNLTVTQXALTVJI-UHFFFAOYSA-N -1 1 404.392 4.371 20 0 HIADMM COc1ccccc1CC1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000301406306 854384681 /nfs/dbraw/zinc/38/46/81/854384681.db2.gz LZFCAKBLRHOQHE-UHFFFAOYSA-N -1 1 404.514 4.329 20 0 HIADMM Cc1nc(-c2ccc(NCCCOc3cccc4cccnc43)nc2)[n-]c(=O)c1C ZINC000301409576 854385366 /nfs/dbraw/zinc/38/53/66/854385366.db2.gz XFOFHDJTPOMFFA-UHFFFAOYSA-N -1 1 401.470 4.290 20 0 HIADMM Cc1cc2c(ncnc2NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)s1 ZINC000301874841 854482456 /nfs/dbraw/zinc/48/24/56/854482456.db2.gz RLBRZNKBMOWPDR-UHFFFAOYSA-N -1 1 410.524 4.413 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CCC(C)C)c2)cc1 ZINC000301996614 854511896 /nfs/dbraw/zinc/51/18/96/854511896.db2.gz MECYLDGCPGNTFH-INIZCTEOSA-N -1 1 404.532 4.051 20 0 HIADMM Clc1ccc(Cn2cc([N-]c3nn4cc(-c5cccnc5)nc4s3)cn2)cc1 ZINC000302211882 854550885 /nfs/dbraw/zinc/55/08/85/854550885.db2.gz YSGXIKYYRXGCMI-UHFFFAOYSA-N -1 1 407.890 4.495 20 0 HIADMM Cc1nc(-c2ccc(N[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nc2)[n-]c(=O)c1C ZINC000302513533 854579035 /nfs/dbraw/zinc/57/90/35/854579035.db2.gz UKJMJHVSYRZDMB-IAGOWNOFSA-N -1 1 413.522 4.109 20 0 HIADMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccccc2C(C)(C)C)C[C@@H](C)O1 ZINC000437319554 862585052 /nfs/dbraw/zinc/58/50/52/862585052.db2.gz ATUJPPCZLOKVKS-IAGOWNOFSA-N -1 1 402.560 4.399 20 0 HIADMM COc1ccc(N(Cc2ccccc2)C(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000302946623 854691667 /nfs/dbraw/zinc/69/16/67/854691667.db2.gz LLCYKRYWMKIPTE-UHFFFAOYSA-N -1 1 423.538 4.387 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1Br ZINC000437332408 862603258 /nfs/dbraw/zinc/60/32/58/862603258.db2.gz MRSRLJWCNNIHTF-IUCAKERBSA-N -1 1 406.289 4.158 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCOc4ccccc43)c2)c1 ZINC000303174862 854801026 /nfs/dbraw/zinc/80/10/26/854801026.db2.gz SFBTZZLFVBOGGN-UHFFFAOYSA-N -1 1 422.506 4.143 20 0 HIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](c2nccs2)c2ccccc2)cc1 ZINC000303238292 854831200 /nfs/dbraw/zinc/83/12/00/854831200.db2.gz ZVTPSRYRCVQOGI-SFHVURJKSA-N -1 1 421.551 4.278 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000303690101 855135860 /nfs/dbraw/zinc/13/58/60/855135860.db2.gz MKLKHINWKYLBFO-INIZCTEOSA-N -1 1 423.991 4.115 20 0 HIADMM Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)cc1 ZINC000303713166 855146533 /nfs/dbraw/zinc/14/65/33/855146533.db2.gz ZLDVMAYVUHVMPA-UHFFFAOYSA-N -1 1 422.550 4.385 20 0 HIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000303762809 855181857 /nfs/dbraw/zinc/18/18/57/855181857.db2.gz HVZOAYXRTWRAEP-CRAIPNDOSA-N -1 1 410.518 4.460 20 0 HIADMM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCN(Cc4ccccc4)CC3)n2)c1 ZINC000303912026 855284259 /nfs/dbraw/zinc/28/42/59/855284259.db2.gz MYQCQXLZFAYPLV-UHFFFAOYSA-N -1 1 418.541 4.049 20 0 HIADMM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000303914845 855287181 /nfs/dbraw/zinc/28/71/81/855287181.db2.gz NEBOBOJANFTIOC-HOTGVXAUSA-N -1 1 404.507 4.277 20 0 HIADMM CC(C)c1nc(C(=O)[N-]c2nnc(-c3ccsc3)s2)nn1-c1ccccc1F ZINC000303955747 855318634 /nfs/dbraw/zinc/31/86/34/855318634.db2.gz APHYIUVPSWSAAY-UHFFFAOYSA-N -1 1 414.491 4.362 20 0 HIADMM Cc1ccc2cccc(NC(=O)c3ccc(I)c([O-])c3)c2n1 ZINC000318707207 855384553 /nfs/dbraw/zinc/38/45/53/855384553.db2.gz PSQZOABCDBPWGX-UHFFFAOYSA-N -1 1 404.207 4.106 20 0 HIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000321476744 855390519 /nfs/dbraw/zinc/39/05/19/855390519.db2.gz ASNIJFOZMHNGIA-SECBINFHSA-N -1 1 419.684 4.050 20 0 HIADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000325299117 855402658 /nfs/dbraw/zinc/40/26/58/855402658.db2.gz NAVXNVGMPYHZKR-UHFFFAOYSA-N -1 1 417.256 4.222 20 0 HIADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)c(Cl)cc1Cl ZINC000326752436 855412074 /nfs/dbraw/zinc/41/20/74/855412074.db2.gz ITSJBKDVJUCBGJ-UHFFFAOYSA-N -1 1 412.197 4.094 20 0 HIADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000327226686 855415950 /nfs/dbraw/zinc/41/59/50/855415950.db2.gz AGTSRQUVVGOXHZ-FZQKWOKYSA-N -1 1 405.709 4.303 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(Br)c1)c1cccc(Br)c1 ZINC000387389856 855444950 /nfs/dbraw/zinc/44/49/50/855444950.db2.gz JCHDCIKPEDLDHS-UHFFFAOYSA-N -1 1 409.074 4.152 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1ccccc1C(F)(F)F ZINC000389237441 855450680 /nfs/dbraw/zinc/45/06/80/855450680.db2.gz YQONPUQTKHFCHT-UHFFFAOYSA-N -1 1 415.618 4.317 20 0 HIADMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000392322127 855464252 /nfs/dbraw/zinc/46/42/52/855464252.db2.gz NKONMCQTZORKJP-UHFFFAOYSA-N -1 1 421.219 4.053 20 0 HIADMM O=S(=O)([N-][C@@H]1CCSc2c(F)cccc21)c1sccc1Br ZINC000409860681 855692333 /nfs/dbraw/zinc/69/23/33/855692333.db2.gz HMQJLDPBMQXUID-LLVKDONJSA-N -1 1 408.339 4.165 20 0 HIADMM C[C@@H](CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000410204200 855861734 /nfs/dbraw/zinc/86/17/34/855861734.db2.gz CVEGVWBRYWEVQX-SFHVURJKSA-N -1 1 408.523 4.411 20 0 HIADMM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccc(Cl)c(F)c3Cl)nc21 ZINC000410320126 855926584 /nfs/dbraw/zinc/92/65/84/855926584.db2.gz ZNCIDXKEXPEHMC-UHFFFAOYSA-N -1 1 403.262 4.103 20 0 HIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cccc(Br)c1F ZINC000410379351 855962605 /nfs/dbraw/zinc/96/26/05/855962605.db2.gz FSIIHLDKPABUEV-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cccc(Br)c3F)cc21 ZINC000410403978 855977904 /nfs/dbraw/zinc/97/79/04/855977904.db2.gz YHLOZAWJXPWLGM-UHFFFAOYSA-N -1 1 418.671 4.171 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)C(C)(C)C)cc3)cc2C[C@H]1C ZINC000425967069 856021663 /nfs/dbraw/zinc/02/16/63/856021663.db2.gz NAGARDYNZGFIKM-CQSZACIVSA-N -1 1 414.527 4.014 20 0 HIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000425986535 856032410 /nfs/dbraw/zinc/03/24/10/856032410.db2.gz WNOIUJJVYQTCLB-UHFFFAOYSA-N -1 1 400.500 4.209 20 0 HIADMM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)c2)n1 ZINC000425997982 856038425 /nfs/dbraw/zinc/03/84/25/856038425.db2.gz FCLVCGLKCZCNMH-UHFFFAOYSA-N -1 1 424.448 4.071 20 0 HIADMM Cc1nc(CCCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cs1 ZINC000426174544 856154087 /nfs/dbraw/zinc/15/40/87/856154087.db2.gz NGXAKKFCBPJDMY-UHFFFAOYSA-N -1 1 415.540 4.214 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)nc3)cc2s1 ZINC000437408418 862766495 /nfs/dbraw/zinc/76/64/95/862766495.db2.gz INCXTSMTRCOUME-UHFFFAOYSA-N -1 1 416.572 4.390 20 0 HIADMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000426282299 856218253 /nfs/dbraw/zinc/21/82/53/856218253.db2.gz HGCLSNREDSBRBR-UHFFFAOYSA-N -1 1 411.874 4.393 20 0 HIADMM O=C([O-])[C@@H](Cc1ccccc1)NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000426694487 856416627 /nfs/dbraw/zinc/41/66/27/856416627.db2.gz IWZPYSVQAJGGIL-GOSISDBHSA-N -1 1 402.903 4.161 20 0 HIADMM O=C([O-])C[C@@H](NCc1csc(Br)c1)c1cnn(-c2ccccc2)c1 ZINC000426720220 856433157 /nfs/dbraw/zinc/43/31/57/856433157.db2.gz LIOKGUVYATXSEK-OAHLLOKOSA-N -1 1 406.305 4.002 20 0 HIADMM Cc1cc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)ccc1Br ZINC000426723659 856435363 /nfs/dbraw/zinc/43/53/63/856435363.db2.gz ZRAFQPGPWUCZBL-LJQANCHMSA-N -1 1 414.303 4.249 20 0 HIADMM CCc1ccc(-c2ccc(CN[C@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])o2)cc1 ZINC000426730137 856439557 /nfs/dbraw/zinc/43/95/57/856439557.db2.gz JSOXEJOFHWAUAS-OAQYLSRUSA-N -1 1 421.493 4.456 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1ccc2nc(C)ccc2c1)C(=O)[O-] ZINC000426735174 856443188 /nfs/dbraw/zinc/44/31/88/856443188.db2.gz SCPDSYUKNNEQHH-IBGZPJMESA-N -1 1 415.287 4.230 20 0 HIADMM COc1ccc(Br)cc1[C@H](NCc1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000426748009 856452493 /nfs/dbraw/zinc/45/24/93/856452493.db2.gz UECAYOZLXIOQRL-SFHVURJKSA-N -1 1 408.292 4.160 20 0 HIADMM COc1cc2c(cc1CN[C@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1)OCO2 ZINC000426789023 856479049 /nfs/dbraw/zinc/47/90/49/856479049.db2.gz RBBSIAGHNBRZKJ-OAHLLOKOSA-N -1 1 412.269 4.426 20 0 HIADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)cc2Br)cc1OC ZINC000426790764 856480023 /nfs/dbraw/zinc/48/00/23/856480023.db2.gz FPVFILCIGWKNGF-INIZCTEOSA-N -1 1 408.292 4.080 20 0 HIADMM COc1ccc(CN[C@H](C(=O)[O-])c2c(C)nn(-c3cccc(Cl)c3)c2C)cc1F ZINC000426790850 856480308 /nfs/dbraw/zinc/48/03/08/856480308.db2.gz GCDGEFLYJFKXNR-FQEVSTJZSA-N -1 1 417.868 4.206 20 0 HIADMM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1c(C)nn(-c2cccc(Cl)c2)c1C ZINC000426802844 856486724 /nfs/dbraw/zinc/48/67/24/856486724.db2.gz YDWVNZWENCSYPA-OAQYLSRUSA-N -1 1 413.905 4.375 20 0 HIADMM CCCSC[C@H](NCc1cnc(-c2ccc(Br)cc2)s1)C(=O)[O-] ZINC000426821459 856497429 /nfs/dbraw/zinc/49/74/29/856497429.db2.gz SUSXJFZBFPXIJW-AWEZNQCLSA-N -1 1 415.378 4.259 20 0 HIADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000437434675 862806490 /nfs/dbraw/zinc/80/64/90/862806490.db2.gz RMSBSHQVJVKFKP-UAPYVXQJSA-N -1 1 424.497 4.303 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H]4CCCC[C@@H]4C3)cc2)c1 ZINC000427183326 856697168 /nfs/dbraw/zinc/69/71/68/856697168.db2.gz VEZDMUIBBDLFIQ-WOJBJXKFSA-N -1 1 412.555 4.366 20 0 HIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4[nH]c([C@@H]5CCCO5)nc4c3)cc2s1 ZINC000427202723 856710393 /nfs/dbraw/zinc/71/03/93/856710393.db2.gz DFXLRUMDXOLYAN-KRWDZBQOSA-N -1 1 414.512 4.133 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC(C)(C)[C@H]2C2CC2)c1 ZINC000427258670 856740450 /nfs/dbraw/zinc/74/04/50/856740450.db2.gz UHJRYXHPSROMGP-OAQYLSRUSA-N -1 1 412.555 4.365 20 0 HIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1C ZINC000427268878 856744326 /nfs/dbraw/zinc/74/43/26/856744326.db2.gz ZVWRRQLMRBTPCN-UHFFFAOYSA-N -1 1 420.556 4.267 20 0 HIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4nc(C)sc4c3)c2)n1 ZINC000427271945 856745668 /nfs/dbraw/zinc/74/56/68/856745668.db2.gz BQHHOYAFFWMSIZ-UHFFFAOYSA-N -1 1 414.512 4.326 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1Br ZINC000427292833 856756510 /nfs/dbraw/zinc/75/65/10/856756510.db2.gz VCKRLFZANMRHSO-UHFFFAOYSA-N -1 1 423.288 4.222 20 0 HIADMM Cc1c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cccc1-c1ncco1 ZINC000427320348 856770566 /nfs/dbraw/zinc/77/05/66/856770566.db2.gz LSBIRGPTVNTKAM-UHFFFAOYSA-N -1 1 405.435 4.170 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H]4CCCC[C@@H]4C3)cc2)ccc1F ZINC000427361265 856794488 /nfs/dbraw/zinc/79/44/88/856794488.db2.gz DPUOFYQWIABQLG-HDICACEKSA-N -1 1 416.518 4.197 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccncc4)c(C)c3)cc2C[C@@H]1C ZINC000427628466 856892313 /nfs/dbraw/zinc/89/23/13/856892313.db2.gz HTKBUBYLPBXAGX-INIZCTEOSA-N -1 1 421.522 4.155 20 0 HIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1 ZINC000427642156 856895052 /nfs/dbraw/zinc/89/50/52/856895052.db2.gz NQZLIEJXAYUHGK-UHFFFAOYSA-N -1 1 423.538 4.340 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1Cl ZINC000427649651 856896974 /nfs/dbraw/zinc/89/69/74/856896974.db2.gz ZVUHBQFUQWODMG-UHFFFAOYSA-N -1 1 415.902 4.470 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCS[C@@H](C)CC3)cc2)c1 ZINC000427921552 857008695 /nfs/dbraw/zinc/00/86/95/857008695.db2.gz IEYOVTZIFPVWQU-KRWDZBQOSA-N -1 1 418.584 4.072 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cnn([C@@H](C)C4CC4)c3)c2)cc1 ZINC000428215499 857113602 /nfs/dbraw/zinc/11/36/02/857113602.db2.gz BSYHPCKJMBQESS-INIZCTEOSA-N -1 1 424.526 4.216 20 0 HIADMM Cc1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000428536553 857249022 /nfs/dbraw/zinc/24/90/22/857249022.db2.gz JOAIHFMKCIRHBH-HNAYVOBHSA-N -1 1 418.946 4.464 20 0 HIADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)[nH]n1 ZINC000430055048 858014518 /nfs/dbraw/zinc/01/45/18/858014518.db2.gz BPWNTYGHAILKSM-UHFFFAOYSA-N -1 1 406.733 4.215 20 0 HIADMM C[C@H]1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000430452657 858171856 /nfs/dbraw/zinc/17/18/56/858171856.db2.gz XZXKXSMUUCVXDW-KSSFIOAISA-N -1 1 406.935 4.401 20 0 HIADMM C[C@@H]1CC[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000430455522 858173859 /nfs/dbraw/zinc/17/38/59/858173859.db2.gz MDXFVWQUBNSRPX-CJNGLKHVSA-N -1 1 408.470 4.026 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)cc2)c1C ZINC000430470168 858182033 /nfs/dbraw/zinc/18/20/33/858182033.db2.gz RGJGGRFIFZWXKY-HNAYVOBHSA-N -1 1 400.544 4.365 20 0 HIADMM C[C@H]1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000430480731 858189262 /nfs/dbraw/zinc/18/92/62/858189262.db2.gz ZGUASCLWWMJLKU-KSSFIOAISA-N -1 1 406.935 4.401 20 0 HIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1c(Cl)cc(F)cc1Br ZINC000431151351 858472165 /nfs/dbraw/zinc/47/21/65/858472165.db2.gz JSGUJRCXJQDORX-UHFFFAOYSA-N -1 1 418.593 4.460 20 0 HIADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(Br)s2)c1Cl ZINC000431180132 858490356 /nfs/dbraw/zinc/49/03/56/858490356.db2.gz OVOWQONQDCZZCK-UHFFFAOYSA-N -1 1 424.725 4.060 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1(Sc2ccc(C)cc2)CCCC1 ZINC000431416592 858603839 /nfs/dbraw/zinc/60/38/39/858603839.db2.gz FMOXWQWQAACMCB-UHFFFAOYSA-N -1 1 403.573 4.356 20 0 HIADMM CC(C)CCO[C@@H](C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431448023 858620897 /nfs/dbraw/zinc/62/08/97/858620897.db2.gz JUTWGXWWWBWZNT-VIFPVBQESA-N -1 1 409.118 4.307 20 0 HIADMM CCC[C@@H]1C[C@H](C(=O)Nc2cc([O-])c(Br)cc2Br)CCO1 ZINC000431448642 858621033 /nfs/dbraw/zinc/62/10/33/858621033.db2.gz ZCHUGSNJDLAVDV-NXEZZACHSA-N -1 1 421.129 4.451 20 0 HIADMM C[C@@H]1CC[C@H](CCC(=O)Nc2cc([O-])c(Br)cc2Br)O1 ZINC000431455249 858625573 /nfs/dbraw/zinc/62/55/73/858625573.db2.gz AUCHCYUMURQLDI-RKDXNWHRSA-N -1 1 407.102 4.203 20 0 HIADMM COc1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c(F)c1 ZINC000431456837 858625612 /nfs/dbraw/zinc/62/56/12/858625612.db2.gz KMYWOGVSPSYHNV-UHFFFAOYSA-N -1 1 419.044 4.317 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000431479178 858637105 /nfs/dbraw/zinc/63/71/05/858637105.db2.gz URIUHGJDTUBLLN-UHFFFAOYSA-N -1 1 424.507 4.191 20 0 HIADMM COc1cccc2c1[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)CC2 ZINC000431672513 858728315 /nfs/dbraw/zinc/72/83/15/858728315.db2.gz HHWWHGZEKXNFKW-HXUWFJFHSA-N -1 1 422.506 4.165 20 0 HIADMM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000432055178 858954872 /nfs/dbraw/zinc/95/48/72/858954872.db2.gz YMESTONGLKUBOB-YLJYHZDGSA-N -1 1 416.543 4.248 20 0 HIADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)c1 ZINC000432068003 858964863 /nfs/dbraw/zinc/96/48/63/858964863.db2.gz TUUAZIUIJNBQLO-UHFFFAOYSA-N -1 1 403.422 4.345 20 0 HIADMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1C ZINC000432184806 859036645 /nfs/dbraw/zinc/03/66/45/859036645.db2.gz ICDJPUWOQJBYMX-UHFFFAOYSA-N -1 1 414.527 4.343 20 0 HIADMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3csc4ccc(Cl)cc43)cc2N1 ZINC000432200150 859043369 /nfs/dbraw/zinc/04/33/69/859043369.db2.gz FJIDHUGSOMVZQP-UHFFFAOYSA-N -1 1 410.879 4.379 20 0 HIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)ccc2o1 ZINC000432373771 859128866 /nfs/dbraw/zinc/12/88/66/859128866.db2.gz ACLIPLBXHFVKIF-UHFFFAOYSA-N -1 1 400.378 4.102 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC4(CCC4)C[C@H]3C)cc2)ccc1F ZINC000432606184 859252194 /nfs/dbraw/zinc/25/21/94/859252194.db2.gz AKKBFENIEFNTMZ-MRXNPFEDSA-N -1 1 416.518 4.340 20 0 HIADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000432617755 859256852 /nfs/dbraw/zinc/25/68/52/859256852.db2.gz ASSLSLUCZGACMU-OAHLLOKOSA-N -1 1 402.491 4.031 20 0 HIADMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)n1 ZINC000432673609 859284895 /nfs/dbraw/zinc/28/48/95/859284895.db2.gz XLMOTWMUWIYCML-UHFFFAOYSA-N -1 1 417.874 4.373 20 0 HIADMM COCCn1ccc2ccc([N-]S(=O)(=O)c3cc(Cl)c(OC)cc3C)cc21 ZINC000432769900 859350102 /nfs/dbraw/zinc/35/01/02/859350102.db2.gz DVQRNIIVDLSITO-UHFFFAOYSA-N -1 1 408.907 4.059 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)cc1C(C)C ZINC000432769558 859350686 /nfs/dbraw/zinc/35/06/86/859350686.db2.gz PBUSHSBHBZMTJC-UHFFFAOYSA-N -1 1 404.532 4.066 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)c(=O)[n-]1 ZINC000432861281 859393974 /nfs/dbraw/zinc/39/39/74/859393974.db2.gz WBOPLXMPWXKRMY-KRWDZBQOSA-N -1 1 407.486 4.177 20 0 HIADMM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000433370024 859661749 /nfs/dbraw/zinc/66/17/49/859661749.db2.gz BUEKVWLNBAYGGG-OAQYLSRUSA-N -1 1 424.570 4.056 20 0 HIADMM O=S(=O)([N-]C[C@H]1CCCN(c2ccccc2)C1)c1cc(Cl)sc1Cl ZINC000433452617 859709363 /nfs/dbraw/zinc/70/93/63/859709363.db2.gz HJJYMYCFHDACPG-GFCCVEGCSA-N -1 1 405.372 4.250 20 0 HIADMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2CS(=O)(=O)c2ccccc2)c1 ZINC000433502624 859739188 /nfs/dbraw/zinc/73/91/88/859739188.db2.gz QKFZBQCYCZERIP-UHFFFAOYSA-N -1 1 415.536 4.024 20 0 HIADMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1 ZINC000433529246 859757675 /nfs/dbraw/zinc/75/76/75/859757675.db2.gz IASYHDMAFLGCAF-UHFFFAOYSA-N -1 1 415.323 4.369 20 0 HIADMM O=S(=O)([N-][C@H]1CSc2ccccc21)c1cc(Br)sc1Cl ZINC000433661838 859828333 /nfs/dbraw/zinc/82/83/33/859828333.db2.gz WMXBYXBJNPKSPA-QMMMGPOBSA-N -1 1 410.767 4.289 20 0 HIADMM CSC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCC1 ZINC000433691699 859839296 /nfs/dbraw/zinc/83/92/96/859839296.db2.gz VLVDUFJZQVKLIT-UHFFFAOYSA-N -1 1 424.975 4.156 20 0 HIADMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(I)c1 ZINC000434182819 860174435 /nfs/dbraw/zinc/17/44/35/860174435.db2.gz YEUZIWJGQFGEAC-UHFFFAOYSA-N -1 1 418.618 4.303 20 0 HIADMM CCSCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000434281727 860249042 /nfs/dbraw/zinc/24/90/42/860249042.db2.gz RXRIFKQQQSAWQA-HNNXBMFYSA-N -1 1 424.563 4.230 20 0 HIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 ZINC000467748504 881555303 /nfs/dbraw/zinc/55/53/03/881555303.db2.gz YUGOVHKDMULCHG-GUYCJALGSA-N -1 1 407.488 4.182 20 0 HIADMM O=C(NCC1(Cc2ccccc2)CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000435379469 860776275 /nfs/dbraw/zinc/77/62/75/860776275.db2.gz JGGKTAIQOSJXJX-UHFFFAOYSA-N -1 1 420.534 4.240 20 0 HIADMM CS[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000435388920 860781379 /nfs/dbraw/zinc/78/13/79/860781379.db2.gz IBBVWNRPBQUADB-SFHVURJKSA-N -1 1 418.584 4.154 20 0 HIADMM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1c(Cl)cc(F)cc1Cl ZINC000435424713 860795889 /nfs/dbraw/zinc/79/58/89/860795889.db2.gz XBFUFHSVSYPILG-UHFFFAOYSA-N -1 1 418.302 4.130 20 0 HIADMM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435437166 860799206 /nfs/dbraw/zinc/79/92/06/860799206.db2.gz IOTBJBIJBZQMPX-QFYYESIMSA-N -1 1 422.305 4.196 20 0 HIADMM O=S(=O)([N-][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc(Br)o1 ZINC000435604683 860907629 /nfs/dbraw/zinc/90/76/29/860907629.db2.gz FBPAQYKLMZMITF-UMSPYCQHSA-N -1 1 424.238 4.285 20 0 HIADMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)co1 ZINC000438059642 863431961 /nfs/dbraw/zinc/43/19/61/863431961.db2.gz ZRVIWGBNMGQUPT-UHFFFAOYSA-N -1 1 408.838 4.434 20 0 HIADMM CCc1ncsc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000438231930 863671253 /nfs/dbraw/zinc/67/12/53/863671253.db2.gz CZQISKKDOKKYSE-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM CCc1ncsc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000438243040 863699535 /nfs/dbraw/zinc/69/95/35/863699535.db2.gz GLYBUOHZUPDTFZ-UHFFFAOYSA-N -1 1 423.466 4.037 20 0 HIADMM CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000438606651 864031862 /nfs/dbraw/zinc/03/18/62/864031862.db2.gz LOOUUQPVXXEHMF-KRWDZBQOSA-N -1 1 414.449 4.194 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438689589 864156128 /nfs/dbraw/zinc/15/61/28/864156128.db2.gz WJZPMPBGMRVDRV-TZIWHRDSSA-N -1 1 416.525 4.013 20 0 HIADMM O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccc(Br)c(F)c1 ZINC000438751913 864241873 /nfs/dbraw/zinc/24/18/73/864241873.db2.gz DMEYGNNZJWYXIS-UHFFFAOYSA-N -1 1 412.202 4.494 20 0 HIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3F)cc2)c(F)c1 ZINC000438753601 864244976 /nfs/dbraw/zinc/24/49/76/864244976.db2.gz AUXVZRZKDPIGSE-UHFFFAOYSA-N -1 1 419.405 4.043 20 0 HIADMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1)C(C)C ZINC000438764558 864258508 /nfs/dbraw/zinc/25/85/08/864258508.db2.gz FRZWEMDXYGDWRX-UHFFFAOYSA-N -1 1 416.543 4.083 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCSCC1 ZINC000438767360 864262261 /nfs/dbraw/zinc/26/22/61/864262261.db2.gz WAPDPCFGMIOPEK-UHFFFAOYSA-N -1 1 400.928 4.142 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1OC(F)F ZINC000438770951 864266206 /nfs/dbraw/zinc/26/62/06/864266206.db2.gz JEDWFBJVEBDVHJ-UHFFFAOYSA-N -1 1 410.211 4.299 20 0 HIADMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2s1 ZINC000438772644 864268161 /nfs/dbraw/zinc/26/81/61/864268161.db2.gz FRERENNQNDCVPY-UHFFFAOYSA-N -1 1 403.485 4.241 20 0 HIADMM O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1c(F)ccc([O-])c1F ZINC000438773917 864269895 /nfs/dbraw/zinc/26/98/95/864269895.db2.gz NHFQRNQEESLJAG-QGZVFWFLSA-N -1 1 414.477 4.261 20 0 HIADMM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(Br)c2)n1 ZINC000438784923 864278545 /nfs/dbraw/zinc/27/85/45/864278545.db2.gz JITOKLLLNPKOIP-UHFFFAOYSA-N -1 1 424.295 4.192 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000438783728 864278582 /nfs/dbraw/zinc/27/85/82/864278582.db2.gz DVKIKBXYRAOXJK-UHFFFAOYSA-N -1 1 415.284 4.128 20 0 HIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccc(F)c(Br)c1 ZINC000438792348 864284580 /nfs/dbraw/zinc/28/45/80/864284580.db2.gz MJPRVFCGXQLRGO-UHFFFAOYSA-N -1 1 414.296 4.316 20 0 HIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000438791239 864285090 /nfs/dbraw/zinc/28/50/90/864285090.db2.gz JWDPWFJMTVWXQQ-UHFFFAOYSA-N -1 1 401.406 4.267 20 0 HIADMM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438795367 864287583 /nfs/dbraw/zinc/28/75/83/864287583.db2.gz KIBRRJXIMOYADA-UHFFFAOYSA-N -1 1 404.507 4.115 20 0 HIADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1 ZINC000438798788 864290180 /nfs/dbraw/zinc/29/01/80/864290180.db2.gz FAKOAHWCYZBWCX-UHFFFAOYSA-N -1 1 417.556 4.144 20 0 HIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000438805657 864296123 /nfs/dbraw/zinc/29/61/23/864296123.db2.gz LZNZNFGHALUWPW-UHFFFAOYSA-N -1 1 416.449 4.004 20 0 HIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)cc2s1 ZINC000438816418 864308890 /nfs/dbraw/zinc/30/88/90/864308890.db2.gz WCJQTWQMJYJXNX-UHFFFAOYSA-N -1 1 401.282 4.307 20 0 HIADMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000438845427 864341074 /nfs/dbraw/zinc/34/10/74/864341074.db2.gz BJJQJILEVWFIDS-UHFFFAOYSA-N -1 1 413.326 4.242 20 0 HIADMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000438849081 864343927 /nfs/dbraw/zinc/34/39/27/864343927.db2.gz CZNXUOQMMGSFEH-UHFFFAOYSA-N -1 1 413.326 4.242 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)C3(C)CC3)cc2)cc1C ZINC000439018827 864469968 /nfs/dbraw/zinc/46/99/68/864469968.db2.gz FEVHPPDYXUONNE-KRWDZBQOSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)C3(C)CC3)ccc2C)c1 ZINC000439028686 864483570 /nfs/dbraw/zinc/48/35/70/864483570.db2.gz RXCJBMQRVVWHCP-KRWDZBQOSA-N -1 1 400.544 4.365 20 0 HIADMM COc1cc(NC(=O)C(C)(C)c2ccc(C(C)(C)C)cc2)ccc1[N-]S(C)(=O)=O ZINC000439046227 864498276 /nfs/dbraw/zinc/49/82/76/864498276.db2.gz NQARJNUVUJIPDR-UHFFFAOYSA-N -1 1 418.559 4.281 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H](CCCc3ccccc3)C2)c(=O)[n-]1 ZINC000439178330 864606249 /nfs/dbraw/zinc/60/62/49/864606249.db2.gz OCUAPGMAJGRAPJ-IBGZPJMESA-N -1 1 413.587 4.407 20 0 HIADMM C[C@H](Sc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000439568722 864892076 /nfs/dbraw/zinc/89/20/76/864892076.db2.gz JFLHTWZIPJZVQE-HNNXBMFYSA-N -1 1 412.536 4.440 20 0 HIADMM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000439574791 864896322 /nfs/dbraw/zinc/89/63/22/864896322.db2.gz UOTFAUWAZDIXQL-UHFFFAOYSA-N -1 1 407.451 4.189 20 0 HIADMM O=C(NCc1cccs1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000439577199 864898235 /nfs/dbraw/zinc/89/82/35/864898235.db2.gz VJLLAMJQOYWLNO-UHFFFAOYSA-N -1 1 406.916 4.132 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)cc2)c1 ZINC000440404108 865695826 /nfs/dbraw/zinc/69/58/26/865695826.db2.gz HGXHXCKSYZYUEL-WMZOPIPTSA-N -1 1 400.544 4.365 20 0 HIADMM COc1ccccc1[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1Cl ZINC000440589615 865827535 /nfs/dbraw/zinc/82/75/35/865827535.db2.gz UKRKZFRVEBYFMJ-HXUWFJFHSA-N -1 1 419.868 4.105 20 0 HIADMM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(F)ccc1Nc1ccc(F)cc1F ZINC000440823533 865939532 /nfs/dbraw/zinc/93/95/32/865939532.db2.gz DRZDJHHYQGLIPG-AWEZNQCLSA-N -1 1 400.422 4.158 20 0 HIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)c(=O)[n-]1 ZINC000468171467 882048338 /nfs/dbraw/zinc/04/83/38/882048338.db2.gz YYDFWQFLSSBFBY-HNNXBMFYSA-N -1 1 414.575 4.471 20 0 HIADMM COc1cccc(Oc2ccc(CNC(=O)c3cc(Cl)c([O-])c(OC)c3)cn2)c1 ZINC000442728409 867652999 /nfs/dbraw/zinc/65/29/99/867652999.db2.gz FDACYKJSRYEJGZ-UHFFFAOYSA-N -1 1 414.845 4.180 20 0 HIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(C)(C)C)cc2)cc1 ZINC000442832715 867692074 /nfs/dbraw/zinc/69/20/74/867692074.db2.gz FNWKJFYMDBLGJS-UHFFFAOYSA-N -1 1 409.573 4.357 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2oc(SCCC3(O)CC3)nc2c1 ZINC000442912664 867736559 /nfs/dbraw/zinc/73/65/59/867736559.db2.gz FGTGSFJXKOVPCY-UHFFFAOYSA-N -1 1 424.931 4.289 20 0 HIADMM COc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc(Cl)c1[O-] ZINC000442957565 867763899 /nfs/dbraw/zinc/76/38/99/867763899.db2.gz OOCVTSMDUAUJCI-INIZCTEOSA-N -1 1 400.233 4.060 20 0 HIADMM COc1cc(C(=O)NCC2(c3cccc(Br)c3)CC2)cc(Cl)c1[O-] ZINC000442974042 867773129 /nfs/dbraw/zinc/77/31/29/867773129.db2.gz GREHGYFOIJEIGD-UHFFFAOYSA-N -1 1 410.695 4.278 20 0 HIADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000443011519 867791390 /nfs/dbraw/zinc/79/13/90/867791390.db2.gz FCLBSTWAXKRIMS-CQSZACIVSA-N -1 1 421.824 4.099 20 0 HIADMM CCOc1cc(Br)ccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443051307 867803626 /nfs/dbraw/zinc/80/36/26/867803626.db2.gz RLEFYIUEWVPDEB-UHFFFAOYSA-N -1 1 400.656 4.468 20 0 HIADMM CCOc1cc(-c2nc([C@@H](C)CNC(=O)c3ccccc3)no2)cc(Cl)c1[O-] ZINC000443205473 867874781 /nfs/dbraw/zinc/87/47/81/867874781.db2.gz SPAPIHBJHBTLHM-LBPRGKRZSA-N -1 1 401.850 4.028 20 0 HIADMM COc1cc(C(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)cc(Cl)c1[O-] ZINC000443290216 867892077 /nfs/dbraw/zinc/89/20/77/867892077.db2.gz XGXAJOJEBGPNMF-UHFFFAOYSA-N -1 1 411.889 4.304 20 0 HIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)c1 ZINC000443408742 867990407 /nfs/dbraw/zinc/99/04/07/867990407.db2.gz LOYQOXCSYVSZRV-UHFFFAOYSA-N -1 1 422.506 4.089 20 0 HIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000443416808 868000011 /nfs/dbraw/zinc/00/00/11/868000011.db2.gz UVVBEHSDZNUAES-UHFFFAOYSA-N -1 1 416.528 4.061 20 0 HIADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cc1 ZINC000443457629 868047505 /nfs/dbraw/zinc/04/75/05/868047505.db2.gz ZXTLARDUZLQRIN-UHFFFAOYSA-N -1 1 417.712 4.252 20 0 HIADMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1OC ZINC000443464244 868053455 /nfs/dbraw/zinc/05/34/55/868053455.db2.gz DNCBJKVOSKZHOZ-UHFFFAOYSA-N -1 1 413.776 4.316 20 0 HIADMM Cc1cc(S(=O)(=O)Nc2cccc3ccsc32)ccc1OCCCC(=O)[O-] ZINC000443464810 868054732 /nfs/dbraw/zinc/05/47/32/868054732.db2.gz FYRQXCXTVKIXDU-UHFFFAOYSA-N -1 1 405.497 4.254 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N[C@H](C)c2ccccc2)cc1C(N)=O ZINC000443527555 868084891 /nfs/dbraw/zinc/08/48/91/868084891.db2.gz HDGZOCDRJDKXMV-MRXNPFEDSA-N -1 1 409.511 4.068 20 0 HIADMM CC[C@@]1(C)Oc2ccc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])cc2O1 ZINC000443555718 868111014 /nfs/dbraw/zinc/11/10/14/868111014.db2.gz CUUIFFFVQQAUBB-QFIPXVFZSA-N -1 1 423.425 4.091 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000443966889 868499230 /nfs/dbraw/zinc/49/92/30/868499230.db2.gz OHRJOSPDTLZICC-JOCHJYFZSA-N -1 1 416.525 4.121 20 0 HIADMM CCC(C)(C)c1ccc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000443972207 868502060 /nfs/dbraw/zinc/50/20/60/868502060.db2.gz MURPDVRVLXZGSV-UHFFFAOYSA-N -1 1 404.514 4.099 20 0 HIADMM COc1ccc(NC(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)cc1[N-]S(C)(=O)=O ZINC000444015946 868540106 /nfs/dbraw/zinc/54/01/06/868540106.db2.gz BROYETYJFDWWNL-LSDHHAIUSA-N -1 1 411.568 4.183 20 0 HIADMM CC(C)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000444353024 868781965 /nfs/dbraw/zinc/78/19/65/868781965.db2.gz POZVSRQAHFCACX-KRWDZBQOSA-N -1 1 404.507 4.135 20 0 HIADMM Cn1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c(-c2ccccc2)n1 ZINC000444374936 868800417 /nfs/dbraw/zinc/80/04/17/868800417.db2.gz NZVVGNBMFUHMMS-UHFFFAOYSA-N -1 1 418.497 4.108 20 0 HIADMM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000444660680 868939070 /nfs/dbraw/zinc/93/90/70/868939070.db2.gz KGGLIJMZDQHOKH-SFHVURJKSA-N -1 1 404.555 4.074 20 0 HIADMM Cc1nc(-c2ccc(N3CCn4c(cc5c4cccc5Cl)C3)nc2)[n-]c(=O)c1C ZINC000444880744 869075235 /nfs/dbraw/zinc/07/52/35/869075235.db2.gz XKTJNHOODDFNJB-UHFFFAOYSA-N -1 1 405.889 4.489 20 0 HIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000468346667 882282858 /nfs/dbraw/zinc/28/28/58/882282858.db2.gz BQTSEDYNODQSHW-UHFFFAOYSA-N -1 1 409.573 4.324 20 0 HIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)C2CCOCC2)c1 ZINC000468349528 882287138 /nfs/dbraw/zinc/28/71/38/882287138.db2.gz NZYXQUHTXDRSHZ-HHHXNRCGSA-N -1 1 421.584 4.039 20 0 HIADMM O=C1NCCN1c1cccc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)c1 ZINC000445293586 869344851 /nfs/dbraw/zinc/34/48/51/869344851.db2.gz IBMAAGASXLCXNH-UHFFFAOYSA-N -1 1 414.421 4.431 20 0 HIADMM CC[C@H](C)n1nc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1C ZINC000445389937 869475620 /nfs/dbraw/zinc/47/56/20/869475620.db2.gz GWPDHAYAYDVYBR-VIFPVBQESA-N -1 1 407.268 4.356 20 0 HIADMM COc1cc(-c2noc(CCc3c[nH]c4ccccc34)n2)cc(Br)c1[O-] ZINC000445396029 869481282 /nfs/dbraw/zinc/48/12/82/869481282.db2.gz ZDHQMRGRXUAJFG-UHFFFAOYSA-N -1 1 414.259 4.480 20 0 HIADMM COc1cc(-c2noc([C@H](C)Sc3ccccn3)n2)cc(Br)c1[O-] ZINC000445396353 869481488 /nfs/dbraw/zinc/48/14/88/869481488.db2.gz WZNWFLHHNRNLRW-VIFPVBQESA-N -1 1 408.277 4.462 20 0 HIADMM COc1ccccc1/C=C\c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445396035 869481723 /nfs/dbraw/zinc/48/17/23/869481723.db2.gz ZFGFNEDNCHKWTA-FPLPWBNLSA-N -1 1 403.232 4.392 20 0 HIADMM COc1cc(-c2noc(CCCOc3cccc(F)c3)n2)cc(Br)c1[O-] ZINC000445397587 869482934 /nfs/dbraw/zinc/48/29/34/869482934.db2.gz JSKXDJHAUHZVAO-UHFFFAOYSA-N -1 1 423.238 4.364 20 0 HIADMM COc1ccccc1C1(c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)CC1 ZINC000445403662 869488280 /nfs/dbraw/zinc/48/82/80/869488280.db2.gz OFPPCXRQTFUAFY-UHFFFAOYSA-N -1 1 417.259 4.302 20 0 HIADMM CCOc1cc(-c2noc(C3=Cc4cc(OC)ccc4OC3)n2)cc(Cl)c1[O-] ZINC000445404908 869489295 /nfs/dbraw/zinc/48/92/95/869489295.db2.gz DFVLXMLLBQWYTM-UHFFFAOYSA-N -1 1 400.818 4.436 20 0 HIADMM CCOc1cc(-c2noc(-c3ccnc(N4CC[C@@H](C)C4)c3)n2)cc(Cl)c1[O-] ZINC000445404407 869489399 /nfs/dbraw/zinc/48/93/99/869489399.db2.gz BVPCLLAOPZIYRG-GFCCVEGCSA-N -1 1 400.866 4.403 20 0 HIADMM CCOc1cc(-c2noc(CNC(=O)Nc3cccc(C)c3)n2)cc(Cl)c1[O-] ZINC000445408254 869491979 /nfs/dbraw/zinc/49/19/79/869491979.db2.gz BRBWPPXDXJPSHK-UHFFFAOYSA-N -1 1 402.838 4.124 20 0 HIADMM CCOc1cc(-c2noc(CCc3ccc(C(=O)OC)cc3)n2)cc(Cl)c1[O-] ZINC000445411740 869494654 /nfs/dbraw/zinc/49/46/54/869494654.db2.gz KGRGPJHBTXFOQQ-UHFFFAOYSA-N -1 1 402.834 4.066 20 0 HIADMM CCOc1cc(-c2noc(CCc3nnc(-c4ccsc4)o3)n2)cc(Cl)c1[O-] ZINC000445412163 869495395 /nfs/dbraw/zinc/49/53/95/869495395.db2.gz RIKFYCVZFSZJSP-UHFFFAOYSA-N -1 1 418.862 4.391 20 0 HIADMM CCOc1cc(-c2noc([C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)cc(Cl)c1[O-] ZINC000445413189 869495575 /nfs/dbraw/zinc/49/55/75/869495575.db2.gz RNVZAKYZYUSODR-LBPRGKRZSA-N -1 1 407.898 4.246 20 0 HIADMM CCOc1cc(-c2noc(-c3c[nH]c(=O)c(Br)c3)n2)cc(Cl)c1[O-] ZINC000445421507 869505098 /nfs/dbraw/zinc/50/50/98/869505098.db2.gz HIALXICZRIYBCX-UHFFFAOYSA-N -1 1 412.627 4.024 20 0 HIADMM COc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CC1=O ZINC000445443218 869524930 /nfs/dbraw/zinc/52/49/30/869524930.db2.gz BLXZTMFYTVIGAB-JTQLQIEISA-N -1 1 420.252 4.278 20 0 HIADMM Cc1ncsc1-c1nc2ccccc2n1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445455460 869533242 /nfs/dbraw/zinc/53/32/42/869533242.db2.gz KNVRXYICTREEIK-UHFFFAOYSA-N -1 1 407.430 4.411 20 0 HIADMM O=C(N[C@H](Cc1nc(-c2ccc([O-])cc2F)no1)c1ccccc1)c1ccccc1 ZINC000445456374 869534555 /nfs/dbraw/zinc/53/45/55/869534555.db2.gz OAWOBVNAAWIKDS-HXUWFJFHSA-N -1 1 403.413 4.295 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(C(C)(C)c2ccccc2)no1 ZINC000445471764 869545171 /nfs/dbraw/zinc/54/51/71/869545171.db2.gz NSQDRNLRTAKOAX-UHFFFAOYSA-N -1 1 401.470 4.047 20 0 HIADMM O=C1[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000445473854 869546498 /nfs/dbraw/zinc/54/64/98/869546498.db2.gz OHXLIGVNTYMOMI-LLVKDONJSA-N -1 1 408.216 4.409 20 0 HIADMM [O-]c1ccc(-c2noc(CSc3nncn3-c3cccc(Cl)c3)n2)cc1F ZINC000445478857 869551358 /nfs/dbraw/zinc/55/13/58/869551358.db2.gz IHRXMABTZBGIMV-UHFFFAOYSA-N -1 1 403.826 4.108 20 0 HIADMM O=C(Nc1nc(Cc2nc(-c3ccc([O-])c(F)c3)no2)cs1)c1ccccc1F ZINC000445478344 869551520 /nfs/dbraw/zinc/55/15/20/869551520.db2.gz GPVDXBLGDFYFNN-UHFFFAOYSA-N -1 1 414.393 4.020 20 0 HIADMM Cc1sc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1-c1ccc(F)cc1 ZINC000445996095 869959636 /nfs/dbraw/zinc/95/96/36/869959636.db2.gz OMJGIBSGZBJZEJ-UHFFFAOYSA-N -1 1 410.474 4.158 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2F)C2CCCC2)c(=O)[n-]1 ZINC000446439016 870358791 /nfs/dbraw/zinc/35/87/91/870358791.db2.gz UFKNYGPVCCGDTN-LJQANCHMSA-N -1 1 403.523 4.332 20 0 HIADMM CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cc1Cl ZINC000446626628 870531424 /nfs/dbraw/zinc/53/14/24/870531424.db2.gz VMFKUDUZYHYCOS-UHFFFAOYSA-N -1 1 415.920 4.401 20 0 HIADMM CCC1(CC)CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC000446693758 870609681 /nfs/dbraw/zinc/60/96/81/870609681.db2.gz ZDJNEJPXLWVXTJ-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000446871619 870791903 /nfs/dbraw/zinc/79/19/03/870791903.db2.gz IDSZYQNPOARUGD-HSZRJFAPSA-N -1 1 410.493 4.171 20 0 HIADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1-c1cccs1 ZINC000446956225 870861318 /nfs/dbraw/zinc/86/13/18/870861318.db2.gz GZTJRXWAWPAMBE-UHFFFAOYSA-N -1 1 424.507 4.220 20 0 HIADMM COc1ccsc1S(=O)(=O)[N-]c1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000447010906 870890254 /nfs/dbraw/zinc/89/02/54/870890254.db2.gz NINHAASUYKFTJA-UHFFFAOYSA-N -1 1 412.496 4.010 20 0 HIADMM COc1ccsc1S(=O)(=O)[N-]c1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000447010906 870890257 /nfs/dbraw/zinc/89/02/57/870890257.db2.gz NINHAASUYKFTJA-UHFFFAOYSA-N -1 1 412.496 4.010 20 0 HIADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000447069787 870948656 /nfs/dbraw/zinc/94/86/56/870948656.db2.gz XIAAWZMDOLJELI-CYBMUJFWSA-N -1 1 409.267 4.008 20 0 HIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000447261803 871141735 /nfs/dbraw/zinc/14/17/35/871141735.db2.gz AVSWVHFWRLJCDB-UHFFFAOYSA-N -1 1 401.341 4.004 20 0 HIADMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1Cl)C(C)C ZINC000447267713 871151945 /nfs/dbraw/zinc/15/19/45/871151945.db2.gz PQUSBLFAEWXRLT-UHFFFAOYSA-N -1 1 412.914 4.459 20 0 HIADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000447270771 871158981 /nfs/dbraw/zinc/15/89/81/871158981.db2.gz JZARYEQSZZJERY-UHFFFAOYSA-N -1 1 415.870 4.244 20 0 HIADMM O=S(=O)(Cc1ccn(-c2ccc(Cl)cc2)n1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447477363 871364284 /nfs/dbraw/zinc/36/42/84/871364284.db2.gz HYXZOYMKBVQNSQ-UHFFFAOYSA-N -1 1 416.865 4.029 20 0 HIADMM O=S(=O)(Cc1ccn(-c2ccc(Cl)cc2)n1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447477363 871364302 /nfs/dbraw/zinc/36/43/02/871364302.db2.gz HYXZOYMKBVQNSQ-UHFFFAOYSA-N -1 1 416.865 4.029 20 0 HIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)c2)oc1C ZINC000447776940 871706393 /nfs/dbraw/zinc/70/63/93/871706393.db2.gz MOZUOATWYXMIJO-UHFFFAOYSA-N -1 1 412.389 4.500 20 0 HIADMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447780183 871707528 /nfs/dbraw/zinc/70/75/28/871707528.db2.gz PLYFKOCRMSHLPV-UHFFFAOYSA-N -1 1 418.412 4.092 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1OC ZINC000447780479 871711285 /nfs/dbraw/zinc/71/12/85/871711285.db2.gz QMBYDQCHHBBXGA-UHFFFAOYSA-N -1 1 413.776 4.316 20 0 HIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1C ZINC000447782789 871713869 /nfs/dbraw/zinc/71/38/69/871713869.db2.gz JGONLFNNPJELCT-UHFFFAOYSA-N -1 1 416.421 4.275 20 0 HIADMM CC(C)c1ncc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000448150679 872028472 /nfs/dbraw/zinc/02/84/72/872028472.db2.gz FVXUGPIBDOXEMD-UHFFFAOYSA-N -1 1 401.513 4.320 20 0 HIADMM O=S(=O)(Cc1ccccc1F)[N-]c1noc(-c2ccccc2)c1Br ZINC000448536802 872535411 /nfs/dbraw/zinc/53/54/11/872535411.db2.gz HHNMFQSTACRJFE-UHFFFAOYSA-N -1 1 411.252 4.185 20 0 HIADMM CCCN(CCc1cccs1)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000468587282 882670864 /nfs/dbraw/zinc/67/08/64/882670864.db2.gz MQIKPENEOHFXPP-UHFFFAOYSA-N -1 1 410.543 4.028 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000460412550 873068240 /nfs/dbraw/zinc/06/82/40/873068240.db2.gz NNHNVPZTAGWSFR-UHFFFAOYSA-N -1 1 411.483 4.003 20 0 HIADMM CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000460431719 873096459 /nfs/dbraw/zinc/09/64/59/873096459.db2.gz WZFZRMWPNWXEPC-CQSZACIVSA-N -1 1 407.495 4.480 20 0 HIADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)s1 ZINC000460451066 873125171 /nfs/dbraw/zinc/12/51/71/873125171.db2.gz BYSHBXCEWTWQLL-UHFFFAOYSA-N -1 1 424.725 4.044 20 0 HIADMM Cc1ccc(NC(=O)NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(C)c1 ZINC000460455894 873133810 /nfs/dbraw/zinc/13/38/10/873133810.db2.gz QCDNGWWEMCUCHD-UHFFFAOYSA-N -1 1 422.510 4.215 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2cccc(Cl)c2F)cnn1-c1ccc(Cl)cc1 ZINC000460458394 873137279 /nfs/dbraw/zinc/13/72/79/873137279.db2.gz ZYLXLPMVOBJYSC-UHFFFAOYSA-N -1 1 400.262 4.427 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c(=O)[n-]1 ZINC000460555043 873270425 /nfs/dbraw/zinc/27/04/25/873270425.db2.gz PHIIVHULUZDHCN-DPZKZMLUSA-N -1 1 405.951 4.312 20 0 HIADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)n[nH]1 ZINC000468607110 882713209 /nfs/dbraw/zinc/71/32/09/882713209.db2.gz JVEGUDBWNRMDIO-UHFFFAOYSA-N -1 1 408.277 4.074 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccc(F)cn4)no3)cc2)c1 ZINC000460627565 873369911 /nfs/dbraw/zinc/36/99/11/873369911.db2.gz GMSXGCSKDIEIIJ-UHFFFAOYSA-N -1 1 424.457 4.355 20 0 HIADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)cc2)n[nH]1 ZINC000468609739 882715850 /nfs/dbraw/zinc/71/58/50/882715850.db2.gz PZAZHXMEYLWPGY-UHFFFAOYSA-N -1 1 410.455 4.275 20 0 HIADMM Cc1cccc(C)c1NCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000460727160 873535358 /nfs/dbraw/zinc/53/53/58/873535358.db2.gz OGBZYOOHVVRDRD-UHFFFAOYSA-N -1 1 409.511 4.155 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1 ZINC000460824302 873708166 /nfs/dbraw/zinc/70/81/66/873708166.db2.gz NNQMQXATBQMVKT-UHFFFAOYSA-N -1 1 418.490 4.075 20 0 HIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)c(F)c3)cc2)co1 ZINC000460853403 873751120 /nfs/dbraw/zinc/75/11/20/873751120.db2.gz KDBQASVBYQARND-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM CC1(C)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)[C@H]1C1CC1 ZINC000460975684 873870034 /nfs/dbraw/zinc/87/00/34/873870034.db2.gz GYCDWYISBLDKNJ-IBGZPJMESA-N -1 1 420.481 4.026 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)c2)cc1F ZINC000460978678 873871216 /nfs/dbraw/zinc/87/12/16/873871216.db2.gz JQJZGIPCEOILNJ-FQEVSTJZSA-N -1 1 416.518 4.196 20 0 HIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1 ZINC000461118100 874042839 /nfs/dbraw/zinc/04/28/39/874042839.db2.gz FISORBNRQYWTMW-UHFFFAOYSA-N -1 1 421.946 4.470 20 0 HIADMM COC(C)(C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000461182024 874169271 /nfs/dbraw/zinc/16/92/71/874169271.db2.gz RAPDAOWXLPWYCO-AWEZNQCLSA-N -1 1 424.950 4.074 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468714052 882825583 /nfs/dbraw/zinc/82/55/83/882825583.db2.gz JHHOZNGFYNRDBK-CXAGYDPISA-N -1 1 422.485 4.092 20 0 HIADMM Cc1cc(C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468714053 882825893 /nfs/dbraw/zinc/82/58/93/882825893.db2.gz JHHOZNGFYNRDBK-DYVFJYSZSA-N -1 1 422.485 4.092 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000461479584 874538116 /nfs/dbraw/zinc/53/81/16/874538116.db2.gz CDHWXPOSNGTJEO-VLIAUNLRSA-N -1 1 420.481 4.170 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000461501831 874576193 /nfs/dbraw/zinc/57/61/93/874576193.db2.gz FLKMMHGVIGCOKP-XOBRGWDASA-N -1 1 420.481 4.170 20 0 HIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4cccs4)c3)cc3c2N1CCC3 ZINC000462374282 875485867 /nfs/dbraw/zinc/48/58/67/875485867.db2.gz GCOZCXWSNKGQQB-UHFFFAOYSA-N -1 1 410.520 4.051 20 0 HIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CCCOC)C3)cc1 ZINC000462375862 875488003 /nfs/dbraw/zinc/48/80/03/875488003.db2.gz GETVYDCUWKELHL-KRWDZBQOSA-N -1 1 402.560 4.353 20 0 HIADMM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000462384502 875496688 /nfs/dbraw/zinc/49/66/88/875496688.db2.gz PTFGKCMGCAZIDP-UHFFFAOYSA-N -1 1 402.859 4.047 20 0 HIADMM C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000462611990 875724660 /nfs/dbraw/zinc/72/46/60/875724660.db2.gz GDGVJCQYVUQNOK-GFCCVEGCSA-N -1 1 407.841 4.242 20 0 HIADMM Cc1cccc(Oc2cc(C[N-]S(=O)(=O)c3c(F)cccc3F)ccn2)c1C ZINC000462677313 875771642 /nfs/dbraw/zinc/77/16/42/875771642.db2.gz LJNLEGRNVMSMBT-UHFFFAOYSA-N -1 1 404.438 4.247 20 0 HIADMM O=C(NCc1ccc(C(F)F)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000462925124 875954437 /nfs/dbraw/zinc/95/44/37/875954437.db2.gz NTKBTAWDJUIPMM-UHFFFAOYSA-N -1 1 416.449 4.355 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1cccc2cc[nH]c21 ZINC000463500668 876561195 /nfs/dbraw/zinc/56/11/95/876561195.db2.gz MGULXXQPMSTJGI-UHFFFAOYSA-N -1 1 419.506 4.241 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)nc2)cc1Cl ZINC000463522103 876591013 /nfs/dbraw/zinc/59/10/13/876591013.db2.gz HLEMJVYATGLBOT-UHFFFAOYSA-N -1 1 408.936 4.060 20 0 HIADMM COc1cc(Br)c([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1OC ZINC000463526540 876597142 /nfs/dbraw/zinc/59/71/42/876597142.db2.gz LXKYHCGLLBPRPA-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)cc1Cl ZINC000463532535 876609504 /nfs/dbraw/zinc/60/95/04/876609504.db2.gz NPRNEFOWXXXEDQ-UHFFFAOYSA-N -1 1 414.911 4.129 20 0 HIADMM CC(=O)c1cccc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1 ZINC000468991524 883058559 /nfs/dbraw/zinc/05/85/59/883058559.db2.gz QARPZQSUYYLFGI-UHFFFAOYSA-N -1 1 419.662 4.399 20 0 HIADMM CC[C@H](Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1)C(=O)[O-] ZINC000463780496 876900544 /nfs/dbraw/zinc/90/05/44/876900544.db2.gz FBNIQVRZVHEAPW-CYBMUJFWSA-N -1 1 417.405 4.039 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cn3nc(C)nc3C)c2)cc1Cl ZINC000463787733 876905821 /nfs/dbraw/zinc/90/58/21/876905821.db2.gz OQXDDUQIMHAYBY-UHFFFAOYSA-N -1 1 422.963 4.119 20 0 HIADMM C[C@@H]1CC[C@@H](CC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000469033951 883102506 /nfs/dbraw/zinc/10/25/06/883102506.db2.gz SYTCVTCUBBGCGR-QZTJIDSGSA-N -1 1 400.544 4.272 20 0 HIADMM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000464040676 877179701 /nfs/dbraw/zinc/17/97/01/877179701.db2.gz JJQBFSOWQJNZGL-RTWAWAEBSA-N -1 1 406.530 4.087 20 0 HIADMM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000464045578 877186960 /nfs/dbraw/zinc/18/69/60/877186960.db2.gz ILCHCQOGGNLHCE-IFMALSPDSA-N -1 1 416.525 4.198 20 0 HIADMM O=S(=O)([N-][C@@H](c1cccnc1)C1CC1)c1c(Cl)cc(F)cc1Br ZINC000503245034 912225340 /nfs/dbraw/zinc/22/53/40/912225340.db2.gz UUYHVZPEFKZPCO-CQSZACIVSA-N -1 1 419.703 4.066 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(CCc2cccc(F)c2)C2CCCC2)c(=O)[n-]1 ZINC000465098055 878467141 /nfs/dbraw/zinc/46/71/41/878467141.db2.gz YJQMQQLWTMLNEU-UHFFFAOYSA-N -1 1 417.550 4.298 20 0 HIADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000465130665 878512450 /nfs/dbraw/zinc/51/24/50/878512450.db2.gz QYDXJMNLDPMNAU-UHFFFAOYSA-N -1 1 418.284 4.498 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000465293993 878733656 /nfs/dbraw/zinc/73/36/56/878733656.db2.gz DZSMGSFNOQNGAP-KSSFIOAISA-N -1 1 406.935 4.401 20 0 HIADMM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000465296869 878738758 /nfs/dbraw/zinc/73/87/58/878738758.db2.gz SDGLMPFEKKHAPP-KSSFIOAISA-N -1 1 404.507 4.196 20 0 HIADMM CC(C)CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC000465331485 878769980 /nfs/dbraw/zinc/76/99/80/878769980.db2.gz LMURWZGKGRUBJO-UHFFFAOYSA-N -1 1 408.520 4.034 20 0 HIADMM CS(=O)(=O)c1csc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)c1 ZINC000503419785 912410426 /nfs/dbraw/zinc/41/04/26/912410426.db2.gz LTTNUMGEIFWJJI-UHFFFAOYSA-N -1 1 411.904 4.415 20 0 HIADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(-c4ncc(C)o4)c3)cc2F)c1 ZINC000466293213 880038596 /nfs/dbraw/zinc/03/85/96/880038596.db2.gz LHTLNCFZVLPCJJ-UHFFFAOYSA-N -1 1 412.446 4.084 20 0 HIADMM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1cc(F)ccc1Cl ZINC000466471166 880254162 /nfs/dbraw/zinc/25/41/62/880254162.db2.gz RFOILLLZNMMTRJ-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM O=C(Nc1cccc2c1OCCC2)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000466505334 880280130 /nfs/dbraw/zinc/28/01/30/880280130.db2.gz OZRZKGJSMLIXNX-UHFFFAOYSA-N -1 1 408.479 4.065 20 0 HIADMM CC(C)n1cnc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000466940156 880709789 /nfs/dbraw/zinc/70/97/89/880709789.db2.gz VKWBARXGXMYXPI-UHFFFAOYSA-N -1 1 418.906 4.171 20 0 HIADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466957972 880742904 /nfs/dbraw/zinc/74/29/04/880742904.db2.gz OXFIPKOHYHIGGO-GFCCVEGCSA-N -1 1 419.396 4.061 20 0 HIADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466965622 880761485 /nfs/dbraw/zinc/76/14/85/880761485.db2.gz CFIZSXRVKOHNGP-OAHLLOKOSA-N -1 1 407.507 4.167 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000467093909 880858155 /nfs/dbraw/zinc/85/81/55/880858155.db2.gz TVZDNDGFCCVXOC-UHFFFAOYSA-N -1 1 400.544 4.411 20 0 HIADMM Cc1c(=O)[n-]c(SCC(=O)NCCCOC2CCCCC2)nc1-c1ccccc1 ZINC000467207469 880935473 /nfs/dbraw/zinc/93/54/73/880935473.db2.gz OKVWMYPPGIZHRW-UHFFFAOYSA-N -1 1 415.559 4.105 20 0 HIADMM Cc1cc(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469902148 884093068 /nfs/dbraw/zinc/09/30/68/884093068.db2.gz PCHVXHAACMMIDC-AWEZNQCLSA-N -1 1 416.437 4.137 20 0 HIADMM CCCC1(CNC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000470175046 884456999 /nfs/dbraw/zinc/45/69/99/884456999.db2.gz AARUTHHZFNCIEH-UHFFFAOYSA-N -1 1 415.559 4.209 20 0 HIADMM O=C(Nc1cccc(OCCF)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000470231674 884558926 /nfs/dbraw/zinc/55/89/26/884558926.db2.gz COYGPXJZDBZOFN-UHFFFAOYSA-N -1 1 414.458 4.088 20 0 HIADMM O=S(=O)([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c[nH]c2ncccc12 ZINC000503841567 912837966 /nfs/dbraw/zinc/83/79/66/912837966.db2.gz BFSLBTCTGWNQGN-ZDUSSCGKSA-N -1 1 423.338 4.164 20 0 HIADMM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2F)n1 ZINC000470262749 884608730 /nfs/dbraw/zinc/60/87/30/884608730.db2.gz HFXCUAAXQZHVCM-UHFFFAOYSA-N -1 1 400.403 4.462 20 0 HIADMM COc1cc(NC(=O)N2CCCC3(CCCCC3)CC2)ccc1[N-]S(C)(=O)=O ZINC000470346904 884737750 /nfs/dbraw/zinc/73/77/50/884737750.db2.gz SEWMAUUDHBVAQZ-UHFFFAOYSA-N -1 1 409.552 4.035 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H](Cc1ccccc1)C(C)C ZINC000470721616 885166200 /nfs/dbraw/zinc/16/62/00/885166200.db2.gz DSPCOOMRSJVLQY-OAQYLSRUSA-N -1 1 418.541 4.116 20 0 HIADMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(F)(F)F ZINC000470787801 885264515 /nfs/dbraw/zinc/26/45/15/885264515.db2.gz YGRPFWAMOPAZMW-INIZCTEOSA-N -1 1 418.412 4.006 20 0 HIADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](Oc4ccc(Cl)c(Cl)c4)C3)cnc2n1 ZINC000470859423 885351496 /nfs/dbraw/zinc/35/14/96/885351496.db2.gz NARXHSVAPBMENZ-CYBMUJFWSA-N -1 1 418.280 4.244 20 0 HIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C1)c2=O ZINC000470859423 885351521 /nfs/dbraw/zinc/35/15/21/885351521.db2.gz NARXHSVAPBMENZ-CYBMUJFWSA-N -1 1 418.280 4.244 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)ccc1C ZINC000504055625 912960018 /nfs/dbraw/zinc/96/00/18/912960018.db2.gz CYPDYYQXEBZFJZ-UHFFFAOYSA-N -1 1 404.822 4.009 20 0 HIADMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cc2nccnc2cc1F ZINC000471150058 885697094 /nfs/dbraw/zinc/69/70/94/885697094.db2.gz ZSFCKOQLFNVVKA-UHFFFAOYSA-N -1 1 403.801 4.332 20 0 HIADMM CCO[C@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)C(C)C ZINC000471223302 885797047 /nfs/dbraw/zinc/79/70/47/885797047.db2.gz FJOGHTKLNFQGNZ-LJQANCHMSA-N -1 1 404.532 4.186 20 0 HIADMM Cc1ccc(NC(=O)[C@@H](C)COc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000471234306 885809583 /nfs/dbraw/zinc/80/95/83/885809583.db2.gz AEOUTHMZLMYXSM-SFHVURJKSA-N -1 1 424.522 4.449 20 0 HIADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)[nH]n1 ZINC000471500585 886202424 /nfs/dbraw/zinc/20/24/24/886202424.db2.gz MRSOEHPDWZIPER-QMMMGPOBSA-N -1 1 420.869 4.004 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC000471549633 886258050 /nfs/dbraw/zinc/25/80/50/886258050.db2.gz FMQMYQPACUGNOP-UHFFFAOYSA-N -1 1 421.328 4.039 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(Cl)c2)ccc1F ZINC000471588121 886299053 /nfs/dbraw/zinc/29/90/53/886299053.db2.gz BAMKXHHGTHMEJI-UHFFFAOYSA-N -1 1 424.837 4.134 20 0 HIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1cc(Cl)c(Br)cc1F ZINC000471605134 886320319 /nfs/dbraw/zinc/32/03/19/886320319.db2.gz FWSYWHYVLFGDHB-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM Cn1ccc2cccc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)c21 ZINC000471680220 886389998 /nfs/dbraw/zinc/38/99/98/886389998.db2.gz POMBPEKOHGMCRT-UHFFFAOYSA-N -1 1 423.469 4.371 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)CC3(C)C)c2)cc1 ZINC000471698517 886406452 /nfs/dbraw/zinc/40/64/52/886406452.db2.gz QPOPDNDRVQTXSA-MRXNPFEDSA-N -1 1 416.543 4.147 20 0 HIADMM COc1cccc(Cc2nnc([N-]C(=O)c3ncoc3-c3ccc(F)cc3)s2)c1 ZINC000471844024 886606123 /nfs/dbraw/zinc/60/61/23/886606123.db2.gz IMOKCVIAJUSGTH-UHFFFAOYSA-N -1 1 410.430 4.184 20 0 HIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3C)cc2)n1 ZINC000471933005 886726500 /nfs/dbraw/zinc/72/65/00/886726500.db2.gz ZGWXKAIIMBFASH-UHFFFAOYSA-N -1 1 418.316 4.324 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472060884 886869668 /nfs/dbraw/zinc/86/96/68/886869668.db2.gz YXRGXGYNYRFLKQ-IVZQSRNASA-N -1 1 420.488 4.234 20 0 HIADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)c1 ZINC000504222915 913095261 /nfs/dbraw/zinc/09/52/61/913095261.db2.gz KHKPTAAHCLKRDU-UHFFFAOYSA-N -1 1 420.494 4.477 20 0 HIADMM Cc1cnccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000472218886 887020330 /nfs/dbraw/zinc/02/03/30/887020330.db2.gz GRKLZXDXDMPMAR-UHFFFAOYSA-N -1 1 401.875 4.097 20 0 HIADMM CSCC[C@@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000472253757 887063288 /nfs/dbraw/zinc/06/32/88/887063288.db2.gz ADDWVJWYGIWHNV-OAHLLOKOSA-N -1 1 424.563 4.149 20 0 HIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1c(Cl)cc(F)cc1Br ZINC000504279388 913133811 /nfs/dbraw/zinc/13/38/11/913133811.db2.gz KUXRNKTVXLTNAC-UHFFFAOYSA-N -1 1 400.603 4.321 20 0 HIADMM CC(=O)CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000472648760 887512870 /nfs/dbraw/zinc/51/28/70/887512870.db2.gz HYHPQSMOAKDBKJ-UHFFFAOYSA-N -1 1 422.934 4.475 20 0 HIADMM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)CO2 ZINC000472719266 887567678 /nfs/dbraw/zinc/56/76/78/887567678.db2.gz CKMGGMPTMNFKMU-NRFANRHFSA-N -1 1 422.506 4.219 20 0 HIADMM Cc1ccc(C(=O)N2CCCC3(CC3)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000472760222 887606655 /nfs/dbraw/zinc/60/66/55/887606655.db2.gz SSDRYPPFHVYNHZ-UHFFFAOYSA-N -1 1 418.946 4.465 20 0 HIADMM CC(=O)CC(C)(C)CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000472797144 887642473 /nfs/dbraw/zinc/64/24/73/887642473.db2.gz UUEHNISZAGCKAV-UHFFFAOYSA-N -1 1 402.516 4.130 20 0 HIADMM Cc1ncsc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000473289597 888041705 /nfs/dbraw/zinc/04/17/05/888041705.db2.gz YPRSTLMLLQTZAQ-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)sc1Cl ZINC000473400964 888116432 /nfs/dbraw/zinc/11/64/32/888116432.db2.gz JFHPOBAEQWRGBY-UHFFFAOYSA-N -1 1 405.328 4.291 20 0 HIADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000473441034 888162538 /nfs/dbraw/zinc/16/25/38/888162538.db2.gz IQOYXVFCMCJLST-UHFFFAOYSA-N -1 1 406.305 4.052 20 0 HIADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H](C)c1ccccc1 ZINC000473561727 888301773 /nfs/dbraw/zinc/30/17/73/888301773.db2.gz OVBJVLPOFWETEY-MSOLQXFVSA-N -1 1 408.523 4.409 20 0 HIADMM CCc1ccccc1CC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000473630966 888372591 /nfs/dbraw/zinc/37/25/91/888372591.db2.gz QGOXBAFBKPSVHZ-UHFFFAOYSA-N -1 1 422.550 4.251 20 0 HIADMM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1ccc(Cl)c(F)c1Cl ZINC000473854060 888705764 /nfs/dbraw/zinc/70/57/64/888705764.db2.gz NRBMGZCUNCVNQJ-UHFFFAOYSA-N -1 1 409.213 4.086 20 0 HIADMM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)sc1Cl ZINC000473863010 888717789 /nfs/dbraw/zinc/71/77/89/888717789.db2.gz NNQYVOLSNULLNF-SNVBAGLBSA-N -1 1 415.899 4.247 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3s2)cc1[N-]S(C)(=O)=O ZINC000504475491 913272995 /nfs/dbraw/zinc/27/29/95/913272995.db2.gz ORBGPFBGDLZMPW-LBPRGKRZSA-N -1 1 419.528 4.164 20 0 HIADMM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000473935229 888813049 /nfs/dbraw/zinc/81/30/49/888813049.db2.gz ARSDWXJZFNIADD-SJKOYZFVSA-N -1 1 404.290 4.189 20 0 HIADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000474077721 888904094 /nfs/dbraw/zinc/90/40/94/888904094.db2.gz FTTZECKVJWZHCF-FZKQIMNGSA-N -1 1 410.923 4.140 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)c1 ZINC000474202444 889041240 /nfs/dbraw/zinc/04/12/40/889041240.db2.gz UCGPHOADKBZYAF-UHFFFAOYSA-N -1 1 414.181 4.382 20 0 HIADMM O=C(C/C=C\c1ccc(F)cc1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000474320112 889186850 /nfs/dbraw/zinc/18/68/50/889186850.db2.gz PCLMIDMBSGMYQN-SREVYHEPSA-N -1 1 424.497 4.346 20 0 HIADMM O=C(CC1CCCCC1)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474548603 889424446 /nfs/dbraw/zinc/42/44/46/889424446.db2.gz SFPMBSHEUKWCMR-UHFFFAOYSA-N -1 1 404.507 4.213 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000474568193 889443817 /nfs/dbraw/zinc/44/38/17/889443817.db2.gz OMHAREAWBDSGSQ-UHFFFAOYSA-N -1 1 404.470 4.293 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000474568302 889444127 /nfs/dbraw/zinc/44/41/27/889444127.db2.gz XWJDAQWGXUDCMZ-OAHLLOKOSA-N -1 1 405.445 4.197 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000474579074 889452920 /nfs/dbraw/zinc/45/29/20/889452920.db2.gz QQSLQXJOWRBLLV-UHFFFAOYSA-N -1 1 404.470 4.037 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000474586654 889456526 /nfs/dbraw/zinc/45/65/26/889456526.db2.gz WBLKXKMMTLTCHP-NSHDSACASA-N -1 1 400.529 4.135 20 0 HIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000474589231 889458176 /nfs/dbraw/zinc/45/81/76/889458176.db2.gz JFIGTVVPGYOWGI-JTQLQIEISA-N -1 1 418.519 4.275 20 0 HIADMM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)ccc21 ZINC000504593775 913352884 /nfs/dbraw/zinc/35/28/84/913352884.db2.gz ULKHRLVJYIESPR-UHFFFAOYSA-N -1 1 418.780 4.339 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C4CCOCC4)no3)cc2)cc1C ZINC000504595729 913353051 /nfs/dbraw/zinc/35/30/51/913353051.db2.gz BTBVIOXFPDVGOR-UHFFFAOYSA-N -1 1 413.499 4.048 20 0 HIADMM CC(C)n1nc2c(c1NC(=O)c1cccc([N-]S(=O)(=O)c3ccccc3)c1)CCC2 ZINC000474670934 889535699 /nfs/dbraw/zinc/53/56/99/889535699.db2.gz KLAJMDKJSKBWRA-UHFFFAOYSA-N -1 1 424.526 4.006 20 0 HIADMM CO[C@H]1CCC[C@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000474882495 889739250 /nfs/dbraw/zinc/73/92/50/889739250.db2.gz SDYVZBXZYHNCJQ-LPHOPBHVSA-N -1 1 402.516 4.021 20 0 HIADMM CCc1nnc([N-]C(=O)c2c(CC)onc2-c2ccc(Br)cc2)s1 ZINC000475108540 889957634 /nfs/dbraw/zinc/95/76/34/889957634.db2.gz KFEXUSSNYNUTSY-UHFFFAOYSA-N -1 1 407.293 4.333 20 0 HIADMM CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000475373076 890302156 /nfs/dbraw/zinc/30/21/56/890302156.db2.gz XELFCOVZGJPUHR-SFHVURJKSA-N -1 1 405.520 4.072 20 0 HIADMM CN(C)Cc1cnc(/C=C/c2cc(C(=O)[O-])c3ccc(Br)cc3n2)s1 ZINC000504721945 913455835 /nfs/dbraw/zinc/45/58/35/913455835.db2.gz RWBYGJCRNSBWKI-GQCTYLIASA-N -1 1 418.316 4.384 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c(Br)c1 ZINC000475807861 890743532 /nfs/dbraw/zinc/74/35/32/890743532.db2.gz JXQBSHAIZIQQDA-UHFFFAOYSA-N -1 1 424.238 4.363 20 0 HIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(-c4cccnc4)ccc3C)cc2C[C@@H]1C ZINC000475823510 890757585 /nfs/dbraw/zinc/75/75/85/890757585.db2.gz DBANRYBHLWYHSK-INIZCTEOSA-N -1 1 421.522 4.155 20 0 HIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c1 ZINC000475825113 890759797 /nfs/dbraw/zinc/75/97/97/890759797.db2.gz DFLOELWTSLUHMC-UHFFFAOYSA-N -1 1 416.886 4.298 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)cc1 ZINC000475830946 890765457 /nfs/dbraw/zinc/76/54/57/890765457.db2.gz NYHNPHSHQJKYII-UHFFFAOYSA-N -1 1 424.347 4.066 20 0 HIADMM COc1cc(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1Br ZINC000476251464 891175323 /nfs/dbraw/zinc/17/53/23/891175323.db2.gz PTFDLTVDBDIGIG-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(-c2nc(C3CC3)no2)c1 ZINC000476385892 891300184 /nfs/dbraw/zinc/30/01/84/891300184.db2.gz LOCRFVSKWNKAHU-CYBMUJFWSA-N -1 1 411.483 4.047 20 0 HIADMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)ccc21 ZINC000476389760 891305052 /nfs/dbraw/zinc/30/50/52/891305052.db2.gz ORXZOLQEWDTDGT-UHFFFAOYSA-N -1 1 412.433 4.114 20 0 HIADMM COc1cc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)ccc1Br ZINC000476394330 891310121 /nfs/dbraw/zinc/31/01/21/891310121.db2.gz BKFAJZUIJRQGFY-UHFFFAOYSA-N -1 1 414.321 4.184 20 0 HIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1 ZINC000476426610 891338292 /nfs/dbraw/zinc/33/82/92/891338292.db2.gz BFMYDTIYHMYOQS-INIZCTEOSA-N -1 1 404.507 4.258 20 0 HIADMM C[C@@H]1CC(C)(C)c2ccccc2N1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000504860480 913590546 /nfs/dbraw/zinc/59/05/46/913590546.db2.gz YFWIZVOJIFTCMY-CQSZACIVSA-N -1 1 404.532 4.073 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC[C@H](C)C3)c2)cc1 ZINC000476845944 891820430 /nfs/dbraw/zinc/82/04/30/891820430.db2.gz JVOQIZGZEWMRFJ-KRWDZBQOSA-N -1 1 416.543 4.148 20 0 HIADMM O=C(NC1(c2nn[n-]n2)CC1)c1cccc(CSc2c(Cl)cccc2Cl)c1 ZINC000477020239 891948402 /nfs/dbraw/zinc/94/84/02/891948402.db2.gz OMRNUJFSEBQTBW-UHFFFAOYSA-N -1 1 420.325 4.218 20 0 HIADMM CC(C)c1csc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000477134458 892062289 /nfs/dbraw/zinc/06/22/89/892062289.db2.gz HUYZFHVJRPJRKR-UHFFFAOYSA-N -1 1 409.758 4.161 20 0 HIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)c2ccccc12 ZINC000477190404 892112192 /nfs/dbraw/zinc/11/21/92/892112192.db2.gz PXWUWNQHXZNLHI-UHFFFAOYSA-N -1 1 418.478 4.056 20 0 HIADMM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)C1CC1 ZINC000477226309 892163215 /nfs/dbraw/zinc/16/32/15/892163215.db2.gz BUQINTBUULTWIB-GFCCVEGCSA-N -1 1 412.433 4.491 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccn(C2CCCC2)n1 ZINC000477322764 892288729 /nfs/dbraw/zinc/28/87/29/892288729.db2.gz TYOPGQNEWQFNNY-UHFFFAOYSA-N -1 1 410.499 4.051 20 0 HIADMM COc1cc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)ccc1F ZINC000477335498 892303423 /nfs/dbraw/zinc/30/34/23/892303423.db2.gz FFMKOTSHVWREGV-UHFFFAOYSA-N -1 1 414.458 4.196 20 0 HIADMM CC1(C)CCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000477351690 892317247 /nfs/dbraw/zinc/31/72/47/892317247.db2.gz JXSCNUDUUQTQBQ-IBGZPJMESA-N -1 1 404.507 4.069 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000477505028 892511852 /nfs/dbraw/zinc/51/18/52/892511852.db2.gz BBZDHLZLAHEYBL-QFIPXVFZSA-N -1 1 416.525 4.412 20 0 HIADMM CCC1(C)CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CC1 ZINC000504953233 913693207 /nfs/dbraw/zinc/69/32/07/913693207.db2.gz HVKINZFMOKFAEU-UHFFFAOYSA-N -1 1 416.543 4.148 20 0 HIADMM CCC1(C)CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000504964858 913702254 /nfs/dbraw/zinc/70/22/54/913702254.db2.gz DRPMYVHRRCVNKV-UHFFFAOYSA-N -1 1 418.534 4.208 20 0 HIADMM Cc1nc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)cs1 ZINC000477740532 892836602 /nfs/dbraw/zinc/83/66/02/892836602.db2.gz GVHGFXVROBMPNN-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccncc4)no3)c2)cc1F ZINC000504969783 913709894 /nfs/dbraw/zinc/70/98/94/913709894.db2.gz RTXGFDDOVYQQOW-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000477969708 893062855 /nfs/dbraw/zinc/06/28/55/893062855.db2.gz ONHIRYORFDPVGD-IAGOWNOFSA-N -1 1 415.559 4.111 20 0 HIADMM O=C(Cn1ccc2ccccc21)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000478059487 893218805 /nfs/dbraw/zinc/21/88/05/893218805.db2.gz FIEYUUGFLYHREP-UHFFFAOYSA-N -1 1 423.469 4.220 20 0 HIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCC(C)(C)C3)c2)cc1 ZINC000478216653 893376289 /nfs/dbraw/zinc/37/62/89/893376289.db2.gz RXFMRSGXZTZJJY-SFHVURJKSA-N -1 1 416.543 4.147 20 0 HIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCC(C)(C)C1 ZINC000478217992 893377596 /nfs/dbraw/zinc/37/75/96/893377596.db2.gz KZLPPBLYJCYEIZ-SFHVURJKSA-N -1 1 404.507 4.277 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478228457 893389784 /nfs/dbraw/zinc/38/97/84/893389784.db2.gz NEOXCKFBGHMTTL-YLJYHZDGSA-N -1 1 420.488 4.077 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478228454 893390078 /nfs/dbraw/zinc/39/00/78/893390078.db2.gz NEOXCKFBGHMTTL-PXNSSMCTSA-N -1 1 420.488 4.077 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)o1 ZINC000478231253 893392085 /nfs/dbraw/zinc/39/20/85/893392085.db2.gz QHZVQFGJNDYEEG-UHFFFAOYSA-N -1 1 424.950 4.030 20 0 HIADMM Cc1ccc(NC(=O)Cn2ccc3ccccc32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000478369467 893630564 /nfs/dbraw/zinc/63/05/64/893630564.db2.gz JMMSSXCEFGDYBF-UHFFFAOYSA-N -1 1 419.506 4.389 20 0 HIADMM CCCCCOCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000478512048 893821303 /nfs/dbraw/zinc/82/13/03/893821303.db2.gz CQSIVWHGIMWZLZ-UHFFFAOYSA-N -1 1 404.532 4.250 20 0 HIADMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)sn1 ZINC000478552942 893845501 /nfs/dbraw/zinc/84/55/01/893845501.db2.gz ITHFJBLNVROXKT-UHFFFAOYSA-N -1 1 401.513 4.121 20 0 HIADMM C[C@@H](CN(C)C(=O)c1ccccc1Oc1ccc(Cl)cc1Cl)c1nn[n-]n1 ZINC000478588815 893862524 /nfs/dbraw/zinc/86/25/24/893862524.db2.gz SSGVPPPTWVUGBU-NSHDSACASA-N -1 1 406.273 4.175 20 0 HIADMM C[C@H](CN(C)C(=O)c1c2c(nc3ccccc31)C(=Cc1ccccc1)CC2)c1nn[n-]n1 ZINC000478603900 893869642 /nfs/dbraw/zinc/86/96/42/893869642.db2.gz TZZDOGLOIDXYCM-WDMNMGCXSA-N -1 1 424.508 4.110 20 0 HIADMM CC[C@@H](C)n1ncc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000478678662 893931518 /nfs/dbraw/zinc/93/15/18/893931518.db2.gz XZIVFAQRBFETJX-OAHLLOKOSA-N -1 1 412.515 4.216 20 0 HIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)cc1Cl ZINC000478694097 893953991 /nfs/dbraw/zinc/95/39/91/893953991.db2.gz QIHDORRMXHOEKM-UHFFFAOYSA-N -1 1 413.952 4.265 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2cnn(C)c2)ccc1OC(C)C ZINC000478695103 893954150 /nfs/dbraw/zinc/95/41/50/893954150.db2.gz SQRBZFSXZSCTRX-UHFFFAOYSA-N -1 1 403.479 4.123 20 0 HIADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2nc1C1CC1 ZINC000479115166 894383455 /nfs/dbraw/zinc/38/34/55/894383455.db2.gz LQKYFJXHICCCER-UHFFFAOYSA-N -1 1 409.433 4.356 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1Br)c1cnc(-c2ccccc2)nc1 ZINC000479124670 894392675 /nfs/dbraw/zinc/39/26/75/894392675.db2.gz SCOXLOPBKXCBRF-UHFFFAOYSA-N -1 1 424.707 4.360 20 0 HIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccccc3C(=O)c3ccccc3)c2C)o1 ZINC000479149701 894419745 /nfs/dbraw/zinc/41/97/45/894419745.db2.gz BEVKKGDDRLPRJJ-UHFFFAOYSA-N -1 1 421.478 4.318 20 0 HIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)cc(C)c2C)cc1 ZINC000479265862 894536110 /nfs/dbraw/zinc/53/61/10/894536110.db2.gz KQANXRIAHMCUML-UHFFFAOYSA-N -1 1 409.573 4.195 20 0 HIADMM CSc1nc(C)c(CCC(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)c(=O)[n-]1 ZINC000479400411 894705347 /nfs/dbraw/zinc/70/53/47/894705347.db2.gz QZDSUDBCKDFSNT-GOSISDBHSA-N -1 1 414.575 4.102 20 0 HIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000479529414 894836429 /nfs/dbraw/zinc/83/64/29/894836429.db2.gz RUPVWMPSOAAIEY-UHFFFAOYSA-N -1 1 405.264 4.348 20 0 HIADMM CN1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)ccc2NC1=O ZINC000479533843 894840367 /nfs/dbraw/zinc/84/03/67/894840367.db2.gz UNGONXAMKXMYCS-UHFFFAOYSA-N -1 1 401.875 4.271 20 0 HIADMM O=S(=O)([N-]c1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccc2ncccc2c1 ZINC000479578495 894869753 /nfs/dbraw/zinc/86/97/53/894869753.db2.gz ZOHDTCOHXUKQQJ-UHFFFAOYSA-N -1 1 418.400 4.240 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)CCCc2ccccc2)o1 ZINC000505267118 913922671 /nfs/dbraw/zinc/92/26/71/913922671.db2.gz XTZDJKHKWBBROC-UHFFFAOYSA-N -1 1 420.575 4.135 20 0 HIADMM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000479928110 895275963 /nfs/dbraw/zinc/27/59/63/895275963.db2.gz RQORHVDHBHNYNC-ZANVPECISA-N -1 1 424.769 4.219 20 0 HIADMM O=S(=O)([N-][C@@H](CCc1ccccc1)C(F)(F)F)c1ccccc1OC(F)F ZINC000480018193 895368781 /nfs/dbraw/zinc/36/87/81/895368781.db2.gz KXBIZSRIWDSJTF-HNNXBMFYSA-N -1 1 409.376 4.130 20 0 HIADMM Cc1csc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1Cl ZINC000480031730 895381191 /nfs/dbraw/zinc/38/11/91/895381191.db2.gz QIFXQXDAQMAFIZ-UHFFFAOYSA-N -1 1 420.943 4.441 20 0 HIADMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000480182827 895576782 /nfs/dbraw/zinc/57/67/82/895576782.db2.gz QAGKJXRQRZQRMI-UHFFFAOYSA-N -1 1 411.252 4.352 20 0 HIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480187048 895583039 /nfs/dbraw/zinc/58/30/39/895583039.db2.gz ZCDDEKSAIQKHCH-UHFFFAOYSA-N -1 1 400.422 4.249 20 0 HIADMM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc(F)cc1Br ZINC000480206721 895610143 /nfs/dbraw/zinc/61/01/43/895610143.db2.gz PTYCSCCUBUUHIG-UHFFFAOYSA-N -1 1 400.056 4.091 20 0 HIADMM CCS[C@H]1CCCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000480397932 895802195 /nfs/dbraw/zinc/80/21/95/895802195.db2.gz RJZXFDDMOFONOK-IBGZPJMESA-N -1 1 418.584 4.235 20 0 HIADMM O=S(=O)([N-][C@H]1CC[C@H](c2ccc(F)cc2)C1)c1sccc1Br ZINC000480748058 896109636 /nfs/dbraw/zinc/10/96/36/896109636.db2.gz GGSOYGMYMKUDGN-AAEUAGOBSA-N -1 1 404.326 4.264 20 0 HIADMM CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)CC2 ZINC000480825098 896198458 /nfs/dbraw/zinc/19/84/58/896198458.db2.gz FDJVVVXNXCHTSK-LBPRGKRZSA-N -1 1 422.765 4.260 20 0 HIADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000481002225 896333217 /nfs/dbraw/zinc/33/32/17/896333217.db2.gz IAAUBQHOJNWBLV-RTBURBONSA-N -1 1 422.547 4.031 20 0 HIADMM Cc1cc2n[nH]cc2cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000481302546 896646958 /nfs/dbraw/zinc/64/69/58/896646958.db2.gz CISYLAPSLYZHQE-UHFFFAOYSA-N -1 1 424.457 4.064 20 0 HIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1c(F)cccc1F ZINC000481416338 896819846 /nfs/dbraw/zinc/81/98/46/896819846.db2.gz HKXVTZGNXFHECK-UHFFFAOYSA-N -1 1 424.375 4.296 20 0 HIADMM Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000481706000 897095363 /nfs/dbraw/zinc/09/53/63/897095363.db2.gz GTCISIUKUUGPPJ-UHFFFAOYSA-N -1 1 419.503 4.190 20 0 HIADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(C(=O)N(CC)CC)cc1 ZINC000481869028 897238383 /nfs/dbraw/zinc/23/83/83/897238383.db2.gz OHMDAHKJHDHSBQ-UHFFFAOYSA-N -1 1 402.560 4.403 20 0 HIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1Cl ZINC000481973927 897366204 /nfs/dbraw/zinc/36/62/04/897366204.db2.gz BAMUEXIRDHWPQA-UHFFFAOYSA-N -1 1 403.287 4.151 20 0 HIADMM CCS[C@H]1CCC[C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000482229401 897709620 /nfs/dbraw/zinc/70/96/20/897709620.db2.gz NOPOFYLRNVPRMI-HKUYNNGSSA-N -1 1 418.584 4.282 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c1 ZINC000482537050 898123759 /nfs/dbraw/zinc/12/37/59/898123759.db2.gz RFPJIJSKMHRQQF-FZMZJTMJSA-N -1 1 403.276 4.310 20 0 HIADMM COCCOCc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])ccc1F ZINC000482554285 898145433 /nfs/dbraw/zinc/14/54/33/898145433.db2.gz NMKJJQJJLYMTOB-UHFFFAOYSA-N -1 1 412.255 4.018 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ncccc2OCC(F)(F)F)c1 ZINC000482560645 898152744 /nfs/dbraw/zinc/15/27/44/898152744.db2.gz VKFWFTJBCLKLNK-UHFFFAOYSA-N -1 1 405.170 4.052 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000482599026 898202064 /nfs/dbraw/zinc/20/20/64/898202064.db2.gz CUCWPXISLLSEEW-UHFFFAOYSA-N -1 1 412.667 4.069 20 0 HIADMM Cc1ccc(C2(C(=O)Nc3cc(C)cc(Br)c3[O-])CCOCC2)cc1 ZINC000482603869 898206084 /nfs/dbraw/zinc/20/60/84/898206084.db2.gz NGAKLYPMLOZWHU-UHFFFAOYSA-N -1 1 404.304 4.458 20 0 HIADMM CSc1nc(C2CC2)nc(C)c1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482657644 898260562 /nfs/dbraw/zinc/26/05/62/898260562.db2.gz LGBZSDNSEVBKJA-UHFFFAOYSA-N -1 1 408.321 4.413 20 0 HIADMM Cc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])nnn1-c1cccc(Cl)c1 ZINC000482674768 898277149 /nfs/dbraw/zinc/27/71/49/898277149.db2.gz PPTIWKIOEBEIKT-UHFFFAOYSA-N -1 1 421.682 4.258 20 0 HIADMM CC(=O)c1ccc(OCCCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482737050 898339172 /nfs/dbraw/zinc/33/91/72/898339172.db2.gz QSJSOAIUUKQLBZ-UHFFFAOYSA-N -1 1 406.276 4.463 20 0 HIADMM COc1ccc(F)cc1-c1csc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)n1 ZINC000483642789 899298121 /nfs/dbraw/zinc/29/81/21/899298121.db2.gz HLNJLXGKBONNMP-UHFFFAOYSA-N -1 1 422.441 4.164 20 0 HIADMM COC(=O)c1ccc(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)c(F)c1 ZINC000483915220 899582516 /nfs/dbraw/zinc/58/25/16/899582516.db2.gz LSKHRIKKISVINR-UHFFFAOYSA-N -1 1 407.353 4.435 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc(OC)c1C(C)C ZINC000484050265 899682519 /nfs/dbraw/zinc/68/25/19/899682519.db2.gz XVYKLVAOPXLSSX-UHFFFAOYSA-N -1 1 404.463 4.315 20 0 HIADMM O=S(=O)([N-]c1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccc(F)c2ncccc12 ZINC000484120535 899742645 /nfs/dbraw/zinc/74/26/45/899742645.db2.gz WPYVHZVZEULSQH-UHFFFAOYSA-N -1 1 419.441 4.113 20 0 HIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000484710282 900143007 /nfs/dbraw/zinc/14/30/07/900143007.db2.gz AUFQABCYCZFSIK-MRVPVSSYSA-N -1 1 420.229 4.021 20 0 HIADMM CCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCOCC1 ZINC000485009887 900359551 /nfs/dbraw/zinc/35/95/51/900359551.db2.gz QRGFXVNSCAWVLD-UHFFFAOYSA-N -1 1 422.934 4.286 20 0 HIADMM CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cc1 ZINC000485291772 900569235 /nfs/dbraw/zinc/56/92/35/900569235.db2.gz NPZSIECTTKYTOZ-LLVKDONJSA-N -1 1 413.879 4.025 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NC[C@H]2CCC(F)(F)C2)nc1 ZINC000485416338 900713753 /nfs/dbraw/zinc/71/37/53/900713753.db2.gz ONRYZRNEGJLQHH-NSHDSACASA-N -1 1 403.401 4.008 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000485839554 901084242 /nfs/dbraw/zinc/08/42/42/901084242.db2.gz BMDHEHOYPRJHSA-UHFFFAOYSA-N -1 1 401.470 4.079 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC(C)(C)CCCc1ccccc1 ZINC000505886145 914530767 /nfs/dbraw/zinc/53/07/67/914530767.db2.gz ZKZBWCMDPLFLNI-UHFFFAOYSA-N -1 1 408.546 4.150 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCS[C@H]2CCCC[C@H]21 ZINC000486775360 901845918 /nfs/dbraw/zinc/84/59/18/901845918.db2.gz GOVDOKDYBXWDIG-HIFRSBDPSA-N -1 1 407.333 4.203 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1sccc1Br)c1nc(C(F)(F)F)cs1 ZINC000486857252 901902137 /nfs/dbraw/zinc/90/21/37/901902137.db2.gz KUWKFHQQUCQAFF-YFKPBYRVSA-N -1 1 421.285 4.025 20 0 HIADMM COC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(OCC(F)(F)F)c1 ZINC000486911955 901959014 /nfs/dbraw/zinc/95/90/14/901959014.db2.gz OLNZULDNMGQKQL-UHFFFAOYSA-N -1 1 418.755 4.417 20 0 HIADMM CCCC[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(OC)cc1 ZINC000487646439 902271170 /nfs/dbraw/zinc/27/11/70/902271170.db2.gz CXXLFEUEQJGTNP-NRFANRHFSA-N -1 1 420.513 4.151 20 0 HIADMM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000488249622 902722785 /nfs/dbraw/zinc/72/27/85/902722785.db2.gz FAXUKGIADZLOSC-UHFFFAOYSA-N -1 1 418.824 4.052 20 0 HIADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488284417 902747040 /nfs/dbraw/zinc/74/70/40/902747040.db2.gz ZBSBCFSAXZKAIN-LLVKDONJSA-N -1 1 420.289 4.349 20 0 HIADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488296271 902757122 /nfs/dbraw/zinc/75/71/22/902757122.db2.gz OBWCELYSDRCDQO-LLVKDONJSA-N -1 1 420.289 4.349 20 0 HIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCCCC3)c1C ZINC000488396695 902806361 /nfs/dbraw/zinc/80/63/61/902806361.db2.gz JMOIUEFWUZAKTN-UHFFFAOYSA-N -1 1 410.543 4.343 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000488945967 903092796 /nfs/dbraw/zinc/09/27/96/903092796.db2.gz PSMAJUGQJCKATH-MRXNPFEDSA-N -1 1 422.497 4.412 20 0 HIADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(OCc4ccccn4)c3)ccc2O1 ZINC000489478225 903408770 /nfs/dbraw/zinc/40/87/70/903408770.db2.gz WSUDBYFHLLQKMM-UHFFFAOYSA-N -1 1 410.495 4.175 20 0 HIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(OC4CCC4)c(F)c3)ccc21 ZINC000489547340 903455858 /nfs/dbraw/zinc/45/58/58/903455858.db2.gz IWBRCHGJSWSIKD-UHFFFAOYSA-N -1 1 403.479 4.488 20 0 HIADMM Cc1c(COC(C)(C)C)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489606230 903496056 /nfs/dbraw/zinc/49/60/56/903496056.db2.gz MRUSOTZYJCQCRU-UHFFFAOYSA-N -1 1 411.907 4.463 20 0 HIADMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000489695861 903544485 /nfs/dbraw/zinc/54/44/85/903544485.db2.gz HGZUSZTWACFKBL-UHFFFAOYSA-N -1 1 423.498 4.309 20 0 HIADMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc2F)c1 ZINC000489743078 903571786 /nfs/dbraw/zinc/57/17/86/903571786.db2.gz KDBRDKBHPJZRAH-UHFFFAOYSA-N -1 1 413.478 4.051 20 0 HIADMM CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C(F)(F)F)c1 ZINC000489764157 903589417 /nfs/dbraw/zinc/58/94/17/903589417.db2.gz JPSGTBCOJZMPGQ-UHFFFAOYSA-N -1 1 423.796 4.257 20 0 HIADMM CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000490147522 903793553 /nfs/dbraw/zinc/79/35/53/903793553.db2.gz CFPOXERCOWNIAZ-UHFFFAOYSA-N -1 1 406.486 4.297 20 0 HIADMM CC(C)c1nc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)nn1-c1ccccc1F ZINC000490315560 903896938 /nfs/dbraw/zinc/89/69/38/903896938.db2.gz MBWAAMMYOKCGCG-MDZDMXLPSA-N -1 1 424.461 4.397 20 0 HIADMM CC(C)c1nc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)nn1-c1cccc(F)c1 ZINC000490360484 903953712 /nfs/dbraw/zinc/95/37/12/903953712.db2.gz CXGVXWPMPOFLOB-HJWRWDBZSA-N -1 1 424.461 4.397 20 0 HIADMM COc1ccc(NC(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000490500609 904053223 /nfs/dbraw/zinc/05/32/23/904053223.db2.gz KXNIVOHZSRWOCZ-SFHVURJKSA-N -1 1 423.510 4.115 20 0 HIADMM COc1ccc(NC(=O)N[C@H](CC(C)C)c2ccccc2C)cc1[N-]S(C)(=O)=O ZINC000491144235 904455319 /nfs/dbraw/zinc/45/53/19/904455319.db2.gz LWUJHMZVHXRPPC-GOSISDBHSA-N -1 1 419.547 4.284 20 0 HIADMM Cc1csc(-c2ccc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)cc2)n1 ZINC000506130687 914815912 /nfs/dbraw/zinc/81/59/12/914815912.db2.gz HXTVGXRKUBKWOS-UHFFFAOYSA-N -1 1 417.494 4.166 20 0 HIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1 ZINC000491550829 904645408 /nfs/dbraw/zinc/64/54/08/904645408.db2.gz ZFFGBZISLMWAPK-UHFFFAOYSA-N -1 1 420.494 4.013 20 0 HIADMM CC1(C)C[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000492573055 904870431 /nfs/dbraw/zinc/87/04/31/904870431.db2.gz MZXFSPBGQQKEGR-MRXNPFEDSA-N -1 1 412.433 4.035 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3(C)CCCCC3)cc2)cc1 ZINC000492714084 904893328 /nfs/dbraw/zinc/89/33/28/904893328.db2.gz ZUUOCUFNJJIVLU-UHFFFAOYSA-N -1 1 416.543 4.339 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000494019877 905359545 /nfs/dbraw/zinc/35/95/45/905359545.db2.gz WMENCCUFHWNOJI-AWEZNQCLSA-N -1 1 416.456 4.265 20 0 HIADMM COc1ccc(NC(=O)N2CCC[C@H]2CCC2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000494183634 905518808 /nfs/dbraw/zinc/51/88/08/905518808.db2.gz UMLBRNWIVLIBNF-SFHVURJKSA-N -1 1 423.579 4.424 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CCCN1c1ccccc1 ZINC000494327245 905639107 /nfs/dbraw/zinc/63/91/07/905639107.db2.gz INMHKQJQAVRSSE-QFIPXVFZSA-N -1 1 421.522 4.095 20 0 HIADMM C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000494880910 906057952 /nfs/dbraw/zinc/05/79/52/906057952.db2.gz VJSVBRPEUHNXFX-CQSZACIVSA-N -1 1 414.449 4.338 20 0 HIADMM CSc1nc(C)c(CCC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c(=O)[n-]1 ZINC000512606893 921257957 /nfs/dbraw/zinc/25/79/57/921257957.db2.gz QEPWSQOBUPNGSM-QFIPXVFZSA-N -1 1 419.550 4.319 20 0 HIADMM C[C@H](C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C(C)(F)F ZINC000497108015 906806440 /nfs/dbraw/zinc/80/64/40/906806440.db2.gz LLUFBOFVUPUUTB-SNVBAGLBSA-N -1 1 418.849 4.076 20 0 HIADMM COc1ccccc1-c1nc(CSc2nc([O-])cc(=O)n2C2CCCC2)cs1 ZINC000497444400 906918927 /nfs/dbraw/zinc/91/89/27/906918927.db2.gz UPXCQAMSFIJSOS-UHFFFAOYSA-N -1 1 415.540 4.488 20 0 HIADMM COc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1[N-]S(C)(=O)=O ZINC000497587076 907068852 /nfs/dbraw/zinc/06/88/52/907068852.db2.gz HJSGRHNUJPQZDI-UHFFFAOYSA-N -1 1 420.487 4.187 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(OC(F)(F)F)c3)c3cccc(c23)C1=O ZINC000512771912 921309466 /nfs/dbraw/zinc/30/94/66/921309466.db2.gz RDLRZVGPESMLSB-UHFFFAOYSA-N -1 1 422.384 4.129 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1-c1ncco1 ZINC000512785576 921310924 /nfs/dbraw/zinc/31/09/24/921310924.db2.gz LGCHJJGEOPJEMC-UHFFFAOYSA-N -1 1 419.462 4.194 20 0 HIADMM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cc1 ZINC000512822543 921327260 /nfs/dbraw/zinc/32/72/60/921327260.db2.gz GZLJOLUHMHOYQB-INIZCTEOSA-N -1 1 412.486 4.160 20 0 HIADMM C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000498024845 907523565 /nfs/dbraw/zinc/52/35/65/907523565.db2.gz ZHWIGFPSFHFJNJ-CYBMUJFWSA-N -1 1 424.950 4.376 20 0 HIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)c1 ZINC000512829822 921334509 /nfs/dbraw/zinc/33/45/09/921334509.db2.gz WFYHHLULAVWQGD-UHFFFAOYSA-N -1 1 412.467 4.078 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCOc4ccccc43)c2)c1 ZINC000512837396 921340083 /nfs/dbraw/zinc/34/00/83/921340083.db2.gz IUULYYOOXSRYIB-UHFFFAOYSA-N -1 1 422.506 4.143 20 0 HIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCCc2ccccc2C1 ZINC000498195415 907729244 /nfs/dbraw/zinc/72/92/44/907729244.db2.gz KFTXDRANOXLMIS-UHFFFAOYSA-N -1 1 406.507 4.076 20 0 HIADMM C[C@@H](c1cccnc1)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498203252 907736851 /nfs/dbraw/zinc/73/68/51/907736851.db2.gz UJXHBPCXAQNUJR-INIZCTEOSA-N -1 1 410.499 4.107 20 0 HIADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498209725 907740818 /nfs/dbraw/zinc/74/08/18/907740818.db2.gz JDVYDOXUSZDTLD-UZLBHIALSA-N -1 1 402.516 4.021 20 0 HIADMM CC[C@H](OC1CCCC1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498211425 907742412 /nfs/dbraw/zinc/74/24/12/907742412.db2.gz SXOFQODEQYVJMG-FQEVSTJZSA-N -1 1 402.516 4.164 20 0 HIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)Cc2cnc3ccccc3n2)c1 ZINC000498217904 907748191 /nfs/dbraw/zinc/74/81/91/907748191.db2.gz YFOGUGRJBWZLOE-GFCCVEGCSA-N -1 1 400.276 4.224 20 0 HIADMM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000498321096 907838520 /nfs/dbraw/zinc/83/85/20/907838520.db2.gz YNTCAKWFISUYLB-INIZCTEOSA-N -1 1 412.486 4.460 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(Cc1cccc(F)c1)C1CC1 ZINC000498343390 907848875 /nfs/dbraw/zinc/84/88/75/907848875.db2.gz GMWNRLSNMJGYHA-UHFFFAOYSA-N -1 1 424.497 4.431 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1)N1CCc2ccccc21 ZINC000498412561 907888776 /nfs/dbraw/zinc/88/87/76/907888776.db2.gz XZNMRUVLAUWBFY-UHFFFAOYSA-N -1 1 412.898 4.344 20 0 HIADMM CCN(CC(F)(F)F)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000498741767 908169954 /nfs/dbraw/zinc/16/99/54/908169954.db2.gz ZQRRCUZRBFDPJK-UHFFFAOYSA-N -1 1 414.449 4.129 20 0 HIADMM CCCN(CC(F)F)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000498753533 908176525 /nfs/dbraw/zinc/17/65/25/908176525.db2.gz FYKJKJRYOMYDIL-UHFFFAOYSA-N -1 1 414.449 4.052 20 0 HIADMM O=C([N-]c1cccc(F)c1F)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000498957247 908356552 /nfs/dbraw/zinc/35/65/52/908356552.db2.gz PAGLKEWRXPDEBD-UHFFFAOYSA-N -1 1 414.499 4.280 20 0 HIADMM COc1cc(Br)c([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1OC ZINC000512959138 921437455 /nfs/dbraw/zinc/43/74/55/921437455.db2.gz USXJBQZRXISAJQ-UHFFFAOYSA-N -1 1 424.675 4.060 20 0 HIADMM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000499504278 908820268 /nfs/dbraw/zinc/82/02/68/908820268.db2.gz JSKZZUDPKALJQB-ZDUSSCGKSA-N -1 1 409.454 4.058 20 0 HIADMM CCCN(CC(C)C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000499661877 908868198 /nfs/dbraw/zinc/86/81/98/908868198.db2.gz UFVLLQTYBHIUGD-UHFFFAOYSA-N -1 1 404.532 4.004 20 0 HIADMM O=C(NCC1CCSCC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000499719785 908888461 /nfs/dbraw/zinc/88/84/61/908888461.db2.gz GONSBFJKIXCBJF-UHFFFAOYSA-N -1 1 424.975 4.014 20 0 HIADMM COc1ccc(CC2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)cc1 ZINC000499933802 909041301 /nfs/dbraw/zinc/04/13/01/909041301.db2.gz WIEVWMKMADINBB-UHFFFAOYSA-N -1 1 404.304 4.258 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000499979864 909427704 /nfs/dbraw/zinc/42/77/04/909427704.db2.gz DXGORKHPLYIVPU-UHFFFAOYSA-N -1 1 415.331 4.070 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3CC(C)C)c2)cc1 ZINC000500140929 909618822 /nfs/dbraw/zinc/61/88/22/909618822.db2.gz CKJPVTUXTIJHBR-FQEVSTJZSA-N -1 1 400.544 4.447 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)cc1C(F)(F)F ZINC000500325225 909786928 /nfs/dbraw/zinc/78/69/28/909786928.db2.gz OTWNXIKRFREJMN-UHFFFAOYSA-N -1 1 414.449 4.343 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)nc2)cc1C(F)(F)F ZINC000500351422 909807273 /nfs/dbraw/zinc/80/72/73/909807273.db2.gz UHABMTBOQAGVAQ-UHFFFAOYSA-N -1 1 414.327 4.151 20 0 HIADMM Cc1ccc(F)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1F ZINC000500718901 910038009 /nfs/dbraw/zinc/03/80/09/910038009.db2.gz ZXEQWDVFYXCPAO-UHFFFAOYSA-N -1 1 402.422 4.326 20 0 HIADMM CCC[C@@H]1CCc2nc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)sc2C1 ZINC000500746513 910056981 /nfs/dbraw/zinc/05/69/81/910056981.db2.gz IUVLGYUGYUEPIM-CQSZACIVSA-N -1 1 423.542 4.095 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H]3CCCC(F)(F)C3)cc2)cc1 ZINC000502030448 910988370 /nfs/dbraw/zinc/98/83/70/910988370.db2.gz IMVYFBOXOXSBSA-INIZCTEOSA-N -1 1 422.497 4.351 20 0 HIADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000502050449 911002379 /nfs/dbraw/zinc/00/23/79/911002379.db2.gz NUXSTGROQNNMRZ-HNNXBMFYSA-N -1 1 408.470 4.043 20 0 HIADMM CSc1nc(C)c(CCC(=O)NCc2ccccc2OCc2ccccc2)c(=O)[n-]1 ZINC000502070018 911014783 /nfs/dbraw/zinc/01/47/83/911014783.db2.gz IDUJZOUSXSTWRO-UHFFFAOYSA-N -1 1 423.538 4.041 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC2(C3CC3)CCC2)c1 ZINC000502085864 911025098 /nfs/dbraw/zinc/02/50/98/911025098.db2.gz BCFIGQAHHRITIN-UHFFFAOYSA-N -1 1 412.555 4.414 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)cc1 ZINC000502201070 911144105 /nfs/dbraw/zinc/14/41/05/911144105.db2.gz CYHCDHQUTVBJJE-DLBZAZTESA-N -1 1 400.544 4.304 20 0 HIADMM CCSCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502421751 911401486 /nfs/dbraw/zinc/40/14/86/911401486.db2.gz SEDFUJZWXDWHHC-QMMMGPOBSA-N -1 1 404.754 4.052 20 0 HIADMM Cc1ccc(-n2nc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c3c2CCC3)c(F)c1 ZINC000502685889 911725277 /nfs/dbraw/zinc/72/52/77/911725277.db2.gz HFVOLXJDJMOQDT-UHFFFAOYSA-N -1 1 417.444 4.157 20 0 HIADMM C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000502780531 911803628 /nfs/dbraw/zinc/80/36/28/911803628.db2.gz FMZNRTJTSAXDDG-FUHIMQAGSA-N -1 1 415.559 4.111 20 0 HIADMM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000502928698 911915602 /nfs/dbraw/zinc/91/56/02/911915602.db2.gz JREFNTIRYDAUJG-PXNSSMCTSA-N -1 1 416.543 4.330 20 0 HIADMM CCC[C@H]1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000502928699 911916234 /nfs/dbraw/zinc/91/62/34/911916234.db2.gz JREFNTIRYDAUJG-XLIONFOSSA-N -1 1 416.543 4.330 20 0 HIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000506280022 914881265 /nfs/dbraw/zinc/88/12/65/914881265.db2.gz FYYINJYQOVDCHY-UHFFFAOYSA-N -1 1 403.287 4.016 20 0 HIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000506453595 915053355 /nfs/dbraw/zinc/05/33/55/915053355.db2.gz UUPXATVHZUTCEE-ZIAGYGMSSA-N -1 1 412.433 4.405 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000506521475 915156145 /nfs/dbraw/zinc/15/61/45/915156145.db2.gz LTRRVXSXGGLKTL-UHFFFAOYSA-N -1 1 424.504 4.421 20 0 HIADMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000506584215 915234161 /nfs/dbraw/zinc/23/41/61/915234161.db2.gz OXTYMRIGFIMKPA-UHFFFAOYSA-N -1 1 422.535 4.434 20 0 HIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccccc2COc2ccccc2)no1 ZINC000506711970 915389239 /nfs/dbraw/zinc/38/92/39/915389239.db2.gz WAKYFDUQKBPFLG-UHFFFAOYSA-N -1 1 400.500 4.493 20 0 HIADMM CCOC(=O)C1CCN(C(=O)c2ccc(NCc3cccc([O-])c3Cl)cc2)CC1 ZINC000513440855 921808178 /nfs/dbraw/zinc/80/81/78/921808178.db2.gz YIYDUKPNWWPVGP-UHFFFAOYSA-N -1 1 416.905 4.073 20 0 HIADMM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1ccc(F)cc1OC1CCOCC1 ZINC000507545704 916302754 /nfs/dbraw/zinc/30/27/54/916302754.db2.gz FDADMRLWWAOFNQ-UHFFFAOYSA-N -1 1 413.898 4.021 20 0 HIADMM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc1Cl ZINC000507579155 916334659 /nfs/dbraw/zinc/33/46/59/916334659.db2.gz BJPGFLVSQWCXFH-UHFFFAOYSA-N -1 1 415.902 4.351 20 0 HIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(COc2ccc(F)cc2)c1 ZINC000507621166 916379706 /nfs/dbraw/zinc/37/97/06/916379706.db2.gz NHTVIJLMAAWVOK-UHFFFAOYSA-N -1 1 401.459 4.352 20 0 HIADMM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccco1 ZINC000508018801 916855669 /nfs/dbraw/zinc/85/56/69/916855669.db2.gz YOITTWMVNOPCMG-AWEZNQCLSA-N -1 1 423.865 4.227 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)COC4)cc2)c1C ZINC000508390165 917186569 /nfs/dbraw/zinc/18/65/69/917186569.db2.gz ZPUZHCBYUWEURV-UHFFFAOYSA-N -1 1 422.506 4.387 20 0 HIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)o1 ZINC000508479346 917263932 /nfs/dbraw/zinc/26/39/32/917263932.db2.gz WSTQDUMNEYJJLP-UHFFFAOYSA-N -1 1 424.950 4.209 20 0 HIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)c1 ZINC000509074737 917819775 /nfs/dbraw/zinc/81/97/75/917819775.db2.gz LIXSEFWEWTUOCY-UHFFFAOYSA-N -1 1 402.497 4.363 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)c(C)c1F ZINC000509377779 918043810 /nfs/dbraw/zinc/04/38/10/918043810.db2.gz YEPLLVVLWXLTFA-UHFFFAOYSA-N -1 1 404.438 4.453 20 0 HIADMM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc4ncccc43)c2)cn1 ZINC000509396125 918062251 /nfs/dbraw/zinc/06/22/51/918062251.db2.gz HXIWRCMJQHNXBQ-UHFFFAOYSA-N -1 1 405.479 4.415 20 0 HIADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000509452313 918105505 /nfs/dbraw/zinc/10/55/05/918105505.db2.gz SAURAEULRZWQHA-UHFFFAOYSA-N -1 1 414.310 4.005 20 0 HIADMM CSc1cc2c(cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1)OCCO2 ZINC000509590940 918238435 /nfs/dbraw/zinc/23/84/35/918238435.db2.gz ODXWRUGANQCDGH-UHFFFAOYSA-N -1 1 409.529 4.076 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000509883503 918486005 /nfs/dbraw/zinc/48/60/05/918486005.db2.gz GTJRRZRIKZPHCA-IBGZPJMESA-N -1 1 415.559 4.208 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000509923941 918523975 /nfs/dbraw/zinc/52/39/75/918523975.db2.gz JNNWGUICYDBIFR-UHFFFAOYSA-N -1 1 424.520 4.137 20 0 HIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)Nc1cccc2[nH]ccc21 ZINC000509984791 918572268 /nfs/dbraw/zinc/57/22/68/918572268.db2.gz UKVAORGUSBMYFG-UHFFFAOYSA-N -1 1 420.494 4.290 20 0 HIADMM Cc1nc([C@H]([N-]S(=O)(=O)c2csc3ccccc32)c2ccc(Cl)cc2)no1 ZINC000510044243 918614880 /nfs/dbraw/zinc/61/48/80/918614880.db2.gz QOTLVJAIAIKHRG-QGZVFWFLSA-N -1 1 419.915 4.314 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000511005581 919564996 /nfs/dbraw/zinc/56/49/96/919564996.db2.gz RRCFEPURVYWMIR-QFIPXVFZSA-N -1 1 418.522 4.202 20 0 HIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000511117251 919729176 /nfs/dbraw/zinc/72/91/76/919729176.db2.gz WYKUJVYPVXQYFS-UHFFFAOYSA-N -1 1 420.840 4.050 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)c(C)c1 ZINC000511145049 919763322 /nfs/dbraw/zinc/76/33/22/919763322.db2.gz SYCGSFVYKZZOBQ-UHFFFAOYSA-N -1 1 411.405 4.009 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)ccn3)cc2)cc1C ZINC000511143596 919763832 /nfs/dbraw/zinc/76/38/32/919763832.db2.gz HVDDGZWFQBFLHL-UHFFFAOYSA-N -1 1 415.902 4.405 20 0 HIADMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1 ZINC000511206218 919818052 /nfs/dbraw/zinc/81/80/52/919818052.db2.gz ZVFIRORTUWGDFN-UHFFFAOYSA-N -1 1 403.529 4.431 20 0 HIADMM O=C(NCCc1ccsc1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000511227320 919832850 /nfs/dbraw/zinc/83/28/50/919832850.db2.gz BJPNDWOWXFHWRO-UHFFFAOYSA-N -1 1 420.943 4.175 20 0 HIADMM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1c(Cl)cc(Cl)cc1Cl ZINC000511380473 919983890 /nfs/dbraw/zinc/98/38/90/919983890.db2.gz SFHOMNGBWMYYLO-UHFFFAOYSA-N -1 1 405.734 4.442 20 0 HIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000511392486 920000739 /nfs/dbraw/zinc/00/07/39/920000739.db2.gz VRJPKUHCZHEYHN-UHFFFAOYSA-N -1 1 407.299 4.218 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cccc(F)c4)nc3c2)cc1F ZINC000511680592 920344148 /nfs/dbraw/zinc/34/41/48/920344148.db2.gz JAAZENIGNCRYPM-UHFFFAOYSA-N -1 1 415.421 4.318 20 0 HIADMM O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000511711603 920377278 /nfs/dbraw/zinc/37/72/78/920377278.db2.gz HIYVUAIUIZNHMB-UHFFFAOYSA-N -1 1 400.887 4.071 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc4c(cc3C)OCO4)c2)c1 ZINC000511756906 920436657 /nfs/dbraw/zinc/43/66/57/920436657.db2.gz CNJMDRVYWFICPP-UHFFFAOYSA-N -1 1 424.478 4.085 20 0 HIADMM CSc1nc(C)c(CCC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(=O)[n-]1 ZINC000512025401 920800229 /nfs/dbraw/zinc/80/02/29/920800229.db2.gz QHHHLYIPBXJUKK-CQSZACIVSA-N -1 1 417.428 4.094 20 0 HIADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F)c2=O ZINC000512028076 920802178 /nfs/dbraw/zinc/80/21/78/920802178.db2.gz PDDZHURPMLBBLF-INIZCTEOSA-N -1 1 404.392 4.060 20 0 HIADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(Cc3cc(Cl)ccc3Cl)CC1)c2=O ZINC000512168583 920906525 /nfs/dbraw/zinc/90/65/25/920906525.db2.gz BSPLYRIQBXVLDE-UHFFFAOYSA-N -1 1 419.312 4.076 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000512255210 921014682 /nfs/dbraw/zinc/01/46/82/921014682.db2.gz XJJJJFAWXQCVGZ-IBGZPJMESA-N -1 1 412.509 4.417 20 0 HIADMM CN1c2ccc(S(=O)(=O)[N-]c3cc(C4CCCCCC4)n[nH]3)c3cccc(c23)C1=O ZINC000512352633 921099181 /nfs/dbraw/zinc/09/91/81/921099181.db2.gz KVDKHEXCKUTAHE-UHFFFAOYSA-N -1 1 424.526 4.392 20 0 HIADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCO1 ZINC000513730054 922050270 /nfs/dbraw/zinc/05/02/70/922050270.db2.gz IPAMQEMDSJZGHC-LAUBAEHRSA-N -1 1 416.543 4.267 20 0 HIADMM CCOc1cc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc(Cl)c1[O-] ZINC000514519399 922671663 /nfs/dbraw/zinc/67/16/63/922671663.db2.gz SPMILPBPJOLXLG-KRWDZBQOSA-N -1 1 405.878 4.439 20 0 HIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCCc2ccccc21 ZINC000514629699 922733596 /nfs/dbraw/zinc/73/35/96/922733596.db2.gz ATVJKKHSYFPNCA-UHFFFAOYSA-N -1 1 424.497 4.148 20 0 HIADMM Cc1ccc(C(=O)NCCc2ccco2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000514641114 922741433 /nfs/dbraw/zinc/74/14/33/922741433.db2.gz OUSMXVJUKQNDCT-UHFFFAOYSA-N -1 1 418.902 4.015 20 0 HIADMM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000514641062 922742113 /nfs/dbraw/zinc/74/21/13/922742113.db2.gz BWEAKCHHYPMXFP-DJJJIMSYSA-N -1 1 408.470 4.074 20 0 HIADMM CC(C)c1cccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000514640996 922742203 /nfs/dbraw/zinc/74/22/03/922742203.db2.gz IVXNDDSJIVXMBV-UHFFFAOYSA-N -1 1 401.315 4.034 20 0 HIADMM CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000514757079 922786878 /nfs/dbraw/zinc/78/68/78/922786878.db2.gz GCXDJFWEQHMGQH-UHFFFAOYSA-N -1 1 421.408 4.130 20 0 HIADMM O=C(NCc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000515325962 923051222 /nfs/dbraw/zinc/05/12/22/923051222.db2.gz MELVFVHAWGFHDT-UHFFFAOYSA-N -1 1 416.449 4.355 20 0 HIADMM COCc1ccccc1CS(=O)(=O)[N-]c1ccc(SCc2ccccc2)cn1 ZINC000515327390 923052475 /nfs/dbraw/zinc/05/24/75/923052475.db2.gz PLZSFNFPUBFDRH-UHFFFAOYSA-N -1 1 414.552 4.462 20 0 HIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@H](c2cccc(F)c2)C1 ZINC000515562694 923179936 /nfs/dbraw/zinc/17/99/36/923179936.db2.gz SKHVUHONWLOFAK-ZDUSSCGKSA-N -1 1 415.262 4.472 20 0 HIADMM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000515590893 923203290 /nfs/dbraw/zinc/20/32/90/923203290.db2.gz DIFYKAKEQCWLEO-ZDUSSCGKSA-N -1 1 424.950 4.376 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)cc1F ZINC000515629945 923230550 /nfs/dbraw/zinc/23/05/50/923230550.db2.gz QJOXRLQRSVYSGM-GJZGRUSLSA-N -1 1 418.534 4.361 20 0 HIADMM CCc1csc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)n1 ZINC000515683559 923268937 /nfs/dbraw/zinc/26/89/37/923268937.db2.gz OGQKAQYAZRBXHH-UHFFFAOYSA-N -1 1 419.503 4.206 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)c(C)c1 ZINC000515691230 923275059 /nfs/dbraw/zinc/27/50/59/923275059.db2.gz WWFNPUALHLSBHV-UHFFFAOYSA-N -1 1 424.950 4.152 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1C ZINC000515695674 923278524 /nfs/dbraw/zinc/27/85/24/923278524.db2.gz PPQRNZSSNJUIRE-KRWDZBQOSA-N -1 1 416.543 4.209 20 0 HIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1C ZINC000515695293 923279208 /nfs/dbraw/zinc/27/92/08/923279208.db2.gz GMCVWJIZQTVBKD-QGZVFWFLSA-N -1 1 416.543 4.127 20 0 HIADMM Cc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)c1 ZINC000516551682 923792932 /nfs/dbraw/zinc/79/29/32/923792932.db2.gz MZLCBMQBLPHGFS-UHFFFAOYSA-N -1 1 410.495 4.371 20 0 HIADMM COc1cc(-c2noc(-c3cc4ccccc4n3C)n2)cc(Br)c1[O-] ZINC000516707013 923856218 /nfs/dbraw/zinc/85/62/18/923856218.db2.gz VWPFTHXDNKFITJ-UHFFFAOYSA-N -1 1 400.232 4.372 20 0 HIADMM O=S(=O)([N-]Cc1cccc(COCC(F)(F)F)c1)c1cc(Cl)ccc1F ZINC000516985037 923952392 /nfs/dbraw/zinc/95/23/92/923952392.db2.gz AVWILCRHJHUHHD-UHFFFAOYSA-N -1 1 411.804 4.037 20 0 HIADMM CCOc1cc(-c2noc([C@@H]3Cc4ccccc4CN3C(C)=O)n2)cc(Cl)c1[O-] ZINC000516996551 923958411 /nfs/dbraw/zinc/95/84/11/923958411.db2.gz SLINCXXXFGZQQF-KRWDZBQOSA-N -1 1 413.861 4.140 20 0 HIADMM COCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1Cl ZINC000517122635 924010849 /nfs/dbraw/zinc/01/08/49/924010849.db2.gz UNJNBAPUMFJVOG-UHFFFAOYSA-N -1 1 410.706 4.473 20 0 HIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nc(-c3cccnc3)no2)c1 ZINC000517607668 926715987 /nfs/dbraw/zinc/71/59/87/926715987.db2.gz VPSAJCRNTGLQJQ-UHFFFAOYSA-N -1 1 412.858 4.253 20 0 HIADMM O=S(=O)([N-]c1ccc(Cc2nc(C3CCCC3)no2)cc1)c1ccc(F)cc1 ZINC000517614232 926724324 /nfs/dbraw/zinc/72/43/24/926724324.db2.gz BUQGFKAUBPRHKG-UHFFFAOYSA-N -1 1 401.463 4.258 20 0 HIADMM COc1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000518635812 927394498 /nfs/dbraw/zinc/39/44/98/927394498.db2.gz GXHGICSQRAPBEF-UHFFFAOYSA-N -1 1 420.506 4.046 20 0 HIADMM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(C2CC2)no1 ZINC000518749756 927474637 /nfs/dbraw/zinc/47/46/37/927474637.db2.gz PWVSBNIDOOBFQX-AWEZNQCLSA-N -1 1 404.319 4.071 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000518821975 927518441 /nfs/dbraw/zinc/51/84/41/927518441.db2.gz PVTQOXBMSCUALH-INIZCTEOSA-N -1 1 420.513 4.150 20 0 HIADMM Cc1nc(C2([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)CCCCCC2)no1 ZINC000519109217 927779189 /nfs/dbraw/zinc/77/91/89/927779189.db2.gz CEHSJVCRMITZBU-UHFFFAOYSA-N -1 1 418.346 4.354 20 0 HIADMM O=S(=O)([N-]c1ccc(OCc2ccncc2)cc1)c1ccccc1Br ZINC000519217395 927831790 /nfs/dbraw/zinc/83/17/90/927831790.db2.gz FGAFPGJRJAYRNU-UHFFFAOYSA-N -1 1 419.300 4.224 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)c(Cl)c2)c(C)c1 ZINC000519323964 927881008 /nfs/dbraw/zinc/88/10/08/927881008.db2.gz KRYBZAFQGUSFOE-UHFFFAOYSA-N -1 1 406.935 4.384 20 0 HIADMM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)ccc21 ZINC000519492067 927987124 /nfs/dbraw/zinc/98/71/24/927987124.db2.gz IJHAVCDHIOCUGT-UHFFFAOYSA-N -1 1 411.527 4.373 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1C ZINC000519993028 928219779 /nfs/dbraw/zinc/21/97/79/928219779.db2.gz JRPKDMGQFNTHTL-OAHLLOKOSA-N -1 1 400.544 4.285 20 0 HIADMM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1c(Cl)cccc1Cl ZINC000520028377 928250856 /nfs/dbraw/zinc/25/08/56/928250856.db2.gz SNQQXMLMSSEIPL-HZPDHXFCSA-N -1 1 404.290 4.331 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccncc3)cc2)c1C ZINC000520038083 928260554 /nfs/dbraw/zinc/26/05/54/928260554.db2.gz BZPHCAVJBQKHDR-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM COc1ccc2c(c1)CCN2C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000520180491 928370884 /nfs/dbraw/zinc/37/08/84/928370884.db2.gz KLPVPIWXMMADEM-UHFFFAOYSA-N -1 1 422.506 4.007 20 0 HIADMM CN(CC1CCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000520372466 928528311 /nfs/dbraw/zinc/52/83/11/928528311.db2.gz RGQGTENRCAVVEX-UHFFFAOYSA-N -1 1 410.898 4.152 20 0 HIADMM O=C(NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cncc([O-])c1 ZINC000520395596 928545755 /nfs/dbraw/zinc/54/57/55/928545755.db2.gz QZJHGBGIKWBUKK-UHFFFAOYSA-N -1 1 418.884 4.266 20 0 HIADMM O=S(=O)([N-]c1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 ZINC000520405132 928549633 /nfs/dbraw/zinc/54/96/33/928549633.db2.gz HVOSBYKBOXHLKD-INIZCTEOSA-N -1 1 401.406 4.064 20 0 HIADMM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1 ZINC000520466069 928582873 /nfs/dbraw/zinc/58/28/73/928582873.db2.gz CYEIVGRBRVGIIG-INIZCTEOSA-N -1 1 404.532 4.049 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000520636136 928691107 /nfs/dbraw/zinc/69/11/07/928691107.db2.gz OEUYENCJPAHJMS-UHFFFAOYSA-N -1 1 410.662 4.154 20 0 HIADMM Cc1ccccc1C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000520734361 928784309 /nfs/dbraw/zinc/78/43/09/928784309.db2.gz UEMKPGNIFFXJPS-GOSISDBHSA-N -1 1 408.523 4.157 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3cccnc3)cc2)cc1C ZINC000520980256 928899913 /nfs/dbraw/zinc/89/99/13/928899913.db2.gz PRKMIBQAHLVGPU-GOSISDBHSA-N -1 1 423.538 4.332 20 0 HIADMM CC(C)CC(=O)Nc1ccc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000521039472 928953979 /nfs/dbraw/zinc/95/39/79/928953979.db2.gz VGEANTAJXMJCDO-UHFFFAOYSA-N -1 1 413.421 4.161 20 0 HIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)ccc1OC(C)C ZINC000521338167 929153295 /nfs/dbraw/zinc/15/32/95/929153295.db2.gz QZYKIZNTQVGZRQ-LJQANCHMSA-N -1 1 405.516 4.141 20 0 HIADMM C[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000521345324 929159931 /nfs/dbraw/zinc/15/99/31/929159931.db2.gz UJFNPLGCYZARRN-AEFFLSMTSA-N -1 1 418.534 4.112 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)c2cccnc12 ZINC000521423496 929214815 /nfs/dbraw/zinc/21/48/15/929214815.db2.gz GRPSEORGHZEGPW-UHFFFAOYSA-N -1 1 406.891 4.485 20 0 HIADMM C[C@@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)c2)C1 ZINC000521728621 929393592 /nfs/dbraw/zinc/39/35/92/929393592.db2.gz JDOBHWJBWPXFCM-DNVCBOLYSA-N -1 1 414.527 4.077 20 0 HIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCC3)cc1 ZINC000521801297 929462450 /nfs/dbraw/zinc/46/24/50/929462450.db2.gz ZHWUIINLLOABDN-UHFFFAOYSA-N -1 1 402.907 4.044 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(C(F)F)cc1 ZINC000521936469 929575366 /nfs/dbraw/zinc/57/53/66/929575366.db2.gz PMTAMVIGYRDDDH-UHFFFAOYSA-N -1 1 401.341 4.413 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H]3CCc4ccccc43)cc2)cc1 ZINC000521984198 929611571 /nfs/dbraw/zinc/61/15/71/929611571.db2.gz SZIMNBWAPHFIMS-FQEVSTJZSA-N -1 1 420.534 4.256 20 0 HIADMM C[C@H](Cc1cccs1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000524502272 929649346 /nfs/dbraw/zinc/64/93/46/929649346.db2.gz WFCVKWVZJOBDRP-CQSZACIVSA-N -1 1 418.515 4.049 20 0 HIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)NCC1(C)CCCC1 ZINC000524571724 929694381 /nfs/dbraw/zinc/69/43/81/929694381.db2.gz PSQRNJCNPYLEKV-UHFFFAOYSA-N -1 1 415.559 4.209 20 0 HIADMM CCC(CC)[C@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)c1ccccc1 ZINC000524623708 929732621 /nfs/dbraw/zinc/73/26/21/929732621.db2.gz NEXSNPCQOIDPTH-FQEVSTJZSA-N -1 1 419.547 4.366 20 0 HIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@H](Cc2ccccc2)C1 ZINC000524654194 929767203 /nfs/dbraw/zinc/76/72/03/929767203.db2.gz TVPXNHQYQZBDRS-HXUWFJFHSA-N -1 1 420.534 4.192 20 0 HIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(-c2ccccc2)cc1 ZINC000524769055 929823560 /nfs/dbraw/zinc/82/35/60/929823560.db2.gz NSDJORPRLIBVAY-UHFFFAOYSA-N -1 1 412.511 4.300 20 0 HIADMM CC[C@@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000524847833 929856198 /nfs/dbraw/zinc/85/61/98/929856198.db2.gz MKFVSUKKNWWXSC-BEFAXECRSA-N -1 1 404.507 4.325 20 0 HIADMM COc1cc(NC(=O)NC2(c3ccccc3)CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000524896453 929877436 /nfs/dbraw/zinc/87/74/36/929877436.db2.gz XNDJIYDKTWORSR-UHFFFAOYSA-N -1 1 417.531 4.048 20 0 HIADMM CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000524898563 929879378 /nfs/dbraw/zinc/87/93/78/929879378.db2.gz UOPRSNULNRAHEJ-GOSISDBHSA-N -1 1 405.520 4.072 20 0 HIADMM CC[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000524927593 929894689 /nfs/dbraw/zinc/89/46/89/929894689.db2.gz APZZWXITMDCFQZ-PKOBYXMFSA-N -1 1 415.559 4.255 20 0 HIADMM Cc1ccc(NC(=O)c2ccncc2F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000524956827 929919460 /nfs/dbraw/zinc/91/94/60/929919460.db2.gz RLQDADRLXOGGHR-UHFFFAOYSA-N -1 1 419.865 4.236 20 0 HIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1)c1ccccc1 ZINC000525020197 929980884 /nfs/dbraw/zinc/98/08/84/929980884.db2.gz SHHVWTCQXMSZJJ-UHFFFAOYSA-N -1 1 420.412 4.181 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000525093654 930030528 /nfs/dbraw/zinc/03/05/28/930030528.db2.gz ORTXTLWMOMDYPC-UHFFFAOYSA-N -1 1 420.513 4.440 20 0 HIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000525202348 930085059 /nfs/dbraw/zinc/08/50/59/930085059.db2.gz DFOXGPKKLWLXKQ-UHFFFAOYSA-N -1 1 410.477 4.013 20 0 HIADMM O=C(Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1cncc([O-])c1 ZINC000525262625 930116717 /nfs/dbraw/zinc/11/67/17/930116717.db2.gz TXHGYPZCMAGOJZ-UHFFFAOYSA-N -1 1 423.270 4.200 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc2ncccc2c1 ZINC000525533611 930307272 /nfs/dbraw/zinc/30/72/72/930307272.db2.gz NFWHZAZPHWZYNF-UHFFFAOYSA-N -1 1 420.372 4.104 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)[C@@H]3C)ccc2C)c1 ZINC000525608077 930360023 /nfs/dbraw/zinc/36/00/23/930360023.db2.gz HBKAJKKIIWSDCF-AEFFLSMTSA-N -1 1 400.544 4.365 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)S[C@H](C)C3)cc2)c1C ZINC000525719045 930414449 /nfs/dbraw/zinc/41/44/49/930414449.db2.gz RHZUFYNZYAIHMR-HZPDHXFCSA-N -1 1 418.584 4.070 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCC(C1CC1)C1CC1 ZINC000525732543 930419552 /nfs/dbraw/zinc/41/95/52/930419552.db2.gz XSSBLYVMGNMYGG-UHFFFAOYSA-N -1 1 416.518 4.101 20 0 HIADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000525771401 930438879 /nfs/dbraw/zinc/43/88/79/930438879.db2.gz LERCUHLLKUHJHP-SFTDATJTSA-N -1 1 416.518 4.325 20 0 HIADMM COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc(Cl)c1[O-] ZINC000527196235 930610241 /nfs/dbraw/zinc/61/02/41/930610241.db2.gz ADIJJTZROGJDQL-UHFFFAOYSA-N -1 1 404.831 4.159 20 0 HIADMM C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000527473513 930664371 /nfs/dbraw/zinc/66/43/71/930664371.db2.gz QHTFOVFJKYQOMY-VXGBXAGGSA-N -1 1 403.276 4.030 20 0 HIADMM Cc1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)C[C@@H](C)O2 ZINC000530636962 930782165 /nfs/dbraw/zinc/78/21/65/930782165.db2.gz KKIQCEFFRSGHGQ-QGZVFWFLSA-N -1 1 422.506 4.224 20 0 HIADMM O=C(CCC1CCC1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000530680351 930797589 /nfs/dbraw/zinc/79/75/89/930797589.db2.gz WGCMLIJENZTMSP-UHFFFAOYSA-N -1 1 408.907 4.365 20 0 HIADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000530856216 930841413 /nfs/dbraw/zinc/84/14/13/930841413.db2.gz YXKHJUMNUURFDR-AWEZNQCLSA-N -1 1 424.238 4.040 20 0 HIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc4nc([C@H]5CCCO5)[nH]c4c3)c2n1 ZINC000531009595 930883463 /nfs/dbraw/zinc/88/34/63/930883463.db2.gz PMGMWEPGVCUSLR-GOSISDBHSA-N -1 1 408.483 4.072 20 0 HIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000531099180 930918856 /nfs/dbraw/zinc/91/88/56/930918856.db2.gz NQWHWGTVHLVFRJ-UHFFFAOYSA-N -1 1 401.470 4.355 20 0 HIADMM CCc1ccc([C@H](NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C(C)C)cc1 ZINC000531101842 930919611 /nfs/dbraw/zinc/91/96/11/930919611.db2.gz YCHODAVDFKNYQJ-HXUWFJFHSA-N -1 1 419.547 4.148 20 0 HIADMM O=C(NC1(c2ccc(F)cc2)CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000531463832 931067462 /nfs/dbraw/zinc/06/74/62/931067462.db2.gz VMDPDALDGQXFHV-UHFFFAOYSA-N -1 1 410.470 4.046 20 0 HIADMM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000531486699 931074077 /nfs/dbraw/zinc/07/40/77/931074077.db2.gz OUSQFWQGOSOLHH-NSHDSACASA-N -1 1 403.847 4.176 20 0 HIADMM O=C(CC1(CC(=O)Nc2ccc(F)cc2O)CCCC1)Nc1ccc(F)cc1[O-] ZINC000531756464 931184196 /nfs/dbraw/zinc/18/41/96/931184196.db2.gz QJEFPNWBMVCRJZ-UHFFFAOYSA-N -1 1 404.413 4.294 20 0 HIADMM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)ccc21 ZINC000532033073 931292425 /nfs/dbraw/zinc/29/24/25/931292425.db2.gz BQJULBMOXWIMCB-UHFFFAOYSA-N -1 1 400.887 4.203 20 0 HIADMM COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3[O-])C2)c2ccccc12 ZINC000532266804 931376776 /nfs/dbraw/zinc/37/67/76/931376776.db2.gz VJLCCCYYSGSDRS-HNNXBMFYSA-N -1 1 422.456 4.184 20 0 HIADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccc2[nH]ccc21 ZINC000532403644 931423559 /nfs/dbraw/zinc/42/35/59/931423559.db2.gz SBIKQPHSOSQTRA-UHFFFAOYSA-N -1 1 423.469 4.038 20 0 HIADMM O=C(Nc1ccc(F)cc1[O-])C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000532622182 931556728 /nfs/dbraw/zinc/55/67/28/931556728.db2.gz IYPAJFXYBPZQCB-UHFFFAOYSA-N -1 1 417.790 4.454 20 0 HIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)c2)n1 ZINC000532631101 931561477 /nfs/dbraw/zinc/56/14/77/931561477.db2.gz ZJFNIFCYPXMNAK-UHFFFAOYSA-N -1 1 411.487 4.085 20 0 HIADMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3cc(-c4ccncc4)n[nH]3)cc2s1 ZINC000532856154 931666912 /nfs/dbraw/zinc/66/69/12/931666912.db2.gz FUAKSBNSRQSIHO-UHFFFAOYSA-N -1 1 413.528 4.180 20 0 HIADMM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1Cl ZINC000533888088 932082303 /nfs/dbraw/zinc/08/23/03/932082303.db2.gz QRGFGTALCOPAQU-UHFFFAOYSA-N -1 1 416.886 4.402 20 0 HIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C1CCC(F)(F)CC1 ZINC000533911120 932094847 /nfs/dbraw/zinc/09/48/47/932094847.db2.gz BCIZCZNBBDIIAZ-UHFFFAOYSA-N -1 1 412.433 4.391 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC2CCC(F)(F)CC2)c1 ZINC000534204666 932329518 /nfs/dbraw/zinc/32/95/18/932329518.db2.gz IADZTGXLSGENGW-UHFFFAOYSA-N -1 1 422.497 4.412 20 0 HIADMM CC(C)(c1nnc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)s1)c1ccccc1 ZINC000534418302 932437215 /nfs/dbraw/zinc/43/72/15/932437215.db2.gz BWWKVHIXGHHZJC-AWEZNQCLSA-N -1 1 400.529 4.424 20 0 HIADMM CCc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000534427786 932444457 /nfs/dbraw/zinc/44/44/57/932444457.db2.gz VIJIJNRVZWFZIE-UHFFFAOYSA-N -1 1 413.499 4.215 20 0 HIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)cc1CC ZINC000534498927 932533740 /nfs/dbraw/zinc/53/37/40/932533740.db2.gz PTJFTSLHXYFBTA-UHFFFAOYSA-N -1 1 406.935 4.158 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)c1 ZINC000534620010 932601170 /nfs/dbraw/zinc/60/11/70/932601170.db2.gz IGWGSSHCVFOWRV-UHFFFAOYSA-N -1 1 413.524 4.057 20 0 HIADMM COc1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)sc1Br ZINC000534767071 932749137 /nfs/dbraw/zinc/74/91/37/932749137.db2.gz YIVTYRRIHIMIHQ-UHFFFAOYSA-N -1 1 413.684 4.210 20 0 HIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1cnn(-c2ccccc2F)c1 ZINC000534942133 932849674 /nfs/dbraw/zinc/84/96/74/932849674.db2.gz QGDVQTYTAQWIFW-UHFFFAOYSA-N -1 1 419.787 4.484 20 0 HIADMM Cc1c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cnn1-c1ccccn1 ZINC000534978787 932872964 /nfs/dbraw/zinc/87/29/64/932872964.db2.gz MTOZANBPNKHGCZ-UHFFFAOYSA-N -1 1 416.812 4.049 20 0 HIADMM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(Br)cc1C(F)(F)F ZINC000535054070 932892660 /nfs/dbraw/zinc/89/26/60/932892660.db2.gz CVDHVHQGKDXSPU-UHFFFAOYSA-N -1 1 414.174 4.113 20 0 HIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cnc(-c2ccccc2)s1 ZINC000535084508 932900787 /nfs/dbraw/zinc/90/07/87/932900787.db2.gz LCXZTSAILXNCNB-UHFFFAOYSA-N -1 1 417.494 4.247 20 0 HIADMM CC1(C)CCC[C@@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000535214359 933020545 /nfs/dbraw/zinc/02/05/45/933020545.db2.gz DSUHKQXATDBMCE-QGZVFWFLSA-N -1 1 400.544 4.320 20 0 HIADMM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000535333873 933078014 /nfs/dbraw/zinc/07/80/14/933078014.db2.gz XTTHHWIUQQREKA-SECBINFHSA-N -1 1 422.753 4.104 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](c3cccnc3)C3CC3)c2)cc1 ZINC000535558617 933243016 /nfs/dbraw/zinc/24/30/16/933243016.db2.gz BQNYFQGXZCQPLS-QFIPXVFZSA-N -1 1 421.522 4.072 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000535560465 933243408 /nfs/dbraw/zinc/24/34/08/933243408.db2.gz WMOUITHOPFQDDL-NRFANRHFSA-N -1 1 406.530 4.471 20 0 HIADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000535656597 933300056 /nfs/dbraw/zinc/30/00/56/933300056.db2.gz ZHNVXMZSDNIBJC-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)ccc1F ZINC000535737742 933372350 /nfs/dbraw/zinc/37/23/50/933372350.db2.gz GHCWHBZVIHJPDX-UHFFFAOYSA-N -1 1 405.495 4.330 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCSCC(C)C)c1 ZINC000535952806 933518048 /nfs/dbraw/zinc/51/80/48/933518048.db2.gz FFXIKTWQJUWALC-UHFFFAOYSA-N -1 1 420.600 4.223 20 0 HIADMM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000536086685 933632889 /nfs/dbraw/zinc/63/28/89/933632889.db2.gz BXSRFMSEWONZBM-LLVKDONJSA-N -1 1 405.825 4.299 20 0 HIADMM Cc1c(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cnn1C(C)C ZINC000536145330 933686071 /nfs/dbraw/zinc/68/60/71/933686071.db2.gz QMIQQXZSZSOMNY-UHFFFAOYSA-N -1 1 412.515 4.134 20 0 HIADMM COCCC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000537593491 938330829 /nfs/dbraw/zinc/33/08/29/938330829.db2.gz ASDBKYAQRCQWOB-CQSZACIVSA-N -1 1 410.923 4.142 20 0 HIADMM O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc(=O)c2ccccc2[n-]1 ZINC000537688532 938354824 /nfs/dbraw/zinc/35/48/24/938354824.db2.gz SJGZVFXQIJKNNL-UHFFFAOYSA-N -1 1 422.313 4.311 20 0 HIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)cc1 ZINC000537749274 938368472 /nfs/dbraw/zinc/36/84/72/938368472.db2.gz VROZOMNLNNYOSJ-UHFFFAOYSA-N -1 1 414.552 4.364 20 0 HIADMM CC1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])CCCC1 ZINC000537780369 938375218 /nfs/dbraw/zinc/37/52/18/938375218.db2.gz NYNAPIPGHJWDCT-UHFFFAOYSA-N -1 1 408.907 4.365 20 0 HIADMM COCCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1Cl ZINC000538014854 938462586 /nfs/dbraw/zinc/46/25/86/938462586.db2.gz FOOIRGDBNHWMQK-UHFFFAOYSA-N -1 1 418.298 4.022 20 0 HIADMM CCCOc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1OCCC ZINC000538051085 938484185 /nfs/dbraw/zinc/48/41/85/938484185.db2.gz AZAROSUMSMICSU-UHFFFAOYSA-N -1 1 424.494 4.027 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)cc1 ZINC000538137075 938516324 /nfs/dbraw/zinc/51/63/24/938516324.db2.gz PRAPLFGSKAXIHH-UHFFFAOYSA-N -1 1 418.902 4.261 20 0 HIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)cc1Cl ZINC000538448434 938624321 /nfs/dbraw/zinc/62/43/21/938624321.db2.gz ONNYNVNMTRUMOE-UHFFFAOYSA-N -1 1 423.918 4.134 20 0 HIADMM C[C@H]1CC[C@@H](C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])C1 ZINC000538460254 938627265 /nfs/dbraw/zinc/62/72/65/938627265.db2.gz YIUVCVPKTBJDSA-QWHCGFSZSA-N -1 1 408.907 4.221 20 0 HIADMM Cc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1F ZINC000538463636 938628096 /nfs/dbraw/zinc/62/80/96/938628096.db2.gz BWZQVKGIFXSMEU-UHFFFAOYSA-N -1 1 416.449 4.255 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(F)c1 ZINC000538583940 938655433 /nfs/dbraw/zinc/65/54/33/938655433.db2.gz NSVRUPKRLQYZTB-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000538838158 938723012 /nfs/dbraw/zinc/72/30/12/938723012.db2.gz HSSDLEPVADIKOY-UHFFFAOYSA-N -1 1 413.433 4.445 20 0 HIADMM CCc1nc2ccccc2n1C1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000539023907 938772240 /nfs/dbraw/zinc/77/22/40/938772240.db2.gz RRKIWQZVKJGKRM-UHFFFAOYSA-N -1 1 421.545 4.178 20 0 HIADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000539110872 938804546 /nfs/dbraw/zinc/80/45/46/938804546.db2.gz VLCVKYMSXLQYPL-UHFFFAOYSA-N -1 1 404.507 4.294 20 0 HIADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)cc1 ZINC000539117040 938805276 /nfs/dbraw/zinc/80/52/76/938805276.db2.gz IJSJUSJWUVORLF-UHFFFAOYSA-N -1 1 422.506 4.193 20 0 HIADMM CC(C)Cn1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c2ccccc21 ZINC000539151945 938811933 /nfs/dbraw/zinc/81/19/33/938811933.db2.gz IERNUAJUXFEAJZ-UHFFFAOYSA-N -1 1 403.479 4.060 20 0 HIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C4(C(=O)OC)CC4)cc3)cc21 ZINC000539548456 938878296 /nfs/dbraw/zinc/87/82/96/938878296.db2.gz ORUNRPMIWPFGEH-UHFFFAOYSA-N -1 1 412.511 4.057 20 0 HIADMM CCCc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000539579589 938882676 /nfs/dbraw/zinc/88/26/76/938882676.db2.gz YQXGKTUUNOQEDJ-UHFFFAOYSA-N -1 1 401.513 4.149 20 0 HIADMM CC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(F)c1 ZINC000539688624 938902187 /nfs/dbraw/zinc/90/21/87/938902187.db2.gz IOWOFONQFRIGSU-UHFFFAOYSA-N -1 1 412.442 4.081 20 0 HIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC)c2)c2ccccc12 ZINC000563565313 945216178 /nfs/dbraw/zinc/21/61/78/945216178.db2.gz PQYIJIRCDDYXRO-UHFFFAOYSA-N -1 1 412.511 4.131 20 0 HIADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)c2cccnc12 ZINC000539804018 938938407 /nfs/dbraw/zinc/93/84/07/938938407.db2.gz AIHUKMPXYFVILM-UHFFFAOYSA-N -1 1 411.527 4.016 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNc2ccc(OC(F)F)cn2)cc1 ZINC000539868616 938961804 /nfs/dbraw/zinc/96/18/04/938961804.db2.gz NGXDVGDQZCWHEL-UHFFFAOYSA-N -1 1 423.416 4.235 20 0 HIADMM CCN(CC)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1Cl ZINC000780372134 939112166 /nfs/dbraw/zinc/11/21/66/939112166.db2.gz BLAVYCQWOHUNJA-RBUKOAKNSA-N -1 1 409.958 4.056 20 0 HIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000540247607 939164862 /nfs/dbraw/zinc/16/48/62/939164862.db2.gz GVEHDQJIIOUKJN-UHFFFAOYSA-N -1 1 420.437 4.168 20 0 HIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCCCC3)c2)cc1 ZINC000540293632 939185207 /nfs/dbraw/zinc/18/52/07/939185207.db2.gz REZOIFIOMYQYIU-MHZLTWQESA-N -1 1 421.584 4.215 20 0 HIADMM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(C)c3Cl)n2)ccc1F ZINC000540517607 939284794 /nfs/dbraw/zinc/28/47/94/939284794.db2.gz VRIXDJLXZGNAQH-LBPRGKRZSA-N -1 1 409.870 4.185 20 0 HIADMM Cc1ccc(NC(=O)[C@H]2CCO[C@@H](C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000540706090 939344421 /nfs/dbraw/zinc/34/44/21/939344421.db2.gz GTKWRMODXGQEAF-GJZGRUSLSA-N -1 1 422.934 4.203 20 0 HIADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C2)C1 ZINC000541045627 939440890 /nfs/dbraw/zinc/44/08/90/939440890.db2.gz NQTHUEIPKDTEHI-KSFYIVLOSA-N -1 1 416.518 4.279 20 0 HIADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000541303038 939490179 /nfs/dbraw/zinc/49/01/79/939490179.db2.gz JSHCDZHVGMHGFK-UHFFFAOYSA-N -1 1 423.853 4.034 20 0 HIADMM CC(C)COc1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000541307436 939490441 /nfs/dbraw/zinc/49/04/41/939490441.db2.gz SQKNRHNJNDBHKK-UHFFFAOYSA-N -1 1 404.463 4.457 20 0 HIADMM O=C(Nc1cnc2c(c1)CCCC2)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000542070046 939702401 /nfs/dbraw/zinc/70/24/01/939702401.db2.gz NDWBABARIZEMOC-UHFFFAOYSA-N -1 1 407.495 4.014 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCCOC(C)C)cc2)cc1C ZINC000542182508 939747818 /nfs/dbraw/zinc/74/78/18/939747818.db2.gz MCZWJUZSYLMEII-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])cc1Cl ZINC000542861053 939863707 /nfs/dbraw/zinc/86/37/07/939863707.db2.gz DXDNQXLZZNOTQX-UHFFFAOYSA-N -1 1 418.298 4.210 20 0 HIADMM COc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc(OC)c1C(C)C ZINC000543164272 939982630 /nfs/dbraw/zinc/98/26/30/939982630.db2.gz LLUHLVPCWGZKIE-UHFFFAOYSA-N -1 1 415.458 4.272 20 0 HIADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000543389722 940049267 /nfs/dbraw/zinc/04/92/67/940049267.db2.gz RWZKPAFCQIADCJ-MRXNPFEDSA-N -1 1 402.491 4.055 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCC3)c3c2cccc3F)c1 ZINC000543535327 940097819 /nfs/dbraw/zinc/09/78/19/940097819.db2.gz WXZPVKSYEAZAGV-UHFFFAOYSA-N -1 1 421.428 4.162 20 0 HIADMM CO[C@](C)(c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)n1)C1CC1 ZINC000563784280 945301576 /nfs/dbraw/zinc/30/15/76/945301576.db2.gz BWGNJIMLPBIHHQ-NRFANRHFSA-N -1 1 413.499 4.117 20 0 HIADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)C2)C1 ZINC000543832357 940202219 /nfs/dbraw/zinc/20/22/19/940202219.db2.gz JNMFNNCWCSNVAY-ZHRRBRCNSA-N -1 1 416.518 4.279 20 0 HIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1 ZINC000543832700 940202403 /nfs/dbraw/zinc/20/24/03/940202403.db2.gz JYZNKYMBJIKFKL-SBUREZEXSA-N -1 1 412.555 4.448 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCCCOC(C)C)c2)c1 ZINC000544040741 940307426 /nfs/dbraw/zinc/30/74/26/940307426.db2.gz JXMVWWGVXUJWIV-UHFFFAOYSA-N -1 1 418.559 4.039 20 0 HIADMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000544074312 940318463 /nfs/dbraw/zinc/31/84/63/940318463.db2.gz MUVAYQWXANQGEV-UHFFFAOYSA-N -1 1 413.359 4.253 20 0 HIADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)cc1Cl ZINC000544098236 940326481 /nfs/dbraw/zinc/32/64/81/940326481.db2.gz BZCZZBNYWWTCJO-SNVBAGLBSA-N -1 1 418.298 4.381 20 0 HIADMM C[C@@H](c1ccco1)N(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)C1CC1 ZINC000544388952 940408633 /nfs/dbraw/zinc/40/86/33/940408633.db2.gz BPZBODIPSKLILP-NSHDSACASA-N -1 1 401.260 4.249 20 0 HIADMM Cc1cc(C(F)(F)F)nc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)n1 ZINC000544395995 940411457 /nfs/dbraw/zinc/41/14/57/940411457.db2.gz LWPPHOVQQWSAKF-UHFFFAOYSA-N -1 1 422.432 4.217 20 0 HIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 ZINC000544556501 940477808 /nfs/dbraw/zinc/47/78/08/940477808.db2.gz RPZGWHCSWYTTRK-UHFFFAOYSA-N -1 1 409.442 4.196 20 0 HIADMM CC(C)(C)OC(=O)c1ccc(Br)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000544642569 940497058 /nfs/dbraw/zinc/49/70/58/940497058.db2.gz GGINAFWOTBCGID-UHFFFAOYSA-N -1 1 418.334 4.267 20 0 HIADMM Cc1[nH]nc([N-]S(=O)(=O)Cc2ccccc2)c1-c1cccc(Br)c1 ZINC000544667646 940500462 /nfs/dbraw/zinc/50/04/62/940500462.db2.gz PAXXDFBQWOACRX-UHFFFAOYSA-N -1 1 406.305 4.090 20 0 HIADMM CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3cc(=O)n4[n-]cnc4n3)cc2)cc1 ZINC000544713730 940506191 /nfs/dbraw/zinc/50/61/91/940506191.db2.gz NNZNQZLCPHUIOF-UHFFFAOYSA-N -1 1 417.469 4.150 20 0 HIADMM C[C@H](Cc1ccsc1)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544889555 940522115 /nfs/dbraw/zinc/52/21/15/940522115.db2.gz CDODYXLMVBYOAA-OAHLLOKOSA-N -1 1 415.540 4.302 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCc2ccccc2CC1 ZINC000544889410 940522128 /nfs/dbraw/zinc/52/21/28/940522128.db2.gz FOYMAOUPIPNBKW-UHFFFAOYSA-N -1 1 421.522 4.120 20 0 HIADMM Cn1cccc1[C@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544889903 940522162 /nfs/dbraw/zinc/52/21/62/940522162.db2.gz JZDPFRHOQPTGRZ-OAQYLSRUSA-N -1 1 424.526 4.195 20 0 HIADMM Cc1ccc(C)c(SCc2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)c1 ZINC000544903961 940523485 /nfs/dbraw/zinc/52/34/85/940523485.db2.gz NIDPYRDQJKVUIA-ZDUSSCGKSA-N -1 1 409.558 4.080 20 0 HIADMM COc1ccccc1Cc1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000544931249 940526347 /nfs/dbraw/zinc/52/63/47/940526347.db2.gz IZVPRPCMSSVAHB-UHFFFAOYSA-N -1 1 421.478 4.137 20 0 HIADMM CCOc1cc(C(=O)NCCc2nc3ccccc3n2C(F)F)cc(Cl)c1[O-] ZINC000545148216 940551024 /nfs/dbraw/zinc/55/10/24/940551024.db2.gz HSIMDNSIWBRYTD-UHFFFAOYSA-N -1 1 409.820 4.162 20 0 HIADMM CCOc1cc(C(=O)N(Cc2ccccc2OC)C[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000545170120 940553760 /nfs/dbraw/zinc/55/37/60/940553760.db2.gz QMXNCWFIHLBRSE-QGZVFWFLSA-N -1 1 419.905 4.274 20 0 HIADMM CCOc1cc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000545170144 940554166 /nfs/dbraw/zinc/55/41/66/940554166.db2.gz QYELJYBUCNSYFQ-OKILXGFUSA-N -1 1 404.894 4.310 20 0 HIADMM CC(C)COc1ccccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000545478861 940571494 /nfs/dbraw/zinc/57/14/94/940571494.db2.gz FDHPWHDGPMOXGI-UHFFFAOYSA-N -1 1 411.239 4.284 20 0 HIADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(I)c([O-])c1 ZINC000545479002 940571505 /nfs/dbraw/zinc/57/15/05/940571505.db2.gz MHWLOSNZFWNXNR-ZDUSSCGKSA-N -1 1 421.156 4.030 20 0 HIADMM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(I)c([O-])c2)cc1 ZINC000545494488 940572054 /nfs/dbraw/zinc/57/20/54/940572054.db2.gz GKJJZKODDFJQGS-ZDUSSCGKSA-N -1 1 409.267 4.008 20 0 HIADMM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545515907 940572774 /nfs/dbraw/zinc/57/27/74/940572774.db2.gz KEZKQZRHJFNBRE-RBUKOAKNSA-N -1 1 419.572 4.283 20 0 HIADMM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545515906 940572800 /nfs/dbraw/zinc/57/28/00/940572800.db2.gz KEZKQZRHJFNBRE-OALUTQOASA-N -1 1 419.572 4.283 20 0 HIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(CC(F)(F)F)no3)cc2)cc1C ZINC000545562986 940574788 /nfs/dbraw/zinc/57/47/88/940574788.db2.gz HNMDWBNLFWNEFT-UHFFFAOYSA-N -1 1 411.405 4.259 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccc(C)nc4)no3)cc2)cc1 ZINC000545564140 940574855 /nfs/dbraw/zinc/57/48/55/940574855.db2.gz CPCHSBNYXRGOIR-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM CSc1nc(C)c(CCc2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)c(=O)[n-]1 ZINC000545684258 940580547 /nfs/dbraw/zinc/58/05/47/940580547.db2.gz WRXWDVVKONWDPS-UHFFFAOYSA-N -1 1 415.906 4.106 20 0 HIADMM CCOc1cc(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)cc(Cl)c1[O-] ZINC000545850507 940633812 /nfs/dbraw/zinc/63/38/12/940633812.db2.gz PMADKMCYXGHPOG-LBPRGKRZSA-N -1 1 401.850 4.028 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(OC)ccc2Br)cc(Cl)c1[O-] ZINC000545878513 940650026 /nfs/dbraw/zinc/65/00/26/940650026.db2.gz RSIIUQNALFXAKT-UHFFFAOYSA-N -1 1 400.656 4.468 20 0 HIADMM COc1ccc(Br)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)c1 ZINC000546170983 940721273 /nfs/dbraw/zinc/72/12/73/940721273.db2.gz ZJUWVEZEFWMQSS-UHFFFAOYSA-N -1 1 416.259 4.001 20 0 HIADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([O-])c1 ZINC000546192944 940725862 /nfs/dbraw/zinc/72/58/62/940725862.db2.gz RXRZAYWEJAODEV-SWLSCSKDSA-N -1 1 407.251 4.015 20 0 HIADMM Cc1cccc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000564003469 945343478 /nfs/dbraw/zinc/34/34/78/945343478.db2.gz SIHYUNJAOKLFBQ-UHFFFAOYSA-N -1 1 415.902 4.121 20 0 HIADMM C[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1(C)C ZINC000546223637 940734636 /nfs/dbraw/zinc/73/46/36/940734636.db2.gz OMYHLEZAPSYSNC-INIZCTEOSA-N -1 1 401.532 4.387 20 0 HIADMM O=C(NCc1ccc(Br)cc1C(F)(F)F)c1c(F)ccc([O-])c1F ZINC000564007080 945345156 /nfs/dbraw/zinc/34/51/56/945345156.db2.gz TZADKQNWRYUQNL-UHFFFAOYSA-N -1 1 410.136 4.382 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccccn4)no3)cc2)c1 ZINC000546258308 940751248 /nfs/dbraw/zinc/75/12/48/940751248.db2.gz FBAJDBQINBKXBO-UHFFFAOYSA-N -1 1 406.467 4.216 20 0 HIADMM Cc1cncc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)n2)c1 ZINC000546313769 940778567 /nfs/dbraw/zinc/77/85/67/940778567.db2.gz AZOLAFXVIVQCSI-UHFFFAOYSA-N -1 1 410.430 4.047 20 0 HIADMM CCOc1cc(C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)cc(Cl)c1[O-] ZINC000546559711 940853060 /nfs/dbraw/zinc/85/30/60/940853060.db2.gz HMJTWMZPARBCOU-UHFFFAOYSA-N -1 1 401.850 4.106 20 0 HIADMM CCOc1cc(C(=O)N(C)CCCOc2cc(OC)cc(OC)c2)cc(Cl)c1[O-] ZINC000546564405 940854217 /nfs/dbraw/zinc/85/42/17/940854217.db2.gz YUDYRBQUBBGSKM-UHFFFAOYSA-N -1 1 423.893 4.003 20 0 HIADMM CCOc1cc(C(=O)Nc2ccc(CC(=O)N(CC)CC)cc2)cc(Cl)c1[O-] ZINC000546582993 940857449 /nfs/dbraw/zinc/85/74/49/940857449.db2.gz BXNSQWJZWTVDIW-UHFFFAOYSA-N -1 1 404.894 4.108 20 0 HIADMM CCOc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000546584283 940857942 /nfs/dbraw/zinc/85/79/42/940857942.db2.gz LQEBLONPMIVWKY-UHFFFAOYSA-N -1 1 403.784 4.272 20 0 HIADMM Cc1ccncc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000546657051 940866101 /nfs/dbraw/zinc/86/61/01/940866101.db2.gz PILNQAYLHGUPPR-UHFFFAOYSA-N -1 1 415.902 4.121 20 0 HIADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000546876732 940899617 /nfs/dbraw/zinc/89/96/17/940899617.db2.gz JVKNAJHRDOSXHC-HNNXBMFYSA-N -1 1 411.214 4.113 20 0 HIADMM Cc1ccccc1C1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000546902905 940906966 /nfs/dbraw/zinc/90/69/66/940906966.db2.gz SMXAVVZJAIVMMB-UHFFFAOYSA-N -1 1 421.278 4.325 20 0 HIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nc([C@@H]3Cc4ccccc43)no2)cc1 ZINC000547002452 940950831 /nfs/dbraw/zinc/95/08/31/940950831.db2.gz XEQAUQJFBAEFLS-HXUWFJFHSA-N -1 1 421.453 4.365 20 0 HIADMM CCOc1cc(C(=O)NCc2ccc(C)cc2OCCCOC)cc(Cl)c1[O-] ZINC000547268186 941048700 /nfs/dbraw/zinc/04/87/00/941048700.db2.gz KFYPAXZQXGQASN-UHFFFAOYSA-N -1 1 407.894 4.098 20 0 HIADMM CCOc1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc(Cl)c1[O-] ZINC000547290405 941053275 /nfs/dbraw/zinc/05/32/75/941053275.db2.gz YHBPEXRVGXCSCW-UHFFFAOYSA-N -1 1 420.868 4.074 20 0 HIADMM CC(=O)Nc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000547952832 941080515 /nfs/dbraw/zinc/08/05/15/941080515.db2.gz CLGJAEIEAWTBHJ-UHFFFAOYSA-N -1 1 416.421 4.252 20 0 HIADMM Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000548611140 941114743 /nfs/dbraw/zinc/11/47/43/941114743.db2.gz SXYJCLLLBILPMF-UHFFFAOYSA-N -1 1 410.373 4.061 20 0 HIADMM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cn[nH]c3C(C)(C)C)cc2)cc1 ZINC000549225633 941172086 /nfs/dbraw/zinc/17/20/86/941172086.db2.gz CMZAISMNZLSRNC-UHFFFAOYSA-N -1 1 412.515 4.069 20 0 HIADMM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1=O ZINC000549584899 941200428 /nfs/dbraw/zinc/20/04/28/941200428.db2.gz OPQPKADLBUUVCF-NVXWUHKLSA-N -1 1 418.497 4.287 20 0 HIADMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c(F)cc1F ZINC000551108775 941411758 /nfs/dbraw/zinc/41/17/58/941411758.db2.gz VRQJEQUNFOBUBV-UHFFFAOYSA-N -1 1 403.834 4.329 20 0 HIADMM COc1nc2ccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2s1 ZINC000551115486 941412852 /nfs/dbraw/zinc/41/28/52/941412852.db2.gz XHXHLJDOCSFWRP-UHFFFAOYSA-N -1 1 419.528 4.090 20 0 HIADMM O=S(=O)([N-][C@H](c1cncc(Br)c1)C1CC1)c1cc2ccccc2o1 ZINC000551123103 941414324 /nfs/dbraw/zinc/41/43/24/941414324.db2.gz CNOZGDGVDZCCFS-KRWDZBQOSA-N -1 1 407.289 4.020 20 0 HIADMM O=C(CCCc1nc(C2CC2)no1)Nc1c([O-])cc(Br)cc1Cl ZINC000552022425 941569768 /nfs/dbraw/zinc/56/97/68/941569768.db2.gz WIGKPNVTQBFHFA-UHFFFAOYSA-N -1 1 400.660 4.030 20 0 HIADMM C[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000552802415 941768678 /nfs/dbraw/zinc/76/86/78/941768678.db2.gz PSUTXWVMZGWYHG-CQSZACIVSA-N -1 1 408.470 4.028 20 0 HIADMM Cc1cc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)ccc1-c1ccncc1 ZINC000552880468 941797457 /nfs/dbraw/zinc/79/74/57/941797457.db2.gz HLXJAKPDYSSCFL-UHFFFAOYSA-N -1 1 411.465 4.104 20 0 HIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000554178425 942058914 /nfs/dbraw/zinc/05/89/14/942058914.db2.gz BKEASQMCYSWCKC-UHFFFAOYSA-N -1 1 405.841 4.056 20 0 HIADMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000555119353 942390352 /nfs/dbraw/zinc/39/03/52/942390352.db2.gz GGJRCOYKOOKSEJ-UHFFFAOYSA-N -1 1 410.421 4.093 20 0 HIADMM Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4cncc([O-])c4)cc3s2)s1 ZINC000555870487 942760547 /nfs/dbraw/zinc/76/05/47/942760547.db2.gz ZNKGZXNQLJBFCZ-UHFFFAOYSA-N -1 1 410.480 4.271 20 0 HIADMM O=C(CCc1nc(-c2ccco2)no1)Nc1c([O-])cc(Br)cc1Cl ZINC000556850078 942940122 /nfs/dbraw/zinc/94/01/22/942940122.db2.gz IUINDEDVFHQHIS-UHFFFAOYSA-N -1 1 412.627 4.022 20 0 HIADMM COc1cc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)cc(Cl)c1[O-] ZINC000557171025 943039052 /nfs/dbraw/zinc/03/90/52/943039052.db2.gz QSBKZPLXNZKLFK-OAHLLOKOSA-N -1 1 411.683 4.093 20 0 HIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC(C2CCC2)C1 ZINC000557469899 943148851 /nfs/dbraw/zinc/14/88/51/943148851.db2.gz OAIOYZZFGSTMQG-UHFFFAOYSA-N -1 1 404.919 4.013 20 0 HIADMM CC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000557877078 943318257 /nfs/dbraw/zinc/31/82/57/943318257.db2.gz LQSKENAWQDYXDH-LJQANCHMSA-N -1 1 410.905 4.406 20 0 HIADMM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccccc1Br ZINC000558048298 943366324 /nfs/dbraw/zinc/36/63/24/943366324.db2.gz JULSDLXTMNSISN-UHFFFAOYSA-N -1 1 405.273 4.437 20 0 HIADMM CC[C@H]1CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000558163917 943403911 /nfs/dbraw/zinc/40/39/11/943403911.db2.gz YYUFWPUMGMPTFV-INIZCTEOSA-N -1 1 412.433 4.131 20 0 HIADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000558463118 943566627 /nfs/dbraw/zinc/56/66/27/943566627.db2.gz BFNLFQIPAYTVKN-LBPRGKRZSA-N -1 1 419.457 4.042 20 0 HIADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000558695174 943629933 /nfs/dbraw/zinc/62/99/33/943629933.db2.gz QDVDESHYAYDUQB-UHFFFAOYSA-N -1 1 418.696 4.218 20 0 HIADMM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000558763815 943651039 /nfs/dbraw/zinc/65/10/39/943651039.db2.gz LHOUQMHOZVUUNZ-CYBMUJFWSA-N -1 1 404.894 4.178 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)c3ccccn3)ccc2C)c1 ZINC000559261106 943887467 /nfs/dbraw/zinc/88/74/67/943887467.db2.gz KVCZSHGYJKNHBU-QGZVFWFLSA-N -1 1 409.511 4.241 20 0 HIADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@H](C)c2ccc3ccccc3c2)n[n-]1 ZINC000560427154 944230968 /nfs/dbraw/zinc/23/09/68/944230968.db2.gz GNFOAHDRFBELBO-DNVCBOLYSA-N -1 1 408.502 4.142 20 0 HIADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H](C)c2ccc3ccccc3c2)[n-]1 ZINC000560427154 944230976 /nfs/dbraw/zinc/23/09/76/944230976.db2.gz GNFOAHDRFBELBO-DNVCBOLYSA-N -1 1 408.502 4.142 20 0 HIADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H](C)c2ccc3ccccc3c2)n1 ZINC000560427154 944230985 /nfs/dbraw/zinc/23/09/85/944230985.db2.gz GNFOAHDRFBELBO-DNVCBOLYSA-N -1 1 408.502 4.142 20 0 HIADMM CCCNC(=O)c1cccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000560504443 944239271 /nfs/dbraw/zinc/23/92/71/944239271.db2.gz TZVRVSHOVBXBKF-UHFFFAOYSA-N -1 1 411.683 4.200 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cccc(NC(=O)C2CC2)c1 ZINC000560505990 944239471 /nfs/dbraw/zinc/23/94/71/944239471.db2.gz XUCXBKWXWZKZRL-UHFFFAOYSA-N -1 1 409.667 4.409 20 0 HIADMM O=c1[nH]nc(SCc2ccc(OCc3ccncc3)cc2)n1CCc1ccccc1 ZINC000560566620 944256091 /nfs/dbraw/zinc/25/60/91/944256091.db2.gz VHDCJSKZAOOWBM-UHFFFAOYSA-N -1 1 418.522 4.493 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3(F)CCC3)ccc2C)cc1 ZINC000561702161 944754309 /nfs/dbraw/zinc/75/43/09/944754309.db2.gz LXUDMUGTPQHZTQ-UHFFFAOYSA-N -1 1 404.507 4.116 20 0 HIADMM O=C(NC[C@@H]1CCCSC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000561716193 944760841 /nfs/dbraw/zinc/76/08/41/944760841.db2.gz SBNPFEIELQJAQF-AWEZNQCLSA-N -1 1 424.975 4.014 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000561880583 944833998 /nfs/dbraw/zinc/83/39/98/944833998.db2.gz NYZQGXRKJCCEPK-GFCCVEGCSA-N -1 1 420.918 4.121 20 0 HIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC4(CC4)c4ccccc43)c2)cc1 ZINC000562050386 944912616 /nfs/dbraw/zinc/91/26/16/944912616.db2.gz RBRJJNUVQOZATJ-UHFFFAOYSA-N -1 1 418.518 4.488 20 0 HIADMM CC[C@](C)(OC)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n1 ZINC000562118111 944951285 /nfs/dbraw/zinc/95/12/85/944951285.db2.gz YNQWYRYMKYYNLP-NRFANRHFSA-N -1 1 415.515 4.426 20 0 HIADMM CC[C@@](C)(OC)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)n1 ZINC000562118112 944951399 /nfs/dbraw/zinc/95/13/99/944951399.db2.gz YNQWYRYMKYYNLP-OAQYLSRUSA-N -1 1 415.515 4.426 20 0 HIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2N2CCCCC2)c1 ZINC000562232248 945034237 /nfs/dbraw/zinc/03/42/37/945034237.db2.gz IUDXYJBQFYLVKR-UHFFFAOYSA-N -1 1 408.470 4.349 20 0 HIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccncc1Br ZINC000565436095 945828713 /nfs/dbraw/zinc/82/87/13/945828713.db2.gz JIRRTCMNBINSTE-UHFFFAOYSA-N -1 1 406.461 4.218 20 0 HIADMM CC(C)[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1cccc2ncccc21 ZINC000566590023 946049704 /nfs/dbraw/zinc/04/97/04/946049704.db2.gz RDAHEKWBTFRPND-INIZCTEOSA-N -1 1 404.442 4.423 20 0 HIADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000567307120 946305125 /nfs/dbraw/zinc/30/51/25/946305125.db2.gz WBFBUUPNOLWNKK-UHFFFAOYSA-N -1 1 403.729 4.278 20 0 HIADMM Cc1nc(-c2ccc(N[C@H]3c4ccccc4CC34CCOCC4)nc2)[n-]c(=O)c1C ZINC000567553177 946375392 /nfs/dbraw/zinc/37/53/92/946375392.db2.gz DUHQGLOJOPGICQ-NRFANRHFSA-N -1 1 402.498 4.367 20 0 HIADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1cnc2onc(-c3ccccc3)c2c1 ZINC000569405382 946868985 /nfs/dbraw/zinc/86/89/85/946868985.db2.gz YWTSWERADKQNPX-UHFFFAOYSA-N -1 1 409.471 4.071 20 0 HIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000569537827 946888909 /nfs/dbraw/zinc/88/89/09/946888909.db2.gz VORUWFXAEUAXIQ-UHFFFAOYSA-N -1 1 412.433 4.472 20 0 HIADMM C[C@H](Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(F)(F)F ZINC000570309838 947186438 /nfs/dbraw/zinc/18/64/38/947186438.db2.gz KBUUOVNCRNMJNB-VIFPVBQESA-N -1 1 423.796 4.169 20 0 HIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000570425778 947236382 /nfs/dbraw/zinc/23/63/82/947236382.db2.gz GEWSIQAODFAPOP-AWEZNQCLSA-N -1 1 406.461 4.154 20 0 HIADMM Cc1c(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)ccn1C(C)C ZINC000570586466 947305194 /nfs/dbraw/zinc/30/51/94/947305194.db2.gz QKOWZQSPUYJEAK-UHFFFAOYSA-N -1 1 411.527 4.108 20 0 HIADMM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)s1 ZINC000572039836 947832176 /nfs/dbraw/zinc/83/21/76/947832176.db2.gz VRHYGULRLVYUHN-UHFFFAOYSA-N -1 1 418.943 4.046 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCS[C@@H](C)[C@H]3C)c2)c1 ZINC000572161010 947852469 /nfs/dbraw/zinc/85/24/69/947852469.db2.gz SMNQIBKNEPPDFL-SJORKVTESA-N -1 1 418.584 4.070 20 0 HIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCS[C@H](C)[C@H]3C)c2)c1 ZINC000572161008 947852808 /nfs/dbraw/zinc/85/28/08/947852808.db2.gz SMNQIBKNEPPDFL-IAGOWNOFSA-N -1 1 418.584 4.070 20 0 HIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cccc(C)n3)c2)c1 ZINC000572568493 947950596 /nfs/dbraw/zinc/95/05/96/947950596.db2.gz WEQXZCLZJCBGQG-UHFFFAOYSA-N -1 1 423.538 4.080 20 0 HIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC(C2CCCCC2)C1 ZINC000573518017 948227961 /nfs/dbraw/zinc/22/79/61/948227961.db2.gz NUPMHTHYCFXQGJ-UHFFFAOYSA-N -1 1 416.518 4.279 20 0 HIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)c(F)c1 ZINC000573866431 948314615 /nfs/dbraw/zinc/31/46/15/948314615.db2.gz DIYCHAZXSAQZBV-UHFFFAOYSA-N -1 1 411.760 4.085 20 0 HIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000574121303 948371303 /nfs/dbraw/zinc/37/13/03/948371303.db2.gz BWVATXURTJNPGL-INIZCTEOSA-N -1 1 415.465 4.312 20 0 HIADMM O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1c([O-])cc(Br)cc1Cl ZINC000574265735 948401768 /nfs/dbraw/zinc/40/17/68/948401768.db2.gz YSSRNYKOJSVKGT-UHFFFAOYSA-N -1 1 423.694 4.264 20 0 HIADMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(C(F)F)cc1 ZINC000574359955 948422567 /nfs/dbraw/zinc/42/25/67/948422567.db2.gz YIQRJUUODVGHOK-UHFFFAOYSA-N -1 1 418.469 4.410 20 0 HIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000574545492 948467457 /nfs/dbraw/zinc/46/74/57/948467457.db2.gz NNQUEOJWKIOOGN-OAQYLSRUSA-N -1 1 420.490 4.186 20 0 HIADMM O=C(c1ccc(Br)c([O-])c1)N(CCc1ccccc1)Cc1cccnc1 ZINC000575149787 948605775 /nfs/dbraw/zinc/60/57/75/948605775.db2.gz BFMSXTSQJVYYPG-UHFFFAOYSA-N -1 1 411.299 4.435 20 0 HIADMM