smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H]1CCCN1S(=O)(=O)[N-]Cc1nc(Cc2ccccc2)no1 ZINC000738545169 836106105 /nfs/dbraw/zinc/10/61/05/836106105.db2.gz KNUXLPPJBTXJQA-GFCCVEGCSA-N -2 3 366.399 0.544 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143676784 849497430 /nfs/dbraw/zinc/49/74/30/849497430.db2.gz OMTWOZDZKGJPLO-LSDHHAIUSA-N -2 3 356.359 0.696 20 0 FCADHL CN(C1CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C1)[C@H]1CCOC1 ZINC001148926252 849621702 /nfs/dbraw/zinc/62/17/02/849621702.db2.gz KXAIJYYUEWKSPN-JTQLQIEISA-N -2 3 356.400 0.184 20 0 FCADHL Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1C ZINC001168430647 850586493 /nfs/dbraw/zinc/58/64/93/850586493.db2.gz ORSFGFKUTCMPPH-UHFFFAOYSA-N -2 3 351.384 0.838 20 0 FCADHL NC(=O)c1ccccc1OCC[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176826 851017538 /nfs/dbraw/zinc/01/75/38/851017538.db2.gz PHQILCOOKKEQFW-UHFFFAOYSA-N -2 3 352.240 0.636 20 0 FCADHL C[C@@H](O)[C@@H](C(=O)NCCCCP(=O)([O-])[O-])N(C)C(=O)OC(C)(C)C ZINC001182958248 851213653 /nfs/dbraw/zinc/21/36/53/851213653.db2.gz LTBVALQZTSCKNK-MNOVXSKESA-N -2 3 368.367 0.677 20 0 FCADHL CN(CC(=O)NCCCCP(=O)([O-])[O-])S(=O)(=O)c1ccccc1 ZINC001184412697 851306444 /nfs/dbraw/zinc/30/64/44/851306444.db2.gz AZZILYZXSZCHSG-UHFFFAOYSA-N -2 3 364.360 0.381 20 0 FCADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCP(=O)([O-])[O-] ZINC001190596048 851927087 /nfs/dbraw/zinc/92/70/87/851927087.db2.gz RUWIJNIAHGUVEL-UHFFFAOYSA-N -2 3 357.708 0.583 20 0 FCADHL Cc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(=O)[n-]1 ZINC001194039741 852529107 /nfs/dbraw/zinc/52/91/07/852529107.db2.gz HDAJNQUJBRYLKN-VIFPVBQESA-N -2 3 361.738 0.854 20 0 FCADHL Cn1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1=O ZINC001195246629 852730612 /nfs/dbraw/zinc/73/06/12/852730612.db2.gz JDRNZVHGDMWUNO-UHFFFAOYSA-N -2 3 358.322 0.840 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCCCO2)c(F)cc1F ZINC001195246257 852730751 /nfs/dbraw/zinc/73/07/51/852730751.db2.gz YYKYFPBCQSJSLU-UHFFFAOYSA-N -2 3 350.343 0.969 20 0 FCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)[C@@H](C)O ZINC001195247523 852731396 /nfs/dbraw/zinc/73/13/96/852731396.db2.gz SLGYMSNMMVEGPV-KBUNVGBDSA-N -2 3 367.326 0.254 20 0 FCADHL CC(=O)NC[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195259737 852732382 /nfs/dbraw/zinc/73/23/82/852732382.db2.gz KATIJEUBJPSDAR-ZETCQYMHSA-N -2 3 350.343 0.714 20 0 FCADHL O=C1[N-]C(=O)[C@@H]([N-]S(=O)(=O)c2cccc(Br)n2)S1 ZINC001196323885 852937138 /nfs/dbraw/zinc/93/71/38/852937138.db2.gz NJFNJIAFAASXDZ-ZETCQYMHSA-N -2 3 352.191 0.432 20 0 FCADHL COc1ccc(CSC[C@H](N)C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001220220820 856017323 /nfs/dbraw/zinc/01/73/23/856017323.db2.gz GRLQEYBSCWCSAX-LBPRGKRZSA-N -2 3 364.360 0.481 20 0 FCADHL CO[C@H]1O[C@H](COc2nc3ncnc-3c([S-])[n-]2)[C@H]2OC(C)(C)O[C@H]21 ZINC001226781417 857125964 /nfs/dbraw/zinc/12/59/64/857125964.db2.gz AYCHGKCNCUZUTA-PPSWKLDYSA-N -2 3 354.388 0.912 20 0 FCADHL CCOC(=O)c1c(C)cc([O-])cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227213020 857148883 /nfs/dbraw/zinc/14/88/83/857148883.db2.gz OUPFTLGKVQYXRX-SECBINFHSA-N -3 3 364.243 0.253 20 0 FCADHL C[C@H](CN1CCOCC1)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227593126 857167034 /nfs/dbraw/zinc/16/70/34/857167034.db2.gz CBYHQOIQCAXPHB-SSDOTTSWSA-N -2 3 358.196 0.921 20 0 FCADHL O=C1CCc2cc([O-])c(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])cc21 ZINC001228853772 857233040 /nfs/dbraw/zinc/23/30/40/857233040.db2.gz KRAULRPQLYIKKC-LBPRGKRZSA-N -2 3 371.411 0.489 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC(Oc3[n-]c(=O)nc4cn[n-]c43)C2)cc1 ZINC001233945189 857393196 /nfs/dbraw/zinc/39/31/96/857393196.db2.gz RMDNYZXTLATADB-UHFFFAOYSA-N -2 3 361.383 0.407 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CNCCC2=O)c(F)cc1Cl ZINC001238629505 857475008 /nfs/dbraw/zinc/47/50/08/857475008.db2.gz YZYRKJLXCMJRAX-VIFPVBQESA-N -2 3 350.755 0.387 20 0 FCADHL COc1ncc(-c2nc(C)cc3c2C(=O)[N-]C3=O)cc1[N-]S(C)(=O)=O ZINC001244793675 857551191 /nfs/dbraw/zinc/55/11/91/857551191.db2.gz QBNKLKYPIGSCKK-UHFFFAOYSA-N -2 3 362.367 0.716 20 0 FCADHL COC(=O)CS(=O)(=O)[N-]c1cc(I)ccc1[O-] ZINC001259026649 858232085 /nfs/dbraw/zinc/23/20/85/858232085.db2.gz PSCCZHSSKRXDDW-UHFFFAOYSA-N -2 3 371.152 0.912 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)[C@@H](C)O ZINC001259221372 858249234 /nfs/dbraw/zinc/24/92/34/858249234.db2.gz DFTDGEAZYLDVPS-FWOIEVBISA-N -2 3 369.754 0.378 20 0 FCADHL C=CC(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259223459 858249379 /nfs/dbraw/zinc/24/93/79/858249379.db2.gz BXEYHNGBTLUIGR-UHFFFAOYSA-N -2 3 350.755 0.758 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CC(CO)(CO)C2)c(F)cc1Cl ZINC001259223072 858249643 /nfs/dbraw/zinc/24/96/43/858249643.db2.gz NSZSILRGUYHXIE-UHFFFAOYSA-N -2 3 367.782 0.589 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC(=O)NC2)c(F)cc1Cl ZINC001259221970 858249842 /nfs/dbraw/zinc/24/98/42/858249842.db2.gz CKHKFJWHNJVVBY-LURJTMIESA-N -2 3 350.755 0.734 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001304819578 866548936 /nfs/dbraw/zinc/54/89/36/866548936.db2.gz KTGGPXLBIOQSFL-KYZUINATSA-N -2 3 350.404 0.941 20 0 FCADHL O=c1nc(C[N-]S(=O)(=O)c2cccc(Br)c2F)[n-]o1 ZINC001324572083 869624520 /nfs/dbraw/zinc/62/45/20/869624520.db2.gz MXOBMMILVTYGOD-UHFFFAOYSA-N -2 3 352.141 0.743 20 0 FCADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)OCCO ZINC000323630574 971023676 /nfs/dbraw/zinc/02/36/76/971023676.db2.gz QCBRFEBWMSLLSE-UHFFFAOYSA-N -2 3 353.343 0.729 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)cc1C(N)=O ZINC000326776470 971327143 /nfs/dbraw/zinc/32/71/43/971327143.db2.gz SKWMCMCIQDZHAH-UHFFFAOYSA-N -2 3 359.310 0.901 20 0 FCADHL C[C@H](C(=O)N(C)CC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC001573594376 947393027 /nfs/dbraw/zinc/39/30/27/947393027.db2.gz YLMVTLFRBAURDA-LLVKDONJSA-N -2 3 370.373 0.193 20 0 FCADHL C[C@H](C(=O)N(C)CC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC001573594376 947393037 /nfs/dbraw/zinc/39/30/37/947393037.db2.gz YLMVTLFRBAURDA-LLVKDONJSA-N -2 3 370.373 0.193 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449950 948313935 /nfs/dbraw/zinc/31/39/35/948313935.db2.gz QHBHTDWFTLWZBN-UHFFFAOYSA-N -2 3 373.398 0.228 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449950 948313940 /nfs/dbraw/zinc/31/39/40/948313940.db2.gz QHBHTDWFTLWZBN-UHFFFAOYSA-N -2 3 373.398 0.228 20 0 FCADHL CC(C)(C)[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1nc(=O)o[n-]1 ZINC001573821913 949784422 /nfs/dbraw/zinc/78/44/22/949784422.db2.gz FGIYAEAPVROPPX-GFCCVEGCSA-N -2 3 357.374 0.989 20 0 FCADHL CC(C)(C)[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1nc(=O)o[n-]1 ZINC001573821913 949784444 /nfs/dbraw/zinc/78/44/44/949784444.db2.gz FGIYAEAPVROPPX-GFCCVEGCSA-N -2 3 357.374 0.989 20 0 FCADHL CCOC(=O)c1nc(C2CCN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)CC2)n[n-]1 ZINC001591279394 951118001 /nfs/dbraw/zinc/11/80/01/951118001.db2.gz OINRTZGKPJONRB-ABKXIKBNSA-N -2 3 350.375 0.798 20 0 FCADHL CCOC(=O)c1nnc(C2CCN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)CC2)[n-]1 ZINC001591279394 951118007 /nfs/dbraw/zinc/11/80/07/951118007.db2.gz OINRTZGKPJONRB-ABKXIKBNSA-N -2 3 350.375 0.798 20 0 FCADHL O=C(NCc1nc(=O)o[n-]1)c1cccc(-c2nnn[n-]2)c1Br ZINC001571020696 951396622 /nfs/dbraw/zinc/39/66/22/951396622.db2.gz SVEKQXOCSWEOCT-UHFFFAOYSA-N -2 3 366.135 0.236 20 0 FCADHL O=C(NCc1nc(=O)o[n-]1)c1cccc(-c2nn[n-]n2)c1Br ZINC001571020696 951396626 /nfs/dbraw/zinc/39/66/26/951396626.db2.gz SVEKQXOCSWEOCT-UHFFFAOYSA-N -2 3 366.135 0.236 20 0 FCADHL C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001571020853 951402939 /nfs/dbraw/zinc/40/29/39/951402939.db2.gz ZKGZJMLKZBOOPS-ZYHUDNBSSA-N -2 3 366.385 0.617 20 0 FCADHL C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001571020853 951402946 /nfs/dbraw/zinc/40/29/46/951402946.db2.gz ZKGZJMLKZBOOPS-ZYHUDNBSSA-N -2 3 366.385 0.617 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1ncccc1-c1nnn[n-]1 ZINC001575066600 951600119 /nfs/dbraw/zinc/60/01/19/951600119.db2.gz HHIWMGMHQYECRJ-JTQLQIEISA-N -2 3 354.374 0.840 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1ncccc1-c1nn[n-]n1 ZINC001575066600 951600121 /nfs/dbraw/zinc/60/01/21/951600121.db2.gz HHIWMGMHQYECRJ-JTQLQIEISA-N -2 3 354.374 0.840 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575067198 951605327 /nfs/dbraw/zinc/60/53/27/951605327.db2.gz KDZNQIGJMNWHFO-JTQLQIEISA-N -2 3 354.374 0.840 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575067676 951619331 /nfs/dbraw/zinc/61/93/31/951619331.db2.gz NYFZCQSJTDNLDN-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575067676 951619336 /nfs/dbraw/zinc/61/93/36/951619336.db2.gz NYFZCQSJTDNLDN-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL O=C([O-])CN1CCC[C@@H](C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)C1=O ZINC001595081624 951685491 /nfs/dbraw/zinc/68/54/91/951685491.db2.gz CADGZWLLCWBUFG-LBPRGKRZSA-N -2 3 362.386 0.389 20 0 FCADHL O=C([O-])CN1CCCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1=O ZINC001595094936 951807123 /nfs/dbraw/zinc/80/71/23/951807123.db2.gz ZHYXKLYWSIKOQU-GFCCVEGCSA-N -2 3 353.350 0.796 20 0 FCADHL O=C([O-])CNC(=O)CN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001595097692 951833887 /nfs/dbraw/zinc/83/38/87/951833887.db2.gz ZHGAWDTYYKTSHR-SNVBAGLBSA-N -2 3 373.331 0.860 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1[O-] ZINC001571066556 952012026 /nfs/dbraw/zinc/01/20/26/952012026.db2.gz PKWLRPIYZJTBDW-DTORHVGOSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1[O-] ZINC001571066556 952012033 /nfs/dbraw/zinc/01/20/33/952012033.db2.gz PKWLRPIYZJTBDW-DTORHVGOSA-N -2 3 370.377 0.014 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571110169 952428883 /nfs/dbraw/zinc/42/88/83/952428883.db2.gz DQGSGDWXBYAGQD-UHFFFAOYSA-N -2 3 374.357 0.855 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571110169 952428885 /nfs/dbraw/zinc/42/88/85/952428885.db2.gz DQGSGDWXBYAGQD-UHFFFAOYSA-N -2 3 374.357 0.855 20 0 FCADHL O=C([O-])[C@@]1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCO1 ZINC001594750793 953427782 /nfs/dbraw/zinc/42/77/82/953427782.db2.gz IDCBAWYJQQVHTI-ZDUSSCGKSA-N -2 3 352.309 0.537 20 0 FCADHL CCn1c(C)cc2[n-]nc(NC(=O)c3cccn(CC(=O)[O-])c3=O)c2c1=O ZINC001593660275 953791073 /nfs/dbraw/zinc/79/10/73/953791073.db2.gz JYPGFPLXXDWNBX-UHFFFAOYSA-N -2 3 371.353 0.552 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001594502971 955339199 /nfs/dbraw/zinc/33/91/99/955339199.db2.gz QYDYBERYBLRSTR-NSHDSACASA-N -2 3 359.404 0.283 20 0 FCADHL C[C@@](CNC(=O)Nc1n[n-]nc1C(=O)NC1CC1)(C(=O)[O-])c1ccccc1 ZINC001589057328 955709191 /nfs/dbraw/zinc/70/91/91/955709191.db2.gz VHVUJCMDPZMSKY-KRWDZBQOSA-N -2 3 372.385 0.861 20 0 FCADHL 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Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659237145 493177005 /nfs/dbraw/zinc/17/70/05/493177005.db2.gz XKXSITFNFMCMIA-XDMRBOTDSA-N -2 3 373.431 0.718 20 0 FCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)Cc1ccccc1Br ZINC000672786339 493250172 /nfs/dbraw/zinc/25/01/72/493250172.db2.gz FLKSEJWSVYMMRD-UHFFFAOYSA-N -2 3 365.205 0.069 20 0 FCADHL C[C@@H](O)C1([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000660050016 493319077 /nfs/dbraw/zinc/31/90/77/493319077.db2.gz XHUJWXBPNJLCNZ-MRVPVSSYSA-N -2 3 352.409 0.389 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC2(CO)CC2)c(F)c1 ZINC000676864379 493576051 /nfs/dbraw/zinc/57/60/51/493576051.db2.gz VSJMLVSNACBHAR-UHFFFAOYSA-N -2 3 352.409 0.248 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CCC2(CS(C)(=O)=O)CC2)oc1C(=O)[O-] ZINC000663428242 493588347 /nfs/dbraw/zinc/58/83/47/493588347.db2.gz PLJXCRRTQUGRFO-UHFFFAOYSA-N -2 3 365.429 0.779 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000678984231 493666793 /nfs/dbraw/zinc/66/67/93/493666793.db2.gz VGUCBCRDUMYHQR-XLKFXECMSA-N -2 3 359.404 0.328 20 0 FCADHL CC(C)(CCNC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O)C(=O)[O-] ZINC000424403224 535033679 /nfs/dbraw/zinc/03/36/79/535033679.db2.gz JAOXVBFMZQMBCV-QFYYESIMSA-N -2 3 354.407 0.650 20 0 FCADHL Cc1c(S(=O)(=O)[N-]CCSCC(=O)[O-])coc1C(=O)N(C)C ZINC000593261261 546694877 /nfs/dbraw/zinc/69/48/77/546694877.db2.gz HFAQXHANCCNBSR-UHFFFAOYSA-N -2 3 350.418 0.386 20 0 FCADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cccc3c2OCCC3)[n-]1 ZINC000593280298 546698760 /nfs/dbraw/zinc/69/87/60/546698760.db2.gz UWUHCUMJKXWJIX-UHFFFAOYSA-N -2 3 352.372 0.646 20 0 FCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1nocc1C(=O)[O-] ZINC000594571844 546802104 /nfs/dbraw/zinc/80/21/04/546802104.db2.gz AYYNNFZKGJXZGS-UHFFFAOYSA-N -2 3 358.328 0.793 20 0 FCADHL COC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736957381 598823287 /nfs/dbraw/zinc/82/32/87/598823287.db2.gz NMRHOPAYGZUEPU-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736957381 598823289 /nfs/dbraw/zinc/82/32/89/598823289.db2.gz NMRHOPAYGZUEPU-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ccncc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736955998 598823520 /nfs/dbraw/zinc/82/35/20/598823520.db2.gz AOHDJFOBVSCJPN-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ccncc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736955998 598823521 /nfs/dbraw/zinc/82/35/21/598823521.db2.gz AOHDJFOBVSCJPN-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL O=C(C[C@H]1CCOC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737819524 598910535 /nfs/dbraw/zinc/91/05/35/598910535.db2.gz HKWWOYCOIJWKJV-SNVBAGLBSA-N -2 3 351.388 0.239 20 0 FCADHL O=C(C[C@H]1CCOC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737819524 598910536 /nfs/dbraw/zinc/91/05/36/598910536.db2.gz HKWWOYCOIJWKJV-SNVBAGLBSA-N -2 3 351.388 0.239 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cscn1 ZINC000737298807 598976445 /nfs/dbraw/zinc/97/64/45/598976445.db2.gz LPYNNMXRCNXNNI-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cscn1 ZINC000737298807 598976447 /nfs/dbraw/zinc/97/64/47/598976447.db2.gz LPYNNMXRCNXNNI-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2COCCO2)c(Br)o1 ZINC000055329679 602146615 /nfs/dbraw/zinc/14/66/15/602146615.db2.gz UQQLGYSIJGXYHW-LURJTMIESA-N -2 3 370.177 0.434 20 0 FCADHL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000823551233 599233745 /nfs/dbraw/zinc/23/37/45/599233745.db2.gz JVCQCTBRYRMEQJ-UHFFFAOYSA-N -2 3 358.339 0.733 20 0 FCADHL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000823551233 599233747 /nfs/dbraw/zinc/23/37/47/599233747.db2.gz JVCQCTBRYRMEQJ-UHFFFAOYSA-N -2 3 358.339 0.733 20 0 FCADHL O=C([O-])[C@@H]1CC(C(=O)N2CCc3nc[n-]c(=O)c3C2)=NN1c1ccccc1 ZINC000263406975 597369928 /nfs/dbraw/zinc/36/99/28/597369928.db2.gz HYINANKRRFPTDO-HNNXBMFYSA-N -2 3 367.365 0.786 20 0 FCADHL O=C(c1ncccc1[O-])N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738293599 598286263 /nfs/dbraw/zinc/28/62/63/598286263.db2.gz YJBOHQXWRYRQEK-UHFFFAOYSA-N -2 3 352.358 0.325 20 0 FCADHL O=C(c1ncccc1[O-])N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738293599 598286264 /nfs/dbraw/zinc/28/62/64/598286264.db2.gz YJBOHQXWRYRQEK-UHFFFAOYSA-N -2 3 352.358 0.325 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000738137942 598332402 /nfs/dbraw/zinc/33/24/02/598332402.db2.gz BSWBXBQTNJLMEP-UHFFFAOYSA-N -2 3 370.394 0.904 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000738137942 598332404 /nfs/dbraw/zinc/33/24/04/598332404.db2.gz BSWBXBQTNJLMEP-UHFFFAOYSA-N -2 3 370.394 0.904 20 0 FCADHL CCCc1cc(=O)n2nc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)[n-]c2n1 ZINC000736497191 598373955 /nfs/dbraw/zinc/37/39/55/598373955.db2.gz DWCDRUMYVKAALF-UHFFFAOYSA-N -2 3 365.357 0.803 20 0 FCADHL CCCc1cc(=O)n2nc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)[n-]c2n1 ZINC000736497191 598373957 /nfs/dbraw/zinc/37/39/57/598373957.db2.gz DWCDRUMYVKAALF-UHFFFAOYSA-N -2 3 365.357 0.803 20 0 FCADHL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737179219 598565696 /nfs/dbraw/zinc/56/56/96/598565696.db2.gz JKLFHFONPZCXIT-SECBINFHSA-N -2 3 355.445 0.812 20 0 FCADHL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737179219 598565694 /nfs/dbraw/zinc/56/56/94/598565694.db2.gz JKLFHFONPZCXIT-SECBINFHSA-N -2 3 355.445 0.812 20 0 FCADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)CC(F)(F)F ZINC000822977855 599626470 /nfs/dbraw/zinc/62/64/70/599626470.db2.gz AFXIZXWMCBPYGN-UHFFFAOYSA-N -2 3 363.321 0.808 20 0 FCADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CCN(C4CC4)C3)cc2)[n-]1 ZINC000739877418 599751499 /nfs/dbraw/zinc/75/14/99/599751499.db2.gz OAWSRPSMDRLPQA-ZDUSSCGKSA-N -2 3 370.409 0.759 20 0 FCADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(=O)n(C)c1 ZINC000737716661 599816266 /nfs/dbraw/zinc/81/62/66/599816266.db2.gz DDKQBDDEOGHAGR-UHFFFAOYSA-N -2 3 372.380 0.732 20 0 FCADHL O=C([O-])CSCCC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000739843427 599964708 /nfs/dbraw/zinc/96/47/08/599964708.db2.gz DDUNNDKTNXFBOM-UHFFFAOYSA-N -2 3 352.412 0.885 20 0 FCADHL C[C@](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)(C(=O)[O-])C1CC1 ZINC000736643144 600199308 /nfs/dbraw/zinc/19/93/08/600199308.db2.gz RKQCBDILNQWOAP-GFCCVEGCSA-N -2 3 360.164 0.081 20 0 FCADHL CCN1CCCN(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CC1 ZINC000737116110 600261266 /nfs/dbraw/zinc/26/12/66/600261266.db2.gz UHRAYYBMSFUJLR-UHFFFAOYSA-N -2 3 372.425 0.961 20 0 FCADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCCC(=O)[O-])c2)n1 ZINC000737250345 600334676 /nfs/dbraw/zinc/33/46/76/600334676.db2.gz DPVWSHXDQMARTK-UHFFFAOYSA-N -2 3 358.354 0.941 20 0 FCADHL CC(C)Oc1ccc(NC(=O)c2cnc([O-])n(C)c2=O)cc1-c1nn[n-]n1 ZINC000820170130 607440687 /nfs/dbraw/zinc/44/06/87/607440687.db2.gz RLHPLZIZHCEUAT-UHFFFAOYSA-N -2 3 371.357 0.706 20 0 FCADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826332672 607462261 /nfs/dbraw/zinc/46/22/61/607462261.db2.gz CBHMSIRKUDFCNS-UHFFFAOYSA-N -2 3 351.396 0.785 20 0 FCADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C(=O)N1c1cnn(C)c1 ZINC000828184057 600798648 /nfs/dbraw/zinc/79/86/48/600798648.db2.gz NPQXBAPQNPUBEP-WCBMZHEXSA-N -2 3 368.371 0.184 20 0 FCADHL Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CC2 ZINC000833006155 601233916 /nfs/dbraw/zinc/23/39/16/601233916.db2.gz CDRNZMVDAXPUPU-QMMMGPOBSA-N -2 3 372.353 0.856 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)COC1(C)CCC1 ZINC000822222289 607497381 /nfs/dbraw/zinc/49/73/81/607497381.db2.gz BNXFJUBYYVUXJW-UHFFFAOYSA-N -2 3 365.415 0.939 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)COC1(C)CCC1 ZINC000822222289 607497383 /nfs/dbraw/zinc/49/73/83/607497383.db2.gz BNXFJUBYYVUXJW-UHFFFAOYSA-N -2 3 365.415 0.939 20 0 FCADHL O=C([O-])[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CC1 ZINC000833123307 601588774 /nfs/dbraw/zinc/58/87/74/601588774.db2.gz PSEWISPDEKUZPD-CYBMUJFWSA-N -2 3 356.375 0.859 20 0 FCADHL C[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000827569874 601616872 /nfs/dbraw/zinc/61/68/72/601616872.db2.gz BEOVNCRSUSTGMZ-SSDOTTSWSA-N -3 3 365.385 0.251 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)ccc1F ZINC000831029620 601683596 /nfs/dbraw/zinc/68/35/96/601683596.db2.gz ZXRLYYZLKVHZCA-UHFFFAOYSA-N -2 3 356.335 0.267 20 0 FCADHL O=C([O-])[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000833110061 601704903 /nfs/dbraw/zinc/70/49/03/601704903.db2.gz KNNICFHNJXIISB-SNVBAGLBSA-N -2 3 352.821 0.659 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCC(=O)Nc1cccnc1 ZINC000833100328 601768293 /nfs/dbraw/zinc/76/82/93/601768293.db2.gz GNPDRFXFOGJYLR-UHFFFAOYSA-N -2 3 356.385 0.543 20 0 FCADHL C[C@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000828020424 601849872 /nfs/dbraw/zinc/84/98/72/601849872.db2.gz PWCIONDULGOCRV-UGSOOPFHSA-N -2 3 360.366 0.809 20 0 FCADHL CC[C@H](NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000828926403 602193332 /nfs/dbraw/zinc/19/33/32/602193332.db2.gz QHCGZCSZRLEQOO-BDAKNGLRSA-N -2 3 363.823 0.771 20 0 FCADHL O=S(=O)([N-][C@@H]1CCC[C@H](O)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487802 607592777 /nfs/dbraw/zinc/59/27/77/607592777.db2.gz AHZRAVUXMGSXNW-BDAKNGLRSA-N -2 3 359.358 0.727 20 0 FCADHL CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824191440 607636333 /nfs/dbraw/zinc/63/63/33/607636333.db2.gz DUOOMJFRWHJQNP-ZDUSSCGKSA-N -2 3 361.374 0.830 20 0 FCADHL O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489915 607644307 /nfs/dbraw/zinc/64/43/07/607644307.db2.gz DGWXNXHRNUTWMD-QPUJVOFHSA-N -2 3 373.385 0.974 20 0 FCADHL COC(=O)Nc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1[O-] ZINC000831210522 604838805 /nfs/dbraw/zinc/83/88/05/604838805.db2.gz RDEYIAVVDVXELC-UHFFFAOYSA-N -2 3 364.314 0.646 20 0 FCADHL CC(C)C[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000833484806 604898563 /nfs/dbraw/zinc/89/85/63/604898563.db2.gz RXVPREVIDAXYCT-VIFPVBQESA-N -2 3 372.407 0.726 20 0 FCADHL C[C@H](CS(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)[O-] ZINC000833520019 605031163 /nfs/dbraw/zinc/03/11/63/605031163.db2.gz RGYFQABEVAUYIX-LLVKDONJSA-N -2 3 356.400 0.201 20 0 FCADHL NC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])o1 ZINC000833762561 605043521 /nfs/dbraw/zinc/04/35/21/605043521.db2.gz OTULKWGASZPPNY-UHFFFAOYSA-N -2 3 359.747 0.604 20 0 FCADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C(=O)N1c1cnn(C)c1 ZINC000833598203 605207766 /nfs/dbraw/zinc/20/77/66/605207766.db2.gz PNFHJUZQIOTASO-KCJUWKMLSA-N -2 3 368.371 0.184 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822950500 606406851 /nfs/dbraw/zinc/40/68/51/606406851.db2.gz QBDDUZJTVYOIKD-SNVBAGLBSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822950500 606406853 /nfs/dbraw/zinc/40/68/53/606406853.db2.gz QBDDUZJTVYOIKD-SNVBAGLBSA-N -2 3 351.388 0.488 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC000822623420 606710262 /nfs/dbraw/zinc/71/02/62/606710262.db2.gz WMCKCWJKKNNPCX-UHFFFAOYSA-N -3 3 367.322 0.238 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c(F)cc1F ZINC000822211883 606711386 /nfs/dbraw/zinc/71/13/86/606711386.db2.gz RXLORGPAGAHTSL-UHFFFAOYSA-N -2 3 355.330 0.988 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCO1 ZINC000820577832 606745847 /nfs/dbraw/zinc/74/58/47/606745847.db2.gz VZZJMGLYISYCEB-AWEZNQCLSA-N -2 3 351.388 0.382 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC000820577832 606745849 /nfs/dbraw/zinc/74/58/49/606745849.db2.gz VZZJMGLYISYCEB-AWEZNQCLSA-N -2 3 351.388 0.382 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821681496 606749623 /nfs/dbraw/zinc/74/96/23/606749623.db2.gz MBRUGCRJDQWCIG-SECBINFHSA-N -2 3 353.404 0.653 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821681496 606749625 /nfs/dbraw/zinc/74/96/25/606749625.db2.gz MBRUGCRJDQWCIG-SECBINFHSA-N -2 3 353.404 0.653 20 0 FCADHL O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823546420 606887286 /nfs/dbraw/zinc/88/72/86/606887286.db2.gz CLNJTVWSMZLLEJ-JTQLQIEISA-N -2 3 372.357 0.092 20 0 FCADHL CN(C)C(=O)CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821575600 606888342 /nfs/dbraw/zinc/88/83/42/606888342.db2.gz IIWWPTKXCKXXKM-UHFFFAOYSA-N -2 3 374.373 0.292 20 0 FCADHL CN1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCC1=O ZINC000821621712 606892218 /nfs/dbraw/zinc/89/22/18/606892218.db2.gz CSSOLZZWRKHWPS-QMMMGPOBSA-N -2 3 372.357 0.044 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC000820675127 606922843 /nfs/dbraw/zinc/92/28/43/606922843.db2.gz HYWQBEVMWSVEHS-HQJQHLMTSA-N -2 3 371.806 0.893 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC000820675127 606922845 /nfs/dbraw/zinc/92/28/45/606922845.db2.gz HYWQBEVMWSVEHS-HQJQHLMTSA-N -2 3 371.806 0.893 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000820542862 607110187 /nfs/dbraw/zinc/11/01/87/607110187.db2.gz RRKVTDJZTPTFFX-MNOVXSKESA-N -2 3 361.358 0.336 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000820542862 607110189 /nfs/dbraw/zinc/11/01/89/607110189.db2.gz RRKVTDJZTPTFFX-MNOVXSKESA-N -2 3 361.358 0.336 20 0 FCADHL COCCOCCS(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC ZINC000826160792 607846172 /nfs/dbraw/zinc/84/61/72/607846172.db2.gz GRYMPWLHXOJJSS-UHFFFAOYSA-N -2 3 357.392 0.280 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C(=O)[O-] ZINC000824641841 608010567 /nfs/dbraw/zinc/01/05/67/608010567.db2.gz ZXBYGNZHVWHDON-RXMQYKEDSA-N -2 3 365.293 0.637 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826461164 608010790 /nfs/dbraw/zinc/01/07/90/608010790.db2.gz IWGVHNQQRCJMAW-SSDOTTSWSA-N -2 3 357.779 0.615 20 0 FCADHL CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824237747 608011130 /nfs/dbraw/zinc/01/11/30/608011130.db2.gz VPXILKWFNPDCRF-NSHDSACASA-N -2 3 357.367 0.783 20 0 FCADHL CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824237747 608011131 /nfs/dbraw/zinc/01/11/31/608011131.db2.gz VPXILKWFNPDCRF-NSHDSACASA-N -2 3 357.367 0.783 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826461038 608011809 /nfs/dbraw/zinc/01/18/09/608011809.db2.gz CMNPUBSLECHLHN-SECBINFHSA-N -2 3 359.314 0.383 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826461038 608011810 /nfs/dbraw/zinc/01/18/10/608011810.db2.gz CMNPUBSLECHLHN-SECBINFHSA-N -2 3 359.314 0.383 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826402701 608076409 /nfs/dbraw/zinc/07/64/09/608076409.db2.gz ZZZPFXVUORFQBS-ISALQUGTSA-N -2 3 363.399 0.362 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826402701 608076410 /nfs/dbraw/zinc/07/64/10/608076410.db2.gz ZZZPFXVUORFQBS-ISALQUGTSA-N -2 3 363.399 0.362 20 0 FCADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000825848498 608305259 /nfs/dbraw/zinc/30/52/59/608305259.db2.gz DYGUOTACMVIUBN-UHFFFAOYSA-N -2 3 362.375 0.092 20 0 FCADHL O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000826480730 608306165 /nfs/dbraw/zinc/30/61/65/608306165.db2.gz OBOROIBPTDCKMP-UHFFFAOYSA-N -2 3 374.386 0.517 20 0 FCADHL CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184370 609139356 /nfs/dbraw/zinc/13/93/56/609139356.db2.gz SPACBHFEXIVZLM-NEPJUHHUSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184370 609139358 /nfs/dbraw/zinc/13/93/58/609139358.db2.gz SPACBHFEXIVZLM-NEPJUHHUSA-N -2 3 365.415 0.877 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCOC1 ZINC000824784459 609352314 /nfs/dbraw/zinc/35/23/14/609352314.db2.gz UGQLVUQBAQKGPI-AWEZNQCLSA-N -2 3 351.388 0.488 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCOC1 ZINC000824784459 609352317 /nfs/dbraw/zinc/35/23/17/609352317.db2.gz UGQLVUQBAQKGPI-AWEZNQCLSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1n[nH]c(=O)[n-]1 ZINC000826458733 609352825 /nfs/dbraw/zinc/35/28/25/609352825.db2.gz DCRXHSAALLPMKB-UHFFFAOYSA-N -2 3 356.281 0.268 20 0 FCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825356676 609396733 /nfs/dbraw/zinc/39/67/33/609396733.db2.gz DQQDBUXLWTXNMJ-UHFFFAOYSA-N -2 3 361.387 0.592 20 0 FCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825356676 609396736 /nfs/dbraw/zinc/39/67/36/609396736.db2.gz DQQDBUXLWTXNMJ-UHFFFAOYSA-N -2 3 361.387 0.592 20 0 FCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000825776323 609448538 /nfs/dbraw/zinc/44/85/38/609448538.db2.gz GELXHLGHPIYLDH-UHFFFAOYSA-N -2 3 367.347 0.333 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000263330118 663810324 /nfs/dbraw/zinc/81/03/24/663810324.db2.gz LJDRPWAIJNGRHW-YUMQZZPRSA-N -2 3 374.191 0.281 20 0 FCADHL CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000909434806 665002288 /nfs/dbraw/zinc/00/22/88/665002288.db2.gz WLYCTKDFEYPNAQ-GFCCVEGCSA-N -2 3 352.362 0.855 20 0 FCADHL CS[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C[C@@H]1N(C)C ZINC000906908187 666076173 /nfs/dbraw/zinc/07/61/73/666076173.db2.gz XOXPRBBCETYEGJ-CMPLNLGQSA-N -2 3 360.457 0.757 20 0 FCADHL O=C([O-])CNC(=O)C[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000910335220 666242707 /nfs/dbraw/zinc/24/27/07/666242707.db2.gz YHWYJBJECGECBT-UHFFFAOYSA-N -2 3 365.130 0.858 20 0 FCADHL CSc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000064475061 666458100 /nfs/dbraw/zinc/45/81/00/666458100.db2.gz ZXJDEDHHSHUHOW-VIFPVBQESA-N -2 3 364.470 0.153 20 0 FCADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][N-]C(=O)c1ccccc1F ZINC000045780191 666560639 /nfs/dbraw/zinc/56/06/39/666560639.db2.gz ZPRQTOQNLSCUDR-UHFFFAOYSA-N -2 3 356.335 0.349 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1nc[nH]n1 ZINC000230954344 666603370 /nfs/dbraw/zinc/60/33/70/666603370.db2.gz GWDLXBZNBMULHK-BYPYZUCNSA-N -2 3 365.165 0.898 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC1CCOCC1 ZINC000737298991 667862632 /nfs/dbraw/zinc/86/26/32/667862632.db2.gz NRNVMLWOSHTADS-UHFFFAOYSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC1CCOCC1 ZINC000737298991 667862637 /nfs/dbraw/zinc/86/26/37/667862637.db2.gz NRNVMLWOSHTADS-UHFFFAOYSA-N -2 3 365.415 0.797 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737820956 667887337 /nfs/dbraw/zinc/88/73/37/667887337.db2.gz TVJWPUSBZPJKML-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737820956 667887341 /nfs/dbraw/zinc/88/73/41/667887341.db2.gz TVJWPUSBZPJKML-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)nn1 ZINC000761402317 667889137 /nfs/dbraw/zinc/88/91/37/667889137.db2.gz UJZUXQRBRNXFNN-UHFFFAOYSA-N -2 3 366.186 0.657 20 0 FCADHL NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000764535204 667986321 /nfs/dbraw/zinc/98/63/21/667986321.db2.gz KXHITKRCYIYCMD-UHFFFAOYSA-N -2 3 351.365 0.531 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)CCOc2ccccc2)c(=O)[n-]1 ZINC000744297390 668058803 /nfs/dbraw/zinc/05/88/03/668058803.db2.gz NMGJFLFBBAPAPH-UHFFFAOYSA-N -2 3 365.411 0.867 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@H](Cc2ccc(O)cc2)C(=O)[O-])nc1Cl ZINC000776440051 668262327 /nfs/dbraw/zinc/26/23/27/668262327.db2.gz LEGHUTOUCDSNAG-JTQLQIEISA-N -2 3 359.791 0.753 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000776503187 668266650 /nfs/dbraw/zinc/26/66/50/668266650.db2.gz ODCHZTPANJSUIQ-SKDRFNHKSA-N -2 3 361.347 0.380 20 0 FCADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)[N-]OC[C@H]1CCOC1 ZINC000788570967 668833210 /nfs/dbraw/zinc/83/32/10/668833210.db2.gz CELDIJASXLRXRA-QMMMGPOBSA-N -2 3 354.837 0.764 20 0 FCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC)c1 ZINC000794764927 668995642 /nfs/dbraw/zinc/99/56/42/668995642.db2.gz XTKKLSZNPBRLNX-SNVBAGLBSA-N -2 3 363.363 0.770 20 0 FCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000819933841 669041618 /nfs/dbraw/zinc/04/16/18/669041618.db2.gz CDMNHXWGVSCSII-HSZRJFAPSA-N -2 3 372.424 0.913 20 0 FCADHL COC(=O)c1ccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)[n-]1 ZINC000796361536 669097806 /nfs/dbraw/zinc/09/78/06/669097806.db2.gz JJZXQCGUQSBPGE-UHFFFAOYSA-N -2 3 363.351 0.980 20 0 FCADHL COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821657407 669209302 /nfs/dbraw/zinc/20/93/02/669209302.db2.gz NJDIGVICLHTSBO-VIFPVBQESA-N -2 3 367.387 0.012 20 0 FCADHL COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821657407 669209310 /nfs/dbraw/zinc/20/93/10/669209310.db2.gz NJDIGVICLHTSBO-VIFPVBQESA-N -2 3 367.387 0.012 20 0 FCADHL O=C(C=Cc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)Cc1ccon1 ZINC000822928778 669306810 /nfs/dbraw/zinc/30/68/10/669306810.db2.gz MOPNMBMYXUNHNX-PLNGDYQASA-N -2 3 360.355 0.514 20 0 FCADHL O=C(C=Cc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)Cc1ccon1 ZINC000822928778 669306813 /nfs/dbraw/zinc/30/68/13/669306813.db2.gz MOPNMBMYXUNHNX-PLNGDYQASA-N -2 3 360.355 0.514 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)C(=O)[O-] ZINC000825679761 669464217 /nfs/dbraw/zinc/46/42/17/669464217.db2.gz DTAPXTQAQBULKC-UFBFGSQYSA-N -2 3 353.404 0.953 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)C(=O)[O-] ZINC000825679761 669464222 /nfs/dbraw/zinc/46/42/22/669464222.db2.gz DTAPXTQAQBULKC-UFBFGSQYSA-N -2 3 353.404 0.953 20 0 FCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1nnn[n-]1 ZINC000825759923 669467888 /nfs/dbraw/zinc/46/78/88/669467888.db2.gz PBQFWKDSTHMPSU-UHFFFAOYSA-N -2 3 365.423 0.557 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826279659 669490231 /nfs/dbraw/zinc/49/02/31/669490231.db2.gz XMHRJVGQYLOKDM-UHTWSYAYSA-N -2 3 363.399 0.405 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826279659 669490234 /nfs/dbraw/zinc/49/02/34/669490234.db2.gz XMHRJVGQYLOKDM-UHTWSYAYSA-N -2 3 363.399 0.405 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826279657 669490265 /nfs/dbraw/zinc/49/02/65/669490265.db2.gz XMHRJVGQYLOKDM-RAIGVLPGSA-N -2 3 363.399 0.405 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826279657 669490268 /nfs/dbraw/zinc/49/02/68/669490268.db2.gz XMHRJVGQYLOKDM-RAIGVLPGSA-N -2 3 363.399 0.405 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@]2(COC)C(=O)[O-])ccc1F ZINC000818313789 670094944 /nfs/dbraw/zinc/09/49/44/670094944.db2.gz XMHGFMVQUUXVCQ-HNNXBMFYSA-N -2 3 374.390 0.440 20 0 FCADHL C[C@@](O)(C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000841783047 670609883 /nfs/dbraw/zinc/60/98/83/670609883.db2.gz KGCNEIHJFFNBLM-SECBINFHSA-N -2 3 373.612 0.611 20 0 FCADHL CCO[N-]C(=O)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000846497770 671117632 /nfs/dbraw/zinc/11/76/32/671117632.db2.gz JCJUKOMOGPPUPP-UHFFFAOYSA-N -2 3 359.379 0.064 20 0 FCADHL CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c1 ZINC000848680705 671290037 /nfs/dbraw/zinc/29/00/37/671290037.db2.gz LQNWYQQNQFSWQP-VIFPVBQESA-N -2 3 373.811 0.835 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F ZINC000849332694 671328331 /nfs/dbraw/zinc/32/83/31/671328331.db2.gz RVVFVIQDDHLJDA-XCBNKYQSSA-N -2 3 354.356 0.934 20 0 FCADHL Cc1noc(CCCN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000852735063 671521284 /nfs/dbraw/zinc/52/12/84/671521284.db2.gz FDXVKMQBRWMGOF-KOLCDFICSA-N -2 3 364.324 0.907 20 0 FCADHL CN(C)[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccn1)C(F)(F)F ZINC000903509488 675935712 /nfs/dbraw/zinc/93/57/12/675935712.db2.gz LCUSVPMMNPWBNY-SECBINFHSA-N -2 3 355.338 0.941 20 0 FCADHL O=C(c1ncccc1[O-])N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000971897678 1171318051 /nfs/dbraw/zinc/31/80/51/1171318051.db2.gz NVEYKICTJAZRNW-VXGBXAGGSA-N -2 3 354.366 0.875 20 0 FCADHL CCC[C@@H]1C[C@H]1C(=O)NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1 ZINC001087259944 1180758676 /nfs/dbraw/zinc/75/86/76/1180758676.db2.gz OOZUKEGWDVMSAQ-MWLCHTKSSA-N -2 3 361.406 0.348 20 0 FCADHL O=C([N-]c1nnco1)c1noc2c1CN(C(=O)c1cc(=O)[n-]cn1)CC2 ZINC001271228128 1190365752 /nfs/dbraw/zinc/36/57/52/1190365752.db2.gz PXHBKYMMMJDTPS-UHFFFAOYSA-N -2 3 357.286 0.004 20 0 FCADHL Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc12 ZINC000592429029 1196561783 /nfs/dbraw/zinc/56/17/83/1196561783.db2.gz NXAVUIYWHCSLAC-UHFFFAOYSA-N -2 3 371.378 0.961 20 0 FCADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177363480 1206337894 /nfs/dbraw/zinc/33/78/94/1206337894.db2.gz KPRQDFKCOZURNJ-UHFFFAOYSA-N -2 3 363.326 0.806 20 0 FCADHL O=C1COc2c([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)cccc2N1 ZINC001185598498 1206483012 /nfs/dbraw/zinc/48/30/12/1206483012.db2.gz QHAYGXBOEGCQRS-UHFFFAOYSA-N -2 3 372.366 0.998 20 0 FCADHL O=C1COc2c([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cccc2N1 ZINC001185598498 1206483014 /nfs/dbraw/zinc/48/30/14/1206483014.db2.gz QHAYGXBOEGCQRS-UHFFFAOYSA-N -2 3 372.366 0.998 20 0 FCADHL COC(=O)Cc1nc(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)n[n-]1 ZINC000799635078 1221313334 /nfs/dbraw/zinc/31/33/34/1221313334.db2.gz IZOZCQYJNMKKAR-UHFFFAOYSA-N -2 3 374.382 0.158 20 0 FCADHL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)ncc1-c1ccccc1)[C@@H](O)C(=O)[O-] ZINC001230974966 1226093714 /nfs/dbraw/zinc/09/37/14/1226093714.db2.gz OGNIAEYNNHGROM-BXKDBHETSA-N -3 3 362.294 0.291 20 0 FCADHL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCc4nc[n-]c(=O)c4C3)cc2=O)n1 ZINC001138329365 1222501116 /nfs/dbraw/zinc/50/11/16/1222501116.db2.gz RUSGRMZLUIQYJN-UHFFFAOYSA-N -2 3 367.369 0.267 20 0 FCADHL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)[N-]OCCN1CCCC1=O ZINC001328495056 1265561847 /nfs/dbraw/zinc/56/18/47/1265561847.db2.gz QZAOPGCHBWGOJD-UHFFFAOYSA-N -2 3 372.385 0.160 20 0 FCADHL O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])c1n[nH]c(=O)[n-]c1=O ZINC000998807425 1251970743 /nfs/dbraw/zinc/97/07/43/1251970743.db2.gz WYUQHEKENZIXDT-MIMYLULJSA-N -2 3 371.353 0.164 20 0 FCADHL C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001079922364 1255665957 /nfs/dbraw/zinc/66/59/57/1255665957.db2.gz VQZYUJXTNHCTCF-LDYMZIIASA-N -2 3 359.390 0.134 20 0 FCADHL O=C([O-])C[C@@H](C(=O)Oc1nc[n-]c(=O)c1-c1ccccc1)[C@@H](O)C(=O)[O-] ZINC001234692637 1259563501 /nfs/dbraw/zinc/56/35/01/1259563501.db2.gz QIYBDUICYQGBGH-BXKDBHETSA-N -3 3 362.294 0.291 20 0 FCADHL O=C([O-])C[C@@H](C(=O)Oc1nc[n-]c(=O)c1-c1ccccc1)[C@H](O)C(=O)[O-] ZINC001234692645 1259564130 /nfs/dbraw/zinc/56/41/30/1259564130.db2.gz QIYBDUICYQGBGH-SKDRFNHKSA-N -3 3 362.294 0.291 20 0 FCADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC001337661082 1260450768 /nfs/dbraw/zinc/45/07/68/1260450768.db2.gz GOLBSPIMKLNVQT-UHFFFAOYSA-N -2 3 350.393 0.802 20 0 FCADHL O=C([N-]c1nnco1)c1noc2c1CN(C(=O)c1cncc([O-])c1)CC2 ZINC001278968509 1260764158 /nfs/dbraw/zinc/76/41/58/1260764158.db2.gz LFHRBRDHIDWWNL-UHFFFAOYSA-N -2 3 356.298 0.609 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580628295 1278578313 /nfs/dbraw/zinc/57/83/13/1278578313.db2.gz FTZOHJPZMLVPIV-JTQLQIEISA-N -2 3 369.389 0.320 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580628295 1278578319 /nfs/dbraw/zinc/57/83/19/1278578319.db2.gz FTZOHJPZMLVPIV-JTQLQIEISA-N -2 3 369.389 0.320 20 0 FCADHL C[C@H](NC(=O)c1ccccc1[O-])[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575336485 1271952062 /nfs/dbraw/zinc/95/20/62/1271952062.db2.gz FKCAUCOQDJARRX-UWVGGRQHSA-N -2 3 354.374 0.403 20 0 FCADHL C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575354844 1271983818 /nfs/dbraw/zinc/98/38/18/1271983818.db2.gz BJXMHAVUZVZPAO-ZJUUUORDSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575357313 1271993759 /nfs/dbraw/zinc/99/37/59/1271993759.db2.gz XQFNDEHELSKDDY-DTWKUNHWSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575357313 1271993768 /nfs/dbraw/zinc/99/37/68/1271993768.db2.gz XQFNDEHELSKDDY-DTWKUNHWSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ncccc1[O-] ZINC001576075614 1272845369 /nfs/dbraw/zinc/84/53/69/1272845369.db2.gz GXVDNEJBDUQBJX-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ncccc1[O-] ZINC001576075614 1272845378 /nfs/dbraw/zinc/84/53/78/1272845378.db2.gz GXVDNEJBDUQBJX-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001576351340 1273174555 /nfs/dbraw/zinc/17/45/55/1273174555.db2.gz LTFQVMNCJYBOHX-JQWIXIFHSA-N -2 3 366.385 0.935 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001576351340 1273174559 /nfs/dbraw/zinc/17/45/59/1273174559.db2.gz LTFQVMNCJYBOHX-JQWIXIFHSA-N -2 3 366.385 0.935 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001576351336 1273174712 /nfs/dbraw/zinc/17/47/12/1273174712.db2.gz LTFQVMNCJYBOHX-CMPLNLGQSA-N -2 3 366.385 0.935 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001576351336 1273174716 /nfs/dbraw/zinc/17/47/16/1273174716.db2.gz LTFQVMNCJYBOHX-CMPLNLGQSA-N -2 3 366.385 0.935 20 0 FCADHL CC[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001576866281 1273835627 /nfs/dbraw/zinc/83/56/27/1273835627.db2.gz DDNBGYYVSYPPCH-JTQLQIEISA-N -2 3 370.373 0.234 20 0 FCADHL CC[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001576866281 1273835632 /nfs/dbraw/zinc/83/56/32/1273835632.db2.gz DDNBGYYVSYPPCH-JTQLQIEISA-N -2 3 370.373 0.234 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576919101 1273939999 /nfs/dbraw/zinc/93/99/99/1273939999.db2.gz QFZWSMCKNNSQBH-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576919101 1273940004 /nfs/dbraw/zinc/94/00/04/1273940004.db2.gz QFZWSMCKNNSQBH-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576919554 1273941313 /nfs/dbraw/zinc/94/13/13/1273941313.db2.gz UJTZQAOSOSDTPJ-VIFPVBQESA-N -2 3 370.373 0.234 20 0 FCADHL CC[C@@H](O)[C@H]1CCCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576998842 1274032606 /nfs/dbraw/zinc/03/26/06/1274032606.db2.gz JXFRYRPBMMTCEM-CHWSQXEVSA-N -2 3 358.406 0.740 20 0 FCADHL CCCN(CCNC(=O)c1ncccc1[O-])c1ccnc(-c2nn[n-]n2)n1 ZINC001577657632 1274665899 /nfs/dbraw/zinc/66/58/99/1274665899.db2.gz CEDRKRIFFRIDCG-UHFFFAOYSA-N -2 3 369.389 0.404 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001578948899 1276492903 /nfs/dbraw/zinc/49/29/03/1276492903.db2.gz ADPAMYXPWWSJAW-GFCCVEGCSA-N -2 3 366.385 0.713 20 0 FCADHL CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579286791 1277109778 /nfs/dbraw/zinc/10/97/78/1277109778.db2.gz OZRZCJVMKVCVKH-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579286791 1277109781 /nfs/dbraw/zinc/10/97/81/1277109781.db2.gz OZRZCJVMKVCVKH-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL COC[C@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1CCCOC1 ZINC001579700799 1277796333 /nfs/dbraw/zinc/79/63/33/1277796333.db2.gz TUORIHGZPJNXEP-GWCFXTLKSA-N -2 3 374.405 0.146 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(N(C)CCNC(=O)c2ncccc2[O-])n1 ZINC001581063498 1279316471 /nfs/dbraw/zinc/31/64/71/1279316471.db2.gz RRZHYHWCYPMFCW-UHFFFAOYSA-N -2 3 354.374 0.537 20 0 FCADHL CC(C)C[C@H](CNC(=O)C(=O)Nc1sccc1-c1nnn[n-]1)C(=O)[O-] ZINC001603263999 1287342920 /nfs/dbraw/zinc/34/29/20/1287342920.db2.gz WHXIZWYFTLQHFI-MRVPVSSYSA-N -2 3 366.403 0.730 20 0 FCADHL CC(C)C[C@H](CNC(=O)C(=O)Nc1sccc1-c1nn[n-]n1)C(=O)[O-] ZINC001603263999 1287342925 /nfs/dbraw/zinc/34/29/25/1287342925.db2.gz WHXIZWYFTLQHFI-MRVPVSSYSA-N -2 3 366.403 0.730 20 0 FCADHL CC(C)N(CCC(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001603321336 1287355985 /nfs/dbraw/zinc/35/59/85/1287355985.db2.gz ZPJAWTQVKDYMNF-UHFFFAOYSA-N -2 3 357.367 0.880 20 0 FCADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnnn1C ZINC001603362324 1287361622 /nfs/dbraw/zinc/36/16/22/1287361622.db2.gz KAYXLMWFJTWYEB-UHFFFAOYSA-N -2 3 364.391 0.583 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)c1[O-] ZINC001581391695 1279822719 /nfs/dbraw/zinc/82/27/19/1279822719.db2.gz NCWLBGMNBWYPRJ-SSDOTTSWSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC2CC(CNc3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581391856 1279824397 /nfs/dbraw/zinc/82/43/97/1279824397.db2.gz YRIRDRVGSMQDPG-UHFFFAOYSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)c1[O-] ZINC001581391975 1279824422 /nfs/dbraw/zinc/82/44/22/1279824422.db2.gz QNEYUMRFMPEYPQ-VIFPVBQESA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)C)c1[O-] ZINC001581392210 1279825796 /nfs/dbraw/zinc/82/57/96/1279825796.db2.gz ZZNJHFXJKAKMGC-LLVKDONJSA-N -2 3 371.405 0.865 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)c1[O-] ZINC001581392818 1279829579 /nfs/dbraw/zinc/82/95/79/1279829579.db2.gz SSCSKPKGNUUJTP-KYZUINATSA-N -2 3 373.352 0.511 20 0 FCADHL C[C@@H](CN(C)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001603509597 1287395415 /nfs/dbraw/zinc/39/54/15/1287395415.db2.gz HIIUSWVBMUXONJ-QMMMGPOBSA-N -2 3 357.367 0.488 20 0 FCADHL C[C@@H](CN(C)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001603509597 1287395418 /nfs/dbraw/zinc/39/54/18/1287395418.db2.gz HIIUSWVBMUXONJ-QMMMGPOBSA-N -2 3 357.367 0.488 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001582133587 1281091484 /nfs/dbraw/zinc/09/14/84/1281091484.db2.gz LTSJJBHRBWSHCU-UHFFFAOYSA-N -2 3 372.414 0.974 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001582133587 1281091489 /nfs/dbraw/zinc/09/14/89/1281091489.db2.gz LTSJJBHRBWSHCU-UHFFFAOYSA-N -2 3 372.414 0.974 20 0 FCADHL O=C(N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1c[n-]n2c1nccc2=O ZINC001582337709 1281371000 /nfs/dbraw/zinc/37/10/00/1281371000.db2.gz RPKLZMNJXRPIDM-LBPRGKRZSA-N -2 3 362.353 0.100 20 0 FCADHL O=C(N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1c[n-]n2c1nccc2=O ZINC001582337709 1281371009 /nfs/dbraw/zinc/37/10/09/1281371009.db2.gz RPKLZMNJXRPIDM-LBPRGKRZSA-N -2 3 362.353 0.100 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844673 1287515586 /nfs/dbraw/zinc/51/55/86/1287515586.db2.gz IDSJCRQLTXHLTE-AAEUAGOBSA-N -2 3 374.401 0.998 20 0 FCADHL O=C(NCCSCc1ccccc1-c1nnn[n-]1)c1n[nH]c(=O)[n-]c1=O ZINC001582524648 1281706811 /nfs/dbraw/zinc/70/68/11/1281706811.db2.gz JHNJYQAJMZHIHE-UHFFFAOYSA-N -2 3 374.386 0.126 20 0 FCADHL O=C(NCCSCc1ccccc1-c1nn[n-]n1)c1n[nH]c(=O)[n-]c1=O ZINC001582524648 1281706816 /nfs/dbraw/zinc/70/68/16/1281706816.db2.gz JHNJYQAJMZHIHE-UHFFFAOYSA-N -2 3 374.386 0.126 20 0 FCADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001582546512 1281739117 /nfs/dbraw/zinc/73/91/17/1281739117.db2.gz YHFDGJHEAUSCHA-LBPRGKRZSA-N -2 3 369.389 0.780 20 0 FCADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001582546512 1281739124 /nfs/dbraw/zinc/73/91/24/1281739124.db2.gz YHFDGJHEAUSCHA-LBPRGKRZSA-N -2 3 369.389 0.780 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001582600646 1281789436 /nfs/dbraw/zinc/78/94/36/1281789436.db2.gz CIQWGZRFDZNCTE-DTORHVGOSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001582600646 1281789445 /nfs/dbraw/zinc/78/94/45/1281789445.db2.gz CIQWGZRFDZNCTE-DTORHVGOSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001582751327 1281976316 /nfs/dbraw/zinc/97/63/16/1281976316.db2.gz BMKKRKFRRQDTHO-SECBINFHSA-N -2 3 353.346 0.084 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001582751327 1281976317 /nfs/dbraw/zinc/97/63/17/1281976317.db2.gz BMKKRKFRRQDTHO-SECBINFHSA-N -2 3 353.346 0.084 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001582751800 1281979044 /nfs/dbraw/zinc/97/90/44/1281979044.db2.gz WYTXMLNIDZJWGP-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001582751800 1281979045 /nfs/dbraw/zinc/97/90/45/1281979045.db2.gz WYTXMLNIDZJWGP-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001582789949 1282006695 /nfs/dbraw/zinc/00/66/95/1282006695.db2.gz FUFFYVJPNKFFQS-UHFFFAOYSA-N -2 3 357.355 0.111 20 0 FCADHL O=C1c2ccccc2CCN1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001582789849 1282007148 /nfs/dbraw/zinc/00/71/48/1282007148.db2.gz BSQKWFCMYPHOGT-UHFFFAOYSA-N -2 3 371.382 0.154 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001604005816 1287551530 /nfs/dbraw/zinc/55/15/30/1287551530.db2.gz AEIPIUZTVDEXEO-SECBINFHSA-N -2 3 369.403 0.749 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001604005816 1287551534 /nfs/dbraw/zinc/55/15/34/1287551534.db2.gz AEIPIUZTVDEXEO-SECBINFHSA-N -2 3 369.403 0.749 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001604081883 1287567413 /nfs/dbraw/zinc/56/74/13/1287567413.db2.gz SCQQTYDEDKWTDI-CQSZACIVSA-N -2 3 369.378 0.881 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001604081883 1287567416 /nfs/dbraw/zinc/56/74/16/1287567416.db2.gz SCQQTYDEDKWTDI-CQSZACIVSA-N -2 3 369.378 0.881 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001604096297 1287569190 /nfs/dbraw/zinc/56/91/90/1287569190.db2.gz GRKQUMZMSLLUFB-ONGXEEELSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001589003113 1282764331 /nfs/dbraw/zinc/76/43/31/1282764331.db2.gz OGPULWOSEZELPS-VIFPVBQESA-N -2 3 366.403 0.129 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001589003113 1282764340 /nfs/dbraw/zinc/76/43/40/1282764340.db2.gz OGPULWOSEZELPS-VIFPVBQESA-N -2 3 366.403 0.129 20 0 FCADHL CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001589440547 1282880651 /nfs/dbraw/zinc/88/06/51/1282880651.db2.gz YWVVWDKVNAKDRB-LBPRGKRZSA-N -2 3 353.404 0.785 20 0 FCADHL CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001589440547 1282880660 /nfs/dbraw/zinc/88/06/60/1282880660.db2.gz YWVVWDKVNAKDRB-LBPRGKRZSA-N -2 3 353.404 0.785 20 0 FCADHL CC(C)C[C@H](CNc1cccc(S(N)(=O)=O)c1-c1nnn[n-]1)C(=O)[O-] ZINC001589556066 1282909705 /nfs/dbraw/zinc/90/97/05/1282909705.db2.gz FDMWCGWUOPUBJS-SECBINFHSA-N -2 3 368.419 0.673 20 0 FCADHL CC(C)C[C@H](CNc1cccc(S(N)(=O)=O)c1-c1nn[n-]n1)C(=O)[O-] ZINC001589556066 1282909710 /nfs/dbraw/zinc/90/97/10/1282909710.db2.gz FDMWCGWUOPUBJS-SECBINFHSA-N -2 3 368.419 0.673 20 0 FCADHL CC(C)CN(CC(=O)[O-])S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001589619895 1282915833 /nfs/dbraw/zinc/91/58/33/1282915833.db2.gz QWPWPNVMRIACMY-UHFFFAOYSA-N -2 3 371.394 0.878 20 0 FCADHL CC(C)CN(CC(=O)[O-])S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001589619895 1282915843 /nfs/dbraw/zinc/91/58/43/1282915843.db2.gz QWPWPNVMRIACMY-UHFFFAOYSA-N -2 3 371.394 0.878 20 0 FCADHL CC(C)N(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589682551 1282939736 /nfs/dbraw/zinc/93/97/36/1282939736.db2.gz QYJWRVXIKGWOQP-UHFFFAOYSA-N -2 3 357.367 0.880 20 0 FCADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001589764123 1282989188 /nfs/dbraw/zinc/98/91/88/1282989188.db2.gz VJWVKMSWJUTLNK-JTQLQIEISA-N -2 3 371.323 0.581 20 0 FCADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001589764123 1282989198 /nfs/dbraw/zinc/98/91/98/1282989198.db2.gz VJWVKMSWJUTLNK-JTQLQIEISA-N -2 3 371.323 0.581 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1N=NC(=O)N1C ZINC001604356647 1287612227 /nfs/dbraw/zinc/61/22/27/1287612227.db2.gz PODKUXTWDBDSQO-RXMQYKEDSA-N -2 3 362.314 0.537 20 0 FCADHL C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589802056 1283017932 /nfs/dbraw/zinc/01/79/32/1283017932.db2.gz HIUOIEWVPSWASI-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@@H](CCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001589815641 1283047654 /nfs/dbraw/zinc/04/76/54/1283047654.db2.gz GFXNEMBLZXQLQX-VIFPVBQESA-N -2 3 371.394 0.926 20 0 FCADHL C[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC001589831191 1283070337 /nfs/dbraw/zinc/07/03/37/1283070337.db2.gz SPJAALZMNKJFSY-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC001589831191 1283070342 /nfs/dbraw/zinc/07/03/42/1283070342.db2.gz SPJAALZMNKJFSY-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001589850313 1283087463 /nfs/dbraw/zinc/08/74/63/1283087463.db2.gz HZTXDUQRZJTQPD-LLVKDONJSA-N -2 3 374.401 0.441 20 0 FCADHL CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001589850313 1283087468 /nfs/dbraw/zinc/08/74/68/1283087468.db2.gz HZTXDUQRZJTQPD-LLVKDONJSA-N -2 3 374.401 0.441 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCCCO1 ZINC001590069212 1283199568 /nfs/dbraw/zinc/19/95/68/1283199568.db2.gz VYROLUIRJMMUPL-CQSZACIVSA-N -2 3 351.388 0.631 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCCCO1 ZINC001590069212 1283199569 /nfs/dbraw/zinc/19/95/69/1283199569.db2.gz VYROLUIRJMMUPL-CQSZACIVSA-N -2 3 351.388 0.631 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CCCCO1 ZINC001590069160 1283200377 /nfs/dbraw/zinc/20/03/77/1283200377.db2.gz UZXQMRBAPVJMOC-CYBMUJFWSA-N -2 3 352.376 0.026 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CCCCO1 ZINC001590069160 1283200385 /nfs/dbraw/zinc/20/03/85/1283200385.db2.gz UZXQMRBAPVJMOC-CYBMUJFWSA-N -2 3 352.376 0.026 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC001590070721 1283201296 /nfs/dbraw/zinc/20/12/96/1283201296.db2.gz BCJUKNCWBVNIFJ-HNNXBMFYSA-N -2 3 360.378 0.180 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC001590070721 1283201301 /nfs/dbraw/zinc/20/13/01/1283201301.db2.gz BCJUKNCWBVNIFJ-HNNXBMFYSA-N -2 3 360.378 0.180 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001590071288 1283202107 /nfs/dbraw/zinc/20/21/07/1283202107.db2.gz KZOOBEDSSPJJNQ-AWEZNQCLSA-N -2 3 351.388 0.493 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590071288 1283202109 /nfs/dbraw/zinc/20/21/09/1283202109.db2.gz KZOOBEDSSPJJNQ-AWEZNQCLSA-N -2 3 351.388 0.493 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590164086 1283256763 /nfs/dbraw/zinc/25/67/63/1283256763.db2.gz ACAVVPLXZZFMDS-BXKDBHETSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590180555 1283284498 /nfs/dbraw/zinc/28/44/98/1283284498.db2.gz HPQAGCMDOYAORY-RNCFNFMXSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590180555 1283284511 /nfs/dbraw/zinc/28/45/11/1283284511.db2.gz HPQAGCMDOYAORY-RNCFNFMXSA-N -2 3 363.399 0.677 20 0 FCADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1-c1nnn[n-]1 ZINC001604390560 1287630420 /nfs/dbraw/zinc/63/04/20/1287630420.db2.gz VGGYEUYJCQUMRN-UHFFFAOYSA-N -2 3 363.359 0.567 20 0 FCADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC001604390560 1287630424 /nfs/dbraw/zinc/63/04/24/1287630424.db2.gz VGGYEUYJCQUMRN-UHFFFAOYSA-N -2 3 363.359 0.567 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001590186117 1283292074 /nfs/dbraw/zinc/29/20/74/1283292074.db2.gz RTYDYSWUEFOKQB-UWVGGRQHSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001590186117 1283292083 /nfs/dbraw/zinc/29/20/83/1283292083.db2.gz RTYDYSWUEFOKQB-UWVGGRQHSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC001590186060 1283292632 /nfs/dbraw/zinc/29/26/32/1283292632.db2.gz REGUEBYBTAWRQI-GWCFXTLKSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590186060 1283292641 /nfs/dbraw/zinc/29/26/41/1283292641.db2.gz REGUEBYBTAWRQI-GWCFXTLKSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590185746 1283293332 /nfs/dbraw/zinc/29/33/32/1283293332.db2.gz PGJVXJJYCGRTEX-PWSUYJOCSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590185746 1283293342 /nfs/dbraw/zinc/29/33/42/1283293342.db2.gz PGJVXJJYCGRTEX-PWSUYJOCSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001590274985 1283400647 /nfs/dbraw/zinc/40/06/47/1283400647.db2.gz UBBIASGYRWXTEP-LDYMZIIASA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001590274985 1283400649 /nfs/dbraw/zinc/40/06/49/1283400649.db2.gz UBBIASGYRWXTEP-LDYMZIIASA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[C@H]1C(=O)[O-] ZINC001590285669 1283415087 /nfs/dbraw/zinc/41/50/87/1283415087.db2.gz UGXRDJGJSOCADA-BXKDBHETSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@H]1C(=O)[O-] ZINC001590285669 1283415094 /nfs/dbraw/zinc/41/50/94/1283415094.db2.gz UGXRDJGJSOCADA-BXKDBHETSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC[C@H]1C(=O)[O-] ZINC001590308592 1283453394 /nfs/dbraw/zinc/45/33/94/1283453394.db2.gz HPMZYZWIFWTJBD-BXKDBHETSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1C(=O)[O-] ZINC001590308592 1283453397 /nfs/dbraw/zinc/45/33/97/1283453397.db2.gz HPMZYZWIFWTJBD-BXKDBHETSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001590312623 1283457268 /nfs/dbraw/zinc/45/72/68/1283457268.db2.gz JTZODLDBOOUACY-LNLATYFQSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001590312623 1283457273 /nfs/dbraw/zinc/45/72/73/1283457273.db2.gz JTZODLDBOOUACY-LNLATYFQSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590326980 1283470112 /nfs/dbraw/zinc/47/01/12/1283470112.db2.gz YYVBENWZCHOAQY-BXKDBHETSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590326980 1283470117 /nfs/dbraw/zinc/47/01/17/1283470117.db2.gz YYVBENWZCHOAQY-BXKDBHETSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590336133 1283483157 /nfs/dbraw/zinc/48/31/57/1283483157.db2.gz JQZOSBKLGNDYNZ-XCBNKYQSSA-N -2 3 355.401 0.403 20 0 FCADHL C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590336133 1283483164 /nfs/dbraw/zinc/48/31/64/1283483164.db2.gz JQZOSBKLGNDYNZ-XCBNKYQSSA-N -2 3 355.401 0.403 20 0 FCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001590414840 1283529212 /nfs/dbraw/zinc/52/92/12/1283529212.db2.gz AVENQSZMTDCPQX-SECBINFHSA-N -2 3 352.420 0.791 20 0 FCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001590414840 1283529219 /nfs/dbraw/zinc/52/92/19/1283529219.db2.gz AVENQSZMTDCPQX-SECBINFHSA-N -2 3 352.420 0.791 20 0 FCADHL CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001590436693 1283535935 /nfs/dbraw/zinc/53/59/35/1283535935.db2.gz ZKLPDMRPWXPDSZ-VIFPVBQESA-N -2 3 357.367 0.928 20 0 FCADHL CCC[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001590652563 1283705490 /nfs/dbraw/zinc/70/54/90/1283705490.db2.gz XLRNGXDAPZOOFW-LLVKDONJSA-N -2 3 357.367 0.679 20 0 FCADHL CCCn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)ccc1=O ZINC001590663974 1283711776 /nfs/dbraw/zinc/71/17/76/1283711776.db2.gz HBHUXYYYSIKKMV-UHFFFAOYSA-N -2 3 350.360 0.832 20 0 FCADHL CCCn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)ccc1=O ZINC001590663974 1283711786 /nfs/dbraw/zinc/71/17/86/1283711786.db2.gz HBHUXYYYSIKKMV-UHFFFAOYSA-N -2 3 350.360 0.832 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590677024 1283725013 /nfs/dbraw/zinc/72/50/13/1283725013.db2.gz QZSSFADJMKSECF-MRVPVSSYSA-N -2 3 357.367 0.880 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590677024 1283725023 /nfs/dbraw/zinc/72/50/23/1283725023.db2.gz QZSSFADJMKSECF-MRVPVSSYSA-N -2 3 357.367 0.880 20 0 FCADHL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001590680699 1283728375 /nfs/dbraw/zinc/72/83/75/1283728375.db2.gz IARXDQPQLCIEQT-VIFPVBQESA-N -2 3 371.394 0.878 20 0 FCADHL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001590680699 1283728385 /nfs/dbraw/zinc/72/83/85/1283728385.db2.gz IARXDQPQLCIEQT-VIFPVBQESA-N -2 3 371.394 0.878 20 0 FCADHL CCN1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1=O ZINC001590732423 1283766026 /nfs/dbraw/zinc/76/60/26/1283766026.db2.gz KTCAMFJBDFREML-JTQLQIEISA-N -2 3 372.357 0.044 20 0 FCADHL CCOC(=O)[C@H]1CCCN(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590756743 1283816546 /nfs/dbraw/zinc/81/65/46/1283816546.db2.gz AGTFHZGRPXFIRJ-ZDUSSCGKSA-N -2 3 374.401 0.552 20 0 FCADHL CCO[N-]C(=O)CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001590818539 1283900135 /nfs/dbraw/zinc/90/01/35/1283900135.db2.gz DQLZMSPWCPTUMP-ZDUSSCGKSA-N -2 3 359.390 0.019 20 0 FCADHL CCn1ncnc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590971188 1284028933 /nfs/dbraw/zinc/02/89/33/1284028933.db2.gz NIMIFPBOMAWTMG-UHFFFAOYSA-N -2 3 370.345 0.235 20 0 FCADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001591213774 1284346296 /nfs/dbraw/zinc/34/62/96/1284346296.db2.gz VYORWZQHWUGVIK-UHFFFAOYSA-N -2 3 359.371 0.422 20 0 FCADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001591213774 1284346302 /nfs/dbraw/zinc/34/63/02/1284346302.db2.gz VYORWZQHWUGVIK-UHFFFAOYSA-N -2 3 359.371 0.422 20 0 FCADHL COC(=O)[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H](C(=O)[O-])C1 ZINC001591253372 1284409592 /nfs/dbraw/zinc/40/95/92/1284409592.db2.gz SEQOCUHGXSAGGQ-PWSUYJOCSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H](C(=O)[O-])C1 ZINC001591253372 1284409593 /nfs/dbraw/zinc/40/95/93/1284409593.db2.gz SEQOCUHGXSAGGQ-PWSUYJOCSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)C[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001591270121 1284424120 /nfs/dbraw/zinc/42/41/20/1284424120.db2.gz KRCAXYVWFVWJDY-LURJTMIESA-N -2 3 361.330 0.375 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cn1 ZINC001591298346 1284449792 /nfs/dbraw/zinc/44/97/92/1284449792.db2.gz LRRQIBKXBSAIQC-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001591296080 1284451004 /nfs/dbraw/zinc/45/10/04/1284451004.db2.gz ABATWJOWJBBSQM-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001591370955 1284508574 /nfs/dbraw/zinc/50/85/74/1284508574.db2.gz JTSSFKVUTSFISA-TWGQIWQCSA-N -2 3 351.388 0.573 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001591370955 1284508581 /nfs/dbraw/zinc/50/85/81/1284508581.db2.gz JTSSFKVUTSFISA-TWGQIWQCSA-N -2 3 351.388 0.573 20 0 FCADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC001604677568 1287725609 /nfs/dbraw/zinc/72/56/09/1287725609.db2.gz SKJQPFWYHAAWPM-GZMMTYOYSA-N -2 3 368.371 0.184 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC001591632889 1284772023 /nfs/dbraw/zinc/77/20/23/1284772023.db2.gz HZONYXZUJCDRCL-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC001591632889 1284772028 /nfs/dbraw/zinc/77/20/28/1284772028.db2.gz HZONYXZUJCDRCL-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001591668484 1284799760 /nfs/dbraw/zinc/79/97/60/1284799760.db2.gz KBHLHOBTQFIPAF-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001591668484 1284799769 /nfs/dbraw/zinc/79/97/69/1284799769.db2.gz KBHLHOBTQFIPAF-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)o1 ZINC001591707687 1284849673 /nfs/dbraw/zinc/84/96/73/1284849673.db2.gz YZKYRQFBEZSFQD-UHFFFAOYSA-N -2 3 366.384 0.695 20 0 FCADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)o1 ZINC001591707687 1284849684 /nfs/dbraw/zinc/84/96/84/1284849684.db2.gz YZKYRQFBEZSFQD-UHFFFAOYSA-N -2 3 366.384 0.695 20 0 FCADHL Cc1c([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cccc1C(N)=O ZINC001591828438 1284931288 /nfs/dbraw/zinc/93/12/88/1284931288.db2.gz KAXHWHYUYIILPQ-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1c([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cccc1C(N)=O ZINC001591828438 1284931295 /nfs/dbraw/zinc/93/12/95/1284931295.db2.gz KAXHWHYUYIILPQ-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001591989698 1285045209 /nfs/dbraw/zinc/04/52/09/1285045209.db2.gz XZZYWIJNMYTGHC-VIFPVBQESA-N -2 3 369.378 0.800 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)ccc1-c1nnn[n-]1 ZINC001592064123 1285103275 /nfs/dbraw/zinc/10/32/75/1285103275.db2.gz TYNNCHCNKWGSFQ-BXKDBHETSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)ccc1-c1nn[n-]n1 ZINC001592064123 1285103285 /nfs/dbraw/zinc/10/32/85/1285103285.db2.gz TYNNCHCNKWGSFQ-BXKDBHETSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(S(=O)(=O)NCC[C@@H](C)CC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592065163 1285104513 /nfs/dbraw/zinc/10/45/13/1285104513.db2.gz GGGGDTGYPFHAIS-SECBINFHSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(S(=O)(=O)NCC[C@@H](C)CC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592065163 1285104520 /nfs/dbraw/zinc/10/45/20/1285104520.db2.gz GGGGDTGYPFHAIS-SECBINFHSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592066726 1285108563 /nfs/dbraw/zinc/10/85/63/1285108563.db2.gz ZLJKRHZZEWBRPK-VIFPVBQESA-N -2 3 361.330 0.562 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592066726 1285108564 /nfs/dbraw/zinc/10/85/64/1285108564.db2.gz ZLJKRHZZEWBRPK-VIFPVBQESA-N -2 3 361.330 0.562 20 0 FCADHL Cc1cc2c(cc1S(=O)(=O)[N-]c1c(-c3nnn[n-]3)cnn1C)OCO2 ZINC001592070245 1285109836 /nfs/dbraw/zinc/10/98/36/1285109836.db2.gz IJVNRVMOKONANP-UHFFFAOYSA-N -2 3 363.359 0.438 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(N(C)CCCNC(=O)c2ncccc2[O-])n1 ZINC001592077098 1285115669 /nfs/dbraw/zinc/11/56/69/1285115669.db2.gz SPWJURULACANCL-UHFFFAOYSA-N -2 3 368.401 0.927 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C[C@H]1CCCO1 ZINC001592109364 1285143170 /nfs/dbraw/zinc/14/31/70/1285143170.db2.gz HSHXSQWOBDQUNP-ZHRWSRJISA-N -2 3 363.399 0.715 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C[C@H]1CCCO1 ZINC001592109364 1285143175 /nfs/dbraw/zinc/14/31/75/1285143175.db2.gz HSHXSQWOBDQUNP-ZHRWSRJISA-N -2 3 363.399 0.715 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@@H]2CC[C@]2(C(=O)[O-])C1 ZINC001592109625 1285143872 /nfs/dbraw/zinc/14/38/72/1285143872.db2.gz UMWDBGQAOMUYNK-NHYWBVRUSA-N -2 3 363.399 0.660 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@@H]2CC[C@]2(C(=O)[O-])C1 ZINC001592109625 1285143879 /nfs/dbraw/zinc/14/38/79/1285143879.db2.gz UMWDBGQAOMUYNK-NHYWBVRUSA-N -2 3 363.399 0.660 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001592111177 1285147297 /nfs/dbraw/zinc/14/72/97/1285147297.db2.gz WCGACVJFUDIZPS-NSHDSACASA-N -2 3 351.388 0.707 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001592111177 1285147299 /nfs/dbraw/zinc/14/72/99/1285147299.db2.gz WCGACVJFUDIZPS-NSHDSACASA-N -2 3 351.388 0.707 20 0 FCADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001592132884 1285156840 /nfs/dbraw/zinc/15/68/40/1285156840.db2.gz OUQGGRKLXNGICH-UHFFFAOYSA-N -2 3 374.382 0.747 20 0 FCADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001592132884 1285156847 /nfs/dbraw/zinc/15/68/47/1285156847.db2.gz OUQGGRKLXNGICH-UHFFFAOYSA-N -2 3 374.382 0.747 20 0 FCADHL Cc1cccc(=O)n1C[C@](C)(O)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592218028 1285186315 /nfs/dbraw/zinc/18/63/15/1285186315.db2.gz IYTFRPTYZGFMNF-KRWDZBQOSA-N -2 3 370.369 0.198 20 0 FCADHL Cc1cccc(=O)n1C[C@](C)(O)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592218028 1285186322 /nfs/dbraw/zinc/18/63/22/1285186322.db2.gz IYTFRPTYZGFMNF-KRWDZBQOSA-N -2 3 370.369 0.198 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1-c1nnn[n-]1 ZINC001592239429 1285195283 /nfs/dbraw/zinc/19/52/83/1285195283.db2.gz NPNQSEKGFGYGLD-VHSXEESVSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1-c1nn[n-]n1 ZINC001592239429 1285195291 /nfs/dbraw/zinc/19/52/91/1285195291.db2.gz NPNQSEKGFGYGLD-VHSXEESVSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@H](C)[C@@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001592239499 1285196550 /nfs/dbraw/zinc/19/65/50/1285196550.db2.gz RBASMEJZQXPINV-JOYOIKCWSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@H](C)[C@@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001592239499 1285196554 /nfs/dbraw/zinc/19/65/54/1285196554.db2.gz RBASMEJZQXPINV-JOYOIKCWSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cnc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c([O-])c1 ZINC001592288349 1285216381 /nfs/dbraw/zinc/21/63/81/1285216381.db2.gz DRVLAIOTZUCHBJ-UHFFFAOYSA-N -2 3 366.385 0.633 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001592402722 1285314801 /nfs/dbraw/zinc/31/48/01/1285314801.db2.gz WGIYURLDTVZZKV-UHFFFAOYSA-N -2 3 368.361 0.147 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001592402722 1285314812 /nfs/dbraw/zinc/31/48/12/1285314812.db2.gz WGIYURLDTVZZKV-UHFFFAOYSA-N -2 3 368.361 0.147 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1-c1nnn[n-]1 ZINC001592412668 1285328399 /nfs/dbraw/zinc/32/83/99/1285328399.db2.gz IWPQRSZKIWRNAU-LDYMZIIASA-N -2 3 366.403 0.301 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001592412668 1285328406 /nfs/dbraw/zinc/32/84/06/1285328406.db2.gz IWPQRSZKIWRNAU-LDYMZIIASA-N -2 3 366.403 0.301 20 0 FCADHL C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001604787360 1287779654 /nfs/dbraw/zinc/77/96/54/1287779654.db2.gz BAGRVWFWTJHNOI-VIFPVBQESA-N -2 3 353.341 0.451 20 0 FCADHL C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001604787359 1287780277 /nfs/dbraw/zinc/78/02/77/1287780277.db2.gz BAGRVWFWTJHNOI-SECBINFHSA-N -2 3 353.341 0.451 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC001592459577 1285400107 /nfs/dbraw/zinc/40/01/07/1285400107.db2.gz JFVQHNKERPQFMS-VOTSOKGWSA-N -2 3 374.382 0.990 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC001592459577 1285400109 /nfs/dbraw/zinc/40/01/09/1285400109.db2.gz JFVQHNKERPQFMS-VOTSOKGWSA-N -2 3 374.382 0.990 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001592459987 1285400165 /nfs/dbraw/zinc/40/01/65/1285400165.db2.gz YSYOUFYWKJVCHG-UHFFFAOYSA-N -2 3 362.371 0.899 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001592459987 1285400171 /nfs/dbraw/zinc/40/01/71/1285400171.db2.gz YSYOUFYWKJVCHG-UHFFFAOYSA-N -2 3 362.371 0.899 20 0 FCADHL Cc1noc(C[N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC001592462474 1285401536 /nfs/dbraw/zinc/40/15/36/1285401536.db2.gz OOJBFMZRSSDSCK-UHFFFAOYSA-N -2 3 357.302 0.315 20 0 FCADHL Cc1noc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC001592462474 1285401543 /nfs/dbraw/zinc/40/15/43/1285401543.db2.gz OOJBFMZRSSDSCK-UHFFFAOYSA-N -2 3 357.302 0.315 20 0 FCADHL CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1c[n-]n2c1nccc2=O ZINC001604800654 1287785128 /nfs/dbraw/zinc/78/51/28/1287785128.db2.gz DIMHZDSFSQSVQY-UHFFFAOYSA-N -2 3 356.371 0.536 20 0 FCADHL CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1c[n-]n2c1nccc2=O ZINC001604800654 1287785130 /nfs/dbraw/zinc/78/51/30/1287785130.db2.gz DIMHZDSFSQSVQY-UHFFFAOYSA-N -2 3 356.371 0.536 20 0 FCADHL Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001592570327 1285485483 /nfs/dbraw/zinc/48/54/83/1285485483.db2.gz PWCJXXCTIZMWHK-QWRGUYRKSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001592570327 1285485486 /nfs/dbraw/zinc/48/54/86/1285485486.db2.gz PWCJXXCTIZMWHK-QWRGUYRKSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)c1C(=O)[O-] ZINC001592602360 1285537694 /nfs/dbraw/zinc/53/76/94/1285537694.db2.gz NVHCHDKEBCIRSS-UHFFFAOYSA-N -3 3 355.361 0.161 20 0 FCADHL Cn1ncc2c1N(CCc1ccc(-c3nnn[n-]3)cc1)S(=O)(=O)C=C2[O-] ZINC001592603702 1285540508 /nfs/dbraw/zinc/54/05/08/1285540508.db2.gz SMLXCRACASFGGB-UHFFFAOYSA-N -2 3 373.398 0.175 20 0 FCADHL Cn1ncc2c1N(CCc1ccc(-c3nn[n-]n3)cc1)S(=O)(=O)C=C2[O-] ZINC001592603702 1285540517 /nfs/dbraw/zinc/54/05/17/1285540517.db2.gz SMLXCRACASFGGB-UHFFFAOYSA-N -2 3 373.398 0.175 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001592606788 1285545285 /nfs/dbraw/zinc/54/52/85/1285545285.db2.gz JXOOFQILTVVMRV-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001592606788 1285545294 /nfs/dbraw/zinc/54/52/94/1285545294.db2.gz JXOOFQILTVVMRV-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592716546 1285605533 /nfs/dbraw/zinc/60/55/33/1285605533.db2.gz LVZSAKCSGSYQSR-NWDGAFQWSA-N -2 3 369.389 0.096 20 0 FCADHL NC(=O)Nc1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001592732745 1285644723 /nfs/dbraw/zinc/64/47/23/1285644723.db2.gz IVORRLSUVXTFJS-UHFFFAOYSA-N -2 3 360.359 0.553 20 0 FCADHL NC(=O)Nc1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001592732745 1285644735 /nfs/dbraw/zinc/64/47/35/1285644735.db2.gz IVORRLSUVXTFJS-UHFFFAOYSA-N -2 3 360.359 0.553 20 0 FCADHL Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1NC(=O)c1ncccc1[O-] ZINC001592754623 1285678061 /nfs/dbraw/zinc/67/80/61/1285678061.db2.gz PTWOOWLEGKBAQR-UHFFFAOYSA-N -2 3 363.341 0.988 20 0 FCADHL Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1NC(=O)c1ncccc1[O-] ZINC001592754623 1285678064 /nfs/dbraw/zinc/67/80/64/1285678064.db2.gz PTWOOWLEGKBAQR-UHFFFAOYSA-N -2 3 363.341 0.988 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592823584 1285739640 /nfs/dbraw/zinc/73/96/40/1285739640.db2.gz WQLWNIBEVFZRFK-GFCCVEGCSA-N -2 3 351.388 0.382 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592823584 1285739644 /nfs/dbraw/zinc/73/96/44/1285739644.db2.gz WQLWNIBEVFZRFK-GFCCVEGCSA-N -2 3 351.388 0.382 20 0 FCADHL O=C(CCOCC(F)F)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592845848 1285754627 /nfs/dbraw/zinc/75/46/27/1285754627.db2.gz MYCWPSLWMKMNMH-UHFFFAOYSA-N -2 3 361.330 0.343 20 0 FCADHL O=C(CCOCC(F)F)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592845848 1285754634 /nfs/dbraw/zinc/75/46/34/1285754634.db2.gz MYCWPSLWMKMNMH-UHFFFAOYSA-N -2 3 361.330 0.343 20 0 FCADHL O=C(CCc1cncs1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592856036 1285759547 /nfs/dbraw/zinc/75/95/47/1285759547.db2.gz UINHVJQIJIZHGQ-UHFFFAOYSA-N -2 3 364.412 0.761 20 0 FCADHL O=C(CCc1cncs1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592856036 1285759552 /nfs/dbraw/zinc/75/95/52/1285759552.db2.gz UINHVJQIJIZHGQ-UHFFFAOYSA-N -2 3 364.412 0.761 20 0 FCADHL O=C(CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001592868052 1285774448 /nfs/dbraw/zinc/77/44/48/1285774448.db2.gz UWPLAQFUTJDFCA-NSHDSACASA-N -2 3 369.389 0.509 20 0 FCADHL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001592888749 1285795256 /nfs/dbraw/zinc/79/52/56/1285795256.db2.gz DXSFCAVWQIFZOH-SECBINFHSA-N -2 3 359.264 0.767 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[N-]OC/C=C/Cl ZINC001592901517 1285802594 /nfs/dbraw/zinc/80/25/94/1285802594.db2.gz FUXXPYTZRRJRHR-LZCJLJQNSA-N -2 3 371.806 0.582 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[N-]OC/C=C/Cl ZINC001592901517 1285802602 /nfs/dbraw/zinc/80/26/02/1285802602.db2.gz FUXXPYTZRRJRHR-LZCJLJQNSA-N -2 3 371.806 0.582 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001592913527 1285808268 /nfs/dbraw/zinc/80/82/68/1285808268.db2.gz LBRJUUUFYJXCGY-UHFFFAOYSA-N -2 3 355.362 0.034 20 0 FCADHL O=C([O-])C1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CCC1 ZINC001593017166 1285900018 /nfs/dbraw/zinc/90/00/18/1285900018.db2.gz OQAXCUJZSRKQLK-UHFFFAOYSA-N -2 3 362.321 0.315 20 0 FCADHL O=C([O-])C1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CCC1 ZINC001593017166 1285900021 /nfs/dbraw/zinc/90/00/21/1285900021.db2.gz OQAXCUJZSRKQLK-UHFFFAOYSA-N -2 3 362.321 0.315 20 0 FCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001593079968 1285977796 /nfs/dbraw/zinc/97/77/96/1285977796.db2.gz BEVQWMICAGSTBU-UHFFFAOYSA-N -2 3 354.374 0.471 20 0 FCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001593079968 1285977800 /nfs/dbraw/zinc/97/78/00/1285977800.db2.gz BEVQWMICAGSTBU-UHFFFAOYSA-N -2 3 354.374 0.471 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001593128833 1286016708 /nfs/dbraw/zinc/01/67/08/1286016708.db2.gz LCWZJWPYMOMJMD-MLGOLLRUSA-N -2 3 358.358 0.109 20 0 FCADHL O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001593142226 1286018469 /nfs/dbraw/zinc/01/84/69/1286018469.db2.gz BLWJTRHDLQOZBX-LBPRGKRZSA-N -2 3 369.389 0.780 20 0 FCADHL O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001593142226 1286018471 /nfs/dbraw/zinc/01/84/71/1286018471.db2.gz BLWJTRHDLQOZBX-LBPRGKRZSA-N -2 3 369.389 0.780 20 0 FCADHL O=C([N-]S(=O)(=O)c1cnccn1)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001593172745 1286026639 /nfs/dbraw/zinc/02/66/39/1286026639.db2.gz MYOGOVHWXCFPEU-UHFFFAOYSA-N -2 3 371.382 0.193 20 0 FCADHL O=C([N-]S(=O)(=O)c1cnccn1)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001593172745 1286026644 /nfs/dbraw/zinc/02/66/44/1286026644.db2.gz MYOGOVHWXCFPEU-UHFFFAOYSA-N -2 3 371.382 0.193 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001593272287 1286056214 /nfs/dbraw/zinc/05/62/14/1286056214.db2.gz AAEWSLJVCFPZMA-VXNVDRBHSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001593272287 1286056216 /nfs/dbraw/zinc/05/62/16/1286056216.db2.gz AAEWSLJVCFPZMA-VXNVDRBHSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3cc(F)cc(-c4nnn[n-]4)c3)CC[C@@H]21 ZINC001593273413 1286057013 /nfs/dbraw/zinc/05/70/13/1286057013.db2.gz GROLVLKSDMCRKA-QJPTWQEYSA-N -2 3 367.362 0.347 20 0 FCADHL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3cc(F)cc(-c4nn[n-]n4)c3)CC[C@@H]21 ZINC001593273413 1286057020 /nfs/dbraw/zinc/05/70/20/1286057020.db2.gz GROLVLKSDMCRKA-QJPTWQEYSA-N -2 3 367.362 0.347 20 0 FCADHL O=C([O-])C[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC001593277207 1286060673 /nfs/dbraw/zinc/06/06/73/1286060673.db2.gz UITMSIKKBLYAQY-LBPRGKRZSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC001593276890 1286060905 /nfs/dbraw/zinc/06/09/05/1286060905.db2.gz QPHWVRDHUUSKFB-SNVBAGLBSA-N -2 3 352.738 0.837 20 0 FCADHL O=C([O-])[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC001593276890 1286060906 /nfs/dbraw/zinc/06/09/06/1286060906.db2.gz QPHWVRDHUUSKFB-SNVBAGLBSA-N -2 3 352.738 0.837 20 0 FCADHL O=C([O-])CN(CC1CC1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593278438 1286061794 /nfs/dbraw/zinc/06/17/94/1286061794.db2.gz FNYNMXCLBHKZBE-UHFFFAOYSA-N -2 3 355.351 0.491 20 0 FCADHL O=C([O-])CN(C1CCCC1)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001593278844 1286062153 /nfs/dbraw/zinc/06/21/53/1286062153.db2.gz YVHJEWZXHGMEDP-UHFFFAOYSA-N -2 3 352.376 0.280 20 0 FCADHL O=C([O-])CN(C1CCCC1)S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001593278844 1286062154 /nfs/dbraw/zinc/06/21/54/1286062154.db2.gz YVHJEWZXHGMEDP-UHFFFAOYSA-N -2 3 352.376 0.280 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CCCN2S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001593278898 1286062172 /nfs/dbraw/zinc/06/21/72/1286062172.db2.gz FYJNTOBXUWKXMY-ABAIWWIYSA-N -2 3 363.399 0.636 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CCCN2S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001593278898 1286062173 /nfs/dbraw/zinc/06/21/73/1286062173.db2.gz FYJNTOBXUWKXMY-ABAIWWIYSA-N -2 3 363.399 0.636 20 0 FCADHL O=C([O-])[C@@H]1CSCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001593278896 1286062200 /nfs/dbraw/zinc/06/22/00/1286062200.db2.gz FVFAOWUANKTZAA-JTQLQIEISA-N -2 3 373.391 0.295 20 0 FCADHL O=C([O-])[C@@H]1CSCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593278896 1286062201 /nfs/dbraw/zinc/06/22/01/1286062201.db2.gz FVFAOWUANKTZAA-JTQLQIEISA-N -2 3 373.391 0.295 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001593279485 1286063478 /nfs/dbraw/zinc/06/34/78/1286063478.db2.gz NHJZNPJOPLLDMA-NEPJUHHUSA-N -2 3 351.388 0.788 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001593279485 1286063480 /nfs/dbraw/zinc/06/34/80/1286063480.db2.gz NHJZNPJOPLLDMA-NEPJUHHUSA-N -2 3 351.388 0.788 20 0 FCADHL O=C([O-])c1ccc(N2CCN(c3cnccc3-c3nnn[n-]3)CC2)nc1 ZINC001593283156 1286064700 /nfs/dbraw/zinc/06/47/00/1286064700.db2.gz MOOYMTCVHHFHRL-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])c1ccc(N2CCN(c3cnccc3-c3nn[n-]n3)CC2)nc1 ZINC001593283156 1286064703 /nfs/dbraw/zinc/06/47/03/1286064703.db2.gz MOOYMTCVHHFHRL-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([N-]CC1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2F)C1)C(F)(F)F ZINC001593336505 1286081526 /nfs/dbraw/zinc/08/15/26/1286081526.db2.gz RQWHGGZYNWVXCA-UHFFFAOYSA-N -2 3 372.282 0.756 20 0 FCADHL O=c1[n-]c(S[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n[nH]1 ZINC001593383411 1286104801 /nfs/dbraw/zinc/10/48/01/1286104801.db2.gz ZSZFOYWOTIYASW-JTQLQIEISA-N -2 3 358.387 0.978 20 0 FCADHL O=c1[n-]c(S[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n[nH]1 ZINC001593383411 1286104808 /nfs/dbraw/zinc/10/48/08/1286104808.db2.gz ZSZFOYWOTIYASW-JTQLQIEISA-N -2 3 358.387 0.978 20 0 FCADHL O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)ccc2N1 ZINC001593396963 1286118096 /nfs/dbraw/zinc/11/80/96/1286118096.db2.gz IOLIFCYRTWGCQV-UHFFFAOYSA-N -2 3 371.382 0.947 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)c1ccc2c(c1)CCO2 ZINC001598711426 1286399008 /nfs/dbraw/zinc/39/90/08/1286399008.db2.gz YFDXYPPPLXKPDF-ZDUSSCGKSA-N -2 3 369.395 0.620 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC(CO)C1 ZINC001598724084 1286401266 /nfs/dbraw/zinc/40/12/66/1286401266.db2.gz KAYBFJWTLJQXEY-UHFFFAOYSA-N -2 3 357.384 0.118 20 0 FCADHL Cc1c([O-])ccc2c(CN3CCC[C@H]3C(=O)NCC(=O)[O-])cc(=O)oc12 ZINC001600057271 1286434044 /nfs/dbraw/zinc/43/40/44/1286434044.db2.gz VTQUSDRYIILFIY-ZDUSSCGKSA-N -2 3 360.366 0.972 20 0 FCADHL Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001600065702 1286434896 /nfs/dbraw/zinc/43/48/96/1286434896.db2.gz XONAJRHVBYUEBL-UHFFFAOYSA-N -2 3 359.386 0.830 20 0 FCADHL CO[C@](C)(C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001609307380 1289078450 /nfs/dbraw/zinc/07/84/50/1289078450.db2.gz YSIOKHYMBMMCMS-HNNXBMFYSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@](C)(C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001609307380 1289078454 /nfs/dbraw/zinc/07/84/54/1289078454.db2.gz YSIOKHYMBMMCMS-HNNXBMFYSA-N -2 3 365.415 0.628 20 0 FCADHL COC(=O)c1csc(S(=O)(=O)[N-]c2ncccc2-c2nnn[n-]2)c1 ZINC001609306684 1289079007 /nfs/dbraw/zinc/07/90/07/1289079007.db2.gz WTUVUAJAZKYRON-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COC(=O)c1csc(S(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)c1 ZINC001609306684 1289079012 /nfs/dbraw/zinc/07/90/12/1289079012.db2.gz WTUVUAJAZKYRON-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CO)Cc2cccc(C)c2)c1C(=O)[O-] ZINC001600528956 1286501802 /nfs/dbraw/zinc/50/18/02/1286501802.db2.gz HHPRHWXFBUUHCG-GFCCVEGCSA-N -2 3 353.400 0.607 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2cccc3nsnc32)c1C(=O)[O-] ZINC001600673715 1286524952 /nfs/dbraw/zinc/52/49/52/1286524952.db2.gz MBIGKWOCJSOKIY-UHFFFAOYSA-N -2 3 353.385 0.900 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2cccnc2-n2ccnc2)c1C(=O)[O-] ZINC001600673610 1286525261 /nfs/dbraw/zinc/52/52/61/1286525261.db2.gz KMGFEJPQUBZAQT-UHFFFAOYSA-N -2 3 362.371 0.476 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCn2c(=O)oc3ccccc32)c1C(=O)[O-] ZINC001600674583 1286525852 /nfs/dbraw/zinc/52/58/52/1286525852.db2.gz TWLOMCMTUQSWQS-UHFFFAOYSA-N -2 3 366.355 0.303 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2(C(=O)NCC3CC3)CCCC2)c1C(=O)[O-] ZINC001600674371 1286526303 /nfs/dbraw/zinc/52/63/03/1286526303.db2.gz ZVVUFTNONVMYTG-UHFFFAOYSA-N -2 3 370.431 0.534 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCS(=O)(=O)c2ccccc2)c1C(=O)[O-] ZINC001600674746 1286526481 /nfs/dbraw/zinc/52/64/81/1286526481.db2.gz VUVBKQVNHUNVED-UHFFFAOYSA-N -2 3 373.412 0.169 20 0 FCADHL Cc1nc(C)c(CC(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)c(=O)[n-]1 ZINC001600691805 1286527391 /nfs/dbraw/zinc/52/73/91/1286527391.db2.gz QVYQLEXFIRTDGD-UHFFFAOYSA-N -2 3 372.381 0.724 20 0 FCADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)sc1C(N)=O ZINC001600701941 1286529393 /nfs/dbraw/zinc/52/93/93/1286529393.db2.gz SDLHJRSWICDCBR-UHFFFAOYSA-N -2 3 373.387 0.866 20 0 FCADHL Cc1ncc(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1C(=O)[O-] ZINC001600742296 1286535434 /nfs/dbraw/zinc/53/54/34/1286535434.db2.gz PDVAOTDZKRFYBU-SNVBAGLBSA-N -2 3 358.358 0.984 20 0 FCADHL Cn1cc(Br)c(C[N-]S(=O)(=O)c2occc2C(=O)[O-])n1 ZINC001600927090 1286571300 /nfs/dbraw/zinc/57/13/00/1286571300.db2.gz QHTJGLOSKMIJMP-UHFFFAOYSA-N -2 3 364.177 0.952 20 0 FCADHL Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])C2)cn1 ZINC001600958883 1286580313 /nfs/dbraw/zinc/58/03/13/1286580313.db2.gz PCZCVAAJAOUNOY-QMMMGPOBSA-N -2 3 357.417 0.132 20 0 FCADHL Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])C2)cn1 ZINC001600959215 1286580517 /nfs/dbraw/zinc/58/05/17/1286580517.db2.gz UIENVMJKAPHJAC-VIFPVBQESA-N -2 3 371.444 0.522 20 0 FCADHL Cn1nnnc1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001601045482 1286621780 /nfs/dbraw/zinc/62/17/80/1286621780.db2.gz AETGEJKNLMXPTE-UHFFFAOYSA-N -2 3 363.758 0.222 20 0 FCADHL NC(=O)c1csc(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n1 ZINC001601172648 1286673476 /nfs/dbraw/zinc/67/34/76/1286673476.db2.gz VTKIYHHPRWRENA-UHFFFAOYSA-N -2 3 373.387 0.487 20 0 FCADHL O=C(CN1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)NC(C1CC1)C1CC1 ZINC001601306936 1286718936 /nfs/dbraw/zinc/71/89/36/1286718936.db2.gz UWXHMPALADMVHR-YNAXMUEKSA-N -2 3 350.415 0.789 20 0 FCADHL COCCCn1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)n1 ZINC001609323877 1289095886 /nfs/dbraw/zinc/09/58/86/1289095886.db2.gz BXPHZWJDFAQKSD-UHFFFAOYSA-N -2 3 364.391 0.296 20 0 FCADHL COCCCn1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)n1 ZINC001609323877 1289095893 /nfs/dbraw/zinc/09/58/93/1289095893.db2.gz BXPHZWJDFAQKSD-UHFFFAOYSA-N -2 3 364.391 0.296 20 0 FCADHL O=C([O-])c1cccn(CC(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1=O ZINC001601387462 1286738737 /nfs/dbraw/zinc/73/87/37/1286738737.db2.gz ICOQOJKGTHRRBO-UHFFFAOYSA-N -2 3 354.326 0.289 20 0 FCADHL O=C([O-])c1cccn(CC(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1=O ZINC001601387462 1286738743 /nfs/dbraw/zinc/73/87/43/1286738743.db2.gz ICOQOJKGTHRRBO-UHFFFAOYSA-N -2 3 354.326 0.289 20 0 FCADHL O=C([O-])[C@H](CCC1OCCO1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001601645321 1286799157 /nfs/dbraw/zinc/79/91/57/1286799157.db2.gz PVJFPXVCHMUUQE-JTQLQIEISA-N -2 3 369.317 0.989 20 0 FCADHL O=C([O-])[C@H]1CC12CCN(C(=O)N[C@@H]1CCN(c3cc(=O)[n-]cn3)C1)CC2 ZINC001601771154 1286831957 /nfs/dbraw/zinc/83/19/57/1286831957.db2.gz FQBMTCRCGLGKDH-VXGBXAGGSA-N -2 3 361.402 0.657 20 0 FCADHL O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001601854537 1286855015 /nfs/dbraw/zinc/85/50/15/1286855015.db2.gz NOJQYFGHNWZWEP-CYBMUJFWSA-N -2 3 363.395 0.533 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)SC ZINC001609338960 1289108006 /nfs/dbraw/zinc/10/80/06/1289108006.db2.gz YSDXVTGZHRWCCN-MRVPVSSYSA-N -2 3 371.444 0.822 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)SC ZINC001609338960 1289108013 /nfs/dbraw/zinc/10/80/13/1289108013.db2.gz YSDXVTGZHRWCCN-MRVPVSSYSA-N -2 3 371.444 0.822 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@H](F)C(C)C ZINC001609338564 1289108663 /nfs/dbraw/zinc/10/86/63/1289108663.db2.gz IMGGMPYXDZMERN-LLVKDONJSA-N -2 3 357.367 0.674 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@H](F)C(C)C ZINC001609338564 1289108665 /nfs/dbraw/zinc/10/86/65/1289108665.db2.gz IMGGMPYXDZMERN-LLVKDONJSA-N -2 3 357.367 0.674 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)C(C)(C)OC ZINC001609338704 1289109060 /nfs/dbraw/zinc/10/90/60/1289109060.db2.gz NOSVJTMFAZQPJK-UHFFFAOYSA-N -2 3 355.376 0.105 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)C(C)(C)OC ZINC001609338704 1289109063 /nfs/dbraw/zinc/10/90/63/1289109063.db2.gz NOSVJTMFAZQPJK-UHFFFAOYSA-N -2 3 355.376 0.105 20 0 FCADHL O=C([O-])CCNC(=O)CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001602020147 1286904304 /nfs/dbraw/zinc/90/43/04/1286904304.db2.gz ZUPHVCIOZOONPN-UHFFFAOYSA-N -2 3 352.771 0.738 20 0 FCADHL O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)O1 ZINC001602037769 1286909931 /nfs/dbraw/zinc/90/99/31/1286909931.db2.gz RITBFKCOIGVZLR-SDDRHHMPSA-N -2 3 350.375 0.290 20 0 FCADHL O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001602195197 1286963070 /nfs/dbraw/zinc/96/30/70/1286963070.db2.gz XTURHWYRRRSUOC-IVZWLZJFSA-N -2 3 351.325 0.807 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ncc(-c3nnn[n-]3)cc2C)cc1 ZINC001609358621 1289116963 /nfs/dbraw/zinc/11/69/63/1289116963.db2.gz NSXIFMLNORASTF-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ncc(-c3nn[n-]n3)cc2C)cc1 ZINC001609358621 1289116968 /nfs/dbraw/zinc/11/69/68/1289116968.db2.gz NSXIFMLNORASTF-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2C)cn1 ZINC001609358499 1289117480 /nfs/dbraw/zinc/11/74/80/1289117480.db2.gz DJGUDRBBEUADNB-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2C)cn1 ZINC001609358499 1289117481 /nfs/dbraw/zinc/11/74/81/1289117481.db2.gz DJGUDRBBEUADNB-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2(CO)CCOCC2)o1 ZINC001602396806 1286996351 /nfs/dbraw/zinc/99/63/51/1286996351.db2.gz ZJOJWNRYWFKIQE-CYBMUJFWSA-N -2 3 359.400 0.824 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCn1cc(Br)cn1 ZINC001602488202 1287010023 /nfs/dbraw/zinc/01/00/23/1287010023.db2.gz KZUUXNSPPZIGRZ-UHFFFAOYSA-N -2 3 364.177 0.915 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1nccc(C(F)(F)F)n1 ZINC001602506543 1287017082 /nfs/dbraw/zinc/01/70/82/1287017082.db2.gz CAJBYBXRGJNHNQ-UHFFFAOYSA-N -2 3 351.266 0.395 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCOCC2)CO1 ZINC001602506785 1287018304 /nfs/dbraw/zinc/01/83/04/1287018304.db2.gz QZKFBWIXUKCFEH-JTQLQIEISA-N -2 3 359.404 0.362 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCCN(C2CCCCC2)C1=O ZINC001602507115 1287018370 /nfs/dbraw/zinc/01/83/70/1287018370.db2.gz YNQQHTIVYDRSQS-GFCCVEGCSA-N -2 3 370.431 0.710 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCN(C2CCCCC2)C1=O ZINC001602507117 1287019459 /nfs/dbraw/zinc/01/94/59/1287019459.db2.gz YNQQHTIVYDRSQS-LBPRGKRZSA-N -2 3 370.431 0.710 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H](Cc2cccnc2)C(=O)[O-])c1 ZINC001602557139 1287025247 /nfs/dbraw/zinc/02/52/47/1287025247.db2.gz QWIABCFVQCXLRI-SNVBAGLBSA-N -3 3 354.340 0.595 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc3c(c2)C(=O)NCC3)c1 ZINC001602559618 1287025452 /nfs/dbraw/zinc/02/54/52/1287025452.db2.gz YUNLKEHRPSJBAN-UHFFFAOYSA-N -2 3 350.352 0.742 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1=O ZINC001602583071 1287030446 /nfs/dbraw/zinc/03/04/46/1287030446.db2.gz MNWRINXBVWPPRJ-YFKPBYRVSA-N -2 3 373.334 0.283 20 0 FCADHL O=C([O-])C1(CS(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC001602632083 1287041521 /nfs/dbraw/zinc/04/15/21/1287041521.db2.gz SDMNPWWBGWZJBY-ZDUSSCGKSA-N -2 3 352.412 0.966 20 0 FCADHL O=C([O-])c1cc(NC(=O)NN2CC(=O)[N-]C2=O)ccc1Br ZINC001602650670 1287050673 /nfs/dbraw/zinc/05/06/73/1287050673.db2.gz XUNQNLWUBQURCS-UHFFFAOYSA-N -2 3 357.120 0.736 20 0 FCADHL CC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001602913974 1287155278 /nfs/dbraw/zinc/15/52/78/1287155278.db2.gz KJYXSIWQJFCZGW-UHFFFAOYSA-N -2 3 351.388 0.739 20 0 FCADHL CC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001602913974 1287155284 /nfs/dbraw/zinc/15/52/84/1287155284.db2.gz KJYXSIWQJFCZGW-UHFFFAOYSA-N -2 3 351.388 0.739 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001603031193 1287192427 /nfs/dbraw/zinc/19/24/27/1287192427.db2.gz BNXUNCOYNWQSSO-SECBINFHSA-N -2 3 351.388 0.349 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001603031193 1287192431 /nfs/dbraw/zinc/19/24/31/1287192431.db2.gz BNXUNCOYNWQSSO-SECBINFHSA-N -2 3 351.388 0.349 20 0 FCADHL CC(C)(C)CC[C@@H](NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603071984 1287203374 /nfs/dbraw/zinc/20/33/74/1287203374.db2.gz UXKRTUFCKJFCFC-LLVKDONJSA-N -2 3 368.419 0.820 20 0 FCADHL CC(C)(C)CC[C@@H](NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603071984 1287203378 /nfs/dbraw/zinc/20/33/78/1287203378.db2.gz UXKRTUFCKJFCFC-LLVKDONJSA-N -2 3 368.419 0.820 20 0 FCADHL CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001605029158 1287839743 /nfs/dbraw/zinc/83/97/43/1287839743.db2.gz IWHYSSUNURSGNK-BDAKNGLRSA-N -2 3 359.358 0.991 20 0 FCADHL CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001605029161 1287839881 /nfs/dbraw/zinc/83/98/81/1287839881.db2.gz IWHYSSUNURSGNK-RKDXNWHRSA-N -2 3 359.358 0.991 20 0 FCADHL Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001609398146 1289137335 /nfs/dbraw/zinc/13/73/35/1289137335.db2.gz MTQNHDYZVZRARI-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001609398146 1289137336 /nfs/dbraw/zinc/13/73/36/1289137336.db2.gz MTQNHDYZVZRARI-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC001605224782 1287912610 /nfs/dbraw/zinc/91/26/10/1287912610.db2.gz VMEVKRXVSXOQMC-UHFFFAOYSA-N -2 3 357.302 0.677 20 0 FCADHL COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)[N-]O[C@H]1CCCCO1 ZINC001605246731 1287914148 /nfs/dbraw/zinc/91/41/48/1287914148.db2.gz OLSUNCPOXJWSEW-LBPRGKRZSA-N -2 3 362.346 0.388 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]O[C@H]1CCCCO1 ZINC001605246731 1287914159 /nfs/dbraw/zinc/91/41/59/1287914159.db2.gz OLSUNCPOXJWSEW-LBPRGKRZSA-N -2 3 362.346 0.388 20 0 FCADHL C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC001605431501 1287959589 /nfs/dbraw/zinc/95/95/89/1287959589.db2.gz VVTGSOSWSVWRQM-KXEKKFMESA-N -2 3 367.362 0.490 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001605443864 1287964460 /nfs/dbraw/zinc/96/44/60/1287964460.db2.gz LPAYQVNKEPPDCZ-MGCOHNPYSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001605443864 1287964462 /nfs/dbraw/zinc/96/44/62/1287964462.db2.gz LPAYQVNKEPPDCZ-MGCOHNPYSA-N -2 3 350.404 0.893 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccnc2ncnn21 ZINC001605546810 1287995231 /nfs/dbraw/zinc/99/52/31/1287995231.db2.gz RGVRHNLEJYLBIP-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccnc2ncnn21 ZINC001605546810 1287995235 /nfs/dbraw/zinc/99/52/35/1287995235.db2.gz RGVRHNLEJYLBIP-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001605552723 1287999338 /nfs/dbraw/zinc/99/93/38/1287999338.db2.gz SMWVIMDXJNFZBB-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001605552723 1287999341 /nfs/dbraw/zinc/99/93/41/1287999341.db2.gz SMWVIMDXJNFZBB-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1c[n-]n2c1nccc2=O ZINC001605677375 1288049837 /nfs/dbraw/zinc/04/98/37/1288049837.db2.gz CUTBAWPJCRJHTR-UHFFFAOYSA-N -2 3 354.305 0.903 20 0 FCADHL Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1c[n-]n2c1nccc2=O ZINC001605677375 1288049843 /nfs/dbraw/zinc/04/98/43/1288049843.db2.gz CUTBAWPJCRJHTR-UHFFFAOYSA-N -2 3 354.305 0.903 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC(C)(C)[C@H]1C(=O)[O-] ZINC001605679133 1288050339 /nfs/dbraw/zinc/05/03/39/1288050339.db2.gz RIYYXKOXONYGLB-LLVKDONJSA-N -2 3 369.378 0.798 20 0 FCADHL Cc1cnc(C(=O)N2CC[C@@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)c([O-])c1 ZINC001609439997 1289152846 /nfs/dbraw/zinc/15/28/46/1289152846.db2.gz RIKCCPVGNWCZHY-GFCCVEGCSA-N -2 3 367.369 0.964 20 0 FCADHL CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001605735314 1288067542 /nfs/dbraw/zinc/06/75/42/1288067542.db2.gz FGDIDXFBFKSFLK-BNMUBRSASA-N -2 3 363.461 0.774 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001605801270 1288087459 /nfs/dbraw/zinc/08/74/59/1288087459.db2.gz AFXUQYRIMLZPNZ-GFCCVEGCSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001605801270 1288087468 /nfs/dbraw/zinc/08/74/68/1288087468.db2.gz AFXUQYRIMLZPNZ-GFCCVEGCSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001605801718 1288089961 /nfs/dbraw/zinc/08/99/61/1288089961.db2.gz IPWHXLYMQWLGQF-AWEZNQCLSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001605801718 1288089969 /nfs/dbraw/zinc/08/99/69/1288089969.db2.gz IPWHXLYMQWLGQF-AWEZNQCLSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001605801930 1288090308 /nfs/dbraw/zinc/09/03/08/1288090308.db2.gz MQUYPNGECPUGEN-ONGXEEELSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001605801930 1288090316 /nfs/dbraw/zinc/09/03/16/1288090316.db2.gz MQUYPNGECPUGEN-ONGXEEELSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)sc1C ZINC001606078305 1288156564 /nfs/dbraw/zinc/15/65/64/1288156564.db2.gz CQIFWINSXFVNHS-UHFFFAOYSA-N -2 3 367.416 0.397 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)sc1C ZINC001606078305 1288156569 /nfs/dbraw/zinc/15/65/69/1288156569.db2.gz CQIFWINSXFVNHS-UHFFFAOYSA-N -2 3 367.416 0.397 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)cc1-c1nnn[n-]1 ZINC001609456136 1289160864 /nfs/dbraw/zinc/16/08/64/1289160864.db2.gz BSIAORZJTWGSCA-UHFFFAOYSA-N -2 3 360.403 0.982 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)cc1-c1nn[n-]n1 ZINC001609456136 1289160867 /nfs/dbraw/zinc/16/08/67/1289160867.db2.gz BSIAORZJTWGSCA-UHFFFAOYSA-N -2 3 360.403 0.982 20 0 FCADHL Cc1oc(CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1C(=O)[O-] ZINC001609468729 1289167626 /nfs/dbraw/zinc/16/76/26/1289167626.db2.gz GBXZCNHCGPPWSF-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1oc(CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1C(=O)[O-] ZINC001609468729 1289167630 /nfs/dbraw/zinc/16/76/30/1289167630.db2.gz GBXZCNHCGPPWSF-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL COC(=O)[C@H]1CN(C(=O)c2cc(OC)c([O-])c(OC)c2)C[C@H]1C(=O)[O-] ZINC001606420009 1288302535 /nfs/dbraw/zinc/30/25/35/1288302535.db2.gz GXMCZYBGOFNDEC-ZJUUUORDSA-N -2 3 353.327 0.355 20 0 FCADHL COC(=O)[C@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])C[C@H]1C(=O)[O-] ZINC001606420587 1288303464 /nfs/dbraw/zinc/30/34/64/1288303464.db2.gz JCURCKFCUCLOJW-NEPJUHHUSA-N -2 3 350.327 0.296 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001609478034 1289171209 /nfs/dbraw/zinc/17/12/09/1289171209.db2.gz ORCCGVKOOUHXEX-UHFFFAOYSA-N -2 3 352.318 0.139 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001609478034 1289171211 /nfs/dbraw/zinc/17/12/11/1289171211.db2.gz ORCCGVKOOUHXEX-UHFFFAOYSA-N -2 3 352.318 0.139 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)cc1C(=O)[O-] ZINC001609479735 1289173329 /nfs/dbraw/zinc/17/33/29/1289173329.db2.gz KSNKUYRJVZXIFI-UHFFFAOYSA-N -3 3 366.334 0.843 20 0 FCADHL COC(=O)[C@@]1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC[C@@H](C)CC1 ZINC001606521683 1288360429 /nfs/dbraw/zinc/36/04/29/1288360429.db2.gz SVCJTILGCGVZQX-PWRNUNNXSA-N -2 3 359.404 0.817 20 0 FCADHL COC(=O)c1csc(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1 ZINC001606633415 1288416851 /nfs/dbraw/zinc/41/68/51/1288416851.db2.gz GOAWUAGVPLCDMI-XPUUQOCRSA-N -2 3 355.340 0.779 20 0 FCADHL COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)OC ZINC001606815962 1288530662 /nfs/dbraw/zinc/53/06/62/1288530662.db2.gz GISZCKICIKWKRB-VIFPVBQESA-N -2 3 369.754 0.644 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001606909219 1288559223 /nfs/dbraw/zinc/55/92/23/1288559223.db2.gz VTZVMJPWLWHGFC-SSDOTTSWSA-N -2 3 364.749 0.392 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001606909219 1288559225 /nfs/dbraw/zinc/55/92/25/1288559225.db2.gz VTZVMJPWLWHGFC-SSDOTTSWSA-N -2 3 364.749 0.392 20 0 FCADHL COCCOc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)nn1 ZINC001606913623 1288561391 /nfs/dbraw/zinc/56/13/91/1288561391.db2.gz WYRJWONYSSNZIL-UHFFFAOYSA-N -2 3 357.344 0.272 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001606915184 1288561745 /nfs/dbraw/zinc/56/17/45/1288561745.db2.gz DLFXCTIMMSKMBJ-UHFFFAOYSA-N -2 3 350.302 0.195 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001606915184 1288561746 /nfs/dbraw/zinc/56/17/46/1288561746.db2.gz DLFXCTIMMSKMBJ-UHFFFAOYSA-N -2 3 350.302 0.195 20 0 FCADHL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001606957658 1288574479 /nfs/dbraw/zinc/57/44/79/1288574479.db2.gz HGDYFJHPIXPLLM-JTQLQIEISA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001606957658 1288574481 /nfs/dbraw/zinc/57/44/81/1288574481.db2.gz HGDYFJHPIXPLLM-JTQLQIEISA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606958718 1288574542 /nfs/dbraw/zinc/57/45/42/1288574542.db2.gz FKPMVLUTYYOASW-DRZSPHRISA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606958718 1288574543 /nfs/dbraw/zinc/57/45/43/1288574543.db2.gz FKPMVLUTYYOASW-DRZSPHRISA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606960843 1288576804 /nfs/dbraw/zinc/57/68/04/1288576804.db2.gz NKFGMWCJEPRNCX-QMMMGPOBSA-N -2 3 355.351 0.491 20 0 FCADHL O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001606961789 1288577576 /nfs/dbraw/zinc/57/75/76/1288577576.db2.gz YMZIRJRLIBKEFQ-QMMMGPOBSA-N -2 3 355.351 0.491 20 0 FCADHL O=C([N-]C[C@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001607031132 1288601691 /nfs/dbraw/zinc/60/16/91/1288601691.db2.gz UHAMFHZYBFLIBW-MRVPVSSYSA-N -2 3 372.307 0.990 20 0 FCADHL O=S(=O)([N-][C@H]1CCC[C@@H](CO)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001607059791 1288629863 /nfs/dbraw/zinc/62/98/63/1288629863.db2.gz MMFGXIIBRKHKQS-SCZZXKLOSA-N -2 3 373.385 0.974 20 0 FCADHL O=S(=O)([N-]c1ncccc1-c1nnn[n-]1)c1cnn(CC(F)(F)F)c1 ZINC001607069631 1288641133 /nfs/dbraw/zinc/64/11/33/1288641133.db2.gz KGSFUIHBWLAWBI-UHFFFAOYSA-N -2 3 374.308 0.821 20 0 FCADHL O=S(=O)([N-]c1ncccc1-c1nn[n-]n1)c1cnn(CC(F)(F)F)c1 ZINC001607069631 1288641136 /nfs/dbraw/zinc/64/11/36/1288641136.db2.gz KGSFUIHBWLAWBI-UHFFFAOYSA-N -2 3 374.308 0.821 20 0 FCADHL O=c1cc(CN2CCO[C@@H](C(F)F)CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607110728 1288668219 /nfs/dbraw/zinc/66/82/19/1288668219.db2.gz HIWXLXFSUVZRCE-SNVBAGLBSA-N -2 3 366.332 0.471 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@H]2C)c1C(=O)[O-] ZINC001607939324 1288749549 /nfs/dbraw/zinc/74/95/49/1288749549.db2.gz BNTJDUDDILTERN-PSASIEDQSA-N -2 3 358.420 0.484 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C2CC2)C2(CO)CCOCC2)c1C(=O)[O-] ZINC001607940333 1288749734 /nfs/dbraw/zinc/74/97/34/1288749734.db2.gz OPIKVNLBXDGVHD-GFCCVEGCSA-N -2 3 373.431 0.262 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)c2nnc3ccccn32)c1C(=O)[O-] ZINC001607940221 1288750196 /nfs/dbraw/zinc/75/01/96/1288750196.db2.gz NEFJRHWWNVLDNR-QMMMGPOBSA-N -2 3 350.360 0.499 20 0 FCADHL Cc1nc(C)c(CC(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C)c(=O)[n-]1 ZINC001607948023 1288751284 /nfs/dbraw/zinc/75/12/84/1288751284.db2.gz VHKPFUGWWGPKAP-UHFFFAOYSA-N -2 3 367.402 0.987 20 0 FCADHL Cn1cc([C@H]2C[C@H]([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])CCO2)cn1 ZINC001608106861 1288768477 /nfs/dbraw/zinc/76/84/77/1288768477.db2.gz IIBLXMLIRSCLRX-MWLCHTKSSA-N -2 3 355.376 0.040 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)nc1Cl ZINC001608121837 1288774746 /nfs/dbraw/zinc/77/47/46/1288774746.db2.gz GGKLIAYJRAGDKB-XQVHRTOBSA-N -2 3 363.823 0.764 20 0 FCADHL Cn1nccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])CCO1 ZINC001608162145 1288784885 /nfs/dbraw/zinc/78/48/85/1288784885.db2.gz GCVPRVNPTNCUPM-BXKDBHETSA-N -2 3 355.372 0.910 20 0 FCADHL NC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001608237356 1288798547 /nfs/dbraw/zinc/79/85/47/1288798547.db2.gz WSTLEBAUYMJXRU-ZETCQYMHSA-N -2 3 363.342 0.342 20 0 FCADHL O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC001609029436 1288883887 /nfs/dbraw/zinc/88/38/87/1288883887.db2.gz FIHBXQKNECLDJP-TXEJJXNPSA-N -2 3 368.411 0.343 20 0 FCADHL O=C([O-])C(F)=C(NCc1ccc(F)cc1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001609044023 1288887057 /nfs/dbraw/zinc/88/70/57/1288887057.db2.gz JAQCPVVYZNLBPA-VIFPVBQESA-N -3 3 355.322 0.123 20 0 FCADHL C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001609067748 1288897912 /nfs/dbraw/zinc/89/79/12/1288897912.db2.gz DTYQJAYTYNNLKI-MRVPVSSYSA-N -2 3 370.439 0.037 20 0 FCADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609086543 1288910981 /nfs/dbraw/zinc/91/09/81/1288910981.db2.gz LHOICSRHYSSJBM-SKDRFNHKSA-N -2 3 353.404 0.890 20 0 FCADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609086543 1288910985 /nfs/dbraw/zinc/91/09/85/1288910985.db2.gz LHOICSRHYSSJBM-SKDRFNHKSA-N -2 3 353.404 0.890 20 0 FCADHL CC(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001609095405 1288916265 /nfs/dbraw/zinc/91/62/65/1288916265.db2.gz PSNAQDRYTHAKAC-UHFFFAOYSA-N -2 3 357.367 0.737 20 0 FCADHL C[C@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001609112113 1288926515 /nfs/dbraw/zinc/92/65/15/1288926515.db2.gz SKMDOTMJCOIBDT-SSDOTTSWSA-N -2 3 359.795 0.861 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609142911 1288944809 /nfs/dbraw/zinc/94/48/09/1288944809.db2.gz RQYKNRICAQMQFZ-AWEZNQCLSA-N -2 3 351.388 0.636 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609142911 1288944814 /nfs/dbraw/zinc/94/48/14/1288944814.db2.gz RQYKNRICAQMQFZ-AWEZNQCLSA-N -2 3 351.388 0.636 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC001609154320 1288953582 /nfs/dbraw/zinc/95/35/82/1288953582.db2.gz CNSHOOPBRMQKCO-MNOVXSKESA-N -2 3 374.405 0.426 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC001609154320 1288953588 /nfs/dbraw/zinc/95/35/88/1288953588.db2.gz CNSHOOPBRMQKCO-MNOVXSKESA-N -2 3 374.405 0.426 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001609168485 1288960954 /nfs/dbraw/zinc/96/09/54/1288960954.db2.gz CYCXOHKEARGZGL-SKDRFNHKSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001609168485 1288960957 /nfs/dbraw/zinc/96/09/57/1288960957.db2.gz CYCXOHKEARGZGL-SKDRFNHKSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001609168473 1288961255 /nfs/dbraw/zinc/96/12/55/1288961255.db2.gz CIGOQYYBCFQQHG-ONGXEEELSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001609168473 1288961261 /nfs/dbraw/zinc/96/12/61/1288961261.db2.gz CIGOQYYBCFQQHG-ONGXEEELSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C(=O)[O-] ZINC001609166374 1288961448 /nfs/dbraw/zinc/96/14/48/1288961448.db2.gz ACFQQZRTUONXPE-MFKMUULPSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C(=O)[O-] ZINC001609166374 1288961450 /nfs/dbraw/zinc/96/14/50/1288961450.db2.gz ACFQQZRTUONXPE-MFKMUULPSA-N -2 3 372.385 0.052 20 0 FCADHL CC[C@H](C)CO[N-]C(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609184459 1288975225 /nfs/dbraw/zinc/97/52/25/1288975225.db2.gz BFBRVWZYWHSKQH-JTQLQIEISA-N -2 3 368.419 0.239 20 0 FCADHL CC[C@H](C)CO[N-]C(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609184459 1288975229 /nfs/dbraw/zinc/97/52/29/1288975229.db2.gz BFBRVWZYWHSKQH-JTQLQIEISA-N -2 3 368.419 0.239 20 0 FCADHL CCN(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609221043 1288993521 /nfs/dbraw/zinc/99/35/21/1288993521.db2.gz CKFQRQOUXSXELW-UHFFFAOYSA-N -2 3 350.404 0.211 20 0 FCADHL CCN(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609221043 1288993528 /nfs/dbraw/zinc/99/35/28/1288993528.db2.gz CKFQRQOUXSXELW-UHFFFAOYSA-N -2 3 350.404 0.211 20 0 FCADHL NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001609505246 1289186708 /nfs/dbraw/zinc/18/67/08/1289186708.db2.gz UTTYKQWKMRZBSZ-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL O=C(CCc1ccncn1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609525443 1289194134 /nfs/dbraw/zinc/19/41/34/1289194134.db2.gz OHNDQIRGQOGPNX-UHFFFAOYSA-N -2 3 373.398 0.236 20 0 FCADHL O=C(CCc1ccncn1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609525443 1289194138 /nfs/dbraw/zinc/19/41/38/1289194138.db2.gz OHNDQIRGQOGPNX-UHFFFAOYSA-N -2 3 373.398 0.236 20 0 FCADHL O=C(COC(F)F)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609530095 1289198855 /nfs/dbraw/zinc/19/88/55/1289198855.db2.gz STHCGTMDTMTFJX-UHFFFAOYSA-N -2 3 367.721 0.564 20 0 FCADHL O=C(COC(F)F)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609530095 1289198857 /nfs/dbraw/zinc/19/88/57/1289198857.db2.gz STHCGTMDTMTFJX-UHFFFAOYSA-N -2 3 367.721 0.564 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@H]1COc2ccccc21 ZINC001609560378 1289224670 /nfs/dbraw/zinc/22/46/70/1289224670.db2.gz LFBMECRWKPJEGE-LBPRGKRZSA-N -2 3 371.378 0.848 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@H]1COc2ccccc21 ZINC001609560378 1289224677 /nfs/dbraw/zinc/22/46/77/1289224677.db2.gz LFBMECRWKPJEGE-LBPRGKRZSA-N -2 3 371.378 0.848 20 0 FCADHL O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001609571459 1289232031 /nfs/dbraw/zinc/23/20/31/1289232031.db2.gz IJRPZHKDRMLNQZ-IUCAKERBSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001609571459 1289232039 /nfs/dbraw/zinc/23/20/39/1289232039.db2.gz IJRPZHKDRMLNQZ-IUCAKERBSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC001609572099 1289233844 /nfs/dbraw/zinc/23/38/44/1289233844.db2.gz YXNPKRQPGJDBJH-QWRGUYRKSA-N -2 3 351.750 0.769 20 0 FCADHL O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC001609572099 1289233853 /nfs/dbraw/zinc/23/38/53/1289233853.db2.gz YXNPKRQPGJDBJH-QWRGUYRKSA-N -2 3 351.750 0.769 20 0 FCADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001609734963 1289287762 /nfs/dbraw/zinc/28/77/62/1289287762.db2.gz GPTWWZHCXKJDQF-BYPYZUCNSA-N -3 3 356.150 0.882 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)o1 ZINC001610148029 1289398879 /nfs/dbraw/zinc/39/88/79/1289398879.db2.gz BUNSNNHGVXLSCJ-JTQLQIEISA-N -2 3 373.431 0.117 20 0 FCADHL COC(=O)CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCOCC1 ZINC001610178188 1289411181 /nfs/dbraw/zinc/41/11/81/1289411181.db2.gz LDFQVDGECNNCBL-UHFFFAOYSA-N -2 3 361.372 0.616 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001610194382 1289421377 /nfs/dbraw/zinc/42/13/77/1289421377.db2.gz QNMOTWUPAKYVFN-XPTSAGLGSA-N -2 3 359.404 0.817 20 0 FCADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](CO)CC(F)F ZINC001610222104 1289431246 /nfs/dbraw/zinc/43/12/46/1289431246.db2.gz JZERMGKNWQFCAS-YFKPBYRVSA-N -2 3 373.355 0.527 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)C(=O)Nc2ccccc2)c1C(=O)[O-] ZINC001610549712 1289506858 /nfs/dbraw/zinc/50/68/58/1289506858.db2.gz JAUFVSUPQUNYCR-SECBINFHSA-N -2 3 352.372 0.722 20 0 FCADHL Cc1nc(C)c(CC(=O)O[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)c(=O)[n-]1 ZINC001610553667 1289508010 /nfs/dbraw/zinc/50/80/10/1289508010.db2.gz RIAQLNBJDHCRBP-SNVBAGLBSA-N -2 3 365.386 0.596 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]CCN(C)CC(=O)[O-])sc1Br ZINC001610560712 1289510742 /nfs/dbraw/zinc/51/07/42/1289510742.db2.gz MUOXPZURZHSPCR-UHFFFAOYSA-N -2 3 372.266 0.509 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001610742867 1289574891 /nfs/dbraw/zinc/57/48/91/1289574891.db2.gz GDWUESJSKTWKRS-RQJHMYQMSA-N -2 3 356.326 0.886 20 0 FCADHL O=C([O-])Cc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)n1 ZINC001610795843 1289595913 /nfs/dbraw/zinc/59/59/13/1289595913.db2.gz ZCUVCORHOJFOBL-UHFFFAOYSA-N -2 3 358.354 0.966 20 0 FCADHL C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000747508968 836247015 /nfs/dbraw/zinc/24/70/15/836247015.db2.gz IELJXCVVLFBIEQ-VXNVDRBHSA-N -2 3 350.393 0.658 20 0 FCADHL O=c1nc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)[n-]o1 ZINC001117673184 847140184 /nfs/dbraw/zinc/14/01/84/847140184.db2.gz ODXSVSXNFOFWBH-UHFFFAOYSA-N -2 3 352.141 0.743 20 0 FCADHL N=C(NC(=O)c1ccc2c(=O)[n-][nH]c(=O)c2c1)SCCS(=O)(=O)[O-] ZINC001154318816 849791036 /nfs/dbraw/zinc/79/10/36/849791036.db2.gz PLZPETHNWLFAJH-UHFFFAOYSA-N -2 3 372.384 0.327 20 0 FCADHL N=C(NC(=O)c1ccc2c(=O)[nH][n-]c(=O)c2c1)SCCS(=O)(=O)[O-] ZINC001154318816 849791043 /nfs/dbraw/zinc/79/10/43/849791043.db2.gz PLZPETHNWLFAJH-UHFFFAOYSA-N -2 3 372.384 0.327 20 0 FCADHL C[C@H](Cn1cnc2c1ncnc2Nc1ccncc1)OCP(=O)([O-])[O-] ZINC001173882570 850737750 /nfs/dbraw/zinc/73/77/50/850737750.db2.gz ZLHSICKURRLJPT-SNVBAGLBSA-N -2 3 364.302 0.927 20 0 FCADHL CCOC(=O)c1sc(S(=O)(=O)[N-]CCP(=O)([O-])[O-])nc1C ZINC001184977443 851331718 /nfs/dbraw/zinc/33/17/18/851331718.db2.gz FIBQUXAZBDPYOK-UHFFFAOYSA-N -3 3 358.334 0.084 20 0 FCADHL NC(=O)c1ccc(F)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568149 851363177 /nfs/dbraw/zinc/36/31/77/851363177.db2.gz PNVMBIRCZUDVLP-UHFFFAOYSA-N -2 3 363.334 0.301 20 0 FCADHL NC(=O)c1ccc(F)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568149 851363182 /nfs/dbraw/zinc/36/31/82/851363182.db2.gz PNVMBIRCZUDVLP-UHFFFAOYSA-N -2 3 363.334 0.301 20 0 FCADHL COC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566963 851364335 /nfs/dbraw/zinc/36/43/35/851364335.db2.gz YBHBRQSZRGKQKV-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566963 851364346 /nfs/dbraw/zinc/36/43/46/851364346.db2.gz YBHBRQSZRGKQKV-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n2ncnc2n1 ZINC001185566730 851364553 /nfs/dbraw/zinc/36/45/53/851364553.db2.gz RYDLXHYEKCHCHG-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n2ncnc2n1 ZINC001185566730 851364561 /nfs/dbraw/zinc/36/45/61/851364561.db2.gz RYDLXHYEKCHCHG-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL NC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185597140 851369476 /nfs/dbraw/zinc/36/94/76/851369476.db2.gz IJJPLKBKXSWZLK-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL NC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185597140 851369483 /nfs/dbraw/zinc/36/94/83/851369483.db2.gz IJJPLKBKXSWZLK-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)NCCCCP(=O)([O-])[O-])ccc1F ZINC001186207888 851418936 /nfs/dbraw/zinc/41/89/36/851418936.db2.gz ACLTVTFUNNKZQQ-UHFFFAOYSA-N -3 3 355.280 0.760 20 0 FCADHL COC(=O)CCS(=O)(=O)[N-]c1cc(S(=O)(=O)[O-])ccc1Cl ZINC001188393458 851683367 /nfs/dbraw/zinc/68/33/67/851683367.db2.gz HWBFOHDCTQOKBZ-UHFFFAOYSA-N -2 3 357.793 0.892 20 0 FCADHL CCOc1ccc(S(=O)(=O)Nc2c[nH]c(=O)[n-]c2=O)cc1C(=O)[O-] ZINC001192608940 852263960 /nfs/dbraw/zinc/26/39/60/852263960.db2.gz MPICOUXYZXBJOA-UHFFFAOYSA-N -2 3 355.328 0.786 20 0 FCADHL CCOc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc1C(=O)[O-] ZINC001192660369 852270936 /nfs/dbraw/zinc/27/09/36/852270936.db2.gz QBXLWVKJAUHDLZ-UHFFFAOYSA-N -3 3 353.289 0.240 20 0 FCADHL C[C@@H]1COCCN1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195259741 852732370 /nfs/dbraw/zinc/73/23/70/852732370.db2.gz KEUOIKWDIZCFKS-SECBINFHSA-N -2 3 364.370 0.662 20 0 FCADHL CC(C)N1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1=O ZINC001195255309 852732781 /nfs/dbraw/zinc/73/27/81/852732781.db2.gz WJQHBZWQKJZTIP-QMMMGPOBSA-N -2 3 362.354 0.951 20 0 FCADHL CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1cc(=O)[n-]c(OC)n1 ZINC001195597297 852794807 /nfs/dbraw/zinc/79/48/07/852794807.db2.gz ASWAKSNMORXLSY-UHFFFAOYSA-N -2 3 354.344 0.563 20 0 FCADHL NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccnc2)cc1 ZINC001197464040 853119100 /nfs/dbraw/zinc/11/91/00/853119100.db2.gz HFXAULHZUFAMAY-UHFFFAOYSA-N -2 3 370.412 0.381 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])c1cnc(OCC2CCOCC2)nc1 ZINC001198941383 853343912 /nfs/dbraw/zinc/34/39/12/853343912.db2.gz KEMCCGGHUOIBCP-UHFFFAOYSA-N -2 3 373.346 0.970 20 0 FCADHL CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)NCCP(=O)([O-])[O-])C1 ZINC001201707218 853541000 /nfs/dbraw/zinc/54/10/00/853541000.db2.gz LOZOTEHHZYZWPO-VIFPVBQESA-N -2 3 358.353 0.093 20 0 FCADHL CN(C)CCC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001229303147 857264396 /nfs/dbraw/zinc/26/43/96/857264396.db2.gz QARJURBCISAGHS-CYBMUJFWSA-N -2 3 361.287 0.197 20 0 FCADHL Nc1cn[n-]c(=N[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1Cl ZINC001253478919 857890780 /nfs/dbraw/zinc/89/07/80/857890780.db2.gz ODTVEDHISZMEKN-ZETCQYMHSA-N -2 3 359.799 0.176 20 0 FCADHL CN1C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1=O ZINC001259223241 858249101 /nfs/dbraw/zinc/24/91/01/858249101.db2.gz UTBWDQJZCITYLX-SSDOTTSWSA-N -2 3 364.782 0.934 20 0 FCADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(N)=O ZINC001259222186 858249159 /nfs/dbraw/zinc/24/91/59/858249159.db2.gz LJNMXFOHFFOSJE-JTQLQIEISA-N -2 3 352.771 0.966 20 0 FCADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(N)=O ZINC001259222358 858249786 /nfs/dbraw/zinc/24/97/86/858249786.db2.gz PZYDSEKMCQKHCD-UHFFFAOYSA-N -2 3 352.771 0.967 20 0 FCADHL O=C([O-])c1ccc(F)c(S(=O)(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001260218867 858356543 /nfs/dbraw/zinc/35/65/43/858356543.db2.gz UYILVHNVJWSPMY-UHFFFAOYSA-N -3 3 355.280 0.760 20 0 FCADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CS(C)(=O)=O)c1[O-] ZINC001260591726 858394074 /nfs/dbraw/zinc/39/40/74/858394074.db2.gz JDBWWENQWFVSIB-UHFFFAOYSA-N -2 3 357.793 0.576 20 0 FCADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2nc(=O)o[n-]2)cc1Cl ZINC001324573054 869624496 /nfs/dbraw/zinc/62/44/96/869624496.db2.gz VHVYBNMSJNOOLW-UHFFFAOYSA-N -2 3 364.742 0.592 20 0 FCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000824737634 946919428 /nfs/dbraw/zinc/91/94/28/946919428.db2.gz JKCBBOPSOPEGBJ-VIFPVBQESA-N -2 3 357.330 0.554 20 0 FCADHL COc1cccc([C@@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])N(C)C)c1 ZINC000326862990 971337890 /nfs/dbraw/zinc/33/78/90/971337890.db2.gz VHTAOHCOKOONTC-CYBMUJFWSA-N -2 3 368.415 0.698 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC001574473219 949561929 /nfs/dbraw/zinc/56/19/29/949561929.db2.gz YRJIZMCQPZWCSS-UHFFFAOYSA-N -2 3 369.798 0.888 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001574473219 949561953 /nfs/dbraw/zinc/56/19/53/949561953.db2.gz YRJIZMCQPZWCSS-UHFFFAOYSA-N -2 3 369.798 0.888 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC001574473139 949562498 /nfs/dbraw/zinc/56/24/98/949562498.db2.gz YIBSVJPACUZRAI-UHFFFAOYSA-N -2 3 369.798 0.888 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC001574473139 949562515 /nfs/dbraw/zinc/56/25/15/949562515.db2.gz YIBSVJPACUZRAI-UHFFFAOYSA-N -2 3 369.798 0.888 20 0 FCADHL C[C@@H]1CCN(c2ncncc2-c2nnn[n-]2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001570977543 950500870 /nfs/dbraw/zinc/50/08/70/950500870.db2.gz OQKWISSMJIAKOT-APPZFPTMSA-N -2 3 356.312 0.550 20 0 FCADHL C[C@@H]1CCN(c2ncncc2-c2nn[n-]n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001570977543 950500885 /nfs/dbraw/zinc/50/08/85/950500885.db2.gz OQKWISSMJIAKOT-APPZFPTMSA-N -2 3 356.312 0.550 20 0 FCADHL CC(C)C[C@@H]1CN(C)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001574168098 950503647 /nfs/dbraw/zinc/50/36/47/950503647.db2.gz OUDWGHLVNKUVER-CYBMUJFWSA-N -2 3 371.449 0.777 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1 ZINC001591006097 951041572 /nfs/dbraw/zinc/04/15/72/951041572.db2.gz SQUPKWPOTSPFOW-UHFFFAOYSA-N -2 3 359.404 0.961 20 0 FCADHL O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CO1 ZINC001595000683 951119195 /nfs/dbraw/zinc/11/91/95/951119195.db2.gz FHRRQNMZKCEFSS-QJPTWQEYSA-N -2 3 350.375 0.147 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)n1 ZINC001571065554 951995212 /nfs/dbraw/zinc/99/52/12/951995212.db2.gz MXLQEQRXMRRVGS-XCBNKYQSSA-N -2 3 370.339 0.858 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)n1 ZINC001571065554 951995215 /nfs/dbraw/zinc/99/52/15/951995215.db2.gz MXLQEQRXMRRVGS-XCBNKYQSSA-N -2 3 370.339 0.858 20 0 FCADHL C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncccc1[O-] ZINC001575134542 952112921 /nfs/dbraw/zinc/11/29/21/952112921.db2.gz JCMOTOIEIXBPID-VIFPVBQESA-N -2 3 355.362 0.330 20 0 FCADHL C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncccc1[O-] ZINC001575134542 952112926 /nfs/dbraw/zinc/11/29/26/952112926.db2.gz JCMOTOIEIXBPID-VIFPVBQESA-N -2 3 355.362 0.330 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC001595169117 952217281 /nfs/dbraw/zinc/21/72/81/952217281.db2.gz BDDRZRITGQIMAO-NSHDSACASA-N -2 3 370.362 0.759 20 0 FCADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC001594798488 953718219 /nfs/dbraw/zinc/71/82/19/953718219.db2.gz GAGOCNJFXMSATK-LLVKDONJSA-N -2 3 358.358 0.514 20 0 FCADHL O=C([O-])[C@@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC001594833983 954012206 /nfs/dbraw/zinc/01/22/06/954012206.db2.gz RRTQBIUNBZJBBK-SNVBAGLBSA-N -2 3 366.848 0.907 20 0 FCADHL CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@](C)(C(=O)[O-])c1ccccc1 ZINC001593709457 954179081 /nfs/dbraw/zinc/17/90/81/954179081.db2.gz WISRASRCRQZUPR-XMHCIUCPSA-N -2 3 363.461 0.438 20 0 FCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccnn1C ZINC001593867256 955593320 /nfs/dbraw/zinc/59/33/20/955593320.db2.gz RGDZGVAKOJRUTK-GFCCVEGCSA-N -2 3 371.346 0.450 20 0 FCADHL C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000389859371 972252587 /nfs/dbraw/zinc/25/25/87/972252587.db2.gz FMKAZCXJSMJOII-RISCZKNCSA-N -2 3 364.427 0.907 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C2COCCOC2)c1F ZINC000390005499 972261187 /nfs/dbraw/zinc/26/11/87/972261187.db2.gz RHQBLHXITNVSAH-UHFFFAOYSA-N -2 3 353.755 0.871 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C[C@H]1C1CC1 ZINC001574777106 957768669 /nfs/dbraw/zinc/76/86/69/957768669.db2.gz AITJMLOJSDUAST-RWMBFGLXSA-N -2 3 361.402 0.513 20 0 FCADHL C[S@@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1)c1ccccc1F ZINC001594162323 958910575 /nfs/dbraw/zinc/91/05/75/958910575.db2.gz OHGSZVRNHMVNIR-SYLNSOGPSA-N -2 3 350.393 0.980 20 0 FCADHL C[S@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1)c1ccccc1F ZINC001594162324 958910689 /nfs/dbraw/zinc/91/06/89/958910689.db2.gz OHGSZVRNHMVNIR-VRNWYBPDSA-N -2 3 350.393 0.980 20 0 FCADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001594171134 959001738 /nfs/dbraw/zinc/00/17/38/959001738.db2.gz DYEILOIYIFJOET-UHFFFAOYSA-N -2 3 374.390 0.695 20 0 FCADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594171363 959002248 /nfs/dbraw/zinc/00/22/48/959002248.db2.gz MBZBMWJUWDOMNX-JTQLQIEISA-N -2 3 369.399 0.320 20 0 FCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001594226476 959430999 /nfs/dbraw/zinc/43/09/99/959430999.db2.gz OZCSMXLDDZDWQW-CLAHSXSESA-N -2 3 362.354 0.470 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc(C(=O)[O-])cn3)CC2)n1 ZINC001594269041 959780504 /nfs/dbraw/zinc/78/05/04/959780504.db2.gz GUOVTQJJDHQAAS-UHFFFAOYSA-N -2 3 357.370 0.983 20 0 FCADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001574247924 960494367 /nfs/dbraw/zinc/49/43/67/960494367.db2.gz IMMWXYMWXYQPTP-AWEZNQCLSA-N -2 3 360.363 0.447 20 0 FCADHL CC(C)S(=O)(=O)c1ccc(F)c(C(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC001588941287 962537858 /nfs/dbraw/zinc/53/78/58/962537858.db2.gz JJZXHTBEWNWVHX-UHFFFAOYSA-N -2 3 370.362 0.936 20 0 FCADHL COC[C@]1(C(=O)[O-])CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001574131883 962542934 /nfs/dbraw/zinc/54/29/34/962542934.db2.gz TVIDVVMPCNYNET-NSHDSACASA-N -2 3 351.285 0.456 20 0 FCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001573345535 962935775 /nfs/dbraw/zinc/93/57/75/962935775.db2.gz VEMUDAUIHJGCQC-GFCCVEGCSA-N -2 3 361.354 0.322 20 0 FCADHL O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000398331975 973119556 /nfs/dbraw/zinc/11/95/56/973119556.db2.gz NQELNMHXWUJPFT-SSDOTTSWSA-N -2 3 356.169 0.702 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)on1 ZINC000398446976 973144586 /nfs/dbraw/zinc/14/45/86/973144586.db2.gz LUMQKVFEACVVKN-JYAVWHMHSA-N -2 3 363.395 0.782 20 0 FCADHL Cc1nc(C)c(CC(=O)N2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c(=O)[n-]1 ZINC001605400674 973385918 /nfs/dbraw/zinc/38/59/18/973385918.db2.gz DYERGXRNEINKIP-CHWSQXEVSA-N -2 3 373.413 0.792 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])ccc1F ZINC001591667043 975420812 /nfs/dbraw/zinc/42/08/12/975420812.db2.gz YXWYVFJJGGUJGX-PWSUYJOCSA-N -2 3 374.390 0.172 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CF)C(=O)[O-])ccc1F ZINC001591669676 975429518 /nfs/dbraw/zinc/42/95/18/975429518.db2.gz WJNWLIXCSQRZIB-JTQLQIEISA-N -2 3 350.343 0.665 20 0 FCADHL C[C@H](CC(N)=O)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001592453998 978159816 /nfs/dbraw/zinc/15/98/16/978159816.db2.gz ZRYHXWLEABSYKW-SCSAIBSYSA-N -2 3 371.234 0.751 20 0 FCADHL CC[C@@H](C)[C@H](NC(=O)COC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC001594897119 982341078 /nfs/dbraw/zinc/34/10/78/982341078.db2.gz NCOYGSYKFGKAKL-CLAHSXSESA-N -2 3 353.375 0.500 20 0 FCADHL CCN1CCN(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)[C@@H](C)C1 ZINC001596431969 984104062 /nfs/dbraw/zinc/10/40/62/984104062.db2.gz ORBXGVWFYAOCBR-ZDUSSCGKSA-N -2 3 372.425 0.959 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599900501 984812736 /nfs/dbraw/zinc/81/27/36/984812736.db2.gz USVVRFUPHLGEBW-WDSKDSINSA-N -2 3 354.306 0.360 20 0 FCADHL CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)CCSCC(=O)[O-] ZINC001596754521 985115389 /nfs/dbraw/zinc/11/53/89/985115389.db2.gz PMEGDZRBFQAKRE-SECBINFHSA-N -2 3 356.404 0.853 20 0 FCADHL CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)CCSCC(=O)[O-] ZINC001596754521 985115394 /nfs/dbraw/zinc/11/53/94/985115394.db2.gz PMEGDZRBFQAKRE-SECBINFHSA-N -2 3 356.404 0.853 20 0 FCADHL CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)[C@H]2C1 ZINC001589055646 985158992 /nfs/dbraw/zinc/15/89/92/985158992.db2.gz CNXAUTNGUKPSQM-WCFLWFBJSA-N -2 3 356.400 0.903 20 0 FCADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)s1 ZINC001589150098 985469392 /nfs/dbraw/zinc/46/93/92/985469392.db2.gz 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ZINC001598673064 994792368 /nfs/dbraw/zinc/79/23/68/994792368.db2.gz FQVQPKRCEOLGHU-MRVPVSSYSA-N -2 3 354.306 0.572 20 0 FCADHL COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598696735 995151497 /nfs/dbraw/zinc/15/14/97/995151497.db2.gz KOQQOPSVWDPHRB-NWDGAFQWSA-N -2 3 363.432 0.519 20 0 FCADHL COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001598776031 995930659 /nfs/dbraw/zinc/93/06/59/995930659.db2.gz OINHMUNGWNYIFC-ZYHUDNBSSA-N -2 3 351.359 0.206 20 0 FCADHL COC(=O)[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])[C@@H]2C1 ZINC001598831304 996439495 /nfs/dbraw/zinc/43/94/95/996439495.db2.gz SLVAVUIHRMXNAF-XAVMHZPKSA-N -2 3 360.413 0.707 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccsc1 ZINC001598912312 997391809 /nfs/dbraw/zinc/39/18/09/997391809.db2.gz RYUMPGVPXUOXNE-SECBINFHSA-N -2 3 359.385 0.670 20 0 FCADHL CO[C@@H]1CCC[C@H]([C@@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C(=O)[O-])C1 ZINC001599107141 997500152 /nfs/dbraw/zinc/50/01/52/997500152.db2.gz QRGJZNDGLQKKLU-JGGQBBKZSA-N -2 3 364.398 0.897 20 0 FCADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001599328020 997698779 /nfs/dbraw/zinc/69/87/79/997698779.db2.gz CLQDXXNUSLVDQK-SECBINFHSA-N -2 3 365.273 0.528 20 0 FCADHL COc1cc(NC(=O)C[N-]S(=O)(=O)CC2(C(=O)[O-])CC2)cc(OC)c1 ZINC001599435172 997831455 /nfs/dbraw/zinc/83/14/55/997831455.db2.gz LFUTZKOLFJKTIM-UHFFFAOYSA-N -2 3 372.399 0.427 20 0 FCADHL COc1cc([N-]S(=O)(=O)N=S(C)(C)=O)c(C(=O)[O-])cc1OC ZINC001599444837 997991150 /nfs/dbraw/zinc/99/11/50/997991150.db2.gz FCSZRRSALBTYAS-UHFFFAOYSA-N -2 3 352.390 0.786 20 0 FCADHL COC(=O)c1cc(NC(=O)NCCCc2c[n-][nH]c2=O)cc(C(=O)[O-])c1 ZINC001598945746 998055518 /nfs/dbraw/zinc/05/55/18/998055518.db2.gz ZXMZWFQBQRGNPH-VIFPVBQESA-N -2 3 362.342 0.805 20 0 FCADHL COC(=O)c1cc(OC)ccc1S(=O)(=O)[N-]CC(F)(F)C(=O)[O-] ZINC001598949300 998118005 /nfs/dbraw/zinc/11/80/05/998118005.db2.gz AGEOEPWOMISNCG-UHFFFAOYSA-N -2 3 353.299 0.480 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])c(OC)cc1F ZINC001598953399 998197060 /nfs/dbraw/zinc/19/70/60/998197060.db2.gz CCXCLLKDMHWHIS-MRVPVSSYSA-N -2 3 353.299 0.322 20 0 FCADHL COC[C@@H](O)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001599275661 998605901 /nfs/dbraw/zinc/60/59/01/998605901.db2.gz BEZNOFJHFGRJAG-YFKPBYRVSA-N -2 3 374.234 0.494 20 0 FCADHL CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(=O)[O-] ZINC000290917813 214002696 /nfs/dbraw/zinc/00/26/96/214002696.db2.gz HDBYTNATTJFNDI-SNVBAGLBSA-N -2 3 365.791 0.895 20 0 FCADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)CCOC(C)C)ccc1F ZINC000285216829 213305539 /nfs/dbraw/zinc/30/55/39/213305539.db2.gz XFRHJVBBDVHCIQ-UHFFFAOYSA-N -2 3 354.425 0.901 20 0 FCADHL CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c(F)cc1C ZINC000284900291 213245373 /nfs/dbraw/zinc/24/53/73/213245373.db2.gz ASCSUAOHTIWNQI-PELKAZGASA-N -2 3 363.363 0.423 20 0 FCADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC(=O)[O-])c(F)c1 ZINC000263181509 209706665 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353.400 0.574 20 0 FCADHL C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391797503 601231415 /nfs/dbraw/zinc/23/14/15/601231415.db2.gz DJJZXQXRHVKTMM-MRVPVSSYSA-N -2 3 362.354 0.952 20 0 FCADHL CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000319816698 601234483 /nfs/dbraw/zinc/23/44/83/601234483.db2.gz DJILCQAUGGPOOC-UHFFFAOYSA-N -2 3 357.356 0.376 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)c1F ZINC000833294493 601236400 /nfs/dbraw/zinc/23/64/00/601236400.db2.gz DKCJPVJEZDCPLK-ZETCQYMHSA-N -2 3 358.326 0.548 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821685813 607496940 /nfs/dbraw/zinc/49/69/40/607496940.db2.gz QWKSVKWBSRJJJC-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821685813 607496942 /nfs/dbraw/zinc/49/69/42/607496942.db2.gz QWKSVKWBSRJJJC-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL CCOCCS(=O)(=O)[N-][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830017584 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CC[C@H](NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000828926404 602193213 /nfs/dbraw/zinc/19/32/13/602193213.db2.gz QHCGZCSZRLEQOO-IUCAKERBSA-N -2 3 363.823 0.771 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000825068732 607555391 /nfs/dbraw/zinc/55/53/91/607555391.db2.gz VYUKBALJVNSYEE-SNVBAGLBSA-N -2 3 363.374 0.966 20 0 FCADHL CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825060613 607637060 /nfs/dbraw/zinc/63/70/60/607637060.db2.gz RNMIRDNECVGLFY-RDDDGLTNSA-N -2 3 361.374 0.830 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c(C)o1 ZINC000831029523 604439545 /nfs/dbraw/zinc/43/95/45/604439545.db2.gz UGOLCOLDSJGIPP-NSHDSACASA-N -2 3 362.404 0.446 20 0 FCADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cnn([C@H]2CCOC2)c1 ZINC000826493018 607694422 /nfs/dbraw/zinc/69/44/22/607694422.db2.gz PAXDSRQHOPNDAO-ZETCQYMHSA-N -2 3 368.404 0.282 20 0 FCADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C(=O)N1c1cnn(C)c1 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3 351.388 0.488 20 0 FCADHL O=C(CCOCC1CC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822974352 606407058 /nfs/dbraw/zinc/40/70/58/606407058.db2.gz ILKZXSQALACCON-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CCOCC1CC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822974352 606407061 /nfs/dbraw/zinc/40/70/61/606407061.db2.gz ILKZXSQALACCON-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cn1 ZINC000821566403 606437146 /nfs/dbraw/zinc/43/71/46/606437146.db2.gz BVVDMLIPOHGIHL-UHFFFAOYSA-N -2 3 353.389 0.263 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cn1 ZINC000821566403 606437147 /nfs/dbraw/zinc/43/71/47/606437147.db2.gz BVVDMLIPOHGIHL-UHFFFAOYSA-N -2 3 353.389 0.263 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000821859381 606466852 /nfs/dbraw/zinc/46/68/52/606466852.db2.gz NQIVTERFJJOWDL-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000821859381 606466853 /nfs/dbraw/zinc/46/68/53/606466853.db2.gz NQIVTERFJJOWDL-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C1CCCC1 ZINC000823050015 606653898 /nfs/dbraw/zinc/65/38/98/606653898.db2.gz OTTKMUDNYQNZEJ-UHFFFAOYSA-N -2 3 351.388 0.634 20 0 FCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C1CCCC1 ZINC000823050015 606653899 /nfs/dbraw/zinc/65/38/99/606653899.db2.gz OTTKMUDNYQNZEJ-UHFFFAOYSA-N -2 3 351.388 0.634 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)sc1C(=O)[O-] ZINC000822211753 606711315 /nfs/dbraw/zinc/71/13/15/606711315.db2.gz NHBGAURULTZJEU-UHFFFAOYSA-N -3 3 369.388 0.469 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821681813 606746341 /nfs/dbraw/zinc/74/63/41/606746341.db2.gz SEXIOEOFMHBYQO-SNVBAGLBSA-N -2 3 353.404 0.485 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821681813 606746343 /nfs/dbraw/zinc/74/63/43/606746343.db2.gz SEXIOEOFMHBYQO-SNVBAGLBSA-N -2 3 353.404 0.485 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821681986 606746466 /nfs/dbraw/zinc/74/64/66/606746466.db2.gz XOMFUQLVPPEVFO-JTQLQIEISA-N -2 3 353.404 0.485 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821681986 606746468 /nfs/dbraw/zinc/74/64/68/606746468.db2.gz XOMFUQLVPPEVFO-JTQLQIEISA-N -2 3 353.404 0.485 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCCO1 ZINC000822222969 606749683 /nfs/dbraw/zinc/74/96/83/606749683.db2.gz ZMWTWFMZIGMPSA-AWEZNQCLSA-N -2 3 351.388 0.549 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCCO1 ZINC000822222969 606749685 /nfs/dbraw/zinc/74/96/85/606749685.db2.gz ZMWTWFMZIGMPSA-AWEZNQCLSA-N -2 3 351.388 0.549 20 0 FCADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000820151281 606805517 /nfs/dbraw/zinc/80/55/17/606805517.db2.gz FZWYHBZRUVGPGV-UHFFFAOYSA-N -2 3 359.350 0.799 20 0 FCADHL CC[S@](=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821446683 606890259 /nfs/dbraw/zinc/89/02/59/606890259.db2.gz CIQDDFJYOWVRTL-QFIPXVFZSA-N -2 3 365.387 0.192 20 0 FCADHL NC(=O)C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000822859910 606893121 /nfs/dbraw/zinc/89/31/21/606893121.db2.gz JWBUGTBCNYICDY-UHFFFAOYSA-N -2 3 372.357 0.221 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)O1 ZINC000820678654 606916916 /nfs/dbraw/zinc/91/69/16/606916916.db2.gz WVNTXDLKXARJNF-JOYOIKCWSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)O1 ZINC000820678654 606916918 /nfs/dbraw/zinc/91/69/18/606916918.db2.gz WVNTXDLKXARJNF-JOYOIKCWSA-N -2 3 351.388 0.380 20 0 FCADHL CC[C@H](CCO)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820901713 607003764 /nfs/dbraw/zinc/00/37/64/607003764.db2.gz DVDWITOWWAASRZ-MRVPVSSYSA-N -2 3 361.374 0.832 20 0 FCADHL COCCS(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821694572 607089788 /nfs/dbraw/zinc/08/97/88/607089788.db2.gz SPQATPQJLRKDAD-UHFFFAOYSA-N -2 3 369.403 0.117 20 0 FCADHL CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)[N-]OCC(F)(F)F ZINC000821400808 607096972 /nfs/dbraw/zinc/09/69/72/607096972.db2.gz PRJGTQGWMOTRCC-UHFFFAOYSA-N -2 3 374.279 0.814 20 0 FCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]OCC(F)(F)F ZINC000821400808 607096973 /nfs/dbraw/zinc/09/69/73/607096973.db2.gz PRJGTQGWMOTRCC-UHFFFAOYSA-N -2 3 374.279 0.814 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cncc(F)c1 ZINC000822223538 607097137 /nfs/dbraw/zinc/09/71/37/607097137.db2.gz ANBPUNBOGUABIQ-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cncc(F)c1 ZINC000822223538 607097138 /nfs/dbraw/zinc/09/71/38/607097138.db2.gz ANBPUNBOGUABIQ-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000821700820 607110244 /nfs/dbraw/zinc/11/02/44/607110244.db2.gz ZIYUODYFZMKGCB-UHFFFAOYSA-N -2 3 373.325 0.862 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000821700820 607110246 /nfs/dbraw/zinc/11/02/46/607110246.db2.gz ZIYUODYFZMKGCB-UHFFFAOYSA-N -2 3 373.325 0.862 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823118909 607243115 /nfs/dbraw/zinc/24/31/15/607243115.db2.gz VBNYRCQVFOLRHQ-UHFFFAOYSA-N -2 3 371.748 0.543 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823118909 607243116 /nfs/dbraw/zinc/24/31/16/607243116.db2.gz VBNYRCQVFOLRHQ-UHFFFAOYSA-N -2 3 371.748 0.543 20 0 FCADHL O=S(=O)([N-][C@@H](CO)CC1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487721 607853324 /nfs/dbraw/zinc/85/33/24/607853324.db2.gz XOZARKDWFYXAHG-SECBINFHSA-N -2 3 359.358 0.584 20 0 FCADHL O=S(=O)([N-][C@H](CO)CC1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487722 607853336 /nfs/dbraw/zinc/85/33/36/607853336.db2.gz XOZARKDWFYXAHG-VIFPVBQESA-N -2 3 359.358 0.584 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000824044872 607922017 /nfs/dbraw/zinc/92/20/17/607922017.db2.gz ADOYCVHPWHCEHF-JTQLQIEISA-N -2 3 365.415 0.734 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000824044872 607922018 /nfs/dbraw/zinc/92/20/18/607922018.db2.gz ADOYCVHPWHCEHF-JTQLQIEISA-N -2 3 365.415 0.734 20 0 FCADHL CS[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826225261 607944955 /nfs/dbraw/zinc/94/49/55/607944955.db2.gz XFZPGJUZIZEIIM-SECBINFHSA-N -2 3 355.445 0.954 20 0 FCADHL CS[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826225261 607944956 /nfs/dbraw/zinc/94/49/56/607944956.db2.gz XFZPGJUZIZEIIM-SECBINFHSA-N -2 3 355.445 0.954 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409101 607985542 /nfs/dbraw/zinc/98/55/42/607985542.db2.gz IRHUSFXEDHBNKU-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409101 607985543 /nfs/dbraw/zinc/98/55/43/607985543.db2.gz IRHUSFXEDHBNKU-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826403301 607985681 /nfs/dbraw/zinc/98/56/81/607985681.db2.gz OLEYBVQPODMUAL-LZCJLJQNSA-N -2 3 374.357 0.919 20 0 FCADHL O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826403301 607985682 /nfs/dbraw/zinc/98/56/82/607985682.db2.gz OLEYBVQPODMUAL-LZCJLJQNSA-N -2 3 374.357 0.919 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826461083 608011655 /nfs/dbraw/zinc/01/16/55/608011655.db2.gz FQVUGLVNZCALRB-SECBINFHSA-N -2 3 357.779 0.758 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826402702 608076378 /nfs/dbraw/zinc/07/63/78/608076378.db2.gz ZZZPFXVUORFQBS-MVIFTORASA-N -2 3 363.399 0.362 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826402702 608076379 /nfs/dbraw/zinc/07/63/79/608076379.db2.gz ZZZPFXVUORFQBS-MVIFTORASA-N -2 3 363.399 0.362 20 0 FCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825074982 608144592 /nfs/dbraw/zinc/14/45/92/608144592.db2.gz MERDZRPPBCFPAP-ZJUUUORDSA-N -2 3 353.404 0.879 20 0 FCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825759618 608193943 /nfs/dbraw/zinc/19/39/43/608193943.db2.gz KYZTYEZMMXPDAG-UHFFFAOYSA-N -2 3 361.387 0.281 20 0 FCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825759618 608193944 /nfs/dbraw/zinc/19/39/44/608193944.db2.gz KYZTYEZMMXPDAG-UHFFFAOYSA-N -2 3 361.387 0.281 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)CCCC(F)(F)F ZINC000826358392 608318757 /nfs/dbraw/zinc/31/87/57/608318757.db2.gz RRUJOXZRJHBYKI-UHFFFAOYSA-N -2 3 366.325 0.607 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)CCCC(F)(F)F ZINC000826358392 608318759 /nfs/dbraw/zinc/31/87/59/608318759.db2.gz RRUJOXZRJHBYKI-UHFFFAOYSA-N -2 3 366.325 0.607 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450430 608478851 /nfs/dbraw/zinc/47/88/51/608478851.db2.gz LZJCLNHHXZEBKL-UHFFFAOYSA-N -2 3 362.327 0.042 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450430 608478853 /nfs/dbraw/zinc/47/88/53/608478853.db2.gz LZJCLNHHXZEBKL-UHFFFAOYSA-N -2 3 362.327 0.042 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCCOC1 ZINC000824783345 609352778 /nfs/dbraw/zinc/35/27/78/609352778.db2.gz FTEHTOMGSNWOFM-OAHLLOKOSA-N -2 3 365.415 0.629 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCCOC1 ZINC000824783345 609352782 /nfs/dbraw/zinc/35/27/82/609352782.db2.gz FTEHTOMGSNWOFM-OAHLLOKOSA-N -2 3 365.415 0.629 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826249522 609366459 /nfs/dbraw/zinc/36/64/59/609366459.db2.gz GVTDCRKHFOGSOG-NSHDSACASA-N -2 3 351.388 0.414 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826249522 609366462 /nfs/dbraw/zinc/36/64/62/609366462.db2.gz GVTDCRKHFOGSOG-NSHDSACASA-N -2 3 351.388 0.414 20 0 FCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cn2c(n1)CCCC2 ZINC000826492674 609528978 /nfs/dbraw/zinc/52/89/78/609528978.db2.gz XLLOHNOEVFIPPZ-UHFFFAOYSA-N -2 3 361.387 0.906 20 0 FCADHL COC1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCC1 ZINC000826144377 609573442 /nfs/dbraw/zinc/57/34/42/609573442.db2.gz IAVRTLOLDZRHNR-UHFFFAOYSA-N -2 3 359.358 0.992 20 0 FCADHL C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825014490 609612042 /nfs/dbraw/zinc/61/20/42/609612042.db2.gz WGUPGXHAGRSELN-FUXBKTLASA-N -2 3 359.358 0.991 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)N2CCc3ccccc32)c(=O)[n-]1 ZINC000729902947 665752451 /nfs/dbraw/zinc/75/24/51/665752451.db2.gz LWDSFTNBPNFUQE-UHFFFAOYSA-N -2 3 362.411 0.765 20 0 FCADHL CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000909434807 665002241 /nfs/dbraw/zinc/00/22/41/665002241.db2.gz WLYCTKDFEYPNAQ-LBPRGKRZSA-N -2 3 352.362 0.855 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccccc2OC)o1 ZINC000067439090 665010947 /nfs/dbraw/zinc/01/09/47/665010947.db2.gz SHQWAMOTDNWVTM-UHFFFAOYSA-N -2 3 353.356 0.271 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cccnc2)o1 ZINC000031551606 666120916 /nfs/dbraw/zinc/12/09/16/666120916.db2.gz OSKYVHMWIGITJV-UHFFFAOYSA-N -2 3 366.399 0.826 20 0 FCADHL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)c1 ZINC000064475767 666458124 /nfs/dbraw/zinc/45/81/24/666458124.db2.gz YKBVBBQYMFIOFC-UHFFFAOYSA-N -2 3 361.445 0.094 20 0 FCADHL Cn1cnc(S(=O)(=O)[N-][N-]C(=O)CCOc2ccccc2)c1Cl ZINC000060838601 666588697 /nfs/dbraw/zinc/58/86/97/666588697.db2.gz JECMDQLLKKATFK-UHFFFAOYSA-N -2 3 358.807 0.852 20 0 FCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000754353259 667593487 /nfs/dbraw/zinc/59/34/87/667593487.db2.gz ASVKZFXONYKBKZ-UHFFFAOYSA-N -2 3 355.351 0.020 20 0 FCADHL CC[C@@H](C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000776539973 668269519 /nfs/dbraw/zinc/26/95/19/668269519.db2.gz RCQVKVWRGOSSIE-ZETCQYMHSA-N -2 3 351.402 0.932 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)nc1Cl ZINC000772196610 668293256 /nfs/dbraw/zinc/29/32/56/668293256.db2.gz BVVHLVQMHRFCFM-CMPLNLGQSA-N -2 3 373.818 0.409 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)c2ccco2)cc1F ZINC000772760546 668327129 /nfs/dbraw/zinc/32/71/29/668327129.db2.gz YYQCSIWHFLBLPA-UHFFFAOYSA-N -2 3 362.360 0.909 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCCOCC2)c(F)cc1F ZINC000782212625 668550289 /nfs/dbraw/zinc/55/02/89/668550289.db2.gz TYYGGMAYQHHPCI-UHFFFAOYSA-N -2 3 364.370 0.664 20 0 FCADHL CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784525875 668662104 /nfs/dbraw/zinc/66/21/04/668662104.db2.gz NZIUOGGWQFIQNU-NSHDSACASA-N -2 3 370.399 0.996 20 0 FCADHL CS/C=C\C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784896923 668681106 /nfs/dbraw/zinc/68/11/06/668681106.db2.gz AXQSDNZWUIAFTJ-WAYWQWQTSA-N -2 3 368.433 0.879 20 0 FCADHL CCCC[C@H](NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000821043633 669152030 /nfs/dbraw/zinc/15/20/30/669152030.db2.gz QYAOQHKXLTVPOT-LBPRGKRZSA-N -2 3 353.404 0.930 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826152953 669486508 /nfs/dbraw/zinc/48/65/08/669486508.db2.gz VGECSDOJYCKNSO-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826152953 669486511 /nfs/dbraw/zinc/48/65/11/669486511.db2.gz VGECSDOJYCKNSO-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000826279097 669489439 /nfs/dbraw/zinc/48/94/39/669489439.db2.gz FPBKUWTYOJAHOU-JQWIXIFHSA-N -2 3 365.415 0.795 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000826279097 669489444 /nfs/dbraw/zinc/48/94/44/669489444.db2.gz FPBKUWTYOJAHOU-JQWIXIFHSA-N -2 3 365.415 0.795 20 0 FCADHL O=C([N-]S(=O)(=O)CCOc1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449698 669494199 /nfs/dbraw/zinc/49/41/99/669494199.db2.gz FWRRJGGRTHMESQ-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL O=C([N-]S(=O)(=O)CCOc1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449698 669494203 /nfs/dbraw/zinc/49/42/03/669494203.db2.gz FWRRJGGRTHMESQ-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL O=C([N-]CC1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1)C(F)(F)F ZINC000831124715 669829305 /nfs/dbraw/zinc/82/93/05/669829305.db2.gz CHHIUXMVTQBCKR-UHFFFAOYSA-N -2 3 359.333 0.769 20 0 FCADHL CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(N)=O ZINC000840892373 670524641 /nfs/dbraw/zinc/52/46/41/670524641.db2.gz YPLRGPJJTTXKOI-RXMQYKEDSA-N -2 3 371.234 0.751 20 0 FCADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])c1 ZINC000844792405 670944238 /nfs/dbraw/zinc/94/42/38/670944238.db2.gz VRRCBUQJCIUVCA-JTQLQIEISA-N -2 3 362.770 0.811 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c(Cl)cc1Cl ZINC000849221760 671322639 /nfs/dbraw/zinc/32/26/39/671322639.db2.gz VEVUCGUYSRYCIC-MRVPVSSYSA-N -2 3 372.182 0.504 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCOC[C@H]1CCCO1 ZINC000852737817 671522616 /nfs/dbraw/zinc/52/26/16/671522616.db2.gz VPPCCLCZKFOZMF-WOPDTQHZSA-N -2 3 368.352 0.778 20 0 FCADHL O=C(c1cc([O-])cc(Br)c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000859277854 671807611 /nfs/dbraw/zinc/80/76/11/671807611.db2.gz DGOVDMUVEBXNAK-JTQLQIEISA-N -2 3 354.164 0.882 20 0 FCADHL O=C([N-]N1CCOC1=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000862699109 672067991 /nfs/dbraw/zinc/06/79/91/672067991.db2.gz CKEHKHGCNXFYDF-UHFFFAOYSA-N -2 3 361.326 0.503 20 0 FCADHL COC(=O)Cc1nc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n[n-]1 ZINC000735813263 1197883993 /nfs/dbraw/zinc/88/39/93/1197883993.db2.gz XUFGFISTQDGEOF-UHFFFAOYSA-N -2 3 374.382 0.308 20 0 FCADHL CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1nnc2ccccc2c1[O-] ZINC000737970642 1199028440 /nfs/dbraw/zinc/02/84/40/1199028440.db2.gz FDZKDAHICNNBJL-LLVKDONJSA-N -2 3 372.381 0.731 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3ccc4oc(=O)nc-4[n-]3)C2)n1 ZINC001177888436 1206349570 /nfs/dbraw/zinc/34/95/70/1206349570.db2.gz DCEHTNVQUHJKML-SECBINFHSA-N -2 3 356.342 0.741 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000957942856 1213369339 /nfs/dbraw/zinc/36/93/39/1213369339.db2.gz QYJYQANAQMLVDG-MWLCHTKSSA-N -2 3 357.370 0.482 20 0 FCADHL O=c1nc(OC[C@H]2OCCc3cn(Cc4ccncc4)nc32)[n-]c(=O)[n-]1 ZINC001227565569 1225878770 /nfs/dbraw/zinc/87/87/70/1225878770.db2.gz AIMXMGASDVRQDR-GFCCVEGCSA-N -2 3 356.342 0.615 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001098989647 1219882045 /nfs/dbraw/zinc/88/20/45/1219882045.db2.gz HGRNMBMAARMMBB-QFYYESIMSA-N -2 3 359.390 0.099 20 0 FCADHL Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@]3(CNCc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001099414592 1219986079 /nfs/dbraw/zinc/98/60/79/1219986079.db2.gz YCLAKPSPOUYZDW-QFYYESIMSA-N -2 3 361.406 0.280 20 0 FCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000830820177 1222482721 /nfs/dbraw/zinc/48/27/21/1222482721.db2.gz DEMYWVBKZIJFQA-OAHLLOKOSA-N -2 3 369.299 0.853 20 0 FCADHL CC(C)CC(=O)[N-][N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000024369690 1245291472 /nfs/dbraw/zinc/29/14/72/1245291472.db2.gz FICKWFNMGOKWGO-UHFFFAOYSA-N -2 3 363.461 0.293 20 0 FCADHL Cc1nc(C)c(CC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c(=O)[n-]1 ZINC000031258409 1245293073 /nfs/dbraw/zinc/29/30/73/1245293073.db2.gz ACPUAYQUJBKDJV-UHFFFAOYSA-N -2 3 359.411 0.886 20 0 FCADHL C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574544819 1271332073 /nfs/dbraw/zinc/33/20/73/1271332073.db2.gz UUWVKLKAYOHJJT-ZJUUUORDSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574544819 1271332082 /nfs/dbraw/zinc/33/20/82/1271332082.db2.gz UUWVKLKAYOHJJT-ZJUUUORDSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574651410 1271450879 /nfs/dbraw/zinc/45/08/79/1271450879.db2.gz YKMWTEDQSUSDSV-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574651410 1271450886 /nfs/dbraw/zinc/45/08/86/1271450886.db2.gz YKMWTEDQSUSDSV-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574804257 1271542606 /nfs/dbraw/zinc/54/26/06/1271542606.db2.gz RUYUXHZXFHOWSY-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575355429 1271984150 /nfs/dbraw/zinc/98/41/50/1271984150.db2.gz GXKGFOPUIYIIOB-IUCAKERBSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575355429 1271984154 /nfs/dbraw/zinc/98/41/54/1271984154.db2.gz GXKGFOPUIYIIOB-IUCAKERBSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576351196 1273175117 /nfs/dbraw/zinc/17/51/17/1273175117.db2.gz KTKWMPOAPRWFRB-JQWIXIFHSA-N -2 3 366.385 0.935 20 0 FCADHL CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576850321 1273800422 /nfs/dbraw/zinc/80/04/22/1273800422.db2.gz CQQYRZINXBLPGD-QMMMGPOBSA-N -2 3 358.366 0.014 20 0 FCADHL CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576850321 1273800437 /nfs/dbraw/zinc/80/04/37/1273800437.db2.gz CQQYRZINXBLPGD-QMMMGPOBSA-N -2 3 358.366 0.014 20 0 FCADHL O=C([O-])[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001602202728 1286967748 /nfs/dbraw/zinc/96/77/48/1286967748.db2.gz CGGPFJXWUGAHTH-IONNQARKSA-N -2 3 351.178 0.365 20 0 FCADHL CCN(c1ccc(-c2nnn[n-]2)nn1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001578191014 1275480916 /nfs/dbraw/zinc/48/09/16/1275480916.db2.gz XRTFOLDPJNCOAI-MRVPVSSYSA-N -2 3 372.393 0.039 20 0 FCADHL CCN(c1ccc(-c2nn[n-]n2)nn1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001578191014 1275480921 /nfs/dbraw/zinc/48/09/21/1275480921.db2.gz XRTFOLDPJNCOAI-MRVPVSSYSA-N -2 3 372.393 0.039 20 0 FCADHL CCn1[n-]nnc1=NC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001578838884 1276358949 /nfs/dbraw/zinc/35/89/49/1276358949.db2.gz ZGJFLUWHDWZOTG-UHFFFAOYSA-N -2 3 356.394 0.438 20 0 FCADHL CCn1[n-]nnc1=NC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001578838884 1276358950 /nfs/dbraw/zinc/35/89/50/1276358950.db2.gz ZGJFLUWHDWZOTG-UHFFFAOYSA-N -2 3 356.394 0.438 20 0 FCADHL CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[n-]n2c1nccc2=O ZINC001579236647 1277043344 /nfs/dbraw/zinc/04/33/44/1277043344.db2.gz WMSONIJRPAYKAJ-UHFFFAOYSA-N -2 3 364.369 0.517 20 0 FCADHL CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[n-]n2c1nccc2=O ZINC001579236647 1277043345 /nfs/dbraw/zinc/04/33/45/1277043345.db2.gz WMSONIJRPAYKAJ-UHFFFAOYSA-N -2 3 364.369 0.517 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)c1cc(Br)ccc1-c1nnn[n-]1 ZINC001579266519 1277063583 /nfs/dbraw/zinc/06/35/83/1277063583.db2.gz QLNJSYCBGWPVEC-UHFFFAOYSA-N -2 3 352.152 0.942 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)c1cc(Br)ccc1-c1nn[n-]n1 ZINC001579266519 1277063584 /nfs/dbraw/zinc/06/35/84/1277063584.db2.gz QLNJSYCBGWPVEC-UHFFFAOYSA-N -2 3 352.152 0.942 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001579266323 1277064048 /nfs/dbraw/zinc/06/40/48/1277064048.db2.gz HYZLPKASMZMPPX-UHFFFAOYSA-N -2 3 361.337 0.618 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001579266323 1277064050 /nfs/dbraw/zinc/06/40/50/1277064050.db2.gz HYZLPKASMZMPPX-UHFFFAOYSA-N -2 3 361.337 0.618 20 0 FCADHL COC(=O)C(F)(F)C[N-]S(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001579436107 1277309770 /nfs/dbraw/zinc/30/97/70/1277309770.db2.gz HAGPBBWVJBQMFF-UHFFFAOYSA-N -2 3 367.359 0.156 20 0 FCADHL COc1ccc([O-])c(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001580046944 1277998334 /nfs/dbraw/zinc/99/83/34/1277998334.db2.gz VFDBAOMJAOWULN-UHFFFAOYSA-N -2 3 368.400 0.516 20 0 FCADHL COc1ccc([O-])c(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001580046944 1277998337 /nfs/dbraw/zinc/99/83/37/1277998337.db2.gz VFDBAOMJAOWULN-UHFFFAOYSA-N -2 3 368.400 0.516 20 0 FCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001603319246 1287354657 /nfs/dbraw/zinc/35/46/57/1287354657.db2.gz RJWYEKZNNSKJPT-UHFFFAOYSA-N -2 3 358.811 0.835 20 0 FCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001603319246 1287354661 /nfs/dbraw/zinc/35/46/61/1287354661.db2.gz RJWYEKZNNSKJPT-UHFFFAOYSA-N -2 3 358.811 0.835 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1[O-] ZINC001581391357 1279822244 /nfs/dbraw/zinc/82/22/44/1279822244.db2.gz HVNOACSCWCPMCS-DTORHVGOSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)c1[O-] ZINC001581391729 1279822373 /nfs/dbraw/zinc/82/23/73/1279822373.db2.gz NRZJQZPUCIIYEL-ZETCQYMHSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001581391745 1279822811 /nfs/dbraw/zinc/82/28/11/1279822811.db2.gz NXIPQUXMAHRFRY-DTORHVGOSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)c1[O-] ZINC001581391827 1279823904 /nfs/dbraw/zinc/82/39/04/1279823904.db2.gz XZJZUMWXRFBMBU-SNVBAGLBSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)c1[O-] ZINC001581391827 1279823906 /nfs/dbraw/zinc/82/39/06/1279823906.db2.gz XZJZUMWXRFBMBU-SNVBAGLBSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NCC2CC(Nc3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581392204 1279825563 /nfs/dbraw/zinc/82/55/63/1279825563.db2.gz ZTSMXMIMYSUBFH-UHFFFAOYSA-N -2 3 369.389 0.619 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001609241446 1289015166 /nfs/dbraw/zinc/01/51/66/1289015166.db2.gz YOGFQIRXXMTYSP-UHFFFAOYSA-N -2 3 365.394 0.446 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001609241446 1289015171 /nfs/dbraw/zinc/01/51/71/1289015171.db2.gz YOGFQIRXXMTYSP-UHFFFAOYSA-N -2 3 365.394 0.446 20 0 FCADHL C[C@@H](CCCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001603473433 1287382146 /nfs/dbraw/zinc/38/21/46/1287382146.db2.gz ABAJPACZZIQCNN-JTQLQIEISA-N -2 3 369.389 0.190 20 0 FCADHL Cc1nn(C)c(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)c1-c1nnn[n-]1 ZINC001581593486 1280191726 /nfs/dbraw/zinc/19/17/26/1280191726.db2.gz FVDBOZMPFYVYNI-UHFFFAOYSA-N -2 3 359.394 0.236 20 0 FCADHL Cc1nn(C)c(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)c1-c1nn[n-]n1 ZINC001581593486 1280191730 /nfs/dbraw/zinc/19/17/30/1280191730.db2.gz FVDBOZMPFYVYNI-UHFFFAOYSA-N -2 3 359.394 0.236 20 0 FCADHL Cc1nsc(N2CC[C@H](NC(=O)c3ncccc3[O-])C2)c1-c1nnn[n-]1 ZINC001581674731 1280383777 /nfs/dbraw/zinc/38/37/77/1280383777.db2.gz KQWZPKMJWDVJIX-VIFPVBQESA-N -2 3 372.414 0.741 20 0 FCADHL Cc1nsc(N2CC[C@H](NC(=O)c3ncccc3[O-])C2)c1-c1nn[n-]n1 ZINC001581674731 1280383782 /nfs/dbraw/zinc/38/37/82/1280383782.db2.gz KQWZPKMJWDVJIX-VIFPVBQESA-N -2 3 372.414 0.741 20 0 FCADHL O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001582048496 1280970700 /nfs/dbraw/zinc/97/07/00/1280970700.db2.gz HFQHICLYSBICED-UHFFFAOYSA-N -2 3 356.346 0.239 20 0 FCADHL C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@H](C)C(=O)[O-] ZINC001603676672 1287465392 /nfs/dbraw/zinc/46/53/92/1287465392.db2.gz LKAPNJYDCJRCOI-NKWVEPMBSA-N -2 3 359.795 0.908 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001582110378 1281062648 /nfs/dbraw/zinc/06/26/48/1281062648.db2.gz GGTWYJSIVJMWBP-UHFFFAOYSA-N -2 3 357.305 0.475 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001582110378 1281062652 /nfs/dbraw/zinc/06/26/52/1281062652.db2.gz GGTWYJSIVJMWBP-UHFFFAOYSA-N -2 3 357.305 0.475 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603751646 1287487288 /nfs/dbraw/zinc/48/72/88/1287487288.db2.gz MCPGXWQENZSZGZ-CQSZACIVSA-N -2 3 351.388 0.493 20 0 FCADHL O=C(NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)c1ncccc1[O-] ZINC001582350246 1281394646 /nfs/dbraw/zinc/39/46/46/1281394646.db2.gz SRWRXLHJIWMYMN-SECBINFHSA-N -2 3 373.348 0.309 20 0 FCADHL O=C(NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)c1ncccc1[O-] ZINC001582350246 1281394657 /nfs/dbraw/zinc/39/46/57/1281394657.db2.gz SRWRXLHJIWMYMN-SECBINFHSA-N -2 3 373.348 0.309 20 0 FCADHL O=C(NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1)c1ncccc1[O-] ZINC001582364408 1281418065 /nfs/dbraw/zinc/41/80/65/1281418065.db2.gz ZKLPKFSAUHRTAZ-CYBMUJFWSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1)c1ncccc1[O-] ZINC001582364408 1281418070 /nfs/dbraw/zinc/41/80/70/1281418070.db2.gz ZKLPKFSAUHRTAZ-CYBMUJFWSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1ncccc1[O-] ZINC001582403434 1281468067 /nfs/dbraw/zinc/46/80/67/1281468067.db2.gz UWQFJGVKESWQTR-UHFFFAOYSA-N -2 3 353.346 0.132 20 0 FCADHL O=C(NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1ncccc1[O-] ZINC001582403434 1281468073 /nfs/dbraw/zinc/46/80/73/1281468073.db2.gz UWQFJGVKESWQTR-UHFFFAOYSA-N -2 3 353.346 0.132 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC[C@@H]1C(=O)[O-] ZINC001603939939 1287539659 /nfs/dbraw/zinc/53/96/59/1287539659.db2.gz XVQLQZSJOZJUGD-SKDRFNHKSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC[C@@H]1C(=O)[O-] ZINC001603939939 1287539662 /nfs/dbraw/zinc/53/96/62/1287539662.db2.gz XVQLQZSJOZJUGD-SKDRFNHKSA-N -2 3 351.388 0.598 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001582790249 1282005916 /nfs/dbraw/zinc/00/59/16/1282005916.db2.gz HLIPEQLIGYDGPP-UHFFFAOYSA-N -2 3 362.396 0.778 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001604009498 1287552926 /nfs/dbraw/zinc/55/29/26/1287552926.db2.gz PGKXGQYJSYGXHO-SECBINFHSA-N -2 3 371.394 0.767 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001604009498 1287552934 /nfs/dbraw/zinc/55/29/34/1287552934.db2.gz PGKXGQYJSYGXHO-SECBINFHSA-N -2 3 371.394 0.767 20 0 FCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001609243872 1289016818 /nfs/dbraw/zinc/01/68/18/1289016818.db2.gz RJRKKCPGLHBLKU-CQSZACIVSA-N -2 3 350.335 0.223 20 0 FCADHL CC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001588920686 1282728598 /nfs/dbraw/zinc/72/85/98/1282728598.db2.gz UGHHXHNBNIFSSJ-UHFFFAOYSA-N -2 3 372.366 0.583 20 0 FCADHL CC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001588920686 1282728606 /nfs/dbraw/zinc/72/86/06/1282728606.db2.gz UGHHXHNBNIFSSJ-UHFFFAOYSA-N -2 3 372.366 0.583 20 0 FCADHL C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588936616 1282733901 /nfs/dbraw/zinc/73/39/01/1282733901.db2.gz LXXVHJVUEGBGAE-SSDOTTSWSA-N -2 3 358.811 0.739 20 0 FCADHL C[C@@H](C(=O)[O-])C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001589025052 1282773741 /nfs/dbraw/zinc/77/37/41/1282773741.db2.gz JINYCIHKDBJLBT-ZETCQYMHSA-N -2 3 355.351 0.537 20 0 FCADHL CC(C)OCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001589744113 1282970643 /nfs/dbraw/zinc/97/06/43/1282970643.db2.gz STRXVMHZBCIGPR-UHFFFAOYSA-N -2 3 357.367 0.377 20 0 FCADHL CC(C)OCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001589744113 1282970653 /nfs/dbraw/zinc/97/06/53/1282970653.db2.gz STRXVMHZBCIGPR-UHFFFAOYSA-N -2 3 357.367 0.377 20 0 FCADHL C[C@H](CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001589816132 1283050105 /nfs/dbraw/zinc/05/01/05/1283050105.db2.gz HXNLZTVVZCZRPL-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589831021 1283071254 /nfs/dbraw/zinc/07/12/54/1283071254.db2.gz QBNSRTNIEJNKPX-MRVPVSSYSA-N -2 3 357.367 0.536 20 0 FCADHL C[C@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589831021 1283071264 /nfs/dbraw/zinc/07/12/64/1283071264.db2.gz QBNSRTNIEJNKPX-MRVPVSSYSA-N -2 3 357.367 0.536 20 0 FCADHL C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589918720 1283130471 /nfs/dbraw/zinc/13/04/71/1283130471.db2.gz OGRJQVHEOBGRCJ-TVYUQYBPSA-N -2 3 372.385 0.413 20 0 FCADHL C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589918720 1283130473 /nfs/dbraw/zinc/13/04/73/1283130473.db2.gz OGRJQVHEOBGRCJ-TVYUQYBPSA-N -2 3 372.385 0.413 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001590071454 1283200959 /nfs/dbraw/zinc/20/09/59/1283200959.db2.gz MVLMPOHFZNJBBL-UHFFFAOYSA-N -2 3 369.378 0.881 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001590071171 1283201487 /nfs/dbraw/zinc/20/14/87/1283201487.db2.gz GPCCLMMVUHFOSG-CQSZACIVSA-N -2 3 369.378 0.775 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001590071171 1283201493 /nfs/dbraw/zinc/20/14/93/1283201493.db2.gz GPCCLMMVUHFOSG-CQSZACIVSA-N -2 3 369.378 0.775 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001590071635 1283202489 /nfs/dbraw/zinc/20/24/89/1283202489.db2.gz SBKCSDOASBSFAC-HNNXBMFYSA-N -2 3 362.321 0.268 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001590071635 1283202495 /nfs/dbraw/zinc/20/24/95/1283202495.db2.gz SBKCSDOASBSFAC-HNNXBMFYSA-N -2 3 362.321 0.268 20 0 FCADHL CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2csc(-c3nnn[n-]3)c2)CO1 ZINC001590085555 1283207682 /nfs/dbraw/zinc/20/76/82/1283207682.db2.gz SHPBBAIAVNXUMW-QMMMGPOBSA-N -2 3 357.417 0.555 20 0 FCADHL C[C@]12CCC(=O)N1[C@@H](C(=O)[N-]Oc1cccc(-c3nnn[n-]3)c1)CS2 ZINC001590155781 1283251322 /nfs/dbraw/zinc/25/13/22/1283251322.db2.gz LFMUPSMFXUUCKO-ABAIWWIYSA-N -2 3 360.399 0.731 20 0 FCADHL C[C@]12CCC(=O)N1[C@@H](C(=O)[N-]Oc1cccc(-c3nn[n-]n3)c1)CS2 ZINC001590155781 1283251325 /nfs/dbraw/zinc/25/13/25/1283251325.db2.gz LFMUPSMFXUUCKO-ABAIWWIYSA-N -2 3 360.399 0.731 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001590186649 1283292702 /nfs/dbraw/zinc/29/27/02/1283292702.db2.gz XMSCDHUBYRXCNN-MWLCHTKSSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590186649 1283292712 /nfs/dbraw/zinc/29/27/12/1283292712.db2.gz XMSCDHUBYRXCNN-MWLCHTKSSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C)O1 ZINC001590184012 1283292786 /nfs/dbraw/zinc/29/27/86/1283292786.db2.gz ZJPILVJMQBBZIL-KBVBSXBZSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)O1 ZINC001590184012 1283292795 /nfs/dbraw/zinc/29/27/95/1283292795.db2.gz ZJPILVJMQBBZIL-KBVBSXBZSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C(=O)O1 ZINC001590208523 1283328786 /nfs/dbraw/zinc/32/87/86/1283328786.db2.gz XCLWMDOPCYXWTH-SSDLBLMSSA-N -2 3 359.314 0.127 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001590309178 1283451951 /nfs/dbraw/zinc/45/19/51/1283451951.db2.gz KRYKJROONXOJRH-KBVBSXBZSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001590309178 1283451958 /nfs/dbraw/zinc/45/19/58/1283451958.db2.gz KRYKJROONXOJRH-KBVBSXBZSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC[C@@H]1C(=O)[O-] ZINC001590312059 1283457884 /nfs/dbraw/zinc/45/78/84/1283457884.db2.gz GYBOQKSOVYNIQS-WPRPVWTQSA-N -2 3 369.378 0.737 20 0 FCADHL C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590354047 1283497246 /nfs/dbraw/zinc/49/72/46/1283497246.db2.gz RMHDDMAYRCHNPY-XADBCAIWSA-N -2 3 359.358 0.750 20 0 FCADHL CC[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1)C(=O)[O-] ZINC001590436198 1283533387 /nfs/dbraw/zinc/53/33/87/1283533387.db2.gz IEDJKSYUQMMMSA-SNVBAGLBSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1)C(=O)[O-] ZINC001590436198 1283533399 /nfs/dbraw/zinc/53/33/99/1283533399.db2.gz IEDJKSYUQMMMSA-SNVBAGLBSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@H](CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001590446306 1283541845 /nfs/dbraw/zinc/54/18/45/1283541845.db2.gz JRJWUOHXTRFNIN-MRVPVSSYSA-N -2 3 357.367 0.536 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001590500586 1283570303 /nfs/dbraw/zinc/57/03/03/1283570303.db2.gz SAWUWLXFHAXUBA-PWSUYJOCSA-N -2 3 366.403 0.444 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001590500586 1283570310 /nfs/dbraw/zinc/57/03/10/1283570310.db2.gz SAWUWLXFHAXUBA-PWSUYJOCSA-N -2 3 366.403 0.444 20 0 FCADHL CCC[C@H](OCC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590561985 1283606027 /nfs/dbraw/zinc/60/60/27/1283606027.db2.gz QLOXYJCLYQAGKF-LBPRGKRZSA-N -2 3 353.404 0.877 20 0 FCADHL CCC[C@H](OCC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590561985 1283606044 /nfs/dbraw/zinc/60/60/44/1283606044.db2.gz QLOXYJCLYQAGKF-LBPRGKRZSA-N -2 3 353.404 0.877 20 0 FCADHL CCC[C@H](O)[C@@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(=O)[O-] ZINC001590560362 1283608899 /nfs/dbraw/zinc/60/88/99/1283608899.db2.gz NFCGLMHDTAEYKV-CMPLNLGQSA-N -2 3 369.403 0.068 20 0 FCADHL CCOCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001590802834 1283868289 /nfs/dbraw/zinc/86/82/89/1283868289.db2.gz CENBTYZPIXYPNT-UHFFFAOYSA-N -2 3 357.367 0.378 20 0 FCADHL CCOCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001590802834 1283868304 /nfs/dbraw/zinc/86/83/04/1283868304.db2.gz CENBTYZPIXYPNT-UHFFFAOYSA-N -2 3 357.367 0.378 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001590816775 1283898964 /nfs/dbraw/zinc/89/89/64/1283898964.db2.gz RXFWJGHLRZIZMC-CYBMUJFWSA-N -2 3 360.374 0.055 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001590816775 1283898980 /nfs/dbraw/zinc/89/89/80/1283898980.db2.gz RXFWJGHLRZIZMC-CYBMUJFWSA-N -2 3 360.374 0.055 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cccc(N(C)C)c1 ZINC001590966172 1284023447 /nfs/dbraw/zinc/02/34/47/1284023447.db2.gz VWKARIDIRAQBFV-UHFFFAOYSA-N -2 3 362.419 0.950 20 0 FCADHL CN([C@@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590999822 1284054432 /nfs/dbraw/zinc/05/44/32/1284054432.db2.gz QXXODMJVIDDDKB-NSHDSACASA-N -2 3 368.419 0.772 20 0 FCADHL CN([C@@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590999822 1284054436 /nfs/dbraw/zinc/05/44/36/1284054436.db2.gz QXXODMJVIDDDKB-NSHDSACASA-N -2 3 368.419 0.772 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001604616381 1287689295 /nfs/dbraw/zinc/68/92/95/1287689295.db2.gz SLMYCHBJWDPJGU-GFCCVEGCSA-N -2 3 361.358 0.135 20 0 FCADHL CN1C(=O)Cc2cc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)ccc21 ZINC001591164568 1284242343 /nfs/dbraw/zinc/24/23/43/1284242343.db2.gz DIBIDMODUKRGRG-UHFFFAOYSA-N -2 3 371.382 0.581 20 0 FCADHL CN1C(=O)Cc2cc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)ccc21 ZINC001591164568 1284242351 /nfs/dbraw/zinc/24/23/51/1284242351.db2.gz DIBIDMODUKRGRG-UHFFFAOYSA-N -2 3 371.382 0.581 20 0 FCADHL CNC(=O)c1cccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001591215579 1284350022 /nfs/dbraw/zinc/35/00/22/1284350022.db2.gz YTAGSRQNGULHTL-UHFFFAOYSA-N -2 3 359.371 0.422 20 0 FCADHL CNC(=O)c1cccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001591215579 1284350031 /nfs/dbraw/zinc/35/00/31/1284350031.db2.gz YTAGSRQNGULHTL-UHFFFAOYSA-N -2 3 359.371 0.422 20 0 FCADHL CNS(=O)(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)o2)ccc1[O-] ZINC001591220007 1284362860 /nfs/dbraw/zinc/36/28/60/1284362860.db2.gz IJAGEAYRDHWBPF-UHFFFAOYSA-N -2 3 364.343 0.326 20 0 FCADHL CNS(=O)(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)ccc1[O-] ZINC001591220007 1284362868 /nfs/dbraw/zinc/36/28/68/1284362868.db2.gz IJAGEAYRDHWBPF-UHFFFAOYSA-N -2 3 364.343 0.326 20 0 FCADHL COC(=O)CCS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1C(C)=O ZINC001591264410 1284420847 /nfs/dbraw/zinc/42/08/47/1284420847.db2.gz ABXDHXWMTPWKGP-UHFFFAOYSA-N -2 3 353.360 0.374 20 0 FCADHL CO[C@H](C(=O)[O-])C(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591315189 1284463601 /nfs/dbraw/zinc/46/36/01/1284463601.db2.gz GIOXFPJXDFVXMZ-IUCAKERBSA-N -2 3 359.264 0.686 20 0 FCADHL CO[C@H](C(=O)[O-])C(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591315189 1284463603 /nfs/dbraw/zinc/46/36/03/1284463603.db2.gz GIOXFPJXDFVXMZ-IUCAKERBSA-N -2 3 359.264 0.686 20 0 FCADHL COC1CCC(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001591348354 1284484380 /nfs/dbraw/zinc/48/43/80/1284484380.db2.gz SBJAWUCUFKFKSW-UHFFFAOYSA-N -2 3 365.415 0.877 20 0 FCADHL COC1CCC(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001591348354 1284484383 /nfs/dbraw/zinc/48/43/83/1284484383.db2.gz SBJAWUCUFKFKSW-UHFFFAOYSA-N -2 3 365.415 0.877 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@](C)(C(=O)[O-])C1 ZINC001591362576 1284499912 /nfs/dbraw/zinc/49/99/12/1284499912.db2.gz QRTNVULYRGZXIO-OTYXRUKQSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@](C)(C(=O)[O-])C1 ZINC001591362576 1284499926 /nfs/dbraw/zinc/49/99/26/1284499926.db2.gz QRTNVULYRGZXIO-OTYXRUKQSA-N -2 3 367.387 0.119 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001591370954 1284507755 /nfs/dbraw/zinc/50/77/55/1284507755.db2.gz JTSSFKVUTSFISA-RMKNXTFCSA-N -2 3 351.388 0.573 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001591370954 1284507761 /nfs/dbraw/zinc/50/77/61/1284507761.db2.gz JTSSFKVUTSFISA-RMKNXTFCSA-N -2 3 351.388 0.573 20 0 FCADHL COCC(COC)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001591378159 1284515841 /nfs/dbraw/zinc/51/58/41/1284515841.db2.gz YGMABOOCVHXADE-UHFFFAOYSA-N -2 3 363.346 0.085 20 0 FCADHL COCc1cncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591459180 1284623410 /nfs/dbraw/zinc/62/34/10/1284623410.db2.gz BOKAEIGPBHJSSP-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL COCc1cncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591459180 1284623414 /nfs/dbraw/zinc/62/34/14/1284623414.db2.gz BOKAEIGPBHJSSP-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC001591504336 1284684531 /nfs/dbraw/zinc/68/45/31/1284684531.db2.gz IVMWZXYYBANUKE-UHFFFAOYSA-N -2 3 355.376 0.359 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC001591504336 1284684545 /nfs/dbraw/zinc/68/45/45/1284684545.db2.gz IVMWZXYYBANUKE-UHFFFAOYSA-N -2 3 355.376 0.359 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC001591504363 1284685236 /nfs/dbraw/zinc/68/52/36/1284685236.db2.gz NKJUUBJOYDPBFP-LLVKDONJSA-N -2 3 369.403 0.653 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC001591504363 1284685248 /nfs/dbraw/zinc/68/52/48/1284685248.db2.gz NKJUUBJOYDPBFP-LLVKDONJSA-N -2 3 369.403 0.653 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001591505982 1284691306 /nfs/dbraw/zinc/69/13/06/1284691306.db2.gz MKFKLTKEZPVPHW-JTQLQIEISA-N -2 3 367.387 0.503 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001591505982 1284691316 /nfs/dbraw/zinc/69/13/16/1284691316.db2.gz MKFKLTKEZPVPHW-JTQLQIEISA-N -2 3 367.387 0.503 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C1CC1 ZINC001591508225 1284696173 /nfs/dbraw/zinc/69/61/73/1284696173.db2.gz LKZZKFIUHLORBU-MNOVXSKESA-N -2 3 363.399 0.726 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C1CC1 ZINC001591508225 1284696183 /nfs/dbraw/zinc/69/61/83/1284696183.db2.gz LKZZKFIUHLORBU-MNOVXSKESA-N -2 3 363.399 0.726 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cn1 ZINC001591572996 1284748105 /nfs/dbraw/zinc/74/81/05/1284748105.db2.gz GZTLPWSHRVCGGC-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC001591572996 1284748115 /nfs/dbraw/zinc/74/81/15/1284748115.db2.gz GZTLPWSHRVCGGC-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL CSc1ccc(CNC(=O)C(=O)[N-]OCC(C)C)cc1-c1nnn[n-]1 ZINC001591709605 1284850684 /nfs/dbraw/zinc/85/06/84/1284850684.db2.gz WNDCXQVKZJLULD-UHFFFAOYSA-N -2 3 364.431 0.909 20 0 FCADHL CSc1ccc(CNC(=O)C(=O)[N-]OCC(C)C)cc1-c1nn[n-]n1 ZINC001591709605 1284850694 /nfs/dbraw/zinc/85/06/94/1284850694.db2.gz WNDCXQVKZJLULD-UHFFFAOYSA-N -2 3 364.431 0.909 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591735749 1284865357 /nfs/dbraw/zinc/86/53/57/1284865357.db2.gz WDEPMXHBPXTSLZ-RDDDGLTNSA-N -2 3 355.351 0.632 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001591752270 1284879566 /nfs/dbraw/zinc/87/95/66/1284879566.db2.gz GSHZBCUXOPUKRG-RKDXNWHRSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001591752270 1284879569 /nfs/dbraw/zinc/87/95/69/1284879569.db2.gz GSHZBCUXOPUKRG-RKDXNWHRSA-N -2 3 369.378 0.880 20 0 FCADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001591795170 1284910752 /nfs/dbraw/zinc/91/07/52/1284910752.db2.gz XNCNRGYBWIESBE-UHFFFAOYSA-N -2 3 372.374 0.280 20 0 FCADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001591795170 1284910760 /nfs/dbraw/zinc/91/07/60/1284910760.db2.gz XNCNRGYBWIESBE-UHFFFAOYSA-N -2 3 372.374 0.280 20 0 FCADHL Cc1c(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1C ZINC001591830191 1284932462 /nfs/dbraw/zinc/93/24/62/1284932462.db2.gz FTLYYMXJZLDPDW-BQYQJAHWSA-N -2 3 373.398 0.427 20 0 FCADHL Cc1c(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1C ZINC001591830191 1284932472 /nfs/dbraw/zinc/93/24/72/1284932472.db2.gz FTLYYMXJZLDPDW-BQYQJAHWSA-N -2 3 373.398 0.427 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001591872306 1284959224 /nfs/dbraw/zinc/95/92/24/1284959224.db2.gz IEYWMMLFTPOJAR-NSHDSACASA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001591872306 1284959231 /nfs/dbraw/zinc/95/92/31/1284959231.db2.gz IEYWMMLFTPOJAR-NSHDSACASA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001591989697 1285045140 /nfs/dbraw/zinc/04/51/40/1285045140.db2.gz XZZYWIJNMYTGHC-SECBINFHSA-N -2 3 369.378 0.800 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001591989705 1285046101 /nfs/dbraw/zinc/04/61/01/1285046101.db2.gz YLQLBNXIDBDRFY-PSASIEDQSA-N -2 3 369.378 0.798 20 0 FCADHL Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001592013220 1285065614 /nfs/dbraw/zinc/06/56/14/1285065614.db2.gz MUGNPYBFOUXSOI-LBPRGKRZSA-N -2 3 360.374 0.729 20 0 FCADHL Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001592013220 1285065632 /nfs/dbraw/zinc/06/56/32/1285065632.db2.gz MUGNPYBFOUXSOI-LBPRGKRZSA-N -2 3 360.374 0.729 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2ccnn2C)c(-c2nn[n-]n2)cc1N(C)C ZINC001592054122 1285096954 /nfs/dbraw/zinc/09/69/54/1285096954.db2.gz QCWZRWATPFYEGP-UHFFFAOYSA-N -2 3 362.419 0.775 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1-c1nnn[n-]1 ZINC001592063988 1285101896 /nfs/dbraw/zinc/10/18/96/1285101896.db2.gz ORVCVWOVMBTNML-MFKMUULPSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1-c1nn[n-]n1 ZINC001592063988 1285101904 /nfs/dbraw/zinc/10/19/04/1285101904.db2.gz ORVCVWOVMBTNML-MFKMUULPSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001592066140 1285106266 /nfs/dbraw/zinc/10/62/66/1285106266.db2.gz SFMSFBGSTJNQDW-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592066140 1285106276 /nfs/dbraw/zinc/10/62/76/1285106276.db2.gz SFMSFBGSTJNQDW-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC001592108883 1285144116 /nfs/dbraw/zinc/14/41/16/1285144116.db2.gz HSAGKGBLJGPFSB-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC001592108883 1285144118 /nfs/dbraw/zinc/14/41/18/1285144118.db2.gz HSAGKGBLJGPFSB-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCc1ccc(C(=O)[O-])o1 ZINC001592110251 1285146431 /nfs/dbraw/zinc/14/64/31/1285146431.db2.gz ISNORIAFTGIXOD-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCc1ccc(C(=O)[O-])o1 ZINC001592110251 1285146436 /nfs/dbraw/zinc/14/64/36/1285146436.db2.gz ISNORIAFTGIXOD-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592192791 1285177119 /nfs/dbraw/zinc/17/71/19/1285177119.db2.gz QEPKWPQNRKPYHC-CDMKHQONSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592192791 1285177125 /nfs/dbraw/zinc/17/71/25/1285177125.db2.gz QEPKWPQNRKPYHC-CDMKHQONSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001592213855 1285185261 /nfs/dbraw/zinc/18/52/61/1285185261.db2.gz JWYZBGHFEWESDT-MNOVXSKESA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001592213855 1285185264 /nfs/dbraw/zinc/18/52/64/1285185264.db2.gz JWYZBGHFEWESDT-MNOVXSKESA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001592240225 1285195446 /nfs/dbraw/zinc/19/54/46/1285195446.db2.gz YPJQCZZNYLXUEN-DTWKUNHWSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001592240225 1285195456 /nfs/dbraw/zinc/19/54/56/1285195456.db2.gz YPJQCZZNYLXUEN-DTWKUNHWSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1nc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)ccc1-c1nn[n-]n1 ZINC001592349405 1285265585 /nfs/dbraw/zinc/26/55/85/1285265585.db2.gz OAPLPJLQANFDNX-UHFFFAOYSA-N -2 3 370.373 0.470 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1-c1nnn[n-]1 ZINC001592412284 1285329583 /nfs/dbraw/zinc/32/95/83/1285329583.db2.gz GYWKPJOOVYAJNY-AWEZNQCLSA-N -2 3 366.403 0.446 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001592412284 1285329595 /nfs/dbraw/zinc/32/95/95/1285329595.db2.gz GYWKPJOOVYAJNY-AWEZNQCLSA-N -2 3 366.403 0.446 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](CC2CCC2)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592413566 1285333385 /nfs/dbraw/zinc/33/33/85/1285333385.db2.gz LVHPDIYAXKIQND-LBPRGKRZSA-N -2 3 366.403 0.492 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](CC2CCC2)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592413566 1285333389 /nfs/dbraw/zinc/33/33/89/1285333389.db2.gz LVHPDIYAXKIQND-LBPRGKRZSA-N -2 3 366.403 0.492 20 0 FCADHL Cn1c2ccc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)cc2oc1=O ZINC001592546104 1285453233 /nfs/dbraw/zinc/45/32/33/1285453233.db2.gz JAWHZSDTSXLPJN-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL Cn1c2ccc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)cc2oc1=O ZINC001592546104 1285453234 /nfs/dbraw/zinc/45/32/34/1285453234.db2.gz JAWHZSDTSXLPJN-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL Cn1c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1-c1nnn[n-]1 ZINC001592549461 1285459878 /nfs/dbraw/zinc/45/98/78/1285459878.db2.gz DPBOLHMTLCBTRA-UHFFFAOYSA-N -2 3 372.410 0.813 20 0 FCADHL Cn1c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1-c1nn[n-]n1 ZINC001592549461 1285459887 /nfs/dbraw/zinc/45/98/87/1285459887.db2.gz DPBOLHMTLCBTRA-UHFFFAOYSA-N -2 3 372.410 0.813 20 0 FCADHL Cn1c(C(=O)[N-]S(=O)(=O)CCOC(C)(C)C)ccc1-c1nnn[n-]1 ZINC001592549459 1285461183 /nfs/dbraw/zinc/46/11/83/1285461183.db2.gz DMZRNMOCGPTOPR-UHFFFAOYSA-N -2 3 356.408 0.080 20 0 FCADHL Cn1c(C(=O)[N-]S(=O)(=O)CCOC(C)(C)C)ccc1-c1nn[n-]n1 ZINC001592549459 1285461186 /nfs/dbraw/zinc/46/11/86/1285461186.db2.gz DMZRNMOCGPTOPR-UHFFFAOYSA-N -2 3 356.408 0.080 20 0 FCADHL Cn1[n-]c(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1=O ZINC001592592202 1285525690 /nfs/dbraw/zinc/52/56/90/1285525690.db2.gz NRWBOQQYMWETMA-UHFFFAOYSA-N -2 3 369.385 0.989 20 0 FCADHL Cn1[n-]c(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1=O ZINC001592592202 1285525697 /nfs/dbraw/zinc/52/56/97/1285525697.db2.gz NRWBOQQYMWETMA-UHFFFAOYSA-N -2 3 369.385 0.989 20 0 FCADHL CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001604831595 1287793516 /nfs/dbraw/zinc/79/35/16/1287793516.db2.gz QBOUIYLCYYLUGU-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL Nc1c(-c2nnn[n-]2)cnn1C([O-])=C[S@](=O)c1ccc(Cl)cc1 ZINC001592753106 1285675561 /nfs/dbraw/zinc/67/55/61/1285675561.db2.gz KHNWMNYIUPNQGN-QHCPKHFHSA-N -2 3 351.779 0.747 20 0 FCADHL Nc1c(-c2nn[n-]n2)cnn1C([O-])=C[S@](=O)c1ccc(Cl)cc1 ZINC001592753106 1285675569 /nfs/dbraw/zinc/67/55/69/1285675569.db2.gz KHNWMNYIUPNQGN-QHCPKHFHSA-N -2 3 351.779 0.747 20 0 FCADHL CCn1nccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001609260072 1289023856 /nfs/dbraw/zinc/02/38/56/1289023856.db2.gz GVXSNPVYMPTAEX-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL CCn1nccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001609260072 1289023864 /nfs/dbraw/zinc/02/38/64/1289023864.db2.gz GVXSNPVYMPTAEX-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL O=C(C=Cc1ccc[nH]1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592796340 1285721374 /nfs/dbraw/zinc/72/13/74/1285721374.db2.gz ZAYQHCUAYJMWOA-FPLPWBNLSA-N -2 3 358.383 0.854 20 0 FCADHL O=C(C=Cc1ccc[nH]1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592796340 1285721380 /nfs/dbraw/zinc/72/13/80/1285721380.db2.gz ZAYQHCUAYJMWOA-FPLPWBNLSA-N -2 3 358.383 0.854 20 0 FCADHL O=C(CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001592867684 1285774819 /nfs/dbraw/zinc/77/48/19/1285774819.db2.gz OAWZDCLRRWIBIK-NSHDSACASA-N -2 3 369.389 0.509 20 0 FCADHL O=C(CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001592867684 1285774824 /nfs/dbraw/zinc/77/48/24/1285774824.db2.gz OAWZDCLRRWIBIK-NSHDSACASA-N -2 3 369.389 0.509 20 0 FCADHL O=C(Cn1cc(Cl)cn1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592937485 1285828985 /nfs/dbraw/zinc/82/89/85/1285828985.db2.gz FNIJUNGZLCDGCE-UHFFFAOYSA-N -2 3 367.778 0.222 20 0 FCADHL O=C(Cn1cc(Cl)cn1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592937485 1285828986 /nfs/dbraw/zinc/82/89/86/1285828986.db2.gz FNIJUNGZLCDGCE-UHFFFAOYSA-N -2 3 367.778 0.222 20 0 FCADHL O=C([O-])[C@@H]1CC12CCN(S(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC001593273931 1286057096 /nfs/dbraw/zinc/05/70/96/1286057096.db2.gz JHZQAJNDJOMORN-NSHDSACASA-N -2 3 363.399 0.742 20 0 FCADHL O=C([O-])[C@@H]1CC12CCN(S(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC001593273931 1286057102 /nfs/dbraw/zinc/05/71/02/1286057102.db2.gz JHZQAJNDJOMORN-NSHDSACASA-N -2 3 363.399 0.742 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593273500 1286057527 /nfs/dbraw/zinc/05/75/27/1286057527.db2.gz HSELXBWDFCOXLX-KWBADKCTSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593273500 1286057530 /nfs/dbraw/zinc/05/75/30/1286057530.db2.gz HSELXBWDFCOXLX-KWBADKCTSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CCC1 ZINC001593276463 1286059152 /nfs/dbraw/zinc/05/91/52/1286059152.db2.gz OQBUYLGPEHLUDO-LLVKDONJSA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CCC1 ZINC001593276463 1286059159 /nfs/dbraw/zinc/05/91/59/1286059159.db2.gz OQBUYLGPEHLUDO-LLVKDONJSA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001593275669 1286059251 /nfs/dbraw/zinc/05/92/51/1286059251.db2.gz DRSCRZSHZDIBFW-VIFPVBQESA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001593275978 1286059422 /nfs/dbraw/zinc/05/94/22/1286059422.db2.gz ZGHZVSZOXSDJGW-GXSJLCMTSA-N -2 3 367.362 0.455 20 0 FCADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001593276623 1286059829 /nfs/dbraw/zinc/05/98/29/1286059829.db2.gz QHQKVFYBGFVHGY-JOYOIKCWSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001593276623 1286059830 /nfs/dbraw/zinc/05/98/30/1286059830.db2.gz QHQKVFYBGFVHGY-JOYOIKCWSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001593278363 1286060307 /nfs/dbraw/zinc/06/03/07/1286060307.db2.gz AORUTLZCJUCXHE-UHFFFAOYSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001593278363 1286060311 /nfs/dbraw/zinc/06/03/11/1286060311.db2.gz AORUTLZCJUCXHE-UHFFFAOYSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593277787 1286060807 /nfs/dbraw/zinc/06/08/07/1286060807.db2.gz HTKINBLEABJNQQ-NSHDSACASA-N -2 3 369.378 0.775 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001593278969 1286062118 /nfs/dbraw/zinc/06/21/18/1286062118.db2.gz JENBGGIUCPVUKE-SECBINFHSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001593278969 1286062119 /nfs/dbraw/zinc/06/21/19/1286062119.db2.gz JENBGGIUCPVUKE-SECBINFHSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C[C@@H]21 ZINC001593278988 1286062148 /nfs/dbraw/zinc/06/21/48/1286062148.db2.gz KFZDUQMETBWZBC-MTBHXBHISA-N -2 3 371.325 0.096 20 0 FCADHL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C[C@@H]21 ZINC001593278988 1286062149 /nfs/dbraw/zinc/06/21/49/1286062149.db2.gz KFZDUQMETBWZBC-MTBHXBHISA-N -2 3 371.325 0.096 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001593279531 1286063340 /nfs/dbraw/zinc/06/33/40/1286063340.db2.gz PPPWNOXHQBDRPI-SVRRBLITSA-N -3 3 373.341 0.677 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001593279642 1286063422 /nfs/dbraw/zinc/06/34/22/1286063422.db2.gz VLXRBTBZLVTHFO-KCJUWKMLSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001593279642 1286063423 /nfs/dbraw/zinc/06/34/23/1286063423.db2.gz VLXRBTBZLVTHFO-KCJUWKMLSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([N-]CC1CN(C(=O)c2cc(-c3nn[n-]n3)ccc2F)C1)C(F)(F)F ZINC001593323665 1286075150 /nfs/dbraw/zinc/07/51/50/1286075150.db2.gz FUBVOTPPVPCONT-UHFFFAOYSA-N -2 3 372.282 0.756 20 0 FCADHL O=C([N-][C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O)C(F)(F)F ZINC001593377828 1286096182 /nfs/dbraw/zinc/09/61/82/1286096182.db2.gz FGIPMQGOKZOBOM-SNVBAGLBSA-N -2 3 354.292 0.646 20 0 FCADHL O=S(=O)(N=S1(=O)CCCC1)[N-]c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001593429094 1286151018 /nfs/dbraw/zinc/15/10/18/1286151018.db2.gz NFGLSKQNWSMBTD-UHFFFAOYSA-N -2 3 360.396 0.924 20 0 FCADHL O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1)c1cncc(-c2nnn[n-]2)c1 ZINC001593444982 1286159888 /nfs/dbraw/zinc/15/98/88/1286159888.db2.gz XTZRFMRJUIXTAC-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1)c1cncc(-c2nn[n-]n2)c1 ZINC001593444982 1286159890 /nfs/dbraw/zinc/15/98/90/1286159890.db2.gz XTZRFMRJUIXTAC-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL COC(=O)CN(CC(=O)[O-])C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001598861818 1286407972 /nfs/dbraw/zinc/40/79/72/1286407972.db2.gz QRKGXXIFZIQBIW-UHFFFAOYSA-N -2 3 352.730 0.881 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCN([C@@H]3CCCN(CCC(=O)[O-])C3=O)CC2)n1 ZINC001600064991 1286434850 /nfs/dbraw/zinc/43/48/50/1286434850.db2.gz LSYBQMGGGMSUOO-CYBMUJFWSA-N -2 3 363.418 0.078 20 0 FCADHL Cc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[n-]c2=O)c(C)c1 ZINC001600437996 1286485806 /nfs/dbraw/zinc/48/58/06/1286485806.db2.gz DKYANXGRQGRBIC-JTQLQIEISA-N -3 3 351.359 0.923 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(O)cc2)C(=O)[O-])nn1 ZINC001600480739 1286494810 /nfs/dbraw/zinc/49/48/10/1286494810.db2.gz DYZLXSXRICKZMD-GFCCVEGCSA-N -2 3 351.384 0.712 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](C)NC(=O)OC(C)(C)C)c1C(=O)[O-] ZINC001600672737 1286524101 /nfs/dbraw/zinc/52/41/01/1286524101.db2.gz IPXRFXRZOLSUMK-ZETCQYMHSA-N -2 3 362.408 0.608 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC[S@](=O)Cc2ccccc2)c1C(=O)[O-] ZINC001600673476 1286524667 /nfs/dbraw/zinc/52/46/67/1286524667.db2.gz FOYXFNYIBVDUAE-QHCPKHFHSA-N -2 3 371.440 0.644 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC=CCNC(=O)OC(C)(C)C)c1C(=O)[O-] ZINC001600673651 1286524866 /nfs/dbraw/zinc/52/48/66/1286524866.db2.gz LEWRWZNZNFCJSD-WAYWQWQTSA-N -2 3 374.419 0.776 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CO)CCc2ccccc2)c1C(=O)[O-] ZINC001600674957 1286526509 /nfs/dbraw/zinc/52/65/09/1286526509.db2.gz UJJMVPHVDAZLBG-GFCCVEGCSA-N -2 3 353.400 0.688 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001600810066 1286549668 /nfs/dbraw/zinc/54/96/68/1286549668.db2.gz TUONPPNDZADKSC-CQSZACIVSA-N -2 3 359.404 0.283 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CCC(C)(C)S(C)(=O)=O)cc1C(=O)[O-] ZINC001600858033 1286558619 /nfs/dbraw/zinc/55/86/19/1286558619.db2.gz RLFLORWWRGCWQU-UHFFFAOYSA-N -2 3 353.418 0.778 20 0 FCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001600891529 1286562494 /nfs/dbraw/zinc/56/24/94/1286562494.db2.gz VYXWCUDLNVRQHX-QGZVFWFLSA-N -2 3 360.370 0.772 20 0 FCADHL Cn1cc([C@]2(C[N-]S(=O)(=O)c3occc3C(=O)[O-])CCCO2)cn1 ZINC001600943643 1286576823 /nfs/dbraw/zinc/57/68/23/1286576823.db2.gz CEKQLDGZOIWDSQ-CQSZACIVSA-N -2 3 355.372 0.696 20 0 FCADHL Cn1cc(S(=O)(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1C(=O)[O-] ZINC001600968721 1286585117 /nfs/dbraw/zinc/58/51/17/1286585117.db2.gz WAFGAZAJZKPAGY-UHFFFAOYSA-N -2 3 352.372 0.575 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C2CC2)c(Br)n1 ZINC001600968786 1286585190 /nfs/dbraw/zinc/58/51/90/1286585190.db2.gz BDIWFKOWLCZREU-QMMMGPOBSA-N -2 3 366.237 0.962 20 0 FCADHL Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001601032271 1286610189 /nfs/dbraw/zinc/61/01/89/1286610189.db2.gz ZLKHYTDLLVWFRR-MRVPVSSYSA-N -2 3 361.326 0.408 20 0 FCADHL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)[C@@H]2C1 ZINC001601442438 1286750528 /nfs/dbraw/zinc/75/05/28/1286750528.db2.gz CXMYXUNQVRNRFT-LBELIVKGSA-N -2 3 361.402 0.559 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCNC(=O)c1ccccc1F ZINC001601511590 1286774686 /nfs/dbraw/zinc/77/46/86/1286774686.db2.gz PKKAAVWDKTXASQ-UHFFFAOYSA-N -2 3 373.387 0.689 20 0 FCADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)[C@@H]1CCOC1 ZINC001601655876 1286801680 /nfs/dbraw/zinc/80/16/80/1286801680.db2.gz VJSUKNVTGWJEBO-VXNVDRBHSA-N -2 3 352.771 0.890 20 0 FCADHL O=C([O-])[C@H]1CC12CCN(C(=O)N[C@H]1CCN(c3cc(=O)[n-]cn3)C1)CC2 ZINC001601771151 1286832404 /nfs/dbraw/zinc/83/24/04/1286832404.db2.gz FQBMTCRCGLGKDH-NWDGAFQWSA-N -2 3 361.402 0.657 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@@H]([C@@H]2CCCO2)C1 ZINC001601825507 1286843760 /nfs/dbraw/zinc/84/37/60/1286843760.db2.gz YPWGQJHRRZPVRJ-HONMWMINSA-N -2 3 372.385 0.746 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@@H]([C@@H]2CCCO2)C1 ZINC001601825507 1286843770 /nfs/dbraw/zinc/84/37/70/1286843770.db2.gz YPWGQJHRRZPVRJ-HONMWMINSA-N -2 3 372.385 0.746 20 0 FCADHL O=C([O-])CCNC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001602020069 1286903461 /nfs/dbraw/zinc/90/34/61/1286903461.db2.gz WNENZFYZEPIKLV-UHFFFAOYSA-N -2 3 370.214 0.648 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001609339530 1289110490 /nfs/dbraw/zinc/11/04/90/1289110490.db2.gz WHIKPBOGZLIHOP-SNVBAGLBSA-N -2 3 369.403 0.653 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001609339530 1289110493 /nfs/dbraw/zinc/11/04/93/1289110493.db2.gz WHIKPBOGZLIHOP-SNVBAGLBSA-N -2 3 369.403 0.653 20 0 FCADHL O=C([O-])COCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001602078955 1286930496 /nfs/dbraw/zinc/93/04/96/1286930496.db2.gz QKSJMOPKCOSXLA-UHFFFAOYSA-N -2 3 355.313 0.188 20 0 FCADHL O=C([O-])Cc1ccc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001602119385 1286941374 /nfs/dbraw/zinc/94/13/74/1286941374.db2.gz RPGMNNTYPBDHFD-CQSZACIVSA-N -2 3 371.397 0.887 20 0 FCADHL O=C([O-])Cc1ccc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)cc1F ZINC001602131741 1286943895 /nfs/dbraw/zinc/94/38/95/1286943895.db2.gz KPNGZSKHGRUBGF-UHFFFAOYSA-N -2 3 367.358 0.695 20 0 FCADHL O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)C1 ZINC001602220077 1286971676 /nfs/dbraw/zinc/97/16/76/1286971676.db2.gz NJDXJCLPUHEUJY-QDMLRJGXSA-N -2 3 355.416 0.991 20 0 FCADHL O=C([O-])c1ccc(N2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)nn1 ZINC001602373306 1286992014 /nfs/dbraw/zinc/99/20/14/1286992014.db2.gz YTSGTCFVFMPTHZ-UHFFFAOYSA-N -2 3 372.337 0.572 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001602396955 1286995979 /nfs/dbraw/zinc/99/59/79/1286995979.db2.gz FVMYIAFIBJCPKB-NSHDSACASA-N -2 3 364.383 0.438 20 0 FCADHL O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1n[n-]nc1C(=O)NC1CC1)C2 ZINC001602420930 1286999884 /nfs/dbraw/zinc/99/98/84/1286999884.db2.gz XNLYECRALFIKEH-UHFFFAOYSA-N -2 3 356.342 0.943 20 0 FCADHL O=C([O-])c1ccsc1N1CC[C@H]([N-]S(=O)(=O)c2cscn2)C1=O ZINC001602490162 1287010001 /nfs/dbraw/zinc/01/00/01/1287010001.db2.gz KYIQVTXSESNONE-QMMMGPOBSA-N -2 3 373.437 0.987 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1(c2ncccn2)CCOCC1 ZINC001602489327 1287010214 /nfs/dbraw/zinc/01/02/14/1287010214.db2.gz ZSRUYJSFZKMKAF-UHFFFAOYSA-N -2 3 353.356 0.752 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1=O ZINC001602488063 1287010632 /nfs/dbraw/zinc/01/06/32/1287010632.db2.gz BNSYUMBIUAEMRH-ZETCQYMHSA-N -2 3 356.278 0.419 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1(O)CCC2(CC1)OCCO2 ZINC001602488210 1287011224 /nfs/dbraw/zinc/01/12/24/1287011224.db2.gz FBXJNRDBDNXWPH-UHFFFAOYSA-N -2 3 361.372 0.304 20 0 FCADHL COc1ccsc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609364848 1289118880 /nfs/dbraw/zinc/11/88/80/1289118880.db2.gz QBXIWIHBFOXVSS-UHFFFAOYSA-N -2 3 366.384 0.451 20 0 FCADHL COc1ccsc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609364848 1289118883 /nfs/dbraw/zinc/11/88/83/1289118883.db2.gz QBXIWIHBFOXVSS-UHFFFAOYSA-N -2 3 366.384 0.451 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC001602506641 1287016943 /nfs/dbraw/zinc/01/69/43/1287016943.db2.gz ISTRRKLEZOWFHV-HQJQHLMTSA-N -2 3 371.337 0.870 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001602506602 1287017282 /nfs/dbraw/zinc/01/72/82/1287017282.db2.gz GNPFCQATDIVKOE-SNVBAGLBSA-N -2 3 371.419 0.066 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001602506812 1287019339 /nfs/dbraw/zinc/01/93/39/1287019339.db2.gz SJOPUSPLDZMIPK-JTQLQIEISA-N -2 3 356.404 0.177 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC001602556208 1287024973 /nfs/dbraw/zinc/02/49/73/1287024973.db2.gz CWZAMSMQPPFYQY-UQPYNNQESA-N -2 3 363.413 0.612 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC001602556052 1287026234 /nfs/dbraw/zinc/02/62/34/1287026234.db2.gz CLJJALWBQWBQLU-MRVPVSSYSA-N -2 3 370.305 0.809 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1Cc2ccccc2NC1=O ZINC001602583544 1287030539 /nfs/dbraw/zinc/03/05/39/1287030539.db2.gz VMZMJXWYXDRUPU-VIFPVBQESA-N -2 3 353.381 0.683 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CCCN1CC(F)F ZINC001602589293 1287034363 /nfs/dbraw/zinc/03/43/63/1287034363.db2.gz YBJOVPPZZAQUKX-SSDOTTSWSA-N -2 3 355.388 0.849 20 0 FCADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@H]2CNC(=O)C2)s1 ZINC001602636875 1287043582 /nfs/dbraw/zinc/04/35/82/1287043582.db2.gz UGVSOBWXYUVXPF-SCSAIBSYSA-N -2 3 369.218 0.376 20 0 FCADHL C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609375903 1289128263 /nfs/dbraw/zinc/12/82/63/1289128263.db2.gz YARRKFJHPNASEN-LLVKDONJSA-N -2 3 372.410 0.945 20 0 FCADHL C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609375903 1289128266 /nfs/dbraw/zinc/12/82/66/1289128266.db2.gz YARRKFJHPNASEN-LLVKDONJSA-N -2 3 372.410 0.945 20 0 FCADHL CC(C)(C(=O)[O-])n1cc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001603048968 1287197269 /nfs/dbraw/zinc/19/72/69/1287197269.db2.gz XVHQLUSUIXHPKK-UHFFFAOYSA-N -2 3 371.357 0.900 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001609389043 1289133444 /nfs/dbraw/zinc/13/34/44/1289133444.db2.gz JPXXPKBHJOXAAB-QMMMGPOBSA-N -2 3 361.330 0.562 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001609389043 1289133448 /nfs/dbraw/zinc/13/34/48/1289133448.db2.gz JPXXPKBHJOXAAB-QMMMGPOBSA-N -2 3 361.330 0.562 20 0 FCADHL CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001605030554 1287841188 /nfs/dbraw/zinc/84/11/88/1287841188.db2.gz NBSLMSBSJKMVPB-OLZOCXBDSA-N -2 3 365.415 0.877 20 0 FCADHL CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001605030554 1287841192 /nfs/dbraw/zinc/84/11/92/1287841192.db2.gz NBSLMSBSJKMVPB-OLZOCXBDSA-N -2 3 365.415 0.877 20 0 FCADHL CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001605030885 1287841573 /nfs/dbraw/zinc/84/15/73/1287841573.db2.gz QEVNUNWZOYMXHY-VXGBXAGGSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001605030885 1287841576 /nfs/dbraw/zinc/84/15/76/1287841576.db2.gz QEVNUNWZOYMXHY-VXGBXAGGSA-N -2 3 366.403 0.272 20 0 FCADHL COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001605047917 1287855151 /nfs/dbraw/zinc/85/51/51/1287855151.db2.gz GXCZWOGZOCVQGP-MNOVXSKESA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001605047917 1287855157 /nfs/dbraw/zinc/85/51/57/1287855157.db2.gz GXCZWOGZOCVQGP-MNOVXSKESA-N -2 3 367.431 0.731 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)C(=O)[N-]OC/C=C\Cl ZINC001605169572 1287900029 /nfs/dbraw/zinc/90/00/29/1287900029.db2.gz LODVZDWLJGTRMS-DJWKRKHSSA-N -2 3 352.738 0.614 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)C(=O)[N-]OC/C=C\Cl ZINC001605169572 1287900035 /nfs/dbraw/zinc/90/00/35/1287900035.db2.gz LODVZDWLJGTRMS-DJWKRKHSSA-N -2 3 352.738 0.614 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001605247508 1287914811 /nfs/dbraw/zinc/91/48/11/1287914811.db2.gz XYKDYZUEEXCAFK-LLVKDONJSA-N -2 3 362.346 0.039 20 0 FCADHL CS(=O)(=O)C1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001605353131 1287933188 /nfs/dbraw/zinc/93/31/88/1287933188.db2.gz ZWPUHPPEGCFLHE-UHFFFAOYSA-N -2 3 351.388 0.634 20 0 FCADHL CS(=O)(=O)C1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001605353131 1287933197 /nfs/dbraw/zinc/93/31/97/1287933197.db2.gz ZWPUHPPEGCFLHE-UHFFFAOYSA-N -2 3 351.388 0.634 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-] ZINC001609416907 1289143161 /nfs/dbraw/zinc/14/31/61/1289143161.db2.gz VISUUVSAERHPSQ-SECBINFHSA-N -2 3 355.401 0.323 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC001605545885 1287994443 /nfs/dbraw/zinc/99/44/43/1287994443.db2.gz LXJZMPQXYMCHFT-SKDRFNHKSA-N -2 3 367.387 0.038 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC001605545885 1287994451 /nfs/dbraw/zinc/99/44/51/1287994451.db2.gz LXJZMPQXYMCHFT-SKDRFNHKSA-N -2 3 367.387 0.038 20 0 FCADHL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609430422 1289147249 /nfs/dbraw/zinc/14/72/49/1289147249.db2.gz URWPCWIBESOEFF-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609430422 1289147251 /nfs/dbraw/zinc/14/72/51/1289147251.db2.gz URWPCWIBESOEFF-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001605679127 1288050572 /nfs/dbraw/zinc/05/05/72/1288050572.db2.gz REIMWHLXJYPMME-RDDDGLTNSA-N -2 3 369.378 0.798 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2cnn3c2OCCC3)cc(-c2nnn[n-]2)c1 ZINC001605739300 1288068341 /nfs/dbraw/zinc/06/83/41/1288068341.db2.gz VFKVWIMONXRWEF-UHFFFAOYSA-N -2 3 361.387 0.955 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2cnn3c2OCCC3)cc(-c2nn[n-]n2)c1 ZINC001605739300 1288068342 /nfs/dbraw/zinc/06/83/42/1288068342.db2.gz VFKVWIMONXRWEF-UHFFFAOYSA-N -2 3 361.387 0.955 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c1-c1nnn[n-]1 ZINC001605918560 1288104426 /nfs/dbraw/zinc/10/44/26/1288104426.db2.gz KLGPMNIYGNTILA-UHFFFAOYSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c1-c1nn[n-]n1 ZINC001605918560 1288104431 /nfs/dbraw/zinc/10/44/31/1288104431.db2.gz KLGPMNIYGNTILA-UHFFFAOYSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1[nH]nc(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1-c1nnn[n-]1 ZINC001606014150 1288129609 /nfs/dbraw/zinc/12/96/09/1288129609.db2.gz BSVHFXXHNNRLSK-ZETCQYMHSA-N -2 3 360.300 0.540 20 0 FCADHL Cc1[nH]nc(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1-c1nn[n-]n1 ZINC001606014150 1288129613 /nfs/dbraw/zinc/12/96/13/1288129613.db2.gz BSVHFXXHNNRLSK-ZETCQYMHSA-N -2 3 360.300 0.540 20 0 FCADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3cnc(C)c(-c4nnn[n-]4)c3)cc12 ZINC001606091506 1288160633 /nfs/dbraw/zinc/16/06/33/1288160633.db2.gz KDRZWTQJBRPDLK-UHFFFAOYSA-N -2 3 371.386 0.951 20 0 FCADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3cnc(C)c(-c4nn[n-]n4)c3)cc12 ZINC001606091506 1288160634 /nfs/dbraw/zinc/16/06/34/1288160634.db2.gz KDRZWTQJBRPDLK-UHFFFAOYSA-N -2 3 371.386 0.951 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001606131462 1288176791 /nfs/dbraw/zinc/17/67/91/1288176791.db2.gz ALDXYEUPYINUKX-UHFFFAOYSA-N -2 3 362.371 0.519 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606131462 1288176795 /nfs/dbraw/zinc/17/67/95/1288176795.db2.gz ALDXYEUPYINUKX-UHFFFAOYSA-N -2 3 362.371 0.519 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])cc1-c1nnn[n-]1 ZINC001609456674 1289160819 /nfs/dbraw/zinc/16/08/19/1289160819.db2.gz YSIPRKTUXXJWFR-QMMMGPOBSA-N -2 3 354.392 0.492 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])cc1-c1nn[n-]n1 ZINC001609456674 1289160824 /nfs/dbraw/zinc/16/08/24/1289160824.db2.gz YSIPRKTUXXJWFR-QMMMGPOBSA-N -2 3 354.392 0.492 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001609456245 1289161123 /nfs/dbraw/zinc/16/11/23/1289161123.db2.gz HPJBUHLMKRZZDZ-SMDDNHRTSA-N -2 3 366.403 0.492 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001609456245 1289161129 /nfs/dbraw/zinc/16/11/29/1289161129.db2.gz HPJBUHLMKRZZDZ-SMDDNHRTSA-N -2 3 366.403 0.492 20 0 FCADHL Cn1[n-]c(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cc1=O ZINC001606266894 1288244010 /nfs/dbraw/zinc/24/40/10/1288244010.db2.gz PITUSDPPWDFTAD-UHFFFAOYSA-N -2 3 365.357 0.626 20 0 FCADHL Cn1[n-]c(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cc1=O ZINC001606266894 1288244011 /nfs/dbraw/zinc/24/40/11/1288244011.db2.gz PITUSDPPWDFTAD-UHFFFAOYSA-N -2 3 365.357 0.626 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC001606342529 1288264359 /nfs/dbraw/zinc/26/43/59/1288264359.db2.gz NZYBKYZZCAMBMI-GMXVVIOVSA-N -2 3 351.421 0.517 20 0 FCADHL COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1nnc2ccccc2c1[O-] ZINC001606384988 1288281593 /nfs/dbraw/zinc/28/15/93/1288281593.db2.gz HIQRSUPXUMMLLK-JOYOIKCWSA-N -2 3 359.338 0.814 20 0 FCADHL Cn1c([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)nc2cccnc21 ZINC001609476928 1289170855 /nfs/dbraw/zinc/17/08/55/1289170855.db2.gz JGJATINPOZIWCC-UHFFFAOYSA-N -2 3 357.359 0.344 20 0 FCADHL Cn1c([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)nc2cccnc21 ZINC001609476928 1289170858 /nfs/dbraw/zinc/17/08/58/1289170858.db2.gz JGJATINPOZIWCC-UHFFFAOYSA-N -2 3 357.359 0.344 20 0 FCADHL O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001606503026 1288347469 /nfs/dbraw/zinc/34/74/69/1288347469.db2.gz ZDLZWMVZJVTTKS-LBPRGKRZSA-N -2 3 351.388 0.382 20 0 FCADHL O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001606503026 1288347474 /nfs/dbraw/zinc/34/74/74/1288347474.db2.gz ZDLZWMVZJVTTKS-LBPRGKRZSA-N -2 3 351.388 0.382 20 0 FCADHL COC(=O)[C@@H]1[C@H](C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C1(F)F ZINC001606514737 1288355975 /nfs/dbraw/zinc/35/59/75/1288355975.db2.gz TXRVLAVMVNHPPG-XPUUQOCRSA-N -2 3 353.299 0.619 20 0 FCADHL CO[C@H](C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])Cc1ccccc1 ZINC001606679316 1288436391 /nfs/dbraw/zinc/43/63/91/1288436391.db2.gz DFADBXMLVWUVCG-LBPRGKRZSA-N -2 3 353.400 0.952 20 0 FCADHL O=C(NCCc1n[n-]c(=S)o1)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001606802044 1288523893 /nfs/dbraw/zinc/52/38/93/1288523893.db2.gz KZKYCNWKVBVAFX-UHFFFAOYSA-N -2 3 356.371 0.992 20 0 FCADHL O=C(NCCc1n[n-]c(=S)o1)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001606802044 1288523894 /nfs/dbraw/zinc/52/38/94/1288523894.db2.gz KZKYCNWKVBVAFX-UHFFFAOYSA-N -2 3 356.371 0.992 20 0 FCADHL O=C([N-]S(=O)(=O)CC1CC1)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001606863789 1288542495 /nfs/dbraw/zinc/54/24/95/1288542495.db2.gz QNNXDCLSIYTSSA-UHFFFAOYSA-N -2 3 365.390 0.893 20 0 FCADHL O=C([N-]S(=O)(=O)CC1CC1)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001606863789 1288542496 /nfs/dbraw/zinc/54/24/96/1288542496.db2.gz QNNXDCLSIYTSSA-UHFFFAOYSA-N -2 3 365.390 0.893 20 0 FCADHL O=C([O-])CN(CC1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001606958635 1288574436 /nfs/dbraw/zinc/57/44/36/1288574436.db2.gz ZIVQYPQJSLZAAE-UHFFFAOYSA-N -2 3 355.351 0.491 20 0 FCADHL O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001606960017 1288575472 /nfs/dbraw/zinc/57/54/72/1288575472.db2.gz OHFJUAGIIGCLTQ-SECBINFHSA-N -2 3 361.330 0.395 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC001606959968 1288575495 /nfs/dbraw/zinc/57/54/95/1288575495.db2.gz NXSGHJBTGPNOJZ-CPFSXVBKSA-N -2 3 369.790 0.615 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC001606959968 1288575496 /nfs/dbraw/zinc/57/54/96/1288575496.db2.gz NXSGHJBTGPNOJZ-CPFSXVBKSA-N -2 3 369.790 0.615 20 0 FCADHL O=C([O-])C1(C(=O)N2CCN(c3ccsc3-c3nnn[n-]3)CC2)CC=CC1 ZINC001606959724 1288575501 /nfs/dbraw/zinc/57/55/01/1288575501.db2.gz MCAYJZWZBNGOQC-UHFFFAOYSA-N -2 3 374.426 0.998 20 0 FCADHL O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001606960120 1288576679 /nfs/dbraw/zinc/57/66/79/1288576679.db2.gz GVFFXYZHTFYPSC-QMMMGPOBSA-N -2 3 355.351 0.491 20 0 FCADHL O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001607055957 1288626806 /nfs/dbraw/zinc/62/68/06/1288626806.db2.gz GTSLOOKLVOSNBU-UHFFFAOYSA-N -2 3 374.357 0.855 20 0 FCADHL O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001607055957 1288626807 /nfs/dbraw/zinc/62/68/07/1288626807.db2.gz GTSLOOKLVOSNBU-UHFFFAOYSA-N -2 3 374.357 0.855 20 0 FCADHL COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC001607225227 1288687093 /nfs/dbraw/zinc/68/70/93/1288687093.db2.gz WKCSZBIDOCTFPT-LLVKDONJSA-N -2 3 369.399 0.479 20 0 FCADHL Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3occc3C(=O)[O-])C2)n(C)n1 ZINC001607669875 1288731297 /nfs/dbraw/zinc/73/12/97/1288731297.db2.gz RQIWBXAKOIQRQQ-LLVKDONJSA-N -2 3 368.415 0.967 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2CCN(C(=O)C3CC3)CC2)c1C(=O)[O-] ZINC001607940389 1288750182 /nfs/dbraw/zinc/75/01/82/1288750182.db2.gz PYSJMHOWIZMEAC-UHFFFAOYSA-N -2 3 356.404 0.096 20 0 FCADHL Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NOCCCC(=O)[O-] ZINC001607962067 1288753014 /nfs/dbraw/zinc/75/30/14/1288753014.db2.gz NQAGIXHVPYFZNM-UHFFFAOYSA-N -2 3 368.390 0.172 20 0 FCADHL Cn1nc(C(=O)[O-])cc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001608143215 1288780574 /nfs/dbraw/zinc/78/05/74/1288780574.db2.gz NNAYDYDIMSHVSF-UHFFFAOYSA-N -2 3 373.369 0.814 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCNC(=O)Cc2cccc(F)c2)c1 ZINC001608365200 1288830637 /nfs/dbraw/zinc/83/06/37/1288830637.db2.gz MAWYMMPPVGIRDS-UHFFFAOYSA-N -2 3 370.358 0.754 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCNC(=O)C2CC2)c(F)cc1Cl ZINC001608861600 1288877200 /nfs/dbraw/zinc/87/72/00/1288877200.db2.gz CVOKMNYXRMJNQU-UHFFFAOYSA-N -2 3 364.782 0.982 20 0 FCADHL O=C([O-])C12CC(C1)CN2C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001609028585 1288883345 /nfs/dbraw/zinc/88/33/45/1288883345.db2.gz XMLVOPNRZIMVEY-UHFFFAOYSA-N -2 3 368.386 0.956 20 0 FCADHL O=C([O-])C(F)=C(Nc1ccc(Cl)cc1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001609043710 1288886926 /nfs/dbraw/zinc/88/69/26/1288886926.db2.gz FHJDEBCSDHXQLM-QMMMGPOBSA-N -3 3 357.750 0.960 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001609069752 1288899600 /nfs/dbraw/zinc/89/96/00/1288899600.db2.gz DXGKOUBDQWYRQR-VIFPVBQESA-N -2 3 361.387 0.209 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001609069752 1288899608 /nfs/dbraw/zinc/89/96/08/1288899608.db2.gz DXGKOUBDQWYRQR-VIFPVBQESA-N -2 3 361.387 0.209 20 0 FCADHL C[C@@H](CCNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C(=O)[O-] ZINC001609111369 1288926787 /nfs/dbraw/zinc/92/67/87/1288926787.db2.gz QENFSEWIEGSAGX-ZETCQYMHSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H](C)C(=O)[O-] ZINC001609125527 1288932138 /nfs/dbraw/zinc/93/21/38/1288932138.db2.gz DLFOKEUXMRZZMZ-NTSWFWBYSA-N -3 3 361.330 0.532 20 0 FCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]OC1CCC1 ZINC001609125622 1288934834 /nfs/dbraw/zinc/93/48/34/1288934834.db2.gz ISNIGJPFNVUDMX-VIFPVBQESA-N -2 3 366.403 0.134 20 0 FCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]OC1CCC1 ZINC001609125622 1288934839 /nfs/dbraw/zinc/93/48/39/1288934839.db2.gz ISNIGJPFNVUDMX-VIFPVBQESA-N -2 3 366.403 0.134 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCCOC1 ZINC001609142665 1288944845 /nfs/dbraw/zinc/94/48/45/1288944845.db2.gz HUPTVHBUHSOMSJ-AWEZNQCLSA-N -2 3 351.388 0.488 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCCOC1 ZINC001609142665 1288944848 /nfs/dbraw/zinc/94/48/48/1288944848.db2.gz HUPTVHBUHSOMSJ-AWEZNQCLSA-N -2 3 351.388 0.488 20 0 FCADHL CC1(C)COC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609147112 1288948656 /nfs/dbraw/zinc/94/86/56/1288948656.db2.gz LCICHZUFWBYMJS-SNVBAGLBSA-N -2 3 359.358 0.848 20 0 FCADHL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001609161354 1288960152 /nfs/dbraw/zinc/96/01/52/1288960152.db2.gz SVOYNLXGFVVVLE-NXEZZACHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001609161354 1288960156 /nfs/dbraw/zinc/96/01/56/1288960156.db2.gz SVOYNLXGFVVVLE-NXEZZACHSA-N -2 3 350.404 0.893 20 0 FCADHL CC[C@@H](C)CO[N-]C(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609184460 1288974906 /nfs/dbraw/zinc/97/49/06/1288974906.db2.gz BFBRVWZYWHSKQH-SNVBAGLBSA-N -2 3 368.419 0.239 20 0 FCADHL CC[C@@H](C)CO[N-]C(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609184460 1288974914 /nfs/dbraw/zinc/97/49/14/1288974914.db2.gz BFBRVWZYWHSKQH-SNVBAGLBSA-N -2 3 368.419 0.239 20 0 FCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001609531865 1289199821 /nfs/dbraw/zinc/19/98/21/1289199821.db2.gz WZOFTCBHCMTLGT-NSHDSACASA-N -2 3 370.373 0.475 20 0 FCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001609531865 1289199824 /nfs/dbraw/zinc/19/98/24/1289199824.db2.gz WZOFTCBHCMTLGT-NSHDSACASA-N -2 3 370.373 0.475 20 0 FCADHL O=C([N-]OCCC(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609559815 1289223543 /nfs/dbraw/zinc/22/35/43/1289223543.db2.gz GPUOZOSXBKETSA-UHFFFAOYSA-N -2 3 362.243 0.945 20 0 FCADHL O=C([N-]OCCC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609559815 1289223547 /nfs/dbraw/zinc/22/35/47/1289223547.db2.gz GPUOZOSXBKETSA-UHFFFAOYSA-N -2 3 362.243 0.945 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@H]1CC1(Cl)Cl ZINC001609560538 1289225800 /nfs/dbraw/zinc/22/58/00/1289225800.db2.gz UJARPNKOBMPXDG-SSDOTTSWSA-N -2 3 363.186 0.260 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@H]1CC1(Cl)Cl ZINC001609560538 1289225805 /nfs/dbraw/zinc/22/58/05/1289225805.db2.gz UJARPNKOBMPXDG-SSDOTTSWSA-N -2 3 363.186 0.260 20 0 FCADHL O=C([O-])CN(CC(F)(F)F)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609571722 1289234950 /nfs/dbraw/zinc/23/49/50/1289234950.db2.gz BBIOZALVBGNIIN-UHFFFAOYSA-N -2 3 365.293 0.504 20 0 FCADHL O=C([O-])CN(CC(F)(F)F)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609571722 1289234956 /nfs/dbraw/zinc/23/49/56/1289234956.db2.gz BBIOZALVBGNIIN-UHFFFAOYSA-N -2 3 365.293 0.504 20 0 FCADHL O=C([O-])CCN(C1CCCC1)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609572008 1289235167 /nfs/dbraw/zinc/23/51/67/1289235167.db2.gz IFXSEQHRKCAALD-UHFFFAOYSA-N -2 3 366.403 0.670 20 0 FCADHL O=C([O-])CCN(C1CCCC1)S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609572008 1289235170 /nfs/dbraw/zinc/23/51/70/1289235170.db2.gz IFXSEQHRKCAALD-UHFFFAOYSA-N -2 3 366.403 0.670 20 0 FCADHL CC(C)C[C@H](NC(=O)COC(=O)c1cc(F)cc2[n-]nnc21)C(=O)[O-] ZINC001609693994 1289280579 /nfs/dbraw/zinc/28/05/79/1289280579.db2.gz KLLKKPOLZQRUPC-NSHDSACASA-N -2 3 352.322 0.869 20 0 FCADHL CC(C)C[C@H](NC(=O)COC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001609693994 1289280583 /nfs/dbraw/zinc/28/05/83/1289280583.db2.gz KLLKKPOLZQRUPC-NSHDSACASA-N -2 3 352.322 0.869 20 0 FCADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)(C(=O)[O-])C1(C)C ZINC001610030363 1289351783 /nfs/dbraw/zinc/35/17/83/1289351783.db2.gz JMCJUAQLLIOCNY-XPTSAGLGSA-N -3 3 361.372 0.915 20 0 FCADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])[C@H]1n1cccn1 ZINC001610030403 1289352600 /nfs/dbraw/zinc/35/26/00/1289352600.db2.gz KICQQDGITRPZAJ-YGOYTEALSA-N -2 3 372.428 0.735 20 0 FCADHL CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1(C)C ZINC001610030034 1289352816 /nfs/dbraw/zinc/35/28/16/1289352816.db2.gz YDGOQFSOPIAKEP-OQPBUACISA-N -2 3 364.445 0.686 20 0 FCADHL CNC(=O)c1cccc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC001610144386 1289397288 /nfs/dbraw/zinc/39/72/88/1289397288.db2.gz UMMOFALNXNSVLT-UHFFFAOYSA-N -2 3 369.424 0.722 20 0 FCADHL Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)C2=O)n(C)n1 ZINC001610469192 1289490233 /nfs/dbraw/zinc/49/02/33/1289490233.db2.gz JAWVZZIJWIKJAP-SNVBAGLBSA-N -2 3 368.371 0.104 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2cccc(C(=O)N(C)C)c2)c1C(=O)[O-] ZINC001610550029 1289506912 /nfs/dbraw/zinc/50/69/12/1289506912.db2.gz UUDOERRYQWLTDT-UHFFFAOYSA-N -2 3 366.399 0.597 20 0 FCADHL Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)C2=O)n1 ZINC001610608911 1289526972 /nfs/dbraw/zinc/52/69/72/1289526972.db2.gz VSPDDGXFWSIOFX-JTQLQIEISA-N -2 3 368.371 0.185 20 0 FCADHL O=C([O-])C1(O)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC001610651701 1289542640 /nfs/dbraw/zinc/54/26/40/1289542640.db2.gz PMZIKUFQOSGJFN-CYBMUJFWSA-N -2 3 362.382 0.435 20 0 FCADHL O=C([O-])C[C@]1([N-]S(=O)(=O)c2ccc(Br)cn2)CCOC1 ZINC001610760111 1289582103 /nfs/dbraw/zinc/58/21/03/1289582103.db2.gz XVFHJKOSBYQIGH-LLVKDONJSA-N -2 3 365.205 0.756 20 0 FCADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCOCCO)s1 ZINC001610808440 1289599014 /nfs/dbraw/zinc/59/90/14/1289599014.db2.gz VXZMIUABGFNIHE-UHFFFAOYSA-N -2 3 374.234 0.496 20 0 FCADHL O=C([O-])c1cn([C@@H]2CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)nn1 ZINC001610858585 1289609783 /nfs/dbraw/zinc/60/97/83/1289609783.db2.gz MUSKGPFOSASNAN-SECBINFHSA-N -2 3 370.325 0.339 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](CO)Cc1ccc(F)cc1 ZINC001610871932 1289613885 /nfs/dbraw/zinc/61/38/85/1289613885.db2.gz YLIVWPRYUKKPIG-SNVBAGLBSA-N -2 3 360.388 0.862 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]N=c2nccc[nH]2)c(F)c1 ZINC000057117291 835991412 /nfs/dbraw/zinc/99/14/12/835991412.db2.gz CFAAWLYMMAPWIA-UHFFFAOYSA-N -2 3 361.380 0.293 20 0 FCADHL C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000747508962 836245715 /nfs/dbraw/zinc/24/57/15/836245715.db2.gz IELJXCVVLFBIEQ-APPZFPTMSA-N -2 3 350.393 0.658 20 0 FCADHL NC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175432928 850766125 /nfs/dbraw/zinc/76/61/25/850766125.db2.gz OGFYNWDQECKUAP-UHFFFAOYSA-N -2 3 359.371 0.967 20 0 FCADHL CS(=O)(=O)Nc1cccc(CC(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001184012422 851283334 /nfs/dbraw/zinc/28/33/34/851283334.db2.gz DUDUVSQOTAGBJY-UHFFFAOYSA-N -2 3 364.360 0.675 20 0 FCADHL COC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185154703 851339495 /nfs/dbraw/zinc/33/94/95/851339495.db2.gz XIRHIQVIKJQVTO-NSHDSACASA-N -2 3 351.327 0.791 20 0 FCADHL NC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185598120 851368886 /nfs/dbraw/zinc/36/88/86/851368886.db2.gz KLOVVFBHFKVDAU-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL NC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185598120 851368895 /nfs/dbraw/zinc/36/88/95/851368895.db2.gz KLOVVFBHFKVDAU-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL O=C([O-])c1cc(C(=O)NCc2ncccc2[O-])cc(S(=O)(=O)[O-])c1 ZINC001189934286 851845718 /nfs/dbraw/zinc/84/57/18/851845718.db2.gz SDHGEQPPSOYYDZ-UHFFFAOYSA-N -3 3 352.324 0.662 20 0 FCADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(SC)[n-]c2=O)c1 ZINC001191438217 852070689 /nfs/dbraw/zinc/07/06/89/852070689.db2.gz SUIKJHHBKBKXSU-UHFFFAOYSA-N -2 3 370.412 0.770 20 0 FCADHL CNC(=O)c1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001191632845 852114136 /nfs/dbraw/zinc/11/41/36/852114136.db2.gz DTSVXHSPLPHSMT-UHFFFAOYSA-N -2 3 350.333 0.282 20 0 FCADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2nccc(OC)c2[O-])c1 ZINC001193531597 852441685 /nfs/dbraw/zinc/44/16/85/852441685.db2.gz LZGWLIGRCIQSQC-UHFFFAOYSA-N -2 3 353.356 0.662 20 0 FCADHL CN1CCN(c2cncc(C(=O)NCCCCP(=O)([O-])[O-])c2)CC1 ZINC001193952845 852515440 /nfs/dbraw/zinc/51/54/40/852515440.db2.gz WBSIOLBXPYVJCP-UHFFFAOYSA-N -2 3 356.363 0.521 20 0 FCADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C(=O)OC)[n-]n2)c1 ZINC001194289157 852573462 /nfs/dbraw/zinc/57/34/62/852573462.db2.gz ZYODGWCZQZBLQB-UHFFFAOYSA-N -2 3 354.344 0.062 20 0 FCADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C(=O)OC)n[n-]2)c1 ZINC001194289157 852573464 /nfs/dbraw/zinc/57/34/64/852573464.db2.gz ZYODGWCZQZBLQB-UHFFFAOYSA-N -2 3 354.344 0.062 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2SC(=O)[N-]C2=O)c(F)cc1F ZINC001195250168 852731898 /nfs/dbraw/zinc/73/18/98/852731898.db2.gz VBVRCSDOGAKKGQ-QMMMGPOBSA-N -3 3 352.296 0.250 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOP(=O)([O-])[O-])c(F)cc1F ZINC001195255493 852732972 /nfs/dbraw/zinc/73/29/72/852732972.db2.gz XECYETLHOWTLMR-UHFFFAOYSA-N -4 3 361.215 0.051 20 0 FCADHL CN1CCN(c2cnccc2C(=O)NCCCCP(=O)([O-])[O-])CC1 ZINC001198158307 853223673 /nfs/dbraw/zinc/22/36/73/853223673.db2.gz DZKPSTJQEAFEEQ-UHFFFAOYSA-N -2 3 356.363 0.521 20 0 FCADHL O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ccc2c([O-])coc2c1 ZINC001225341785 857036000 /nfs/dbraw/zinc/03/60/00/857036000.db2.gz DEGJKNCUCXQNBE-GFCCVEGCSA-N -2 3 357.384 0.229 20 0 FCADHL O=C1CCc2cc([O-])c(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])cc21 ZINC001228853770 857233164 /nfs/dbraw/zinc/23/31/64/857233164.db2.gz KRAULRPQLYIKKC-GFCCVEGCSA-N -2 3 371.411 0.489 20 0 FCADHL Cc1csc2nc(=S)[n-]c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c12 ZINC001229352507 857265798 /nfs/dbraw/zinc/26/57/98/857265798.db2.gz IAEVPSAMQGBEGP-SVGQVSJJSA-N -3 3 372.380 0.730 20 0 FCADHL O=C([O-])C[C@H](C(=O)Oc1cc([O-])cc(Br)c1)[C@H](O)C(=O)[O-] ZINC001231016324 857353618 /nfs/dbraw/zinc/35/36/18/857353618.db2.gz XADZNXLGRRMTQX-WPRPVWTQSA-N -3 3 363.116 0.597 20 0 FCADHL CCOC(=O)C1(C(=O)OCC)CC(Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233940919 857392752 /nfs/dbraw/zinc/39/27/52/857392752.db2.gz ZTDHCCIKKDLPQO-UHFFFAOYSA-N -2 3 350.331 0.300 20 0 FCADHL COc1ccc(OC)c(S(=O)(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001254465089 857974081 /nfs/dbraw/zinc/97/40/81/857974081.db2.gz QODWHECHGOUPFM-UHFFFAOYSA-N -2 3 353.333 0.940 20 0 FCADHL O=P([O-])([O-])CCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001259347065 858262152 /nfs/dbraw/zinc/26/21/52/858262152.db2.gz MRVFJAICIJYGOK-UHFFFAOYSA-N -2 3 351.317 0.694 20 0 FCADHL CCO[N-]C(=O)CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001261511268 858573073 /nfs/dbraw/zinc/57/30/73/858573073.db2.gz ZXOYVWHYCASKDJ-UHFFFAOYSA-N -2 3 362.383 0.064 20 0 FCADHL C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000324533719 971130393 /nfs/dbraw/zinc/13/03/93/971130393.db2.gz UMJCPPJXWLGUEI-CPFSXVBKSA-N -2 3 351.327 0.481 20 0 FCADHL Cc1cc(C(=O)[N-]N2CCCNC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259804 947749647 /nfs/dbraw/zinc/74/96/47/947749647.db2.gz HDWZCZHCWNANLW-UHFFFAOYSA-N -2 3 367.373 0.421 20 0 FCADHL Cc1cc(C(=O)[N-]N2CCCNC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259804 947749655 /nfs/dbraw/zinc/74/96/55/947749655.db2.gz HDWZCZHCWNANLW-UHFFFAOYSA-N -2 3 367.373 0.421 20 0 FCADHL CC(C)[C@@]1(CO)CCCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001574090124 948976575 /nfs/dbraw/zinc/97/65/75/948976575.db2.gz LKBZBVDRSAPHEU-KRWDZBQOSA-N -2 3 372.433 0.846 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001570960140 949984078 /nfs/dbraw/zinc/98/40/78/949984078.db2.gz ANRAAMOFBHVSMH-UHFFFAOYSA-N -2 3 353.140 0.749 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001570960140 949984087 /nfs/dbraw/zinc/98/40/87/949984087.db2.gz ANRAAMOFBHVSMH-UHFFFAOYSA-N -2 3 353.140 0.749 20 0 FCADHL C[C@H]1[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccccc1[O-] ZINC001575918473 950596101 /nfs/dbraw/zinc/59/61/01/950596101.db2.gz CHGTYLAGUKCREN-CMPLNLGQSA-N -2 3 366.385 0.499 20 0 FCADHL C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ncccc1[O-] ZINC001575009292 950783753 /nfs/dbraw/zinc/78/37/53/950783753.db2.gz RXFCLPGFBAUOOZ-VIFPVBQESA-N -2 3 370.373 0.091 20 0 FCADHL CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001570995928 951002688 /nfs/dbraw/zinc/00/26/88/951002688.db2.gz ZGTTUCPJLFBOOB-GHMZBOCLSA-N -2 3 359.358 0.991 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC001571028056 951507108 /nfs/dbraw/zinc/50/71/08/951507108.db2.gz UQMHLMZLVXDZNY-UHFFFAOYSA-N -2 3 367.370 0.515 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575067957 951627010 /nfs/dbraw/zinc/62/70/10/951627010.db2.gz SVYSYRRMTOKPLT-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3nnn[n-]3)s2)o1 ZINC001571054563 951846457 /nfs/dbraw/zinc/84/64/57/951846457.db2.gz VOEZRZVMYAZPDM-UHFFFAOYSA-N -2 3 369.384 0.786 20 0 FCADHL C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccccc1[O-] ZINC001575145404 952182785 /nfs/dbraw/zinc/18/27/85/952182785.db2.gz XDHUELOVZFBFGV-SNVBAGLBSA-N -2 3 354.374 0.357 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)C1 ZINC001594897747 954583784 /nfs/dbraw/zinc/58/37/84/954583784.db2.gz CMYQGHCDIVCEJI-GFCCVEGCSA-N -2 3 360.414 0.957 20 0 FCADHL COC(=O)CC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC001593845044 955402910 /nfs/dbraw/zinc/40/29/10/955402910.db2.gz DDFSAUGMTJRDLD-LBPRGKRZSA-N -2 3 366.370 0.343 20 0 FCADHL COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(OC)c([O-])c(OC)c2)CCO1 ZINC001593979667 956704350 /nfs/dbraw/zinc/70/43/50/956704350.db2.gz FMKVWOSLHBAREM-MRXNPFEDSA-N -2 3 355.343 0.352 20 0 FCADHL 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WHZPYKASWRZRDF-NEPJUHHUSA-N -2 3 358.416 0.900 20 0 FCADHL Cn1nccc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000071333880 602142778 /nfs/dbraw/zinc/14/27/78/602142778.db2.gz NMOGJJYRALEAIN-UHFFFAOYSA-N -2 3 364.177 0.952 20 0 FCADHL C[S@@](=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000229193760 602156517 /nfs/dbraw/zinc/15/65/17/602156517.db2.gz DNAFUACSSQSQEH-GOSISDBHSA-N -2 3 374.234 0.787 20 0 FCADHL O=C([N-]OCc1cccnc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826449762 607632904 /nfs/dbraw/zinc/63/29/04/607632904.db2.gz IQKZMEMLBUWEHP-UHFFFAOYSA-N -2 3 357.305 0.587 20 0 FCADHL O=C([N-]OCc1cccnc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826449762 607632906 /nfs/dbraw/zinc/63/29/06/607632906.db2.gz IQKZMEMLBUWEHP-UHFFFAOYSA-N -2 3 357.305 0.587 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)cn1 ZINC000826164069 607663252 /nfs/dbraw/zinc/66/32/52/607663252.db2.gz XWVCCJBSJPZELQ-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnc(N(C)C)nc1 ZINC000826280337 607682809 /nfs/dbraw/zinc/68/28/09/607682809.db2.gz XZVULYFEDYLXSY-UHFFFAOYSA-N -2 3 360.403 0.832 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H]1CN(C)CCO1 ZINC000827760680 604417834 /nfs/dbraw/zinc/41/78/34/604417834.db2.gz OIKYJDTZILZHRD-SCZZXKLOSA-N -2 3 364.370 0.660 20 0 FCADHL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000829966566 604724080 /nfs/dbraw/zinc/72/40/80/604724080.db2.gz JMGSVGFMWGDALU-LLVKDONJSA-N -2 3 362.379 0.296 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1F ZINC000261616929 604810165 /nfs/dbraw/zinc/81/01/65/604810165.db2.gz BGIGEBOEAVGXNB-QMMMGPOBSA-N -2 3 366.392 0.292 20 0 FCADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822541391 606212230 /nfs/dbraw/zinc/21/22/30/606212230.db2.gz OGMZWIUAKHUWAK-UHFFFAOYSA-N -3 3 365.327 0.973 20 0 FCADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821449977 606248676 /nfs/dbraw/zinc/24/86/76/606248676.db2.gz YYNAFQXXGKDBRJ-UHFFFAOYSA-N -2 3 362.371 0.946 20 0 FCADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821449977 606248678 /nfs/dbraw/zinc/24/86/78/606248678.db2.gz YYNAFQXXGKDBRJ-UHFFFAOYSA-N -2 3 362.371 0.946 20 0 FCADHL O=C1Cc2cc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)ccc2N1 ZINC000823542650 606338168 /nfs/dbraw/zinc/33/81/68/606338168.db2.gz XQIYVAZSDKEBPF-UHFFFAOYSA-N -2 3 372.366 0.868 20 0 FCADHL CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc([O-])n(C)c1=O ZINC000820120877 606360260 /nfs/dbraw/zinc/36/02/60/606360260.db2.gz LTZIARVCORZKOZ-UHFFFAOYSA-N -2 3 369.385 0.717 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000822645629 606406417 /nfs/dbraw/zinc/40/64/17/606406417.db2.gz IFOQWSDVJMSLGS-UHFFFAOYSA-N -2 3 364.362 0.604 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000822645629 606406419 /nfs/dbraw/zinc/40/64/19/606406419.db2.gz IFOQWSDVJMSLGS-UHFFFAOYSA-N -2 3 364.362 0.604 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822950661 606406788 /nfs/dbraw/zinc/40/67/88/606406788.db2.gz WTGOGFRKNWJDLP-LLVKDONJSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822950661 606406790 /nfs/dbraw/zinc/40/67/90/606406790.db2.gz WTGOGFRKNWJDLP-LLVKDONJSA-N -2 3 365.415 0.629 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CC(F)(F)C1 ZINC000823285208 606627988 /nfs/dbraw/zinc/62/79/88/606627988.db2.gz OFTYBBCWJDZCIV-UHFFFAOYSA-N -2 3 357.342 0.858 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CC(F)(F)C1 ZINC000823285208 606627990 /nfs/dbraw/zinc/62/79/90/606627990.db2.gz OFTYBBCWJDZCIV-UHFFFAOYSA-N -2 3 357.342 0.858 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000822623358 606711497 /nfs/dbraw/zinc/71/14/97/606711497.db2.gz UJZPBZTXCIYKRV-UHFFFAOYSA-N -2 3 371.386 0.587 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)COC1 ZINC000820945850 606748630 /nfs/dbraw/zinc/74/86/30/606748630.db2.gz YTPWHEVBUCUUDC-UHFFFAOYSA-N -2 3 351.388 0.407 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)COC1 ZINC000820945850 606748631 /nfs/dbraw/zinc/74/86/31/606748631.db2.gz YTPWHEVBUCUUDC-UHFFFAOYSA-N -2 3 351.388 0.407 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC000821637883 606762660 /nfs/dbraw/zinc/76/26/60/606762660.db2.gz XQWYESMTGHLQRE-UHFFFAOYSA-N -2 3 364.343 0.120 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCSC1 ZINC000823284481 606800420 /nfs/dbraw/zinc/80/04/20/606800420.db2.gz ICLOPNKKHVUYHX-NSHDSACASA-N -2 3 353.429 0.566 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCSC1 ZINC000823284481 606800422 /nfs/dbraw/zinc/80/04/22/606800422.db2.gz ICLOPNKKHVUYHX-NSHDSACASA-N -2 3 353.429 0.566 20 0 FCADHL CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000820183501 606860816 /nfs/dbraw/zinc/86/08/16/606860816.db2.gz GIKDBOHZFZIDMG-UHFFFAOYSA-N -2 3 367.420 0.681 20 0 FCADHL O=S(=O)([N-]c1cnn(CCO)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588983 606867550 /nfs/dbraw/zinc/86/75/50/606867550.db2.gz GRYCNUIIDZERFP-UHFFFAOYSA-N -2 3 371.329 0.135 20 0 FCADHL O=S(=O)([N-]c1cnn(CCO)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823588983 606867551 /nfs/dbraw/zinc/86/75/51/606867551.db2.gz GRYCNUIIDZERFP-UHFFFAOYSA-N -2 3 371.329 0.135 20 0 FCADHL Cc1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)on1 ZINC000822200879 606889275 /nfs/dbraw/zinc/88/92/75/606889275.db2.gz GRBJGTDDYYCBPU-UHFFFAOYSA-N -2 3 356.314 0.920 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)c1cnccn1 ZINC000822929265 606953924 /nfs/dbraw/zinc/95/39/24/606953924.db2.gz RINNDOYGKBNPMZ-WAYWQWQTSA-N -2 3 357.355 0.175 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)c1cnccn1 ZINC000822929265 606953925 /nfs/dbraw/zinc/95/39/25/606953925.db2.gz RINNDOYGKBNPMZ-WAYWQWQTSA-N -2 3 357.355 0.175 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cncc(F)c1 ZINC000823284782 607096172 /nfs/dbraw/zinc/09/61/72/607096172.db2.gz JWSPOBAONPIUTM-UHFFFAOYSA-N -2 3 362.346 0.661 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cncc(F)c1 ZINC000823284782 607096174 /nfs/dbraw/zinc/09/61/74/607096174.db2.gz JWSPOBAONPIUTM-UHFFFAOYSA-N -2 3 362.346 0.661 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCC1(C(=O)[O-])CCC1 ZINC000821700075 607110407 /nfs/dbraw/zinc/11/04/07/607110407.db2.gz BZPAAXFHTDJFRK-UHFFFAOYSA-N -2 3 361.358 0.625 20 0 FCADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822378991 607184663 /nfs/dbraw/zinc/18/46/63/607184663.db2.gz IYQHLHIERMZICF-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822378991 607184664 /nfs/dbraw/zinc/18/46/64/607184664.db2.gz IYQHLHIERMZICF-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL COC(=O)c1cncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821670992 607185225 /nfs/dbraw/zinc/18/52/25/607185225.db2.gz BMDXLCFDJZKYJA-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449774 607777647 /nfs/dbraw/zinc/77/76/47/607777647.db2.gz JFHFHRZEQWKYEQ-UHFFFAOYSA-N -2 3 367.778 0.503 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449774 607777648 /nfs/dbraw/zinc/77/76/48/607777648.db2.gz JFHFHRZEQWKYEQ-UHFFFAOYSA-N -2 3 367.778 0.503 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)nc1 ZINC000826282390 607806411 /nfs/dbraw/zinc/80/64/11/607806411.db2.gz MMTMWZQHDBMMBF-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)nc1 ZINC000826282390 607806412 /nfs/dbraw/zinc/80/64/12/607806412.db2.gz MMTMWZQHDBMMBF-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL O=S(=O)([N-]c1cc(-c2ccncc2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492614 607844328 /nfs/dbraw/zinc/84/43/28/607844328.db2.gz USYLWCJTSPPXMD-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL O=S(=O)([N-]c1cc(-c2ccncc2)[nH]n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826492614 607844329 /nfs/dbraw/zinc/84/43/29/607844329.db2.gz USYLWCJTSPPXMD-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)CCOCCOC ZINC000825632333 607846134 /nfs/dbraw/zinc/84/61/34/607846134.db2.gz PALJRORLYFXBCA-UHFFFAOYSA-N -2 3 371.419 0.670 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826403403 607985498 /nfs/dbraw/zinc/98/54/98/607985498.db2.gz RFWMZGKVUYEKOC-VMPITWQZSA-N -2 3 370.394 0.921 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826403403 607985499 /nfs/dbraw/zinc/98/54/99/607985499.db2.gz RFWMZGKVUYEKOC-VMPITWQZSA-N -2 3 370.394 0.921 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826403404 607985534 /nfs/dbraw/zinc/98/55/34/607985534.db2.gz RFWMZGKVUYEKOC-YVMONPNESA-N -2 3 370.394 0.921 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826403404 607985535 /nfs/dbraw/zinc/98/55/35/607985535.db2.gz RFWMZGKVUYEKOC-YVMONPNESA-N -2 3 370.394 0.921 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1-c1nnn[n-]1 ZINC000826301192 608010802 /nfs/dbraw/zinc/01/08/02/608010802.db2.gz VONFZRFZNZIRHU-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1-c1nn[n-]n1 ZINC000826301192 608010803 /nfs/dbraw/zinc/01/08/03/608010803.db2.gz VONFZRFZNZIRHU-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000824235543 608011134 /nfs/dbraw/zinc/01/11/34/608011134.db2.gz IIVRSFPKRQHPEB-SNVBAGLBSA-N -2 3 357.367 0.783 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826461382 608011369 /nfs/dbraw/zinc/01/13/69/608011369.db2.gz RQIKEEHVTKHVES-SECBINFHSA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000738207885 608011523 /nfs/dbraw/zinc/01/15/23/608011523.db2.gz JLAJGFCVJPTOKL-SECBINFHSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000738207885 608011524 /nfs/dbraw/zinc/01/15/24/608011524.db2.gz JLAJGFCVJPTOKL-SECBINFHSA-N -2 3 357.779 0.758 20 0 FCADHL CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC000825146868 608054656 /nfs/dbraw/zinc/05/46/56/608054656.db2.gz FRDYNKUYUQLNTH-SECBINFHSA-N -2 3 361.330 0.375 20 0 FCADHL O=S(=O)([N-]c1ccccc1-c1nc[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492835 608235783 /nfs/dbraw/zinc/23/57/83/608235783.db2.gz GTESEMZRTXBYNA-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL O=S(=O)([N-]c1ccccc1-c1nc[nH]n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826492835 608235785 /nfs/dbraw/zinc/23/57/85/608235785.db2.gz GTESEMZRTXBYNA-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc21 ZINC000823989476 608306393 /nfs/dbraw/zinc/30/63/93/608306393.db2.gz YUJROPXWIATMTN-UHFFFAOYSA-N -2 3 374.386 0.300 20 0 FCADHL O=c1ccc2cc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)ccc2[nH]1 ZINC000826502170 608307838 /nfs/dbraw/zinc/30/78/38/608307838.db2.gz XJDPAUWYDGCCPB-UHFFFAOYSA-N -2 3 358.343 0.232 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)nc1 ZINC000826279760 608351553 /nfs/dbraw/zinc/35/15/53/608351553.db2.gz AZOBWTLLRDWARL-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826222303 608819871 /nfs/dbraw/zinc/81/98/71/608819871.db2.gz RFKSXVXMCXPPPK-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826222303 608819873 /nfs/dbraw/zinc/81/98/73/608819873.db2.gz RFKSXVXMCXPPPK-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184371 609139246 /nfs/dbraw/zinc/13/92/46/609139246.db2.gz SPACBHFEXIVZLM-NWDGAFQWSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184371 609139248 /nfs/dbraw/zinc/13/92/48/609139248.db2.gz SPACBHFEXIVZLM-NWDGAFQWSA-N -2 3 365.415 0.877 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825662953 609256297 /nfs/dbraw/zinc/25/62/97/609256297.db2.gz FWLHTVPTXYRGHS-LBPRGKRZSA-N -2 3 350.404 0.301 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826155529 609386492 /nfs/dbraw/zinc/38/64/92/609386492.db2.gz SVDOTDYBHBVOSO-JTQLQIEISA-N -2 3 353.404 0.734 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826155529 609386494 /nfs/dbraw/zinc/38/64/94/609386494.db2.gz SVDOTDYBHBVOSO-JTQLQIEISA-N -2 3 353.404 0.734 20 0 FCADHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000064940846 663360102 /nfs/dbraw/zinc/36/01/02/663360102.db2.gz KUZHFUDVXBWCLR-UHFFFAOYSA-N -2 3 361.420 0.541 20 0 FCADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(OCC(=O)OC)cc1 ZINC000064375357 666457137 /nfs/dbraw/zinc/45/71/37/666457137.db2.gz CXUWVQXELQCCAF-UHFFFAOYSA-N -2 3 359.404 0.531 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc1C(=O)[O-] ZINC000068074772 666471614 /nfs/dbraw/zinc/47/16/14/666471614.db2.gz RRHVXAVMHYDRGJ-UHFFFAOYSA-N -3 3 365.367 0.802 20 0 FCADHL O=C([N-][N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F ZINC000046704745 666578647 /nfs/dbraw/zinc/57/86/47/666578647.db2.gz OUTOASWLEVFZBB-UHFFFAOYSA-N -2 3 350.331 0.619 20 0 FCADHL NC(=O)CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000230954180 666603126 /nfs/dbraw/zinc/60/31/26/666603126.db2.gz XWDKSFDGSNYLIU-UHFFFAOYSA-N -2 3 369.193 0.674 20 0 FCADHL COCCCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000760131571 667837758 /nfs/dbraw/zinc/83/77/58/667837758.db2.gz FJSYAFOJIGTHLJ-UHFFFAOYSA-N -2 3 368.408 0.429 20 0 FCADHL CCC(CC)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(N)=O ZINC000761288297 667885111 /nfs/dbraw/zinc/88/51/11/667885111.db2.gz VWITWLXTPAJKAE-UHFFFAOYSA-N -2 3 350.343 0.985 20 0 FCADHL COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)n1 ZINC000765098006 668000321 /nfs/dbraw/zinc/00/03/21/668000321.db2.gz KLNMJCDKMCXJAN-UHFFFAOYSA-N -2 3 367.387 0.763 20 0 FCADHL Cn1[n-]c(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nc1=O ZINC000765439398 668007000 /nfs/dbraw/zinc/00/70/00/668007000.db2.gz HONIADHGSDFYLZ-UHFFFAOYSA-N -2 3 358.376 0.135 20 0 FCADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000776437610 668261894 /nfs/dbraw/zinc/26/18/94/668261894.db2.gz YAJFTUSHECPWSL-SSDOTTSWSA-N -3 3 357.171 0.985 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H](Cc2ccc(O)cc2)C(=O)[O-])nc1Cl ZINC000776440053 668262337 /nfs/dbraw/zinc/26/23/37/668262337.db2.gz LEGHUTOUCDSNAG-SNVBAGLBSA-N -2 3 359.791 0.753 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C[C@H](Cc2ccccn2)C(=O)[O-])nc1Cl ZINC000776533900 668268692 /nfs/dbraw/zinc/26/86/92/668268692.db2.gz OKPJRWHETXAQPD-VIFPVBQESA-N -2 3 358.807 0.690 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1 ZINC000776579856 668274026 /nfs/dbraw/zinc/27/40/26/668274026.db2.gz PXOQVCZRHHZKBU-UHFFFAOYSA-N -2 3 357.344 0.665 20 0 FCADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)C(=O)[O-])n1 ZINC000776644554 668282676 /nfs/dbraw/zinc/28/26/76/668282676.db2.gz NYAHQRRHYQXVSJ-VIFPVBQESA-N -2 3 361.811 0.319 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)nc1Cl ZINC000772196612 668293097 /nfs/dbraw/zinc/29/30/97/668293097.db2.gz BVVHLVQMHRFCFM-PWSUYJOCSA-N -2 3 373.818 0.409 20 0 FCADHL CC(C)(NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000780695526 668483994 /nfs/dbraw/zinc/48/39/94/668483994.db2.gz QASIUOBYIDOBIU-UHFFFAOYSA-N -2 3 369.852 0.842 20 0 FCADHL O=C([N-]N1CCCNC1=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000783603900 668622869 /nfs/dbraw/zinc/62/28/69/668622869.db2.gz UYTJHBGPTTVNGI-UHFFFAOYSA-N -2 3 374.369 0.466 20 0 FCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2c(C)cnn2C)c1 ZINC000821192918 669167688 /nfs/dbraw/zinc/16/76/88/669167688.db2.gz NRTDDTXNUCXUDL-QHCPKHFHSA-N -2 3 371.440 0.350 20 0 FCADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2nc[n-]c2C(F)(F)F)s1 ZINC000823125864 669321333 /nfs/dbraw/zinc/32/13/33/669321333.db2.gz QOMAQBOLAATTAH-UHFFFAOYSA-N -2 3 356.311 0.904 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824866159 669421375 /nfs/dbraw/zinc/42/13/75/669421375.db2.gz LJPIWEQGDFTSAQ-KOLCDFICSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824866159 669421377 /nfs/dbraw/zinc/42/13/77/669421377.db2.gz LJPIWEQGDFTSAQ-KOLCDFICSA-N -2 3 351.388 0.487 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC000825679747 669464290 /nfs/dbraw/zinc/46/42/90/669464290.db2.gz CZGOWQHOLOLHPW-UFBFGSQYSA-N -2 3 353.404 0.953 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC000825679747 669464296 /nfs/dbraw/zinc/46/42/96/669464296.db2.gz CZGOWQHOLOLHPW-UFBFGSQYSA-N -2 3 353.404 0.953 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000826152791 669485448 /nfs/dbraw/zinc/48/54/48/669485448.db2.gz NOYCVGBMNUOBRH-UHFFFAOYSA-N -2 3 351.388 0.407 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000826152791 669485455 /nfs/dbraw/zinc/48/54/55/669485455.db2.gz NOYCVGBMNUOBRH-UHFFFAOYSA-N -2 3 351.388 0.407 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449825 669494238 /nfs/dbraw/zinc/49/42/38/669494238.db2.gz LCGUCJWZYRBVQW-UHFFFAOYSA-N -2 3 350.335 0.594 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449825 669494242 /nfs/dbraw/zinc/49/42/42/669494242.db2.gz LCGUCJWZYRBVQW-UHFFFAOYSA-N -2 3 350.335 0.594 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])c(F)c1 ZINC000809224068 669614295 /nfs/dbraw/zinc/61/42/95/669614295.db2.gz JINUHFSPZOLOPZ-CQSZACIVSA-N -2 3 363.363 0.364 20 0 FCADHL COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833720750 669937265 /nfs/dbraw/zinc/93/72/65/669937265.db2.gz FMNAYVDBQJCKIT-NSHDSACASA-N -2 3 352.390 0.088 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC=C(C(=O)[O-])C1 ZINC000853069599 671536390 /nfs/dbraw/zinc/53/63/90/671536390.db2.gz QBDJSENZGBQMSR-QMMMGPOBSA-N -2 3 360.775 0.973 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903706181 675962394 /nfs/dbraw/zinc/96/23/94/675962394.db2.gz DYYPMYCCLQPJNK-HGCLJGPKSA-N -2 3 366.336 0.386 20 0 FCADHL COCCN1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)C1 ZINC000871946633 672585264 /nfs/dbraw/zinc/58/52/64/672585264.db2.gz GKOSVIOKQIEXPL-SNVBAGLBSA-N -2 3 364.370 0.662 20 0 FCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1[O-] ZINC001001418789 1216194091 /nfs/dbraw/zinc/19/40/91/1216194091.db2.gz HDCLMUAQDABBKR-IEBDPFPHSA-N -2 3 371.353 0.164 20 0 FCADHL O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1n[n-]c2ccccc2c1=O ZINC001152716019 1222956014 /nfs/dbraw/zinc/95/60/14/1222956014.db2.gz HCHKOVJWBJCOLW-UHFFFAOYSA-N -2 3 353.338 0.834 20 0 FCADHL COc1ccc(Cn2cc(C(=O)[N-]C#N)c(=O)c3c[n-]c(=O)nc32)cc1 ZINC001155246992 1223030815 /nfs/dbraw/zinc/03/08/15/1223030815.db2.gz ZMLOGZHGDOQSGU-UHFFFAOYSA-N -2 3 351.322 0.765 20 0 FCADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(-n3[nH]c(=O)[n-]c3=O)cc1)C2 ZINC001557741907 1268973296 /nfs/dbraw/zinc/97/32/96/1268973296.db2.gz QIOQKRRHNVQCNE-UHFFFAOYSA-N -2 3 354.326 0.226 20 0 FCADHL C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1[O-] ZINC001574796811 1271535279 /nfs/dbraw/zinc/53/52/79/1271535279.db2.gz OFRALSYMSIJFFK-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1[O-] ZINC001574796811 1271535283 /nfs/dbraw/zinc/53/52/83/1271535283.db2.gz OFRALSYMSIJFFK-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](NC(=O)c1ccccc1[O-])[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575336486 1271951859 /nfs/dbraw/zinc/95/18/59/1271951859.db2.gz FKCAUCOQDJARRX-VHSXEESVSA-N -2 3 354.374 0.403 20 0 FCADHL C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1ncccc1[O-] ZINC001576043038 1272762878 /nfs/dbraw/zinc/76/28/78/1272762878.db2.gz XSKOJXVAZDRCSR-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1ncccc1[O-] ZINC001576043038 1272762890 /nfs/dbraw/zinc/76/28/90/1272762890.db2.gz XSKOJXVAZDRCSR-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001580691360 1278731571 /nfs/dbraw/zinc/73/15/71/1278731571.db2.gz IKUNJENJEIOSIE-JTQLQIEISA-N -2 3 369.389 0.638 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001580691360 1278731580 /nfs/dbraw/zinc/73/15/80/1278731580.db2.gz IKUNJENJEIOSIE-JTQLQIEISA-N -2 3 369.389 0.638 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576350441 1273175370 /nfs/dbraw/zinc/17/53/70/1273175370.db2.gz JCJIOMYQQKDXPB-MWLCHTKSSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576350441 1273175374 /nfs/dbraw/zinc/17/53/74/1273175374.db2.gz JCJIOMYQQKDXPB-MWLCHTKSSA-N -2 3 367.373 0.330 20 0 FCADHL CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576853516 1273805552 /nfs/dbraw/zinc/80/55/52/1273805552.db2.gz ZLELBMHXKZWORV-SNVBAGLBSA-N -2 3 357.378 0.619 20 0 FCADHL CC[C@@H](O)[C@@H]1CCCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576998844 1274034395 /nfs/dbraw/zinc/03/43/95/1274034395.db2.gz JXFRYRPBMMTCEM-QWHCGFSZSA-N -2 3 358.406 0.740 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1nccnc1-c1nnn[n-]1 ZINC001578101797 1275404526 /nfs/dbraw/zinc/40/45/26/1275404526.db2.gz VFWJKSSOQHIZRN-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1nccnc1-c1nn[n-]n1 ZINC001578101797 1275404529 /nfs/dbraw/zinc/40/45/29/1275404529.db2.gz VFWJKSSOQHIZRN-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CN(C(=O)c1ncccc1[O-])C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001578950128 1276494111 /nfs/dbraw/zinc/49/41/11/1276494111.db2.gz RJLBLPXGIRCIFT-UHFFFAOYSA-N -2 3 367.373 0.472 20 0 FCADHL CN(C(=O)c1ncccc1[O-])C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001578950128 1276494115 /nfs/dbraw/zinc/49/41/15/1276494115.db2.gz RJLBLPXGIRCIFT-UHFFFAOYSA-N -2 3 367.373 0.472 20 0 FCADHL CN(C(=O)c1ncccc1[O-])C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001578950530 1276495866 /nfs/dbraw/zinc/49/58/66/1276495866.db2.gz ZQAMNDYSLAMFJP-UHFFFAOYSA-N -2 3 367.373 0.472 20 0 FCADHL CN(C(=O)c1ncccc1[O-])C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001578950530 1276495871 /nfs/dbraw/zinc/49/58/71/1276495871.db2.gz ZQAMNDYSLAMFJP-UHFFFAOYSA-N -2 3 367.373 0.472 20 0 FCADHL CN(CCCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)c1ncccc1[O-] ZINC001579117895 1276791137 /nfs/dbraw/zinc/79/11/37/1276791137.db2.gz RYZHIELUYYIOEN-UHFFFAOYSA-N -2 3 369.389 0.356 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)c1ncc(Br)cc1-c1nnn[n-]1 ZINC001579266331 1277064062 /nfs/dbraw/zinc/06/40/62/1277064062.db2.gz IHYXRGHYVOQKTC-UHFFFAOYSA-N -2 3 353.140 0.337 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)c1ncc(Br)cc1-c1nn[n-]n1 ZINC001579266331 1277064065 /nfs/dbraw/zinc/06/40/65/1277064065.db2.gz IHYXRGHYVOQKTC-UHFFFAOYSA-N -2 3 353.140 0.337 20 0 FCADHL CN(c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579271215 1277072395 /nfs/dbraw/zinc/07/23/95/1277072395.db2.gz APARJECAHMMOAG-LBPRGKRZSA-N -2 3 366.385 0.713 20 0 FCADHL CN(c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579271215 1277072398 /nfs/dbraw/zinc/07/23/98/1277072398.db2.gz APARJECAHMMOAG-LBPRGKRZSA-N -2 3 366.385 0.713 20 0 FCADHL CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579286790 1277110446 /nfs/dbraw/zinc/11/04/46/1277110446.db2.gz OZRZCJVMKVCVKH-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579286790 1277110448 /nfs/dbraw/zinc/11/04/48/1277110448.db2.gz OZRZCJVMKVCVKH-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579289744 1277113616 /nfs/dbraw/zinc/11/36/16/1277113616.db2.gz MNBXUSFOTOSRAT-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579289744 1277113617 /nfs/dbraw/zinc/11/36/17/1277113617.db2.gz MNBXUSFOTOSRAT-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL COC(=O)C[C@](C)(NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001579445392 1277330512 /nfs/dbraw/zinc/33/05/12/1277330512.db2.gz GOUDXSGJPJZSRH-INIZCTEOSA-N -2 3 372.389 0.436 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001579465718 1277360450 /nfs/dbraw/zinc/36/04/50/1277360450.db2.gz LJESUHQDDJCWGR-LBPRGKRZSA-N -2 3 363.355 0.652 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001579465718 1277360460 /nfs/dbraw/zinc/36/04/60/1277360460.db2.gz LJESUHQDDJCWGR-LBPRGKRZSA-N -2 3 363.355 0.652 20 0 FCADHL COc1cc(S(=O)(=O)[N-]Cc2nc(-c3nnn[n-]3)cs2)sn1 ZINC001579937204 1277971004 /nfs/dbraw/zinc/97/10/04/1277971004.db2.gz FOCAMBWOEYMWTG-UHFFFAOYSA-N -2 3 359.418 0.267 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2cccc(F)c2-c2nnn[n-]2)c1[O-] ZINC001581391360 1279822036 /nfs/dbraw/zinc/82/20/36/1279822036.db2.gz HXLBIKITRPOMIQ-QMMMGPOBSA-N -2 3 374.380 0.998 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2cccc(F)c2-c2nn[n-]n2)c1[O-] ZINC001581391360 1279822038 /nfs/dbraw/zinc/82/20/38/1279822038.db2.gz HXLBIKITRPOMIQ-QMMMGPOBSA-N -2 3 374.380 0.998 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)C)c1[O-] ZINC001581391451 1279822569 /nfs/dbraw/zinc/82/25/69/1279822569.db2.gz JAHCGZSTWFAAJT-VIFPVBQESA-N -2 3 372.393 0.260 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)C)c1[O-] ZINC001581391451 1279822578 /nfs/dbraw/zinc/82/25/78/1279822578.db2.gz JAHCGZSTWFAAJT-VIFPVBQESA-N -2 3 372.393 0.260 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1[O-] ZINC001581391771 1279823489 /nfs/dbraw/zinc/82/34/89/1279823489.db2.gz VYYHQBHHUMCIMH-RQJHMYQMSA-N -2 3 358.366 0.013 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1[O-] ZINC001581391771 1279823496 /nfs/dbraw/zinc/82/34/96/1279823496.db2.gz VYYHQBHHUMCIMH-RQJHMYQMSA-N -2 3 358.366 0.013 20 0 FCADHL Cc1n[nH]c(C(=O)NC2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1[O-] ZINC001581391894 1279823798 /nfs/dbraw/zinc/82/37/98/1279823798.db2.gz OKOZERHAQHSZIQ-UHFFFAOYSA-N -2 3 369.389 0.398 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001581392275 1279825638 /nfs/dbraw/zinc/82/56/38/1279825638.db2.gz BSYOKJFLWAAFNH-KYZUINATSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)c1[O-] ZINC001581392186 1279825936 /nfs/dbraw/zinc/82/59/36/1279825936.db2.gz ZBNIKWTVWHFXGB-SSDOTTSWSA-N -2 3 360.353 0.973 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)c1[O-] ZINC001581392186 1279825942 /nfs/dbraw/zinc/82/59/42/1279825942.db2.gz ZBNIKWTVWHFXGB-SSDOTTSWSA-N -2 3 360.353 0.973 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)c1[O-] ZINC001581392533 1279827560 /nfs/dbraw/zinc/82/75/60/1279827560.db2.gz JSTPPHAJJVGYQJ-PRHODGIISA-N -2 3 369.389 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)c1[O-] ZINC001581392533 1279827563 /nfs/dbraw/zinc/82/75/63/1279827563.db2.gz JSTPPHAJJVGYQJ-PRHODGIISA-N -2 3 369.389 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)c1[O-] ZINC001581392825 1279829475 /nfs/dbraw/zinc/82/94/75/1279829475.db2.gz SVYCOLKRGZOEFD-ZCFIWIBFSA-N -2 3 361.341 0.368 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CNc2snc(C)c2-c2nnn[n-]2)c1[O-] ZINC001581393020 1279831855 /nfs/dbraw/zinc/83/18/55/1279831855.db2.gz ZCKXDFOCTFYHCR-YFKPBYRVSA-N -2 3 363.407 0.599 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CNc2snc(C)c2-c2nn[n-]n2)c1[O-] ZINC001581393020 1279831866 /nfs/dbraw/zinc/83/18/66/1279831866.db2.gz ZCKXDFOCTFYHCR-YFKPBYRVSA-N -2 3 363.407 0.599 20 0 FCADHL C[C@H](CCC[C@H](C)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603465550 1287378816 /nfs/dbraw/zinc/37/88/16/1287378816.db2.gz DHUUURYBRHSQEN-ZJUUUORDSA-N -2 3 368.419 0.820 20 0 FCADHL C[C@H](CCC[C@H](C)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603465550 1287378821 /nfs/dbraw/zinc/37/88/21/1287378821.db2.gz DHUUURYBRHSQEN-ZJUUUORDSA-N -2 3 368.419 0.820 20 0 FCADHL C[C@H](CCC(=O)[O-])CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001603466470 1287381030 /nfs/dbraw/zinc/38/10/30/1287381030.db2.gz NNSICAUZZGHQPO-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL C[C@H](CCC(=O)[O-])CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001603466470 1287381032 /nfs/dbraw/zinc/38/10/32/1287381032.db2.gz NNSICAUZZGHQPO-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL Cc1noc([C@@H]([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C(C)C)n1 ZINC001581626806 1280282731 /nfs/dbraw/zinc/28/27/31/1280282731.db2.gz HSUUWNSGKAAQEB-NSHDSACASA-N -2 3 364.391 0.629 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001603751375 1287487367 /nfs/dbraw/zinc/48/73/67/1287487367.db2.gz GPCLRAKWAXCQPJ-CQSZACIVSA-N -2 3 369.378 0.632 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001603751373 1287487946 /nfs/dbraw/zinc/48/79/46/1287487946.db2.gz GPCLRAKWAXCQPJ-AWEZNQCLSA-N -2 3 369.378 0.632 20 0 FCADHL O=C(NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ncccc1[O-] ZINC001582328483 1281349004 /nfs/dbraw/zinc/34/90/04/1281349004.db2.gz RTLWZMWFBLFMPH-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ncccc1[O-] ZINC001582328483 1281349008 /nfs/dbraw/zinc/34/90/08/1281349008.db2.gz RTLWZMWFBLFMPH-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)c1ncccc1[O-] ZINC001582399421 1281465530 /nfs/dbraw/zinc/46/55/30/1281465530.db2.gz ACJRQXOSZFBQCP-UHFFFAOYSA-N -2 3 367.373 0.522 20 0 FCADHL O=C(NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)c1ncccc1[O-] ZINC001582399421 1281465533 /nfs/dbraw/zinc/46/55/33/1281465533.db2.gz ACJRQXOSZFBQCP-UHFFFAOYSA-N -2 3 367.373 0.522 20 0 FCADHL O=C(NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582463194 1281583654 /nfs/dbraw/zinc/58/36/54/1281583654.db2.gz JGWGYYJJXCVLEC-SNVBAGLBSA-N -2 3 367.373 0.014 20 0 FCADHL O=C(NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582463194 1281583659 /nfs/dbraw/zinc/58/36/59/1281583659.db2.gz JGWGYYJJXCVLEC-SNVBAGLBSA-N -2 3 367.373 0.014 20 0 FCADHL O=C(N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582589225 1281779562 /nfs/dbraw/zinc/77/95/62/1281779562.db2.gz KONFXERSLMSTCD-NSHDSACASA-N -2 3 366.385 0.761 20 0 FCADHL O=C(N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582589225 1281779564 /nfs/dbraw/zinc/77/95/64/1281779564.db2.gz KONFXERSLMSTCD-NSHDSACASA-N -2 3 366.385 0.761 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001582606183 1281796642 /nfs/dbraw/zinc/79/66/42/1281796642.db2.gz DZXDHQMLSTWBRB-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001582606183 1281796653 /nfs/dbraw/zinc/79/66/53/1281796653.db2.gz DZXDHQMLSTWBRB-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582614170 1281810058 /nfs/dbraw/zinc/81/00/58/1281810058.db2.gz LVPSNVLSUQHUJR-KYZUINATSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ncccc1[O-] ZINC001582614170 1281810067 /nfs/dbraw/zinc/81/00/67/1281810067.db2.gz LVPSNVLSUQHUJR-KYZUINATSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1csc(-c2nnn[n-]2)c1 ZINC001582638959 1281836478 /nfs/dbraw/zinc/83/64/78/1281836478.db2.gz BCYFSIPUAKCFTJ-UHFFFAOYSA-N -2 3 355.343 0.862 20 0 FCADHL O=C(c1ccccc1[O-])N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001582712612 1281918044 /nfs/dbraw/zinc/91/80/44/1281918044.db2.gz TXAZFSXOVOSUPV-JTQLQIEISA-N -2 3 352.358 0.111 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001582751585 1281976224 /nfs/dbraw/zinc/97/62/24/1281976224.db2.gz MQRAHNSWJXFHCA-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001582751585 1281976225 /nfs/dbraw/zinc/97/62/25/1281976225.db2.gz MQRAHNSWJXFHCA-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001582751761 1281978252 /nfs/dbraw/zinc/97/82/52/1281978252.db2.gz VOCGFKPBJIUHCS-UHFFFAOYSA-N -2 3 367.373 0.110 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001582751761 1281978260 /nfs/dbraw/zinc/97/82/60/1281978260.db2.gz VOCGFKPBJIUHCS-UHFFFAOYSA-N -2 3 367.373 0.110 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC[C@H]1C(=O)[O-] ZINC001603939936 1287539876 /nfs/dbraw/zinc/53/98/76/1287539876.db2.gz XVQLQZSJOZJUGD-BXKDBHETSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC[C@H]1C(=O)[O-] ZINC001603939936 1287539880 /nfs/dbraw/zinc/53/98/80/1287539880.db2.gz XVQLQZSJOZJUGD-BXKDBHETSA-N -2 3 351.388 0.598 20 0 FCADHL O=S(=O)([N-]Cc1ncccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582797652 1282019718 /nfs/dbraw/zinc/01/97/18/1282019718.db2.gz SIAQRIFKQMPXSH-UHFFFAOYSA-N -2 3 353.314 0.413 20 0 FCADHL COc1ccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cc1N1CCNC1=O ZINC001634157845 1282305013 /nfs/dbraw/zinc/30/50/13/1282305013.db2.gz RPXAMTCLWLHTRC-UHFFFAOYSA-N -2 3 359.342 0.356 20 0 FCADHL O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCOC[C@H]1c1nnn[n-]1 ZINC001635091335 1282379191 /nfs/dbraw/zinc/37/91/91/1282379191.db2.gz XAONUTJVBNCQAO-NSHDSACASA-N -2 3 359.321 0.444 20 0 FCADHL O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCOC[C@H]1c1nn[n-]n1 ZINC001635091335 1282379199 /nfs/dbraw/zinc/37/91/99/1282379199.db2.gz XAONUTJVBNCQAO-NSHDSACASA-N -2 3 359.321 0.444 20 0 FCADHL CC(C)(C)OCCS(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001589197154 1282814826 /nfs/dbraw/zinc/81/48/26/1282814826.db2.gz FPXFGKJVWQLIMU-UHFFFAOYSA-N -2 3 359.433 0.803 20 0 FCADHL CC(C)(C)OCCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001589197154 1282814832 /nfs/dbraw/zinc/81/48/32/1282814832.db2.gz FPXFGKJVWQLIMU-UHFFFAOYSA-N -2 3 359.433 0.803 20 0 FCADHL CC(C)(CC(=O)[O-])NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001589269995 1282825278 /nfs/dbraw/zinc/82/52/78/1282825278.db2.gz QOTWJIFONUQUDR-UHFFFAOYSA-N -2 3 357.367 0.679 20 0 FCADHL CC(C)(CC(=O)[O-])NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001589269995 1282825284 /nfs/dbraw/zinc/82/52/84/1282825284.db2.gz QOTWJIFONUQUDR-UHFFFAOYSA-N -2 3 357.367 0.679 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001589314149 1282837233 /nfs/dbraw/zinc/83/72/33/1282837233.db2.gz OCPPHRGQSRPGAV-UHFFFAOYSA-N -2 3 358.280 0.762 20 0 FCADHL CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589418052 1282877169 /nfs/dbraw/zinc/87/71/69/1282877169.db2.gz MSEFKDOBNJINCJ-KWQFWETISA-N -2 3 354.392 0.285 20 0 FCADHL CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589418052 1282877174 /nfs/dbraw/zinc/87/71/74/1282877174.db2.gz MSEFKDOBNJINCJ-KWQFWETISA-N -2 3 354.392 0.285 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589418047 1282877880 /nfs/dbraw/zinc/87/78/80/1282877880.db2.gz MSEFKDOBNJINCJ-GZMMTYOYSA-N -2 3 354.392 0.285 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589418047 1282877887 /nfs/dbraw/zinc/87/78/87/1282877887.db2.gz MSEFKDOBNJINCJ-GZMMTYOYSA-N -2 3 354.392 0.285 20 0 FCADHL CC(C)[C@H](CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589456639 1282886287 /nfs/dbraw/zinc/88/62/87/1282886287.db2.gz JMXVLMLFNQSYNE-LBPRGKRZSA-N -2 3 353.404 0.643 20 0 FCADHL C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001604350323 1287611019 /nfs/dbraw/zinc/61/10/19/1287611019.db2.gz FNKAGPBKGVVTNT-NXEZZACHSA-N -2 3 373.431 0.781 20 0 FCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604350326 1287611466 /nfs/dbraw/zinc/61/14/66/1287611466.db2.gz FNKAGPBKGVVTNT-ZJUUUORDSA-N -2 3 373.431 0.781 20 0 FCADHL C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001589804725 1283018581 /nfs/dbraw/zinc/01/85/81/1283018581.db2.gz LIVKCQDJXJEFTP-QMMMGPOBSA-N -2 3 357.367 0.928 20 0 FCADHL C[C@H](CCCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589817671 1283051432 /nfs/dbraw/zinc/05/14/32/1283051432.db2.gz PZWRMEPFZBGIAN-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL C[C@H](CCCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589817671 1283051439 /nfs/dbraw/zinc/05/14/39/1283051439.db2.gz PZWRMEPFZBGIAN-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL C[C@H](CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC(=O)[O-] ZINC001589829316 1283068533 /nfs/dbraw/zinc/06/85/33/1283068533.db2.gz DCBMBEKLSCWZIE-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@H](CNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1)C(=O)[O-] ZINC001589858844 1283092429 /nfs/dbraw/zinc/09/24/29/1283092429.db2.gz USXGFHPGEWITGL-GFCCVEGCSA-N -2 3 373.417 0.809 20 0 FCADHL C[C@H](CNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1)C(=O)[O-] ZINC001589858844 1283092437 /nfs/dbraw/zinc/09/24/37/1283092437.db2.gz USXGFHPGEWITGL-GFCCVEGCSA-N -2 3 373.417 0.809 20 0 FCADHL C[C@@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589933048 1283137842 /nfs/dbraw/zinc/13/78/42/1283137842.db2.gz YAKLMKRIVHULNY-OMXAPOSASA-N -2 3 372.385 0.670 20 0 FCADHL C[C@@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589933048 1283137845 /nfs/dbraw/zinc/13/78/45/1283137845.db2.gz YAKLMKRIVHULNY-OMXAPOSASA-N -2 3 372.385 0.670 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001590071504 1283202372 /nfs/dbraw/zinc/20/23/72/1283202372.db2.gz OWKCCOITGBXINC-ZDUSSCGKSA-N -2 3 355.351 0.491 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001590071504 1283202380 /nfs/dbraw/zinc/20/23/80/1283202380.db2.gz OWKCCOITGBXINC-ZDUSSCGKSA-N -2 3 355.351 0.491 20 0 FCADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590087449 1283209508 /nfs/dbraw/zinc/20/95/08/1283209508.db2.gz RVCXMKYJKSQRDI-KRWDZBQOSA-N -2 3 371.401 0.411 20 0 FCADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590087449 1283209521 /nfs/dbraw/zinc/20/95/21/1283209521.db2.gz RVCXMKYJKSQRDI-KRWDZBQOSA-N -2 3 371.401 0.411 20 0 FCADHL C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590162722 1283257376 /nfs/dbraw/zinc/25/73/76/1283257376.db2.gz DANUTPOSNXJGLI-IUCAKERBSA-N -2 3 364.387 0.072 20 0 FCADHL C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590162722 1283257382 /nfs/dbraw/zinc/25/73/82/1283257382.db2.gz DANUTPOSNXJGLI-IUCAKERBSA-N -2 3 364.387 0.072 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CO1 ZINC001590183643 1283289858 /nfs/dbraw/zinc/28/98/58/1283289858.db2.gz OGHBAMMJPFXPDR-YUMQZZPRSA-N -2 3 371.806 0.750 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CO1 ZINC001590183643 1283289868 /nfs/dbraw/zinc/28/98/68/1283289868.db2.gz OGHBAMMJPFXPDR-YUMQZZPRSA-N -2 3 371.806 0.750 20 0 FCADHL C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC001590194309 1283299622 /nfs/dbraw/zinc/29/96/22/1283299622.db2.gz RXFXKEJBMTVNGM-SBMIAAHKSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC001590194309 1283299632 /nfs/dbraw/zinc/29/96/32/1283299632.db2.gz RXFXKEJBMTVNGM-SBMIAAHKSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C(=O)O1 ZINC001590208516 1283328209 /nfs/dbraw/zinc/32/82/09/1283328209.db2.gz XCLWMDOPCYXWTH-ANLVUFKYSA-N -2 3 359.314 0.127 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590226075 1283357105 /nfs/dbraw/zinc/35/71/05/1283357105.db2.gz JZXAFWWVUSIICR-KOLCDFICSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590226075 1283357108 /nfs/dbraw/zinc/35/71/08/1283357108.db2.gz JZXAFWWVUSIICR-KOLCDFICSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590246526 1283378015 /nfs/dbraw/zinc/37/80/15/1283378015.db2.gz CRELNWFCINTLNE-CLAHSXSESA-N -2 3 373.385 0.974 20 0 FCADHL C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590270932 1283398384 /nfs/dbraw/zinc/39/83/84/1283398384.db2.gz CJFAUIIYZVNZTC-NRUUGDAUSA-N -2 3 358.406 0.596 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@H]1C(=O)[O-] ZINC001590275638 1283403321 /nfs/dbraw/zinc/40/33/21/1283403321.db2.gz FFZLEBDQIMCJML-RDDDGLTNSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590301358 1283438808 /nfs/dbraw/zinc/43/88/08/1283438808.db2.gz CFVMPIOHZUJNPH-ONGXEEELSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590301358 1283438815 /nfs/dbraw/zinc/43/88/15/1283438815.db2.gz CFVMPIOHZUJNPH-ONGXEEELSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC[C@@H]1C(=O)[O-] ZINC001590315027 1283458538 /nfs/dbraw/zinc/45/85/38/1283458538.db2.gz LDGIYXBDVRNSKV-WPRPVWTQSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[C@@H]1C(=O)[O-] ZINC001590315027 1283458540 /nfs/dbraw/zinc/45/85/40/1283458540.db2.gz LDGIYXBDVRNSKV-WPRPVWTQSA-N -2 3 366.403 0.061 20 0 FCADHL CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604417382 1287643336 /nfs/dbraw/zinc/64/33/36/1287643336.db2.gz MYSGWBZELWFUNH-NWDGAFQWSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604417382 1287643339 /nfs/dbraw/zinc/64/33/39/1287643339.db2.gz MYSGWBZELWFUNH-NWDGAFQWSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590333792 1283478633 /nfs/dbraw/zinc/47/86/33/1283478633.db2.gz HDDUMVCPLDIBGH-XHSYRHOGSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590333792 1283478638 /nfs/dbraw/zinc/47/86/38/1283478638.db2.gz HDDUMVCPLDIBGH-XHSYRHOGSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590336138 1283482661 /nfs/dbraw/zinc/48/26/61/1283482661.db2.gz JQZOSBKLGNDYNZ-XVKPBYJWSA-N -2 3 355.401 0.403 20 0 FCADHL C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590336138 1283482669 /nfs/dbraw/zinc/48/26/69/1283482669.db2.gz JQZOSBKLGNDYNZ-XVKPBYJWSA-N -2 3 355.401 0.403 20 0 FCADHL CC[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)C(=O)[O-] ZINC001590436234 1283535574 /nfs/dbraw/zinc/53/55/74/1283535574.db2.gz JUKWXTCMJLZDMV-SNVBAGLBSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)C(=O)[O-] ZINC001590436234 1283535580 /nfs/dbraw/zinc/53/55/80/1283535580.db2.gz JUKWXTCMJLZDMV-SNVBAGLBSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)CC(=O)[O-] ZINC001590445933 1283541856 /nfs/dbraw/zinc/54/18/56/1283541856.db2.gz DAVFQNPDJCRKIF-QMMMGPOBSA-N -2 3 357.367 0.785 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)CC(=O)[O-] ZINC001590445933 1283541863 /nfs/dbraw/zinc/54/18/63/1283541863.db2.gz DAVFQNPDJCRKIF-QMMMGPOBSA-N -2 3 357.367 0.785 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1)CC(=O)[O-] ZINC001590447269 1283544225 /nfs/dbraw/zinc/54/42/25/1283544225.db2.gz VAQGDIJCJIMVBR-SNVBAGLBSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1)CC(=O)[O-] ZINC001590447269 1283544231 /nfs/dbraw/zinc/54/42/31/1283544231.db2.gz VAQGDIJCJIMVBR-SNVBAGLBSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001590500553 1283569590 /nfs/dbraw/zinc/56/95/90/1283569590.db2.gz SAWUWLXFHAXUBA-CMPLNLGQSA-N -2 3 366.403 0.444 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001590500553 1283569599 /nfs/dbraw/zinc/56/95/99/1283569599.db2.gz SAWUWLXFHAXUBA-CMPLNLGQSA-N -2 3 366.403 0.444 20 0 FCADHL CCC1(S(=O)(=O)[N-]C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001590500790 1283570250 /nfs/dbraw/zinc/57/02/50/1283570250.db2.gz ZFXLTOUKSFIADS-UHFFFAOYSA-N -2 3 351.388 0.634 20 0 FCADHL CCC1(S(=O)(=O)[N-]C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001590500790 1283570256 /nfs/dbraw/zinc/57/02/56/1283570256.db2.gz ZFXLTOUKSFIADS-UHFFFAOYSA-N -2 3 351.388 0.634 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590501151 1283570937 /nfs/dbraw/zinc/57/09/37/1283570937.db2.gz WQANHURLBDRXGY-CHWSQXEVSA-N -2 3 365.415 0.882 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590501151 1283570942 /nfs/dbraw/zinc/57/09/42/1283570942.db2.gz WQANHURLBDRXGY-CHWSQXEVSA-N -2 3 365.415 0.882 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590505833 1283576286 /nfs/dbraw/zinc/57/62/86/1283576286.db2.gz WLRAUAPHBIUNKF-CMPLNLGQSA-N -2 3 351.388 0.883 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590505833 1283576291 /nfs/dbraw/zinc/57/62/91/1283576291.db2.gz WLRAUAPHBIUNKF-CMPLNLGQSA-N -2 3 351.388 0.883 20 0 FCADHL CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590621487 1283656507 /nfs/dbraw/zinc/65/65/07/1283656507.db2.gz KPGNPHQKJRRDBR-UHFFFAOYSA-N -2 3 355.376 0.361 20 0 FCADHL CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590621487 1283656522 /nfs/dbraw/zinc/65/65/22/1283656522.db2.gz KPGNPHQKJRRDBR-UHFFFAOYSA-N -2 3 355.376 0.361 20 0 FCADHL CCCSCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590650298 1283701620 /nfs/dbraw/zinc/70/16/20/1283701620.db2.gz LJKFOWCXQJFKSK-UHFFFAOYSA-N -2 3 355.445 0.956 20 0 FCADHL CCCSCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590650298 1283701627 /nfs/dbraw/zinc/70/16/27/1283701627.db2.gz LJKFOWCXQJFKSK-UHFFFAOYSA-N -2 3 355.445 0.956 20 0 FCADHL CCCc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[nH]n1 ZINC001590657075 1283707162 /nfs/dbraw/zinc/70/71/62/1283707162.db2.gz GGGSWENBBOLINE-UHFFFAOYSA-N -2 3 361.387 0.661 20 0 FCADHL CCCc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[nH]n1 ZINC001590657075 1283707173 /nfs/dbraw/zinc/70/71/73/1283707173.db2.gz GGGSWENBBOLINE-UHFFFAOYSA-N -2 3 361.387 0.661 20 0 FCADHL CCCc1nc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)co1 ZINC001590660031 1283710860 /nfs/dbraw/zinc/71/08/60/1283710860.db2.gz FUJOVSOSTQZSJS-UHFFFAOYSA-N -2 3 362.371 0.926 20 0 FCADHL CCCc1nc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)co1 ZINC001590660031 1283710866 /nfs/dbraw/zinc/71/08/66/1283710866.db2.gz FUJOVSOSTQZSJS-UHFFFAOYSA-N -2 3 362.371 0.926 20 0 FCADHL CCN(CC)S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590688827 1283733190 /nfs/dbraw/zinc/73/31/90/1283733190.db2.gz WYPMVCXZNZXFJA-UHFFFAOYSA-N -2 3 364.431 0.601 20 0 FCADHL CCN(CC)S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590688827 1283733196 /nfs/dbraw/zinc/73/31/96/1283733196.db2.gz WYPMVCXZNZXFJA-UHFFFAOYSA-N -2 3 364.431 0.601 20 0 FCADHL CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590789881 1283845428 /nfs/dbraw/zinc/84/54/28/1283845428.db2.gz DBTWNOJFRGYQJE-NWDGAFQWSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590789881 1283845439 /nfs/dbraw/zinc/84/54/39/1283845439.db2.gz DBTWNOJFRGYQJE-NWDGAFQWSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[N-]C(=O)CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001590819311 1283899551 /nfs/dbraw/zinc/89/95/51/1283899551.db2.gz PLSVDFVQLAIJLI-UHFFFAOYSA-N -2 3 362.390 0.600 20 0 FCADHL CCO[N-]C(=O)CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001590819311 1283899556 /nfs/dbraw/zinc/89/95/56/1283899556.db2.gz PLSVDFVQLAIJLI-UHFFFAOYSA-N -2 3 362.390 0.600 20 0 FCADHL CN(C)C(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)ccn1 ZINC001591004448 1284066410 /nfs/dbraw/zinc/06/64/10/1284066410.db2.gz COIDJJYVCWBZQQ-UHFFFAOYSA-N -2 3 353.342 0.921 20 0 FCADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC001591029238 1284088850 /nfs/dbraw/zinc/08/88/50/1284088850.db2.gz BPLCVLJRMDDERY-UHFFFAOYSA-N -2 3 374.430 0.876 20 0 FCADHL COC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC001591271274 1284425769 /nfs/dbraw/zinc/42/57/69/1284425769.db2.gz BGPZIRRWKZVZJD-UHFFFAOYSA-N -2 3 374.382 0.778 20 0 FCADHL COC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001591271274 1284425774 /nfs/dbraw/zinc/42/57/74/1284425774.db2.gz BGPZIRRWKZVZJD-UHFFFAOYSA-N -2 3 374.382 0.778 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cn1 ZINC001591296740 1284449903 /nfs/dbraw/zinc/44/99/03/1284449903.db2.gz RFKVQBVFUJPLDR-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC001591296740 1284449910 /nfs/dbraw/zinc/44/99/10/1284449910.db2.gz RFKVQBVFUJPLDR-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001591313844 1284464235 /nfs/dbraw/zinc/46/42/35/1284464235.db2.gz DOVCVWKMXFZMGL-AWEZNQCLSA-N -2 3 366.403 0.067 20 0 FCADHL CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001591327435 1284473106 /nfs/dbraw/zinc/47/31/06/1284473106.db2.gz QFWONDHIBLIEGC-NSHDSACASA-N -2 3 354.392 0.128 20 0 FCADHL CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001591327435 1284473110 /nfs/dbraw/zinc/47/31/10/1284473110.db2.gz QFWONDHIBLIEGC-NSHDSACASA-N -2 3 354.392 0.128 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1sccc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC001591333261 1284475799 /nfs/dbraw/zinc/47/57/99/1284475799.db2.gz KJKSROOCJFUDEV-SCZZXKLOSA-N -2 3 359.433 0.721 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC001591390579 1284528656 /nfs/dbraw/zinc/52/86/56/1284528656.db2.gz JIRIISAVYXPNSM-UHFFFAOYSA-N -2 3 351.388 0.414 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC001591390579 1284528662 /nfs/dbraw/zinc/52/86/62/1284528662.db2.gz JIRIISAVYXPNSM-UHFFFAOYSA-N -2 3 351.388 0.414 20 0 FCADHL COCCO[N-]C(=O)COc1cccc(Br)c1-c1nnn[n-]1 ZINC001591439239 1284593197 /nfs/dbraw/zinc/59/31/97/1284593197.db2.gz GILOYQHGCZEKKB-UHFFFAOYSA-N -2 3 372.179 0.702 20 0 FCADHL COCCO[N-]C(=O)COc1cccc(Br)c1-c1nn[n-]n1 ZINC001591439239 1284593201 /nfs/dbraw/zinc/59/32/01/1284593201.db2.gz GILOYQHGCZEKKB-UHFFFAOYSA-N -2 3 372.179 0.702 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001591500640 1284680026 /nfs/dbraw/zinc/68/00/26/1284680026.db2.gz XIOCXCYGWPURFD-MNOVXSKESA-N -2 3 361.358 0.624 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1 ZINC001591504714 1284684677 /nfs/dbraw/zinc/68/46/77/1284684677.db2.gz CHXNOVXKRNGGGZ-MRVPVSSYSA-N -2 3 367.387 0.217 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1 ZINC001591504714 1284684682 /nfs/dbraw/zinc/68/46/82/1284684682.db2.gz CHXNOVXKRNGGGZ-MRVPVSSYSA-N -2 3 367.387 0.217 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)CC2CCC2)ccc1-c1nnn[n-]1 ZINC001591515742 1284707677 /nfs/dbraw/zinc/70/76/77/1284707677.db2.gz LPLWYCBFJCFKQP-UHFFFAOYSA-N -2 3 351.388 0.735 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)CC2CCC2)ccc1-c1nn[n-]n1 ZINC001591515742 1284707687 /nfs/dbraw/zinc/70/76/87/1284707687.db2.gz LPLWYCBFJCFKQP-UHFFFAOYSA-N -2 3 351.388 0.735 20 0 FCADHL COc1cc(C)ccc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001591520915 1284709959 /nfs/dbraw/zinc/70/99/59/1284709959.db2.gz DDUMFNRUHWNDBI-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1cc(C)ccc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001591520915 1284709971 /nfs/dbraw/zinc/70/99/71/1284709971.db2.gz DDUMFNRUHWNDBI-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591522685 1284710190 /nfs/dbraw/zinc/71/01/90/1284710190.db2.gz WJFULNKEIHFWGB-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591522685 1284710200 /nfs/dbraw/zinc/71/02/00/1284710200.db2.gz WJFULNKEIHFWGB-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001591568360 1284743231 /nfs/dbraw/zinc/74/32/31/1284743231.db2.gz XXVNATQMEADXJV-QLJPJBMISA-N -2 3 374.357 0.440 20 0 FCADHL COc1ccc(CNC(=O)C(=O)[N-]OC2CCCCC2)cc1-c1nnn[n-]1 ZINC001591591654 1284758588 /nfs/dbraw/zinc/75/85/88/1284758588.db2.gz RMFQXTRYNVLKBV-UHFFFAOYSA-N -2 3 374.401 0.872 20 0 FCADHL COc1ccc(CNC(=O)C(=O)[N-]OC2CCCCC2)cc1-c1nn[n-]n1 ZINC001591591654 1284758601 /nfs/dbraw/zinc/75/86/01/1284758601.db2.gz RMFQXTRYNVLKBV-UHFFFAOYSA-N -2 3 374.401 0.872 20 0 FCADHL C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001591683574 1284825989 /nfs/dbraw/zinc/82/59/89/1284825989.db2.gz GPIVHAAEPYPCFS-HSZRJFAPSA-N -2 3 364.412 0.800 20 0 FCADHL C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001591683574 1284825995 /nfs/dbraw/zinc/82/59/95/1284825995.db2.gz GPIVHAAEPYPCFS-HSZRJFAPSA-N -2 3 364.412 0.800 20 0 FCADHL CSCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1)C(=O)[O-] ZINC001591701201 1284839875 /nfs/dbraw/zinc/83/98/75/1284839875.db2.gz GZEHTLPMILKOFC-NSHDSACASA-N -2 3 371.444 0.660 20 0 FCADHL CSCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1)C(=O)[O-] ZINC001591701201 1284839878 /nfs/dbraw/zinc/83/98/78/1284839878.db2.gz GZEHTLPMILKOFC-NSHDSACASA-N -2 3 371.444 0.660 20 0 FCADHL CSCC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)[O-] ZINC001591700383 1284840203 /nfs/dbraw/zinc/84/02/03/1284840203.db2.gz ORMOWVGVKKKXEH-ZCFIWIBFSA-N -2 3 363.446 0.413 20 0 FCADHL Cc1c(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cccc1-c1nnn[n-]1 ZINC001591824660 1284932862 /nfs/dbraw/zinc/93/28/62/1284932862.db2.gz NJPGNOMPWQDSFI-LLVKDONJSA-N -2 3 360.374 0.587 20 0 FCADHL Cc1c(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cccc1-c1nn[n-]n1 ZINC001591824660 1284932870 /nfs/dbraw/zinc/93/28/70/1284932870.db2.gz NJPGNOMPWQDSFI-LLVKDONJSA-N -2 3 360.374 0.587 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC001591870771 1284958155 /nfs/dbraw/zinc/95/81/55/1284958155.db2.gz QMKRNNSCHDUMCB-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC001591870771 1284958157 /nfs/dbraw/zinc/95/81/57/1284958157.db2.gz QMKRNNSCHDUMCB-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001591883673 1284972648 /nfs/dbraw/zinc/97/26/48/1284972648.db2.gz AINUIBBQORFMND-NEPJUHHUSA-N -2 3 368.401 0.998 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c1 ZINC001591883674 1284973334 /nfs/dbraw/zinc/97/33/34/1284973334.db2.gz AINUIBBQORFMND-NWDGAFQWSA-N -2 3 368.401 0.998 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)ns1 ZINC001591929847 1285016334 /nfs/dbraw/zinc/01/63/34/1285016334.db2.gz PGGACEWYQKXUHC-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)ns1 ZINC001591929847 1285016341 /nfs/dbraw/zinc/01/63/41/1285016341.db2.gz PGGACEWYQKXUHC-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001591989706 1285044427 /nfs/dbraw/zinc/04/44/27/1285044427.db2.gz YLQLBNXIDBDRFY-SCZZXKLOSA-N -2 3 369.378 0.798 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001591989708 1285045640 /nfs/dbraw/zinc/04/56/40/1285045640.db2.gz YLQLBNXIDBDRFY-WPRPVWTQSA-N -2 3 369.378 0.798 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2ccnc3ncnn32)ccc1-c1nnn[n-]1 ZINC001592064969 1285104061 /nfs/dbraw/zinc/10/40/61/1285104061.db2.gz QEBLGMOXGXHEIE-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2ccnc3ncnn32)ccc1-c1nn[n-]n1 ZINC001592064969 1285104073 /nfs/dbraw/zinc/10/40/73/1285104073.db2.gz QEBLGMOXGXHEIE-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592066547 1285106427 /nfs/dbraw/zinc/10/64/27/1285106427.db2.gz ZBXSYOJAHOOERB-JTQLQIEISA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592066547 1285106433 /nfs/dbraw/zinc/10/64/33/1285106433.db2.gz ZBXSYOJAHOOERB-JTQLQIEISA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592066548 1285108585 /nfs/dbraw/zinc/10/85/85/1285108585.db2.gz ZBXSYOJAHOOERB-SNVBAGLBSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592066548 1285108588 /nfs/dbraw/zinc/10/85/88/1285108588.db2.gz ZBXSYOJAHOOERB-SNVBAGLBSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001592109369 1285142893 /nfs/dbraw/zinc/14/28/93/1285142893.db2.gz HWRUMPUBNKIVNY-LLVKDONJSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001592128382 1285156966 /nfs/dbraw/zinc/15/69/66/1285156966.db2.gz RLSBYDKUKGMVFG-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001592128382 1285156969 /nfs/dbraw/zinc/15/69/69/1285156969.db2.gz RLSBYDKUKGMVFG-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c(C)c1 ZINC001592128001 1285156980 /nfs/dbraw/zinc/15/69/80/1285156980.db2.gz FKWOWTSFWISKHJ-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c(C)c1 ZINC001592128001 1285156984 /nfs/dbraw/zinc/15/69/84/1285156984.db2.gz FKWOWTSFWISKHJ-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)cc1-c1nnn[n-]1 ZINC001592164440 1285169043 /nfs/dbraw/zinc/16/90/43/1285169043.db2.gz PSYIFLLUQFAPMH-UHFFFAOYSA-N -2 3 350.342 0.441 20 0 FCADHL Cc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)cc1-c1nn[n-]n1 ZINC001592164440 1285169047 /nfs/dbraw/zinc/16/90/47/1285169047.db2.gz PSYIFLLUQFAPMH-UHFFFAOYSA-N -2 3 350.342 0.441 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592190640 1285174990 /nfs/dbraw/zinc/17/49/90/1285174990.db2.gz VREPIQHSUBCNJT-VIFPVBQESA-N -2 3 355.401 0.323 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592190640 1285174994 /nfs/dbraw/zinc/17/49/94/1285174994.db2.gz VREPIQHSUBCNJT-VIFPVBQESA-N -2 3 355.401 0.323 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC001592213378 1285182333 /nfs/dbraw/zinc/18/23/33/1285182333.db2.gz PXGMKZUMYLPIHS-VIFPVBQESA-N -2 3 355.401 0.323 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC001592213378 1285182336 /nfs/dbraw/zinc/18/23/36/1285182336.db2.gz PXGMKZUMYLPIHS-VIFPVBQESA-N -2 3 355.401 0.323 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC([C@H](C)C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001592239752 1285196432 /nfs/dbraw/zinc/19/64/32/1285196432.db2.gz SLBLVEAEBAXDLI-VIFPVBQESA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC([C@H](C)C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001592239752 1285196435 /nfs/dbraw/zinc/19/64/35/1285196435.db2.gz SLBLVEAEBAXDLI-VIFPVBQESA-N -2 3 351.388 0.516 20 0 FCADHL Cc1[nH]nc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1-c1nnn[n-]1 ZINC001592331392 1285240212 /nfs/dbraw/zinc/24/02/12/1285240212.db2.gz DIFULYSSKNAZGX-UHFFFAOYSA-N -2 3 359.322 0.161 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1-c1nnn[n-]1 ZINC001592415399 1285338112 /nfs/dbraw/zinc/33/81/12/1285338112.db2.gz YOABTHOYDFBDKF-UHFFFAOYSA-N -2 3 356.318 0.963 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1-c1nn[n-]n1 ZINC001592415399 1285338117 /nfs/dbraw/zinc/33/81/17/1285338117.db2.gz YOABTHOYDFBDKF-UHFFFAOYSA-N -2 3 356.318 0.963 20 0 FCADHL CN(Cc1cc(-c2nnn[n-]2)cs1)c1nnc(-c2cc(=O)n(C)[n-]2)n1C ZINC001604802025 1287785970 /nfs/dbraw/zinc/78/59/70/1287785970.db2.gz YKXZTNWPUBIEPF-UHFFFAOYSA-N -2 3 372.418 0.799 20 0 FCADHL CN(Cc1cc(-c2nn[n-]n2)cs1)c1nnc(-c2cc(=O)n(C)[n-]2)n1C ZINC001604802025 1287785975 /nfs/dbraw/zinc/78/59/75/1287785975.db2.gz YKXZTNWPUBIEPF-UHFFFAOYSA-N -2 3 372.418 0.799 20 0 FCADHL Cn1nc(C(=O)[O-])cc1CN1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592593515 1285527301 /nfs/dbraw/zinc/52/73/01/1285527301.db2.gz HUFVINJXCDMLKY-HNNXBMFYSA-N -2 3 369.385 0.872 20 0 FCADHL Cn1nc(C(=O)[O-])cc1CN1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592593515 1285527309 /nfs/dbraw/zinc/52/73/09/1285527309.db2.gz HUFVINJXCDMLKY-HNNXBMFYSA-N -2 3 369.385 0.872 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001592606817 1285547949 /nfs/dbraw/zinc/54/79/49/1285547949.db2.gz LHMYAKGKPPQIFP-VOTSOKGWSA-N -2 3 359.371 0.119 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001592606817 1285547958 /nfs/dbraw/zinc/54/79/58/1285547958.db2.gz LHMYAKGKPPQIFP-VOTSOKGWSA-N -2 3 359.371 0.119 20 0 FCADHL NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592716832 1285608233 /nfs/dbraw/zinc/60/82/33/1285608233.db2.gz LVZSAKCSGSYQSR-VXGBXAGGSA-N -2 3 369.389 0.096 20 0 FCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592736793 1285650364 /nfs/dbraw/zinc/65/03/64/1285650364.db2.gz GNQRPKQBUYNBLB-UHFFFAOYSA-N -2 3 372.366 0.084 20 0 FCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592736793 1285650371 /nfs/dbraw/zinc/65/03/71/1285650371.db2.gz GNQRPKQBUYNBLB-UHFFFAOYSA-N -2 3 372.366 0.084 20 0 FCADHL O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)[N-]C(=O)c1ccccc1 ZINC001592883825 1285789631 /nfs/dbraw/zinc/78/96/31/1285789631.db2.gz KXMZPCLGOYJMRP-UHFFFAOYSA-N -2 3 352.310 0.375 20 0 FCADHL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)COc3ccc(-c4nn[n-]n4)cc3)[C@@H]2C1 ZINC001592889731 1285795438 /nfs/dbraw/zinc/79/54/38/1285795438.db2.gz WVDCCZKELIHDAR-OXHZDVMGSA-N -2 3 357.370 0.861 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001592906267 1285804632 /nfs/dbraw/zinc/80/46/32/1285804632.db2.gz HEYSGXFUMFGRJR-UHFFFAOYSA-N -2 3 373.402 0.996 20 0 FCADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCc1n[n-]c(=S)o1 ZINC001592904902 1285805416 /nfs/dbraw/zinc/80/54/16/1285805416.db2.gz MRBHUMOLBPRHDF-UHFFFAOYSA-N -2 3 363.428 0.989 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC001592911721 1285808003 /nfs/dbraw/zinc/80/80/03/1285808003.db2.gz XTCBERFEEJCOBW-GFCCVEGCSA-N -2 3 365.415 0.282 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC001592911721 1285808010 /nfs/dbraw/zinc/80/80/10/1285808010.db2.gz XTCBERFEEJCOBW-GFCCVEGCSA-N -2 3 365.415 0.282 20 0 FCADHL O=C(Cn1cc(Br)cn1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592937283 1285826291 /nfs/dbraw/zinc/82/62/91/1285826291.db2.gz ZFYWGCVBRWJNHW-UHFFFAOYSA-N -2 3 364.163 0.936 20 0 FCADHL O=C(Cn1cc(Br)cn1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592937283 1285826298 /nfs/dbraw/zinc/82/62/98/1285826298.db2.gz ZFYWGCVBRWJNHW-UHFFFAOYSA-N -2 3 364.163 0.936 20 0 FCADHL O=C(NCC=CCNc1ncccc1-c1nnn[n-]1)c1ncccc1[O-] ZINC001593055166 1285948182 /nfs/dbraw/zinc/94/81/82/1285948182.db2.gz KHCHKALCQYUFQZ-UPHRSURJSA-N -2 3 352.358 0.760 20 0 FCADHL O=C(NCC=CCNc1ncccc1-c1nn[n-]n1)c1ncccc1[O-] ZINC001593055166 1285948188 /nfs/dbraw/zinc/94/81/88/1285948188.db2.gz KHCHKALCQYUFQZ-UPHRSURJSA-N -2 3 352.358 0.760 20 0 FCADHL O=C([O-])[C@H](CNC(=O)C(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001593142305 1286018431 /nfs/dbraw/zinc/01/84/31/1286018431.db2.gz YLRQYDYYHFZGHS-CYBMUJFWSA-N -2 3 372.385 0.100 20 0 FCADHL O=C([O-])[C@H](CNC(=O)C(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001593142305 1286018433 /nfs/dbraw/zinc/01/84/33/1286018433.db2.gz YLRQYDYYHFZGHS-CYBMUJFWSA-N -2 3 372.385 0.100 20 0 FCADHL O=C([N-]S(=O)(=O)[C@@H]1CCOC1)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001593170426 1286025575 /nfs/dbraw/zinc/02/55/75/1286025575.db2.gz KEQLIAPMCUDTNX-GFCCVEGCSA-N -2 3 363.399 0.133 20 0 FCADHL O=C([N-]S(=O)(=O)[C@@H]1CCOC1)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001593170426 1286025579 /nfs/dbraw/zinc/02/55/79/1286025579.db2.gz KEQLIAPMCUDTNX-GFCCVEGCSA-N -2 3 363.399 0.133 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN1c1ncccn1 ZINC001593170364 1286026155 /nfs/dbraw/zinc/02/61/55/1286026155.db2.gz GOWVQBZQYSDKKH-ZDUSSCGKSA-N -2 3 352.358 0.736 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCN1c1ncccn1 ZINC001593170364 1286026156 /nfs/dbraw/zinc/02/61/56/1286026156.db2.gz GOWVQBZQYSDKKH-ZDUSSCGKSA-N -2 3 352.358 0.736 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC001593273995 1286057617 /nfs/dbraw/zinc/05/76/17/1286057617.db2.gz KRYXTXUQPAWOKL-CPFSXVBKSA-N -2 3 369.790 0.615 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCCC1 ZINC001593276045 1286059363 /nfs/dbraw/zinc/05/93/63/1286059363.db2.gz JDTMGNJKZGWEMG-UHFFFAOYSA-N -2 3 369.378 0.929 20 0 FCADHL O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CO1 ZINC001593278184 1286060028 /nfs/dbraw/zinc/06/00/28/1286060028.db2.gz UMRAUKWMSXIFRZ-SOUVJXGZSA-N -2 3 371.397 0.720 20 0 FCADHL O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CO1 ZINC001593278184 1286060031 /nfs/dbraw/zinc/06/00/31/1286060031.db2.gz UMRAUKWMSXIFRZ-SOUVJXGZSA-N -2 3 371.397 0.720 20 0 FCADHL O=C([O-])C[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001593278077 1286060231 /nfs/dbraw/zinc/06/02/31/1286060231.db2.gz PYUKQWYJTBJYDQ-SECBINFHSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])CCCCCNC(=O)C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001593277971 1286060468 /nfs/dbraw/zinc/06/04/68/1286060468.db2.gz LLACQAXVGPMDKC-UHFFFAOYSA-N -2 3 374.401 0.287 20 0 FCADHL O=C([O-])CCCCCNC(=O)C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001593277971 1286060473 /nfs/dbraw/zinc/06/04/73/1286060473.db2.gz LLACQAXVGPMDKC-UHFFFAOYSA-N -2 3 374.401 0.287 20 0 FCADHL O=C([O-])[C@H](CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001593276848 1286060520 /nfs/dbraw/zinc/06/05/20/1286060520.db2.gz VDVGGBSIKMIBRM-LLVKDONJSA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])[C@H](CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001593276848 1286060526 /nfs/dbraw/zinc/06/05/26/1286060526.db2.gz VDVGGBSIKMIBRM-LLVKDONJSA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])CC1CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001593278097 1286060844 /nfs/dbraw/zinc/06/08/44/1286060844.db2.gz QQJBMQRBCZBAGX-UHFFFAOYSA-N -2 3 365.415 0.883 20 0 FCADHL O=C([O-])CC1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001593278097 1286060846 /nfs/dbraw/zinc/06/08/46/1286060846.db2.gz QQJBMQRBCZBAGX-UHFFFAOYSA-N -2 3 365.415 0.883 20 0 FCADHL O=C([O-])CC1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC001593278149 1286060877 /nfs/dbraw/zinc/06/08/77/1286060877.db2.gz SVBWCIWCLDJWIF-UHFFFAOYSA-N -2 3 351.388 0.742 20 0 FCADHL O=C([O-])CC1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC001593278149 1286060878 /nfs/dbraw/zinc/06/08/78/1286060878.db2.gz SVBWCIWCLDJWIF-UHFFFAOYSA-N -2 3 351.388 0.742 20 0 FCADHL O=C([O-])[C@H]1CSCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593279090 1286061696 /nfs/dbraw/zinc/06/16/96/1286061696.db2.gz PWFFRNPLRRSVRS-SNVBAGLBSA-N -2 3 355.401 0.156 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001593279298 1286062181 /nfs/dbraw/zinc/06/21/81/1286062181.db2.gz CWCJJVJOXNLLGC-NEPJUHHUSA-N -2 3 351.388 0.788 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001593279298 1286062182 /nfs/dbraw/zinc/06/21/82/1286062182.db2.gz CWCJJVJOXNLLGC-NEPJUHHUSA-N -2 3 351.388 0.788 20 0 FCADHL O=S(=O)([N-]CC1(CO)CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593432625 1286154422 /nfs/dbraw/zinc/15/44/22/1286154422.db2.gz OUASEPYFGLXCME-UHFFFAOYSA-N -2 3 373.385 0.976 20 0 FCADHL O=S(=O)([N-]N=c1nc[nH]c2ccsc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593444198 1286160035 /nfs/dbraw/zinc/16/00/35/1286160035.db2.gz FUXPAKFZQOHHPR-UHFFFAOYSA-N -2 3 364.372 0.770 20 0 FCADHL O=S(=O)([N-]N=c1nc[nH]c2ccsc21)c1ccc(-c2nnn[n-]2)o1 ZINC001593444198 1286160040 /nfs/dbraw/zinc/16/00/40/1286160040.db2.gz FUXPAKFZQOHHPR-UHFFFAOYSA-N -2 3 364.372 0.770 20 0 FCADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001609291107 1289057709 /nfs/dbraw/zinc/05/77/09/1289057709.db2.gz RMCVCIAQVZTBSI-UHFFFAOYSA-N -2 3 364.343 0.326 20 0 FCADHL O=c1cc(CN2CCc3ncsc3C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593539256 1286199407 /nfs/dbraw/zinc/19/94/07/1286199407.db2.gz WKSDOFHUVNQCAB-UHFFFAOYSA-N -2 3 355.387 0.630 20 0 FCADHL O=c1cc(CN2CCC[C@H]2c2ncc[nH]2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593539061 1286199967 /nfs/dbraw/zinc/19/99/67/1286199967.db2.gz PZHFKUIUCAKSBC-NSHDSACASA-N -2 3 352.362 0.675 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)C2)n1 ZINC001600064318 1286435364 /nfs/dbraw/zinc/43/53/64/1286435364.db2.gz LQINQFSYSRFBGI-FRRDWIJNSA-N -2 3 364.402 0.598 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3cccc(C(=O)[O-])n3)C2)n1 ZINC001600064880 1286435398 /nfs/dbraw/zinc/43/53/98/1286435398.db2.gz IFFVSPLRVSJKLG-NSHDSACASA-N -2 3 357.370 0.983 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)oc1C(=O)[O-] ZINC001600299567 1286472766 /nfs/dbraw/zinc/47/27/66/1286472766.db2.gz ZVEYQKBBCWREGB-ZJUUUORDSA-N -2 3 360.388 0.200 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](c2ccnn2C)C(C)C)c1C(=O)[O-] ZINC001600672927 1286524006 /nfs/dbraw/zinc/52/40/06/1286524006.db2.gz LAWCKGICWKSEHQ-JTQLQIEISA-N -2 3 355.420 0.868 20 0 FCADHL COC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609307816 1289080420 /nfs/dbraw/zinc/08/04/20/1289080420.db2.gz RLPNOEWRIFGSQP-UHFFFAOYSA-N -2 3 353.404 0.628 20 0 FCADHL COC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609307816 1289080425 /nfs/dbraw/zinc/08/04/25/1289080425.db2.gz RLPNOEWRIFGSQP-UHFFFAOYSA-N -2 3 353.404 0.628 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@@H]23)c1C(=O)[O-] ZINC001600672559 1286524048 /nfs/dbraw/zinc/52/40/48/1286524048.db2.gz FZEZGWDWDGUNAG-UWVGGRQHSA-N -2 3 360.461 0.274 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2cccc3c2OCCO3)c1C(=O)[O-] ZINC001600673497 1286525267 /nfs/dbraw/zinc/52/52/67/1286525267.db2.gz GQRSNMOMUUERKY-UHFFFAOYSA-N -2 3 353.356 0.666 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCN2CCc3ccccc3C2)c1C(=O)[O-] ZINC001600673236 1286525413 /nfs/dbraw/zinc/52/54/13/1286525413.db2.gz CWNDIKCYZUJHHQ-UHFFFAOYSA-N -2 3 364.427 0.753 20 0 FCADHL Cc1nc(C)c(CC(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)c(=O)[n-]1 ZINC001600691514 1286527034 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361.445 0.959 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC(=O)Nc1ccc(F)c(F)c1 ZINC001601327990 1286729003 /nfs/dbraw/zinc/72/90/03/1286729003.db2.gz YEEDVGWHKHEUGM-UHFFFAOYSA-N -2 3 360.298 0.303 20 0 FCADHL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)[C@@H]2C1 ZINC001601442440 1286750662 /nfs/dbraw/zinc/75/06/62/1286750662.db2.gz CXMYXUNQVRNRFT-SJHCENCUSA-N -2 3 361.402 0.559 20 0 FCADHL O=C(NCc1ccc([O-])c(Br)c1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601540382 1286782450 /nfs/dbraw/zinc/78/24/50/1286782450.db2.gz ZJWHLXDIQYVWJM-KYZUINATSA-N -2 3 371.187 0.750 20 0 FCADHL O=C([O-])[C@H](CC1OCCO1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001601646941 1286799977 /nfs/dbraw/zinc/79/99/77/1286799977.db2.gz ZFEUDDFPVXQOIJ-QMMMGPOBSA-N -2 3 371.198 0.883 20 0 FCADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC001601649856 1286800431 /nfs/dbraw/zinc/80/04/31/1286800431.db2.gz ZSZGEIIOOFJVLZ-ZCFIWIBFSA-N -2 3 361.319 0.384 20 0 FCADHL 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O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC(=O)N1CCCc2ccccc21 ZINC001602506732 1287019004 /nfs/dbraw/zinc/01/90/04/1287019004.db2.gz NXIRLKMOPZBSTB-UHFFFAOYSA-N -2 3 364.383 0.366 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2(N3CCOCC3)CCOCC2)c1 ZINC001602556077 1287025850 /nfs/dbraw/zinc/02/58/50/1287025850.db2.gz CMVRLXMVHFFCOA-UHFFFAOYSA-N -2 3 374.415 0.138 20 0 FCADHL O=C([O-])C1CCN(C(=O)COC(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC001602610664 1287034956 /nfs/dbraw/zinc/03/49/56/1287034956.db2.gz GDTJFXSAYZOPSH-UHFFFAOYSA-N -2 3 350.306 0.577 20 0 FCADHL O=C([O-])C1CCN(C(=O)COC(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC001602610664 1287034965 /nfs/dbraw/zinc/03/49/65/1287034965.db2.gz GDTJFXSAYZOPSH-UHFFFAOYSA-N -2 3 350.306 0.577 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cnn1C ZINC001609380904 1289131874 /nfs/dbraw/zinc/13/18/74/1289131874.db2.gz YVXYTANYIBDPBL-UHFFFAOYSA-N -2 3 361.387 0.168 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cnn1C ZINC001609380904 1289131880 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365.415 0.628 20 0 FCADHL COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001604996321 1287830845 /nfs/dbraw/zinc/83/08/45/1287830845.db2.gz WURFABWUUOTIQN-UHFFFAOYSA-N -2 3 368.419 0.445 20 0 FCADHL COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001604996321 1287830849 /nfs/dbraw/zinc/83/08/49/1287830849.db2.gz WURFABWUUOTIQN-UHFFFAOYSA-N -2 3 368.419 0.445 20 0 FCADHL CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001605005864 1287834276 /nfs/dbraw/zinc/83/42/76/1287834276.db2.gz RYPCQRSCMRXVJF-GHMZBOCLSA-N -2 3 367.431 0.526 20 0 FCADHL CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605005864 1287834279 /nfs/dbraw/zinc/83/42/79/1287834279.db2.gz RYPCQRSCMRXVJF-GHMZBOCLSA-N -2 3 367.431 0.526 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)CSC(C)C ZINC001605187820 1287903565 /nfs/dbraw/zinc/90/35/65/1287903565.db2.gz ABXSXPRCSXTYRE-UHFFFAOYSA-N -2 3 371.444 0.822 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)CSC(C)C ZINC001605187820 1287903570 /nfs/dbraw/zinc/90/35/70/1287903570.db2.gz ABXSXPRCSXTYRE-UHFFFAOYSA-N -2 3 371.444 0.822 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)[N-]O[C@H](CO)C(C)C ZINC001605182279 1287904288 /nfs/dbraw/zinc/90/42/88/1287904288.db2.gz DWMOPGXKPKWQMI-CYBMUJFWSA-N -2 3 351.363 0.319 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)[N-]O[C@H](CO)C(C)C ZINC001605182279 1287904293 /nfs/dbraw/zinc/90/42/93/1287904293.db2.gz DWMOPGXKPKWQMI-CYBMUJFWSA-N -2 3 351.363 0.319 20 0 FCADHL COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001605351919 1287932710 /nfs/dbraw/zinc/93/27/10/1287932710.db2.gz DLIYYMRLPJMQRV-UHFFFAOYSA-N -2 3 353.339 0.549 20 0 FCADHL COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001605351919 1287932715 /nfs/dbraw/zinc/93/27/15/1287932715.db2.gz DLIYYMRLPJMQRV-UHFFFAOYSA-N -2 3 353.339 0.549 20 0 FCADHL CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605508498 1287986250 /nfs/dbraw/zinc/98/62/50/1287986250.db2.gz KNAGFXPYNVYKAJ-TUAOUCFPSA-N -2 3 363.432 0.660 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001605552710 1287999120 /nfs/dbraw/zinc/99/91/20/1287999120.db2.gz SJOAJOFZECZHEF-JFGNBEQYSA-N -2 3 362.415 0.818 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001605552710 1287999122 /nfs/dbraw/zinc/99/91/22/1287999122.db2.gz SJOAJOFZECZHEF-JFGNBEQYSA-N -2 3 362.415 0.818 20 0 FCADHL CCOC(=O)c1cn(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC001605577314 1288016877 /nfs/dbraw/zinc/01/68/77/1288016877.db2.gz HNFYRLGNMBIYFC-UHFFFAOYSA-N -2 3 357.344 0.330 20 0 FCADHL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001605634331 1288042017 /nfs/dbraw/zinc/04/20/17/1288042017.db2.gz SMIXWSUPTVGTHF-UHFFFAOYSA-N -2 3 373.398 0.778 20 0 FCADHL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001605634331 1288042025 /nfs/dbraw/zinc/04/20/25/1288042025.db2.gz SMIXWSUPTVGTHF-UHFFFAOYSA-N -2 3 373.398 0.778 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001605801271 1288087950 /nfs/dbraw/zinc/08/79/50/1288087950.db2.gz AFXUQYRIMLZPNZ-LBPRGKRZSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001605801271 1288087957 /nfs/dbraw/zinc/08/79/57/1288087957.db2.gz AFXUQYRIMLZPNZ-LBPRGKRZSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCc1ccncn1 ZINC001605801892 1288089131 /nfs/dbraw/zinc/08/91/31/1288089131.db2.gz LQSSYOYGASBITL-UHFFFAOYSA-N -2 3 373.398 0.403 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCc1ccncn1 ZINC001605801892 1288089139 /nfs/dbraw/zinc/08/91/39/1288089139.db2.gz LQSSYOYGASBITL-UHFFFAOYSA-N -2 3 373.398 0.403 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001605802334 1288091917 /nfs/dbraw/zinc/09/19/17/1288091917.db2.gz YNKOVAJSHIFHFE-MWLCHTKSSA-N -2 3 351.388 0.801 20 0 FCADHL CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])c1 ZINC001606006132 1288128224 /nfs/dbraw/zinc/12/82/24/1288128224.db2.gz MXQFFAHMOIMZGS-SECBINFHSA-N -2 3 352.771 0.743 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]c2cnn(-c3ncccc3-c3nnn[n-]3)c2)c[nH]1 ZINC001606091790 1288160788 /nfs/dbraw/zinc/16/07/88/1288160788.db2.gz RSCIOPBAMOVMAE-UHFFFAOYSA-N -2 3 372.374 0.280 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]c2cnn(-c3ncccc3-c3nn[n-]n3)c2)c[nH]1 ZINC001606091790 1288160790 /nfs/dbraw/zinc/16/07/90/1288160790.db2.gz RSCIOPBAMOVMAE-UHFFFAOYSA-N -2 3 372.374 0.280 20 0 FCADHL Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3cccc(-c4nnn[n-]4)n3)C2)cn1 ZINC001606238119 1288225925 /nfs/dbraw/zinc/22/59/25/1288225925.db2.gz XDFUZMCJCNCAND-MNOVXSKESA-N -2 3 354.374 0.690 20 0 FCADHL CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)C1=O ZINC001606259118 1288239920 /nfs/dbraw/zinc/23/99/20/1288239920.db2.gz LMOINGCHHRMDTJ-CQSZACIVSA-N -2 3 361.379 0.771 20 0 FCADHL Cn1[n-]c(C(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCOCC2)cc1=O ZINC001606266723 1288243937 /nfs/dbraw/zinc/24/39/37/1288243937.db2.gz LWVJOKZUDXEYRS-UHFFFAOYSA-N -2 3 369.385 0.742 20 0 FCADHL Cn1[n-]c(C(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCOCC2)cc1=O ZINC001606266723 1288243939 /nfs/dbraw/zinc/24/39/39/1288243939.db2.gz LWVJOKZUDXEYRS-UHFFFAOYSA-N -2 3 369.385 0.742 20 0 FCADHL Cn1[n-]c(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1=O ZINC001606269153 1288245102 /nfs/dbraw/zinc/24/51/02/1288245102.db2.gz JZBYPLMMJGBQKF-UHFFFAOYSA-N -2 3 372.364 0.407 20 0 FCADHL Cn1nccc1CCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001606281797 1288250787 /nfs/dbraw/zinc/25/07/87/1288250787.db2.gz LGBANDZZNAYLQU-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL Cn1nccc1CCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001606281797 1288250793 /nfs/dbraw/zinc/25/07/93/1288250793.db2.gz LGBANDZZNAYLQU-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccnc(C(=O)[O-])c2)c(C)o1 ZINC001606303512 1288259566 /nfs/dbraw/zinc/25/95/66/1288259566.db2.gz GWSJEIRBWFDEGK-UHFFFAOYSA-N -2 3 353.356 0.519 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-])c(C)o1 ZINC001606303756 1288260263 /nfs/dbraw/zinc/26/02/63/1288260263.db2.gz VVVLIOCCOQWOHC-QMMMGPOBSA-N -2 3 361.372 0.721 20 0 FCADHL COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001606342749 1288264232 /nfs/dbraw/zinc/26/42/32/1288264232.db2.gz PNYRERDNPGPSQS-JTQLQIEISA-N -2 3 367.326 0.254 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCC[C@@H](OC)C1 ZINC001606343322 1288265592 /nfs/dbraw/zinc/26/55/92/1288265592.db2.gz UAYFSAFSYFTYKN-KIJLLGNVSA-N -2 3 363.432 0.516 20 0 FCADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001606532672 1288367615 /nfs/dbraw/zinc/36/76/15/1288367615.db2.gz SHXHTLVHULKURO-DTWKUNHWSA-N -2 3 368.342 0.796 20 0 FCADHL O=C(CCc1cncnc1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001606536190 1288369995 /nfs/dbraw/zinc/36/99/95/1288369995.db2.gz UWRZHWLBXVKPHY-UHFFFAOYSA-N -2 3 373.398 0.236 20 0 FCADHL O=C(CCc1cncnc1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001606536190 1288370000 /nfs/dbraw/zinc/37/00/00/1288370000.db2.gz UWRZHWLBXVKPHY-UHFFFAOYSA-N -2 3 373.398 0.236 20 0 FCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@]1(CC(=O)[O-])CCOC1 ZINC001606593264 1288399441 /nfs/dbraw/zinc/39/94/41/1288399441.db2.gz QPSYVCKXPSJIGW-AWEZNQCLSA-N -2 3 361.347 0.524 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC001606594119 1288400616 /nfs/dbraw/zinc/40/06/16/1288400616.db2.gz XPVYOCGNQWKDCP-UHFFFAOYSA-N -2 3 357.342 0.653 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC001606594119 1288400620 /nfs/dbraw/zinc/40/06/20/1288400620.db2.gz XPVYOCGNQWKDCP-UHFFFAOYSA-N -2 3 357.342 0.653 20 0 FCADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001606600636 1288402416 /nfs/dbraw/zinc/40/24/16/1288402416.db2.gz PJAASZQSEDVLPU-LBPRGKRZSA-N -2 3 354.374 0.639 20 0 FCADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001606600636 1288402418 /nfs/dbraw/zinc/40/24/18/1288402418.db2.gz PJAASZQSEDVLPU-LBPRGKRZSA-N -2 3 354.374 0.639 20 0 FCADHL COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606630678 1288416214 /nfs/dbraw/zinc/41/62/14/1288416214.db2.gz GVQYOZDOYCEGNU-UHFFFAOYSA-N -2 3 358.328 0.966 20 0 FCADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)[O-])C1CC1 ZINC001606667848 1288429827 /nfs/dbraw/zinc/42/98/27/1288429827.db2.gz CPPGZUABSYSAFP-WDEREUQCSA-N -3 3 361.372 0.833 20 0 FCADHL O=C([N-]Cc1cn(Cc2ccncc2-c2nnn[n-]2)nn1)C(F)(F)F ZINC001606841940 1288536530 /nfs/dbraw/zinc/53/65/30/1288536530.db2.gz YLCAWTMAVQYMRF-UHFFFAOYSA-N -2 3 353.268 0.080 20 0 FCADHL O=C([N-]Cc1cn(Cc2ccncc2-c2nn[n-]n2)nn1)C(F)(F)F ZINC001606841940 1288536532 /nfs/dbraw/zinc/53/65/32/1288536532.db2.gz YLCAWTMAVQYMRF-UHFFFAOYSA-N -2 3 353.268 0.080 20 0 FCADHL O=C([N-]S(=O)(=O)CCCF)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001606863731 1288542063 /nfs/dbraw/zinc/54/20/63/1288542063.db2.gz NZASDYMVQNIBJD-NWDGAFQWSA-N -2 3 353.379 0.776 20 0 FCADHL O=C([N-]S(=O)(=O)CCCF)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001606863731 1288542067 /nfs/dbraw/zinc/54/20/67/1288542067.db2.gz NZASDYMVQNIBJD-NWDGAFQWSA-N -2 3 353.379 0.776 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001606908278 1288559240 /nfs/dbraw/zinc/55/92/40/1288559240.db2.gz HBXUGLFLZCQWQW-SFYZADRCSA-N -2 3 362.321 0.314 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001606908278 1288559242 /nfs/dbraw/zinc/55/92/42/1288559242.db2.gz HBXUGLFLZCQWQW-SFYZADRCSA-N -2 3 362.321 0.314 20 0 FCADHL O=C([O-])[C@H](C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1CC1 ZINC001606958697 1288574372 /nfs/dbraw/zinc/57/43/72/1288574372.db2.gz DUWKOJWVWUUNDR-ZDUSSCGKSA-N -2 3 357.374 0.021 20 0 FCADHL O=C([O-])[C@H](C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1CC1 ZINC001606958697 1288574374 /nfs/dbraw/zinc/57/43/74/1288574374.db2.gz DUWKOJWVWUUNDR-ZDUSSCGKSA-N -2 3 357.374 0.021 20 0 FCADHL O=C([O-])CN(C1CCC1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001606958473 1288574604 /nfs/dbraw/zinc/57/46/04/1288574604.db2.gz VSKSLDXWWIHANE-UHFFFAOYSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])CN(C1CCC1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001606958473 1288574605 /nfs/dbraw/zinc/57/46/05/1288574605.db2.gz VSKSLDXWWIHANE-UHFFFAOYSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])[C@H](CC(F)F)NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001606960019 1288575388 /nfs/dbraw/zinc/57/53/88/1288575388.db2.gz OHFJUAGIIGCLTQ-VIFPVBQESA-N -2 3 361.330 0.395 20 0 FCADHL O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC001606959969 1288575770 /nfs/dbraw/zinc/57/57/70/1288575770.db2.gz NXSGHJBTGPNOJZ-FUXBKTLASA-N -2 3 369.790 0.615 20 0 FCADHL O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC001606959969 1288575775 /nfs/dbraw/zinc/57/57/75/1288575775.db2.gz NXSGHJBTGPNOJZ-FUXBKTLASA-N -2 3 369.790 0.615 20 0 FCADHL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001606961498 1288576624 /nfs/dbraw/zinc/57/66/24/1288576624.db2.gz SWQYNTSIXDUXSF-LLVKDONJSA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC001606961488 1288576652 /nfs/dbraw/zinc/57/66/52/1288576652.db2.gz SKBFBHXLIRUYNK-GFCCVEGCSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C1CC1 ZINC001606961488 1288576654 /nfs/dbraw/zinc/57/66/54/1288576654.db2.gz SKBFBHXLIRUYNK-GFCCVEGCSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(c3cnccc3-c3nnn[n-]3)CC2)C1 ZINC001606960276 1288576763 /nfs/dbraw/zinc/57/67/63/1288576763.db2.gz PVVGQTGAIZOLSS-SNVBAGLBSA-N -2 3 357.374 0.164 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(c3cnccc3-c3nn[n-]n3)CC2)C1 ZINC001606960276 1288576767 /nfs/dbraw/zinc/57/67/67/1288576767.db2.gz PVVGQTGAIZOLSS-SNVBAGLBSA-N -2 3 357.374 0.164 20 0 FCADHL O=C([O-])c1coc(CNS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001606963163 1288577377 /nfs/dbraw/zinc/57/73/77/1288577377.db2.gz VEPLNIATUBUVTL-UHFFFAOYSA-N -2 3 350.316 0.031 20 0 FCADHL O=C([O-])c1coc(CNS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001606963163 1288577379 /nfs/dbraw/zinc/57/73/79/1288577379.db2.gz VEPLNIATUBUVTL-UHFFFAOYSA-N -2 3 350.316 0.031 20 0 FCADHL O=C([O-])CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001606961626 1288577911 /nfs/dbraw/zinc/57/79/11/1288577911.db2.gz WURKSFDWEXUIRV-UHFFFAOYSA-N -2 3 369.378 0.881 20 0 FCADHL O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1ccccc1-c1nnn[n-]1 ZINC001607056209 1288627043 /nfs/dbraw/zinc/62/70/43/1288627043.db2.gz OGWMIHKPIVNMNN-UHFFFAOYSA-N -2 3 356.367 0.716 20 0 FCADHL O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1ccccc1-c1nn[n-]n1 ZINC001607056209 1288627044 /nfs/dbraw/zinc/62/70/44/1288627044.db2.gz OGWMIHKPIVNMNN-UHFFFAOYSA-N -2 3 356.367 0.716 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001607068606 1288641172 /nfs/dbraw/zinc/64/11/72/1288641172.db2.gz 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0.192 20 0 FCADHL O=C([O-])CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CC1 ZINC000833245448 601632124 /nfs/dbraw/zinc/63/21/24/601632124.db2.gz BBJFNZSGDGJLGO-UHFFFAOYSA-N -2 3 356.375 0.956 20 0 FCADHL COC[C@](C)(NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000831608609 601701577 /nfs/dbraw/zinc/70/15/77/601701577.db2.gz VWNSEWFFOGLAPG-NSHDSACASA-N -2 3 370.836 0.286 20 0 FCADHL C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@H]1C(=O)[O-] ZINC000828341276 601762716 /nfs/dbraw/zinc/76/27/16/601762716.db2.gz PDLBLYHAFYTKBF-JGVFFNPUSA-N -2 3 366.848 0.859 20 0 FCADHL COC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000831631211 601805917 /nfs/dbraw/zinc/80/59/17/601805917.db2.gz BNJULTGRBRSFIO-SNVBAGLBSA-N -2 3 353.194 0.612 20 0 FCADHL CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830519777 602012188 /nfs/dbraw/zinc/01/21/88/602012188.db2.gz VOCGOPVPHDXJHZ-SNVBAGLBSA-N -2 3 372.259 0.785 20 0 FCADHL C[C@@H](CC(=O)NC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000827234611 602136758 /nfs/dbraw/zinc/13/67/58/602136758.db2.gz GGKLPXPXIJLTCJ-IUCAKERBSA-N -2 3 363.823 0.629 20 0 FCADHL CN1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1=O ZINC000312681032 602152318 /nfs/dbraw/zinc/15/23/18/602152318.db2.gz NFINYUPXUSYAOD-YFKPBYRVSA-N -2 3 367.177 0.249 20 0 FCADHL CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000828561018 602329070 /nfs/dbraw/zinc/32/90/70/602329070.db2.gz DDKLVYMOMQSNNS-QMMMGPOBSA-N -2 3 362.354 0.952 20 0 FCADHL O=S(=O)([N-]C[C@H]1CCCC[C@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489914 607644777 /nfs/dbraw/zinc/64/47/77/607644777.db2.gz DGWXNXHRNUTWMD-PRHODGIISA-N -2 3 373.385 0.974 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)nn1C ZINC000826271274 607664229 /nfs/dbraw/zinc/66/42/29/607664229.db2.gz KSATYRZVYHONBF-UHFFFAOYSA-N -2 3 355.330 0.988 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)nn1C ZINC000826271274 607664231 /nfs/dbraw/zinc/66/42/31/607664231.db2.gz KSATYRZVYHONBF-UHFFFAOYSA-N -2 3 355.330 0.988 20 0 FCADHL COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000761290638 604408972 /nfs/dbraw/zinc/40/89/72/604408972.db2.gz CEWVLZYJENFVFX-RXMQYKEDSA-N -2 3 370.177 0.828 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1CN(C(=O)[O-])C1 ZINC000740207049 604758873 /nfs/dbraw/zinc/75/88/73/604758873.db2.gz KINIPXHZCVFWLJ-UHFFFAOYSA-N -2 3 357.370 0.551 20 0 FCADHL C[C@@H]1[C@H](C)N(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CCN1C ZINC000833590011 604838634 /nfs/dbraw/zinc/83/86/34/604838634.db2.gz YFHBWPFHHVCKDP-OLZOCXBDSA-N -2 3 372.425 0.957 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cnn(C)c1 ZINC000819866218 606176632 /nfs/dbraw/zinc/17/66/32/606176632.db2.gz KXPZPFQRRBRDDK-SECBINFHSA-N -2 3 361.387 0.209 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC000819866218 606176633 /nfs/dbraw/zinc/17/66/33/606176633.db2.gz KXPZPFQRRBRDDK-SECBINFHSA-N -2 3 361.387 0.209 20 0 FCADHL C[C@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820503232 606342678 /nfs/dbraw/zinc/34/26/78/606342678.db2.gz ZBUVSQRIOZRMBH-VIFPVBQESA-N -2 3 366.341 0.556 20 0 FCADHL C[C@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820503232 606342681 /nfs/dbraw/zinc/34/26/81/606342681.db2.gz ZBUVSQRIOZRMBH-VIFPVBQESA-N -2 3 366.341 0.556 20 0 FCADHL COCCO[N-]C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000821692996 606367772 /nfs/dbraw/zinc/36/77/72/606367772.db2.gz MRKCPCJLPANAFM-UHFFFAOYSA-N -2 3 352.420 0.973 20 0 FCADHL COCCO[N-]C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000821692996 606367774 /nfs/dbraw/zinc/36/77/74/606367774.db2.gz MRKCPCJLPANAFM-UHFFFAOYSA-N -2 3 352.420 0.973 20 0 FCADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822496780 606460476 /nfs/dbraw/zinc/46/04/76/606460476.db2.gz UMATZQKKCLKCJS-UHFFFAOYSA-N -2 3 367.416 0.397 20 0 FCADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822496780 606460477 /nfs/dbraw/zinc/46/04/77/606460477.db2.gz UMATZQKKCLKCJS-UHFFFAOYSA-N -2 3 367.416 0.397 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cc(-c2nnn[n-]2)cs1 ZINC000823284475 606465215 /nfs/dbraw/zinc/46/52/15/606465215.db2.gz HVPYWPOOBUHWMD-VIFPVBQESA-N -2 3 357.417 0.557 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cc(-c2nn[n-]n2)cs1 ZINC000823284475 606465217 /nfs/dbraw/zinc/46/52/17/606465217.db2.gz HVPYWPOOBUHWMD-VIFPVBQESA-N -2 3 357.417 0.557 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000822623402 606710283 /nfs/dbraw/zinc/71/02/83/606710283.db2.gz VPMSHPVIEDXXJA-UHFFFAOYSA-N -3 3 367.322 0.238 20 0 FCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)c1ccsc1 ZINC000823049995 607094224 /nfs/dbraw/zinc/09/42/24/607094224.db2.gz OOVYGLVJIGDRKK-UHFFFAOYSA-N -2 3 365.396 0.812 20 0 FCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)c1ccsc1 ZINC000823049995 607094226 /nfs/dbraw/zinc/09/42/26/607094226.db2.gz OOVYGLVJIGDRKK-UHFFFAOYSA-N -2 3 365.396 0.812 20 0 FCADHL CC[C@H](C)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C(=O)[O-] ZINC000821460995 607103218 /nfs/dbraw/zinc/10/32/18/607103218.db2.gz IOBDCPALEMDRNK-XPTSAGLGSA-N -2 3 363.374 0.870 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000821700222 607108753 /nfs/dbraw/zinc/10/87/53/607108753.db2.gz HQXVDZCXODFUDH-NSHDSACASA-N -2 3 361.358 0.624 20 0 FCADHL CCCC[C@@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000821043691 607206532 /nfs/dbraw/zinc/20/65/32/607206532.db2.gz SSNJAGNSSZVALJ-GFCCVEGCSA-N -2 3 353.404 0.930 20 0 FCADHL O=S(=O)([N-][C@H]1CC[C@H](O)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826492606 607812611 /nfs/dbraw/zinc/81/26/11/607812611.db2.gz TZEMPRZSPPIQGN-KYZUINATSA-N -2 3 359.358 0.727 20 0 FCADHL Cn1cc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1C(=O)[O-] ZINC000826362500 607933601 /nfs/dbraw/zinc/93/36/01/607933601.db2.gz VLJCALSMDGRXKY-UHFFFAOYSA-N -2 3 374.382 0.655 20 0 FCADHL Cn1cc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1C(=O)[O-] ZINC000826362500 607933602 /nfs/dbraw/zinc/93/36/02/607933602.db2.gz VLJCALSMDGRXKY-UHFFFAOYSA-N -2 3 374.382 0.655 20 0 FCADHL O=S(=O)([N-]C[C@@H]1CCC[C@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490483 607937900 /nfs/dbraw/zinc/93/79/00/607937900.db2.gz XBRYBHYYGOVCGB-WRWORJQWSA-N -2 3 359.358 0.584 20 0 FCADHL CS[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826224790 607944985 /nfs/dbraw/zinc/94/49/85/607944985.db2.gz LSHZVYKRLWJFEB-VIFPVBQESA-N -2 3 355.445 0.954 20 0 FCADHL CS[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826224790 607944986 /nfs/dbraw/zinc/94/49/86/607944986.db2.gz LSHZVYKRLWJFEB-VIFPVBQESA-N -2 3 355.445 0.954 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000826279398 608011591 /nfs/dbraw/zinc/01/15/91/608011591.db2.gz OVTJAHXWBWHOSL-LLVKDONJSA-N -2 3 353.404 0.953 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826461039 608011627 /nfs/dbraw/zinc/01/16/27/608011627.db2.gz CMNPUBSLECHLHN-VIFPVBQESA-N -2 3 359.314 0.383 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826461039 608011628 /nfs/dbraw/zinc/01/16/28/608011628.db2.gz CMNPUBSLECHLHN-VIFPVBQESA-N -2 3 359.314 0.383 20 0 FCADHL CN(CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825892321 608274640 /nfs/dbraw/zinc/27/46/40/608274640.db2.gz JWEZYKBBKSCKNA-UHFFFAOYSA-N -2 3 372.410 0.808 20 0 FCADHL CN(CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825892321 608274641 /nfs/dbraw/zinc/27/46/41/608274641.db2.gz JWEZYKBBKSCKNA-UHFFFAOYSA-N -2 3 372.410 0.808 20 0 FCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cnn(-c2ccccc2)c1 ZINC000826492687 608307853 /nfs/dbraw/zinc/30/78/53/608307853.db2.gz XVBXAFDYLWDPOL-UHFFFAOYSA-N -2 3 357.359 0.576 20 0 FCADHL O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449899 608318852 /nfs/dbraw/zinc/31/88/52/608318852.db2.gz NYELJQBDIXDCOD-UHFFFAOYSA-N -2 3 352.298 0.597 20 0 FCADHL O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449899 608318854 /nfs/dbraw/zinc/31/88/54/608318854.db2.gz NYELJQBDIXDCOD-UHFFFAOYSA-N -2 3 352.298 0.597 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[N-]OC1CCCC1 ZINC000826420035 608434349 /nfs/dbraw/zinc/43/43/49/608434349.db2.gz WHTDZUHLQXMLSU-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[N-]OC1CCCC1 ZINC000826420035 608434351 /nfs/dbraw/zinc/43/43/51/608434351.db2.gz WHTDZUHLQXMLSU-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825659647 608476368 /nfs/dbraw/zinc/47/63/68/608476368.db2.gz XWDYLHDLAWBYJM-UHFFFAOYSA-N -2 3 362.371 0.712 20 0 FCADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825659647 608476369 /nfs/dbraw/zinc/47/63/69/608476369.db2.gz XWDYLHDLAWBYJM-UHFFFAOYSA-N -2 3 362.371 0.712 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000826450676 608478709 /nfs/dbraw/zinc/47/87/09/608478709.db2.gz YFLDHNSRMXHSIX-UHFFFAOYSA-N -2 3 373.350 0.714 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000826450676 608478711 /nfs/dbraw/zinc/47/87/11/608478711.db2.gz YFLDHNSRMXHSIX-UHFFFAOYSA-N -2 3 373.350 0.714 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826402280 609162240 /nfs/dbraw/zinc/16/22/40/609162240.db2.gz QFBWTSDIIDELBH-ABZNLYFFSA-N -2 3 363.399 0.505 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826402280 609162241 /nfs/dbraw/zinc/16/22/41/609162241.db2.gz QFBWTSDIIDELBH-ABZNLYFFSA-N -2 3 363.399 0.505 20 0 FCADHL O=S(=O)([N-]c1cnc2c(c1)COCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492774 609163442 /nfs/dbraw/zinc/16/34/42/609163442.db2.gz CJMIPPLQRTXNCF-UHFFFAOYSA-N -2 3 359.371 0.530 20 0 FCADHL COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826221357 609254716 /nfs/dbraw/zinc/25/47/16/609254716.db2.gz ASWHWYCDRYDVTE-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826221357 609254717 /nfs/dbraw/zinc/25/47/17/609254717.db2.gz ASWHWYCDRYDVTE-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCOC1 ZINC000826279623 609356051 /nfs/dbraw/zinc/35/60/51/609356051.db2.gz WCUAQLQDLJJNLO-HNNXBMFYSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCOC1 ZINC000826279623 609356055 /nfs/dbraw/zinc/35/60/55/609356055.db2.gz WCUAQLQDLJJNLO-HNNXBMFYSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCCOC1 ZINC000826279624 609356310 /nfs/dbraw/zinc/35/63/10/609356310.db2.gz WCUAQLQDLJJNLO-OAHLLOKOSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCCOC1 ZINC000826279624 609356313 /nfs/dbraw/zinc/35/63/13/609356313.db2.gz WCUAQLQDLJJNLO-OAHLLOKOSA-N -2 3 365.415 0.797 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)Cc2ccc(F)cc2)o1 ZINC000031543059 663251790 /nfs/dbraw/zinc/25/17/90/663251790.db2.gz WEMVAHUDUCCLHS-UHFFFAOYSA-N -2 3 355.347 0.331 20 0 FCADHL COC(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000308151080 663377311 /nfs/dbraw/zinc/37/73/11/663377311.db2.gz HYBYHLSXARHQCZ-UHFFFAOYSA-N -2 3 371.165 0.375 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cc3c(s2)CCC3)o1 ZINC000031482042 666042763 /nfs/dbraw/zinc/04/27/63/666042763.db2.gz MGGTWCBTPSXVLG-UHFFFAOYSA-N -2 3 369.424 0.813 20 0 FCADHL CS[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C[C@H]1N(C)C ZINC000906908193 666076148 /nfs/dbraw/zinc/07/61/48/666076148.db2.gz XOXPRBBCETYEGJ-ZYHUDNBSSA-N -2 3 360.457 0.757 20 0 FCADHL CNC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)cn1C ZINC000031666138 666220755 /nfs/dbraw/zinc/22/07/55/666220755.db2.gz ZKWDGZWISAZMCJ-UHFFFAOYSA-N -2 3 354.363 0.147 20 0 FCADHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000064477342 666458194 /nfs/dbraw/zinc/45/81/94/666458194.db2.gz JMMHYIZTYZYUGN-UHFFFAOYSA-N -2 3 359.404 0.311 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccs1 ZINC000912558169 666458326 /nfs/dbraw/zinc/45/83/26/666458326.db2.gz KWMXVKFELJITTR-SECBINFHSA-N -2 3 359.385 0.670 20 0 FCADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000915044936 666817704 /nfs/dbraw/zinc/81/77/04/666817704.db2.gz IDJHUDZOXHOKBJ-UHFFFAOYSA-N -2 3 352.372 0.862 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1F ZINC000754353355 667593720 /nfs/dbraw/zinc/59/37/20/667593720.db2.gz CNOPVBAHWJMRQJ-UHFFFAOYSA-N -2 3 371.394 0.656 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000776503184 668266596 /nfs/dbraw/zinc/26/65/96/668266596.db2.gz ODCHZTPANJSUIQ-BXKDBHETSA-N -2 3 361.347 0.380 20 0 FCADHL Cn1cc(C[C@@H](C[N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])cn1 ZINC000776636652 668281647 /nfs/dbraw/zinc/28/16/47/668281647.db2.gz UXOQFPCLSVXIPF-JTQLQIEISA-N -2 3 358.807 0.690 20 0 FCADHL CC[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000780695271 668483973 /nfs/dbraw/zinc/48/39/73/668483973.db2.gz OSGGUARHQFTTLW-ZETCQYMHSA-N -2 3 369.852 0.842 20 0 FCADHL Cc1nonc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000783597687 668622040 /nfs/dbraw/zinc/62/20/40/668622040.db2.gz PVEHTFLKFVUQJC-UHFFFAOYSA-N -2 3 350.353 0.689 20 0 FCADHL CCOCCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784897512 668680908 /nfs/dbraw/zinc/68/09/08/668680908.db2.gz RISLVFXJRHYXDO-UHFFFAOYSA-N -2 3 368.408 0.429 20 0 FCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000821371061 669186870 /nfs/dbraw/zinc/18/68/70/669186870.db2.gz XMLPPCYBRVYJAU-HSZRJFAPSA-N -2 3 371.440 0.350 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cn1C ZINC000821667893 669209168 /nfs/dbraw/zinc/20/91/68/669209168.db2.gz FVAPESBISKFEPF-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cn1C ZINC000821667893 669209176 /nfs/dbraw/zinc/20/91/76/669209176.db2.gz FVAPESBISKFEPF-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000824280364 669381817 /nfs/dbraw/zinc/38/18/17/669381817.db2.gz KSTIFTGFVLZADJ-UHFFFAOYSA-N -2 3 364.391 0.166 20 0 FCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000824280364 669381821 /nfs/dbraw/zinc/38/18/21/669381821.db2.gz KSTIFTGFVLZADJ-UHFFFAOYSA-N -2 3 364.391 0.166 20 0 FCADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)COC1 ZINC000824783770 669414690 /nfs/dbraw/zinc/41/46/90/669414690.db2.gz KENHNDVAYVYHNC-UHFFFAOYSA-N -2 3 357.779 0.362 20 0 FCADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)COC1 ZINC000824783770 669414693 /nfs/dbraw/zinc/41/46/93/669414693.db2.gz KENHNDVAYVYHNC-UHFFFAOYSA-N -2 3 357.779 0.362 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824864785 669421530 /nfs/dbraw/zinc/42/15/30/669421530.db2.gz FMWJHBSQFOUHFB-MNOVXSKESA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824864785 669421536 /nfs/dbraw/zinc/42/15/36/669421536.db2.gz FMWJHBSQFOUHFB-MNOVXSKESA-N -2 3 365.415 0.628 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1F ZINC000826268168 669489054 /nfs/dbraw/zinc/48/90/54/669489054.db2.gz MSWSRSVXUAKJEF-UHFFFAOYSA-N -2 3 368.325 0.900 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1F ZINC000826268168 669489056 /nfs/dbraw/zinc/48/90/56/669489056.db2.gz MSWSRSVXUAKJEF-UHFFFAOYSA-N -2 3 368.325 0.900 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(F)c1 ZINC000826292865 669490341 /nfs/dbraw/zinc/49/03/41/669490341.db2.gz PITBFZJISNLMCN-UHFFFAOYSA-N -2 3 350.335 0.761 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(F)c1 ZINC000826292865 669490347 /nfs/dbraw/zinc/49/03/47/669490347.db2.gz PITBFZJISNLMCN-UHFFFAOYSA-N -2 3 350.335 0.761 20 0 FCADHL O=S(=O)([N-][C@H]1CCCOCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488407 669494634 /nfs/dbraw/zinc/49/46/34/669494634.db2.gz PBEUJUMLWLMUHP-VIFPVBQESA-N -2 3 359.358 0.992 20 0 FCADHL CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cn(C)c(Cl)n3)nc2n1 ZINC000808532263 669572195 /nfs/dbraw/zinc/57/21/95/669572195.db2.gz QDEQZIHNUGUEKY-UHFFFAOYSA-N -2 3 357.783 0.168 20 0 FCADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844784407 670942789 /nfs/dbraw/zinc/94/27/89/670942789.db2.gz ATNLIHXVOAESNI-MRVPVSSYSA-N -2 3 354.743 0.559 20 0 FCADHL C[C@@](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)(CC(=O)[O-])C(=O)[O-] ZINC000844789324 670943180 /nfs/dbraw/zinc/94/31/80/670943180.db2.gz LAUUEUGSTZUHIF-NSHDSACASA-N -3 3 354.743 0.718 20 0 FCADHL Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C2 ZINC000846767682 671148215 /nfs/dbraw/zinc/14/82/15/671148215.db2.gz MHEWWJUSQQBBAJ-SSDOTTSWSA-N -2 3 372.353 0.627 20 0 FCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000848676691 671289458 /nfs/dbraw/zinc/28/94/58/671289458.db2.gz YLYMMLMPQPWULG-QMMMGPOBSA-N -3 3 363.319 0.127 20 0 FCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC)c1 ZINC000848677825 671289690 /nfs/dbraw/zinc/28/96/90/671289690.db2.gz LFYYDERXDFDCHU-JTQLQIEISA-N -2 3 363.363 0.689 20 0 FCADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001170376356 1201209591 /nfs/dbraw/zinc/20/95/91/1201209591.db2.gz YWRZSQSONAQVBC-GFCCVEGCSA-N -2 3 373.348 0.752 20 0 FCADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)n1 ZINC001170376356 1201209595 /nfs/dbraw/zinc/20/95/95/1201209595.db2.gz YWRZSQSONAQVBC-GFCCVEGCSA-N -2 3 373.348 0.752 20 0 FCADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cnn(-c4ccccc4)n3)ccc21 ZINC000774625915 1206453114 /nfs/dbraw/zinc/45/31/14/1206453114.db2.gz FIMBQPWXAJCJNF-UHFFFAOYSA-N -2 3 369.362 0.952 20 0 FCADHL COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185604498 1206483197 /nfs/dbraw/zinc/48/31/97/1206483197.db2.gz IWKQISKDPCWZBN-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185604498 1206483198 /nfs/dbraw/zinc/48/31/98/1206483198.db2.gz IWKQISKDPCWZBN-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCc2c(=O)[n-]cnc2C1 ZINC000753477167 1220092437 /nfs/dbraw/zinc/09/24/37/1220092437.db2.gz UXJZYSAPBNHXSN-UHFFFAOYSA-N -2 3 369.406 0.766 20 0 FCADHL CN(C)CCC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001229304085 1225999314 /nfs/dbraw/zinc/99/93/14/1225999314.db2.gz ZDKFSMSWHMSPFP-SWLSCSKDSA-N -2 3 367.354 0.263 20 0 FCADHL O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152455770 1222948786 /nfs/dbraw/zinc/94/87/86/1222948786.db2.gz LOUHLKPYSZRDDQ-UHFFFAOYSA-N -2 3 371.330 0.506 20 0 FCADHL O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001158466402 1223099205 /nfs/dbraw/zinc/09/92/05/1223099205.db2.gz OUWUQJWUWKPDPH-LBPRGKRZSA-N -2 3 368.353 0.534 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccccc2Cl)o1 ZINC000031590375 1245293497 /nfs/dbraw/zinc/29/34/97/1245293497.db2.gz HOLJPWQISKEYES-UHFFFAOYSA-N -2 3 357.775 0.916 20 0 FCADHL C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001080071145 1255732088 /nfs/dbraw/zinc/73/20/88/1255732088.db2.gz HZHMYVHBRMTATQ-QMTHXVAHSA-N -2 3 368.397 0.602 20 0 FCADHL O=C([O-])C[C@H](C(=O)Oc1nc[n-]c(=O)c1-c1ccccc1)[C@H](O)C(=O)[O-] ZINC001234692641 1259563653 /nfs/dbraw/zinc/56/36/53/1259563653.db2.gz QIYBDUICYQGBGH-CABZTGNLSA-N -3 3 362.294 0.291 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001558078038 1269018332 /nfs/dbraw/zinc/01/83/32/1269018332.db2.gz GIYHCFJYCKUHSZ-LBPRGKRZSA-N -2 3 366.385 0.212 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001580624440 1278576104 /nfs/dbraw/zinc/57/61/04/1278576104.db2.gz LBTWSXZQUZBYOL-JTQLQIEISA-N -2 3 358.362 0.764 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001580624440 1278576116 /nfs/dbraw/zinc/57/61/16/1278576116.db2.gz LBTWSXZQUZBYOL-JTQLQIEISA-N -2 3 358.362 0.764 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575357305 1271992738 /nfs/dbraw/zinc/99/27/38/1271992738.db2.gz XNHLQJKVMATIEZ-DTWKUNHWSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575357305 1271992746 /nfs/dbraw/zinc/99/27/46/1271992746.db2.gz XNHLQJKVMATIEZ-DTWKUNHWSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001575439792 1272109696 /nfs/dbraw/zinc/10/96/96/1272109696.db2.gz VPIVTSMBTOCHRR-DTWKUNHWSA-N -2 3 355.362 0.254 20 0 FCADHL C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001575439792 1272109699 /nfs/dbraw/zinc/10/96/99/1272109699.db2.gz VPIVTSMBTOCHRR-DTWKUNHWSA-N -2 3 355.362 0.254 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CCNC(=O)c2ncccc2[O-])n1 ZINC001580690643 1278724892 /nfs/dbraw/zinc/72/48/92/1278724892.db2.gz SOHTZCTZWWONIH-SECBINFHSA-N -2 3 369.389 0.686 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CCNC(=O)c2ncccc2[O-])n1 ZINC001580690643 1278724902 /nfs/dbraw/zinc/72/49/02/1278724902.db2.gz SOHTZCTZWWONIH-SECBINFHSA-N -2 3 369.389 0.686 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576350439 1273175305 /nfs/dbraw/zinc/17/53/05/1273175305.db2.gz JCJIOMYQQKDXPB-KOLCDFICSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576350439 1273175310 /nfs/dbraw/zinc/17/53/10/1273175310.db2.gz JCJIOMYQQKDXPB-KOLCDFICSA-N -2 3 367.373 0.330 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CCNc2nc(C)cc(-c3nnn[n-]3)n2)c1[O-] ZINC001580742068 1278846258 /nfs/dbraw/zinc/84/62/58/1278846258.db2.gz SXPPGADEGZAORV-ZETCQYMHSA-N -2 3 372.393 0.323 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CCNc2nc(C)cc(-c3nn[n-]n3)n2)c1[O-] ZINC001580742068 1278846261 /nfs/dbraw/zinc/84/62/61/1278846261.db2.gz SXPPGADEGZAORV-ZETCQYMHSA-N -2 3 372.393 0.323 20 0 FCADHL CCN(c1cncc(-c2nnn[n-]2)n1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001578203400 1275494342 /nfs/dbraw/zinc/49/43/42/1275494342.db2.gz NNHCGJNXQHMYFN-SNVBAGLBSA-N -2 3 369.389 0.402 20 0 FCADHL CCN(c1cncc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001578203400 1275494345 /nfs/dbraw/zinc/49/43/45/1275494345.db2.gz NNHCGJNXQHMYFN-SNVBAGLBSA-N -2 3 369.389 0.402 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001578950504 1276496196 /nfs/dbraw/zinc/49/61/96/1276496196.db2.gz ZEJWEZWHBPKELG-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001578950504 1276496200 /nfs/dbraw/zinc/49/62/00/1276496200.db2.gz ZEJWEZWHBPKELG-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL CN(CC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1ncnc2nc[nH]c21 ZINC001579009638 1276583251 /nfs/dbraw/zinc/58/32/51/1276583251.db2.gz LBGIFUUSIJQKSB-UHFFFAOYSA-N -2 3 366.345 0.079 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001579266761 1277063926 /nfs/dbraw/zinc/06/39/26/1277063926.db2.gz WTGFLYLGLQGRQY-UHFFFAOYSA-N -2 3 359.321 0.372 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001579266761 1277063933 /nfs/dbraw/zinc/06/39/33/1277063933.db2.gz WTGFLYLGLQGRQY-UHFFFAOYSA-N -2 3 359.321 0.372 20 0 FCADHL Cc1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])cc(-c2nnn[n-]2)c1 ZINC001580985320 1279182950 /nfs/dbraw/zinc/18/29/50/1279182950.db2.gz YLOISVRTQYIXMT-UHFFFAOYSA-N -2 3 374.382 0.780 20 0 FCADHL Cc1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])cc(-c2nn[n-]n2)c1 ZINC001580985320 1279182952 /nfs/dbraw/zinc/18/29/52/1279182952.db2.gz YLOISVRTQYIXMT-UHFFFAOYSA-N -2 3 374.382 0.780 20 0 FCADHL CC(C)[C@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C(=O)[O-] ZINC001603230898 1287336847 /nfs/dbraw/zinc/33/68/47/1287336847.db2.gz DHCVNBSHTHCXGH-JTQLQIEISA-N -2 3 359.795 0.908 20 0 FCADHL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609241009 1289014625 /nfs/dbraw/zinc/01/46/25/1289014625.db2.gz SYMSOLSMMBRXGR-SNVBAGLBSA-N -2 3 369.403 0.113 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(NC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001581126505 1279427538 /nfs/dbraw/zinc/42/75/38/1279427538.db2.gz AYBSHGJSXYOHKC-JTQLQIEISA-N -2 3 354.374 0.901 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001581136886 1279438112 /nfs/dbraw/zinc/43/81/12/1279438112.db2.gz PKFJAOCIMTZGHS-UHFFFAOYSA-N -2 3 374.382 0.780 20 0 FCADHL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609241009 1289014631 /nfs/dbraw/zinc/01/46/31/1289014631.db2.gz SYMSOLSMMBRXGR-SNVBAGLBSA-N -2 3 369.403 0.113 20 0 FCADHL CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001603315694 1287352657 /nfs/dbraw/zinc/35/26/57/1287352657.db2.gz LDZPKOLAVQHTSG-JTQLQIEISA-N -2 3 353.404 0.880 20 0 FCADHL CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001603369115 1287362812 /nfs/dbraw/zinc/36/28/12/1287362812.db2.gz QNVZTHISLKKNHB-MRVPVSSYSA-N -2 3 362.346 0.182 20 0 FCADHL CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001603369115 1287362817 /nfs/dbraw/zinc/36/28/17/1287362817.db2.gz QNVZTHISLKKNHB-MRVPVSSYSA-N -2 3 362.346 0.182 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)c1[O-] ZINC001581390657 1279820891 /nfs/dbraw/zinc/82/08/91/1279820891.db2.gz AVJKEKAPXCOTQQ-ZETCQYMHSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)c1[O-] ZINC001581390657 1279820896 /nfs/dbraw/zinc/82/08/96/1279820896.db2.gz AVJKEKAPXCOTQQ-ZETCQYMHSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CNc2cccc(F)c2-c2nn[n-]n2)c1[O-] ZINC001581391443 1279822258 /nfs/dbraw/zinc/82/22/58/1279822258.db2.gz IYBKEDKYHUUPOZ-ZETCQYMHSA-N -2 3 360.353 0.973 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581391539 1279822276 /nfs/dbraw/zinc/82/22/76/1279822276.db2.gz TXQIUJVRNNUUNC-MRVPVSSYSA-N -2 3 357.378 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581391539 1279822280 /nfs/dbraw/zinc/82/22/80/1279822280.db2.gz TXQIUJVRNNUUNC-MRVPVSSYSA-N -2 3 357.378 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)NCCCNc2ncc(-c3nn[n-]n3)cc2F)c1[O-] ZINC001581391987 1279823287 /nfs/dbraw/zinc/82/32/87/1279823287.db2.gz RDSBNDROTQBXTA-UHFFFAOYSA-N -2 3 361.341 0.370 20 0 FCADHL CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001603462500 1287379536 /nfs/dbraw/zinc/37/95/36/1287379536.db2.gz VWSCLXDMTZNUDF-UHFFFAOYSA-N -2 3 351.406 0.644 20 0 FCADHL CCO[N-]C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001609241564 1289015216 /nfs/dbraw/zinc/01/52/16/1289015216.db2.gz GAIHFKNIYHBTIU-UHFFFAOYSA-N -2 3 360.252 0.772 20 0 FCADHL CCO[N-]C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609241564 1289015221 /nfs/dbraw/zinc/01/52/21/1289015221.db2.gz GAIHFKNIYHBTIU-UHFFFAOYSA-N -2 3 360.252 0.772 20 0 FCADHL Cc1ncc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC001581549930 1280122269 /nfs/dbraw/zinc/12/22/69/1280122269.db2.gz RSGOMJLJJKKJPE-UHFFFAOYSA-N -2 3 356.314 0.920 20 0 FCADHL Cc1noc([C@@H]([N-]S(=O)(=O)c2cccnc2-c2nnn[n-]2)C(C)C)n1 ZINC001581628199 1280286955 /nfs/dbraw/zinc/28/69/55/1280286955.db2.gz ZJYVTCQIZAAGGO-JTQLQIEISA-N -2 3 364.391 0.629 20 0 FCADHL Cc1noc([C@@H]([N-]S(=O)(=O)c2cccnc2-c2nn[n-]n2)C(C)C)n1 ZINC001581628199 1280286968 /nfs/dbraw/zinc/28/69/68/1280286968.db2.gz ZJYVTCQIZAAGGO-JTQLQIEISA-N -2 3 364.391 0.629 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001582133396 1281091090 /nfs/dbraw/zinc/09/10/90/1281091090.db2.gz DFZCPCBNBOLGBC-UHFFFAOYSA-N -2 3 373.402 0.105 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001582133396 1281091098 /nfs/dbraw/zinc/09/10/98/1281091098.db2.gz DFZCPCBNBOLGBC-UHFFFAOYSA-N -2 3 373.402 0.105 20 0 FCADHL O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)c1ncccc1[O-] ZINC001582323938 1281342393 /nfs/dbraw/zinc/34/23/93/1281342393.db2.gz MLKYHKQBQRAOME-JTQLQIEISA-N -2 3 370.348 0.510 20 0 FCADHL O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1ncccc1[O-] ZINC001582323938 1281342401 /nfs/dbraw/zinc/34/24/01/1281342401.db2.gz MLKYHKQBQRAOME-JTQLQIEISA-N -2 3 370.348 0.510 20 0 FCADHL CC(C)CNC(=O)C1([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCCC1 ZINC001603817321 1287508180 /nfs/dbraw/zinc/50/81/80/1287508180.db2.gz SAZDNJWGPFFHFK-UHFFFAOYSA-N -2 3 358.420 0.471 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603830693 1287510185 /nfs/dbraw/zinc/51/01/85/1287510185.db2.gz MLUYXKDASUSGQE-APPZFPTMSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001603844198 1287516221 /nfs/dbraw/zinc/51/62/21/1287516221.db2.gz BOPYVGWJCJQWIE-ONGXEEELSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001603844198 1287516228 /nfs/dbraw/zinc/51/62/28/1287516228.db2.gz BOPYVGWJCJQWIE-ONGXEEELSA-N -2 3 351.388 0.598 20 0 FCADHL O=C(NCCO)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1 ZINC001582523654 1281704088 /nfs/dbraw/zinc/70/40/88/1281704088.db2.gz BYDSLUGBRKPPIK-UHFFFAOYSA-N -2 3 368.353 0.547 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001582790322 1282006839 /nfs/dbraw/zinc/00/68/39/1282006839.db2.gz IBQRTHTVHMXDKX-UHFFFAOYSA-N -2 3 356.367 0.716 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001582790322 1282006843 /nfs/dbraw/zinc/00/68/43/1282006843.db2.gz IBQRTHTVHMXDKX-UHFFFAOYSA-N -2 3 356.367 0.716 20 0 FCADHL O=S(=O)([N-][C@@H]1CCO[C@H]1C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582797841 1282020818 /nfs/dbraw/zinc/02/08/18/1282020818.db2.gz MBALBKVBHPWVGD-NEPJUHHUSA-N -2 3 371.369 0.991 20 0 FCADHL O=c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n[nH]1 ZINC001582806727 1282030413 /nfs/dbraw/zinc/03/04/13/1282030413.db2.gz HQDORQPZWUQLKL-UHFFFAOYSA-N -2 3 369.313 0.119 20 0 FCADHL CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001604081982 1287568054 /nfs/dbraw/zinc/56/80/54/1287568054.db2.gz WVKXJIITCPCMCA-CQSZACIVSA-N -2 3 366.403 0.588 20 0 FCADHL CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001604081982 1287568059 /nfs/dbraw/zinc/56/80/59/1287568059.db2.gz WVKXJIITCPCMCA-CQSZACIVSA-N -2 3 366.403 0.588 20 0 FCADHL C[C@H](CC(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001604094668 1287569216 /nfs/dbraw/zinc/56/92/16/1287569216.db2.gz FOIVMVSEABGQAJ-MRVPVSSYSA-N -2 3 350.343 0.470 20 0 FCADHL CC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001588791634 1282702575 /nfs/dbraw/zinc/70/25/75/1282702575.db2.gz AZQRXJPRMJYAQG-UHFFFAOYSA-N -2 3 351.388 0.572 20 0 FCADHL CC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001588791634 1282702581 /nfs/dbraw/zinc/70/25/81/1282702581.db2.gz AZQRXJPRMJYAQG-UHFFFAOYSA-N -2 3 351.388 0.572 20 0 FCADHL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001588912477 1282726514 /nfs/dbraw/zinc/72/65/14/1282726514.db2.gz VBXBYIQYMRCEOJ-UHFFFAOYSA-N -2 3 361.339 0.781 20 0 FCADHL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588912477 1282726522 /nfs/dbraw/zinc/72/65/22/1282726522.db2.gz VBXBYIQYMRCEOJ-UHFFFAOYSA-N -2 3 361.339 0.781 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001589003373 1282763621 /nfs/dbraw/zinc/76/36/21/1282763621.db2.gz XAFCDNWDJNAINQ-QMMMGPOBSA-N -2 3 353.379 0.998 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001589003373 1282763625 /nfs/dbraw/zinc/76/36/25/1282763625.db2.gz XAFCDNWDJNAINQ-QMMMGPOBSA-N -2 3 353.379 0.998 20 0 FCADHL CC(C)(C)OCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589197572 1282814106 /nfs/dbraw/zinc/81/41/06/1282814106.db2.gz OGFGDTRZWKNYTD-UHFFFAOYSA-N -2 3 353.404 0.741 20 0 FCADHL CC(C)(C)OCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589197572 1282814110 /nfs/dbraw/zinc/81/41/10/1282814110.db2.gz OGFGDTRZWKNYTD-UHFFFAOYSA-N -2 3 353.404 0.741 20 0 FCADHL CC(C)C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001589555442 1282908496 /nfs/dbraw/zinc/90/84/96/1282908496.db2.gz CBOWXRREBWVFHM-LLVKDONJSA-N -2 3 353.404 0.892 20 0 FCADHL CC(C)C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589555442 1282908505 /nfs/dbraw/zinc/90/85/05/1282908505.db2.gz CBOWXRREBWVFHM-LLVKDONJSA-N -2 3 353.404 0.892 20 0 FCADHL CC(C)CNC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001589634831 1282923849 /nfs/dbraw/zinc/92/38/49/1282923849.db2.gz OSVZKMQTNRBQTI-UHFFFAOYSA-N -2 3 374.373 0.195 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1=O ZINC001589665119 1282936409 /nfs/dbraw/zinc/93/64/09/1282936409.db2.gz NEGFTXJCNDDRTO-UHFFFAOYSA-N -2 3 355.402 0.871 20 0 FCADHL C[C@H](CCCC(=O)[O-])NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001589804773 1283016687 /nfs/dbraw/zinc/01/66/87/1283016687.db2.gz LYWYZYJIOBQLIR-SNVBAGLBSA-N -2 3 353.404 0.930 20 0 FCADHL C[C@H](CCCC(=O)[O-])NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001589804773 1283016699 /nfs/dbraw/zinc/01/66/99/1283016699.db2.gz LYWYZYJIOBQLIR-SNVBAGLBSA-N -2 3 353.404 0.930 20 0 FCADHL C[C@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)CC(=O)[O-] ZINC001589831201 1283069982 /nfs/dbraw/zinc/06/99/82/1283069982.db2.gz SYKDJOALMGRFOE-SECBINFHSA-N -2 3 371.394 0.926 20 0 FCADHL C[C@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)CC(=O)[O-] ZINC001589831201 1283069987 /nfs/dbraw/zinc/06/99/87/1283069987.db2.gz SYKDJOALMGRFOE-SECBINFHSA-N -2 3 371.394 0.926 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001590071684 1283201628 /nfs/dbraw/zinc/20/16/28/1283201628.db2.gz UOQPVLSCIISTHQ-AWEZNQCLSA-N -2 3 369.378 0.775 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001590071684 1283201631 /nfs/dbraw/zinc/20/16/31/1283201631.db2.gz UOQPVLSCIISTHQ-AWEZNQCLSA-N -2 3 369.378 0.775 20 0 FCADHL CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC001604375368 1287625140 /nfs/dbraw/zinc/62/51/40/1287625140.db2.gz BBPKPPPGNVGYGP-CYBMUJFWSA-N -2 3 371.357 0.203 20 0 FCADHL CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001604375368 1287625147 /nfs/dbraw/zinc/62/51/47/1287625147.db2.gz BBPKPPPGNVGYGP-CYBMUJFWSA-N -2 3 371.357 0.203 20 0 FCADHL CC1(C)CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001590107232 1283218474 /nfs/dbraw/zinc/21/84/74/1283218474.db2.gz VCMYJDZWOJUIGQ-NSHDSACASA-N -2 3 351.388 0.492 20 0 FCADHL CC1(C)CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001590107232 1283218481 /nfs/dbraw/zinc/21/84/81/1283218481.db2.gz VCMYJDZWOJUIGQ-NSHDSACASA-N -2 3 351.388 0.492 20 0 FCADHL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001590111651 1283224637 /nfs/dbraw/zinc/22/46/37/1283224637.db2.gz LUKDJIOUIMERPJ-SNVBAGLBSA-N -2 3 353.379 0.998 20 0 FCADHL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001590111651 1283224643 /nfs/dbraw/zinc/22/46/43/1283224643.db2.gz LUKDJIOUIMERPJ-SNVBAGLBSA-N -2 3 353.379 0.998 20 0 FCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590142451 1283240795 /nfs/dbraw/zinc/24/07/95/1283240795.db2.gz CFMLKPKTMVJGMN-GFCCVEGCSA-N -2 3 358.280 0.743 20 0 FCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590142451 1283240801 /nfs/dbraw/zinc/24/08/01/1283240801.db2.gz CFMLKPKTMVJGMN-GFCCVEGCSA-N -2 3 358.280 0.743 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)C1 ZINC001590186170 1283291900 /nfs/dbraw/zinc/29/19/00/1283291900.db2.gz SXUSSRUEPABPSP-DTWKUNHWSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)C1 ZINC001590186170 1283291908 /nfs/dbraw/zinc/29/19/08/1283291908.db2.gz SXUSSRUEPABPSP-DTWKUNHWSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC001590195052 1283300107 /nfs/dbraw/zinc/30/01/07/1283300107.db2.gz VCDPHMCSHONOFK-BREBYQMCSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC001590195052 1283300112 /nfs/dbraw/zinc/30/01/12/1283300112.db2.gz VCDPHMCSHONOFK-BREBYQMCSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC001590194311 1283300828 /nfs/dbraw/zinc/30/08/28/1283300828.db2.gz RXFXKEJBMTVNGM-YGOYTEALSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC001590194311 1283300842 /nfs/dbraw/zinc/30/08/42/1283300842.db2.gz RXFXKEJBMTVNGM-YGOYTEALSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590226009 1283353855 /nfs/dbraw/zinc/35/38/55/1283353855.db2.gz IXRLVZXXVBTRGQ-IUCAKERBSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001590238076 1283369500 /nfs/dbraw/zinc/36/95/00/1283369500.db2.gz FNMJJKSKUJIKCR-UWVGGRQHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001590238076 1283369509 /nfs/dbraw/zinc/36/95/09/1283369509.db2.gz FNMJJKSKUJIKCR-UWVGGRQHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H]1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001590264859 1283388105 /nfs/dbraw/zinc/38/81/05/1283388105.db2.gz SJMPWNIIHNYJAJ-JQWIXIFHSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001590264859 1283388112 /nfs/dbraw/zinc/38/81/12/1283388112.db2.gz SJMPWNIIHNYJAJ-JQWIXIFHSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@H](C(=O)[O-])C1 ZINC001590276440 1283403336 /nfs/dbraw/zinc/40/33/36/1283403336.db2.gz OAWNAOKLIMCEEN-KWQFWETISA-N -2 3 352.376 0.136 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@H](C(=O)[O-])C1 ZINC001590276440 1283403341 /nfs/dbraw/zinc/40/33/41/1283403341.db2.gz OAWNAOKLIMCEEN-KWQFWETISA-N -2 3 352.376 0.136 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C(=O)[O-] ZINC001590275723 1283403429 /nfs/dbraw/zinc/40/34/29/1283403429.db2.gz FRAAATAKZCGKEB-CABZTGNLSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C(=O)[O-] ZINC001590275723 1283403434 /nfs/dbraw/zinc/40/34/34/1283403434.db2.gz FRAAATAKZCGKEB-CABZTGNLSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C(=O)[O-])C1 ZINC001590275794 1283403604 /nfs/dbraw/zinc/40/36/04/1283403604.db2.gz GJMMGGFSXMMFAX-YUMQZZPRSA-N -2 3 357.417 0.802 20 0 FCADHL C[C@H]1CN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC[C@H]1C(=O)[O-] ZINC001590309154 1283453195 /nfs/dbraw/zinc/45/31/95/1283453195.db2.gz KFUUXCZBQNJRLS-CMPLNLGQSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@H]1CN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC[C@H]1C(=O)[O-] ZINC001590309154 1283453199 /nfs/dbraw/zinc/45/31/99/1283453199.db2.gz KFUUXCZBQNJRLS-CMPLNLGQSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590322786 1283465573 /nfs/dbraw/zinc/46/55/73/1283465573.db2.gz HIRUWKINQHKWBV-NXEZZACHSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590322786 1283465580 /nfs/dbraw/zinc/46/55/80/1283465580.db2.gz HIRUWKINQHKWBV-NXEZZACHSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590324698 1283468685 /nfs/dbraw/zinc/46/86/85/1283468685.db2.gz PWHDBDCSFANJTH-GXFFZTMASA-N -2 3 365.415 0.485 20 0 FCADHL C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590324698 1283468692 /nfs/dbraw/zinc/46/86/92/1283468692.db2.gz PWHDBDCSFANJTH-GXFFZTMASA-N -2 3 365.415 0.485 20 0 FCADHL C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590326982 1283471627 /nfs/dbraw/zinc/47/16/27/1283471627.db2.gz YYVBENWZCHOAQY-JOYOIKCWSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590326982 1283471633 /nfs/dbraw/zinc/47/16/33/1283471633.db2.gz YYVBENWZCHOAQY-JOYOIKCWSA-N -2 3 351.388 0.344 20 0 FCADHL CC[C@@](C)(CNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001590381924 1283509698 /nfs/dbraw/zinc/50/96/98/1283509698.db2.gz OPKIAODNUKDOJX-AWEZNQCLSA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@@](C)(CNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001590381924 1283509702 /nfs/dbraw/zinc/50/97/02/1283509702.db2.gz OPKIAODNUKDOJX-AWEZNQCLSA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590385094 1283511652 /nfs/dbraw/zinc/51/16/52/1283511652.db2.gz NLSBFMMNVFJCHC-AWEZNQCLSA-N -2 3 369.403 0.495 20 0 FCADHL CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590385094 1283511660 /nfs/dbraw/zinc/51/16/60/1283511660.db2.gz NLSBFMMNVFJCHC-AWEZNQCLSA-N -2 3 369.403 0.495 20 0 FCADHL CCC(CC)(C(=O)[O-])C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590424185 1283532046 /nfs/dbraw/zinc/53/20/46/1283532046.db2.gz HZXBGMFAZXXFHX-UHFFFAOYSA-N -2 3 373.417 0.801 20 0 FCADHL CCC(CC)(C(=O)[O-])C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590424185 1283532053 /nfs/dbraw/zinc/53/20/53/1283532053.db2.gz HZXBGMFAZXXFHX-UHFFFAOYSA-N -2 3 373.417 0.801 20 0 FCADHL CC[C@@H](CCC(=O)[O-])NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590436663 1283533844 /nfs/dbraw/zinc/53/38/44/1283533844.db2.gz YEYOKZFOYACXIU-LBPRGKRZSA-N -2 3 353.404 0.930 20 0 FCADHL CC[C@H](CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590438447 1283536877 /nfs/dbraw/zinc/53/68/77/1283536877.db2.gz CVRMPDLSQIZXNT-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL CC[C@@H](CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)CC(=O)[O-] ZINC001590446895 1283542472 /nfs/dbraw/zinc/54/24/72/1283542472.db2.gz PGAXPKPIVODCBU-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@@H](CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)CC(=O)[O-] ZINC001590446895 1283542482 /nfs/dbraw/zinc/54/24/82/1283542482.db2.gz PGAXPKPIVODCBU-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590505839 1283575114 /nfs/dbraw/zinc/57/51/14/1283575114.db2.gz WLRAUAPHBIUNKF-ZYHUDNBSSA-N -2 3 351.388 0.883 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590505839 1283575121 /nfs/dbraw/zinc/57/51/21/1283575121.db2.gz WLRAUAPHBIUNKF-ZYHUDNBSSA-N -2 3 351.388 0.883 20 0 FCADHL CCC[C@@H](OCC)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590561991 1283604867 /nfs/dbraw/zinc/60/48/67/1283604867.db2.gz RIALTUXQNAHGFA-LLVKDONJSA-N -2 3 353.404 0.877 20 0 FCADHL CCC[C@@H](OCC)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590561991 1283604884 /nfs/dbraw/zinc/60/48/84/1283604884.db2.gz RIALTUXQNAHGFA-LLVKDONJSA-N -2 3 353.404 0.877 20 0 FCADHL CCC[C@@H](OCC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590561983 1283606531 /nfs/dbraw/zinc/60/65/31/1283606531.db2.gz QLOXYJCLYQAGKF-GFCCVEGCSA-N -2 3 353.404 0.877 20 0 FCADHL CCC[C@@H](OCC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590561983 1283606548 /nfs/dbraw/zinc/60/65/48/1283606548.db2.gz QLOXYJCLYQAGKF-GFCCVEGCSA-N -2 3 353.404 0.877 20 0 FCADHL CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(=O)[O-] ZINC001590560369 1283606825 /nfs/dbraw/zinc/60/68/25/1283606825.db2.gz NFCGLMHDTAEYKV-PWSUYJOCSA-N -2 3 369.403 0.068 20 0 FCADHL CCCCSCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590611789 1283649905 /nfs/dbraw/zinc/64/99/05/1283649905.db2.gz OKILGEWCXPWKNM-UHFFFAOYSA-N -2 3 370.460 0.990 20 0 FCADHL CCCCSCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590611789 1283649917 /nfs/dbraw/zinc/64/99/17/1283649917.db2.gz OKILGEWCXPWKNM-UHFFFAOYSA-N -2 3 370.460 0.990 20 0 FCADHL CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(N)=O ZINC001590654163 1283707970 /nfs/dbraw/zinc/70/79/70/1283707970.db2.gz SRWZETHASVIGPI-VIFPVBQESA-N -2 3 360.346 0.077 20 0 FCADHL CCN(C)S(=O)(=O)[N-]C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590678761 1283727724 /nfs/dbraw/zinc/72/77/24/1283727724.db2.gz FIQXTHFTKCZDQE-UHFFFAOYSA-N -2 3 350.404 0.211 20 0 FCADHL CCN(C)S(=O)(=O)[N-]C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590678761 1283727731 /nfs/dbraw/zinc/72/77/31/1283727731.db2.gz FIQXTHFTKCZDQE-UHFFFAOYSA-N -2 3 350.404 0.211 20 0 FCADHL CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590790328 1283846649 /nfs/dbraw/zinc/84/66/49/1283846649.db2.gz KVCBOUYYQYECBV-VXGBXAGGSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590790328 1283846658 /nfs/dbraw/zinc/84/66/58/1283846658.db2.gz KVCBOUYYQYECBV-VXGBXAGGSA-N -2 3 351.388 0.238 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)C(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001591152452 1284224025 /nfs/dbraw/zinc/22/40/25/1284224025.db2.gz YXOZOMKZGJISFB-UHFFFAOYSA-N -2 3 367.329 0.413 20 0 FCADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001591269224 1284423691 /nfs/dbraw/zinc/42/36/91/1284423691.db2.gz CSWIIKQGVBNGAP-UHFFFAOYSA-N -2 3 374.382 0.778 20 0 FCADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001591269224 1284423696 /nfs/dbraw/zinc/42/36/96/1284423696.db2.gz CSWIIKQGVBNGAP-UHFFFAOYSA-N -2 3 374.382 0.778 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC001591386230 1284528410 /nfs/dbraw/zinc/52/84/10/1284528410.db2.gz SFCIVORGEMMTNY-UHFFFAOYSA-N -2 3 367.387 0.107 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC001591386230 1284528416 /nfs/dbraw/zinc/52/84/16/1284528416.db2.gz SFCIVORGEMMTNY-UHFFFAOYSA-N -2 3 367.387 0.107 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001591449995 1284608217 /nfs/dbraw/zinc/60/82/17/1284608217.db2.gz ACVABLVBRRKDAM-UHFFFAOYSA-N -2 3 367.366 0.650 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001591449995 1284608231 /nfs/dbraw/zinc/60/82/31/1284608231.db2.gz ACVABLVBRRKDAM-UHFFFAOYSA-N -2 3 367.366 0.650 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)n1 ZINC001591451636 1284612772 /nfs/dbraw/zinc/61/27/72/1284612772.db2.gz ZEONWJDMWZMKNI-UHFFFAOYSA-N -2 3 364.391 0.214 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)n1 ZINC001591451636 1284612784 /nfs/dbraw/zinc/61/27/84/1284612784.db2.gz ZEONWJDMWZMKNI-UHFFFAOYSA-N -2 3 364.391 0.214 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1 ZINC001591504716 1284684846 /nfs/dbraw/zinc/68/48/46/1284684846.db2.gz CHXNOVXKRNGGGZ-QMMMGPOBSA-N -2 3 367.387 0.217 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1 ZINC001591504716 1284684858 /nfs/dbraw/zinc/68/48/58/1284684858.db2.gz CHXNOVXKRNGGGZ-QMMMGPOBSA-N -2 3 367.387 0.217 20 0 FCADHL COc1nc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)cc(=O)[n-]1 ZINC001591662529 1284792338 /nfs/dbraw/zinc/79/23/38/1284792338.db2.gz GHIHCGWZFYKJLH-UHFFFAOYSA-N -2 3 372.341 0.997 20 0 FCADHL CSC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001591690373 1284833902 /nfs/dbraw/zinc/83/39/02/1284833902.db2.gz OWEPIJZMANHUBM-UHFFFAOYSA-N -2 3 353.429 0.708 20 0 FCADHL CSC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001591690373 1284833916 /nfs/dbraw/zinc/83/39/16/1284833916.db2.gz OWEPIJZMANHUBM-UHFFFAOYSA-N -2 3 353.429 0.708 20 0 FCADHL CSc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)cc1-c1nnn[n-]1 ZINC001591709898 1284848913 /nfs/dbraw/zinc/84/89/13/1284848913.db2.gz GGJPYGCTHWPXDC-QWRGUYRKSA-N -2 3 363.399 0.837 20 0 FCADHL CSc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)cc1-c1nn[n-]n1 ZINC001591709898 1284848923 /nfs/dbraw/zinc/84/89/23/1284848923.db2.gz GGJPYGCTHWPXDC-QWRGUYRKSA-N -2 3 363.399 0.837 20 0 FCADHL CSc1nc(=O)n(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[n-]1 ZINC001591721284 1284853066 /nfs/dbraw/zinc/85/30/66/1284853066.db2.gz SOUKZFOWVMPXQF-UHFFFAOYSA-N -2 3 366.794 0.766 20 0 FCADHL CSc1nc(=O)n(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[n-]1 ZINC001591721284 1284853075 /nfs/dbraw/zinc/85/30/75/1284853075.db2.gz SOUKZFOWVMPXQF-UHFFFAOYSA-N -2 3 366.794 0.766 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H]1C(=O)[O-] ZINC001591733896 1284861752 /nfs/dbraw/zinc/86/17/52/1284861752.db2.gz UJXGMRPTHVBHPN-MFKMUULPSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C(=O)[O-] ZINC001591733896 1284861766 /nfs/dbraw/zinc/86/17/66/1284861766.db2.gz UJXGMRPTHVBHPN-MFKMUULPSA-N -2 3 365.415 0.882 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)cccc1-c1nnn[n-]1 ZINC001591810331 1284920320 /nfs/dbraw/zinc/92/03/20/1284920320.db2.gz PPTCSPATSMGEQP-LLVKDONJSA-N -2 3 365.415 0.804 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)cccc1-c1nn[n-]n1 ZINC001591810331 1284920328 /nfs/dbraw/zinc/92/03/28/1284920328.db2.gz PPTCSPATSMGEQP-LLVKDONJSA-N -2 3 365.415 0.804 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC001591824259 1284930274 /nfs/dbraw/zinc/93/02/74/1284930274.db2.gz PAJWQLPHOBUFED-GXSJLCMTSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC001591824259 1284930279 /nfs/dbraw/zinc/93/02/79/1284930279.db2.gz PAJWQLPHOBUFED-GXSJLCMTSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001591872304 1284959046 /nfs/dbraw/zinc/95/90/46/1284959046.db2.gz IEYWMMLFTPOJAR-LLVKDONJSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001591872304 1284959057 /nfs/dbraw/zinc/95/90/57/1284959057.db2.gz IEYWMMLFTPOJAR-LLVKDONJSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC001591872699 1284960369 /nfs/dbraw/zinc/96/03/69/1284960369.db2.gz KSISQSWHOFPHKN-VIFPVBQESA-N -2 3 355.401 0.323 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC001591872699 1284960379 /nfs/dbraw/zinc/96/03/79/1284960379.db2.gz KSISQSWHOFPHKN-VIFPVBQESA-N -2 3 355.401 0.323 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001591871829 1284960852 /nfs/dbraw/zinc/96/08/52/1284960852.db2.gz ATKIZIFIGDOJJY-LBPRGKRZSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001591871829 1284960862 /nfs/dbraw/zinc/96/08/62/1284960862.db2.gz ATKIZIFIGDOJJY-LBPRGKRZSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ns1 ZINC001591930083 1285016961 /nfs/dbraw/zinc/01/69/61/1285016961.db2.gz UJNZUTVJZXROLR-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ns1 ZINC001591930083 1285016963 /nfs/dbraw/zinc/01/69/63/1285016963.db2.gz UJNZUTVJZXROLR-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1-c1nnn[n-]1 ZINC001592063986 1285103592 /nfs/dbraw/zinc/10/35/92/1285103592.db2.gz ORVCVWOVMBTNML-GWCFXTLKSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1-c1nn[n-]n1 ZINC001592063986 1285103598 /nfs/dbraw/zinc/10/35/98/1285103598.db2.gz ORVCVWOVMBTNML-GWCFXTLKSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001592066139 1285106717 /nfs/dbraw/zinc/10/67/17/1285106717.db2.gz SFMSFBGSTJNQDW-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592066139 1285106723 /nfs/dbraw/zinc/10/67/23/1285106723.db2.gz SFMSFBGSTJNQDW-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CO[C@H](C)C1 ZINC001592109323 1285143078 /nfs/dbraw/zinc/14/30/78/1285143078.db2.gz GFKOCFJBGRYODY-MWLCHTKSSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CO[C@H](C)C1 ZINC001592109323 1285143082 /nfs/dbraw/zinc/14/30/82/1285143082.db2.gz GFKOCFJBGRYODY-MWLCHTKSSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001592109138 1285143386 /nfs/dbraw/zinc/14/33/86/1285143386.db2.gz BMEMMWHGBFDNGH-NSHDSACASA-N -2 3 367.387 0.039 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001592109138 1285143389 /nfs/dbraw/zinc/14/33/89/1285143389.db2.gz BMEMMWHGBFDNGH-NSHDSACASA-N -2 3 367.387 0.039 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C[C@@H]1CCCO1 ZINC001592109361 1285143889 /nfs/dbraw/zinc/14/38/89/1285143889.db2.gz HSHXSQWOBDQUNP-DGMVEKRQSA-N -2 3 363.399 0.715 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C[C@@H]1CCCO1 ZINC001592109361 1285143896 /nfs/dbraw/zinc/14/38/96/1285143896.db2.gz HSHXSQWOBDQUNP-DGMVEKRQSA-N -2 3 363.399 0.715 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)nc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001592110373 1285146916 /nfs/dbraw/zinc/14/69/16/1285146916.db2.gz NEBTVBJBFDKBDV-NSHDSACASA-N -2 3 371.401 0.472 20 0 FCADHL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001592136502 1285157414 /nfs/dbraw/zinc/15/74/14/1285157414.db2.gz LDFLICDLDDNBRD-UHFFFAOYSA-N -2 3 373.398 0.778 20 0 FCADHL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001592136502 1285157418 /nfs/dbraw/zinc/15/74/18/1285157418.db2.gz LDFLICDLDDNBRD-UHFFFAOYSA-N -2 3 373.398 0.778 20 0 FCADHL Cc1ccc(S(=O)(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592189328 1285173344 /nfs/dbraw/zinc/17/33/44/1285173344.db2.gz ALEDESFOUIRIHM-SCZZXKLOSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1ccc(S(=O)(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592189328 1285173346 /nfs/dbraw/zinc/17/33/46/1285173346.db2.gz ALEDESFOUIRIHM-SCZZXKLOSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592189586 1285173410 /nfs/dbraw/zinc/17/34/10/1285173410.db2.gz HBQRHCPFQOFDLE-CQSZACIVSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592189586 1285173416 /nfs/dbraw/zinc/17/34/16/1285173416.db2.gz HBQRHCPFQOFDLE-CQSZACIVSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592189406 1285173589 /nfs/dbraw/zinc/17/35/89/1285173589.db2.gz BWSRDXYEKBRNQM-SKDRFNHKSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592189406 1285173595 /nfs/dbraw/zinc/17/35/95/1285173595.db2.gz BWSRDXYEKBRNQM-SKDRFNHKSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592190301 1285176354 /nfs/dbraw/zinc/17/63/54/1285176354.db2.gz NWMSEXCMJFEJSW-ONGXEEELSA-N -2 3 351.388 0.801 20 0 FCADHL Cc1ccc(S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592190301 1285176362 /nfs/dbraw/zinc/17/63/62/1285176362.db2.gz NWMSEXCMJFEJSW-ONGXEEELSA-N -2 3 351.388 0.801 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592193393 1285177055 /nfs/dbraw/zinc/17/70/55/1285177055.db2.gz WITZLLKLMTXAOC-LLVKDONJSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592193393 1285177057 /nfs/dbraw/zinc/17/70/57/1285177057.db2.gz WITZLLKLMTXAOC-LLVKDONJSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592193394 1285177300 /nfs/dbraw/zinc/17/73/00/1285177300.db2.gz WITZLLKLMTXAOC-NSHDSACASA-N -2 3 351.388 0.803 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592193394 1285177303 /nfs/dbraw/zinc/17/73/03/1285177303.db2.gz WITZLLKLMTXAOC-NSHDSACASA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001592213854 1285184430 /nfs/dbraw/zinc/18/44/30/1285184430.db2.gz JWYZBGHFEWESDT-GHMZBOCLSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001592213854 1285184437 /nfs/dbraw/zinc/18/44/37/1285184437.db2.gz JWYZBGHFEWESDT-GHMZBOCLSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001592241292 1285198260 /nfs/dbraw/zinc/19/82/60/1285198260.db2.gz VILWDNKHVLJZPI-VHSXEESVSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001592241292 1285198267 /nfs/dbraw/zinc/19/82/67/1285198267.db2.gz VILWDNKHVLJZPI-VHSXEESVSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592400861 1285312538 /nfs/dbraw/zinc/31/25/38/1285312538.db2.gz BPZKGFSTVMFZPF-UHFFFAOYSA-N -2 3 354.334 0.136 20 0 FCADHL Cc1nc2ccc([N-]S(=O)(=O)c3cnc(C)c(-c4nnn[n-]4)c3)cn2n1 ZINC001592404414 1285314314 /nfs/dbraw/zinc/31/43/14/1285314314.db2.gz HGXWZSCRORYXIB-UHFFFAOYSA-N -2 3 371.386 0.722 20 0 FCADHL Cc1nc2ccc([N-]S(=O)(=O)c3cnc(C)c(-c4nn[n-]n4)c3)cn2n1 ZINC001592404414 1285314323 /nfs/dbraw/zinc/31/43/23/1285314323.db2.gz HGXWZSCRORYXIB-UHFFFAOYSA-N -2 3 371.386 0.722 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001592415362 1285337745 /nfs/dbraw/zinc/33/77/45/1285337745.db2.gz WMIYOSUCKBNTAS-UHFFFAOYSA-N -3 3 374.382 0.998 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001592415362 1285337755 /nfs/dbraw/zinc/33/77/55/1285337755.db2.gz WMIYOSUCKBNTAS-UHFFFAOYSA-N -3 3 374.382 0.998 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001592566775 1285481931 /nfs/dbraw/zinc/48/19/31/1285481931.db2.gz JRKQNOUEMBCGAI-FARCUNLSSA-N -2 3 359.371 0.119 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592566775 1285481936 /nfs/dbraw/zinc/48/19/36/1285481936.db2.gz JRKQNOUEMBCGAI-FARCUNLSSA-N -2 3 359.371 0.119 20 0 FCADHL Cn1cc(C2=NO[C@@H](C(=O)[N-]Oc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001592570313 1285486198 /nfs/dbraw/zinc/48/61/98/1285486198.db2.gz PQVKXKIIFBBHEO-CYBMUJFWSA-N -2 3 354.330 0.203 20 0 FCADHL Cn1cc(C2=NO[C@@H](C(=O)[N-]Oc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC001592570313 1285486204 /nfs/dbraw/zinc/48/62/04/1285486204.db2.gz PQVKXKIIFBBHEO-CYBMUJFWSA-N -2 3 354.330 0.203 20 0 FCADHL CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001604828803 1287788782 /nfs/dbraw/zinc/78/87/82/1287788782.db2.gz XNXHSQBIPUKRLI-JGZJWPJOSA-N -2 3 369.378 0.631 20 0 FCADHL Cn1[n-]c(C(=O)N2CCN(c3ccsc3-c3nnn[n-]3)CC2)cc1=O ZINC001592592002 1285526493 /nfs/dbraw/zinc/52/64/93/1285526493.db2.gz GWACGSYYGVFIPU-UHFFFAOYSA-N -2 3 360.403 0.330 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001592606816 1285547806 /nfs/dbraw/zinc/54/78/06/1285547806.db2.gz LHMYAKGKPPQIFP-SREVYHEPSA-N -2 3 359.371 0.119 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001592606816 1285547811 /nfs/dbraw/zinc/54/78/11/1285547811.db2.gz LHMYAKGKPPQIFP-SREVYHEPSA-N -2 3 359.371 0.119 20 0 FCADHL NS(=O)(=O)c1cccc(N2CCC[C@H](CC(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001592747742 1285669880 /nfs/dbraw/zinc/66/98/80/1285669880.db2.gz BMCHBJPNGNXFJK-SECBINFHSA-N -2 3 366.403 0.205 20 0 FCADHL NS(=O)(=O)c1cccc(N2CCC[C@H](CC(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001592747742 1285669886 /nfs/dbraw/zinc/66/98/86/1285669886.db2.gz BMCHBJPNGNXFJK-SECBINFHSA-N -2 3 366.403 0.205 20 0 FCADHL O=C(C=Cc1cccc(F)c1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592794317 1285716631 /nfs/dbraw/zinc/71/66/31/1285716631.db2.gz NDBREKADMWAFTI-SNAWJCMRSA-N -2 3 374.357 0.919 20 0 FCADHL O=C(C=Cc1cccc(F)c1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592794317 1285716636 /nfs/dbraw/zinc/71/66/36/1285716636.db2.gz NDBREKADMWAFTI-SNAWJCMRSA-N -2 3 374.357 0.919 20 0 FCADHL O=C(CC(C1CC1)C1CC1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592803057 1285722779 /nfs/dbraw/zinc/72/27/79/1285722779.db2.gz NTBHPNOBXYHHMF-UHFFFAOYSA-N -2 3 362.415 0.893 20 0 FCADHL O=C(CC(C1CC1)C1CC1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592803057 1285722785 /nfs/dbraw/zinc/72/27/85/1285722785.db2.gz NTBHPNOBXYHHMF-UHFFFAOYSA-N -2 3 362.415 0.893 20 0 FCADHL O=C([O-])C1(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001592889061 1285795063 /nfs/dbraw/zinc/79/50/63/1285795063.db2.gz SUZJOSWLMZURJE-UHFFFAOYSA-N -2 3 361.358 0.243 20 0 FCADHL O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001592963902 1285847724 /nfs/dbraw/zinc/84/77/24/1285847724.db2.gz DZXDHQMLSTWBRB-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001592963902 1285847728 /nfs/dbraw/zinc/84/77/28/1285847728.db2.gz DZXDHQMLSTWBRB-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)c1ncccc1[O-] ZINC001593000739 1285882801 /nfs/dbraw/zinc/88/28/01/1285882801.db2.gz AHMGQZCWLGHYAP-UHFFFAOYSA-N -2 3 357.399 0.643 20 0 FCADHL O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1ncccc1[O-] ZINC001593000739 1285882810 /nfs/dbraw/zinc/88/28/10/1285882810.db2.gz AHMGQZCWLGHYAP-UHFFFAOYSA-N -2 3 357.399 0.643 20 0 FCADHL CN(CCC(=O)[O-])C(=O)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001609274470 1289037798 /nfs/dbraw/zinc/03/77/98/1289037798.db2.gz OOIGIFQAEHCRHC-UHFFFAOYSA-N -2 3 372.385 0.291 20 0 FCADHL CN(CCC(=O)[O-])C(=O)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001609274470 1289037803 /nfs/dbraw/zinc/03/78/03/1289037803.db2.gz OOIGIFQAEHCRHC-UHFFFAOYSA-N -2 3 372.385 0.291 20 0 FCADHL O=C(NCC=CCNc1ccc(-c2nnn[n-]2)cn1)c1ncccc1[O-] ZINC001593051909 1285944384 /nfs/dbraw/zinc/94/43/84/1285944384.db2.gz NKUDVUMSSIMDBO-OWOJBTEDSA-N -2 3 352.358 0.760 20 0 FCADHL O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1c([O-])cnc2c(F)cccc21 ZINC001593112960 1286012039 /nfs/dbraw/zinc/01/20/39/1286012039.db2.gz UXDFJRLJISLWBC-UHFFFAOYSA-N -2 3 369.320 0.281 20 0 FCADHL O=C([N-]O[C@H]1CCCCO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593167544 1286025486 /nfs/dbraw/zinc/02/54/86/1286025486.db2.gz TZSHVMVMFKRIRW-NSHDSACASA-N -2 3 350.310 0.519 20 0 FCADHL O=C([N-]O[C@H]1CCCCO1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001593167544 1286025491 /nfs/dbraw/zinc/02/54/91/1286025491.db2.gz TZSHVMVMFKRIRW-NSHDSACASA-N -2 3 350.310 0.519 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001593273397 1286057636 /nfs/dbraw/zinc/05/76/36/1286057636.db2.gz GMFVNLVEMZQDLA-NSHDSACASA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593273397 1286057638 /nfs/dbraw/zinc/05/76/38/1286057638.db2.gz GMFVNLVEMZQDLA-NSHDSACASA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001593273467 1286057712 /nfs/dbraw/zinc/05/77/12/1286057712.db2.gz GYTWOJQBHLJNND-IONNQARKSA-N -2 3 353.335 0.313 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001593275689 1286059543 /nfs/dbraw/zinc/05/95/43/1286059543.db2.gz DUPJSYGPUGDMET-UHFFFAOYSA-N -2 3 355.351 0.539 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001593275689 1286059545 /nfs/dbraw/zinc/05/95/45/1286059545.db2.gz DUPJSYGPUGDMET-UHFFFAOYSA-N -2 3 355.351 0.539 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001593275980 1286059739 /nfs/dbraw/zinc/05/97/39/1286059739.db2.gz ZGHZVSZOXSDJGW-MWLCHTKSSA-N -2 3 367.362 0.455 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC001593276049 1286059817 /nfs/dbraw/zinc/05/98/17/1286059817.db2.gz JIFVULGSTOVAID-UHFFFAOYSA-N -2 3 355.351 0.539 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC001593276049 1286059818 /nfs/dbraw/zinc/05/98/18/1286059818.db2.gz JIFVULGSTOVAID-UHFFFAOYSA-N -2 3 355.351 0.539 20 0 FCADHL O=C([O-])CC[C@@H]1CCCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001593278016 1286059931 /nfs/dbraw/zinc/05/99/31/1286059931.db2.gz NIFDKCFYMNKTGK-JTQLQIEISA-N -2 3 366.403 0.527 20 0 FCADHL O=C([O-])CC[C@@H]1CCCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001593278016 1286059938 /nfs/dbraw/zinc/05/99/38/1286059938.db2.gz NIFDKCFYMNKTGK-JTQLQIEISA-N -2 3 366.403 0.527 20 0 FCADHL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3cc(-c4nnn[n-]4)ccc3Cl)C[C@@H]21 ZINC001593279160 1286061905 /nfs/dbraw/zinc/06/19/05/1286061905.db2.gz UPELZWVMVRMYGO-VROVMSAKSA-N -2 3 369.790 0.471 20 0 FCADHL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3Cl)C[C@@H]21 ZINC001593279160 1286061908 /nfs/dbraw/zinc/06/19/08/1286061908.db2.gz UPELZWVMVRMYGO-VROVMSAKSA-N -2 3 369.790 0.471 20 0 FCADHL O=C([O-])CN(C1CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593278460 1286061985 /nfs/dbraw/zinc/06/19/85/1286061985.db2.gz GXIHSYPLDJWAOI-UHFFFAOYSA-N -2 3 357.417 0.946 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001593279393 1286063114 /nfs/dbraw/zinc/06/31/14/1286063114.db2.gz JENBGGIUCPVUKE-VIFPVBQESA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001593279393 1286063118 /nfs/dbraw/zinc/06/31/18/1286063118.db2.gz JENBGGIUCPVUKE-VIFPVBQESA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])Cc1csc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001593279377 1286063395 /nfs/dbraw/zinc/06/33/95/1286063395.db2.gz IEOJDEPQAUTNJN-UHFFFAOYSA-N -2 3 360.355 0.968 20 0 FCADHL O=S(=O)([N-]C[C@@H]1CC[C@@H](O)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593437084 1286158105 /nfs/dbraw/zinc/15/81/05/1286158105.db2.gz CQVLWQNJOQDVDC-VXNVDRBHSA-N -2 3 359.358 0.584 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2cncn2)cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593445181 1286159704 /nfs/dbraw/zinc/15/97/04/1286159704.db2.gz AXYIYVIDKHTVCH-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=c1cc(CN2C[C@@H](O)Cc3ccccc32)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593538758 1286198714 /nfs/dbraw/zinc/19/87/14/1286198714.db2.gz DYLQXJGLXHKCSV-LBPRGKRZSA-N -2 3 364.369 0.539 20 0 FCADHL O=c1cc(CSc2nnnn2C2CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593539365 1286199592 /nfs/dbraw/zinc/19/95/92/1286199592.db2.gz NRSPUTNQNSREFJ-UHFFFAOYSA-N -2 3 357.363 0.229 20 0 FCADHL O=c1cc(CN2CCOC[C@@H]2c2ccco2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593538825 1286200034 /nfs/dbraw/zinc/20/00/34/1286200034.db2.gz ITJAKRAYVFWNJA-GFCCVEGCSA-N -2 3 368.357 0.782 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCOCC1 ZINC001598724332 1286400808 /nfs/dbraw/zinc/40/08/08/1286400808.db2.gz MAWHVEFWJRFYEY-UHFFFAOYSA-N -2 3 357.384 0.526 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C2)n1 ZINC001600064441 1286435031 /nfs/dbraw/zinc/43/50/31/1286435031.db2.gz NIVGQDWEMJOAQH-GFCCVEGCSA-N -2 3 372.447 0.634 20 0 FCADHL Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O ZINC001600073776 1286437309 /nfs/dbraw/zinc/43/73/09/1286437309.db2.gz ZTIJLNNIYAGAQL-VDTYLAMSSA-N -2 3 358.235 0.931 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C(C)C)N2CCOCC2)oc1C(=O)[O-] ZINC001600299854 1286472539 /nfs/dbraw/zinc/47/25/39/1286472539.db2.gz VWUOYCCLAQVSSZ-LBPRGKRZSA-N -2 3 360.432 0.921 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CC[S@@](=O)CC(F)(F)F)oc1C(=O)[O-] ZINC001600299707 1286472561 /nfs/dbraw/zinc/47/25/61/1286472561.db2.gz GAEHBJHAXCJQPQ-OAQYLSRUSA-N -2 3 363.335 0.876 20 0 FCADHL Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)[C@]2(CO)CCCO2)oc1C(=O)[O-] ZINC001600298254 1286472589 /nfs/dbraw/zinc/47/25/89/1286472589.db2.gz ZCSYEVBZGNZCHL-DZGCQCFKSA-N -2 3 359.400 0.885 20 0 FCADHL Cc1ccc(C(=O)[O-])c2c1N(Cc1cc(=O)n3nc(N)[n-]c3n1)CCC2 ZINC001600351031 1286480656 /nfs/dbraw/zinc/48/06/56/1286480656.db2.gz XFGDJXDRWIQDJI-UHFFFAOYSA-N -2 3 354.370 0.959 20 0 FCADHL CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC001609307043 1289078402 /nfs/dbraw/zinc/07/84/02/1289078402.db2.gz MNIOHONVUWVXCK-LLVKDONJSA-N -2 3 371.806 0.750 20 0 FCADHL CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC001609307043 1289078410 /nfs/dbraw/zinc/07/84/10/1289078410.db2.gz MNIOHONVUWVXCK-LLVKDONJSA-N -2 3 371.806 0.750 20 0 FCADHL CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001609307240 1289078795 /nfs/dbraw/zinc/07/87/95/1289078795.db2.gz TZXYARNNHSHECL-GFCCVEGCSA-N -2 3 353.404 0.484 20 0 FCADHL CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001609307240 1289078801 /nfs/dbraw/zinc/07/88/01/1289078801.db2.gz TZXYARNNHSHECL-GFCCVEGCSA-N -2 3 353.404 0.484 20 0 FCADHL COC(=O)c1cccc(CS(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)c1 ZINC001609306172 1289078835 /nfs/dbraw/zinc/07/88/35/1289078835.db2.gz WRHHOXQFHSVZSQ-UHFFFAOYSA-N -2 3 374.382 0.990 20 0 FCADHL CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001609306840 1289078922 /nfs/dbraw/zinc/07/89/22/1289078922.db2.gz DIOISFHTQWVPBK-GFCCVEGCSA-N -2 3 351.388 0.238 20 0 FCADHL CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001609306840 1289078926 /nfs/dbraw/zinc/07/89/26/1289078926.db2.gz DIOISFHTQWVPBK-GFCCVEGCSA-N -2 3 351.388 0.238 20 0 FCADHL Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC001600511885 1286500823 /nfs/dbraw/zinc/50/08/23/1286500823.db2.gz HXLZJFCTSVLCFA-UHFFFAOYSA-N -2 3 369.424 0.858 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CO)Cc2cccc(C)c2)c1C(=O)[O-] ZINC001600528957 1286502042 /nfs/dbraw/zinc/50/20/42/1286502042.db2.gz HHPRHWXFBUUHCG-LBPRGKRZSA-N -2 3 353.400 0.607 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2N2CCOCC2)c1C(=O)[O-] ZINC001600672463 1286521915 /nfs/dbraw/zinc/52/19/15/1286521915.db2.gz CHVXXEMWIGIJSK-NWDGAFQWSA-N -2 3 372.447 0.338 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCOC3(CCOCC3)C2)c1C(=O)[O-] ZINC001600672271 1286521947 /nfs/dbraw/zinc/52/19/47/1286521947.db2.gz BNJCIRUHHZHRFO-JTQLQIEISA-N -2 3 359.404 0.423 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1C(=O)[O-] ZINC001600673511 1286525105 /nfs/dbraw/zinc/52/51/05/1286525105.db2.gz HKWAWABIXHDTNZ-UAZSFQMZSA-N -2 3 373.431 0.667 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1C(=O)[O-] ZINC001600673444 1286525182 /nfs/dbraw/zinc/52/51/82/1286525182.db2.gz QNESZFDDANHSKB-BDAKNGLRSA-N -2 3 365.433 0.050 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC(=O)OC2CCCCC2)c1C(=O)[O-] ZINC001600673489 1286525217 /nfs/dbraw/zinc/52/52/17/1286525217.db2.gz GGCMOQVMOPSJSS-UHFFFAOYSA-N -2 3 359.404 0.961 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2nncn2-c2ccccc2)c1C(=O)[O-] ZINC001600673525 1286525424 /nfs/dbraw/zinc/52/54/24/1286525424.db2.gz IABBCHDPDFIMDD-UHFFFAOYSA-N -2 3 362.371 0.476 20 0 FCADHL Cc1nc(C[N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])sc1C(N)=O ZINC001600701985 1286529285 /nfs/dbraw/zinc/52/92/85/1286529285.db2.gz UIKLHBUXVCELMZ-UHFFFAOYSA-N -2 3 373.387 0.866 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001600809749 1286550570 /nfs/dbraw/zinc/55/05/70/1286550570.db2.gz JKRVRLNGCIYURQ-NHYWBVRUSA-N -2 3 371.415 0.283 20 0 FCADHL Cc1noc([C@H]2OCC[C@H]2[N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)n1 ZINC001600816877 1286552391 /nfs/dbraw/zinc/55/23/91/1286552391.db2.gz CBJLVCSSTDWVPC-MNOVXSKESA-N -2 3 359.404 0.772 20 0 FCADHL Cn1cc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1C(=O)[O-] ZINC001600960907 1286581603 /nfs/dbraw/zinc/58/16/03/1286581603.db2.gz PKNDFZBEUCCEJT-UHFFFAOYSA-N -2 3 360.252 0.115 20 0 FCADHL Cn1ccnc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001600983745 1286588519 /nfs/dbraw/zinc/58/85/19/1286588519.db2.gz AOAYUOWMARSQGO-MWLCHTKSSA-N -2 3 355.372 0.910 20 0 FCADHL Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001600997634 1286593697 /nfs/dbraw/zinc/59/36/97/1286593697.db2.gz RCAXKVHDVXJLIZ-UHFFFAOYSA-N -2 3 365.396 0.860 20 0 FCADHL NC(=O)c1csc(C[N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC001601171969 1286674246 /nfs/dbraw/zinc/67/42/46/1286674246.db2.gz HSXWTYGEOFWAMA-UHFFFAOYSA-N -2 3 359.360 0.558 20 0 FCADHL O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001601322783 1286727400 /nfs/dbraw/zinc/72/74/00/1286727400.db2.gz ZBBGXQIMQNRMEO-FZMZJTMJSA-N -2 3 350.371 0.508 20 0 FCADHL O=C([O-])[C@H](CO)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001601420501 1286743053 /nfs/dbraw/zinc/74/30/53/1286743053.db2.gz USJBTXCOIZRJSG-JTQLQIEISA-N -2 3 355.144 0.466 20 0 FCADHL O=C([O-])[C@]12CN(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)C[C@H]1CCCC2 ZINC001601435588 1286747137 /nfs/dbraw/zinc/74/71/37/1286747137.db2.gz DXUDJKKTGSXIFE-JDNHERCYSA-N -2 3 362.390 0.806 20 0 FCADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)[C@H]1CCOC1 ZINC001601655871 1286802243 /nfs/dbraw/zinc/80/22/43/1286802243.db2.gz VJSUKNVTGWJEBO-CBAPKCEASA-N -2 3 352.771 0.890 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@@H]([C@H]2CCCO2)C1 ZINC001601825508 1286844501 /nfs/dbraw/zinc/84/45/01/1286844501.db2.gz YPWGQJHRRZPVRJ-LERXQTSPSA-N -2 3 372.385 0.746 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@@H]([C@H]2CCCO2)C1 ZINC001601825508 1286844516 /nfs/dbraw/zinc/84/45/16/1286844516.db2.gz YPWGQJHRRZPVRJ-LERXQTSPSA-N -2 3 372.385 0.746 20 0 FCADHL O=C([O-])/C=C/c1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001601887353 1286861796 /nfs/dbraw/zinc/86/17/96/1286861796.db2.gz SHWPFVDKLJNPQX-ZZXKWVIFSA-N -2 3 368.411 0.612 20 0 FCADHL O=C([O-])CCNC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001602021318 1286904748 /nfs/dbraw/zinc/90/47/48/1286904748.db2.gz IJGQUNQRTCWFAT-GFCCVEGCSA-N -2 3 364.354 0.131 20 0 FCADHL COc1cc(C[N-]S(=O)(=O)c2c(N)noc2C)ccc1-c1nnn[n-]1 ZINC001609345499 1289113043 /nfs/dbraw/zinc/11/30/43/1289113043.db2.gz KMJYFCONAVZMIQ-UHFFFAOYSA-N -2 3 365.375 0.232 20 0 FCADHL COc1cc(C[N-]S(=O)(=O)c2c(N)noc2C)ccc1-c1nn[n-]n1 ZINC001609345499 1289113046 /nfs/dbraw/zinc/11/30/46/1289113046.db2.gz KMJYFCONAVZMIQ-UHFFFAOYSA-N -2 3 365.375 0.232 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H](CO)[C@@H]2CCOC2)c1F ZINC001602225594 1286972500 /nfs/dbraw/zinc/97/25/00/1286972500.db2.gz DPGYXKOBSYZMQR-RKDXNWHRSA-N -2 3 365.354 0.586 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c1F ZINC001602266643 1286977689 /nfs/dbraw/zinc/97/76/89/1286977689.db2.gz KUEJZGXGGZNHBW-LBPRGKRZSA-N -3 3 367.738 0.699 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCc1cccc2c1OCCO2 ZINC001602506635 1287017100 /nfs/dbraw/zinc/01/71/00/1287017100.db2.gz IRMFWPDHEKVRFI-UHFFFAOYSA-N -2 3 353.356 0.400 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC001602556644 1287025642 /nfs/dbraw/zinc/02/56/42/1287025642.db2.gz KBGWQRYSECZQDU-GFCCVEGCSA-N -2 3 371.415 0.936 20 0 FCADHL O=C([O-])c1nccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC001602573362 1287029425 /nfs/dbraw/zinc/02/94/25/1287029425.db2.gz MUKDQISUUXBDMK-UHFFFAOYSA-N -2 3 358.326 0.265 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1cccnc1-n1cccn1 ZINC001602582670 1287030989 /nfs/dbraw/zinc/03/09/89/1287030989.db2.gz HEVAVMLMPWHHIR-UHFFFAOYSA-N -2 3 365.396 0.901 20 0 FCADHL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001602956544 1287170389 /nfs/dbraw/zinc/17/03/89/1287170389.db2.gz XZJIOGQEZAFCHY-UHFFFAOYSA-N -2 3 359.371 0.443 20 0 FCADHL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001602956544 1287170392 /nfs/dbraw/zinc/17/03/92/1287170392.db2.gz XZJIOGQEZAFCHY-UHFFFAOYSA-N -2 3 359.371 0.443 20 0 FCADHL COC(=O)c1coc(C[N-]S(=O)(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001604990645 1287827570 /nfs/dbraw/zinc/82/75/70/1287827570.db2.gz WMVOCTMEYSEZLZ-UHFFFAOYSA-N -2 3 370.372 0.181 20 0 FCADHL COC(=O)c1coc(C[N-]S(=O)(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001604990645 1287827575 /nfs/dbraw/zinc/82/75/75/1287827575.db2.gz WMVOCTMEYSEZLZ-UHFFFAOYSA-N -2 3 370.372 0.181 20 0 FCADHL CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001605030883 1287841418 /nfs/dbraw/zinc/84/14/18/1287841418.db2.gz QEVNUNWZOYMXHY-NWDGAFQWSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001605030883 1287841422 /nfs/dbraw/zinc/84/14/22/1287841422.db2.gz QEVNUNWZOYMXHY-NWDGAFQWSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001605036086 1287843962 /nfs/dbraw/zinc/84/39/62/1287843962.db2.gz DSIOHEXEMFOGNL-HZMBPMFUSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001605036086 1287843971 /nfs/dbraw/zinc/84/39/71/1287843971.db2.gz DSIOHEXEMFOGNL-HZMBPMFUSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001605036093 1287845201 /nfs/dbraw/zinc/84/52/01/1287845201.db2.gz DSIOHEXEMFOGNL-YGRLFVJLSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001605036093 1287845206 /nfs/dbraw/zinc/84/52/06/1287845206.db2.gz DSIOHEXEMFOGNL-YGRLFVJLSA-N -2 3 367.387 0.119 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001605063416 1287862612 /nfs/dbraw/zinc/86/26/12/1287862612.db2.gz LFWRMSBTFRQGJS-UHFFFAOYSA-N -2 3 369.378 0.378 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001605063416 1287862616 /nfs/dbraw/zinc/86/26/16/1287862616.db2.gz LFWRMSBTFRQGJS-UHFFFAOYSA-N -2 3 369.378 0.378 20 0 FCADHL COCC1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC001605067592 1287864341 /nfs/dbraw/zinc/86/43/41/1287864341.db2.gz CNTWFOBTEQRVFM-UHFFFAOYSA-N -2 3 359.358 0.850 20 0 FCADHL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(=O)[nH]1 ZINC001609397201 1289137327 /nfs/dbraw/zinc/13/73/27/1289137327.db2.gz KCSICBPAYDJOAR-UHFFFAOYSA-N -2 3 374.382 0.703 20 0 FCADHL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(=O)[nH]1 ZINC001609397201 1289137330 /nfs/dbraw/zinc/13/73/30/1289137330.db2.gz KCSICBPAYDJOAR-UHFFFAOYSA-N -2 3 374.382 0.703 20 0 FCADHL COCCCn1nc(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC001605094330 1287878624 /nfs/dbraw/zinc/87/86/24/1287878624.db2.gz HFYYQMRIRUSAPS-UHFFFAOYSA-N -2 3 371.357 0.184 20 0 FCADHL COCCCn1nc(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC001605094330 1287878630 /nfs/dbraw/zinc/87/86/30/1287878630.db2.gz HFYYQMRIRUSAPS-UHFFFAOYSA-N -2 3 371.357 0.184 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2cc(C)cc(-c3nn[n-]n3)c2)cn1 ZINC001605125599 1287890449 /nfs/dbraw/zinc/89/04/49/1287890449.db2.gz RVKYOGDHDVLGKQ-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1 ZINC001609416895 1289143482 /nfs/dbraw/zinc/14/34/82/1289143482.db2.gz UOJXGYCWNAIDHO-GFCCVEGCSA-N -2 3 351.388 0.707 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1nccnc1-c1nnn[n-]1 ZINC001605431391 1287959920 /nfs/dbraw/zinc/95/99/20/1287959920.db2.gz NXIUSSPOPYFUOL-ZJUUUORDSA-N -2 3 367.373 0.155 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1nccnc1-c1nn[n-]n1 ZINC001605431391 1287959924 /nfs/dbraw/zinc/95/99/24/1287959924.db2.gz NXIUSSPOPYFUOL-ZJUUUORDSA-N -2 3 367.373 0.155 20 0 FCADHL Cc1cccc(S(=O)(=O)N(C)CC(C)(C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001609433830 1289149429 /nfs/dbraw/zinc/14/94/29/1289149429.db2.gz DDVGFDDBNJSDQH-UHFFFAOYSA-N -2 3 353.404 0.906 20 0 FCADHL Cc1cccc(S(=O)(=O)N(C)CC(C)(C)C(=O)[O-])c1-c1nn[n-]n1 ZINC001609433830 1289149432 /nfs/dbraw/zinc/14/94/32/1289149432.db2.gz DDVGFDDBNJSDQH-UHFFFAOYSA-N -2 3 353.404 0.906 20 0 FCADHL CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001605735316 1288067278 /nfs/dbraw/zinc/06/72/78/1288067278.db2.gz FGDIDXFBFKSFLK-IMXIGIQMSA-N -2 3 363.461 0.774 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001605795803 1288088432 /nfs/dbraw/zinc/08/84/32/1288088432.db2.gz LMSIIAIMEQZIIA-CABZTGNLSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001605795803 1288088436 /nfs/dbraw/zinc/08/84/36/1288088436.db2.gz LMSIIAIMEQZIIA-CABZTGNLSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001605801852 1288090369 /nfs/dbraw/zinc/09/03/69/1288090369.db2.gz YCWHTDRVIKRWNK-MRVPVSSYSA-N -2 3 361.330 0.562 20 0 FCADHL Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C2CC2)no1 ZINC001609448498 1289156721 /nfs/dbraw/zinc/15/67/21/1289156721.db2.gz IXVRBHXGTDUCCT-CYBMUJFWSA-N -2 3 365.375 0.755 20 0 FCADHL Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C2CC2)no1 ZINC001609448498 1289156722 /nfs/dbraw/zinc/15/67/22/1289156722.db2.gz IXVRBHXGTDUCCT-CYBMUJFWSA-N -2 3 365.375 0.755 20 0 FCADHL Cc1ncc(S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1-c1nnn[n-]1 ZINC001609456370 1289160812 /nfs/dbraw/zinc/16/08/12/1289160812.db2.gz NENIMPRIRZHQJH-LLVKDONJSA-N -2 3 354.392 0.205 20 0 FCADHL Cc1ncc(S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1-c1nn[n-]n1 ZINC001609456370 1289160814 /nfs/dbraw/zinc/16/08/14/1289160814.db2.gz NENIMPRIRZHQJH-LLVKDONJSA-N -2 3 354.392 0.205 20 0 FCADHL CN1C(=O)c2ccccc2[C@@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606195189 1288206370 /nfs/dbraw/zinc/20/63/70/1288206370.db2.gz NUFYTBOQZIWAQV-JTQLQIEISA-N -2 3 367.408 0.947 20 0 FCADHL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3cccc(-c4nnn[n-]4)n3)C2)cn1 ZINC001606238123 1288225697 /nfs/dbraw/zinc/22/56/97/1288225697.db2.gz XDFUZMCJCNCAND-WDEREUQCSA-N -2 3 354.374 0.690 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-])c(C)o1 ZINC001606303755 1288259581 /nfs/dbraw/zinc/25/95/81/1288259581.db2.gz VVVLIOCCOQWOHC-MRVPVSSYSA-N -2 3 361.372 0.721 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)CC(CO)C1 ZINC001606354722 1288270712 /nfs/dbraw/zinc/27/07/12/1288270712.db2.gz TZMGENNBCNCWMM-UHFFFAOYSA-N -2 3 363.432 0.255 20 0 FCADHL COC(=O)[C@H]1CCN(C(=O)c2cc(OC)c([O-])c(OC)c2)[C@@H](C(=O)[O-])C1 ZINC001606408109 1288292855 /nfs/dbraw/zinc/29/28/55/1288292855.db2.gz VDYPNBVXJJXTNK-GXSJLCMTSA-N -2 3 367.354 0.888 20 0 FCADHL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]CCC(=O)[O-] ZINC001606527998 1288364366 /nfs/dbraw/zinc/36/43/66/1288364366.db2.gz XKRLDYDLUXMZCD-UHFFFAOYSA-N -3 3 351.358 0.294 20 0 FCADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-] ZINC001606592812 1288399126 /nfs/dbraw/zinc/39/91/26/1288399126.db2.gz FOADWGOIYGIMQS-SNVBAGLBSA-N -2 3 365.791 0.629 20 0 FCADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@](C)(CO)C(=O)[O-] ZINC001606644269 1288421713 /nfs/dbraw/zinc/42/17/13/1288421713.db2.gz YOWDLPNIECTKRF-CQSZACIVSA-N -2 3 373.408 0.802 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])c[nH]c1=O)C1CCOCC1 ZINC001606682359 1288439518 /nfs/dbraw/zinc/43/95/18/1288439518.db2.gz BCMHLAWCMYIRPL-LBPRGKRZSA-N -2 3 360.388 0.669 20 0 FCADHL O=C([N-]C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1)C(F)(F)F ZINC001606730611 1288472941 /nfs/dbraw/zinc/47/29/41/1288472941.db2.gz XRTVRSCFCQRNEX-QMMMGPOBSA-N -2 3 356.312 0.552 20 0 FCADHL COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606804692 1288526071 /nfs/dbraw/zinc/52/60/71/1288526071.db2.gz DBJHDLWGPPAGMJ-LBPRGKRZSA-N -2 3 353.400 0.952 20 0 FCADHL COC[C@H](O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001606819463 1288531549 /nfs/dbraw/zinc/53/15/49/1288531549.db2.gz TWJRAXUDZTXCFC-SSDOTTSWSA-N -2 3 355.771 0.853 20 0 FCADHL O=C(NCc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001606838955 1288535492 /nfs/dbraw/zinc/53/54/92/1288535492.db2.gz QRDTUTHALAPQTL-UHFFFAOYSA-N -2 3 364.325 0.546 20 0 FCADHL O=C(NCc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001606838955 1288535493 /nfs/dbraw/zinc/53/54/93/1288535493.db2.gz QRDTUTHALAPQTL-UHFFFAOYSA-N -2 3 364.325 0.546 20 0 FCADHL O=C([N-]N1CCCNC1=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001606850169 1288540729 /nfs/dbraw/zinc/54/07/29/1288540729.db2.gz CHEQFMGHGUUVET-UHFFFAOYSA-N -2 3 354.330 0.582 20 0 FCADHL O=C([N-]N1CCCNC1=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001606850169 1288540736 /nfs/dbraw/zinc/54/07/36/1288540736.db2.gz CHEQFMGHGUUVET-UHFFFAOYSA-N -2 3 354.330 0.582 20 0 FCADHL O=C([N-]N1C(=O)c2ccccc2C1=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001606850313 1288541062 /nfs/dbraw/zinc/54/10/62/1288541062.db2.gz HELZBEUIGCGIGD-UHFFFAOYSA-N -2 3 369.728 0.856 20 0 FCADHL O=C([N-]N1C(=O)c2ccccc2C1=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001606850313 1288541066 /nfs/dbraw/zinc/54/10/66/1288541066.db2.gz HELZBEUIGCGIGD-UHFFFAOYSA-N -2 3 369.728 0.856 20 0 FCADHL COCCOC(=O)c1sc2[n-]c(CN(C)CC(=O)[O-])nc(=O)c2c1C ZINC001606899681 1288555233 /nfs/dbraw/zinc/55/52/33/1288555233.db2.gz GKGZGCUHPFCBCT-UHFFFAOYSA-N -2 3 369.399 0.613 20 0 FCADHL O=C([O-])CN(C1CCC1)S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001606958638 1288574654 /nfs/dbraw/zinc/57/46/54/1288574654.db2.gz ZNBNFHUELVYCHZ-UHFFFAOYSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])CN(C1CCC1)S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001606958638 1288574655 /nfs/dbraw/zinc/57/46/55/1288574655.db2.gz ZNBNFHUELVYCHZ-UHFFFAOYSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])CCCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001606959669 1288575294 /nfs/dbraw/zinc/57/52/94/1288575294.db2.gz DBUFXJAJODDVGN-UHFFFAOYSA-N -2 3 359.390 0.555 20 0 FCADHL O=C([O-])CCCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001606959669 1288575297 /nfs/dbraw/zinc/57/52/97/1288575297.db2.gz DBUFXJAJODDVGN-UHFFFAOYSA-N -2 3 359.390 0.555 20 0 FCADHL O=C([O-])[C@@H](CC1CC1)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001606959714 1288575598 /nfs/dbraw/zinc/57/55/98/1288575598.db2.gz LYJKJJZPTONGGM-GFCCVEGCSA-N -2 3 351.388 0.539 20 0 FCADHL O=C([O-])[C@@H](CC1CC1)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001606959714 1288575602 /nfs/dbraw/zinc/57/56/02/1288575602.db2.gz LYJKJJZPTONGGM-GFCCVEGCSA-N -2 3 351.388 0.539 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)c2cc(Cl)ccc2-c2nnn[n-]2)CCC1 ZINC001606961072 1288576370 /nfs/dbraw/zinc/57/63/70/1288576370.db2.gz WMGUMNAGBGKPIF-UHFFFAOYSA-N -2 3 357.779 0.806 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)c2cc(Cl)ccc2-c2nn[n-]n2)CCC1 ZINC001606961072 1288576372 /nfs/dbraw/zinc/57/63/72/1288576372.db2.gz WMGUMNAGBGKPIF-UHFFFAOYSA-N -2 3 357.779 0.806 20 0 FCADHL O=C([O-])[C@@H]1CN(c2cc(-c3nnn[n-]3)c(Br)cn2)CCO1 ZINC001606961513 1288576484 /nfs/dbraw/zinc/57/64/84/1288576484.db2.gz TYBBMRASMQQYDH-QMMMGPOBSA-N -2 3 355.152 0.314 20 0 FCADHL O=C([O-])[C@@H]1CN(c2cc(-c3nn[n-]n3)c(Br)cn2)CCO1 ZINC001606961513 1288576486 /nfs/dbraw/zinc/57/64/86/1288576486.db2.gz TYBBMRASMQQYDH-QMMMGPOBSA-N -2 3 355.152 0.314 20 0 FCADHL O=C([O-])CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001606960779 1288576505 /nfs/dbraw/zinc/57/65/05/1288576505.db2.gz MERCBHMKGPHABS-UHFFFAOYSA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001606960779 1288576507 /nfs/dbraw/zinc/57/65/07/1288576507.db2.gz MERCBHMKGPHABS-UHFFFAOYSA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606961130 1288576531 /nfs/dbraw/zinc/57/65/31/1288576531.db2.gz XAUQPHVFFQIDJS-JGVFFNPUSA-N -2 3 373.416 0.086 20 0 FCADHL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC001606961468 1288576669 /nfs/dbraw/zinc/57/66/69/1288576669.db2.gz RYNSPMMCJQKUKH-JTQLQIEISA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])C1=CC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606960322 1288576739 /nfs/dbraw/zinc/57/67/39/1288576739.db2.gz QIEACRUAUFMMJX-LLVKDONJSA-N -2 3 367.362 0.599 20 0 FCADHL O=C([O-])C1=CC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001606960322 1288576742 /nfs/dbraw/zinc/57/67/42/1288576742.db2.gz QIEACRUAUFMMJX-LLVKDONJSA-N -2 3 367.362 0.599 20 0 FCADHL O=C([O-])[C@H](CC1CC1)NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001606962127 1288578160 /nfs/dbraw/zinc/57/81/60/1288578160.db2.gz FPIVQIWMFXUXKH-LBPRGKRZSA-N -2 3 351.388 0.539 20 0 FCADHL O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001607014999 1288590993 /nfs/dbraw/zinc/59/09/93/1288590993.db2.gz HHFDCWXTKQUFSQ-VIFPVBQESA-N -2 3 355.362 0.180 20 0 FCADHL O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001607014999 1288590999 /nfs/dbraw/zinc/59/09/99/1288590999.db2.gz HHFDCWXTKQUFSQ-VIFPVBQESA-N -2 3 355.362 0.180 20 0 FCADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001607453358 1288710762 /nfs/dbraw/zinc/71/07/62/1288710762.db2.gz GPTWWZHCXKJDQF-SCSAIBSYSA-N -3 3 356.150 0.882 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)c(Br)n1 ZINC001608121870 1288775253 /nfs/dbraw/zinc/77/52/53/1288775253.db2.gz IDTWDWWYRZTIEH-JTQLQIEISA-N -2 3 352.210 0.714 20 0 FCADHL Cn1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)c1 ZINC001608135879 1288779140 /nfs/dbraw/zinc/77/91/40/1288779140.db2.gz WNERVCSWTTWLTH-UHFFFAOYSA-N -2 3 364.177 0.952 20 0 FCADHL NC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-])c1ccccn1 ZINC001608227816 1288793938 /nfs/dbraw/zinc/79/39/38/1288793938.db2.gz FHTUBFLLVMOKLU-GFCCVEGCSA-N -2 3 353.331 0.424 20 0 FCADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1ccccn1 ZINC001608228892 1288794804 /nfs/dbraw/zinc/79/48/04/1288794804.db2.gz ZUFRADGTMBCDRQ-AJHXJQRKSA-N -2 3 361.379 0.684 20 0 FCADHL O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC001608415800 1288839681 /nfs/dbraw/zinc/83/96/81/1288839681.db2.gz QHUCYALEGXOEFL-AWEZNQCLSA-N -2 3 360.288 0.988 20 0 FCADHL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001608716140 1288868527 /nfs/dbraw/zinc/86/85/27/1288868527.db2.gz YEQHFKZVESIGJN-CYBMUJFWSA-N -2 3 351.359 0.199 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)n[nH]1 ZINC001608861143 1288878031 /nfs/dbraw/zinc/87/80/31/1288878031.db2.gz RZOXDOBWDSMBDN-SSDOTTSWSA-N -2 3 353.282 0.386 20 0 FCADHL CC(C)C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)[O-] ZINC001609092950 1288914537 /nfs/dbraw/zinc/91/45/37/1288914537.db2.gz IPWWXQXRHAPKLB-QMMMGPOBSA-N -2 3 359.433 0.953 20 0 FCADHL CC(C)C[C@@H](CNS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001609093187 1288915214 /nfs/dbraw/zinc/91/52/14/1288915214.db2.gz SHCYCWKCARVRDA-JTQLQIEISA-N -2 3 354.392 0.287 20 0 FCADHL CC(C)C[C@@H](CNS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001609093187 1288915220 /nfs/dbraw/zinc/91/52/20/1288915220.db2.gz SHCYCWKCARVRDA-JTQLQIEISA-N -2 3 354.392 0.287 20 0 FCADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609125529 1288932360 /nfs/dbraw/zinc/93/23/60/1288932360.db2.gz DLFOKEUXMRZZMZ-RITPCOANSA-N -3 3 361.330 0.532 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCCOC1 ZINC001609142666 1288945486 /nfs/dbraw/zinc/94/54/86/1288945486.db2.gz HUPTVHBUHSOMSJ-CQSZACIVSA-N -2 3 351.388 0.488 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCCOC1 ZINC001609142666 1288945495 /nfs/dbraw/zinc/94/54/95/1288945495.db2.gz HUPTVHBUHSOMSJ-CQSZACIVSA-N -2 3 351.388 0.488 20 0 FCADHL CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609147040 1288948678 /nfs/dbraw/zinc/94/86/78/1288948678.db2.gz HNJARILTVKIOCS-JTQLQIEISA-N -2 3 373.341 0.375 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CO1 ZINC001609155336 1288954683 /nfs/dbraw/zinc/95/46/83/1288954683.db2.gz NHCWKZSCKJUJNY-ONGXEEELSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CO1 ZINC001609155336 1288954686 /nfs/dbraw/zinc/95/46/86/1288954686.db2.gz NHCWKZSCKJUJNY-ONGXEEELSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609154690 1288954852 /nfs/dbraw/zinc/95/48/52/1288954852.db2.gz HNYQUBXPNFGIEK-NOZJJQNGSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609154690 1288954855 /nfs/dbraw/zinc/95/48/55/1288954855.db2.gz HNYQUBXPNFGIEK-NOZJJQNGSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1CCCN1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001609167423 1288960895 /nfs/dbraw/zinc/96/08/95/1288960895.db2.gz XPSHOYJXWNQYKM-SECBINFHSA-N -2 3 354.440 0.959 20 0 FCADHL C[C@@H]1CCCN1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001609167423 1288960900 /nfs/dbraw/zinc/96/09/00/1288960900.db2.gz XPSHOYJXWNQYKM-SECBINFHSA-N -2 3 354.440 0.959 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001609168483 1288961600 /nfs/dbraw/zinc/96/16/00/1288961600.db2.gz CYCXOHKEARGZGL-CABZTGNLSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001609168483 1288961604 /nfs/dbraw/zinc/96/16/04/1288961604.db2.gz CYCXOHKEARGZGL-CABZTGNLSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C(=O)[O-])C1 ZINC001609168959 1288962398 /nfs/dbraw/zinc/96/23/98/1288962398.db2.gz SHPFNNGYPMVYRU-CABZTGNLSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)[O-])C1 ZINC001609168959 1288962403 /nfs/dbraw/zinc/96/24/03/1288962403.db2.gz SHPFNNGYPMVYRU-CABZTGNLSA-N -2 3 351.388 0.741 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1SCCS1 ZINC001609559820 1289224049 /nfs/dbraw/zinc/22/40/49/1289224049.db2.gz GXMLHPOYYVXBHN-UHFFFAOYSA-N -2 3 371.469 0.619 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1SCCS1 ZINC001609559820 1289224056 /nfs/dbraw/zinc/22/40/56/1289224056.db2.gz GXMLHPOYYVXBHN-UHFFFAOYSA-N -2 3 371.469 0.619 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ocnc1C1CC1 ZINC001609560311 1289225490 /nfs/dbraw/zinc/22/54/90/1289225490.db2.gz HASJQBSEZYIWLV-UHFFFAOYSA-N -2 3 360.355 0.851 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ocnc1C1CC1 ZINC001609560311 1289225493 /nfs/dbraw/zinc/22/54/93/1289225493.db2.gz HASJQBSEZYIWLV-UHFFFAOYSA-N -2 3 360.355 0.851 20 0 FCADHL O=C([O-])CCCCCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609572416 1289234798 /nfs/dbraw/zinc/23/47/98/1289234798.db2.gz WTWRZCPLZRZYIA-UHFFFAOYSA-N -2 3 353.404 0.931 20 0 FCADHL O=C([O-])CCCCCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609572416 1289234805 /nfs/dbraw/zinc/23/48/05/1289234805.db2.gz WTWRZCPLZRZYIA-UHFFFAOYSA-N -2 3 353.404 0.931 20 0 FCADHL CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)[C@@H]2C1 ZINC001609584140 1289239428 /nfs/dbraw/zinc/23/94/28/1289239428.db2.gz MDIPWTRSTMOPCN-QJPTWQEYSA-N -2 3 356.400 0.903 20 0 FCADHL CC(C)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)N1CCCC1 ZINC001609717547 1289286240 /nfs/dbraw/zinc/28/62/40/1289286240.db2.gz TYMQABMZTNXPBG-JTQLQIEISA-N -2 3 361.445 0.767 20 0 FCADHL COC(=O)CC[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C(=O)[O-] ZINC001610183168 1289414334 /nfs/dbraw/zinc/41/43/34/1289414334.db2.gz RVBMNKPKSGHKNA-LLVKDONJSA-N -2 3 368.292 0.943 20 0 FCADHL COC(=O)c1sc2[n-]c(CN(C)C[C@H](C)O)nc(=O)c2c1CC(=O)[O-] ZINC001610220925 1289430229 /nfs/dbraw/zinc/43/02/29/1289430229.db2.gz DSFOYTLVVMAMPI-ZETCQYMHSA-N -2 3 369.399 0.211 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001610225243 1289432090 /nfs/dbraw/zinc/43/20/90/1289432090.db2.gz MEMLIKCISHAWNM-WPRPVWTQSA-N -2 3 362.429 0.506 20 0 FCADHL Cc1nc(C)c(CC(=O)OCC(=O)NC2(C(=O)[O-])CCCCC2)c(=O)[n-]1 ZINC001610553711 1289507660 /nfs/dbraw/zinc/50/76/60/1289507660.db2.gz XFAMLLZLYOKYBG-UHFFFAOYSA-N -2 3 365.386 0.788 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(CC(N)=O)cc2)cc1C(=O)[O-] ZINC001610587296 1289517657 /nfs/dbraw/zinc/51/76/57/1289517657.db2.gz YBNGUFIYSZQVSU-UHFFFAOYSA-N -2 3 352.368 0.793 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001610735927 1289571819 /nfs/dbraw/zinc/57/18/19/1289571819.db2.gz RMGIMFMROCHSPH-ZJUUUORDSA-N -2 3 351.325 0.268 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)c1 ZINC001610867632 1289613299 /nfs/dbraw/zinc/61/32/99/1289613299.db2.gz NMAGIVKGVJRMOL-GFCCVEGCSA-N -2 3 365.367 0.847 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H](Cc1cccnc1)C(=O)[O-] ZINC001610871338 1289613587 /nfs/dbraw/zinc/61/35/87/1289613587.db2.gz HQIZRFVXBRUNBS-VIFPVBQESA-N -3 3 371.396 0.458 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1 ZINC001610872496 1289614182 /nfs/dbraw/zinc/61/41/82/1289614182.db2.gz DIOGNQTULWYOFU-UHFFFAOYSA-N -2 3 358.279 0.722 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1COc2ccccc2[C@H]1O ZINC001610873239 1289615955 /nfs/dbraw/zinc/61/59/55/1289615955.db2.gz QYCWUBMEABADMS-PRHODGIISA-N -2 3 356.381 0.614 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c1ccccc1 ZINC001610873700 1289616077 /nfs/dbraw/zinc/61/60/77/1289616077.db2.gz ZCWAAOLBJRTPSU-SECBINFHSA-N -3 3 356.381 0.988 20 0 FCADHL O=C([N-][C@@H]1CCO[C@H]1C1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C(F)(F)F ZINC001617911917 1289872353 /nfs/dbraw/zinc/87/23/53/1289872353.db2.gz WAADUZOPJHCSLV-KOLCDFICSA-N -2 3 363.340 0.558 20 0 FCADHL C[C@@H](CN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nn[n-]n1 ZINC001138058144 849295720 /nfs/dbraw/zinc/29/57/20/849295720.db2.gz UMZISFMWGCBUFX-QMMMGPOBSA-N -2 3 374.373 0.018 20 0 FCADHL CCOC(=O)c1snc(C(N)=O)c1[N-]C(=O)c1nnc2ccc[n-]c1-2 ZINC001153143713 849736844 /nfs/dbraw/zinc/73/68/44/849736844.db2.gz JAXSFFXDJLXWJQ-UHFFFAOYSA-N -2 3 360.355 0.942 20 0 FCADHL COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185566526 851364371 /nfs/dbraw/zinc/36/43/71/851364371.db2.gz PDJHJQYAHWMCCG-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185566526 851364380 /nfs/dbraw/zinc/36/43/80/851364380.db2.gz PDJHJQYAHWMCCG-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(O)c1 ZINC001185612501 851370659 /nfs/dbraw/zinc/37/06/59/851370659.db2.gz LJTQTMYXMXLMRS-UHFFFAOYSA-N -2 3 360.355 0.472 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(O)c1 ZINC001185612501 851370665 /nfs/dbraw/zinc/37/06/65/851370665.db2.gz LJTQTMYXMXLMRS-UHFFFAOYSA-N -2 3 360.355 0.472 20 0 FCADHL O=P([O-])([O-])CCCCNS(=O)(=O)c1ccc2nsnc2c1 ZINC001186283615 851424175 /nfs/dbraw/zinc/42/41/75/851424175.db2.gz XQTZOFSSTUSINU-UHFFFAOYSA-N -2 3 351.346 0.928 20 0 FCADHL O=C(NCCP(=O)([O-])[O-])NCc1cc(=O)oc2cc3c(cc12)OCO3 ZINC001192118575 852184587 /nfs/dbraw/zinc/18/45/87/852184587.db2.gz WWBQXABZDYWKAI-UHFFFAOYSA-N -2 3 370.254 0.499 20 0 FCADHL COc1ccc(C(=O)NCCCCP(=O)([O-])[O-])cc1S(C)(=O)=O ZINC001194245715 852564840 /nfs/dbraw/zinc/56/48/40/852564840.db2.gz FBTUONBCPXNWOX-UHFFFAOYSA-N -2 3 365.344 0.786 20 0 FCADHL COC(=O)CCC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195247813 852731840 /nfs/dbraw/zinc/73/18/40/852731840.db2.gz WVCVJTWGENLUOS-UHFFFAOYSA-N -2 3 365.310 0.464 20 0 FCADHL CC(=O)NC[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195259666 852733021 /nfs/dbraw/zinc/73/30/21/852733021.db2.gz KATIJEUBJPSDAR-SSDOTTSWSA-N -2 3 350.343 0.714 20 0 FCADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[nH]c(=S)[n-]c2=O)c1 ZINC001196021628 852871721 /nfs/dbraw/zinc/87/17/21/852871721.db2.gz UDQQQGCHXXOLJN-UHFFFAOYSA-N -2 3 356.385 0.337 20 0 FCADHL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCP(=O)([O-])[O-] ZINC001197914865 853185438 /nfs/dbraw/zinc/18/54/38/853185438.db2.gz KGESVDTZABFKBZ-UHFFFAOYSA-N -2 3 366.332 0.500 20 0 FCADHL CO[C@@H]1O[C@H](COc2nc3ncnc-3c([S-])[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001226781419 857125898 /nfs/dbraw/zinc/12/58/98/857125898.db2.gz AYCHGKCNCUZUTA-WOUKDFQISA-N -2 3 354.388 0.912 20 0 FCADHL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=S)nc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001228766748 857228002 /nfs/dbraw/zinc/22/80/02/857228002.db2.gz VCBZMVOWIZRLTP-OIBJUYFYSA-N -3 3 352.324 0.360 20 0 FCADHL Cc1csc2nc(=S)[n-]c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c12 ZINC001229352511 857266186 /nfs/dbraw/zinc/26/61/86/857266186.db2.gz IAEVPSAMQGBEGP-XRGYYRRGSA-N -3 3 372.380 0.730 20 0 FCADHL O=C([O-])C[C@H](C(=O)Oc1cc([O-])cc(Br)c1)[C@@H](O)C(=O)[O-] ZINC001231016310 857353602 /nfs/dbraw/zinc/35/36/02/857353602.db2.gz XADZNXLGRRMTQX-WCBMZHEXSA-N -3 3 363.116 0.597 20 0 FCADHL CCC(CO)(CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259222111 858249774 /nfs/dbraw/zinc/24/97/74/858249774.db2.gz IGDXWEWJYLGGCR-UHFFFAOYSA-N -2 3 355.771 0.589 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCOC2)c(F)cc1Cl ZINC001259224845 858250247 /nfs/dbraw/zinc/25/02/47/858250247.db2.gz RWNJHHSDFUNRNT-HQJQHLMTSA-N -2 3 367.782 0.853 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CNC(=O)O2)c(F)cc1Cl ZINC001259226680 858250398 /nfs/dbraw/zinc/25/03/98/858250398.db2.gz XZWBHVDDPIXQMW-YFKPBYRVSA-N -2 3 352.727 0.564 20 0 FCADHL CC(=O)N1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001259224599 858250465 /nfs/dbraw/zinc/25/04/65/858250465.db2.gz NQPIEUMEKVDANQ-UHFFFAOYSA-N -2 3 350.755 0.686 20 0 FCADHL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)C2CCOCC2)cc1 ZINC001259907705 858302184 /nfs/dbraw/zinc/30/21/84/858302184.db2.gz ZYYIDGVVRPHDGS-UHFFFAOYSA-N -2 3 362.429 0.432 20 0 FCADHL C[C@](O)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001261375708 858533151 /nfs/dbraw/zinc/53/31/51/858533151.db2.gz XJFNELXLRPCTBM-VIFPVBQESA-N -2 3 362.713 0.868 20 0 FCADHL C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001261375707 858533316 /nfs/dbraw/zinc/53/33/16/858533316.db2.gz XJFNELXLRPCTBM-SECBINFHSA-N -2 3 362.713 0.868 20 0 FCADHL Cc1cccc(CS(=O)(=O)CCC(=O)NCc2nc([O-])cc(=O)[n-]2)c1 ZINC001301575260 866271285 /nfs/dbraw/zinc/27/12/85/866271285.db2.gz HHPGIIZKALNCOL-UHFFFAOYSA-N -2 3 365.411 0.818 20 0 FCADHL C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1n[n-]c(C(F)(F)F)n1 ZINC001309896291 866955988 /nfs/dbraw/zinc/95/59/88/866955988.db2.gz RFJHFRBNCDXOLN-LURJTMIESA-N -2 3 361.371 0.981 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)nc1C ZINC001323328435 869149339 /nfs/dbraw/zinc/14/93/39/869149339.db2.gz VZWFGNWVJMNJNR-UHFFFAOYSA-N -2 3 353.404 0.371 20 0 FCADHL O=c1nc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)[n-]o1 ZINC001324157791 869489605 /nfs/dbraw/zinc/48/96/05/869489605.db2.gz NBZBHKGHIILPDK-UHFFFAOYSA-N -2 3 352.141 0.743 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001327313917 870785688 /nfs/dbraw/zinc/78/56/88/870785688.db2.gz SRPHLCPOTDSCOY-JTQLQIEISA-N -2 3 373.203 0.855 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3CCO)o1 ZINC000324862246 971164560 /nfs/dbraw/zinc/16/45/60/971164560.db2.gz OEYJVESJQNRWDA-SNVBAGLBSA-N -2 3 355.372 0.523 20 0 FCADHL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3n[nH]c(C)c3-c3nnn[n-]3)cc12 ZINC000826322221 947942973 /nfs/dbraw/zinc/94/29/73/947942973.db2.gz CYNLOTDNRIGJIH-UHFFFAOYSA-N -2 3 374.390 0.289 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC001574470547 949510143 /nfs/dbraw/zinc/51/01/43/949510143.db2.gz DYYLABIAZXTDFJ-UHFFFAOYSA-N -2 3 369.798 0.888 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC001574470547 949510156 /nfs/dbraw/zinc/51/01/56/949510156.db2.gz DYYLABIAZXTDFJ-UHFFFAOYSA-N -2 3 369.798 0.888 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)n1 ZINC001574470736 949514366 /nfs/dbraw/zinc/51/43/66/949514366.db2.gz FVBMSTUTLPXRFP-UHFFFAOYSA-N -2 3 353.343 0.374 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC001574470736 949514383 /nfs/dbraw/zinc/51/43/83/949514383.db2.gz FVBMSTUTLPXRFP-UHFFFAOYSA-N -2 3 353.343 0.374 20 0 FCADHL CC(C)(C)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1nc(=O)o[n-]1 ZINC001573822839 949808488 /nfs/dbraw/zinc/80/84/88/949808488.db2.gz NYKSBLPXNXMEOQ-GFCCVEGCSA-N -2 3 373.373 0.825 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001570960146 949980135 /nfs/dbraw/zinc/98/01/35/949980135.db2.gz ATPNOERBYCCEJA-DTORHVGOSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001570960146 949980186 /nfs/dbraw/zinc/98/01/86/949980186.db2.gz ATPNOERBYCCEJA-DTORHVGOSA-N -2 3 353.346 0.130 20 0 FCADHL C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001574746721 950397572 /nfs/dbraw/zinc/39/75/72/950397572.db2.gz ONFGGHNCWYTWGX-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001574746721 950397593 /nfs/dbraw/zinc/39/75/93/950397593.db2.gz ONFGGHNCWYTWGX-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL C[C@@H]1[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccccc1[O-] ZINC001575918476 950595820 /nfs/dbraw/zinc/59/58/20/950595820.db2.gz CHGTYLAGUKCREN-ZYHUDNBSSA-N -2 3 366.385 0.499 20 0 FCADHL C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001575925117 950679456 /nfs/dbraw/zinc/67/94/56/950679456.db2.gz STGFISPUUYCZSQ-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001575925117 950679476 /nfs/dbraw/zinc/67/94/76/950679476.db2.gz STGFISPUUYCZSQ-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ncccc1[O-] ZINC001575933272 950841264 /nfs/dbraw/zinc/84/12/64/950841264.db2.gz NSZLYXJRRVKCDO-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncccc1[O-] ZINC001575933272 950841282 /nfs/dbraw/zinc/84/12/82/950841282.db2.gz NSZLYXJRRVKCDO-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1ncccc1[O-] ZINC001575011169 950849514 /nfs/dbraw/zinc/84/95/14/950849514.db2.gz NHENEQPRULFOBQ-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncccc1[O-] ZINC001575938021 950964744 /nfs/dbraw/zinc/96/47/44/950964744.db2.gz MKLCTKSNODJKAI-NXEZZACHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncccc1[O-] ZINC001575938021 950964765 /nfs/dbraw/zinc/96/47/65/950964765.db2.gz MKLCTKSNODJKAI-NXEZZACHSA-N -2 3 367.373 0.472 20 0 FCADHL O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1cccc([O-])c1F ZINC001571000564 951118140 /nfs/dbraw/zinc/11/81/40/951118140.db2.gz UNPIYZJWRYWXKK-UHFFFAOYSA-N -2 3 361.293 0.003 20 0 FCADHL O=C([O-])Cn1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1=O ZINC001595156125 952168318 /nfs/dbraw/zinc/16/83/18/952168318.db2.gz FNNGBOVRKDODOD-UHFFFAOYSA-N -2 3 358.289 0.504 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001595169166 952217891 /nfs/dbraw/zinc/21/78/91/952217891.db2.gz GCTGDQCIBBJUQH-NSHDSACASA-N -2 3 356.404 0.333 20 0 FCADHL CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001593780032 954635911 /nfs/dbraw/zinc/63/59/11/954635911.db2.gz HQSLYZKGWOZORI-KXUCPTDWSA-N -2 3 351.325 0.203 20 0 FCADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593867895 955603474 /nfs/dbraw/zinc/60/34/74/955603474.db2.gz QDAFLGXWVALCIL-RKDXNWHRSA-N -2 3 368.342 0.796 20 0 FCADHL CO[C@H](C(=O)[O-])C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001593910864 955962620 /nfs/dbraw/zinc/96/26/20/955962620.db2.gz CGGQNSXGCUAMBS-JTQLQIEISA-N -2 3 373.774 0.934 20 0 FCADHL CO[C@H](C(=O)[O-])C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001593910864 955962625 /nfs/dbraw/zinc/96/26/25/955962625.db2.gz CGGQNSXGCUAMBS-JTQLQIEISA-N -2 3 373.774 0.934 20 0 FCADHL Cn1ncc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])c1Br ZINC001594586631 956004124 /nfs/dbraw/zinc/00/41/24/956004124.db2.gz WAUNOSTTZRLWDQ-RQJHMYQMSA-N -2 3 352.210 0.714 20 0 FCADHL CON(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](C)C(=O)[O-] ZINC001594036035 957813299 /nfs/dbraw/zinc/81/32/99/957813299.db2.gz PQPVEEBAEINLQU-LURJTMIESA-N -2 3 356.809 0.543 20 0 FCADHL O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3nnn[n-]3)cn1)O2 ZINC001605769260 972465432 /nfs/dbraw/zinc/46/54/32/972465432.db2.gz HZLXLCLOYMNONB-CSJGVYOVSA-N -2 3 358.358 0.404 20 0 FCADHL O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3nn[n-]n3)cn1)O2 ZINC001605769260 972465437 /nfs/dbraw/zinc/46/54/37/972465437.db2.gz HZLXLCLOYMNONB-CSJGVYOVSA-N -2 3 358.358 0.404 20 0 FCADHL O=C([O-])CC1(C(=O)NCCNC(=O)c2ccc([O-])cc2)CCOCC1 ZINC001574671291 962551595 /nfs/dbraw/zinc/55/15/95/962551595.db2.gz DZRSWFIIIUVDQT-UHFFFAOYSA-N -2 3 350.371 0.510 20 0 FCADHL O=C([O-])CN1CCCC[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1=O ZINC001574723414 962796682 /nfs/dbraw/zinc/79/66/82/962796682.db2.gz HJMNONGUASUYNJ-LBPRGKRZSA-N -2 3 358.354 0.531 20 0 FCADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000314624737 963779728 /nfs/dbraw/zinc/77/97/28/963779728.db2.gz KCIDALMAWQZUCE-NSHDSACASA-N -2 3 350.349 0.973 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CCCOCCO)c1F ZINC000320116807 970616113 /nfs/dbraw/zinc/61/61/13/970616113.db2.gz APSJQZFTZXOCBI-UHFFFAOYSA-N -2 3 355.771 0.855 20 0 FCADHL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([O-])cn1 ZINC001605971312 972981748 /nfs/dbraw/zinc/98/17/48/972981748.db2.gz WZMUHUQBKHTPRY-PSASIEDQSA-N -3 3 361.276 0.524 20 0 FCADHL Cc1nc(C)c(CCC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c(=O)[n-]1 ZINC001605400627 973384088 /nfs/dbraw/zinc/38/40/88/973384088.db2.gz BEPPSDRUKPDXJV-ZDUSSCGKSA-N -2 3 364.402 0.314 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])ccc1F ZINC001591667044 975420628 /nfs/dbraw/zinc/42/06/28/975420628.db2.gz YXWYVFJJGGUJGX-ZYHUDNBSSA-N -2 3 374.390 0.172 20 0 FCADHL CC(C)OC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001591730726 975698055 /nfs/dbraw/zinc/69/80/55/975698055.db2.gz IWCNIPHOBNTXKP-QMMMGPOBSA-N -3 3 367.326 0.820 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCn2cc(Br)cn2)c1 ZINC000694159432 976672800 /nfs/dbraw/zinc/67/28/00/976672800.db2.gz OBESETXBPYCSDU-UHFFFAOYSA-N -2 3 364.177 0.915 20 0 FCADHL C[C@@H](/C=C/C(=O)[O-])NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001592212653 977269533 /nfs/dbraw/zinc/26/95/33/977269533.db2.gz TVYVFDDEICFLQD-HFSLJOEWSA-N -2 3 366.392 0.505 20 0 FCADHL C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001592212656 977269558 /nfs/dbraw/zinc/26/95/58/977269558.db2.gz TVYVFDDEICFLQD-WAXIIBMWSA-N -2 3 366.392 0.505 20 0 FCADHL C[C@@H](CSCC[N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001592825939 979547083 /nfs/dbraw/zinc/54/70/83/979547083.db2.gz PLBVBFNUTDJRIQ-LURJTMIESA-N -3 3 354.431 0.574 20 0 FCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@H]1CCCOC1 ZINC001596541264 984381428 /nfs/dbraw/zinc/38/14/28/984381428.db2.gz BQSCXVDFWIEGBS-CABZTGNLSA-N -2 3 361.372 0.614 20 0 FCADHL CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)[C@H]2C1 ZINC001589055599 985157919 /nfs/dbraw/zinc/15/79/19/985157919.db2.gz CNXAUTNGUKPSQM-DRZSPHRISA-N -2 3 356.400 0.903 20 0 FCADHL C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001594507463 985728921 /nfs/dbraw/zinc/72/89/21/985728921.db2.gz OHIOKIHQPHPJBN-OASQACQPSA-N -2 3 365.430 0.676 20 0 FCADHL CSCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(N)=O ZINC001599801580 988185747 /nfs/dbraw/zinc/18/57/47/988185747.db2.gz OGCLURMUNYESFH-ZETCQYMHSA-N -2 3 368.383 0.548 20 0 FCADHL CC(C)(C)OC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001590016052 988991173 /nfs/dbraw/zinc/99/11/73/988991173.db2.gz ULLWGISICNLVRC-SECBINFHSA-N -2 3 374.419 0.786 20 0 FCADHL CC(C)(C)OC(=O)N1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CO1 ZINC001590097230 989225926 /nfs/dbraw/zinc/22/59/26/989225926.db2.gz IBBNWTSQKKBTNS-VIFPVBQESA-N -2 3 362.360 0.807 20 0 FCADHL CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC001590344015 989795206 /nfs/dbraw/zinc/79/52/06/989795206.db2.gz UHFWALZDTPMCKB-QWRGUYRKSA-N -2 3 351.421 0.517 20 0 FCADHL CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)c1cc(C(=O)[O-])on1 ZINC001598284065 991179754 /nfs/dbraw/zinc/17/97/54/991179754.db2.gz XVQXRFKXLABKTL-OAQYLSRUSA-N -2 3 354.410 0.017 20 0 FCADHL CS(C)(=O)=NS(=O)(=O)[N-][C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] 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ZINC000626846162 493033742 /nfs/dbraw/zinc/03/37/42/493033742.db2.gz NYHKCKHELORBQX-JTQLQIEISA-N -2 3 367.387 0.562 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000653317722 493093935 /nfs/dbraw/zinc/09/39/35/493093935.db2.gz FYAUDGGOOWFWRV-PRHODGIISA-N -2 3 372.381 0.989 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)c(C)o1 ZINC000668306290 493329399 /nfs/dbraw/zinc/32/93/99/493329399.db2.gz HKYPJCRPTOWPSU-LBPRGKRZSA-N -2 3 360.388 0.106 20 0 FCADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-] ZINC000683729195 493368479 /nfs/dbraw/zinc/36/84/79/493368479.db2.gz BHNLITNZRMZWBA-MRVPVSSYSA-N -3 3 351.764 0.945 20 0 FCADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc(Br)cn2)CCOC1 ZINC000669668655 493520330 /nfs/dbraw/zinc/52/03/30/493520330.db2.gz JNOWIMJEXHTOKI-JTQLQIEISA-N -2 3 351.178 0.366 20 0 FCADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000676319097 493545050 /nfs/dbraw/zinc/54/50/50/493545050.db2.gz CLVKVBGQJBPIPB-NSHDSACASA-N -2 3 368.415 0.932 20 0 FCADHL Cc1ccc(C(=O)NCCC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c([O-])c1 ZINC000663129494 493573564 /nfs/dbraw/zinc/57/35/64/493573564.db2.gz MGEDKTGIZHJCBQ-KZULUSFZSA-N -2 3 362.382 0.380 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000679396473 493678351 /nfs/dbraw/zinc/67/83/51/493678351.db2.gz KQUXGUIHDRJFIR-JQWIXIFHSA-N -2 3 373.431 0.814 20 0 FCADHL CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443187240 535857909 /nfs/dbraw/zinc/85/79/09/535857909.db2.gz ASEQPQUESPETGX-LBPRGKRZSA-N -2 3 354.425 0.637 20 0 FCADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCSC1 ZINC000592144586 546611852 /nfs/dbraw/zinc/61/18/52/546611852.db2.gz BDYDXOLCDHWACX-GFCCVEGCSA-N -2 3 365.454 0.329 20 0 FCADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-] ZINC000593270966 546697736 /nfs/dbraw/zinc/69/77/36/546697736.db2.gz DTCCUQMVVBOMCR-JTQLQIEISA-N -2 3 363.363 0.909 20 0 FCADHL CCOC(=O)c1cn[n-]c1S(=O)(=O)N(CCSC)CC(=O)[O-] ZINC000594671201 546813474 /nfs/dbraw/zinc/81/34/74/546813474.db2.gz WOAXXFKCXAPVBL-UHFFFAOYSA-N -2 3 351.406 0.025 20 0 FCADHL CCOC(=O)c1c[n-]nc1S(=O)(=O)N(CCSC)CC(=O)[O-] ZINC000594671201 546813477 /nfs/dbraw/zinc/81/34/77/546813477.db2.gz WOAXXFKCXAPVBL-UHFFFAOYSA-N -2 3 351.406 0.025 20 0 FCADHL O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000278204065 546870273 /nfs/dbraw/zinc/87/02/73/546870273.db2.gz HEGIUAXFVDNFAE-UHFFFAOYSA-N -2 3 355.199 0.863 20 0 FCADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])[nH]n1 ZINC000546595478 547042720 /nfs/dbraw/zinc/04/27/20/547042720.db2.gz SZAUDMFJSOHTPK-UHFFFAOYSA-N -3 3 355.328 0.791 20 0 FCADHL O=C(CN1CC(=O)[N-]C1=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000546753060 547044686 /nfs/dbraw/zinc/04/46/86/547044686.db2.gz KTOBHUOGDXURIZ-UHFFFAOYSA-N -2 3 367.337 0.319 20 0 FCADHL O=C(C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737824425 598910135 /nfs/dbraw/zinc/91/01/35/598910135.db2.gz UXCWYCYABVXXIO-MRVPVSSYSA-N -2 3 371.806 0.752 20 0 FCADHL O=C(C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737824425 598910136 /nfs/dbraw/zinc/91/01/36/598910136.db2.gz UXCWYCYABVXXIO-MRVPVSSYSA-N -2 3 371.806 0.752 20 0 FCADHL CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737178942 598975907 /nfs/dbraw/zinc/97/59/07/598975907.db2.gz GGWWUCJKFLJKQJ-VIFPVBQESA-N -2 3 355.445 0.979 20 0 FCADHL CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737178942 598975909 /nfs/dbraw/zinc/97/59/09/598975909.db2.gz GGWWUCJKFLJKQJ-VIFPVBQESA-N -2 3 355.445 0.979 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c(=O)[nH]1 ZINC000737311756 598976708 /nfs/dbraw/zinc/97/67/08/598976708.db2.gz DEROEWDWMSXEES-UHFFFAOYSA-N -2 3 374.382 0.703 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(=O)[nH]1 ZINC000737311756 598976709 /nfs/dbraw/zinc/97/67/09/598976709.db2.gz DEROEWDWMSXEES-UHFFFAOYSA-N -2 3 374.382 0.703 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1CCOCC1 ZINC000737298983 598978327 /nfs/dbraw/zinc/97/83/27/598978327.db2.gz NPTGNVPDQHJSSH-UHFFFAOYSA-N -2 3 351.388 0.407 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1CCOCC1 ZINC000737298983 598978329 /nfs/dbraw/zinc/97/83/29/598978329.db2.gz NPTGNVPDQHJSSH-UHFFFAOYSA-N -2 3 351.388 0.407 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000737226264 599030490 /nfs/dbraw/zinc/03/04/90/599030490.db2.gz RYTCUZLYJYRPJU-UHFFFAOYSA-N -2 3 365.400 0.531 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000737226264 599030492 /nfs/dbraw/zinc/03/04/92/599030492.db2.gz RYTCUZLYJYRPJU-UHFFFAOYSA-N -2 3 365.400 0.531 20 0 FCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821635131 599233248 /nfs/dbraw/zinc/23/32/48/599233248.db2.gz NLIPRXJWEHFUQJ-UHFFFAOYSA-N -2 3 359.371 0.422 20 0 FCADHL C[C@H](CC(=O)N(C)CCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000769542811 597060032 /nfs/dbraw/zinc/06/00/32/597060032.db2.gz UZMWHATVJGKOSG-SECBINFHSA-N -2 3 363.823 0.725 20 0 FCADHL COCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736979640 598416288 /nfs/dbraw/zinc/41/62/88/598416288.db2.gz SSLLLKIAJSETJW-UHFFFAOYSA-N -2 3 359.795 0.752 20 0 FCADHL COCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736979640 598416290 /nfs/dbraw/zinc/41/62/90/598416290.db2.gz SSLLLKIAJSETJW-UHFFFAOYSA-N -2 3 359.795 0.752 20 0 FCADHL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736615426 598416595 /nfs/dbraw/zinc/41/65/95/598416595.db2.gz YAIZTJCBCRMDNU-ONGXEEELSA-N -2 3 371.806 0.750 20 0 FCADHL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736615426 598416597 /nfs/dbraw/zinc/41/65/97/598416597.db2.gz YAIZTJCBCRMDNU-ONGXEEELSA-N -2 3 371.806 0.750 20 0 FCADHL CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736379699 598416631 /nfs/dbraw/zinc/41/66/31/598416631.db2.gz CUTRUAABYVAJGV-JTQLQIEISA-N -2 3 359.795 0.750 20 0 FCADHL CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736379699 598416632 /nfs/dbraw/zinc/41/66/32/598416632.db2.gz CUTRUAABYVAJGV-JTQLQIEISA-N -2 3 359.795 0.750 20 0 FCADHL O=C(COCC1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737916156 598417017 /nfs/dbraw/zinc/41/70/17/598417017.db2.gz LIIZAMBHORGJNC-UHFFFAOYSA-N -2 3 371.806 0.752 20 0 FCADHL O=C(COCC1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737916156 598417018 /nfs/dbraw/zinc/41/70/18/598417018.db2.gz LIIZAMBHORGJNC-UHFFFAOYSA-N -2 3 371.806 0.752 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000738140433 598536645 /nfs/dbraw/zinc/53/66/45/598536645.db2.gz VAWLKUXMZUGFOG-GFCCVEGCSA-N -2 3 351.388 0.239 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC000738140433 598536647 /nfs/dbraw/zinc/53/66/47/598536647.db2.gz VAWLKUXMZUGFOG-GFCCVEGCSA-N -2 3 351.388 0.239 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c[nH]1 ZINC000738214404 598594238 /nfs/dbraw/zinc/59/42/38/598594238.db2.gz MFBGSQLMQRBESS-UHFFFAOYSA-N -3 3 352.307 0.833 20 0 FCADHL O=C([O-])[C@@H]1CC12CCN(C(=O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000738211899 598613083 /nfs/dbraw/zinc/61/30/83/598613083.db2.gz UOFPYIBMOTWTFB-ZDUSSCGKSA-N -2 3 357.370 0.959 20 0 FCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737797025 598762244 /nfs/dbraw/zinc/76/22/44/598762244.db2.gz PVYSQFIIBWZNGR-PLNGDYQASA-N -2 3 363.399 0.654 20 0 FCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737797025 598762246 /nfs/dbraw/zinc/76/22/46/598762246.db2.gz PVYSQFIIBWZNGR-PLNGDYQASA-N -2 3 363.399 0.654 20 0 FCADHL O=C(c1n[nH]c(=O)[n-]1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738291400 598778781 /nfs/dbraw/zinc/77/87/81/598778781.db2.gz GKVDZKXJVHVXEV-UHFFFAOYSA-N -2 3 356.346 0.374 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737490405 598799415 /nfs/dbraw/zinc/79/94/15/598799415.db2.gz UQXRCCQPZFBNNE-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737490405 598799416 /nfs/dbraw/zinc/79/94/16/598799416.db2.gz UQXRCCQPZFBNNE-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL CCCCOCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736461921 599339727 /nfs/dbraw/zinc/33/97/27/599339727.db2.gz ZXNZUZMSZCSSRV-UHFFFAOYSA-N -2 3 353.404 0.629 20 0 FCADHL CCCCOCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736461921 599339731 /nfs/dbraw/zinc/33/97/31/599339731.db2.gz ZXNZUZMSZCSSRV-UHFFFAOYSA-N -2 3 353.404 0.629 20 0 FCADHL COc1ccc(-c2nnn[n-]2)cc1CSc1n[n-]c2nc(=O)c(C)nn21 ZINC000821752864 607379504 /nfs/dbraw/zinc/37/95/04/607379504.db2.gz UBWDHMRBHZBAAH-UHFFFAOYSA-N -2 3 371.386 0.602 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1CSc1n[n-]c2nc(=O)c(C)nn21 ZINC000821752864 607379506 /nfs/dbraw/zinc/37/95/06/607379506.db2.gz UBWDHMRBHZBAAH-UHFFFAOYSA-N -2 3 371.386 0.602 20 0 FCADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CCN(C4CC4)C3)cc2)[n-]1 ZINC000739877417 599751458 /nfs/dbraw/zinc/75/14/58/599751458.db2.gz OAWSRPSMDRLPQA-CYBMUJFWSA-N -2 3 370.409 0.759 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCN2C(=O)c3ccccc3C2=O)o1 ZINC000740176615 599773777 /nfs/dbraw/zinc/77/37/77/599773777.db2.gz KPWPARGIOIPAQI-UHFFFAOYSA-N -2 3 364.335 0.552 20 0 FCADHL O=C([O-])[C@@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)Cc1ccc(O)cc1 ZINC000739296404 600179590 /nfs/dbraw/zinc/17/95/90/600179590.db2.gz DJDYLJJAPHSNNG-CQSZACIVSA-N -2 3 372.377 0.887 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2n[nH]cc2Br)o1 ZINC000718119688 600444406 /nfs/dbraw/zinc/44/44/06/600444406.db2.gz AHCVAJLIXBOWEK-UHFFFAOYSA-N -2 3 350.150 0.942 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CCS(=O)(=O)C2)c1F ZINC000321132159 600993346 /nfs/dbraw/zinc/99/33/46/600993346.db2.gz GKLSUFZSQLLXIR-ZETCQYMHSA-N -2 3 369.367 0.376 20 0 FCADHL CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000826956496 601129165 /nfs/dbraw/zinc/12/91/65/601129165.db2.gz SLDDKAKGHGKLPH-GFCCVEGCSA-N -2 3 354.384 0.340 20 0 FCADHL CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821629927 607492901 /nfs/dbraw/zinc/49/29/01/607492901.db2.gz GQQIBIDGZHUYEO-UHFFFAOYSA-N -2 3 374.373 0.195 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@](C)(C(N)=O)c2ccccc2)cc1C(=O)[O-] ZINC000833028703 601219507 /nfs/dbraw/zinc/21/95/07/601219507.db2.gz OFGBBVHQIPBHPG-HNNXBMFYSA-N -2 3 352.368 0.965 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(c3cnn(C)c3)C2=O)cc1C(=O)[O-] ZINC000833027167 601222460 /nfs/dbraw/zinc/22/24/60/601222460.db2.gz DRKPSSDQJCCDMW-LLVKDONJSA-N -2 3 368.371 0.104 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCNc2ncccn2)c1F ZINC000833294672 601233121 /nfs/dbraw/zinc/23/31/21/601233121.db2.gz UYKZKHKXWYIBNC-UHFFFAOYSA-N -2 3 358.326 0.843 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000821685483 607496243 /nfs/dbraw/zinc/49/62/43/607496243.db2.gz FKEAAEIZRVMNBN-UHFFFAOYSA-N -2 3 365.415 0.797 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000821685483 607496244 /nfs/dbraw/zinc/49/62/44/607496244.db2.gz FKEAAEIZRVMNBN-UHFFFAOYSA-N -2 3 365.415 0.797 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC(=O)Nc2cccnc2)c1F ZINC000833109967 601234176 /nfs/dbraw/zinc/23/41/76/601234176.db2.gz GINJUJDAAXMYSQ-UHFFFAOYSA-N -2 3 371.321 0.975 20 0 FCADHL COC[C@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000831623445 601701202 /nfs/dbraw/zinc/70/12/02/601701202.db2.gz DTMIQEKCIONMDR-HNNXBMFYSA-N -2 3 374.390 0.486 20 0 FCADHL CC(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313535 602141320 /nfs/dbraw/zinc/14/13/20/602141320.db2.gz QPJWBBPVCIVZHO-UHFFFAOYSA-N -2 3 355.166 0.155 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)NC2CC2)c(Br)o1 ZINC000055313561 602141374 /nfs/dbraw/zinc/14/13/74/602141374.db2.gz QYDFHISRRHURFN-UHFFFAOYSA-N -2 3 367.177 0.297 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCn2cncn2)c(Br)o1 ZINC000382043652 602149267 /nfs/dbraw/zinc/14/92/67/602149267.db2.gz VYVZGOXIDVGAFQ-UHFFFAOYSA-N -2 3 365.165 0.310 20 0 FCADHL C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827422056 602330095 /nfs/dbraw/zinc/33/00/95/602330095.db2.gz JJFGKEXUVRWALT-SSDOTTSWSA-N -2 3 371.383 0.765 20 0 FCADHL O=S(=O)([N-][C@H]1CCCC[C@@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488373 607624253 /nfs/dbraw/zinc/62/42/53/607624253.db2.gz OHAQSPVFCBIBQK-QWRGUYRKSA-N -2 3 359.358 0.727 20 0 FCADHL CC(C)C[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824237913 607628851 /nfs/dbraw/zinc/62/88/51/607628851.db2.gz WQUXPYOLXVJVTJ-VIFPVBQESA-N -2 3 361.374 0.830 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000826163788 607661220 /nfs/dbraw/zinc/66/12/20/607661220.db2.gz LOGKNDFMPQJTAJ-UHFFFAOYSA-N -2 3 367.366 0.650 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000826163788 607661222 /nfs/dbraw/zinc/66/12/22/607661222.db2.gz LOGKNDFMPQJTAJ-UHFFFAOYSA-N -2 3 367.366 0.650 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnc(N(C)C)nc1 ZINC000826256177 607683120 /nfs/dbraw/zinc/68/31/20/607683120.db2.gz XLMWGYSAESVNBV-UHFFFAOYSA-N -2 3 360.403 0.832 20 0 FCADHL COCCCS(=O)(=O)[N-]Cc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000831705263 604404906 /nfs/dbraw/zinc/40/49/06/604404906.db2.gz HNCDIDUERRCHFW-UHFFFAOYSA-N -2 3 355.372 0.891 20 0 FCADHL CN(C(=O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CCCCC1 ZINC000833685982 605043606 /nfs/dbraw/zinc/04/36/06/605043606.db2.gz ONFDYUZNZRLCII-UHFFFAOYSA-N -2 3 361.445 0.911 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000822649974 606243695 /nfs/dbraw/zinc/24/36/95/606243695.db2.gz OBVMTQFVDDCJNF-UHFFFAOYSA-N -2 3 352.314 0.801 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000822649974 606243697 /nfs/dbraw/zinc/24/36/97/606243697.db2.gz OBVMTQFVDDCJNF-UHFFFAOYSA-N -2 3 352.314 0.801 20 0 FCADHL CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821588247 606392443 /nfs/dbraw/zinc/39/24/43/606392443.db2.gz ISQJFFWPPMVAJM-UHFFFAOYSA-N -2 3 360.403 0.519 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c(C)c1 ZINC000822266434 606406100 /nfs/dbraw/zinc/40/61/00/606406100.db2.gz ACFOMCHHMCAEGE-UHFFFAOYSA-N -2 3 360.399 0.941 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c(C)c1 ZINC000822266434 606406101 /nfs/dbraw/zinc/40/61/01/606406101.db2.gz ACFOMCHHMCAEGE-UHFFFAOYSA-N -2 3 360.399 0.941 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000822645607 606406248 /nfs/dbraw/zinc/40/62/48/606406248.db2.gz GXRFJFUGGHBGHW-UHFFFAOYSA-N -2 3 368.325 0.602 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000822645607 606406250 /nfs/dbraw/zinc/40/62/50/606406250.db2.gz GXRFJFUGGHBGHW-UHFFFAOYSA-N -2 3 368.325 0.602 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC000820674285 606920677 /nfs/dbraw/zinc/92/06/77/606920677.db2.gz CKCWUABMDHXHLW-CABZTGNLSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC000820674285 606920679 /nfs/dbraw/zinc/92/06/79/606920679.db2.gz CKCWUABMDHXHLW-CABZTGNLSA-N -2 3 351.388 0.380 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)oc1C ZINC000821668032 607026019 /nfs/dbraw/zinc/02/60/19/607026019.db2.gz LXPFUIWIUMMRTE-UHFFFAOYSA-N -2 3 370.372 0.812 20 0 FCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820215063 607077967 /nfs/dbraw/zinc/07/79/67/607077967.db2.gz RMERDCCOODLCAA-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820215063 607077969 /nfs/dbraw/zinc/07/79/69/607077969.db2.gz RMERDCCOODLCAA-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)[N-]OCC(F)(F)F ZINC000821756202 607096772 /nfs/dbraw/zinc/09/67/72/607096772.db2.gz MHUOWJVAOWQQCE-UHFFFAOYSA-N -2 3 360.252 0.424 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]OCC(F)(F)F ZINC000821756202 607096775 /nfs/dbraw/zinc/09/67/75/607096775.db2.gz MHUOWJVAOWQQCE-UHFFFAOYSA-N -2 3 360.252 0.424 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000821700633 607107209 /nfs/dbraw/zinc/10/72/09/607107209.db2.gz TZCLZKHXPUQACR-CYBMUJFWSA-N -2 3 363.374 0.870 20 0 FCADHL C[C@@H](CO)CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824433715 607972504 /nfs/dbraw/zinc/97/25/04/607972504.db2.gz HFBQSFWISMJOLI-MRVPVSSYSA-N -2 3 361.374 0.832 20 0 FCADHL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1C(F)F ZINC000826366407 607983207 /nfs/dbraw/zinc/98/32/07/607983207.db2.gz GRISCSMTTDOFOQ-UHFFFAOYSA-N -2 3 356.318 0.734 20 0 FCADHL CN(CCCC(=O)[O-])S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825918955 608010196 /nfs/dbraw/zinc/01/01/96/608010196.db2.gz QOIOLCSTFWMVSI-UHFFFAOYSA-N -2 3 361.330 0.630 20 0 FCADHL CN(CCCC(=O)[O-])S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825918955 608010197 /nfs/dbraw/zinc/01/01/97/608010197.db2.gz QOIOLCSTFWMVSI-UHFFFAOYSA-N -2 3 361.330 0.630 20 0 FCADHL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824152597 608011112 /nfs/dbraw/zinc/01/11/12/608011112.db2.gz JPQSIFZPIAYKMF-UHFFFAOYSA-N -2 3 357.367 0.928 20 0 FCADHL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824152597 608011113 /nfs/dbraw/zinc/01/11/13/608011113.db2.gz JPQSIFZPIAYKMF-UHFFFAOYSA-N -2 3 357.367 0.928 20 0 FCADHL CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824237746 608011244 /nfs/dbraw/zinc/01/12/44/608011244.db2.gz VPXILKWFNPDCRF-LLVKDONJSA-N -2 3 357.367 0.783 20 0 FCADHL CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824237746 608011245 /nfs/dbraw/zinc/01/12/45/608011245.db2.gz VPXILKWFNPDCRF-LLVKDONJSA-N -2 3 357.367 0.783 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826461245 608011389 /nfs/dbraw/zinc/01/13/89/608011389.db2.gz MOXCOBNKNIFUTF-LLVKDONJSA-N -2 3 365.415 0.883 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826461245 608011390 /nfs/dbraw/zinc/01/13/90/608011390.db2.gz MOXCOBNKNIFUTF-LLVKDONJSA-N -2 3 365.415 0.883 20 0 FCADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825066372 608473259 /nfs/dbraw/zinc/47/32/59/608473259.db2.gz CELNFNMXTLOYMH-QMMMGPOBSA-N -2 3 357.367 0.880 20 0 FCADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825066817 608473397 /nfs/dbraw/zinc/47/33/97/608473397.db2.gz FIRXSYQPJCSPER-QMMMGPOBSA-N -2 3 357.367 0.880 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000826286601 608473841 /nfs/dbraw/zinc/47/38/41/608473841.db2.gz IYGWLSAJYGRWFR-UHFFFAOYSA-N -2 3 361.383 0.957 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000826286601 608473843 /nfs/dbraw/zinc/47/38/43/608473843.db2.gz IYGWLSAJYGRWFR-UHFFFAOYSA-N -2 3 361.383 0.957 20 0 FCADHL CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825181315 609139515 /nfs/dbraw/zinc/13/95/15/609139515.db2.gz CVHJIXXSNQIFOX-NWDGAFQWSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825181315 609139517 /nfs/dbraw/zinc/13/95/17/609139517.db2.gz CVHJIXXSNQIFOX-NWDGAFQWSA-N -2 3 365.415 0.877 20 0 FCADHL COC[C@@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)OC ZINC000826149891 609318628 /nfs/dbraw/zinc/31/86/28/609318628.db2.gz RDRGYKZZVCTORM-MRVPVSSYSA-N -2 3 363.346 0.085 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCOC1 ZINC000824783184 609352380 /nfs/dbraw/zinc/35/23/80/609352380.db2.gz DRYOVPKMGVTWSY-OAHLLOKOSA-N -2 3 365.415 0.629 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCOC1 ZINC000824783184 609352383 /nfs/dbraw/zinc/35/23/83/609352383.db2.gz DRYOVPKMGVTWSY-OAHLLOKOSA-N -2 3 365.415 0.629 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCCOC1 ZINC000824783342 609352802 /nfs/dbraw/zinc/35/28/02/609352802.db2.gz FTEHTOMGSNWOFM-HNNXBMFYSA-N -2 3 365.415 0.629 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCCOC1 ZINC000824783342 609352803 /nfs/dbraw/zinc/35/28/03/609352803.db2.gz FTEHTOMGSNWOFM-HNNXBMFYSA-N -2 3 365.415 0.629 20 0 FCADHL COC(=O)COc1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)cc1 ZINC000055586808 666543836 /nfs/dbraw/zinc/54/38/36/666543836.db2.gz RLCIXTXVPDETDT-UHFFFAOYSA-N -2 3 356.400 0.738 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737822450 666880708 /nfs/dbraw/zinc/88/07/08/666880708.db2.gz YVIYQLLHUYOXSH-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737822450 666880712 /nfs/dbraw/zinc/88/07/12/666880712.db2.gz YVIYQLLHUYOXSH-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL CNS(=O)(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)cc1 ZINC000029048576 667169170 /nfs/dbraw/zinc/16/91/70/667169170.db2.gz XLGKCMCKOQFVKV-UHFFFAOYSA-N -2 3 361.445 0.094 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)cc1C(N)=O ZINC000032082030 667175361 /nfs/dbraw/zinc/17/53/61/667175361.db2.gz RIQKEEWYPCHUTM-UHFFFAOYSA-N -2 3 351.359 0.856 20 0 FCADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)cc1C(N)=O ZINC000032082028 667175592 /nfs/dbraw/zinc/17/55/92/667175592.db2.gz YIPJURDDSPIUPX-UHFFFAOYSA-N -2 3 367.358 0.557 20 0 FCADHL Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)[N-]OCC(N)=O)cs2)c1 ZINC000760929433 667869074 /nfs/dbraw/zinc/86/90/74/667869074.db2.gz IERFXTRUGHTFKD-UHFFFAOYSA-N -2 3 364.383 0.485 20 0 FCADHL CN(C)c1nccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000761318935 667886991 /nfs/dbraw/zinc/88/69/91/667886991.db2.gz LSMNXLFIBIAPCK-UHFFFAOYSA-N -2 3 372.353 0.998 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])ccc1F ZINC000769749370 668151642 /nfs/dbraw/zinc/15/16/42/668151642.db2.gz NARODXXFUQDQTM-CQSZACIVSA-N -2 3 362.379 0.078 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1 ZINC000776441159 668262377 /nfs/dbraw/zinc/26/23/77/668262377.db2.gz FYYLCDAMIWKENA-GFCCVEGCSA-N -2 3 367.383 0.999 20 0 FCADHL C[C@@H](CCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000776590419 668275668 /nfs/dbraw/zinc/27/56/68/668275668.db2.gz SSIHWJVDHAXGQZ-QMMMGPOBSA-N -2 3 368.408 0.586 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCSCC(=O)[O-] ZINC000776614057 668278920 /nfs/dbraw/zinc/27/89/20/668278920.db2.gz FITOAJXCRQNRPV-UHFFFAOYSA-N -2 3 368.820 0.618 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)Cc2ccccc2)nc1Cl ZINC000772196613 668293298 /nfs/dbraw/zinc/29/32/98/668293298.db2.gz BVVHLVQMHRFCFM-ZYHUDNBSSA-N -2 3 373.818 0.409 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)cn1 ZINC000781855756 668536474 /nfs/dbraw/zinc/53/64/74/668536474.db2.gz JSPBLXDDYFIFKA-UHFFFAOYSA-N -2 3 366.399 0.640 20 0 FCADHL CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)n1 ZINC000819158576 668984814 /nfs/dbraw/zinc/98/48/14/668984814.db2.gz UFNZQEFETPOZLZ-UHFFFAOYSA-N -2 3 372.378 0.687 20 0 FCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000821371062 669186950 /nfs/dbraw/zinc/18/69/50/669186950.db2.gz XMLPPCYBRVYJAU-QHCPKHFHSA-N -2 3 371.440 0.350 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)Cc1ccon1 ZINC000822928698 669306731 /nfs/dbraw/zinc/30/67/31/669306731.db2.gz KXTLMFIPTIVPKS-AATRIKPKSA-N -2 3 360.355 0.514 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)Cc1ccon1 ZINC000822928698 669306736 /nfs/dbraw/zinc/30/67/36/669306736.db2.gz KXTLMFIPTIVPKS-AATRIKPKSA-N -2 3 360.355 0.514 20 0 FCADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC000831796139 669867810 /nfs/dbraw/zinc/86/78/10/669867810.db2.gz DNMOHBOPZAGMDQ-UHFFFAOYSA-N -3 3 366.355 0.795 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000816525144 669962767 /nfs/dbraw/zinc/96/27/67/669962767.db2.gz HIDZFCUERDEOIH-UHFFFAOYSA-N -2 3 350.297 0.938 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccc1F ZINC000817873432 670045711 /nfs/dbraw/zinc/04/57/11/670045711.db2.gz LGVOKQSZNURSJQ-MWLCHTKSSA-N -2 3 358.391 0.917 20 0 FCADHL CCO[N-]C(=O)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000846497576 671117788 /nfs/dbraw/zinc/11/77/88/671117788.db2.gz UZGOHCZPVHKHAM-UHFFFAOYSA-N -2 3 361.395 0.310 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCOC[C@@H]1CCCO1 ZINC000852737812 671522097 /nfs/dbraw/zinc/52/20/97/671522097.db2.gz VPPCCLCZKFOZMF-SRVKXCTJSA-N -2 3 368.352 0.778 20 0 FCADHL CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)c2ncccc2[O-])n1 ZINC000984141552 1189526176 /nfs/dbraw/zinc/52/61/76/1189526176.db2.gz RXJYIRCZZVCUJP-ZYHUDNBSSA-N -2 3 371.397 0.875 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987368990 1191139594 /nfs/dbraw/zinc/13/95/94/1191139594.db2.gz RKZIVBXHSOETNF-SCZZXKLOSA-N -2 3 359.342 0.021 20 0 FCADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001175552858 1206305732 /nfs/dbraw/zinc/30/57/32/1206305732.db2.gz PHCDSSIHXGHOPS-LBPRGKRZSA-N -2 3 366.385 0.624 20 0 FCADHL COC(=O)[C@@H](Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12)c1cccc(F)c1 ZINC001226887249 1225857245 /nfs/dbraw/zinc/85/72/45/1225857245.db2.gz DGCZPEWGNXLSBK-JTQLQIEISA-N -2 3 362.273 0.969 20 0 FCADHL Cn1c(Cc2nnn[n-]2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001123031217 1222312562 /nfs/dbraw/zinc/31/25/62/1222312562.db2.gz NCYWIUKBMDXPGS-UHFFFAOYSA-N -2 3 368.401 0.724 20 0 FCADHL O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1[O-] ZINC000995797861 1250976935 /nfs/dbraw/zinc/97/69/35/1250976935.db2.gz HDCLMUAQDABBKR-MIMYLULJSA-N -2 3 371.353 0.164 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1ncccc1-c1nnn[n-]1 ZINC001580385891 1278205773 /nfs/dbraw/zinc/20/57/73/1278205773.db2.gz HTSHJGAUOMRRGJ-PWSUYJOCSA-N -2 3 366.385 0.760 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1ncccc1-c1nn[n-]n1 ZINC001580385891 1278205781 /nfs/dbraw/zinc/20/57/81/1278205781.db2.gz HTSHJGAUOMRRGJ-PWSUYJOCSA-N -2 3 366.385 0.760 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)NCc2ccc(-c3nnn[n-]3)cn2)cc1=O ZINC001574241632 1271114610 /nfs/dbraw/zinc/11/46/10/1271114610.db2.gz BCBNJSORLNUXLA-UHFFFAOYSA-N -2 3 356.390 0.266 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)NCc2ccc(-c3nn[n-]n3)cn2)cc1=O ZINC001574241632 1271114616 /nfs/dbraw/zinc/11/46/16/1271114616.db2.gz BCBNJSORLNUXLA-UHFFFAOYSA-N -2 3 356.390 0.266 20 0 FCADHL C[C@H](C[C@H](C)NC(=O)c1ccccc1[O-])Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574541977 1271321236 /nfs/dbraw/zinc/32/12/36/1271321236.db2.gz CRJRTXQGQLFYLN-MNOVXSKESA-N -2 3 368.401 0.793 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575354838 1271980585 /nfs/dbraw/zinc/98/05/85/1271980585.db2.gz BJXMHAVUZVZPAO-NXEZZACHSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575355418 1271984076 /nfs/dbraw/zinc/98/40/76/1271984076.db2.gz GUTZQZWPHGQSDJ-ZJUUUORDSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575355418 1271984079 /nfs/dbraw/zinc/98/40/79/1271984079.db2.gz GUTZQZWPHGQSDJ-ZJUUUORDSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575357314 1271992420 /nfs/dbraw/zinc/99/24/20/1271992420.db2.gz XQFNDEHELSKDDY-IUCAKERBSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575357314 1271992431 /nfs/dbraw/zinc/99/24/31/1271992431.db2.gz XQFNDEHELSKDDY-IUCAKERBSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccn(C)n1 ZINC001575405229 1272055529 /nfs/dbraw/zinc/05/55/29/1272055529.db2.gz LUKLRQKFBNECHD-SSDOTTSWSA-N -2 3 369.357 0.918 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001576351343 1273175351 /nfs/dbraw/zinc/17/53/51/1273175351.db2.gz LTFQVMNCJYBOHX-PWSUYJOCSA-N -2 3 366.385 0.935 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001576351343 1273175354 /nfs/dbraw/zinc/17/53/54/1273175354.db2.gz LTFQVMNCJYBOHX-PWSUYJOCSA-N -2 3 366.385 0.935 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001576353593 1273179569 /nfs/dbraw/zinc/17/95/69/1273179569.db2.gz UDRMZQMBFPPRMK-GWCFXTLKSA-N -2 3 366.385 0.935 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576353593 1273179571 /nfs/dbraw/zinc/17/95/71/1273179571.db2.gz UDRMZQMBFPPRMK-GWCFXTLKSA-N -2 3 366.385 0.935 20 0 FCADHL CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576853514 1273806244 /nfs/dbraw/zinc/80/62/44/1273806244.db2.gz ZLELBMHXKZWORV-JTQLQIEISA-N -2 3 357.378 0.619 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1cncc(-c2nnn[n-]2)n1 ZINC001576916121 1273932193 /nfs/dbraw/zinc/93/21/93/1273932193.db2.gz AILKXLCOVGQJIY-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1cncc(-c2nn[n-]n2)n1 ZINC001576916121 1273932199 /nfs/dbraw/zinc/93/21/99/1273932199.db2.gz AILKXLCOVGQJIY-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576919553 1273940998 /nfs/dbraw/zinc/94/09/98/1273940998.db2.gz UJTZQAOSOSDTPJ-SECBINFHSA-N -2 3 370.373 0.234 20 0 FCADHL CCN(CCNc1nc(C)cc(-c2nnn[n-]2)n1)C(=O)c1ncccc1[O-] ZINC001578151948 1275451247 /nfs/dbraw/zinc/45/12/47/1275451247.db2.gz LPOZHSWDSCZALK-UHFFFAOYSA-N -2 3 369.389 0.640 20 0 FCADHL CCN(CCNc1nc(C)cc(-c2nn[n-]n2)n1)C(=O)c1ncccc1[O-] ZINC001578151948 1275451253 /nfs/dbraw/zinc/45/12/53/1275451253.db2.gz LPOZHSWDSCZALK-UHFFFAOYSA-N -2 3 369.389 0.640 20 0 FCADHL CCN(c1ccc(-c2nnn[n-]2)nn1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001578190107 1275478283 /nfs/dbraw/zinc/47/82/83/1275478283.db2.gz BJVNWOLCJFWZNF-SNVBAGLBSA-N -2 3 369.389 0.402 20 0 FCADHL CCN(c1ccc(-c2nn[n-]n2)nn1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001578190107 1275478290 /nfs/dbraw/zinc/47/82/90/1275478290.db2.gz BJVNWOLCJFWZNF-SNVBAGLBSA-N -2 3 369.389 0.402 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001579266523 1277063985 /nfs/dbraw/zinc/06/39/85/1277063985.db2.gz QMXXFPBVNISFPB-UHFFFAOYSA-N -2 3 373.373 0.751 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001579266523 1277063992 /nfs/dbraw/zinc/06/39/92/1277063992.db2.gz QMXXFPBVNISFPB-UHFFFAOYSA-N -2 3 373.373 0.751 20 0 FCADHL COC(=O)CC1(NCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCC1 ZINC001579447501 1277335681 /nfs/dbraw/zinc/33/56/81/1277335681.db2.gz NNOOEOCNQQJGRK-UHFFFAOYSA-N -2 3 358.362 0.190 20 0 FCADHL COC(=O)c1c(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)nc2n1CCC2 ZINC001579479655 1277387294 /nfs/dbraw/zinc/38/72/94/1277387294.db2.gz SDBUHAXOSLBSPX-UHFFFAOYSA-N -2 3 369.341 0.754 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609241407 1289014326 /nfs/dbraw/zinc/01/43/26/1289014326.db2.gz VBVRVHWOUKPNAV-UHFFFAOYSA-N -2 3 359.795 0.616 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609241407 1289014330 /nfs/dbraw/zinc/01/43/30/1289014330.db2.gz VBVRVHWOUKPNAV-UHFFFAOYSA-N -2 3 359.795 0.616 20 0 FCADHL CCO[N-]C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC001609241778 1289014404 /nfs/dbraw/zinc/01/44/04/1289014404.db2.gz UNMPMJTUXXICDB-UHFFFAOYSA-N -2 3 370.373 0.675 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581391561 1279822595 /nfs/dbraw/zinc/82/25/95/1279822595.db2.gz UEROVPDXVLOQJO-YUMQZZPRSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581391561 1279822605 /nfs/dbraw/zinc/82/26/05/1279822605.db2.gz UEROVPDXVLOQJO-YUMQZZPRSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)c1[O-] ZINC001581391970 1279823771 /nfs/dbraw/zinc/82/37/71/1279823771.db2.gz QJVGBJLEMNDHGH-YFKPBYRVSA-N -2 3 363.407 0.599 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)c1[O-] ZINC001581391970 1279823779 /nfs/dbraw/zinc/82/37/79/1279823779.db2.gz QJVGBJLEMNDHGH-YFKPBYRVSA-N -2 3 363.407 0.599 20 0 FCADHL C[C@H](CCC(=O)[O-])NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001603464717 1287378880 /nfs/dbraw/zinc/37/88/80/1287378880.db2.gz CKYOEOWHQZUHQK-MRVPVSSYSA-N -2 3 357.367 0.679 20 0 FCADHL C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603465548 1287378957 /nfs/dbraw/zinc/37/89/57/1287378957.db2.gz DHUUURYBRHSQEN-UWVGGRQHSA-N -2 3 368.419 0.820 20 0 FCADHL C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603465548 1287378964 /nfs/dbraw/zinc/37/89/64/1287378964.db2.gz DHUUURYBRHSQEN-UWVGGRQHSA-N -2 3 368.419 0.820 20 0 FCADHL C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603465549 1287379321 /nfs/dbraw/zinc/37/93/21/1287379321.db2.gz DHUUURYBRHSQEN-VHSXEESVSA-N -2 3 368.419 0.820 20 0 FCADHL C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603465549 1287379327 /nfs/dbraw/zinc/37/93/27/1287379327.db2.gz DHUUURYBRHSQEN-VHSXEESVSA-N -2 3 368.419 0.820 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581531811 1280090629 /nfs/dbraw/zinc/09/06/29/1280090629.db2.gz IVGZKWZSACDBKT-UHFFFAOYSA-N -2 3 365.357 0.808 20 0 FCADHL C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1ncccc1[O-] ZINC001603563363 1287426394 /nfs/dbraw/zinc/42/63/94/1287426394.db2.gz UMRLTBFTTZTMGA-JTQLQIEISA-N -2 3 354.374 0.935 20 0 FCADHL C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1ncccc1[O-] ZINC001603563363 1287426400 /nfs/dbraw/zinc/42/64/00/1287426400.db2.gz UMRLTBFTTZTMGA-JTQLQIEISA-N -2 3 354.374 0.935 20 0 FCADHL CC(C)[C@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])N1CCOCC1 ZINC001603722175 1287480688 /nfs/dbraw/zinc/48/06/88/1287480688.db2.gz JOPUZKNKPMWJDP-JTQLQIEISA-N -2 3 363.461 0.476 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1(F)F ZINC001603748292 1287486081 /nfs/dbraw/zinc/48/60/81/1287486081.db2.gz LXSJIVBAWQAIBT-GFCCVEGCSA-N -2 3 357.342 0.858 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1(F)F ZINC001603748292 1287486084 /nfs/dbraw/zinc/48/60/84/1287486084.db2.gz LXSJIVBAWQAIBT-GFCCVEGCSA-N -2 3 357.342 0.858 20 0 FCADHL O=C(N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)c1ncccc1[O-] ZINC001582323939 1281342301 /nfs/dbraw/zinc/34/23/01/1281342301.db2.gz MLKYHKQBQRAOME-SNVBAGLBSA-N -2 3 370.348 0.510 20 0 FCADHL O=C(N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1ncccc1[O-] ZINC001582323939 1281342307 /nfs/dbraw/zinc/34/23/07/1281342307.db2.gz MLKYHKQBQRAOME-SNVBAGLBSA-N -2 3 370.348 0.510 20 0 FCADHL O=C(NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ncccc1[O-] ZINC001582448189 1281548450 /nfs/dbraw/zinc/54/84/50/1281548450.db2.gz DCERZJKSTDQJOS-JTQLQIEISA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ncccc1[O-] ZINC001582448189 1281548459 /nfs/dbraw/zinc/54/84/59/1281548459.db2.gz DCERZJKSTDQJOS-JTQLQIEISA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ncccc1[O-] ZINC001582463300 1281584398 /nfs/dbraw/zinc/58/43/98/1281584398.db2.gz ZNAOOOQHZRKWJL-JTQLQIEISA-N -2 3 367.373 0.014 20 0 FCADHL O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ncccc1[O-] ZINC001582463300 1281584406 /nfs/dbraw/zinc/58/44/06/1281584406.db2.gz ZNAOOOQHZRKWJL-JTQLQIEISA-N -2 3 367.373 0.014 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844697 1287516630 /nfs/dbraw/zinc/51/66/30/1287516630.db2.gz INHHWEGKMCBZIF-ONGXEEELSA-N -2 3 358.358 0.374 20 0 FCADHL O=C(NCc1nc(=O)o[n-]1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001582561287 1281746087 /nfs/dbraw/zinc/74/60/87/1281746087.db2.gz XOMLAPYLTWFMLH-UHFFFAOYSA-N -2 3 366.135 0.236 20 0 FCADHL O=C(NCc1nc(=O)o[n-]1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001582561287 1281746093 /nfs/dbraw/zinc/74/60/93/1281746093.db2.gz XOMLAPYLTWFMLH-UHFFFAOYSA-N -2 3 366.135 0.236 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])ccc1F ZINC001603904837 1287528475 /nfs/dbraw/zinc/52/84/75/1287528475.db2.gz HZOZDBZZUNCECT-QMMMGPOBSA-N -2 3 361.347 0.711 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001582751620 1281976320 /nfs/dbraw/zinc/97/63/20/1281976320.db2.gz OZOWOTRKWUPCFF-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001582751620 1281976322 /nfs/dbraw/zinc/97/63/22/1281976322.db2.gz OZOWOTRKWUPCFF-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001604096296 1287569007 /nfs/dbraw/zinc/56/90/07/1287569007.db2.gz GRKQUMZMSLLUFB-MWLCHTKSSA-N -2 3 369.378 0.880 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604095251 1287569402 /nfs/dbraw/zinc/56/94/02/1287569402.db2.gz AYSOIKWSRCIFIZ-QWHCGFSZSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cnc(Cl)cc1-c1nn[n-]n1 ZINC001588936275 1282733337 /nfs/dbraw/zinc/73/33/37/1282733337.db2.gz GGIMQKGUEBWYQX-LURJTMIESA-N -2 3 359.799 0.134 20 0 FCADHL CC(C)(CCCNS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589275766 1282826383 /nfs/dbraw/zinc/82/63/83/1282826383.db2.gz GMMATJAVIGBEFG-UHFFFAOYSA-N -2 3 354.392 0.431 20 0 FCADHL CC(C)(CCCNS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589275766 1282826389 /nfs/dbraw/zinc/82/63/89/1282826389.db2.gz GMMATJAVIGBEFG-UHFFFAOYSA-N -2 3 354.392 0.431 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001589417375 1282874128 /nfs/dbraw/zinc/87/41/28/1282874128.db2.gz AJBXLPPGQMFTAS-LLVKDONJSA-N -3 3 367.387 0.170 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001589417375 1282874139 /nfs/dbraw/zinc/87/41/39/1282874139.db2.gz AJBXLPPGQMFTAS-LLVKDONJSA-N -3 3 367.387 0.170 20 0 FCADHL CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589656336 1282932667 /nfs/dbraw/zinc/93/26/67/1282932667.db2.gz PEHPVIDIBXICIW-BXKDBHETSA-N -2 3 350.404 0.749 20 0 FCADHL CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589656336 1282932677 /nfs/dbraw/zinc/93/26/77/1282932677.db2.gz PEHPVIDIBXICIW-BXKDBHETSA-N -2 3 350.404 0.749 20 0 FCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001641493775 1282955830 /nfs/dbraw/zinc/95/58/30/1282955830.db2.gz YFIGYRDQDVHMFB-UHFFFAOYSA-N -2 3 366.324 0.933 20 0 FCADHL CCOC(=O)[C@@H](C)[C@H](C)NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001604362279 1287615675 /nfs/dbraw/zinc/61/56/75/1287615675.db2.gz RIQMRKFXYZMZGM-IUCAKERBSA-N -2 3 360.378 0.292 20 0 FCADHL C[C@@H](CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC(=O)[O-] ZINC001589829317 1283069117 /nfs/dbraw/zinc/06/91/17/1283069117.db2.gz DCBMBEKLSCWZIE-QMMMGPOBSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1)C(=O)[O-] ZINC001589857619 1283093950 /nfs/dbraw/zinc/09/39/50/1283093950.db2.gz DYPUTPHZUQRVAB-GXSJLCMTSA-N -2 3 361.362 0.145 20 0 FCADHL C[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1)C(=O)[O-] ZINC001589857619 1283093959 /nfs/dbraw/zinc/09/39/59/1283093959.db2.gz DYPUTPHZUQRVAB-GXSJLCMTSA-N -2 3 361.362 0.145 20 0 FCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589983396 1283155051 /nfs/dbraw/zinc/15/50/51/1283155051.db2.gz QGZVCLYDZKTQCD-BDAKNGLRSA-N -2 3 355.362 0.833 20 0 FCADHL C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590016845 1283176527 /nfs/dbraw/zinc/17/65/27/1283176527.db2.gz JZURYLIHZNFFCM-JTQLQIEISA-N -2 3 365.415 0.628 20 0 FCADHL C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590016845 1283176533 /nfs/dbraw/zinc/17/65/33/1283176533.db2.gz JZURYLIHZNFFCM-JTQLQIEISA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC001590024131 1283180499 /nfs/dbraw/zinc/18/04/99/1283180499.db2.gz FDGRYZOYNZQJKH-SNVBAGLBSA-N -2 3 366.403 0.091 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)CC(F)F ZINC001590031446 1283183211 /nfs/dbraw/zinc/18/32/11/1283183211.db2.gz MAPUMMUBLCNNFA-ZETCQYMHSA-N -2 3 361.330 0.345 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)CC(F)F ZINC001590031446 1283183215 /nfs/dbraw/zinc/18/32/15/1283183215.db2.gz MAPUMMUBLCNNFA-ZETCQYMHSA-N -2 3 361.330 0.345 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001590071613 1283202478 /nfs/dbraw/zinc/20/24/78/1283202478.db2.gz RKAREZSZSYHENF-CQSZACIVSA-N -2 3 369.378 0.881 20 0 FCADHL Cc1[n-]n(Cc2ccc(-c3nn[n-]n3)cc2)c(=O)c1[C@@H]1CCS(=O)(=O)C1 ZINC001590160395 1283255028 /nfs/dbraw/zinc/25/50/28/1283255028.db2.gz AGEUDCWZPVNCJR-ZIAGYGMSSA-N -2 3 374.426 0.636 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C)O1 ZINC001590184013 1283292026 /nfs/dbraw/zinc/29/20/26/1283292026.db2.gz ZJPILVJMQBBZIL-LNLATYFQSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)O1 ZINC001590184013 1283292030 /nfs/dbraw/zinc/29/20/30/1283292030.db2.gz ZJPILVJMQBBZIL-LNLATYFQSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590185744 1283293362 /nfs/dbraw/zinc/29/33/62/1283293362.db2.gz PGJVXJJYCGRTEX-JQWIXIFHSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590185744 1283293370 /nfs/dbraw/zinc/29/33/70/1283293370.db2.gz PGJVXJJYCGRTEX-JQWIXIFHSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001590186650 1283294261 /nfs/dbraw/zinc/29/42/61/1283294261.db2.gz XMSCDHUBYRXCNN-ONGXEEELSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590186650 1283294274 /nfs/dbraw/zinc/29/42/74/1283294274.db2.gz XMSCDHUBYRXCNN-ONGXEEELSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC001590190069 1283294993 /nfs/dbraw/zinc/29/49/93/1283294993.db2.gz FMRFVSAVROGXNZ-LNLATYFQSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC001590190069 1283294999 /nfs/dbraw/zinc/29/49/99/1283294999.db2.gz FMRFVSAVROGXNZ-LNLATYFQSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@@H]1C(=O)[O-] ZINC001590273006 1283400795 /nfs/dbraw/zinc/40/07/95/1283400795.db2.gz UMUYPAARUOZTEL-PELKAZGASA-N -2 3 369.378 0.631 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@@H]1C(=O)[O-] ZINC001590273006 1283400804 /nfs/dbraw/zinc/40/08/04/1283400804.db2.gz UMUYPAARUOZTEL-PELKAZGASA-N -2 3 369.378 0.631 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1CC(=O)[O-] ZINC001590275748 1283402924 /nfs/dbraw/zinc/40/29/24/1283402924.db2.gz FZPLWQKFYKFJNH-ZYHUDNBSSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1CC(=O)[O-] ZINC001590275748 1283402930 /nfs/dbraw/zinc/40/29/30/1283402930.db2.gz FZPLWQKFYKFJNH-ZYHUDNBSSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1C(=O)[O-] ZINC001590275635 1283403117 /nfs/dbraw/zinc/40/31/17/1283403117.db2.gz FFZLEBDQIMCJML-CPCISQLKSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC[C@H]1C(=O)[O-] ZINC001590312057 1283457819 /nfs/dbraw/zinc/45/78/19/1283457819.db2.gz GYBOQKSOVYNIQS-WCBMZHEXSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590326983 1283470212 /nfs/dbraw/zinc/47/02/12/1283470212.db2.gz YYVBENWZCHOAQY-SKDRFNHKSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590326983 1283470218 /nfs/dbraw/zinc/47/02/18/1283470218.db2.gz YYVBENWZCHOAQY-SKDRFNHKSA-N -2 3 351.388 0.344 20 0 FCADHL CCC(=O)[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC001590365722 1283504328 /nfs/dbraw/zinc/50/43/28/1283504328.db2.gz JWOLDVFLNRGKFJ-UHFFFAOYSA-N -2 3 360.193 0.844 20 0 FCADHL CCC(=O)[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC001590365722 1283504320 /nfs/dbraw/zinc/50/43/20/1283504320.db2.gz JWOLDVFLNRGKFJ-UHFFFAOYSA-N -2 3 360.193 0.844 20 0 FCADHL CC[C@](C)(CNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590382609 1283508620 /nfs/dbraw/zinc/50/86/20/1283508620.db2.gz SBOLJKGNGADZIV-CQSZACIVSA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@](C)(CNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001590382609 1283508630 /nfs/dbraw/zinc/50/86/30/1283508630.db2.gz SBOLJKGNGADZIV-CQSZACIVSA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001590436427 1283535412 /nfs/dbraw/zinc/53/54/12/1283535412.db2.gz RCOWWXLRJIEATP-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001590436427 1283535421 /nfs/dbraw/zinc/53/54/21/1283535421.db2.gz RCOWWXLRJIEATP-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590499752 1283568834 /nfs/dbraw/zinc/56/88/34/1283568834.db2.gz MJOWMEYAFJKAIG-RYUDHWBXSA-N -2 3 369.378 0.880 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590499752 1283568841 /nfs/dbraw/zinc/56/88/41/1283568841.db2.gz MJOWMEYAFJKAIG-RYUDHWBXSA-N -2 3 369.378 0.880 20 0 FCADHL CCC[C@@H]1CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001590572987 1283616598 /nfs/dbraw/zinc/61/65/98/1283616598.db2.gz WBCYKZWITYUQCC-SKDRFNHKSA-N -2 3 366.403 0.526 20 0 FCADHL CCC[C@@H]1CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001590572987 1283616612 /nfs/dbraw/zinc/61/66/12/1283616612.db2.gz WBCYKZWITYUQCC-SKDRFNHKSA-N -2 3 366.403 0.526 20 0 FCADHL CCCC[C@@H](NS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590582560 1283623182 /nfs/dbraw/zinc/62/31/82/1283623182.db2.gz ROVAKPYKBQLRAB-LLVKDONJSA-N -2 3 354.392 0.492 20 0 FCADHL CCCC[C@@H](NS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590582560 1283623188 /nfs/dbraw/zinc/62/31/88/1283623188.db2.gz ROVAKPYKBQLRAB-LLVKDONJSA-N -2 3 354.392 0.492 20 0 FCADHL CCN1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1=O ZINC001590732424 1283764814 /nfs/dbraw/zinc/76/48/14/1283764814.db2.gz KTCAMFJBDFREML-SNVBAGLBSA-N -2 3 372.357 0.044 20 0 FCADHL CCO[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001590783053 1283839163 /nfs/dbraw/zinc/83/91/63/1283839163.db2.gz TXUYSTOGCYEZQJ-GFCCVEGCSA-N -2 3 371.394 0.767 20 0 FCADHL CCO[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001590783053 1283839173 /nfs/dbraw/zinc/83/91/73/1283839173.db2.gz TXUYSTOGCYEZQJ-GFCCVEGCSA-N -2 3 371.394 0.767 20 0 FCADHL CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590790197 1283846300 /nfs/dbraw/zinc/84/63/00/1283846300.db2.gz JAXFTQHLSXOSKA-ZJUUUORDSA-N -2 3 367.387 0.105 20 0 FCADHL CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590790197 1283846306 /nfs/dbraw/zinc/84/63/06/1283846306.db2.gz JAXFTQHLSXOSKA-ZJUUUORDSA-N -2 3 367.387 0.105 20 0 FCADHL CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590790196 1283847325 /nfs/dbraw/zinc/84/73/25/1283847325.db2.gz JAXFTQHLSXOSKA-VHSXEESVSA-N -2 3 367.387 0.105 20 0 FCADHL CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590790196 1283847336 /nfs/dbraw/zinc/84/73/36/1283847336.db2.gz JAXFTQHLSXOSKA-VHSXEESVSA-N -2 3 367.387 0.105 20 0 FCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1c(-c2nnn[n-]2)cnn1C ZINC001590929091 1283979383 /nfs/dbraw/zinc/97/93/83/1283979383.db2.gz PEGMGHAJELHRDY-UHFFFAOYSA-N -2 3 365.423 0.259 20 0 FCADHL CCc1nnc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(-c2nnn[n-]2)c1CC ZINC001590931379 1283984529 /nfs/dbraw/zinc/98/45/29/1283984529.db2.gz RZHZWPPMFJVOTF-VIFPVBQESA-N -2 3 370.421 0.989 20 0 FCADHL CCc1nnc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(-c2nn[n-]n2)c1CC ZINC001590931379 1283984530 /nfs/dbraw/zinc/98/45/30/1283984530.db2.gz RZHZWPPMFJVOTF-VIFPVBQESA-N -2 3 370.421 0.989 20 0 FCADHL CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001591005212 1284068058 /nfs/dbraw/zinc/06/80/58/1284068058.db2.gz DFDUXHPTFRBSMA-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001591005212 1284068066 /nfs/dbraw/zinc/06/80/66/1284068066.db2.gz DFDUXHPTFRBSMA-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)C2(C)CC2)cc(-c2nnn[n-]2)c1 ZINC001591027663 1284088581 /nfs/dbraw/zinc/08/85/81/1284088581.db2.gz OCWIIYRJJOPOCR-UHFFFAOYSA-N -2 3 350.404 0.545 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)C2(C)CC2)cc(-c2nn[n-]n2)c1 ZINC001591027663 1284088590 /nfs/dbraw/zinc/08/85/90/1284088590.db2.gz OCWIIYRJJOPOCR-UHFFFAOYSA-N -2 3 350.404 0.545 20 0 FCADHL CN(CC(C)(C)C(=O)[O-])S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591042453 1284102622 /nfs/dbraw/zinc/10/26/22/1284102622.db2.gz IVPBDJFVPUTXEI-UHFFFAOYSA-N -2 3 353.404 0.739 20 0 FCADHL CN(CC(C)(C)C(=O)[O-])S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591042453 1284102625 /nfs/dbraw/zinc/10/26/25/1284102625.db2.gz IVPBDJFVPUTXEI-UHFFFAOYSA-N -2 3 353.404 0.739 20 0 FCADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)nc1 ZINC001591213273 1284344136 /nfs/dbraw/zinc/34/41/36/1284344136.db2.gz DDOPZWZTEPWCPR-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)nc1 ZINC001591213273 1284344140 /nfs/dbraw/zinc/34/41/40/1284344140.db2.gz DDOPZWZTEPWCPR-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cn1 ZINC001591296104 1284451045 /nfs/dbraw/zinc/45/10/45/1284451045.db2.gz BHIWRGTVTQWDNY-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cn1 ZINC001591296104 1284451050 /nfs/dbraw/zinc/45/10/50/1284451050.db2.gz BHIWRGTVTQWDNY-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591306742 1284458272 /nfs/dbraw/zinc/45/82/72/1284458272.db2.gz UINYFAAMFBZIAG-UHFFFAOYSA-N -2 3 360.355 0.271 20 0 FCADHL COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591306742 1284458274 /nfs/dbraw/zinc/45/82/74/1284458274.db2.gz UINYFAAMFBZIAG-UHFFFAOYSA-N -2 3 360.355 0.271 20 0 FCADHL CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591315626 1284463651 /nfs/dbraw/zinc/46/36/51/1284463651.db2.gz YGWFHUZZVBQZCR-MRXNPFEDSA-N -2 3 360.374 0.005 20 0 FCADHL CO[C@@H](C(=O)[O-])C(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591315191 1284463763 /nfs/dbraw/zinc/46/37/63/1284463763.db2.gz GIOXFPJXDFVXMZ-RKDXNWHRSA-N -2 3 359.264 0.686 20 0 FCADHL CO[C@@H](C(=O)[O-])C(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591315191 1284463769 /nfs/dbraw/zinc/46/37/69/1284463769.db2.gz GIOXFPJXDFVXMZ-RKDXNWHRSA-N -2 3 359.264 0.686 20 0 FCADHL CO[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001591320932 1284470076 /nfs/dbraw/zinc/47/00/76/1284470076.db2.gz MGBUUBAMIXOXRH-QMMMGPOBSA-N -2 3 357.367 0.377 20 0 FCADHL CO[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001591320932 1284470078 /nfs/dbraw/zinc/47/00/78/1284470078.db2.gz MGBUUBAMIXOXRH-QMMMGPOBSA-N -2 3 357.367 0.377 20 0 FCADHL COCCCS(=O)(=O)N(CC(=O)[O-])Cc1cccc(-c2nn[n-]n2)c1 ZINC001591419273 1284571089 /nfs/dbraw/zinc/57/10/89/1284571089.db2.gz RNYMESDHSYOJNE-UHFFFAOYSA-N -2 3 369.403 0.120 20 0 FCADHL CO[N-]C(=O)CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001591466619 1284636472 /nfs/dbraw/zinc/63/64/72/1284636472.db2.gz SVLCKLZDVRBDSL-UHFFFAOYSA-N -2 3 372.341 0.446 20 0 FCADHL CO[N-]C(=O)CNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001591467636 1284641954 /nfs/dbraw/zinc/64/19/54/1284641954.db2.gz TXFQTTDOQNTDDA-UHFFFAOYSA-N -2 3 363.378 0.843 20 0 FCADHL CO[N-]C(=O)CNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001591467636 1284641970 /nfs/dbraw/zinc/64/19/70/1284641970.db2.gz TXFQTTDOQNTDDA-UHFFFAOYSA-N -2 3 363.378 0.843 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC001591505891 1284692795 /nfs/dbraw/zinc/69/27/95/1284692795.db2.gz LWQHLQHDNZLHGN-UFBFGSQYSA-N -2 3 367.387 0.359 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC001591505891 1284692805 /nfs/dbraw/zinc/69/28/05/1284692805.db2.gz LWQHLQHDNZLHGN-UFBFGSQYSA-N -2 3 367.387 0.359 20 0 FCADHL CN(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ncn1 ZINC001604697034 1287736475 /nfs/dbraw/zinc/73/64/75/1287736475.db2.gz MTFQPZRRJDPEIT-UHFFFAOYSA-N -2 3 364.366 0.663 20 0 FCADHL CN(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ncn1 ZINC001604697034 1287736486 /nfs/dbraw/zinc/73/64/86/1287736486.db2.gz MTFQPZRRJDPEIT-UHFFFAOYSA-N -2 3 364.366 0.663 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1CC(=O)[O-] ZINC001591745800 1284871465 /nfs/dbraw/zinc/87/14/65/1284871465.db2.gz ICAPEVZVLTXJHW-RKDXNWHRSA-N -2 3 369.378 0.737 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC001591875525 1284964506 /nfs/dbraw/zinc/96/45/06/1284964506.db2.gz CZULKHIXNXBTOK-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC001591875525 1284964510 /nfs/dbraw/zinc/96/45/10/1284964510.db2.gz CZULKHIXNXBTOK-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)ncc1-c1nnn[n-]1 ZINC001591929705 1285015065 /nfs/dbraw/zinc/01/50/65/1285015065.db2.gz MQBREDKRDSSIKW-UHFFFAOYSA-N -2 3 350.282 0.192 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)ncc1-c1nn[n-]n1 ZINC001591929705 1285015072 /nfs/dbraw/zinc/01/50/72/1285015072.db2.gz MQBREDKRDSSIKW-UHFFFAOYSA-N -2 3 350.282 0.192 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001591989261 1285041896 /nfs/dbraw/zinc/04/18/96/1285041896.db2.gz PKCPAEZZZJAJSL-RTHLEPHNSA-N -2 3 367.362 0.409 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001591989686 1285045067 /nfs/dbraw/zinc/04/50/67/1285045067.db2.gz XSCUSZPTKGRNCP-CQSZACIVSA-N -2 3 369.378 0.800 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C[C@H]1CCCO1 ZINC001592109362 1285142843 /nfs/dbraw/zinc/14/28/43/1285142843.db2.gz HSHXSQWOBDQUNP-NNNHXZLVSA-N -2 3 363.399 0.715 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C[C@H]1CCCO1 ZINC001592109362 1285142848 /nfs/dbraw/zinc/14/28/48/1285142848.db2.gz HSHXSQWOBDQUNP-NNNHXZLVSA-N -2 3 363.399 0.715 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCOC1 ZINC001592109435 1285143242 /nfs/dbraw/zinc/14/32/42/1285143242.db2.gz LALFZKBHCAOHJT-NSHDSACASA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCOC1 ZINC001592109435 1285143252 /nfs/dbraw/zinc/14/32/52/1285143252.db2.gz LALFZKBHCAOHJT-NSHDSACASA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC001592109645 1285146765 /nfs/dbraw/zinc/14/67/65/1285146765.db2.gz VRISPWLYOHARRL-HOSYDEDBSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC001592109645 1285146774 /nfs/dbraw/zinc/14/67/74/1285146774.db2.gz VRISPWLYOHARRL-HOSYDEDBSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592136729 1285159552 /nfs/dbraw/zinc/15/95/52/1285159552.db2.gz XVOALPQIJIBQGE-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592136729 1285159554 /nfs/dbraw/zinc/15/95/54/1285159554.db2.gz XVOALPQIJIBQGE-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592189405 1285174240 /nfs/dbraw/zinc/17/42/40/1285174240.db2.gz BWSRDXYEKBRNQM-JOYOIKCWSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592189405 1285174243 /nfs/dbraw/zinc/17/42/43/1285174243.db2.gz BWSRDXYEKBRNQM-JOYOIKCWSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c1 ZINC001592191186 1285175037 /nfs/dbraw/zinc/17/50/37/1285175037.db2.gz GIOAGAYORVODBD-MNOVXSKESA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(-c2nn[n-]n2)c1 ZINC001592191186 1285175048 /nfs/dbraw/zinc/17/50/48/1285175048.db2.gz GIOAGAYORVODBD-MNOVXSKESA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC001592214271 1285184105 /nfs/dbraw/zinc/18/41/05/1285184105.db2.gz PAKDVTSOFOZNNO-SCZZXKLOSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC001592214271 1285184110 /nfs/dbraw/zinc/18/41/10/1285184110.db2.gz PAKDVTSOFOZNNO-SCZZXKLOSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001592214520 1285184695 /nfs/dbraw/zinc/18/46/95/1285184695.db2.gz RVJDVNYSXWHPOO-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001592214520 1285184701 /nfs/dbraw/zinc/18/47/01/1285184701.db2.gz RVJDVNYSXWHPOO-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1-c1nnn[n-]1 ZINC001592241665 1285198085 /nfs/dbraw/zinc/19/80/85/1285198085.db2.gz SEIGAFVDLFFVBI-JTQLQIEISA-N -2 3 367.387 0.039 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1-c1nn[n-]n1 ZINC001592241665 1285198088 /nfs/dbraw/zinc/19/80/88/1285198088.db2.gz SEIGAFVDLFFVBI-JTQLQIEISA-N -2 3 367.387 0.039 20 0 FCADHL Cc1ccccc1S(=O)(=O)[N-]c1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001592260174 1285204570 /nfs/dbraw/zinc/20/45/70/1285204570.db2.gz LMSWFTYTCCOAKU-UHFFFAOYSA-N -2 3 361.387 0.703 20 0 FCADHL CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001609249536 1289018408 /nfs/dbraw/zinc/01/84/08/1289018408.db2.gz YJVILISNKOFANZ-CABZTGNLSA-N -2 3 360.374 0.729 20 0 FCADHL CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001609249536 1289018415 /nfs/dbraw/zinc/01/84/15/1289018415.db2.gz YJVILISNKOFANZ-CABZTGNLSA-N -2 3 360.374 0.729 20 0 FCADHL Cc1cnc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)c([O-])c1 ZINC001592288402 1285217484 /nfs/dbraw/zinc/21/74/84/1285217484.db2.gz LYCZJMCNKJIVKA-UHFFFAOYSA-N -2 3 366.385 0.633 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001592377382 1285287870 /nfs/dbraw/zinc/28/78/70/1285287870.db2.gz NTKGHXSDEYLHLT-KWQFWETISA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592377382 1285287876 /nfs/dbraw/zinc/28/78/76/1285287876.db2.gz NTKGHXSDEYLHLT-KWQFWETISA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1-c1nnn[n-]1 ZINC001592377201 1285289994 /nfs/dbraw/zinc/28/99/94/1285289994.db2.gz LYKFXLRFVZFCSY-WCBMZHEXSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1-c1nn[n-]n1 ZINC001592377201 1285290003 /nfs/dbraw/zinc/29/00/03/1285290003.db2.gz LYKFXLRFVZFCSY-WCBMZHEXSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001592401701 1285309950 /nfs/dbraw/zinc/30/99/50/1285309950.db2.gz LFDCEHOOEGCNKO-UHFFFAOYSA-N -2 3 354.334 0.136 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592401701 1285309958 /nfs/dbraw/zinc/30/99/58/1285309958.db2.gz LFDCEHOOEGCNKO-UHFFFAOYSA-N -2 3 354.334 0.136 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592411607 1285326050 /nfs/dbraw/zinc/32/60/50/1285326050.db2.gz FMTVCLQHJIVKME-XCBNKYQSSA-N -2 3 370.416 0.107 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592411607 1285326054 /nfs/dbraw/zinc/32/60/54/1285326054.db2.gz FMTVCLQHJIVKME-XCBNKYQSSA-N -2 3 370.416 0.107 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2nc3ccccn3n2)cc1-c1nnn[n-]1 ZINC001592415387 1285337853 /nfs/dbraw/zinc/33/78/53/1285337853.db2.gz YAERQLYKEDCFLE-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2nc3ccccn3n2)cc1-c1nn[n-]n1 ZINC001592415387 1285337865 /nfs/dbraw/zinc/33/78/65/1285337865.db2.gz YAERQLYKEDCFLE-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1nn(Cc2noc(-c3ccccc3[O-])n2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592438194 1285368079 /nfs/dbraw/zinc/36/80/79/1285368079.db2.gz VQXRQVCGABKGNM-UHFFFAOYSA-N -2 3 366.341 0.844 20 0 FCADHL O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001592771079 1285697674 /nfs/dbraw/zinc/69/76/74/1285697674.db2.gz DMFOSKPHPGYKOB-LBPRGKRZSA-N -2 3 370.373 0.130 20 0 FCADHL O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001592771079 1285697679 /nfs/dbraw/zinc/69/76/79/1285697679.db2.gz DMFOSKPHPGYKOB-LBPRGKRZSA-N -2 3 370.373 0.130 20 0 FCADHL CCn1nccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609260298 1289025894 /nfs/dbraw/zinc/02/58/94/1289025894.db2.gz SRUNKGOTOSADBU-UHFFFAOYSA-N -2 3 361.387 0.343 20 0 FCADHL CCn1nccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609260298 1289025896 /nfs/dbraw/zinc/02/58/96/1289025896.db2.gz SRUNKGOTOSADBU-UHFFFAOYSA-N -2 3 361.387 0.343 20 0 FCADHL O=C(Cc1cccs1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592926921 1285816028 /nfs/dbraw/zinc/81/60/28/1285816028.db2.gz LPSGQOCBCGOIPL-UHFFFAOYSA-N -2 3 350.385 0.371 20 0 FCADHL O=C(Cc1cccs1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592926921 1285816035 /nfs/dbraw/zinc/81/60/35/1285816035.db2.gz LPSGQOCBCGOIPL-UHFFFAOYSA-N -2 3 350.385 0.371 20 0 FCADHL O=C([N-]C[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001593034151 1285918077 /nfs/dbraw/zinc/91/80/77/1285918077.db2.gz KZCNOGHSGFDASA-QMMMGPOBSA-N -2 3 356.312 0.552 20 0 FCADHL O=C([N-]C[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001593034151 1285918080 /nfs/dbraw/zinc/91/80/80/1285918080.db2.gz KZCNOGHSGFDASA-QMMMGPOBSA-N -2 3 356.312 0.552 20 0 FCADHL O=C(NCC=CCNc1nccnc1-c1nnn[n-]1)c1ncccc1[O-] ZINC001593055530 1285947917 /nfs/dbraw/zinc/94/79/17/1285947917.db2.gz MNSSKKKQPLZMJW-OWOJBTEDSA-N -2 3 353.346 0.155 20 0 FCADHL O=C(NCC=CCNc1nccnc1-c1nn[n-]n1)c1ncccc1[O-] ZINC001593055530 1285947927 /nfs/dbraw/zinc/94/79/27/1285947927.db2.gz MNSSKKKQPLZMJW-OWOJBTEDSA-N -2 3 353.346 0.155 20 0 FCADHL O=C(NCCNc1nc(Cl)c(-c2nnn[n-]2)s1)c1ncccc1[O-] ZINC001593093196 1285999735 /nfs/dbraw/zinc/99/97/35/1285999735.db2.gz MSSIKSLWFPIKCU-UHFFFAOYSA-N -2 3 366.794 0.919 20 0 FCADHL O=C(NCCNc1nc(Cl)c(-c2nn[n-]n2)s1)c1ncccc1[O-] ZINC001593093196 1285999739 /nfs/dbraw/zinc/99/97/39/1285999739.db2.gz MSSIKSLWFPIKCU-UHFFFAOYSA-N -2 3 366.794 0.919 20 0 FCADHL O=C([N-]O[C@@H]1CCCCO1)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593167551 1286025240 /nfs/dbraw/zinc/02/52/40/1286025240.db2.gz UCPPWMOHFLTJJE-SWLSCSKDSA-N -2 3 372.385 0.794 20 0 FCADHL O=C([N-]S(=O)(=O)[C@@H]1CCOC1)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001593169869 1286025452 /nfs/dbraw/zinc/02/54/52/1286025452.db2.gz CAVSENJANKBFRQ-GFCCVEGCSA-N -2 3 363.399 0.133 20 0 FCADHL O=C([N-]S(=O)(=O)[C@@H]1CCOC1)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001593169869 1286025456 /nfs/dbraw/zinc/02/54/56/1286025456.db2.gz CAVSENJANKBFRQ-GFCCVEGCSA-N -2 3 363.399 0.133 20 0 FCADHL O=C([N-]S(=O)(=O)[C@H]1CCOC1)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001593169870 1286025504 /nfs/dbraw/zinc/02/55/04/1286025504.db2.gz CAVSENJANKBFRQ-LBPRGKRZSA-N -2 3 363.399 0.133 20 0 FCADHL O=C([N-]S(=O)(=O)[C@H]1CCOC1)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001593169870 1286025509 /nfs/dbraw/zinc/02/55/09/1286025509.db2.gz CAVSENJANKBFRQ-LBPRGKRZSA-N -2 3 363.399 0.133 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1ncccc1[O-] ZINC001593188178 1286030733 /nfs/dbraw/zinc/03/07/33/1286030733.db2.gz UWQWLUFFNOIALQ-AOOOYVTPSA-N -2 3 370.348 0.874 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1ncccc1[O-] ZINC001593188178 1286030739 /nfs/dbraw/zinc/03/07/39/1286030739.db2.gz UWQWLUFFNOIALQ-AOOOYVTPSA-N -2 3 370.348 0.874 20 0 FCADHL O=C([N-]n1ccc(=O)[nH]c1=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001593271492 1286056222 /nfs/dbraw/zinc/05/62/22/1286056222.db2.gz DRIRJOMJLVXWHU-UHFFFAOYSA-N -2 3 366.297 0.168 20 0 FCADHL O=C([N-]n1ccc(=O)[nH]c1=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001593271492 1286056225 /nfs/dbraw/zinc/05/62/25/1286056225.db2.gz DRIRJOMJLVXWHU-UHFFFAOYSA-N -2 3 366.297 0.168 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001593275173 1286057898 /nfs/dbraw/zinc/05/78/98/1286057898.db2.gz UHTPIWSMHZLDPY-MRVPVSSYSA-N -2 3 355.351 0.491 20 0 FCADHL O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001593274575 1286058246 /nfs/dbraw/zinc/05/82/46/1286058246.db2.gz NZDYOAFDMPFTQL-YUMQZZPRSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001593274575 1286058249 /nfs/dbraw/zinc/05/82/49/1286058249.db2.gz NZDYOAFDMPFTQL-YUMQZZPRSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001593274591 1286058352 /nfs/dbraw/zinc/05/83/52/1286058352.db2.gz OQUGONFTUQCBSO-ZHAHWJHGSA-N -2 3 364.387 0.136 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001593274591 1286058358 /nfs/dbraw/zinc/05/83/58/1286058358.db2.gz OQUGONFTUQCBSO-ZHAHWJHGSA-N -2 3 364.387 0.136 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001593275971 1286059109 /nfs/dbraw/zinc/05/91/09/1286059109.db2.gz YZUIQYRMBDSNHE-GFCCVEGCSA-N -2 3 369.378 0.775 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001593275971 1286059112 /nfs/dbraw/zinc/05/91/12/1286059112.db2.gz YZUIQYRMBDSNHE-GFCCVEGCSA-N -2 3 369.378 0.775 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCCC1 ZINC001593275830 1286059236 /nfs/dbraw/zinc/05/92/36/1286059236.db2.gz XXHMBZGFKCXAIR-UHFFFAOYSA-N -2 3 369.378 0.823 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1(F)F ZINC001593275936 1286059703 /nfs/dbraw/zinc/05/97/03/1286059703.db2.gz GMOQZYIVFACBMM-JTQLQIEISA-N -2 3 373.341 0.597 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1(F)F ZINC001593275936 1286059705 /nfs/dbraw/zinc/05/97/05/1286059705.db2.gz GMOQZYIVFACBMM-JTQLQIEISA-N -2 3 373.341 0.597 20 0 FCADHL O=C([O-])CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001593277591 1286060899 /nfs/dbraw/zinc/06/08/99/1286060899.db2.gz DHIVOYLQAAWMOA-UHFFFAOYSA-N -3 3 371.350 0.207 20 0 FCADHL O=C([O-])CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001593277591 1286060900 /nfs/dbraw/zinc/06/09/00/1286060900.db2.gz DHIVOYLQAAWMOA-UHFFFAOYSA-N -3 3 371.350 0.207 20 0 FCADHL O=C([O-])CCN(C1CC1)S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001593278539 1286062124 /nfs/dbraw/zinc/06/21/24/1286062124.db2.gz LJSBNILHPNBQKO-UHFFFAOYSA-N -2 3 369.378 0.775 20 0 FCADHL O=C([O-])CCN(C1CC1)S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001593278539 1286062125 /nfs/dbraw/zinc/06/21/25/1286062125.db2.gz LJSBNILHPNBQKO-UHFFFAOYSA-N -2 3 369.378 0.775 20 0 FCADHL O=C(c1cncc([O-])c1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001593363959 1286092375 /nfs/dbraw/zinc/09/23/75/1286092375.db2.gz YDRPACHUNSMJDM-UHFFFAOYSA-N -2 3 352.358 0.325 20 0 FCADHL O=C1CCCN1CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593392049 1286112199 /nfs/dbraw/zinc/11/21/99/1286112199.db2.gz FEAYYNGVTTZNPF-UHFFFAOYSA-N -2 3 372.357 0.046 20 0 FCADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cnn2c1OCCC2 ZINC001593445185 1286158976 /nfs/dbraw/zinc/15/89/76/1286158976.db2.gz BAHNSYAGNPMSCM-UHFFFAOYSA-N -2 3 365.350 0.786 20 0 FCADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cnn2c1OCCC2 ZINC001593445185 1286158981 /nfs/dbraw/zinc/15/89/81/1286158981.db2.gz BAHNSYAGNPMSCM-UHFFFAOYSA-N -2 3 365.350 0.786 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1cncc(-c2nnn[n-]2)c1 ZINC001593445434 1286159585 /nfs/dbraw/zinc/15/95/85/1286159585.db2.gz NSMNDQIPKRZHTK-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1cncc(-c2nn[n-]n2)c1 ZINC001593445434 1286159587 /nfs/dbraw/zinc/15/95/87/1286159587.db2.gz NSMNDQIPKRZHTK-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599900361 1286417087 /nfs/dbraw/zinc/41/70/87/1286417087.db2.gz MDTWCAXUXCENRX-WDSKDSINSA-N -2 3 370.214 0.645 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NS(=O)(=O)CCCCCC(=O)[O-])C2)n1 ZINC001600064442 1286435210 /nfs/dbraw/zinc/43/52/10/1286435210.db2.gz NIVGQDWEMJOAQH-LBPRGKRZSA-N -2 3 372.447 0.634 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3ccc(C(=O)[O-])cn3)C2)n1 ZINC001600065154 1286435288 /nfs/dbraw/zinc/43/52/88/1286435288.db2.gz SGPQKPCHLYDJOK-LBPRGKRZSA-N -2 3 357.370 0.983 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)CCc3ocnc3C(=O)[O-])C2)n1 ZINC001600064243 1286435657 /nfs/dbraw/zinc/43/56/57/1286435657.db2.gz HHJBMPQHNFSEIO-JTQLQIEISA-N -2 3 361.358 0.505 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CCC(C)(C)S(C)(=O)=O)oc1C(=O)[O-] ZINC001600298697 1286472579 /nfs/dbraw/zinc/47/25/79/1286472579.db2.gz KROMXJDMAWXSPC-UHFFFAOYSA-N -2 3 353.418 0.778 20 0 FCADHL Cc1cc(S(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)oc1C(=O)[O-] ZINC001600298293 1286472696 /nfs/dbraw/zinc/47/26/96/1286472696.db2.gz ZRTYGHMHRZHCND-MRVPVSSYSA-N -2 3 351.402 0.530 20 0 FCADHL COC(=O)c1cncc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC001609306581 1289079195 /nfs/dbraw/zinc/07/91/95/1289079195.db2.gz QMGOUGJVVDQQID-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCCN(c3cnn(C)c3)C2)c1C(=O)[O-] ZINC001600672484 1286522510 /nfs/dbraw/zinc/52/25/10/1286522510.db2.gz DAPLJVFWYJNQLU-JTQLQIEISA-N -2 3 368.419 0.097 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)c1C(=O)[O-] ZINC001600673081 1286523711 /nfs/dbraw/zinc/52/37/11/1286523711.db2.gz MSQMGFKPCWEOOR-JOYOIKCWSA-N -2 3 353.356 0.189 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@H]23)c1C(=O)[O-] ZINC001600672558 1286523790 /nfs/dbraw/zinc/52/37/90/1286523790.db2.gz FZEZGWDWDGUNAG-NXEZZACHSA-N -2 3 360.461 0.274 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](Cc2ccc(F)cc2)C(=O)[O-])c1C(=O)[O-] ZINC001600673443 1286524931 /nfs/dbraw/zinc/52/49/31/1286524931.db2.gz QMIUWWNFUDKHAG-SNVBAGLBSA-N -3 3 371.346 0.530 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2(C(=O)N(C)C)CCCCC2)c1C(=O)[O-] ZINC001600673628 1286524964 /nfs/dbraw/zinc/52/49/64/1286524964.db2.gz RZDKQAJVXWIKED-UHFFFAOYSA-N -2 3 358.420 0.486 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@]2(CO)CCc3ccccc32)c1C(=O)[O-] ZINC001600673864 1286525336 /nfs/dbraw/zinc/52/53/36/1286525336.db2.gz WHKFKQCERGRUOB-MRXNPFEDSA-N -2 3 365.411 0.571 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCc2cccc3c2OCCO3)c1C(=O)[O-] ZINC001600674917 1286526283 /nfs/dbraw/zinc/52/62/83/1286526283.db2.gz XXRCWHWLMAETAP-UHFFFAOYSA-N -2 3 367.383 0.709 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CC3(CO2)CCOCC3)c1C(=O)[O-] ZINC001600674080 1286526344 /nfs/dbraw/zinc/52/63/44/1286526344.db2.gz OONHVLGRDZAOPQ-JTQLQIEISA-N -2 3 359.404 0.280 20 0 FCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-]Cc1cc(C(=O)[O-])c(C)n1C ZINC001600790475 1286545540 /nfs/dbraw/zinc/54/55/40/1286545540.db2.gz IJPYVXMLGCIHQR-UHFFFAOYSA-N -2 3 363.399 0.861 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)cc1C(=O)[O-] ZINC001600856116 1286558200 /nfs/dbraw/zinc/55/82/00/1286558200.db2.gz QIGOONCUQUATDD-UHFFFAOYSA-N -2 3 374.396 0.563 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1C(=O)[O-] ZINC001600856929 1286558552 /nfs/dbraw/zinc/55/85/52/1286558552.db2.gz BTLRPCKGWBDRIX-ONGXEEELSA-N -2 3 360.388 0.200 20 0 FCADHL O=C([O-])[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001601457974 1286755407 /nfs/dbraw/zinc/75/54/07/1286755407.db2.gz KBWBMRXTIPDZQY-LBPRGKRZSA-N -2 3 356.317 0.999 20 0 FCADHL O=C([O-])[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001601457974 1286755414 /nfs/dbraw/zinc/75/54/14/1286755414.db2.gz KBWBMRXTIPDZQY-LBPRGKRZSA-N -2 3 356.317 0.999 20 0 FCADHL O=C([O-])[C@@H](O)C1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001601681993 1286806995 /nfs/dbraw/zinc/80/69/95/1286806995.db2.gz RVSRKZQPMSOVHZ-QMMMGPOBSA-N -2 3 351.285 0.191 20 0 FCADHL O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCOC1 ZINC001601711406 1286812277 /nfs/dbraw/zinc/81/22/77/1286812277.db2.gz RHZSHXPQMJJNSO-LLVKDONJSA-N -2 3 354.306 0.870 20 0 FCADHL O=C([O-])C1=CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC001601735223 1286815955 /nfs/dbraw/zinc/81/59/55/1286815955.db2.gz TUDRSJQEVFDECE-NSHDSACASA-N -2 3 359.313 0.777 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C ZINC001609338409 1289107389 /nfs/dbraw/zinc/10/73/89/1289107389.db2.gz AJZVFCMUTPMYMI-VIFPVBQESA-N -2 3 353.404 0.972 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C ZINC001609338409 1289107393 /nfs/dbraw/zinc/10/73/93/1289107393.db2.gz AJZVFCMUTPMYMI-VIFPVBQESA-N -2 3 353.404 0.972 20 0 FCADHL O=C([O-])CC1(CS(=O)(=O)[N-]Cc2nc(-c3ccncc3)no2)CC1 ZINC001601923609 1286872631 /nfs/dbraw/zinc/87/26/31/1286872631.db2.gz GDRUOERFRXGFCV-UHFFFAOYSA-N -2 3 352.372 0.806 20 0 FCADHL O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)O1 ZINC001602035734 1286909908 /nfs/dbraw/zinc/90/99/08/1286909908.db2.gz XMXIUTXKVFDUMW-UONOGXRCSA-N -2 3 350.371 0.651 20 0 FCADHL O=C([O-])CN1CCC(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC001602061660 1286916049 /nfs/dbraw/zinc/91/60/49/1286916049.db2.gz XKXDMRSTEMEYJD-UHFFFAOYSA-N -2 3 360.363 0.351 20 0 FCADHL O=C([O-])CNC(=O)Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC001602071486 1286926439 /nfs/dbraw/zinc/92/64/39/1286926439.db2.gz WJNSZEKLNZMQLO-UHFFFAOYSA-N -2 3 353.338 0.954 20 0 FCADHL O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001602098479 1286935683 /nfs/dbraw/zinc/93/56/83/1286935683.db2.gz ZLKIAVSQBIEXEO-UHFFFAOYSA-N -2 3 365.367 0.112 20 0 FCADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CN4CCC3CC4)cc2)[n-]1 ZINC001602117147 1286939774 /nfs/dbraw/zinc/93/97/74/1286939774.db2.gz IAKRDIHVPAAHHG-MRXNPFEDSA-N -2 3 370.409 0.617 20 0 FCADHL O=C([O-])Cc1ccc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001602119384 1286941987 /nfs/dbraw/zinc/94/19/87/1286941987.db2.gz RPGMNNTYPBDHFD-AWEZNQCLSA-N -2 3 371.397 0.887 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001602506764 1287019569 /nfs/dbraw/zinc/01/95/69/1287019569.db2.gz PVVURQYOLZCROZ-PWSUYJOCSA-N -2 3 352.372 0.702 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001602508095 1287020442 /nfs/dbraw/zinc/02/04/42/1287020442.db2.gz YVTRGXCUUBSPIN-GHMZBOCLSA-N -2 3 359.404 0.096 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001602508096 1287020790 /nfs/dbraw/zinc/02/07/90/1287020790.db2.gz YVTRGXCUUBSPIN-MNOVXSKESA-N -2 3 359.404 0.096 20 0 FCADHL O=C([O-])c1cncc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC001602540692 1287022207 /nfs/dbraw/zinc/02/22/07/1287022207.db2.gz XCOROFAOSSVAIQ-UHFFFAOYSA-N -2 3 358.326 0.843 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCN2CCSC[C@H]12 ZINC001602589260 1287034453 /nfs/dbraw/zinc/03/44/53/1287034453.db2.gz XNKUSWUXBJGRLP-RKDXNWHRSA-N -2 3 363.486 0.699 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001603033336 1287194082 /nfs/dbraw/zinc/19/40/82/1287194082.db2.gz XCWFSKHMTSAGMG-ZETCQYMHSA-N -2 3 355.351 0.347 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCSCC(=O)[O-] ZINC001609417047 1289143088 /nfs/dbraw/zinc/14/30/88/1289143088.db2.gz IKBQMXNYDCNBHR-UHFFFAOYSA-N -2 3 357.417 0.271 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCSCC(=O)[O-] ZINC001609417047 1289143095 /nfs/dbraw/zinc/14/30/95/1289143095.db2.gz IKBQMXNYDCNBHR-UHFFFAOYSA-N -2 3 357.417 0.271 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001609416796 1289143719 /nfs/dbraw/zinc/14/37/19/1289143719.db2.gz LNZIUHDRQGXIOZ-JOYOIKCWSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001609416796 1289143721 /nfs/dbraw/zinc/14/37/21/1289143721.db2.gz LNZIUHDRQGXIOZ-JOYOIKCWSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)ncc1-c1nnn[n-]1 ZINC001605621656 1288039016 /nfs/dbraw/zinc/03/90/16/1288039016.db2.gz LNURROKCOUPWGI-UHFFFAOYSA-N -2 3 350.404 0.962 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)ncc1-c1nn[n-]n1 ZINC001605621656 1288039024 /nfs/dbraw/zinc/03/90/24/1288039024.db2.gz LNURROKCOUPWGI-UHFFFAOYSA-N -2 3 350.404 0.962 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC(C)(C)[C@@H]1C(=O)[O-] ZINC001605679134 1288049085 /nfs/dbraw/zinc/04/90/85/1288049085.db2.gz RIYYXKOXONYGLB-NSHDSACASA-N -2 3 369.378 0.798 20 0 FCADHL Cc1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC001609448992 1289156896 /nfs/dbraw/zinc/15/68/96/1289156896.db2.gz HRKQDGGPNFUWEE-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001609448992 1289156898 /nfs/dbraw/zinc/15/68/98/1289156898.db2.gz HRKQDGGPNFUWEE-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1cnc(C(=O)N2CC[C@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)c([O-])c1 ZINC001609439998 1289152780 /nfs/dbraw/zinc/15/27/80/1289152780.db2.gz RIKCCPVGNWCZHY-LBPRGKRZSA-N -2 3 367.369 0.964 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2cc3n(n2)CCN(C)C3)ccc1-c1nnn[n-]1 ZINC001605753525 1288074398 /nfs/dbraw/zinc/07/43/98/1288074398.db2.gz JBGBIHBQLVLJRJ-UHFFFAOYSA-N -2 3 374.430 0.618 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2cc3n(n2)CCN(C)C3)ccc1-c1nn[n-]n1 ZINC001605753525 1288074404 /nfs/dbraw/zinc/07/44/04/1288074404.db2.gz JBGBIHBQLVLJRJ-UHFFFAOYSA-N -2 3 374.430 0.618 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC001605801585 1288089107 /nfs/dbraw/zinc/08/91/07/1288089107.db2.gz NWOLBHIZXQDXGA-IUCAKERBSA-N -2 3 357.342 0.881 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC001605801585 1288089114 /nfs/dbraw/zinc/08/91/14/1288089114.db2.gz NWOLBHIZXQDXGA-IUCAKERBSA-N -2 3 357.342 0.881 20 0 FCADHL CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606261645 1288240699 /nfs/dbraw/zinc/24/06/99/1288240699.db2.gz UQXRAFCTAOGCEK-LBPRGKRZSA-N -2 3 352.368 0.613 20 0 FCADHL COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606334688 1288263581 /nfs/dbraw/zinc/26/35/81/1288263581.db2.gz ZGBVJUPTBWUVHO-KOLCDFICSA-N -2 3 361.372 0.614 20 0 FCADHL COC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001606470894 1288334521 /nfs/dbraw/zinc/33/45/21/1288334521.db2.gz MLGGBNSZSPFLQA-UHFFFAOYSA-N -2 3 370.152 0.738 20 0 FCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)N1CCCCC1 ZINC001606578572 1288391838 /nfs/dbraw/zinc/39/18/38/1288391838.db2.gz NHGQINODKWESNX-UHFFFAOYSA-N -2 3 366.403 0.092 20 0 FCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)N1CCCCC1 ZINC001606578572 1288391844 /nfs/dbraw/zinc/39/18/44/1288391844.db2.gz NHGQINODKWESNX-UHFFFAOYSA-N -2 3 366.403 0.092 20 0 FCADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001606600635 1288402614 /nfs/dbraw/zinc/40/26/14/1288402614.db2.gz PJAASZQSEDVLPU-GFCCVEGCSA-N -2 3 354.374 0.639 20 0 FCADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001606600635 1288402617 /nfs/dbraw/zinc/40/26/17/1288402617.db2.gz PJAASZQSEDVLPU-GFCCVEGCSA-N -2 3 354.374 0.639 20 0 FCADHL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606638682 1288419913 /nfs/dbraw/zinc/41/99/13/1288419913.db2.gz PZTBPHBNACPMNU-CYBMUJFWSA-N -2 3 363.341 0.605 20 0 FCADHL O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606638682 1288419916 /nfs/dbraw/zinc/41/99/16/1288419916.db2.gz PZTBPHBNACPMNU-CYBMUJFWSA-N -2 3 363.341 0.605 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])N1CCc2c1cccc2-c1nnn[n-]1 ZINC001606696730 1288451237 /nfs/dbraw/zinc/45/12/37/1288451237.db2.gz UHQBYUJPVSGWPL-UHFFFAOYSA-N -2 3 365.353 0.286 20 0 FCADHL COCC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC001606858383 1288541470 /nfs/dbraw/zinc/54/14/70/1288541470.db2.gz KKKKNEYWFFEDFZ-AWEZNQCLSA-N -2 3 374.397 0.679 20 0 FCADHL O=C([N-]S(=O)(=O)CC[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC001606863689 1288541769 /nfs/dbraw/zinc/54/17/69/1288541769.db2.gz MJQKVTFTOPTWHM-LBPRGKRZSA-N -2 3 351.388 0.495 20 0 FCADHL O=C([N-]S(=O)(=O)CC[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC001606863689 1288541774 /nfs/dbraw/zinc/54/17/74/1288541774.db2.gz MJQKVTFTOPTWHM-LBPRGKRZSA-N -2 3 351.388 0.495 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)C1 ZINC001606957355 1288574522 /nfs/dbraw/zinc/57/45/22/1288574522.db2.gz AGPMNCJSHHQVBR-SNVBAGLBSA-N -2 3 374.376 0.908 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001606957355 1288574523 /nfs/dbraw/zinc/57/45/23/1288574523.db2.gz AGPMNCJSHHQVBR-SNVBAGLBSA-N -2 3 374.376 0.908 20 0 FCADHL O=C([O-])[C@H](CC1CC1)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001606958754 1288574527 /nfs/dbraw/zinc/57/45/27/1288574527.db2.gz GCSKHXBNUQCTQC-LBPRGKRZSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001606961610 1288576551 /nfs/dbraw/zinc/57/65/51/1288576551.db2.gz WJXFPFBAOYWXOA-VIFPVBQESA-N -2 3 355.351 0.242 20 0 FCADHL O=C([O-])[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001606961306 1288576632 /nfs/dbraw/zinc/57/66/32/1288576632.db2.gz ZRJSQMLIQHQELQ-MRVPVSSYSA-N -2 3 357.417 0.707 20 0 FCADHL O=C([O-])c1ccc(CNS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001606962191 1288577801 /nfs/dbraw/zinc/57/78/01/1288577801.db2.gz JFEOQPIIIQMLAV-UHFFFAOYSA-N -2 3 360.355 0.438 20 0 FCADHL O=C([O-])c1ccc(CNS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001606962191 1288577804 /nfs/dbraw/zinc/57/78/04/1288577804.db2.gz JFEOQPIIIQMLAV-UHFFFAOYSA-N -2 3 360.355 0.438 20 0 FCADHL O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001607014998 1288591616 /nfs/dbraw/zinc/59/16/16/1288591616.db2.gz HHFDCWXTKQUFSQ-SECBINFHSA-N -2 3 355.362 0.180 20 0 FCADHL O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001607014998 1288591622 /nfs/dbraw/zinc/59/16/22/1288591622.db2.gz HHFDCWXTKQUFSQ-SECBINFHSA-N -2 3 355.362 0.180 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001607034213 1288604892 /nfs/dbraw/zinc/60/48/92/1288604892.db2.gz XLFNJIYMJDTFPC-LLVKDONJSA-N -2 3 366.385 0.937 20 0 FCADHL O=S(=O)(N=S1(=O)CCCC1)[N-]c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001607061938 1288632543 /nfs/dbraw/zinc/63/25/43/1288632543.db2.gz FWXMJBARLLFQRC-UHFFFAOYSA-N -2 3 360.396 0.924 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001607069381 1288641117 /nfs/dbraw/zinc/64/11/17/1288641117.db2.gz CTOOAPFRUFKZOY-UHFFFAOYSA-N -2 3 358.343 0.841 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CO)Cc2ccc(C)c(C)c2)c1C(=O)[O-] ZINC001607773170 1288738190 /nfs/dbraw/zinc/73/81/90/1288738190.db2.gz GZMYXDLXXKWKMU-ZDUSSCGKSA-N -2 3 367.427 0.915 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCNC(=O)c2cccs2)c1C(=O)[O-] ZINC001607938273 1288749791 /nfs/dbraw/zinc/74/97/91/1288749791.db2.gz OGZSNENSIDREDE-UHFFFAOYSA-N -2 3 358.401 0.186 20 0 FCADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001607993996 1288756457 /nfs/dbraw/zinc/75/64/57/1288756457.db2.gz HRULMXJPEUAFRM-RXMQYKEDSA-N -3 3 363.398 0.710 20 0 FCADHL NC(=O)[C@H]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccccn1 ZINC001608228894 1288794719 /nfs/dbraw/zinc/79/47/19/1288794719.db2.gz ZUFRADGTMBCDRQ-RZIFZGNASA-N -2 3 361.379 0.684 20 0 FCADHL NC(=O)N1CC[C@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001608237355 1288799177 /nfs/dbraw/zinc/79/91/77/1288799177.db2.gz WSTLEBAUYMJXRU-SSDOTTSWSA-N -2 3 363.342 0.342 20 0 FCADHL O=C([O-])c1cn([C@@H]2CCCN(C(=O)CNC(=O)c3ccc([O-])cc3)C2)nn1 ZINC001608414594 1288838907 /nfs/dbraw/zinc/83/89/07/1288838907.db2.gz JQXZBVDMMQIDSA-GFCCVEGCSA-N -2 3 373.369 0.275 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCNC(=O)c1ccc(F)cc1 ZINC001608445852 1288841457 /nfs/dbraw/zinc/84/14/57/1288841457.db2.gz MDVHUCPMXVDLSO-UHFFFAOYSA-N -2 3 373.387 0.689 20 0 FCADHL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001608716141 1288867938 /nfs/dbraw/zinc/86/79/38/1288867938.db2.gz YEQHFKZVESIGJN-ZDUSSCGKSA-N -2 3 351.359 0.199 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c(F)cc1Cl ZINC001608859602 1288876527 /nfs/dbraw/zinc/87/65/27/1288876527.db2.gz AVAPNLJNIOGIOB-GFCCVEGCSA-N -3 3 367.738 0.699 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001609084503 1288909672 /nfs/dbraw/zinc/90/96/72/1288909672.db2.gz HFUNBWLOZOGXIG-UHFFFAOYSA-N -2 3 356.308 0.940 20 0 FCADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC001609090622 1288914183 /nfs/dbraw/zinc/91/41/83/1288914183.db2.gz ZWLQRWUMJRFNRI-ZDUSSCGKSA-N -2 3 373.373 0.435 20 0 FCADHL CC(C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001609103632 1288920614 /nfs/dbraw/zinc/92/06/14/1288920614.db2.gz HOPKOVKVPLJLGM-UHFFFAOYSA-N -2 3 355.445 0.954 20 0 FCADHL CC(C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001609103632 1288920619 /nfs/dbraw/zinc/92/06/19/1288920619.db2.gz HOPKOVKVPLJLGM-UHFFFAOYSA-N -2 3 355.445 0.954 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609142533 1288945003 /nfs/dbraw/zinc/94/50/03/1288945003.db2.gz CFPOEQWFHOQISJ-SMDDNHRTSA-N -2 3 366.403 0.574 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609142533 1288945006 /nfs/dbraw/zinc/94/50/06/1288945006.db2.gz CFPOEQWFHOQISJ-SMDDNHRTSA-N -2 3 366.403 0.574 20 0 FCADHL C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609154692 1288954861 /nfs/dbraw/zinc/95/48/61/1288954861.db2.gz HNYQUBXPNFGIEK-TVQRCGJNSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609154692 1288954864 /nfs/dbraw/zinc/95/48/64/1288954864.db2.gz HNYQUBXPNFGIEK-TVQRCGJNSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609161645 1288960072 /nfs/dbraw/zinc/96/00/72/1288960072.db2.gz WVSZNDQEOMNOPA-VHSXEESVSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609161645 1288960075 /nfs/dbraw/zinc/96/00/75/1288960075.db2.gz WVSZNDQEOMNOPA-VHSXEESVSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001609168472 1288961078 /nfs/dbraw/zinc/96/10/78/1288961078.db2.gz CIGOQYYBCFQQHG-MWLCHTKSSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001609168472 1288961083 /nfs/dbraw/zinc/96/10/83/1288961083.db2.gz CIGOQYYBCFQQHG-MWLCHTKSSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C(=O)[O-] ZINC001609169438 1288962887 /nfs/dbraw/zinc/96/28/87/1288962887.db2.gz ZANWFKMMQVEGAW-ZWNOBZJWSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C(=O)[O-])C1 ZINC001609168750 1288963063 /nfs/dbraw/zinc/96/30/63/1288963063.db2.gz LLDLYFACVIXEKZ-GXFFZTMASA-N -2 3 365.415 0.882 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H](C(=O)[O-])C1 ZINC001609168750 1288963067 /nfs/dbraw/zinc/96/30/67/1288963067.db2.gz LLDLYFACVIXEKZ-GXFFZTMASA-N -2 3 365.415 0.882 20 0 FCADHL NC(=O)NCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1 ZINC001609504184 1289184591 /nfs/dbraw/zinc/18/45/91/1289184591.db2.gz LHODHHIQPHNGKF-UHFFFAOYSA-N -2 3 353.342 0.993 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)CCC(F)(F)F ZINC001609536213 1289201757 /nfs/dbraw/zinc/20/17/57/1289201757.db2.gz JGZJPWXPIWNBMP-UHFFFAOYSA-N -2 3 363.321 0.808 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)CCC(F)(F)F ZINC001609536213 1289201762 /nfs/dbraw/zinc/20/17/62/1289201762.db2.gz JGZJPWXPIWNBMP-UHFFFAOYSA-N -2 3 363.321 0.808 20 0 FCADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1sccc1-c1nn[n-]n1 ZINC001609557284 1289224132 /nfs/dbraw/zinc/22/41/32/1289224132.db2.gz GDEMHKXSZGXQAU-UHFFFAOYSA-N -2 3 361.387 0.828 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccn1)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001609560436 1289225766 /nfs/dbraw/zinc/22/57/66/1289225766.db2.gz NYNAKFMCQARMAN-UHFFFAOYSA-N -2 3 370.394 0.798 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccn1)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001609560436 1289225770 /nfs/dbraw/zinc/22/57/70/1289225770.db2.gz NYNAKFMCQARMAN-UHFFFAOYSA-N -2 3 370.394 0.798 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1coc(C2CC2)n1 ZINC001609560209 1289225942 /nfs/dbraw/zinc/22/59/42/1289225942.db2.gz AVHHMTALISHDGC-UHFFFAOYSA-N -2 3 360.355 0.851 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1coc(C2CC2)n1 ZINC001609560209 1289225948 /nfs/dbraw/zinc/22/59/48/1289225948.db2.gz AVHHMTALISHDGC-UHFFFAOYSA-N -2 3 360.355 0.851 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cc2n(n1)CCC2 ZINC001609559987 1289226121 /nfs/dbraw/zinc/22/61/21/1289226121.db2.gz OMWVQCUSRPXXES-UHFFFAOYSA-N -2 3 373.398 0.269 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc2n(n1)CCC2 ZINC001609559987 1289226128 /nfs/dbraw/zinc/22/61/28/1289226128.db2.gz OMWVQCUSRPXXES-UHFFFAOYSA-N -2 3 373.398 0.269 20 0 FCADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC001609571573 1289232101 /nfs/dbraw/zinc/23/21/01/1289232101.db2.gz NJZICYGMPNKNLN-RXMQYKEDSA-N -3 3 369.281 0.391 20 0 FCADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(F)(F)F ZINC001609571573 1289232107 /nfs/dbraw/zinc/23/21/07/1289232107.db2.gz NJZICYGMPNKNLN-RXMQYKEDSA-N -3 3 369.281 0.391 20 0 FCADHL O=C([O-])CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CCCCF ZINC001609572308 1289234645 /nfs/dbraw/zinc/23/46/45/1289234645.db2.gz PVXCAJSQGQFVAR-UHFFFAOYSA-N -2 3 371.394 0.833 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CCC(=O)CC1 ZINC001609588029 1289243061 /nfs/dbraw/zinc/24/30/61/1289243061.db2.gz QTLZYMJPSMIBFW-UHFFFAOYSA-N -2 3 363.399 0.572 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CCC(=O)CC1 ZINC001609588029 1289243068 /nfs/dbraw/zinc/24/30/68/1289243068.db2.gz QTLZYMJPSMIBFW-UHFFFAOYSA-N -2 3 363.399 0.572 20 0 FCADHL CC(=O)N[C@@H](CS(=O)(=O)Cc1nc(-c2cccs2)n[n-]1)C(=O)[O-] ZINC001609622442 1289266311 /nfs/dbraw/zinc/26/63/11/1289266311.db2.gz WYFQIVMALVWKSN-QMMMGPOBSA-N -2 3 358.401 0.037 20 0 FCADHL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCN(Cc2ccccc2)CC1 ZINC001609642459 1289271760 /nfs/dbraw/zinc/27/17/60/1289271760.db2.gz RZZCGVBHAVSCBW-LBPRGKRZSA-N -2 3 354.428 0.818 20 0 FCADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)(C(=O)[O-])C1(C)C ZINC001610027821 1289351468 /nfs/dbraw/zinc/35/14/68/1289351468.db2.gz AIOMXQXVBBNCNM-LKFCYVNXSA-N -3 3 361.372 0.915 20 0 FCADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)(C(=O)[O-])C1(C)C 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FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)cn1 ZINC000821566713 606469089 /nfs/dbraw/zinc/46/90/89/606469089.db2.gz QSFXNCLLWNCYQV-UHFFFAOYSA-N -2 3 353.389 0.263 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)cn1 ZINC000821566713 606469090 /nfs/dbraw/zinc/46/90/90/606469090.db2.gz QSFXNCLLWNCYQV-UHFFFAOYSA-N -2 3 353.389 0.263 20 0 FCADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000821936583 606529585 /nfs/dbraw/zinc/52/95/85/606529585.db2.gz BYQNMMYBJYJFPC-UHFFFAOYSA-N -2 3 372.417 0.404 20 0 FCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C1CCCC1 ZINC000823036522 606653483 /nfs/dbraw/zinc/65/34/83/606653483.db2.gz FLOZKDWNWJRENV-UHFFFAOYSA-N -2 3 351.388 0.634 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000822623215 606710980 /nfs/dbraw/zinc/71/09/80/606710980.db2.gz RQKDMMWGVLOHHE-UHFFFAOYSA-N -3 3 367.322 0.238 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCSC1 ZINC000823284395 606800569 /nfs/dbraw/zinc/80/05/69/606800569.db2.gz GLYRFYIARGSMLV-SECBINFHSA-N -2 3 353.429 0.566 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCSC1 ZINC000823284395 606800570 /nfs/dbraw/zinc/80/05/70/606800570.db2.gz GLYRFYIARGSMLV-SECBINFHSA-N -2 3 353.429 0.566 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820973508 606839247 /nfs/dbraw/zinc/83/92/47/606839247.db2.gz XSLKTLNWPIGCDZ-PWSUYJOCSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820973508 606839248 /nfs/dbraw/zinc/83/92/48/606839248.db2.gz XSLKTLNWPIGCDZ-PWSUYJOCSA-N -2 3 351.388 0.629 20 0 FCADHL Cn1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1=O ZINC000822689547 606866499 /nfs/dbraw/zinc/86/64/99/606866499.db2.gz LUAZHCIJFYORKF-UHFFFAOYSA-N -2 3 368.325 0.644 20 0 FCADHL CC(C)OC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820142131 606889891 /nfs/dbraw/zinc/88/98/91/606889891.db2.gz HDEBRLJMQCWXTQ-UHFFFAOYSA-N -2 3 361.330 0.375 20 0 FCADHL Cc1nc(C[N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)no1 ZINC000822444441 606894038 /nfs/dbraw/zinc/89/40/38/606894038.db2.gz RJVVMXOSJDUADK-UHFFFAOYSA-N -2 3 357.302 0.315 20 0 FCADHL Cc1nc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)no1 ZINC000822444441 606894040 /nfs/dbraw/zinc/89/40/40/606894040.db2.gz RJVVMXOSJDUADK-UHFFFAOYSA-N -2 3 357.302 0.315 20 0 FCADHL CSCC[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000821960661 607206570 /nfs/dbraw/zinc/20/65/70/607206570.db2.gz CIXDEAOJOQFSED-NSHDSACASA-N -2 3 371.444 0.492 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823387347 607207061 /nfs/dbraw/zinc/20/70/61/607207061.db2.gz IVIAVSTWOFVWIQ-UHFFFAOYSA-N -2 3 351.388 0.493 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825076132 607776528 /nfs/dbraw/zinc/77/65/28/607776528.db2.gz TZMGFQUUWQOHJF-SNVBAGLBSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825076132 607776529 /nfs/dbraw/zinc/77/65/29/607776529.db2.gz TZMGFQUUWQOHJF-SNVBAGLBSA-N -2 3 353.404 0.628 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)nc1 ZINC000826282399 607806370 /nfs/dbraw/zinc/80/63/70/607806370.db2.gz MYBGAPRPPJPRDA-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)nc1 ZINC000826282399 607806371 /nfs/dbraw/zinc/80/63/71/607806371.db2.gz MYBGAPRPPJPRDA-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL O=S(=O)([N-][C@H]1CC[C@H](CO)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826492551 607972278 /nfs/dbraw/zinc/97/22/78/607972278.db2.gz QPHXTEOQZDUDPS-CZMCAQCFSA-N -2 3 373.385 0.974 20 0 FCADHL O=C([O-])CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826461502 608010706 /nfs/dbraw/zinc/01/07/06/608010706.db2.gz XOYDHBBJTQJABM-UHFFFAOYSA-N -2 3 351.266 0.248 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826461020 608011392 /nfs/dbraw/zinc/01/13/92/608011392.db2.gz BZVABYMJNUZVCD-JTQLQIEISA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826461020 608011393 /nfs/dbraw/zinc/01/13/93/608011393.db2.gz BZVABYMJNUZVCD-JTQLQIEISA-N -2 3 357.779 0.758 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826249569 608076605 /nfs/dbraw/zinc/07/66/05/608076605.db2.gz JJYACTDCIZLXOP-SNVBAGLBSA-N -2 3 351.388 0.271 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826249569 608076606 /nfs/dbraw/zinc/07/66/06/608076606.db2.gz JJYACTDCIZLXOP-SNVBAGLBSA-N -2 3 351.388 0.271 20 0 FCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825075528 608144781 /nfs/dbraw/zinc/14/47/81/608144781.db2.gz PDEIGCSNGAAJMR-ZJUUUORDSA-N -2 3 353.404 0.879 20 0 FCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825075528 608144782 /nfs/dbraw/zinc/14/47/82/608144782.db2.gz PDEIGCSNGAAJMR-ZJUUUORDSA-N -2 3 353.404 0.879 20 0 FCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825075525 608144947 /nfs/dbraw/zinc/14/49/47/608144947.db2.gz PDEIGCSNGAAJMR-NXEZZACHSA-N -2 3 353.404 0.879 20 0 FCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825075525 608144948 /nfs/dbraw/zinc/14/49/48/608144948.db2.gz PDEIGCSNGAAJMR-NXEZZACHSA-N -2 3 353.404 0.879 20 0 FCADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1-c1nnn[n-]1 ZINC000826303926 608395937 /nfs/dbraw/zinc/39/59/37/608395937.db2.gz MSKJZUCGOGWZIZ-UHFFFAOYSA-N -3 3 363.359 0.408 20 0 FCADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1-c1nn[n-]n1 ZINC000826303926 608395939 /nfs/dbraw/zinc/39/59/39/608395939.db2.gz MSKJZUCGOGWZIZ-UHFFFAOYSA-N -3 3 363.359 0.408 20 0 FCADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824894356 608759731 /nfs/dbraw/zinc/75/97/31/608759731.db2.gz YSHNJXNPLQAZMP-APPZFPTMSA-N -2 3 359.358 0.991 20 0 FCADHL CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184372 609139457 /nfs/dbraw/zinc/13/94/57/609139457.db2.gz SPACBHFEXIVZLM-RYUDHWBXSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184372 609139459 /nfs/dbraw/zinc/13/94/59/609139459.db2.gz SPACBHFEXIVZLM-RYUDHWBXSA-N -2 3 365.415 0.877 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826154922 609386589 /nfs/dbraw/zinc/38/65/89/609386589.db2.gz ASPKXBXCRSIEGC-SNVBAGLBSA-N -2 3 353.404 0.734 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826154922 609386591 /nfs/dbraw/zinc/38/65/91/609386591.db2.gz ASPKXBXCRSIEGC-SNVBAGLBSA-N -2 3 353.404 0.734 20 0 FCADHL O=S(=O)([N-]c1cnn(CCO)c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492824 609529093 /nfs/dbraw/zinc/52/90/93/609529093.db2.gz GMLAVDAKOBULCG-UHFFFAOYSA-N -2 3 369.794 0.510 20 0 FCADHL O=S(=O)([N-]c1cnn(CCO)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492824 609529094 /nfs/dbraw/zinc/52/90/94/609529094.db2.gz GMLAVDAKOBULCG-UHFFFAOYSA-N -2 3 369.794 0.510 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000912558219 666458281 /nfs/dbraw/zinc/45/82/81/666458281.db2.gz MNSUHNOAXGYPGU-NSHDSACASA-N -2 3 367.383 0.479 20 0 FCADHL CN(C)C(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329591 666540450 /nfs/dbraw/zinc/54/04/50/666540450.db2.gz UZYVCPWSGIQDQY-UHFFFAOYSA-N -2 3 369.193 0.497 20 0 FCADHL COC(=O)CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)NC(C)C)cc1 ZINC000062930782 666602747 /nfs/dbraw/zinc/60/27/47/666602747.db2.gz YBOAYGASNHDKCS-UHFFFAOYSA-N -2 3 359.404 0.529 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)c(F)cc1F ZINC000761264088 667884206 /nfs/dbraw/zinc/88/42/06/667884206.db2.gz SLOYPNPKEOPLGA-UHFFFAOYSA-N -2 3 374.321 0.851 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-] ZINC000776588035 668275198 /nfs/dbraw/zinc/27/51/98/668275198.db2.gz DPTJTUIVQJCOQZ-SSDOTTSWSA-N -2 3 350.780 0.911 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000776616254 668279352 /nfs/dbraw/zinc/27/93/52/668279352.db2.gz XATURSRPMROFDQ-JGVFFNPUSA-N -2 3 360.775 0.829 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2cn(CC(C)C)cn2)c(=O)[n-]1 ZINC000782696505 668575258 /nfs/dbraw/zinc/57/52/58/668575258.db2.gz QYLSWZHZWHMQQW-UHFFFAOYSA-N -2 3 367.431 0.699 20 0 FCADHL Cn1ncc(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)n1 ZINC000785929537 668737366 /nfs/dbraw/zinc/73/73/66/668737366.db2.gz AXDANYGMPDMXJQ-UHFFFAOYSA-N -2 3 365.400 0.720 20 0 FCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OCC)c[n-]1 ZINC000789737856 668863902 /nfs/dbraw/zinc/86/39/02/668863902.db2.gz AXMFRHBAWPGKRB-UHFFFAOYSA-N -2 3 371.375 0.595 20 0 FCADHL CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000824029159 669370592 /nfs/dbraw/zinc/37/05/92/669370592.db2.gz GAJVZQLCGLJPOR-UHFFFAOYSA-N -2 3 360.355 0.516 20 0 FCADHL CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000824029159 669370599 /nfs/dbraw/zinc/37/05/99/669370599.db2.gz GAJVZQLCGLJPOR-UHFFFAOYSA-N -2 3 360.355 0.516 20 0 FCADHL CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824029195 669370732 /nfs/dbraw/zinc/37/07/32/669370732.db2.gz HGOHJZRZRFDCBI-UHFFFAOYSA-N -2 3 360.355 0.516 20 0 FCADHL CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824029195 669370738 /nfs/dbraw/zinc/37/07/38/669370738.db2.gz HGOHJZRZRFDCBI-UHFFFAOYSA-N -2 3 360.355 0.516 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824866161 669421408 /nfs/dbraw/zinc/42/14/08/669421408.db2.gz LJPIWEQGDFTSAQ-MWLCHTKSSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824866161 669421412 /nfs/dbraw/zinc/42/14/12/669421412.db2.gz LJPIWEQGDFTSAQ-MWLCHTKSSA-N -2 3 351.388 0.487 20 0 FCADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1-c1nn[n-]n1 ZINC000826299465 669490258 /nfs/dbraw/zinc/49/02/58/669490258.db2.gz GMBBZYGPMLUZND-UHFFFAOYSA-N -2 3 361.387 0.413 20 0 FCADHL O=S(=O)([N-]CCCCCCO)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490618 669496036 /nfs/dbraw/zinc/49/60/36/669496036.db2.gz BKQSCVLKABWCEV-UHFFFAOYSA-N -2 3 361.374 0.976 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(CC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000844791671 670943997 /nfs/dbraw/zinc/94/39/97/670943997.db2.gz KSAPOTQRYFPONH-SSDOTTSWSA-N -2 3 365.770 0.086 20 0 FCADHL O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844795075 670944788 /nfs/dbraw/zinc/94/47/88/670944788.db2.gz AOIGXXPKAXXHES-MRVPVSSYSA-N -3 3 354.743 0.861 20 0 FCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c1 ZINC000848677451 671289720 /nfs/dbraw/zinc/28/97/20/671289720.db2.gz FBSRDVIZEBZFBT-CQSZACIVSA-N -2 3 361.347 0.443 20 0 FCADHL Cn1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1=O ZINC000852734418 671520877 /nfs/dbraw/zinc/52/08/77/671520877.db2.gz AXRKZBUORURBCG-PWSUYJOCSA-N -2 3 361.320 0.481 20 0 FCADHL O=C(c1cc([O-])cc(Br)c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000859277855 671807675 /nfs/dbraw/zinc/80/76/75/671807675.db2.gz DGOVDMUVEBXNAK-SNVBAGLBSA-N -2 3 354.164 0.882 20 0 FCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-])c1 ZINC000863408612 672122224 /nfs/dbraw/zinc/12/22/24/672122224.db2.gz ROHHYPMNTJJOSE-LLVKDONJSA-N -2 3 361.347 0.713 20 0 FCADHL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOC1CCOCC1 ZINC000863533801 672134061 /nfs/dbraw/zinc/13/40/61/672134061.db2.gz YRPOFHVUZMFQLZ-VXGBXAGGSA-N -2 3 368.352 0.778 20 0 FCADHL O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC000874417256 672782715 /nfs/dbraw/zinc/78/27/15/672782715.db2.gz KQEZSRPMOASXFI-BBBLOLIVSA-N -2 3 351.325 0.950 20 0 FCADHL O=C([N-]c1nnco1)c1nnc2n1CCN(C(=O)c1ccccc1[S-])C2 ZINC001271312861 1190406512 /nfs/dbraw/zinc/40/65/12/1190406512.db2.gz IFJAXUGVLMWJJV-UHFFFAOYSA-N -2 3 371.382 0.858 20 0 FCADHL O=C(c1ncccc1[O-])N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]2C1 ZINC000985990183 1190858792 /nfs/dbraw/zinc/85/87/92/1190858792.db2.gz ISFOOBCMLUIHLU-NEPJUHHUSA-N -2 3 369.381 0.517 20 0 FCADHL CCOC(=O)c1c(C)cc([O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227213191 1225866406 /nfs/dbraw/zinc/86/64/06/1225866406.db2.gz SPVGRGYBQVSMRT-RNCFNFMXSA-N -3 3 370.310 0.319 20 0 FCADHL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)ncc1-c1ccccc1)[C@@H](O)C(=O)[O-] ZINC001230974971 1226093589 /nfs/dbraw/zinc/09/35/89/1226093589.db2.gz OGNIAEYNNHGROM-JOYOIKCWSA-N -3 3 362.294 0.291 20 0 FCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000830820174 1222482587 /nfs/dbraw/zinc/48/25/87/1222482587.db2.gz DEMYWVBKZIJFQA-HNNXBMFYSA-N -2 3 369.299 0.853 20 0 FCADHL COc1cc2[n-]cc(C(=O)N3CC[C@@H](c4nnn[n-]4)C3)c(=O)c2c(OC)c1 ZINC001153002347 1222966231 /nfs/dbraw/zinc/96/62/31/1222966231.db2.gz TVLUFIVNVNIXHV-SECBINFHSA-N -2 3 370.369 0.688 20 0 FCADHL COc1cc2[n-]cc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)c(=O)c2c(OC)c1 ZINC001153002347 1222966234 /nfs/dbraw/zinc/96/62/34/1222966234.db2.gz TVLUFIVNVNIXHV-SECBINFHSA-N -2 3 370.369 0.688 20 0 FCADHL C[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082776499 1257044388 /nfs/dbraw/zinc/04/43/88/1257044388.db2.gz CZTQWSSFYVBIAY-BXKDBHETSA-N -2 3 369.385 0.409 20 0 FCADHL O=C(c1cccnc1F)N1CCC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233939724 1259554603 /nfs/dbraw/zinc/55/46/03/1259554603.db2.gz NIRJDEFXXMWXMB-SECBINFHSA-N -2 3 358.333 0.864 20 0 FCADHL O=C([O-])C[C@H](O)C(=O)Oc1cc([O-])cc([O-])c1C(=O)c1cccc(O)c1 ZINC001234161185 1259557645 /nfs/dbraw/zinc/55/76/45/1259557645.db2.gz IXYODZJIHJYEPQ-LBPRGKRZSA-N -3 3 362.290 0.775 20 0 FCADHL O=C([O-])C[C@H](C(=O)Oc1nc[n-]c(=O)c1-c1ccccc1)[C@@H](O)C(=O)[O-] ZINC001234692643 1259563882 /nfs/dbraw/zinc/56/38/82/1259563882.db2.gz QIYBDUICYQGBGH-JOYOIKCWSA-N -3 3 362.294 0.291 20 0 FCADHL Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001580596965 1278550749 /nfs/dbraw/zinc/55/07/49/1278550749.db2.gz FPIBMYJIWGHWNG-QMMMGPOBSA-N -2 3 356.346 0.334 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC001580620781 1278574659 /nfs/dbraw/zinc/57/46/59/1278574659.db2.gz RMGNCJHHQYBZCK-UHFFFAOYSA-N -2 3 374.386 0.589 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575355428 1271983378 /nfs/dbraw/zinc/98/33/78/1271983378.db2.gz GXKGFOPUIYIIOB-DTWKUNHWSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575355428 1271983390 /nfs/dbraw/zinc/98/33/90/1271983390.db2.gz GXKGFOPUIYIIOB-DTWKUNHWSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001575438998 1272109908 /nfs/dbraw/zinc/10/99/08/1272109908.db2.gz RPJUWNQOPGOZOI-ZJUUUORDSA-N -2 3 354.374 0.859 20 0 FCADHL C[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CN1C(=O)c1ccccc1[O-] ZINC001576047981 1272774711 /nfs/dbraw/zinc/77/47/11/1272774711.db2.gz SLHCUSQKNQTPRW-WDEREUQCSA-N -2 3 366.385 0.499 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1ncc(-c2nnn[n-]2)cc1F ZINC001578101443 1275404997 /nfs/dbraw/zinc/40/49/97/1275404997.db2.gz BWVNSMQAYLIYFY-UHFFFAOYSA-N -2 3 372.364 0.758 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1ncc(-c2nn[n-]n2)cc1F ZINC001578101443 1275405001 /nfs/dbraw/zinc/40/50/01/1275405001.db2.gz BWVNSMQAYLIYFY-UHFFFAOYSA-N -2 3 372.364 0.758 20 0 FCADHL Cc1cc(C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)ncc1-c1nnn[n-]1 ZINC001580823628 1278997402 /nfs/dbraw/zinc/99/74/02/1278997402.db2.gz CNIVNRPQVUQJIS-SNVBAGLBSA-N -2 3 358.362 0.764 20 0 FCADHL Cc1cc(C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)ncc1-c1nn[n-]n1 ZINC001580823628 1278997406 /nfs/dbraw/zinc/99/74/06/1278997406.db2.gz CNIVNRPQVUQJIS-SNVBAGLBSA-N -2 3 358.362 0.764 20 0 FCADHL CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001578955804 1276500002 /nfs/dbraw/zinc/50/00/02/1276500002.db2.gz PGXDRHARSUXJHR-UHFFFAOYSA-N -2 3 374.386 0.577 20 0 FCADHL CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001578955804 1276500009 /nfs/dbraw/zinc/50/00/09/1276500009.db2.gz PGXDRHARSUXJHR-UHFFFAOYSA-N -2 3 374.386 0.577 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001579266680 1277063322 /nfs/dbraw/zinc/06/33/22/1277063322.db2.gz WIXKWZJJHMTFMB-UHFFFAOYSA-N -2 3 370.251 0.229 20 0 FCADHL CN(c1ccnc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001579279619 1277092859 /nfs/dbraw/zinc/09/28/59/1277092859.db2.gz GZJMVHPZOHRZSC-LLVKDONJSA-N -2 3 366.385 0.713 20 0 FCADHL COC(=O)C(F)(F)C[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001579437560 1277310240 /nfs/dbraw/zinc/31/02/40/1277310240.db2.gz RIHORDNHIOGSDV-UHFFFAOYSA-N -2 3 361.330 0.094 20 0 FCADHL CC(C)(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001603111142 1287310299 /nfs/dbraw/zinc/31/02/99/1287310299.db2.gz CFLBLEKFTHDFOD-SNVBAGLBSA-N -2 3 357.367 0.783 20 0 FCADHL C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001603140179 1287312683 /nfs/dbraw/zinc/31/26/83/1287312683.db2.gz NJZRBBUMXZNKQT-JTQLQIEISA-N -2 3 351.407 0.401 20 0 FCADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)N(C)C ZINC001603236847 1287337893 /nfs/dbraw/zinc/33/78/93/1287337893.db2.gz JEPXFENNVMSBMS-LBPRGKRZSA-N -2 3 368.419 0.193 20 0 FCADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)N(C)C ZINC001603236847 1287337895 /nfs/dbraw/zinc/33/78/95/1287337895.db2.gz JEPXFENNVMSBMS-LBPRGKRZSA-N -2 3 368.419 0.193 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581058372 1279302422 /nfs/dbraw/zinc/30/24/22/1279302422.db2.gz NUEGLBMZBPDRNF-VIFPVBQESA-N -2 3 371.405 0.562 20 0 FCADHL CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001603293755 1287348331 /nfs/dbraw/zinc/34/83/31/1287348331.db2.gz KBIYCGAPADGPFC-UHFFFAOYSA-N -2 3 370.373 0.761 20 0 FCADHL CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001603293755 1287348332 /nfs/dbraw/zinc/34/83/32/1287348332.db2.gz KBIYCGAPADGPFC-UHFFFAOYSA-N -2 3 370.373 0.761 20 0 FCADHL CC(C)(C)N1C[C@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1=O ZINC001603344218 1287358724 /nfs/dbraw/zinc/35/87/24/1287358724.db2.gz VQPKIMDNBNPDDW-QMMMGPOBSA-N -2 3 361.445 0.767 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581391311 1279821649 /nfs/dbraw/zinc/82/16/49/1279821649.db2.gz GIIQHBONECHEGX-QMMMGPOBSA-N -2 3 357.378 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)c1[O-] ZINC001581391536 1279822313 /nfs/dbraw/zinc/82/23/13/1279822313.db2.gz KNSPXQMZSBKZSC-GFCCVEGCSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)c1[O-] ZINC001581391536 1279822317 /nfs/dbraw/zinc/82/23/17/1279822317.db2.gz KNSPXQMZSBKZSC-GFCCVEGCSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](CNc2ncccc2-c2nn[n-]n2)C2CC2)c1[O-] ZINC001581391403 1279822517 /nfs/dbraw/zinc/82/25/17/1279822517.db2.gz RIZKULYSBNKKKI-LLVKDONJSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1nsc(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)c1-c1nnn[n-]1 ZINC001581685584 1280392036 /nfs/dbraw/zinc/39/20/36/1280392036.db2.gz PHFBZXBNDQNYKU-UHFFFAOYSA-N -2 3 362.419 0.959 20 0 FCADHL Cc1nsc(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)c1-c1nn[n-]n1 ZINC001581685584 1280392041 /nfs/dbraw/zinc/39/20/41/1280392041.db2.gz PHFBZXBNDQNYKU-UHFFFAOYSA-N -2 3 362.419 0.959 20 0 FCADHL Cn1cnc(S(=O)(=O)[N-]Cc2nc(-c3nnn[n-]3)cs2)c1Cl ZINC001581808826 1280548324 /nfs/dbraw/zinc/54/83/24/1280548324.db2.gz SYALHRUFRZLSOR-UHFFFAOYSA-N -2 3 360.812 0.189 20 0 FCADHL Cn1cnc(S(=O)(=O)[N-]Cc2ccc(-c3nnn[n-]3)s2)c1Cl ZINC001581808773 1280549492 /nfs/dbraw/zinc/54/94/92/1280549492.db2.gz QYPOQYWEFGRUAW-UHFFFAOYSA-N -2 3 359.824 0.794 20 0 FCADHL O=C(Cc1csc(-c2nc[nH]n2)n1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001582176947 1281151064 /nfs/dbraw/zinc/15/10/64/1281151064.db2.gz SORWWKFBGUWBPX-UHFFFAOYSA-N -2 3 369.370 0.761 20 0 FCADHL O=C(Cc1csc(-c2nc[nH]n2)n1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001582176947 1281151068 /nfs/dbraw/zinc/15/10/68/1281151068.db2.gz SORWWKFBGUWBPX-UHFFFAOYSA-N -2 3 369.370 0.761 20 0 FCADHL O=C(Cn1nnc2ccccc2c1=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001582207480 1281189133 /nfs/dbraw/zinc/18/91/33/1281189133.db2.gz RFODCCCYWZFNHO-UHFFFAOYSA-N -2 3 364.325 0.082 20 0 FCADHL O=C(Cn1nnc2ccccc2c1=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001582207480 1281189137 /nfs/dbraw/zinc/18/91/37/1281189137.db2.gz RFODCCCYWZFNHO-UHFFFAOYSA-N -2 3 364.325 0.082 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844676 1287515999 /nfs/dbraw/zinc/51/59/99/1287515999.db2.gz IDSJCRQLTXHLTE-YPMHNXCESA-N -2 3 374.401 0.998 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001603844197 1287516849 /nfs/dbraw/zinc/51/68/49/1287516849.db2.gz BOPYVGWJCJQWIE-MWLCHTKSSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001603844197 1287516852 /nfs/dbraw/zinc/51/68/52/1287516852.db2.gz BOPYVGWJCJQWIE-MWLCHTKSSA-N -2 3 351.388 0.598 20 0 FCADHL O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582543459 1281736878 /nfs/dbraw/zinc/73/68/78/1281736878.db2.gz YCAVJNCKVGJIBK-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582543459 1281736883 /nfs/dbraw/zinc/73/68/83/1281736883.db2.gz YCAVJNCKVGJIBK-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001582546511 1281738043 /nfs/dbraw/zinc/73/80/43/1281738043.db2.gz YHFDGJHEAUSCHA-GFCCVEGCSA-N -2 3 369.389 0.780 20 0 FCADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001582546511 1281738048 /nfs/dbraw/zinc/73/80/48/1281738048.db2.gz YHFDGJHEAUSCHA-GFCCVEGCSA-N -2 3 369.389 0.780 20 0 FCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001582558134 1281743643 /nfs/dbraw/zinc/74/36/43/1281743643.db2.gz IVPWDLJMQJRBIP-UHFFFAOYSA-N -2 3 365.151 0.383 20 0 FCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001582558134 1281743650 /nfs/dbraw/zinc/74/36/50/1281743650.db2.gz IVPWDLJMQJRBIP-UHFFFAOYSA-N -2 3 365.151 0.383 20 0 FCADHL O=C(c1ccccc1[O-])N1CCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001582712521 1281917834 /nfs/dbraw/zinc/91/78/34/1281917834.db2.gz OKYGHQANQBFCRU-LLVKDONJSA-N -2 3 366.385 0.501 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001582751323 1281976846 /nfs/dbraw/zinc/97/68/46/1281976846.db2.gz BFXLXLFNUPVKTC-SECBINFHSA-N -2 3 353.346 0.084 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001582751323 1281976849 /nfs/dbraw/zinc/97/68/49/1281976849.db2.gz BFXLXLFNUPVKTC-SECBINFHSA-N -2 3 353.346 0.084 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC[C@@H]1C(=O)[O-] ZINC001603939937 1287539749 /nfs/dbraw/zinc/53/97/49/1287539749.db2.gz XVQLQZSJOZJUGD-CABZTGNLSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC[C@@H]1C(=O)[O-] ZINC001603939937 1287539751 /nfs/dbraw/zinc/53/97/51/1287539751.db2.gz XVQLQZSJOZJUGD-CABZTGNLSA-N -2 3 351.388 0.598 20 0 FCADHL CCC(C)(C)[C@@H](NS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603982654 1287548338 /nfs/dbraw/zinc/54/83/38/1287548338.db2.gz GAXWOGNNTIGXQV-NSHDSACASA-N -2 3 368.419 0.738 20 0 FCADHL CCC(C)(C)[C@@H](NS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603982654 1287548341 /nfs/dbraw/zinc/54/83/41/1287548341.db2.gz GAXWOGNNTIGXQV-NSHDSACASA-N -2 3 368.419 0.738 20 0 FCADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001587854006 1282382472 /nfs/dbraw/zinc/38/24/72/1282382472.db2.gz HVDCSCYLSGNXGE-LBPRGKRZSA-N -2 3 364.280 0.180 20 0 FCADHL CCC[C@H](OC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001604146010 1287578337 /nfs/dbraw/zinc/57/83/37/1287578337.db2.gz DHVKDPAMTWZIIW-LBPRGKRZSA-N -2 3 353.404 0.628 20 0 FCADHL CCC[C@H](OC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001604146010 1287578339 /nfs/dbraw/zinc/57/83/39/1287578339.db2.gz DHVKDPAMTWZIIW-LBPRGKRZSA-N -2 3 353.404 0.628 20 0 FCADHL CC(=O)Nc1cccnc1[N-]S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001588883767 1282722915 /nfs/dbraw/zinc/72/29/15/1282722915.db2.gz RANLNFJLUIJAKS-UHFFFAOYSA-N -2 3 374.386 0.724 20 0 FCADHL CC(=O)Nc1cccnc1[N-]S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001588883767 1282722923 /nfs/dbraw/zinc/72/29/23/1282722923.db2.gz RANLNFJLUIJAKS-UHFFFAOYSA-N -2 3 374.386 0.724 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604268025 1287596764 /nfs/dbraw/zinc/59/67/64/1287596764.db2.gz HKCUFMGGAFCWJK-SNVBAGLBSA-N -2 3 353.404 0.882 20 0 FCADHL CC(C)(C)OC(=O)C1=NO[C@H](C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001589149331 1282807983 /nfs/dbraw/zinc/80/79/83/1282807983.db2.gz NSLOUCRZTORONV-LBPRGKRZSA-N -2 3 374.357 0.763 20 0 FCADHL CC(C)(C)OC(=O)C1=NO[C@H](C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001589149331 1282807989 /nfs/dbraw/zinc/80/79/89/1282807989.db2.gz NSLOUCRZTORONV-LBPRGKRZSA-N -2 3 374.357 0.763 20 0 FCADHL CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001589442768 1282883816 /nfs/dbraw/zinc/88/38/16/1282883816.db2.gz YFFVAMOYGWFPLQ-ZDUSSCGKSA-N -2 3 374.401 0.298 20 0 FCADHL CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589442768 1282883821 /nfs/dbraw/zinc/88/38/21/1282883821.db2.gz YFFVAMOYGWFPLQ-ZDUSSCGKSA-N -2 3 374.401 0.298 20 0 FCADHL CC(C)[C@H](CNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001589456368 1282886684 /nfs/dbraw/zinc/88/66/84/1282886684.db2.gz FBARCFMUSYBPPI-NSHDSACASA-N -2 3 371.394 0.782 20 0 FCADHL CC(C)[C@H](CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001589456368 1282886690 /nfs/dbraw/zinc/88/66/90/1282886690.db2.gz FBARCFMUSYBPPI-NSHDSACASA-N -2 3 371.394 0.782 20 0 FCADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001589487398 1282893505 /nfs/dbraw/zinc/89/35/05/1282893505.db2.gz BJXNXGNRCDMIST-JTQLQIEISA-N -2 3 360.334 0.043 20 0 FCADHL CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001589659697 1282933141 /nfs/dbraw/zinc/93/31/41/1282933141.db2.gz HMXNQVZHEFPTSD-NSHDSACASA-N -2 3 364.337 0.560 20 0 FCADHL CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)[O-] ZINC001589659697 1282933153 /nfs/dbraw/zinc/93/31/53/1282933153.db2.gz HMXNQVZHEFPTSD-NSHDSACASA-N -2 3 364.337 0.560 20 0 FCADHL CS(=O)(=O)c1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)ccc1Cl ZINC001641490360 1282956621 /nfs/dbraw/zinc/95/66/21/1282956621.db2.gz UPMWVIKAXIUNHZ-UHFFFAOYSA-N -2 3 357.775 0.875 20 0 FCADHL CC(C)OC[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589750215 1282978957 /nfs/dbraw/zinc/97/89/57/1282978957.db2.gz WUHHHIKGBBUTHQ-LBPRGKRZSA-N -2 3 369.403 0.164 20 0 FCADHL CC(C)OC[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589750215 1282978966 /nfs/dbraw/zinc/97/89/66/1282978966.db2.gz WUHHHIKGBBUTHQ-LBPRGKRZSA-N -2 3 369.403 0.164 20 0 FCADHL C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)C(=O)[O-] ZINC001589973972 1283150302 /nfs/dbraw/zinc/15/03/02/1283150302.db2.gz KTFRCFUPLBXYJR-JGVFFNPUSA-N -2 3 357.367 0.534 20 0 FCADHL C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)C(=O)[O-] ZINC001589973972 1283150304 /nfs/dbraw/zinc/15/03/04/1283150304.db2.gz KTFRCFUPLBXYJR-JGVFFNPUSA-N -2 3 357.367 0.534 20 0 FCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]OC(C)(C)C ZINC001589977223 1283154051 /nfs/dbraw/zinc/15/40/51/1283154051.db2.gz PAPNDLJQLDCYHE-VIFPVBQESA-N -2 3 368.419 0.380 20 0 FCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]OC(C)(C)C ZINC001589977223 1283154054 /nfs/dbraw/zinc/15/40/54/1283154054.db2.gz PAPNDLJQLDCYHE-VIFPVBQESA-N -2 3 368.419 0.380 20 0 FCADHL C[C@](O)(CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589987635 1283158822 /nfs/dbraw/zinc/15/88/22/1283158822.db2.gz BBIANNBINLOYOT-LBPRGKRZSA-N -2 3 374.279 0.843 20 0 FCADHL C[C@](O)(CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589987635 1283158823 /nfs/dbraw/zinc/15/88/23/1283158823.db2.gz BBIANNBINLOYOT-LBPRGKRZSA-N -2 3 374.279 0.843 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590071075 1283201526 /nfs/dbraw/zinc/20/15/26/1283201526.db2.gz GHTFYUWIKPNPKQ-OAHLLOKOSA-N -2 3 360.378 0.180 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590071075 1283201528 /nfs/dbraw/zinc/20/15/28/1283201528.db2.gz GHTFYUWIKPNPKQ-OAHLLOKOSA-N -2 3 360.378 0.180 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC001590071728 1283202152 /nfs/dbraw/zinc/20/21/52/1283202152.db2.gz VUIYCTALFWZJKP-KRWDZBQOSA-N -2 3 370.369 0.079 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC001590071728 1283202158 /nfs/dbraw/zinc/20/21/58/1283202158.db2.gz VUIYCTALFWZJKP-KRWDZBQOSA-N -2 3 370.369 0.079 20 0 FCADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590087450 1283210307 /nfs/dbraw/zinc/21/03/07/1283210307.db2.gz RVCXMKYJKSQRDI-QGZVFWFLSA-N -2 3 371.401 0.411 20 0 FCADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590087450 1283210316 /nfs/dbraw/zinc/21/03/16/1283210316.db2.gz RVCXMKYJKSQRDI-QGZVFWFLSA-N -2 3 371.401 0.411 20 0 FCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590143330 1283243141 /nfs/dbraw/zinc/24/31/41/1283243141.db2.gz XZGCONFJXVSLPW-GFCCVEGCSA-N -2 3 358.280 0.743 20 0 FCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590143330 1283243148 /nfs/dbraw/zinc/24/31/48/1283243148.db2.gz XZGCONFJXVSLPW-GFCCVEGCSA-N -2 3 358.280 0.743 20 0 FCADHL C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590162721 1283257133 /nfs/dbraw/zinc/25/71/33/1283257133.db2.gz DANUTPOSNXJGLI-DTWKUNHWSA-N -2 3 364.387 0.072 20 0 FCADHL C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590162721 1283257144 /nfs/dbraw/zinc/25/71/44/1283257144.db2.gz DANUTPOSNXJGLI-DTWKUNHWSA-N -2 3 364.387 0.072 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001590262230 1283385671 /nfs/dbraw/zinc/38/56/71/1283385671.db2.gz BIUKZIPSLBIXHS-IONNQARKSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001590262230 1283385678 /nfs/dbraw/zinc/38/56/78/1283385678.db2.gz BIUKZIPSLBIXHS-IONNQARKSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@H]1C(=O)[O-] ZINC001590261570 1283386442 /nfs/dbraw/zinc/38/64/42/1283386442.db2.gz OXSVHHHTWYPOMW-JOYOIKCWSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@H]1C(=O)[O-] ZINC001590261570 1283386454 /nfs/dbraw/zinc/38/64/54/1283386454.db2.gz OXSVHHHTWYPOMW-JOYOIKCWSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC001590272433 1283400571 /nfs/dbraw/zinc/40/05/71/1283400571.db2.gz PBJKEDNVJUWCJW-ZWNOBZJWSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] ZINC001590272433 1283400575 /nfs/dbraw/zinc/40/05/75/1283400575.db2.gz PBJKEDNVJUWCJW-ZWNOBZJWSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1C(=O)[O-] ZINC001590275725 1283403406 /nfs/dbraw/zinc/40/34/06/1283403406.db2.gz FRAAATAKZCGKEB-JOYOIKCWSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1C(=O)[O-] ZINC001590275725 1283403412 /nfs/dbraw/zinc/40/34/12/1283403412.db2.gz FRAAATAKZCGKEB-JOYOIKCWSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590333790 1283478862 /nfs/dbraw/zinc/47/88/62/1283478862.db2.gz HDDUMVCPLDIBGH-COMAGPEQSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590333790 1283478867 /nfs/dbraw/zinc/47/88/67/1283478867.db2.gz HDDUMVCPLDIBGH-COMAGPEQSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590335382 1283480115 /nfs/dbraw/zinc/48/01/15/1283480115.db2.gz OCGJTMPWLKBESG-COMAGPEQSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590335382 1283480123 /nfs/dbraw/zinc/48/01/23/1283480123.db2.gz OCGJTMPWLKBESG-COMAGPEQSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590336129 1283482399 /nfs/dbraw/zinc/48/23/99/1283482399.db2.gz JQZOSBKLGNDYNZ-GMSGAONNSA-N -2 3 355.401 0.403 20 0 FCADHL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590336129 1283482407 /nfs/dbraw/zinc/48/24/07/1283482407.db2.gz JQZOSBKLGNDYNZ-GMSGAONNSA-N -2 3 355.401 0.403 20 0 FCADHL CCC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590378794 1283508823 /nfs/dbraw/zinc/50/88/23/1283508823.db2.gz LDPDBBMDCVFVDS-UHFFFAOYSA-N -2 3 353.404 0.877 20 0 FCADHL CCC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590378794 1283508829 /nfs/dbraw/zinc/50/88/29/1283508829.db2.gz LDPDBBMDCVFVDS-UHFFFAOYSA-N -2 3 353.404 0.877 20 0 FCADHL CC[C@H](C)CO[N-]C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590411481 1283524004 /nfs/dbraw/zinc/52/40/04/1283524004.db2.gz ZIVJHOBJRKEWQL-JTQLQIEISA-N -2 3 368.419 0.239 20 0 FCADHL CC[C@H](C)CO[N-]C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590411481 1283524008 /nfs/dbraw/zinc/52/40/08/1283524008.db2.gz ZIVJHOBJRKEWQL-JTQLQIEISA-N -2 3 368.419 0.239 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001590489061 1283563148 /nfs/dbraw/zinc/56/31/48/1283563148.db2.gz FQXYCAHLOOVKOD-AWEZNQCLSA-N -2 3 351.388 0.742 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001590489061 1283563159 /nfs/dbraw/zinc/56/31/59/1283563159.db2.gz FQXYCAHLOOVKOD-AWEZNQCLSA-N -2 3 351.388 0.742 20 0 FCADHL CCCSCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590650689 1283703455 /nfs/dbraw/zinc/70/34/55/1283703455.db2.gz RXILNOZKQGLFDC-UHFFFAOYSA-N -2 3 355.445 0.956 20 0 FCADHL CCCSCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590650689 1283703465 /nfs/dbraw/zinc/70/34/65/1283703465.db2.gz RXILNOZKQGLFDC-UHFFFAOYSA-N -2 3 355.445 0.956 20 0 FCADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590676989 1283723507 /nfs/dbraw/zinc/72/35/07/1283723507.db2.gz PTQRHZKAQQMJDS-QMMMGPOBSA-N -2 3 357.367 0.880 20 0 FCADHL CCN(CC)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590688504 1283732088 /nfs/dbraw/zinc/73/20/88/1283732088.db2.gz PEZJUZILMDSJMP-UHFFFAOYSA-N -2 3 366.447 0.847 20 0 FCADHL CCN(CC)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590688504 1283732095 /nfs/dbraw/zinc/73/20/95/1283732095.db2.gz PEZJUZILMDSJMP-UHFFFAOYSA-N -2 3 366.447 0.847 20 0 FCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccn2)o1 ZINC001590774650 1283835173 /nfs/dbraw/zinc/83/51/73/1283835173.db2.gz LKIDHWSIABWSAL-UHFFFAOYSA-N -2 3 364.343 0.832 20 0 FCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccn2)o1 ZINC001590774650 1283835185 /nfs/dbraw/zinc/83/51/85/1283835185.db2.gz LKIDHWSIABWSAL-UHFFFAOYSA-N -2 3 364.343 0.832 20 0 FCADHL CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001590783054 1283840252 /nfs/dbraw/zinc/84/02/52/1283840252.db2.gz TXUYSTOGCYEZQJ-LBPRGKRZSA-N -2 3 371.394 0.767 20 0 FCADHL CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001590783054 1283840260 /nfs/dbraw/zinc/84/02/60/1283840260.db2.gz TXUYSTOGCYEZQJ-LBPRGKRZSA-N -2 3 371.394 0.767 20 0 FCADHL CCc1ncc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)s1 ZINC001590924750 1283974015 /nfs/dbraw/zinc/97/40/15/1283974015.db2.gz LFOUKWAZCHHZJM-UHFFFAOYSA-N -2 3 365.400 0.399 20 0 FCADHL CCc1ncc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)s1 ZINC001590924750 1283974025 /nfs/dbraw/zinc/97/40/25/1283974025.db2.gz LFOUKWAZCHHZJM-UHFFFAOYSA-N -2 3 365.400 0.399 20 0 FCADHL CN(CCCC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001591067474 1284127399 /nfs/dbraw/zinc/12/73/99/1284127399.db2.gz YTIQMGXXXOFONB-UHFFFAOYSA-N -2 3 357.367 0.632 20 0 FCADHL CN(CCCC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001591067474 1284127402 /nfs/dbraw/zinc/12/74/02/1284127402.db2.gz YTIQMGXXXOFONB-UHFFFAOYSA-N -2 3 357.367 0.632 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC001604618299 1287692978 /nfs/dbraw/zinc/69/29/78/1287692978.db2.gz RBBBZUVCBFPEIT-UHFFFAOYSA-N -2 3 351.396 0.661 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccccc1-c1nnn[n-]1 ZINC001591284380 1284442936 /nfs/dbraw/zinc/44/29/36/1284442936.db2.gz JULWPVYETKPNKJ-UHFFFAOYSA-N -2 3 363.359 0.486 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC001591284380 1284442942 /nfs/dbraw/zinc/44/29/42/1284442942.db2.gz JULWPVYETKPNKJ-UHFFFAOYSA-N -2 3 363.359 0.486 20 0 FCADHL CO[C@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001591321238 1284470256 /nfs/dbraw/zinc/47/02/56/1284470256.db2.gz KHPRYGLKHXKMSI-SNVBAGLBSA-N -2 3 353.404 0.628 20 0 FCADHL CO[C@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001591321238 1284470260 /nfs/dbraw/zinc/47/02/60/1284470260.db2.gz KHPRYGLKHXKMSI-SNVBAGLBSA-N -2 3 353.404 0.628 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@@](C)(C(=O)[O-])C1 ZINC001591362580 1284500294 /nfs/dbraw/zinc/50/02/94/1284500294.db2.gz QRTNVULYRGZXIO-YMTOWFKASA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@@](C)(C(=O)[O-])C1 ZINC001591362580 1284500303 /nfs/dbraw/zinc/50/03/03/1284500303.db2.gz QRTNVULYRGZXIO-YMTOWFKASA-N -2 3 367.387 0.119 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591376309 1284512276 /nfs/dbraw/zinc/51/22/76/1284512276.db2.gz SHDICNZMMOPVCE-MNOVXSKESA-N -2 3 367.431 0.526 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591376309 1284512289 /nfs/dbraw/zinc/51/22/89/1284512289.db2.gz SHDICNZMMOPVCE-MNOVXSKESA-N -2 3 367.431 0.526 20 0 FCADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC001604677571 1287725012 /nfs/dbraw/zinc/72/50/12/1287725012.db2.gz SKJQPFWYHAAWPM-LDYMZIIASA-N -2 3 368.371 0.184 20 0 FCADHL CN(C)C(=O)c1ccnc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001604671828 1287722686 /nfs/dbraw/zinc/72/26/86/1287722686.db2.gz PWEYFJLXUQJZMS-UHFFFAOYSA-N -2 3 374.386 0.159 20 0 FCADHL CN(C)C(=O)c1ccnc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001604671828 1287722695 /nfs/dbraw/zinc/72/26/95/1287722695.db2.gz PWEYFJLXUQJZMS-UHFFFAOYSA-N -2 3 374.386 0.159 20 0 FCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)C[C@@H](C)OC ZINC001591445471 1284600788 /nfs/dbraw/zinc/60/07/88/1284600788.db2.gz LTDGIMQETZVYDC-SNVBAGLBSA-N -2 3 371.419 0.669 20 0 FCADHL COc1ccc(CCS(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001591586647 1284750610 /nfs/dbraw/zinc/75/06/10/1284750610.db2.gz WTKWCOIUBBIGNP-UHFFFAOYSA-N -2 3 363.403 0.593 20 0 FCADHL COc1cccc(C(=O)NCC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)c1 ZINC001591631603 1284773118 /nfs/dbraw/zinc/77/31/18/1284773118.db2.gz HZJURQPMZJYSAW-UHFFFAOYSA-N -2 3 368.353 0.715 20 0 FCADHL COc1cccc(C(=O)NCC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)c1 ZINC001591631603 1284773127 /nfs/dbraw/zinc/77/31/27/1284773127.db2.gz HZJURQPMZJYSAW-UHFFFAOYSA-N -2 3 368.353 0.715 20 0 FCADHL COc1cccc(S(=O)(=O)[N-]C(=O)c2ncc(-c3nnn[n-]3)cc2C)c1 ZINC001591641919 1284776976 /nfs/dbraw/zinc/77/69/76/1284776976.db2.gz FUZVZQXWYNCJQO-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1cccc(S(=O)(=O)[N-]C(=O)c2ncc(-c3nn[n-]n3)cc2C)c1 ZINC001591641919 1284776980 /nfs/dbraw/zinc/77/69/80/1284776980.db2.gz FUZVZQXWYNCJQO-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1ncc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1-c1nnn[n-]1 ZINC001591668050 1284799692 /nfs/dbraw/zinc/79/96/92/1284799692.db2.gz NYKYVEDAIXAOEO-UHFFFAOYSA-N -2 3 354.286 0.764 20 0 FCADHL CSC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591691091 1284831754 /nfs/dbraw/zinc/83/17/54/1284831754.db2.gz YZWIRZUCGUFIPE-UHFFFAOYSA-N -2 3 353.429 0.708 20 0 FCADHL CSC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591691091 1284831760 /nfs/dbraw/zinc/83/17/60/1284831760.db2.gz YZWIRZUCGUFIPE-UHFFFAOYSA-N -2 3 353.429 0.708 20 0 FCADHL CSCC[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001591700788 1284838622 /nfs/dbraw/zinc/83/86/22/1284838622.db2.gz VBQWXPLMESZGGU-VIFPVBQESA-N -2 3 357.417 0.351 20 0 FCADHL CSCC[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001591700788 1284838635 /nfs/dbraw/zinc/83/86/35/1284838635.db2.gz VBQWXPLMESZGGU-VIFPVBQESA-N -2 3 357.417 0.351 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001591730626 1284860856 /nfs/dbraw/zinc/86/08/56/1284860856.db2.gz ZBEZUQUIEPGRPV-RXMQYKEDSA-N -2 3 365.293 0.637 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001591730626 1284860865 /nfs/dbraw/zinc/86/08/65/1284860865.db2.gz ZBEZUQUIEPGRPV-RXMQYKEDSA-N -2 3 365.293 0.637 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001591735456 1284865491 /nfs/dbraw/zinc/86/54/91/1284865491.db2.gz QXBAOGAGEROCIK-PRHODGIISA-N -2 3 369.378 0.773 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001591735456 1284865500 /nfs/dbraw/zinc/86/55/00/1284865500.db2.gz QXBAOGAGEROCIK-PRHODGIISA-N -2 3 369.378 0.773 20 0 FCADHL Cc1c(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cccc1-c1nnn[n-]1 ZINC001591824593 1284929186 /nfs/dbraw/zinc/92/91/86/1284929186.db2.gz JLPGDIOSUATFJE-GFCCVEGCSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1c(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cccc1-c1nn[n-]n1 ZINC001591824593 1284929196 /nfs/dbraw/zinc/92/91/96/1284929196.db2.gz JLPGDIOSUATFJE-GFCCVEGCSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC001591863485 1284953718 /nfs/dbraw/zinc/95/37/18/1284953718.db2.gz XWDVVKVXDLNRPP-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC001591863485 1284953724 /nfs/dbraw/zinc/95/37/24/1284953724.db2.gz XWDVVKVXDLNRPP-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC001591863353 1284955611 /nfs/dbraw/zinc/95/56/11/1284955611.db2.gz TUMUKRMRJYUTJD-LLVKDONJSA-N -2 3 365.415 0.802 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC001591863353 1284955619 /nfs/dbraw/zinc/95/56/19/1284955619.db2.gz TUMUKRMRJYUTJD-LLVKDONJSA-N -2 3 365.415 0.802 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC001591870770 1284958014 /nfs/dbraw/zinc/95/80/14/1284958014.db2.gz QMKRNNSCHDUMCB-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC001591870770 1284958028 /nfs/dbraw/zinc/95/80/28/1284958028.db2.gz QMKRNNSCHDUMCB-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001591871756 1284959284 /nfs/dbraw/zinc/95/92/84/1284959284.db2.gz CUCOFBUGGVXBEX-NSHDSACASA-N -2 3 353.404 0.810 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001591871756 1284959291 /nfs/dbraw/zinc/95/92/91/1284959291.db2.gz CUCOFBUGGVXBEX-NSHDSACASA-N -2 3 353.404 0.810 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC001591873562 1284959814 /nfs/dbraw/zinc/95/98/14/1284959814.db2.gz RVBXFLFVYSEZOS-UHFFFAOYSA-N -2 3 360.403 0.904 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC001591873562 1284959824 /nfs/dbraw/zinc/95/98/24/1284959824.db2.gz RVBXFLFVYSEZOS-UHFFFAOYSA-N -2 3 360.403 0.904 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](C)CCC(=O)[O-] ZINC001591872391 1284960181 /nfs/dbraw/zinc/96/01/81/1284960181.db2.gz IUMHLFMOWOMXFO-VIFPVBQESA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](C)CCC(=O)[O-] ZINC001591872391 1284960191 /nfs/dbraw/zinc/96/01/91/1284960191.db2.gz IUMHLFMOWOMXFO-VIFPVBQESA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)ncc1-c1nnn[n-]1 ZINC001591913782 1285004763 /nfs/dbraw/zinc/00/47/63/1285004763.db2.gz LNCVJASOVPNRDP-UHFFFAOYSA-N -2 3 355.362 0.414 20 0 FCADHL Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)ncc1-c1nn[n-]n1 ZINC001591913782 1285004772 /nfs/dbraw/zinc/00/47/72/1285004772.db2.gz LNCVJASOVPNRDP-UHFFFAOYSA-N -2 3 355.362 0.414 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001591990740 1285046535 /nfs/dbraw/zinc/04/65/35/1285046535.db2.gz SIUAGEYIMFAYSB-LLVKDONJSA-N -2 3 369.378 0.942 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1ncc(-c2nnn[n-]2)cc1F ZINC001604749488 1287762157 /nfs/dbraw/zinc/76/21/57/1287762157.db2.gz YYSGGRWXYVDDQW-UHFFFAOYSA-N -2 3 372.364 0.758 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1ncc(-c2nn[n-]n2)cc1F ZINC001604749488 1287762162 /nfs/dbraw/zinc/76/21/62/1287762162.db2.gz YYSGGRWXYVDDQW-UHFFFAOYSA-N -2 3 372.364 0.758 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001592101648 1285138564 /nfs/dbraw/zinc/13/85/64/1285138564.db2.gz AWARJSDEFCYNKO-GFCCVEGCSA-N -2 3 374.401 0.977 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001592101648 1285138572 /nfs/dbraw/zinc/13/85/72/1285138572.db2.gz AWARJSDEFCYNKO-GFCCVEGCSA-N -2 3 374.401 0.977 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@H]1C ZINC001592109618 1285142747 /nfs/dbraw/zinc/14/27/47/1285142747.db2.gz UFXZILNYVZXOLJ-PWSUYJOCSA-N -2 3 365.415 0.653 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@H]1C ZINC001592109618 1285142754 /nfs/dbraw/zinc/14/27/54/1285142754.db2.gz UFXZILNYVZXOLJ-PWSUYJOCSA-N -2 3 365.415 0.653 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001592109325 1285144035 /nfs/dbraw/zinc/14/40/35/1285144035.db2.gz GFKOCFJBGRYODY-ONGXEEELSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001592109325 1285144041 /nfs/dbraw/zinc/14/40/41/1285144041.db2.gz GFKOCFJBGRYODY-ONGXEEELSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ncccc2F)cc1-c1nnn[n-]1 ZINC001592127913 1285157497 /nfs/dbraw/zinc/15/74/97/1285157497.db2.gz BJVOIUGTWNBUIK-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ncccc2F)cc1-c1nn[n-]n1 ZINC001592127913 1285157504 /nfs/dbraw/zinc/15/75/04/1285157504.db2.gz BJVOIUGTWNBUIK-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592189404 1285173225 /nfs/dbraw/zinc/17/32/25/1285173225.db2.gz BWSRDXYEKBRNQM-CABZTGNLSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592189404 1285173226 /nfs/dbraw/zinc/17/32/26/1285173226.db2.gz BWSRDXYEKBRNQM-CABZTGNLSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592189581 1285173745 /nfs/dbraw/zinc/17/37/45/1285173745.db2.gz GXVKUEUWQJZINV-UHFFFAOYSA-N -2 3 374.382 0.454 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c1 ZINC001592190349 1285175747 /nfs/dbraw/zinc/17/57/47/1285175747.db2.gz QFZCICGXYXHIJL-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(-c2nn[n-]n2)c1 ZINC001592190349 1285175750 /nfs/dbraw/zinc/17/57/50/1285175750.db2.gz QFZCICGXYXHIJL-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001592213857 1285184978 /nfs/dbraw/zinc/18/49/78/1285184978.db2.gz JWYZBGHFEWESDT-WDEREUQCSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001592213857 1285184985 /nfs/dbraw/zinc/18/49/85/1285184985.db2.gz JWYZBGHFEWESDT-WDEREUQCSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(S(=O)(=O)NC[C@H]2CCC[C@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001592239644 1285196759 /nfs/dbraw/zinc/19/67/59/1285196759.db2.gz KVVBLIHFSXWPQX-GHMZBOCLSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cccc(S(=O)(=O)NC[C@H]2CCC[C@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001592239644 1285196761 /nfs/dbraw/zinc/19/67/61/1285196761.db2.gz KVVBLIHFSXWPQX-GHMZBOCLSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1ccnc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1-c1nnn[n-]1 ZINC001592272515 1285211693 /nfs/dbraw/zinc/21/16/93/1285211693.db2.gz FNOIXLBGNMKNAO-LLVKDONJSA-N -2 3 371.401 0.472 20 0 FCADHL Cc1ccnc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1-c1nn[n-]n1 ZINC001592272515 1285211697 /nfs/dbraw/zinc/21/16/97/1285211697.db2.gz FNOIXLBGNMKNAO-LLVKDONJSA-N -2 3 371.401 0.472 20 0 FCADHL Cc1cnc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c([O-])c1 ZINC001592288406 1285217352 /nfs/dbraw/zinc/21/73/52/1285217352.db2.gz MQOQEALNABSRTH-UHFFFAOYSA-N -2 3 366.385 0.633 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1-c1nnn[n-]1 ZINC001592377200 1285289531 /nfs/dbraw/zinc/28/95/31/1285289531.db2.gz LYKFXLRFVZFCSY-SCZZXKLOSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1-c1nn[n-]n1 ZINC001592377200 1285289537 /nfs/dbraw/zinc/28/95/37/1285289537.db2.gz LYKFXLRFVZFCSY-SCZZXKLOSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592411605 1285326214 /nfs/dbraw/zinc/32/62/14/1285326214.db2.gz FMTVCLQHJIVKME-GMSGAONNSA-N -2 3 370.416 0.107 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592411605 1285326221 /nfs/dbraw/zinc/32/62/21/1285326221.db2.gz FMTVCLQHJIVKME-GMSGAONNSA-N -2 3 370.416 0.107 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCCCC[C@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592412671 1285328752 /nfs/dbraw/zinc/32/87/52/1285328752.db2.gz IXXGXUXFGIQKCV-LBPRGKRZSA-N -2 3 366.403 0.588 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCCCC[C@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592412671 1285328763 /nfs/dbraw/zinc/32/87/63/1285328763.db2.gz IXXGXUXFGIQKCV-LBPRGKRZSA-N -2 3 366.403 0.588 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)cc1-c1nnn[n-]1 ZINC001592413681 1285332583 /nfs/dbraw/zinc/33/25/83/1285332583.db2.gz VNXQYYJTLFQHRI-VIFPVBQESA-N -2 3 352.376 0.055 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001592413681 1285332589 /nfs/dbraw/zinc/33/25/89/1285332589.db2.gz VNXQYYJTLFQHRI-VIFPVBQESA-N -2 3 352.376 0.055 20 0 FCADHL Cc1noc(C)c1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001592458545 1285394703 /nfs/dbraw/zinc/39/47/03/1285394703.db2.gz XLAIFMGHHAQLNL-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1noc(C)c1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001592458545 1285394714 /nfs/dbraw/zinc/39/47/14/1285394714.db2.gz XLAIFMGHHAQLNL-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1oc(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1C(=O)[O-] ZINC001592508589 1285431916 /nfs/dbraw/zinc/43/19/16/1285431916.db2.gz GISFUUGNVHDRIS-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1oc(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1C(=O)[O-] ZINC001592508589 1285431920 /nfs/dbraw/zinc/43/19/20/1285431920.db2.gz GISFUUGNVHDRIS-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1sc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c(-c2nn[n-]n2)c1C ZINC001592520000 1285447394 /nfs/dbraw/zinc/44/73/94/1285447394.db2.gz NSDOJKYNRKZDLL-QMMMGPOBSA-N -2 3 358.449 0.763 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC001592561561 1285473260 /nfs/dbraw/zinc/47/32/60/1285473260.db2.gz LRWUVVOVUUGMRW-UHFFFAOYSA-N -2 3 352.420 0.845 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC001592561561 1285473263 /nfs/dbraw/zinc/47/32/63/1285473263.db2.gz LRWUVVOVUUGMRW-UHFFFAOYSA-N -2 3 352.420 0.845 20 0 FCADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(F)(F)F)n1 ZINC001592574612 1285490887 /nfs/dbraw/zinc/49/08/87/1285490887.db2.gz MBWIYDIVQSQETG-UHFFFAOYSA-N -2 3 374.308 0.815 20 0 FCADHL NS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001592752038 1285673607 /nfs/dbraw/zinc/67/36/07/1285673607.db2.gz ZJFJULGCSMJAQK-UHFFFAOYSA-N -2 3 366.384 0.534 20 0 FCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001592753126 1285676235 /nfs/dbraw/zinc/67/62/35/1285676235.db2.gz NPOLJPTZFPHUCD-UHFFFAOYSA-N -2 3 355.343 0.271 20 0 FCADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001592753126 1285676241 /nfs/dbraw/zinc/67/62/41/1285676241.db2.gz NPOLJPTZFPHUCD-UHFFFAOYSA-N -2 3 355.343 0.271 20 0 FCADHL Nc1cn[n-]c(=NNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC001592761032 1285682660 /nfs/dbraw/zinc/68/26/60/1285682660.db2.gz UUGBQYKHBBPYIC-UHFFFAOYSA-N -2 3 367.782 0.198 20 0 FCADHL Nc1cn[n-]c(=NNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC001592761032 1285682663 /nfs/dbraw/zinc/68/26/63/1285682663.db2.gz UUGBQYKHBBPYIC-UHFFFAOYSA-N -2 3 367.782 0.198 20 0 FCADHL O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001592831323 1285744284 /nfs/dbraw/zinc/74/42/84/1285744284.db2.gz PKMKZVBNTBQRDZ-CYBMUJFWSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001592831323 1285744289 /nfs/dbraw/zinc/74/42/89/1285744289.db2.gz PKMKZVBNTBQRDZ-CYBMUJFWSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(NCC=CCNC(=O)c1ncccc1[O-])c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593049956 1285942632 /nfs/dbraw/zinc/94/26/32/1285942632.db2.gz AHDYBDUTWQKDBO-OWOJBTEDSA-N -2 3 368.357 0.011 20 0 FCADHL O=C(NCC=CCNC(=O)c1ncccc1[O-])c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593049956 1285942637 /nfs/dbraw/zinc/94/26/37/1285942637.db2.gz AHDYBDUTWQKDBO-OWOJBTEDSA-N -2 3 368.357 0.011 20 0 FCADHL O=C(NCCCNc1ncc(-c2nnn[n-]2)cc1F)c1ncccc1[O-] ZINC001593079154 1285976047 /nfs/dbraw/zinc/97/60/47/1285976047.db2.gz XTBCYQJNNVXJSP-UHFFFAOYSA-N -2 3 358.337 0.733 20 0 FCADHL O=C(NCCCNc1ncc(-c2nn[n-]n2)cc1F)c1ncccc1[O-] ZINC001593079154 1285976050 /nfs/dbraw/zinc/97/60/50/1285976050.db2.gz XTBCYQJNNVXJSP-UHFFFAOYSA-N -2 3 358.337 0.733 20 0 FCADHL O=C(NCCc1nc(=O)o[n-]1)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001593107090 1286007065 /nfs/dbraw/zinc/00/70/65/1286007065.db2.gz TWEHENYNEQUDER-UHFFFAOYSA-N -2 3 359.321 0.073 20 0 FCADHL O=C(NCCc1nc(=O)o[n-]1)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001593107090 1286007069 /nfs/dbraw/zinc/00/70/69/1286007069.db2.gz TWEHENYNEQUDER-UHFFFAOYSA-N -2 3 359.321 0.073 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593273502 1286056979 /nfs/dbraw/zinc/05/69/79/1286056979.db2.gz HSELXBWDFCOXLX-NRUUGDAUSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593273502 1286056983 /nfs/dbraw/zinc/05/69/83/1286056983.db2.gz HSELXBWDFCOXLX-NRUUGDAUSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)C2 ZINC001593274551 1286058491 /nfs/dbraw/zinc/05/84/91/1286058491.db2.gz NPIUQDMBSMRYSK-CPFSXVBKSA-N -2 3 371.325 0.240 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)C2 ZINC001593274551 1286058494 /nfs/dbraw/zinc/05/84/94/1286058494.db2.gz NPIUQDMBSMRYSK-CPFSXVBKSA-N -2 3 371.325 0.240 20 0 FCADHL O=C([O-])C1CCN(C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001593275833 1286058984 /nfs/dbraw/zinc/05/89/84/1286058984.db2.gz XXWDOWIVNXMYMG-AWEZNQCLSA-N -2 3 356.386 0.840 20 0 FCADHL O=C([O-])C1CCN(C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001593275833 1286058991 /nfs/dbraw/zinc/05/89/91/1286058991.db2.gz XXWDOWIVNXMYMG-AWEZNQCLSA-N -2 3 356.386 0.840 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CCC1 ZINC001593275629 1286059751 /nfs/dbraw/zinc/05/97/51/1286059751.db2.gz GWUUZYCQTYTXAZ-UHFFFAOYSA-N -2 3 355.351 0.539 20 0 FCADHL O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001593277031 1286060293 /nfs/dbraw/zinc/06/02/93/1286060293.db2.gz XLKOBVOROPRKBC-LBPRGKRZSA-N -2 3 363.355 0.434 20 0 FCADHL O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001593277031 1286060298 /nfs/dbraw/zinc/06/02/98/1286060298.db2.gz XLKOBVOROPRKBC-LBPRGKRZSA-N -2 3 363.355 0.434 20 0 FCADHL O=C([O-])CCCC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593278268 1286060602 /nfs/dbraw/zinc/06/06/02/1286060602.db2.gz WXUQEMGLYZELLJ-UHFFFAOYSA-N -3 3 371.350 0.207 20 0 FCADHL O=C([O-])[C@@H](C(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1)C1CC1 ZINC001593277065 1286060766 /nfs/dbraw/zinc/06/07/66/1286060766.db2.gz YGDJUAGWXRWIBS-CQSZACIVSA-N -2 3 374.376 0.765 20 0 FCADHL O=C([O-])[C@@H](C(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1)C1CC1 ZINC001593277065 1286060768 /nfs/dbraw/zinc/06/07/68/1286060768.db2.gz YGDJUAGWXRWIBS-CQSZACIVSA-N -2 3 374.376 0.765 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC12CCCC2 ZINC001593276684 1286060902 /nfs/dbraw/zinc/06/09/02/1286060902.db2.gz NSJSZKOTFLBQQR-GFCCVEGCSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC12CCCC2 ZINC001593276684 1286060903 /nfs/dbraw/zinc/06/09/03/1286060903.db2.gz NSJSZKOTFLBQQR-GFCCVEGCSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(F)F ZINC001593277464 1286060916 /nfs/dbraw/zinc/06/09/16/1286060916.db2.gz ZLXURNIQPYBCPP-YFKPBYRVSA-N -2 3 367.359 0.563 20 0 FCADHL O=C([O-])[C@@H]1CSCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001593278865 1286061800 /nfs/dbraw/zinc/06/18/00/1286061800.db2.gz DSUGNMMOOHFVMD-VIFPVBQESA-N -2 3 359.364 0.154 20 0 FCADHL O=C([O-])[C@@H]1CSCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001593278865 1286061803 /nfs/dbraw/zinc/06/18/03/1286061803.db2.gz DSUGNMMOOHFVMD-VIFPVBQESA-N -2 3 359.364 0.154 20 0 FCADHL O=C([O-])CCNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001593278746 1286061959 /nfs/dbraw/zinc/06/19/59/1286061959.db2.gz WGWOBURTCNWVBX-LBPRGKRZSA-N -2 3 373.373 0.136 20 0 FCADHL O=C([O-])CCNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001593278746 1286061963 /nfs/dbraw/zinc/06/19/63/1286061963.db2.gz WGWOBURTCNWVBX-LBPRGKRZSA-N -2 3 373.373 0.136 20 0 FCADHL O=C([O-])CCNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001593278378 1286062184 /nfs/dbraw/zinc/06/21/84/1286062184.db2.gz AWXUQAUMYHTZSP-UHFFFAOYSA-N -2 3 350.404 0.874 20 0 FCADHL O=C([O-])CCNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001593278378 1286062185 /nfs/dbraw/zinc/06/21/85/1286062185.db2.gz AWXUQAUMYHTZSP-UHFFFAOYSA-N -2 3 350.404 0.874 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001593279505 1286063445 /nfs/dbraw/zinc/06/34/45/1286063445.db2.gz OSJSSZZQRKOYJW-LBPRGKRZSA-N -2 3 360.355 0.366 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001593279505 1286063447 /nfs/dbraw/zinc/06/34/47/1286063447.db2.gz OSJSSZZQRKOYJW-LBPRGKRZSA-N -2 3 360.355 0.366 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001593382183 1286102749 /nfs/dbraw/zinc/10/27/49/1286102749.db2.gz VWHXLMILUFLDLZ-HZSPNIEDSA-N -2 3 356.386 0.972 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001593382183 1286102754 /nfs/dbraw/zinc/10/27/54/1286102754.db2.gz VWHXLMILUFLDLZ-HZSPNIEDSA-N -2 3 356.386 0.972 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@]1(C2CCCC2)CCNC1=O ZINC001593405205 1286126259 /nfs/dbraw/zinc/12/62/59/1286126259.db2.gz NHYGUUMKUROGRM-KRWDZBQOSA-N -2 3 356.386 0.973 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@]1(C2CCCC2)CCNC1=O ZINC001593405205 1286126261 /nfs/dbraw/zinc/12/62/61/1286126261.db2.gz NHYGUUMKUROGRM-KRWDZBQOSA-N -2 3 356.386 0.973 20 0 FCADHL Cc1cc(Br)sc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-] ZINC001600073537 1286437340 /nfs/dbraw/zinc/43/73/40/1286437340.db2.gz RGXJZEGHBXOBHI-UHFFFAOYSA-N -2 3 371.234 0.298 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC2OCCO2)C(=O)[O-])cc1F ZINC001600228352 1286455721 /nfs/dbraw/zinc/45/57/21/1286455721.db2.gz HUWNFSQHJOEZRV-SNVBAGLBSA-N -2 3 351.327 0.768 20 0 FCADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(N)=O)oc1C(=O)[O-] ZINC001600297665 1286471815 /nfs/dbraw/zinc/47/18/15/1286471815.db2.gz VTTXLVCINHTCFJ-NSHDSACASA-N -2 3 352.368 0.661 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CCNC(=O)c2cccnc2)oc1C(=O)[O-] ZINC001600300097 1286473160 /nfs/dbraw/zinc/47/31/60/1286473160.db2.gz ZHRDOZIUHYXSKC-UHFFFAOYSA-N -2 3 353.356 0.390 20 0 FCADHL CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC001609307044 1289078573 /nfs/dbraw/zinc/07/85/73/1289078573.db2.gz MNIOHONVUWVXCK-NSHDSACASA-N -2 3 371.806 0.750 20 0 FCADHL CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC001609307044 1289078581 /nfs/dbraw/zinc/07/85/81/1289078581.db2.gz MNIOHONVUWVXCK-NSHDSACASA-N -2 3 371.806 0.750 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]CCC(=O)NCCC(=O)[O-])c(F)c1F ZINC001600481758 1286496358 /nfs/dbraw/zinc/49/63/58/1286496358.db2.gz OIGYMGXADJMRJQ-UHFFFAOYSA-N -2 3 350.343 0.533 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCNC(=O)c2cccc(C)c2)c1C(=O)[O-] ZINC001600512156 1286500757 /nfs/dbraw/zinc/50/07/57/1286500757.db2.gz YRUPXSQJBNUSMF-UHFFFAOYSA-N -2 3 366.399 0.433 20 0 FCADHL Cc1cccc(CN2CC[C@H]([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])C2)c1 ZINC001600532807 1286503071 /nfs/dbraw/zinc/50/30/71/1286503071.db2.gz WPFGKQLKWDINBJ-ZDUSSCGKSA-N -2 3 364.427 0.969 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCOC3(CCOCC3)C2)c1C(=O)[O-] ZINC001600672272 1286522624 /nfs/dbraw/zinc/52/26/24/1286522624.db2.gz BNJCIRUHHZHRFO-SNVBAGLBSA-N -2 3 359.404 0.423 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(F)cc2)c1C(=O)[O-] ZINC001600672244 1286522778 /nfs/dbraw/zinc/52/27/78/1286522778.db2.gz AXDIKWBGKFSJGR-LLVKDONJSA-N -2 3 357.363 0.437 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)c1C(=O)[O-] ZINC001600672902 1286524136 /nfs/dbraw/zinc/52/41/36/1286524136.db2.gz KLPNAONTQVSXHF-VIFPVBQESA-N -2 3 361.326 0.706 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](O)COc2ccc(F)cc2)c1C(=O)[O-] ZINC001600673065 1286524231 /nfs/dbraw/zinc/52/42/31/1286524231.db2.gz MGRLBBQGOQGPBZ-JTQLQIEISA-N -2 3 373.362 0.274 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)C(=O)NCc2ccccc2)c1C(=O)[O-] ZINC001600673450 1286524804 /nfs/dbraw/zinc/52/48/04/1286524804.db2.gz QPVBIFIRROFQIO-SNVBAGLBSA-N -2 3 366.399 0.400 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(=O)[n-]1 ZINC001600691802 1286527687 /nfs/dbraw/zinc/52/76/87/1286527687.db2.gz QRKUEJQUSRUELG-UHFFFAOYSA-N -3 3 365.367 0.545 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1C(=O)[O-] ZINC001600855701 1286557838 /nfs/dbraw/zinc/55/78/38/1286557838.db2.gz VTLFGZGAOOOATR-DZGCQCFKSA-N -2 3 359.400 0.885 20 0 FCADHL Cn1c(=O)ccc2c1CCC[C@@H]2[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001600923070 1286570052 /nfs/dbraw/zinc/57/00/52/1286570052.db2.gz VNCDDMRJAFBXSU-VIFPVBQESA-N -2 3 369.424 0.896 20 0 FCADHL Cn1cc([C@H](CO)[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC001600938924 1286575480 /nfs/dbraw/zinc/57/54/80/1286575480.db2.gz MRQDMAAWKMWEJC-NSHDSACASA-N -2 3 359.791 0.784 20 0 FCADHL Cn1cnnc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001600994567 1286592397 /nfs/dbraw/zinc/59/23/97/1286592397.db2.gz LEABVEUHPABLSU-JTQLQIEISA-N -2 3 360.779 0.179 20 0 FCADHL COC[C@H]([N-]S(=O)(=O)c1cccnc1-c1nnn[n-]1)c1ccco1 ZINC001609317965 1289088670 /nfs/dbraw/zinc/08/86/70/1289088670.db2.gz NPFXOVHAWHYOPE-VIFPVBQESA-N -2 3 350.360 0.521 20 0 FCADHL COC[C@H]([N-]S(=O)(=O)c1cccnc1-c1nn[n-]n1)c1ccco1 ZINC001609317965 1289088676 /nfs/dbraw/zinc/08/86/76/1289088676.db2.gz NPFXOVHAWHYOPE-VIFPVBQESA-N -2 3 350.360 0.521 20 0 FCADHL NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001601138655 1286645956 /nfs/dbraw/zinc/64/59/56/1286645956.db2.gz OFOPEFXJRKTNJV-SECBINFHSA-N -2 3 355.397 0.216 20 0 FCADHL NC(=O)[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccc(F)cc1 ZINC001601138938 1286646619 /nfs/dbraw/zinc/64/66/19/1286646619.db2.gz GAXNBNBKQINUEO-MRVPVSSYSA-N -2 3 359.360 0.485 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCNC(=O)CC1CCCCC1 ZINC001601253791 1286706932 /nfs/dbraw/zinc/70/69/32/1286706932.db2.gz IACHYUZQLJLVCK-UHFFFAOYSA-N -2 3 358.420 0.473 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC(=O)NCc2ccccc2)c1 ZINC001601279424 1286712049 /nfs/dbraw/zinc/71/20/49/1286712049.db2.gz JDZALJKVMMBLFQ-UHFFFAOYSA-N -2 3 352.368 0.963 20 0 FCADHL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001609324160 1289095717 /nfs/dbraw/zinc/09/57/17/1289095717.db2.gz OUKYHMHEDRRAEN-SNVBAGLBSA-N -2 3 369.403 0.285 20 0 FCADHL O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001601322782 1286727358 /nfs/dbraw/zinc/72/73/58/1286727358.db2.gz ZBBGXQIMQNRMEO-BXUZGUMPSA-N -2 3 350.371 0.508 20 0 FCADHL O=C([O-])[C@@H](CO)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001601420502 1286743081 /nfs/dbraw/zinc/74/30/81/1286743081.db2.gz USJBTXCOIZRJSG-SNVBAGLBSA-N -2 3 355.144 0.466 20 0 FCADHL O=C([O-])c1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c[nH]1 ZINC001601511575 1286774891 /nfs/dbraw/zinc/77/48/91/1286774891.db2.gz OSFHMJYKANYFRV-UHFFFAOYSA-N -2 3 373.337 0.699 20 0 FCADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)[C@H]1CCOC1 ZINC001601655873 1286801914 /nfs/dbraw/zinc/80/19/14/1286801914.db2.gz VJSUKNVTGWJEBO-IONNQARKSA-N -2 3 352.771 0.890 20 0 FCADHL O=C([O-])C1=NO[C@]2(CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)C1 ZINC001601745570 1286819967 /nfs/dbraw/zinc/81/99/67/1286819967.db2.gz PMJBIAADFLSNPN-LLVKDONJSA-N -2 3 362.268 0.339 20 0 FCADHL O=C([O-])C[C@@H](CNC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)C1CC1 ZINC001601892117 1286863214 /nfs/dbraw/zinc/86/32/14/1286863214.db2.gz OJORBAYZJMJFGT-ZETCQYMHSA-N -2 3 363.296 0.057 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)C1(C(F)F)CC1 ZINC001609338836 1289108905 /nfs/dbraw/zinc/10/89/05/1289108905.db2.gz TZTAOUJMTXHDBH-UHFFFAOYSA-N -2 3 373.341 0.726 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)C1(C(F)F)CC1 ZINC001609338836 1289108908 /nfs/dbraw/zinc/10/89/08/1289108908.db2.gz TZTAOUJMTXHDBH-UHFFFAOYSA-N -2 3 373.341 0.726 20 0 FCADHL O=C([O-])CN1CCC(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001602061165 1286916157 /nfs/dbraw/zinc/91/61/57/1286916157.db2.gz HKTVMWUSCXXQMG-UHFFFAOYSA-N -2 3 356.400 0.353 20 0 FCADHL O=C([O-])CSCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001602100179 1286936706 /nfs/dbraw/zinc/93/67/06/1286936706.db2.gz IIOKLBMMXLDOQN-UHFFFAOYSA-N -2 3 371.381 0.904 20 0 FCADHL O=C([O-])[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001602203438 1286969012 /nfs/dbraw/zinc/96/90/12/1286969012.db2.gz DPPLNDPTLJOKNK-IMTBSYHQSA-N -2 3 351.178 0.365 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cnc3n2CCOC3)c1F ZINC001602228172 1286972823 /nfs/dbraw/zinc/97/28/23/1286972823.db2.gz KNUTYEZTDPUJKS-UHFFFAOYSA-N -2 3 373.337 0.868 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2COCC[C@H]2O)c1F ZINC001602264032 1286976128 /nfs/dbraw/zinc/97/61/28/1286976128.db2.gz FQBWHCWXGBABSG-RKDXNWHRSA-N -2 3 353.755 0.605 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)C(=O)OCc2ccccc2)o1 ZINC001602396498 1286995779 /nfs/dbraw/zinc/99/57/79/1286995779.db2.gz VGHDHJPSNCPZNS-LLVKDONJSA-N -2 3 369.351 0.360 20 0 FCADHL O=C([O-])c1ccnc(S(=O)(=O)[N-]C[C@@H](n2cncn2)C(F)(F)F)c1 ZINC001602484502 1287008845 /nfs/dbraw/zinc/00/88/45/1287008845.db2.gz MUPDJTCPDDIOMO-MRVPVSSYSA-N -2 3 365.293 0.453 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCN(Cc2ccccc2)C1=O ZINC001602506579 1287017683 /nfs/dbraw/zinc/01/76/83/1287017683.db2.gz FIBNYOMSSZLRGW-LBPRGKRZSA-N -2 3 364.383 0.187 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCN1CCc2sccc2C1 ZINC001602506979 1287018496 /nfs/dbraw/zinc/01/84/96/1287018496.db2.gz WCBHGLNWMNTFPX-UHFFFAOYSA-N -2 3 356.429 0.506 20 0 FCADHL O=C([O-])C(F)=C(NCCc1ccc(F)cc1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602655854 1287051650 /nfs/dbraw/zinc/05/16/50/1287051650.db2.gz ISHWLCPGULFJAU-JTQLQIEISA-N -3 3 369.349 0.166 20 0 FCADHL O=C([O-])C(F)=C(Nc1cccc(Cl)c1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602656476 1287052905 /nfs/dbraw/zinc/05/29/05/1287052905.db2.gz OYJDJAWQSOGXIO-MRVPVSSYSA-N -3 3 357.750 0.960 20 0 FCADHL CC(=O)N1CC[C@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001603016141 1287185123 /nfs/dbraw/zinc/18/51/23/1287185123.db2.gz IELINPSILWYSKN-SECBINFHSA-N -2 3 362.354 0.810 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001603031194 1287192335 /nfs/dbraw/zinc/19/23/35/1287192335.db2.gz BNXUNCOYNWQSSO-VIFPVBQESA-N -2 3 351.388 0.349 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001603031194 1287192339 /nfs/dbraw/zinc/19/23/39/1287192339.db2.gz BNXUNCOYNWQSSO-VIFPVBQESA-N -2 3 351.388 0.349 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001603031158 1287192376 /nfs/dbraw/zinc/19/23/76/1287192376.db2.gz AXAJVBCSSAUDCL-ZETCQYMHSA-N -2 3 355.351 0.347 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cccc1-c1nnn[n-]1 ZINC001609384387 1289131819 /nfs/dbraw/zinc/13/18/19/1289131819.db2.gz LILDEXUMJCZQAM-SKDRFNHKSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cccc1-c1nn[n-]n1 ZINC001609384387 1289131823 /nfs/dbraw/zinc/13/18/23/1289131823.db2.gz LILDEXUMJCZQAM-SKDRFNHKSA-N -2 3 372.385 0.683 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001605005865 1287834736 /nfs/dbraw/zinc/83/47/36/1287834736.db2.gz RYPCQRSCMRXVJF-MNOVXSKESA-N -2 3 367.431 0.526 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605005865 1287834741 /nfs/dbraw/zinc/83/47/41/1287834741.db2.gz RYPCQRSCMRXVJF-MNOVXSKESA-N -2 3 367.431 0.526 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001605052316 1287856637 /nfs/dbraw/zinc/85/66/37/1287856637.db2.gz XWWHJGWPESKBON-SECBINFHSA-N -2 3 371.394 0.624 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001605052316 1287856638 /nfs/dbraw/zinc/85/66/38/1287856638.db2.gz XWWHJGWPESKBON-SECBINFHSA-N -2 3 371.394 0.624 20 0 FCADHL COCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001605079654 1287870846 /nfs/dbraw/zinc/87/08/46/1287870846.db2.gz XODYQDAVTXRKIU-UHFFFAOYSA-N -2 3 367.431 0.875 20 0 FCADHL COCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001605079654 1287870847 /nfs/dbraw/zinc/87/08/47/1287870847.db2.gz XODYQDAVTXRKIU-UHFFFAOYSA-N -2 3 367.431 0.875 20 0 FCADHL COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001605094741 1287878251 /nfs/dbraw/zinc/87/82/51/1287878251.db2.gz ADFWSLZRUMSBOD-UHFFFAOYSA-N -2 3 374.810 0.073 20 0 FCADHL COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001605094741 1287878255 /nfs/dbraw/zinc/87/82/55/1287878255.db2.gz ADFWSLZRUMSBOD-UHFFFAOYSA-N -2 3 374.810 0.073 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1nccs1 ZINC001609416926 1289143510 /nfs/dbraw/zinc/14/35/10/1289143510.db2.gz WEWWISBALGKNGS-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1nccs1 ZINC001609416926 1289143513 /nfs/dbraw/zinc/14/35/13/1289143513.db2.gz WEWWISBALGKNGS-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)n1C ZINC001609419056 1289145116 /nfs/dbraw/zinc/14/51/16/1289145116.db2.gz JIFAGEAFOBRUSL-UHFFFAOYSA-N -2 3 360.399 0.773 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)n1C ZINC001609419056 1289145118 /nfs/dbraw/zinc/14/51/18/1289145118.db2.gz JIFAGEAFOBRUSL-UHFFFAOYSA-N -2 3 360.399 0.773 20 0 FCADHL CCNC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001605495640 1287982466 /nfs/dbraw/zinc/98/24/66/1287982466.db2.gz AKYZBQHOGJAZNG-UHFFFAOYSA-N -2 3 353.356 0.601 20 0 FCADHL CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cccnc1C(=O)[O-])C(F)(F)F ZINC001605534003 1287992292 /nfs/dbraw/zinc/99/22/92/1287992292.db2.gz TXMLCNRDFZCFQQ-QMMMGPOBSA-N -2 3 370.305 0.942 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)n1 ZINC001605560474 1288004448 /nfs/dbraw/zinc/00/44/48/1288004448.db2.gz UXYUDKNQLGKZLX-LBPRGKRZSA-N -2 3 356.312 0.612 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)n1 ZINC001605560474 1288004454 /nfs/dbraw/zinc/00/44/54/1288004454.db2.gz UXYUDKNQLGKZLX-LBPRGKRZSA-N -2 3 356.312 0.612 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001609432952 1289148476 /nfs/dbraw/zinc/14/84/76/1289148476.db2.gz XEPAVMOJITWLDH-KOLCDFICSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001609432952 1289148480 /nfs/dbraw/zinc/14/84/80/1289148480.db2.gz XEPAVMOJITWLDH-KOLCDFICSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCC2 ZINC001605801447 1288089939 /nfs/dbraw/zinc/08/99/39/1288089939.db2.gz KMRFCICEBWOXRC-UHFFFAOYSA-N -2 3 373.398 0.437 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCC2 ZINC001605801447 1288089945 /nfs/dbraw/zinc/08/99/45/1288089945.db2.gz KMRFCICEBWOXRC-UHFFFAOYSA-N -2 3 373.398 0.437 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC001605895396 1288101395 /nfs/dbraw/zinc/10/13/95/1288101395.db2.gz HQAVECYHNWNORS-GZMMTYOYSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC001605895396 1288101397 /nfs/dbraw/zinc/10/13/97/1288101397.db2.gz HQAVECYHNWNORS-GZMMTYOYSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC001605894885 1288101423 /nfs/dbraw/zinc/10/14/23/1288101423.db2.gz BRNZLPPUEJLCGQ-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC001605894885 1288101427 /nfs/dbraw/zinc/10/14/27/1288101427.db2.gz BRNZLPPUEJLCGQ-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1nc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)ccc1-c1nnn[n-]1 ZINC001609453802 1289160015 /nfs/dbraw/zinc/16/00/15/1289160015.db2.gz VCSRXAPFDGSCIQ-UHFFFAOYSA-N -2 3 370.345 0.833 20 0 FCADHL Cc1nc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)ccc1-c1nn[n-]n1 ZINC001609453802 1289160017 /nfs/dbraw/zinc/16/00/17/1289160017.db2.gz VCSRXAPFDGSCIQ-UHFFFAOYSA-N -2 3 370.345 0.833 20 0 FCADHL Cc1ncc(S(=O)(=O)N(CC(=O)[O-])CC(C)C)cc1-c1nnn[n-]1 ZINC001609456017 1289160696 /nfs/dbraw/zinc/16/06/96/1289160696.db2.gz XEPKGLFCQOJXIT-UHFFFAOYSA-N -2 3 354.392 0.301 20 0 FCADHL Cc1ncc(S(=O)(=O)N(CC(=O)[O-])CC(C)C)cc1-c1nn[n-]n1 ZINC001609456017 1289160698 /nfs/dbraw/zinc/16/06/98/1289160698.db2.gz XEPKGLFCQOJXIT-UHFFFAOYSA-N -2 3 354.392 0.301 20 0 FCADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C2CC2)n1 ZINC001606232718 1288221252 /nfs/dbraw/zinc/22/12/52/1288221252.db2.gz PZAFMAVOJQFEAF-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C2CC2)n1 ZINC001606232718 1288221257 /nfs/dbraw/zinc/22/12/57/1288221257.db2.gz PZAFMAVOJQFEAF-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)ccc1F ZINC001606303789 1288259749 /nfs/dbraw/zinc/25/97/49/1288259749.db2.gz XWNNFGNUUZUMEE-ZDUSSCGKSA-N -2 3 362.404 0.424 20 0 FCADHL COC(=O)C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])CCO2 ZINC001606382576 1288280524 /nfs/dbraw/zinc/28/05/24/1288280524.db2.gz VTLSNYLFBFLDTK-VOZQYIJBSA-N -2 3 373.383 0.757 20 0 FCADHL COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1nnc2ccccc2c1[O-] ZINC001606384986 1288281536 /nfs/dbraw/zinc/28/15/36/1288281536.db2.gz HIQRSUPXUMMLLK-BXKDBHETSA-N -2 3 359.338 0.814 20 0 FCADHL Cn1ccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC001609479797 1289173207 /nfs/dbraw/zinc/17/32/07/1289173207.db2.gz OQMPZEYARATONN-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL Cn1ccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC001609479797 1289173212 /nfs/dbraw/zinc/17/32/12/1289173212.db2.gz OQMPZEYARATONN-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL O=C(NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1)c1ncccc1[O-] ZINC001606697727 1288452103 /nfs/dbraw/zinc/45/21/03/1288452103.db2.gz BXEAFJDWPOTCRD-GFCCVEGCSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NCCNc1ccc(-c2nnn[n-]2)nc1)c1ccc2oc(=O)nc-2[n-]1 ZINC001606781598 1288513643 /nfs/dbraw/zinc/51/36/43/1288513643.db2.gz KHIPVIWHIULDLF-UHFFFAOYSA-N -2 3 367.329 0.345 20 0 FCADHL O=C(NCCNc1ccc(-c2nn[n-]n2)nc1)c1ccc2oc(=O)nc-2[n-]1 ZINC001606781598 1288513648 /nfs/dbraw/zinc/51/36/48/1288513648.db2.gz KHIPVIWHIULDLF-UHFFFAOYSA-N -2 3 367.329 0.345 20 0 FCADHL O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ncc2ccccc2c1[O-] ZINC001606802490 1288525290 /nfs/dbraw/zinc/52/52/90/1288525290.db2.gz MIIFZOBPKUNHHN-UHFFFAOYSA-N -2 3 351.330 0.142 20 0 FCADHL COCCCN(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001606870337 1288543362 /nfs/dbraw/zinc/54/33/62/1288543362.db2.gz VSVJWEOUBMQMJE-UHFFFAOYSA-N -2 3 354.812 0.878 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)c1ncccc1[O-] ZINC001606882888 1288546653 /nfs/dbraw/zinc/54/66/53/1288546653.db2.gz WWLATNSUISHVEI-PHIMTYICSA-N -2 3 352.358 0.735 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)c1ncccc1[O-] ZINC001606882888 1288546655 /nfs/dbraw/zinc/54/66/55/1288546655.db2.gz WWLATNSUISHVEI-PHIMTYICSA-N -2 3 352.358 0.735 20 0 FCADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cnccc1-c1nnn[n-]1 ZINC001606915433 1288561604 /nfs/dbraw/zinc/56/16/04/1288561604.db2.gz MNEXBUZMFHBIRW-UHFFFAOYSA-N -2 3 350.298 0.857 20 0 FCADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cnccc1-c1nn[n-]n1 ZINC001606915433 1288561607 /nfs/dbraw/zinc/56/16/07/1288561607.db2.gz MNEXBUZMFHBIRW-UHFFFAOYSA-N -2 3 350.298 0.857 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)CCC1 ZINC001606959688 1288575688 /nfs/dbraw/zinc/57/56/88/1288575688.db2.gz DQYDYPCZGYURMI-UHFFFAOYSA-N -2 3 351.388 0.790 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)CCC1 ZINC001606959688 1288575689 /nfs/dbraw/zinc/57/56/89/1288575689.db2.gz DQYDYPCZGYURMI-UHFFFAOYSA-N -2 3 351.388 0.790 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C1CCC1 ZINC001606960707 1288576339 /nfs/dbraw/zinc/57/63/39/1288576339.db2.gz SZZOWTKRUCXZPD-NSHDSACASA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606961146 1288576564 /nfs/dbraw/zinc/57/65/64/1288576564.db2.gz XFPLZANHVAXJMV-GFCCVEGCSA-N -2 3 363.355 0.434 20 0 FCADHL O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606961146 1288576565 /nfs/dbraw/zinc/57/65/65/1288576565.db2.gz XFPLZANHVAXJMV-GFCCVEGCSA-N -2 3 363.355 0.434 20 0 FCADHL O=C([O-])C[C@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001606961843 1288577728 /nfs/dbraw/zinc/57/77/28/1288577728.db2.gz ZDVNNZCNJVPGIF-LLVKDONJSA-N -2 3 351.388 0.493 20 0 FCADHL CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001606999688 1288585099 /nfs/dbraw/zinc/58/50/99/1288585099.db2.gz CTXDPZSJGPKUAS-VHSXEESVSA-N -2 3 353.755 0.869 20 0 FCADHL O=C(c1cc(-c2nnn[n-]2)ccc1F)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001607002568 1288586033 /nfs/dbraw/zinc/58/60/33/1288586033.db2.gz ALIAIULVPTWIQI-UHFFFAOYSA-N -2 3 358.337 0.849 20 0 FCADHL O=C(c1cc(-c2nn[n-]n2)ccc1F)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001607002568 1288586037 /nfs/dbraw/zinc/58/60/37/1288586037.db2.gz ALIAIULVPTWIQI-UHFFFAOYSA-N -2 3 358.337 0.849 20 0 FCADHL O=c1cc(CN2CCCCCNC(=O)CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607046049 1288614694 /nfs/dbraw/zinc/61/46/94/1288614694.db2.gz UMCSFEJHTXKHJD-UHFFFAOYSA-N -2 3 371.405 0.107 20 0 FCADHL COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]CC(F)(F)C(=O)[O-] ZINC001607290990 1288695810 /nfs/dbraw/zinc/69/58/10/1288695810.db2.gz HGWNPDFSQSBNKO-UHFFFAOYSA-N -2 3 373.355 0.097 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](c2nccn2C)C(C)(C)CO)c1C(=O)[O-] ZINC001607940245 1288750204 /nfs/dbraw/zinc/75/02/04/1288750204.db2.gz NIECOAWFNWESOY-JTQLQIEISA-N -2 3 371.419 0.188 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2CCN(c3nccn3C)CC2)c1C(=O)[O-] ZINC001607939925 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SQFKGSMVXBHOQS-UHFFFAOYSA-N -2 3 369.378 0.928 20 0 FCADHL O=C([O-])C1CCC(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001609571779 1289233995 /nfs/dbraw/zinc/23/39/95/1289233995.db2.gz SQFKGSMVXBHOQS-UHFFFAOYSA-N -2 3 369.378 0.928 20 0 FCADHL O=S(=O)([N-]c1nnc([C@@H]2CCCO2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC001609596597 1289253578 /nfs/dbraw/zinc/25/35/78/1289253578.db2.gz WRFBIMWELLSOLR-JTQLQIEISA-N -2 3 363.359 0.902 20 0 FCADHL O=S(=O)([N-]c1nnc([C@@H]2CCCO2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC001609596597 1289253585 /nfs/dbraw/zinc/25/35/85/1289253585.db2.gz WRFBIMWELLSOLR-JTQLQIEISA-N -2 3 363.359 0.902 20 0 FCADHL O=c1ccc2cc(S(=O)(=O)[N-]c3ncccc3-c3nnn[n-]3)ccc2[nH]1 ZINC001609605145 1289259924 /nfs/dbraw/zinc/25/99/24/1289259924.db2.gz KXSKMFHYJUOVTE-UHFFFAOYSA-N -2 3 369.366 0.904 20 0 FCADHL O=c1ccc2cc(S(=O)(=O)[N-]c3ncccc3-c3nn[n-]n3)ccc2[nH]1 ZINC001609605145 1289259929 /nfs/dbraw/zinc/25/99/29/1289259929.db2.gz KXSKMFHYJUOVTE-UHFFFAOYSA-N -2 3 369.366 0.904 20 0 FCADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001609716154 1289286158 /nfs/dbraw/zinc/28/61/58/1289286158.db2.gz XPQVRWPNRXBYID-JQWIXIFHSA-N -2 3 367.368 0.697 20 0 FCADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])[C@@H]1n1cccn1 ZINC001610030401 1289351904 /nfs/dbraw/zinc/35/19/04/1289351904.db2.gz KICQQDGITRPZAJ-LNLATYFQSA-N -2 3 372.428 0.735 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(CC(=O)[O-])c2C)c(C)o1 ZINC001610147946 1289398091 /nfs/dbraw/zinc/39/80/91/1289398091.db2.gz ALOFMQWOHHEYIZ-UHFFFAOYSA-N -2 3 356.360 0.338 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001610194379 1289421204 /nfs/dbraw/zinc/42/12/04/1289421204.db2.gz QNMOTWUPAKYVFN-OTYXRUKQSA-N -2 3 359.404 0.817 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001610194377 1289421346 /nfs/dbraw/zinc/42/13/46/1289421346.db2.gz QNMOTWUPAKYVFN-LKFCYVNXSA-N -2 3 359.404 0.817 20 0 FCADHL 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CC(C)(C)OC(=O)NC1(C(=O)NCCCCP(=O)([O-])[O-])COC1 ZINC001181515989 851115478 /nfs/dbraw/zinc/11/54/78/851115478.db2.gz ADGNSLYQWPOLFW-UHFFFAOYSA-N -2 3 352.324 0.354 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1CN(Cc2ccccc2)CC1=O ZINC001181571805 851122054 /nfs/dbraw/zinc/12/20/54/851122054.db2.gz ROEYZFCVQCKUBP-AWEZNQCLSA-N -2 3 354.343 0.762 20 0 FCADHL Cc1cnn(C2COC2)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185572188 851363325 /nfs/dbraw/zinc/36/33/25/851363325.db2.gz BUUGCAIDZILSQB-UHFFFAOYSA-N -2 3 361.387 0.744 20 0 FCADHL Cc1cnn(C2COC2)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185572188 851363333 /nfs/dbraw/zinc/36/33/33/851363333.db2.gz BUUGCAIDZILSQB-UHFFFAOYSA-N -2 3 361.387 0.744 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(F)(F)F ZINC001186209774 851419113 /nfs/dbraw/zinc/41/91/13/851419113.db2.gz PNKOVMJSERUSKH-MRVPVSSYSA-N -2 3 359.253 0.906 20 0 FCADHL O=C(NCCCC[P@](=O)([O-])O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190628856 851933336 /nfs/dbraw/zinc/93/33/36/851933336.db2.gz CAHOACAPJCXKCB-UHFFFAOYSA-N -2 3 352.287 0.932 20 0 FCADHL O=C(NCCCC[P@@](=O)([O-])O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190628856 851933340 /nfs/dbraw/zinc/93/33/40/851933340.db2.gz CAHOACAPJCXKCB-UHFFFAOYSA-N -2 3 352.287 0.932 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])c1cnc(-c2ccccn2)[n-]c1=O ZINC001190628856 851933343 /nfs/dbraw/zinc/93/33/43/851933343.db2.gz CAHOACAPJCXKCB-UHFFFAOYSA-N -3 3 352.287 0.932 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191046181 852006633 /nfs/dbraw/zinc/00/66/33/852006633.db2.gz OBJBWARZWGUVQE-UHFFFAOYSA-N -2 3 374.806 0.403 20 0 FCADHL C[C@H]1[C@H](NC(=O)c2ccc(C(C)(C)C)cc2[O-])C(=O)N1S(=O)(=O)[O-] ZINC001192335621 852217918 /nfs/dbraw/zinc/21/79/18/852217918.db2.gz LHJLMXINKVXAQJ-UFBFGSQYSA-N -2 3 356.400 0.822 20 0 FCADHL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1nc(N(C)C)[n-]c(=O)c1N=O ZINC001193024828 852339665 /nfs/dbraw/zinc/33/96/65/852339665.db2.gz WGPTVSKBXRCMNU-UHFFFAOYSA-N -2 3 361.380 0.730 20 0 FCADHL CS(=O)(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195245026 852729404 /nfs/dbraw/zinc/72/94/04/852729404.db2.gz AXVDCOUNGLDKOS-KNVOCYPGSA-N -2 3 369.367 0.517 20 0 FCADHL CCOC(=O)CS(=O)(=O)NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001195991213 852863317 /nfs/dbraw/zinc/86/33/17/852863317.db2.gz BOFKQXKWSGZWJV-UHFFFAOYSA-N -2 3 363.328 0.142 20 0 FCADHL O=c1nc2nc(Br)[n-]c2c(OC2CCS(=O)(=O)CC2)[n-]1 ZINC001227595358 857167223 /nfs/dbraw/zinc/16/72/23/857167223.db2.gz XAEMEOFZPYNFCG-UHFFFAOYSA-N -2 3 363.193 0.777 20 0 FCADHL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=S)nc2cnccc21)[C@@H](O)C(=O)[O-] ZINC001227886341 857182134 /nfs/dbraw/zinc/18/21/34/857182134.db2.gz SWUAAHDZAAXULO-IMTBSYHQSA-N -3 3 353.312 0.129 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C(CCO)CCO)c(F)cc1Cl ZINC001238732088 857478045 /nfs/dbraw/zinc/47/80/45/857478045.db2.gz AKPLEDHLYJVMTK-UHFFFAOYSA-N -2 3 355.771 0.589 20 0 FCADHL CS(=O)(=O)c1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001259148757 858243913 /nfs/dbraw/zinc/24/39/13/858243913.db2.gz QHJWYLLVPSHMBU-UHFFFAOYSA-N -2 3 371.373 0.326 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)NC2)c(F)cc1Cl ZINC001259221971 858249825 /nfs/dbraw/zinc/24/98/25/858249825.db2.gz CKHKFJWHNJVVBY-ZCFIWIBFSA-N -2 3 350.755 0.734 20 0 FCADHL O=P([O-])([O-])CCCCNS(=O)(=O)c1cccc2nsnc21 ZINC001260390240 858365451 /nfs/dbraw/zinc/36/54/51/858365451.db2.gz MYPKZSVQLRWXQX-UHFFFAOYSA-N -2 3 351.346 0.928 20 0 FCADHL CC(=O)Nc1cccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001260816339 858427077 /nfs/dbraw/zinc/42/70/77/858427077.db2.gz CRMQZVNZPPXIEE-UHFFFAOYSA-N -2 3 350.333 0.881 20 0 FCADHL COc1ccc(S(=O)(=O)Nc2c([O-])[nH]c(=O)[n-]c2=S)cc1Cl ZINC001260975958 858435887 /nfs/dbraw/zinc/43/58/87/858435887.db2.gz CABWZUIPHONAEG-QMMMGPOBSA-N -2 3 363.804 0.162 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]Cc2nc(=O)o[n-]2)sc1Br ZINC001261200627 858494665 /nfs/dbraw/zinc/49/46/65/858494665.db2.gz FELAISFDKKYJSI-UHFFFAOYSA-N -2 3 354.207 0.974 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccn1 ZINC001324191090 869502442 /nfs/dbraw/zinc/50/24/42/869502442.db2.gz BCBAEBQNIZUBCQ-VIFPVBQESA-N -2 3 371.396 0.819 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2csnc2Cl)c(=O)[n-]1 ZINC001329418208 872013754 /nfs/dbraw/zinc/01/37/54/872013754.db2.gz WGYLLZURTARJCO-UHFFFAOYSA-N -2 3 362.820 0.957 20 0 FCADHL CC(C)(C)[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1nc(=O)o[n-]1 ZINC001573823459 949832421 /nfs/dbraw/zinc/83/24/21/949832421.db2.gz XFYHJKIUBQJKDG-GHMZBOCLSA-N -2 3 373.373 0.480 20 0 FCADHL CC(C)(C)[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1nc(=O)o[n-]1 ZINC001573823459 949832446 /nfs/dbraw/zinc/83/24/46/949832446.db2.gz XFYHJKIUBQJKDG-GHMZBOCLSA-N -2 3 373.373 0.480 20 0 FCADHL C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001574746719 950398061 /nfs/dbraw/zinc/39/80/61/950398061.db2.gz ONFGGHNCWYTWGX-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001574746719 950398079 /nfs/dbraw/zinc/39/80/79/950398079.db2.gz ONFGGHNCWYTWGX-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL C[C@H]1[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccccc1[O-] ZINC001575918474 950593458 /nfs/dbraw/zinc/59/34/58/950593458.db2.gz CHGTYLAGUKCREN-JQWIXIFHSA-N -2 3 366.385 0.499 20 0 FCADHL C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001575925112 950681829 /nfs/dbraw/zinc/68/18/29/950681829.db2.gz STGFISPUUYCZSQ-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001575925112 950681849 /nfs/dbraw/zinc/68/18/49/950681849.db2.gz STGFISPUUYCZSQ-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])Nc1nccnc1-c1nnn[n-]1 ZINC001574765023 950768299 /nfs/dbraw/zinc/76/82/99/950768299.db2.gz BWDZRODQKUKIQO-VIFPVBQESA-N -2 3 355.362 0.330 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])Nc1nccnc1-c1nn[n-]n1 ZINC001574765023 950768312 /nfs/dbraw/zinc/76/83/12/950768312.db2.gz BWDZRODQKUKIQO-VIFPVBQESA-N -2 3 355.362 0.330 20 0 FCADHL CCn1[n-]nnc1=NC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001570998317 951080647 /nfs/dbraw/zinc/08/06/47/951080647.db2.gz KADYXJIVDICGRE-UHFFFAOYSA-N -2 3 360.407 0.339 20 0 FCADHL CCn1[n-]nnc1=NC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001570998317 951080664 /nfs/dbraw/zinc/08/06/64/951080664.db2.gz KADYXJIVDICGRE-UHFFFAOYSA-N -2 3 360.407 0.339 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571020705 951397667 /nfs/dbraw/zinc/39/76/67/951397667.db2.gz UDRMZQMBFPPRMK-ZWNOBZJWSA-N -2 3 366.385 0.935 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571020705 951397678 /nfs/dbraw/zinc/39/76/78/951397678.db2.gz UDRMZQMBFPPRMK-ZWNOBZJWSA-N -2 3 366.385 0.935 20 0 FCADHL C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001571026792 951482402 /nfs/dbraw/zinc/48/24/02/951482402.db2.gz CWPWJKAKXXVTRS-NXEZZACHSA-N -2 3 367.373 0.012 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575066561 951596961 /nfs/dbraw/zinc/59/69/61/951596961.db2.gz GSDSIXVDKMHYQI-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL O=c1cc(CN2CCO[C@@]3(CCSC3)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571114448 952454186 /nfs/dbraw/zinc/45/41/86/952454186.db2.gz FQTNOTYTQQUPIG-HNNXBMFYSA-N -2 3 374.430 0.323 20 0 FCADHL O=C([O-])[C@H]1CC(C(=O)NCCCc2c[n-][nH]c2=O)=NN1c1ccccc1 ZINC001594757307 953475726 /nfs/dbraw/zinc/47/57/26/953475726.db2.gz TVMIYHUUAICTDH-BXUZGUMPSA-N -2 3 357.370 0.334 20 0 FCADHL COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593808270 954919128 /nfs/dbraw/zinc/91/91/28/954919128.db2.gz URFSLVWPSKZTFA-STQMWFEESA-N -2 3 362.448 0.882 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1ccccc1C(=O)[O-] ZINC001594502947 955339662 /nfs/dbraw/zinc/33/96/62/955339662.db2.gz PWMNMTZGVIVOJX-UHFFFAOYSA-N -2 3 367.383 0.584 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593866920 955587308 /nfs/dbraw/zinc/58/73/08/955587308.db2.gz SXONTNRXHSMEGQ-LLVKDONJSA-N -2 3 371.346 0.748 20 0 FCADHL C[C@](CNC(=O)Nc1n[n-]nc1C(=O)NC1CC1)(C(=O)[O-])c1ccccc1 ZINC001589057599 955710398 /nfs/dbraw/zinc/71/03/98/955710398.db2.gz VHVUJCMDPZMSKY-QGZVFWFLSA-N -2 3 372.385 0.861 20 0 FCADHL O=C([O-])[C@H]1CN(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)Cc2ccccc21 ZINC001594731250 957041443 /nfs/dbraw/zinc/04/14/43/957041443.db2.gz PLOIRDOMUUPHEG-LBPRGKRZSA-N -2 3 370.369 0.913 20 0 FCADHL C[S@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC001594162322 958910936 /nfs/dbraw/zinc/91/09/36/958910936.db2.gz OHGSZVRNHMVNIR-KRNBLGIKSA-N -2 3 350.393 0.980 20 0 FCADHL C[S@@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC001594162321 958911643 /nfs/dbraw/zinc/91/16/43/958911643.db2.gz OHGSZVRNHMVNIR-JYFUKTADSA-N -2 3 350.393 0.980 20 0 FCADHL CC(C)(CC(N)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000227053933 959916600 /nfs/dbraw/zinc/91/66/00/959916600.db2.gz NEKYTWNCDFXNAF-UHFFFAOYSA-N -2 3 369.193 0.673 20 0 FCADHL COC[C@H](O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000230133395 960128951 /nfs/dbraw/zinc/12/89/51/960128951.db2.gz HZGOPWKSVVOWQO-ZCFIWIBFSA-N -2 3 372.193 0.416 20 0 FCADHL O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC001574668751 962536751 /nfs/dbraw/zinc/53/67/51/962536751.db2.gz IPCHEOCOBCOYOQ-GFCCVEGCSA-N -2 3 359.375 0.564 20 0 FCADHL CC(C)[C@@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001588953780 962579555 /nfs/dbraw/zinc/57/95/55/962579555.db2.gz IIZKIOYGVHNVDM-WDEREUQCSA-N -2 3 350.437 0.736 20 0 FCADHL O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC001574692099 962643833 /nfs/dbraw/zinc/64/38/33/962643833.db2.gz MFPWEWJJIFTNPY-VIFPVBQESA-N -2 3 350.379 0.806 20 0 FCADHL CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000312810797 963595215 /nfs/dbraw/zinc/59/52/15/963595215.db2.gz RTKSKUYMYLKJNE-UHFFFAOYSA-N -2 3 350.343 0.856 20 0 FCADHL O=C([O-])c1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)[nH]n1 ZINC001605844780 972582654 /nfs/dbraw/zinc/58/26/54/972582654.db2.gz FUHRZIATIUOPEW-UHFFFAOYSA-N -2 3 368.346 0.940 20 0 FCADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)[O-] ZINC001603938150 974425040 /nfs/dbraw/zinc/42/50/40/974425040.db2.gz HGDUNJGNYWCIAH-XPUUQOCRSA-N -2 3 354.226 0.960 20 0 FCADHL CC(C)[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)N1CCCC1 ZINC001591905255 976302712 /nfs/dbraw/zinc/30/27/12/976302712.db2.gz GMUNAKMWCSSALM-VIFPVBQESA-N -2 3 361.445 0.767 20 0 FCADHL C[C@@H](CC(=O)NC[C@H](F)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001592253364 977486014 /nfs/dbraw/zinc/48/60/14/977486014.db2.gz VWXRPSBXWFMILJ-YUMQZZPRSA-N -2 3 367.786 0.331 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ncc(Br)s1 ZINC000714911178 977682716 /nfs/dbraw/zinc/68/27/16/977682716.db2.gz MTAGIHIQUVELLL-UHFFFAOYSA-N -2 3 367.206 0.805 20 0 FCADHL C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001592453997 978159888 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488670655 /nfs/dbraw/zinc/67/06/55/488670655.db2.gz YBZKVIKLHBQWSX-UHFFFAOYSA-N -2 3 350.343 0.714 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCN2CCCC2=O)c(F)cc1F ZINC000273777527 488670825 /nfs/dbraw/zinc/67/08/25/488670825.db2.gz SAAOZEPKXBUGKJ-UHFFFAOYSA-N -2 3 362.354 0.954 20 0 FCADHL COC(=O)Cc1nnc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)[n-]1 ZINC000265474775 488721422 /nfs/dbraw/zinc/72/14/22/488721422.db2.gz SXBYSVWTBRWTRB-UHFFFAOYSA-N -2 3 367.387 0.452 20 0 FCADHL COC(=O)Cc1n[n-]c(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)n1 ZINC000265474775 488721423 /nfs/dbraw/zinc/72/14/23/488721423.db2.gz SXBYSVWTBRWTRB-UHFFFAOYSA-N -2 3 367.387 0.452 20 0 FCADHL COC(=O)Cc1nc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)n[n-]1 ZINC000265474775 488721425 /nfs/dbraw/zinc/72/14/25/488721425.db2.gz SXBYSVWTBRWTRB-UHFFFAOYSA-N -2 3 367.387 0.452 20 0 FCADHL O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000274881453 488740224 /nfs/dbraw/zinc/74/02/24/488740224.db2.gz CZEGWSJMSOOUNL-QMMMGPOBSA-N -2 3 356.169 0.702 20 0 FCADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)C(=O)[O-] ZINC000274943955 488746627 /nfs/dbraw/zinc/74/66/27/488746627.db2.gz FMNJMWLITCFZFS-NSHDSACASA-N -2 3 361.347 0.713 20 0 FCADHL NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000275080040 488759330 /nfs/dbraw/zinc/75/93/30/488759330.db2.gz YKKOSRFJBBXCAB-WPRPVWTQSA-N -2 3 374.802 0.512 20 0 FCADHL COCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(=O)[O-] ZINC000275146377 488766386 /nfs/dbraw/zinc/76/63/86/488766386.db2.gz XTGMMMLCQUAUQB-JTQLQIEISA-N -2 3 365.791 0.895 20 0 FCADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000277870577 488791264 /nfs/dbraw/zinc/79/12/64/488791264.db2.gz AXKHGJWZGGPLCA-JTQLQIEISA-N -2 3 350.780 0.810 20 0 FCADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000570139905 491219027 /nfs/dbraw/zinc/21/90/27/491219027.db2.gz PBGCMYYSTPOETP-SSDOTTSWSA-N -2 3 356.278 0.395 20 0 FCADHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cc4nnn[n-]4)cc3)cc2[nH]1 ZINC000178217935 488860177 /nfs/dbraw/zinc/86/01/77/488860177.db2.gz YTXDWDRHWLKDCV-UHFFFAOYSA-N -2 3 371.382 0.761 20 0 FCADHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cc4nn[n-]n4)cc3)cc2[nH]1 ZINC000178217935 488860178 /nfs/dbraw/zinc/86/01/78/488860178.db2.gz YTXDWDRHWLKDCV-UHFFFAOYSA-N -2 3 371.382 0.761 20 0 FCADHL CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C(C)C)n[n-]1 ZINC000349535926 489310202 /nfs/dbraw/zinc/31/02/02/489310202.db2.gz KJTHKAIBYFNKPY-UHFFFAOYSA-N -2 3 371.510 0.328 20 0 FCADHL Cc1cc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000281687526 489097759 /nfs/dbraw/zinc/09/77/59/489097759.db2.gz VBMLFYUWILQKAB-QWRGUYRKSA-N -2 3 361.402 0.272 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC2CCOCC2)c(F)c1 ZINC000330529987 489112731 /nfs/dbraw/zinc/11/27/31/489112731.db2.gz RFIOOZRAHICQDK-UHFFFAOYSA-N -2 3 366.436 0.902 20 0 FCADHL CS(=O)(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c(Cl)s1 ZINC000282766830 489188789 /nfs/dbraw/zinc/18/87/89/489188789.db2.gz HKAQJBCFDRTETL-UHFFFAOYSA-N -2 3 359.834 0.701 20 0 FCADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1 ZINC000370142669 489320515 /nfs/dbraw/zinc/32/05/15/489320515.db2.gz ZFNJJVFFCLCBJO-CQSZACIVSA-N -2 3 363.363 0.373 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c(Cl)c1 ZINC000370312794 489343542 /nfs/dbraw/zinc/34/35/42/489343542.db2.gz CDTLERVEUGDNLT-ZDUSSCGKSA-N -2 3 363.775 0.649 20 0 FCADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2cnn3c2OCCC3)cc1 ZINC000563532362 491253010 /nfs/dbraw/zinc/25/30/10/491253010.db2.gz NMVDDVOUKMQIOG-UHFFFAOYSA-N -2 3 351.384 0.885 20 0 FCADHL Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000362962979 489408069 /nfs/dbraw/zinc/40/80/69/489408069.db2.gz XZGJMFWGSLEOON-UHFFFAOYSA-N -2 3 366.334 0.937 20 0 FCADHL CC(C)(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)S(C)(=O)=O ZINC000414391320 489497776 /nfs/dbraw/zinc/49/77/76/489497776.db2.gz KQGBCGULXRLZGY-UHFFFAOYSA-N -2 3 355.459 0.938 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-][C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s1 ZINC000417447972 489654951 /nfs/dbraw/zinc/65/49/51/489654951.db2.gz SHZZGSCCLACEFY-ONGXEEELSA-N -2 3 361.445 0.440 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417447810 489655070 /nfs/dbraw/zinc/65/50/70/489655070.db2.gz RQQKHBCXPZCNGY-WDEREUQCSA-N -2 3 359.404 0.280 20 0 FCADHL Cc1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469536273 489711323 /nfs/dbraw/zinc/71/13/23/489711323.db2.gz WEOYDXDPHRTCTJ-UHFFFAOYSA-N -3 3 356.346 0.457 20 0 FCADHL Cc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469536273 489711327 /nfs/dbraw/zinc/71/13/27/489711327.db2.gz WEOYDXDPHRTCTJ-UHFFFAOYSA-N -3 3 356.346 0.457 20 0 FCADHL C[C@]1(c2cccc(C(=O)NCc3ccc(C(=O)[O-])o3)c2)NC(=O)[N-]C1=O ZINC000431517308 489808428 /nfs/dbraw/zinc/80/84/28/489808428.db2.gz IAHXWCRULGLEHY-QGZVFWFLSA-N -2 3 357.322 0.962 20 0 FCADHL C[C@@]1(c2cccc(C(=O)NCc3ccc(C(=O)[O-])o3)c2)NC(=O)[N-]C1=O ZINC000431517307 489808448 /nfs/dbraw/zinc/80/84/48/489808448.db2.gz IAHXWCRULGLEHY-KRWDZBQOSA-N -2 3 357.322 0.962 20 0 FCADHL COC(=O)Cc1n[n-]c([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)n1 ZINC000460532027 489870843 /nfs/dbraw/zinc/87/08/43/489870843.db2.gz LNRPWXPCGYXICP-UHFFFAOYSA-N -2 3 354.388 0.946 20 0 FCADHL COCCOc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)OC)n[n-]2)cc1 ZINC000460530530 489871167 /nfs/dbraw/zinc/87/11/67/489871167.db2.gz HMUHOBFFCZELDZ-UHFFFAOYSA-N -2 3 370.387 0.346 20 0 FCADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccccc2OC(F)F)[n-]1 ZINC000460530050 489871261 /nfs/dbraw/zinc/87/12/61/489871261.db2.gz GPWOUTSZJOFVSV-UHFFFAOYSA-N -2 3 362.314 0.922 20 0 FCADHL C[C@H](O)CCC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000433353519 489878692 /nfs/dbraw/zinc/87/86/92/489878692.db2.gz LSSIKFCHCMGANO-VIFPVBQESA-N -2 3 354.425 0.637 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1F ZINC000564039412 491285156 /nfs/dbraw/zinc/28/51/56/491285156.db2.gz KZVGOXVDVIVWHD-PRHODGIISA-N -2 3 361.347 0.380 20 0 FCADHL COC(=O)CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000477158835 489947151 /nfs/dbraw/zinc/94/71/51/489947151.db2.gz GDNAFNCTCFKKFS-UHFFFAOYSA-N -2 3 354.381 0.039 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2CCSC2)c(F)c1 ZINC000462611241 489985113 /nfs/dbraw/zinc/98/51/13/489985113.db2.gz GFKMSXPCZFRJMS-VIFPVBQESA-N -2 3 354.450 0.981 20 0 FCADHL Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cccc(C)c1[O-] ZINC000436823156 490013464 /nfs/dbraw/zinc/01/34/64/490013464.db2.gz ZPLBPDPOIHDXOR-UHFFFAOYSA-N -2 3 371.440 0.879 20 0 FCADHL C[C@H](CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1nnn[n-]1 ZINC000478597962 490027513 /nfs/dbraw/zinc/02/75/13/490027513.db2.gz UCWGRZYBUPNPFN-SECBINFHSA-N -2 3 370.435 0.745 20 0 FCADHL C[C@H](CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1nn[n-]n1 ZINC000478597962 490027519 /nfs/dbraw/zinc/02/75/19/490027519.db2.gz UCWGRZYBUPNPFN-SECBINFHSA-N -2 3 370.435 0.745 20 0 FCADHL O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCO[C@H](c2nnn[n-]2)C1 ZINC000378535891 490082642 /nfs/dbraw/zinc/08/26/42/490082642.db2.gz BCFHFJHMEZGISK-LBPRGKRZSA-N -2 3 359.321 0.444 20 0 FCADHL O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCO[C@H](c2nn[n-]n2)C1 ZINC000378535891 490082647 /nfs/dbraw/zinc/08/26/47/490082647.db2.gz BCFHFJHMEZGISK-LBPRGKRZSA-N -2 3 359.321 0.444 20 0 FCADHL Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CCC[C@H]3C(=O)[O-])cc(C3CC3)nc21 ZINC000532693287 490098612 /nfs/dbraw/zinc/09/86/12/490098612.db2.gz HMCVVEYKGZKXCN-NSHDSACASA-N -2 3 358.354 0.601 20 0 FCADHL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccnn1C ZINC000402545109 490176814 /nfs/dbraw/zinc/17/68/14/490176814.db2.gz HKNMECKLUHBZCP-NSHDSACASA-N -2 3 371.371 0.521 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000533113898 490177818 /nfs/dbraw/zinc/17/78/18/490177818.db2.gz ZTNOEMZEWMDNOQ-ZJUUUORDSA-N -2 3 370.460 0.334 20 0 FCADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000447633286 490248147 /nfs/dbraw/zinc/24/81/47/490248147.db2.gz XFSJOAZVWAAWOF-UHFFFAOYSA-N -2 3 373.325 0.590 20 0 FCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547544190 490311465 /nfs/dbraw/zinc/31/14/65/490311465.db2.gz GDQJJDQHUGJQLR-UHFFFAOYSA-N -2 3 369.168 0.067 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000547552760 490315616 /nfs/dbraw/zinc/31/56/16/490315616.db2.gz KRDCFWVVVUPZMP-JTQLQIEISA-N -2 3 362.429 0.543 20 0 FCADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000547616298 490331187 /nfs/dbraw/zinc/33/11/87/490331187.db2.gz SMSNRGPWMFZLFO-WCBMZHEXSA-N -2 3 352.390 0.857 20 0 FCADHL Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)cn1C ZINC000547638670 490333387 /nfs/dbraw/zinc/33/33/87/490333387.db2.gz ARFQERCOQSNFBC-WCQYABFASA-N -2 3 357.432 0.809 20 0 FCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000547870859 490369030 /nfs/dbraw/zinc/36/90/30/490369030.db2.gz SITJAGSUTZZEHG-UHFFFAOYSA-N -2 3 369.168 0.067 20 0 FCADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CCC(=O)[O-])CN1CCOCC1 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ZINC000546753116 547044554 /nfs/dbraw/zinc/04/45/54/547044554.db2.gz MMBBSSOIVPZVEK-VIFPVBQESA-N -2 3 367.337 0.366 20 0 FCADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(F)(F)F ZINC000552000650 547183743 /nfs/dbraw/zinc/18/37/43/547183743.db2.gz KXECVDFGCNMOIJ-RKDXNWHRSA-N -2 3 371.337 0.776 20 0 FCADHL CC(C)n1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000735960729 598854968 /nfs/dbraw/zinc/85/49/68/598854968.db2.gz KPZCJPDQZPAJPX-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL CC(C)n1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000735960729 598854969 /nfs/dbraw/zinc/85/49/69/598854969.db2.gz KPZCJPDQZPAJPX-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCOC1 ZINC000737298949 598909479 /nfs/dbraw/zinc/90/94/79/598909479.db2.gz MYZFAHFIHZJRNR-SNVBAGLBSA-N -2 3 351.388 0.407 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCOC1 ZINC000737298949 598909480 /nfs/dbraw/zinc/90/94/80/598909480.db2.gz MYZFAHFIHZJRNR-SNVBAGLBSA-N -2 3 351.388 0.407 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000737225759 599029721 /nfs/dbraw/zinc/02/97/21/599029721.db2.gz IFJRYCLKMBLACE-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000737225759 599029722 /nfs/dbraw/zinc/02/97/22/599029722.db2.gz IFJRYCLKMBLACE-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1ccccn1 ZINC000737852795 599192194 /nfs/dbraw/zinc/19/21/94/599192194.db2.gz GWVAUOPRDAFLHU-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccccn1 ZINC000737852795 599192196 /nfs/dbraw/zinc/19/21/96/599192196.db2.gz GWVAUOPRDAFLHU-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cnn2ccccc12 ZINC000738140447 599219736 /nfs/dbraw/zinc/21/97/36/599219736.db2.gz VFJFPDZCSMIADT-UHFFFAOYSA-N -2 3 369.366 0.633 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cnn2ccccc12 ZINC000738140447 599219738 /nfs/dbraw/zinc/21/97/38/599219738.db2.gz VFJFPDZCSMIADT-UHFFFAOYSA-N -2 3 369.366 0.633 20 0 FCADHL O=C([O-])CNC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000821534829 597746190 /nfs/dbraw/zinc/74/61/90/597746190.db2.gz RCFSTBGHWISXFG-UHFFFAOYSA-N -2 3 359.367 0.814 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737822863 598417052 /nfs/dbraw/zinc/41/70/52/598417052.db2.gz POZARIUZMSSIAK-MRVPVSSYSA-N -2 3 371.806 0.894 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737822863 598417053 /nfs/dbraw/zinc/41/70/53/598417053.db2.gz POZARIUZMSSIAK-MRVPVSSYSA-N -2 3 371.806 0.894 20 0 FCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737765571 598439080 /nfs/dbraw/zinc/43/90/80/598439080.db2.gz USEMDUHJYSLDSZ-UHFFFAOYSA-N -2 3 351.373 0.223 20 0 FCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737765571 598439082 /nfs/dbraw/zinc/43/90/82/598439082.db2.gz USEMDUHJYSLDSZ-UHFFFAOYSA-N -2 3 351.373 0.223 20 0 FCADHL CSC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737179224 598565560 /nfs/dbraw/zinc/56/55/60/598565560.db2.gz JLEDHRDXNDRQKM-VIFPVBQESA-N -2 3 355.445 0.812 20 0 FCADHL CSC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737179224 598565562 /nfs/dbraw/zinc/56/55/62/598565562.db2.gz JLEDHRDXNDRQKM-VIFPVBQESA-N -2 3 355.445 0.812 20 0 FCADHL O=C([O-])[C@H]1CC12CCN(C(=O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000738211893 598612725 /nfs/dbraw/zinc/61/27/25/598612725.db2.gz UOFPYIBMOTWTFB-CYBMUJFWSA-N -2 3 357.370 0.959 20 0 FCADHL C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccc(-c2nnn[n-]2)c1 ZINC000820333992 599528496 /nfs/dbraw/zinc/52/84/96/599528496.db2.gz ILFZXTVZBLAUHD-SECBINFHSA-N -2 3 365.357 0.129 20 0 FCADHL C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccc(-c2nn[n-]n2)c1 ZINC000820333992 599528499 /nfs/dbraw/zinc/52/84/99/599528499.db2.gz ILFZXTVZBLAUHD-SECBINFHSA-N -2 3 365.357 0.129 20 0 FCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)CC(F)(F)F ZINC000823037406 599626546 /nfs/dbraw/zinc/62/65/46/599626546.db2.gz XNVIROCYFBWZHX-UHFFFAOYSA-N -2 3 365.293 0.254 20 0 FCADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822540947 599695369 /nfs/dbraw/zinc/69/53/69/599695369.db2.gz HVJCNWOGIWBTOT-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822540947 599695370 /nfs/dbraw/zinc/69/53/70/599695370.db2.gz HVJCNWOGIWBTOT-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL CNC(=O)[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)C ZINC000821631266 607390493 /nfs/dbraw/zinc/39/04/93/607390493.db2.gz DBPOYUNZFINXLP-JTQLQIEISA-N -2 3 374.373 0.194 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)ccc1O ZINC000739309617 599826556 /nfs/dbraw/zinc/82/65/56/599826556.db2.gz UYDSNAFROXFKKF-UHFFFAOYSA-N -2 3 366.351 0.822 20 0 FCADHL O=C([O-])C[C@H]1C(=O)NCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000739637031 600042982 /nfs/dbraw/zinc/04/29/82/600042982.db2.gz RYNQQEJDZASUKJ-JTQLQIEISA-N -2 3 356.338 0.857 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCCO1 ZINC000823284415 607442067 /nfs/dbraw/zinc/44/20/67/607442067.db2.gz GUPAQPMXTZFTMF-LBPRGKRZSA-N -2 3 351.388 0.382 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCO1 ZINC000823284415 607442069 /nfs/dbraw/zinc/44/20/69/607442069.db2.gz GUPAQPMXTZFTMF-LBPRGKRZSA-N -2 3 351.388 0.382 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC(=O)Nc2cccnc2)c1C(=O)[O-] ZINC000738338011 600424173 /nfs/dbraw/zinc/42/41/73/600424173.db2.gz OENRYLIRRFPJEA-UHFFFAOYSA-N -2 3 353.360 0.118 20 0 FCADHL CC(C)N(CCC(=O)[O-])C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000736464843 600596211 /nfs/dbraw/zinc/59/62/11/600596211.db2.gz XRECMPZJXXYUPO-UHFFFAOYSA-N -2 3 362.180 0.423 20 0 FCADHL O=C([O-])COc1cccc(CNC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC000739834390 600648596 /nfs/dbraw/zinc/64/85/96/600648596.db2.gz XOLYDYFATMMZLE-UHFFFAOYSA-N -2 3 358.350 0.902 20 0 FCADHL CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000826956497 601129339 /nfs/dbraw/zinc/12/93/39/601129339.db2.gz SLDDKAKGHGKLPH-LBPRGKRZSA-N -2 3 354.384 0.340 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)C(=O)NCc2ccco2)cc1C(=O)[O-] ZINC000833028247 601219339 /nfs/dbraw/zinc/21/93/39/601219339.db2.gz MJOGLOOQYVPZJF-QMMMGPOBSA-N -2 3 356.356 0.862 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)cc1C(=O)[O-] ZINC000833028181 601225844 /nfs/dbraw/zinc/22/58/44/601225844.db2.gz LBZXJZWCUWWTAJ-LBPRGKRZSA-N -2 3 372.399 0.344 20 0 FCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCSCC(=O)[O-])c1F ZINC000776614552 601234763 /nfs/dbraw/zinc/23/47/63/601234763.db2.gz GDOWWQAYHSPHKG-UHFFFAOYSA-N -2 3 369.367 0.848 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOC[C@H]2CCOC2)c1F ZINC000833293919 601236423 /nfs/dbraw/zinc/23/64/23/601236423.db2.gz HXEUUQQEGMCNKQ-VIFPVBQESA-N -2 3 365.354 0.994 20 0 FCADHL CC(C)CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824271613 607555812 /nfs/dbraw/zinc/55/58/12/607555812.db2.gz PVUIETGUOBQONA-JTQLQIEISA-N -2 3 368.419 0.237 20 0 FCADHL CC(C)CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824271613 607555813 /nfs/dbraw/zinc/55/58/13/607555813.db2.gz PVUIETGUOBQONA-JTQLQIEISA-N -2 3 368.419 0.237 20 0 FCADHL C[C@@H]1CN(CCC(=O)[O-])CCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000833629190 605193956 /nfs/dbraw/zinc/19/39/56/605193956.db2.gz RYHCKMVZPJPWJJ-GFCCVEGCSA-N -2 3 366.443 0.489 20 0 FCADHL Cc1nc(SCC(=O)NCCC(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000822453603 606101688 /nfs/dbraw/zinc/10/16/88/606101688.db2.gz MQTWQMRMPGANPA-UHFFFAOYSA-N -2 3 350.404 0.870 20 0 FCADHL Cc1nc(SCC(=O)NCCC(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000822453603 606101691 /nfs/dbraw/zinc/10/16/91/606101691.db2.gz MQTWQMRMPGANPA-UHFFFAOYSA-N -2 3 350.404 0.870 20 0 FCADHL CSCC[C@@H](NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000821962414 606178477 /nfs/dbraw/zinc/17/84/77/606178477.db2.gz POWZCZHXXWCTGN-LLVKDONJSA-N -2 3 371.444 0.492 20 0 FCADHL CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000819845890 606405421 /nfs/dbraw/zinc/40/54/21/606405421.db2.gz XSUUWMFVMXCCIL-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000819845890 606405422 /nfs/dbraw/zinc/40/54/22/606405422.db2.gz XSUUWMFVMXCCIL-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC000823387562 606431227 /nfs/dbraw/zinc/43/12/27/606431227.db2.gz OZDQSBHGIKHPKX-UHFFFAOYSA-N -2 3 364.318 0.900 20 0 FCADHL O=S(=O)([N-]c1nnc[nH]1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000823589102 606637708 /nfs/dbraw/zinc/63/77/08/606637708.db2.gz NHLPNLPDTYRNRM-UHFFFAOYSA-N -2 3 371.180 0.548 20 0 FCADHL O=S(=O)([N-]c1nnc[nH]1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000823589102 606637709 /nfs/dbraw/zinc/63/77/09/606637709.db2.gz NHLPNLPDTYRNRM-UHFFFAOYSA-N -2 3 371.180 0.548 20 0 FCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)C1CCCC1 ZINC000823043638 606653976 /nfs/dbraw/zinc/65/39/76/606653976.db2.gz DLFQTVLJPZNBPR-UHFFFAOYSA-N -2 3 351.388 0.634 20 0 FCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)C1CCCC1 ZINC000823043638 606653977 /nfs/dbraw/zinc/65/39/77/606653977.db2.gz DLFQTVLJPZNBPR-UHFFFAOYSA-N -2 3 351.388 0.634 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)n1 ZINC000822623191 606709907 /nfs/dbraw/zinc/70/99/07/606709907.db2.gz QXRIDVVNSFTXCP-UHFFFAOYSA-N -2 3 359.293 0.818 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1CCSC1 ZINC000823284397 606800663 /nfs/dbraw/zinc/80/06/63/606800663.db2.gz GLYRFYIARGSMLV-VIFPVBQESA-N -2 3 353.429 0.566 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H]1CCSC1 ZINC000823284397 606800664 /nfs/dbraw/zinc/80/06/64/606800664.db2.gz GLYRFYIARGSMLV-VIFPVBQESA-N -2 3 353.429 0.566 20 0 FCADHL C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820306727 606886349 /nfs/dbraw/zinc/88/63/49/606886349.db2.gz DDIHGCFBSBJHRW-QMMMGPOBSA-N -2 3 369.357 0.708 20 0 FCADHL Cc1nonc1C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822530480 606894253 /nfs/dbraw/zinc/89/42/53/606894253.db2.gz CYAMQZWRQMXYJU-UHFFFAOYSA-N -2 3 357.302 0.315 20 0 FCADHL Cc1nonc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822530480 606894255 /nfs/dbraw/zinc/89/42/55/606894255.db2.gz CYAMQZWRQMXYJU-UHFFFAOYSA-N -2 3 357.302 0.315 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cs1 ZINC000821667911 607025821 /nfs/dbraw/zinc/02/58/21/607025821.db2.gz GLIIRUKAYBNPOT-UHFFFAOYSA-N -2 3 372.413 0.972 20 0 FCADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCCO2 ZINC000823589172 607027001 /nfs/dbraw/zinc/02/70/01/607027001.db2.gz RDANAKGOXQXWLG-UHFFFAOYSA-N -2 3 366.384 0.895 20 0 FCADHL Cc1nc(SCC(=O)N[C@H](C)C(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000822454544 607111078 /nfs/dbraw/zinc/11/10/78/607111078.db2.gz YAOZPKUOZVRRPB-SECBINFHSA-N -2 3 350.404 0.868 20 0 FCADHL Cc1nc(SCC(=O)N[C@H](C)C(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000822454544 607111079 /nfs/dbraw/zinc/11/10/79/607111079.db2.gz YAOZPKUOZVRRPB-SECBINFHSA-N -2 3 350.404 0.868 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000822622908 607172435 /nfs/dbraw/zinc/17/24/35/607172435.db2.gz JXWIYGBMCXBVQX-UHFFFAOYSA-N -3 3 367.322 0.238 20 0 FCADHL CC(C)C[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000820056159 607206357 /nfs/dbraw/zinc/20/63/57/607206357.db2.gz NDZORXINGHNYQK-LBPRGKRZSA-N -2 3 353.404 0.785 20 0 FCADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cccc2nonc21 ZINC000826492926 607816380 /nfs/dbraw/zinc/81/63/80/607816380.db2.gz LEVDXQWMMGMOJJ-UHFFFAOYSA-N -2 3 350.345 0.660 20 0 FCADHL CS[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826225262 607944840 /nfs/dbraw/zinc/94/48/40/607944840.db2.gz XFZPGJUZIZEIIM-VIFPVBQESA-N -2 3 355.445 0.954 20 0 FCADHL CS[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826225262 607944841 /nfs/dbraw/zinc/94/48/41/607944841.db2.gz XFZPGJUZIZEIIM-VIFPVBQESA-N -2 3 355.445 0.954 20 0 FCADHL O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826403191 607985715 /nfs/dbraw/zinc/98/57/15/607985715.db2.gz LWVGXYMDOPPMII-PLNGDYQASA-N -2 3 374.357 0.919 20 0 FCADHL O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826403191 607985716 /nfs/dbraw/zinc/98/57/16/607985716.db2.gz LWVGXYMDOPPMII-PLNGDYQASA-N -2 3 374.357 0.919 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826408948 607987972 /nfs/dbraw/zinc/98/79/72/607987972.db2.gz AYCAUTPNICDHKM-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826408948 607987973 /nfs/dbraw/zinc/98/79/73/607987973.db2.gz AYCAUTPNICDHKM-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)c1-c1nnn[n-]1 ZINC000826303106 608010746 /nfs/dbraw/zinc/01/07/46/608010746.db2.gz ZZANJDYXMKHKKU-UHFFFAOYSA-N -2 3 351.388 0.851 20 0 FCADHL Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)c1-c1nn[n-]n1 ZINC000826303106 608010747 /nfs/dbraw/zinc/01/07/47/608010747.db2.gz ZZANJDYXMKHKKU-UHFFFAOYSA-N -2 3 351.388 0.851 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000826461127 608010901 /nfs/dbraw/zinc/01/09/01/608010901.db2.gz HDSVSRIQTZIFLR-UHFFFAOYSA-N -2 3 373.341 0.630 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000826461127 608010902 /nfs/dbraw/zinc/01/09/02/608010902.db2.gz HDSVSRIQTZIFLR-UHFFFAOYSA-N -2 3 373.341 0.630 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826461165 608010970 /nfs/dbraw/zinc/01/09/70/608010970.db2.gz IWGVHNQQRCJMAW-ZETCQYMHSA-N -2 3 357.779 0.615 20 0 FCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825074979 608144581 /nfs/dbraw/zinc/14/45/81/608144581.db2.gz MERDZRPPBCFPAP-NXEZZACHSA-N -2 3 353.404 0.879 20 0 FCADHL COc1cc(OC)cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826181458 608307201 /nfs/dbraw/zinc/30/72/01/608307201.db2.gz ZTRQFEDIVXCVPZ-UHFFFAOYSA-N -2 3 351.348 0.408 20 0 FCADHL CC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184373 609139405 /nfs/dbraw/zinc/13/94/05/609139405.db2.gz SPACBHFEXIVZLM-VXGBXAGGSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184373 609139407 /nfs/dbraw/zinc/13/94/07/609139407.db2.gz SPACBHFEXIVZLM-VXGBXAGGSA-N -2 3 365.415 0.877 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826449740 609143574 /nfs/dbraw/zinc/14/35/74/609143574.db2.gz IAEUITSBIPJQKY-JHJVBQTASA-N -2 3 363.399 0.238 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826449740 609143576 /nfs/dbraw/zinc/14/35/76/609143576.db2.gz IAEUITSBIPJQKY-JHJVBQTASA-N -2 3 363.399 0.238 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000826329861 609255343 /nfs/dbraw/zinc/25/53/43/609255343.db2.gz VLEHBHQRLUHBNY-UHFFFAOYSA-N -2 3 359.371 0.392 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000826329861 609255344 /nfs/dbraw/zinc/25/53/44/609255344.db2.gz VLEHBHQRLUHBNY-UHFFFAOYSA-N -2 3 359.371 0.392 20 0 FCADHL CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825341759 609257238 /nfs/dbraw/zinc/25/72/38/609257238.db2.gz JUUPMARNWYDSPP-CYBMUJFWSA-N -2 3 364.431 0.692 20 0 FCADHL COC[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)OC ZINC000826149892 609318547 /nfs/dbraw/zinc/31/85/47/609318547.db2.gz RDRGYKZZVCTORM-QMMMGPOBSA-N -2 3 363.346 0.085 20 0 FCADHL CCN(CC(=O)[O-])C(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000261959192 664962315 /nfs/dbraw/zinc/96/23/15/664962315.db2.gz ROCOROYIZAHWMS-UHFFFAOYSA-N -2 3 373.431 0.816 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000263330115 665251567 /nfs/dbraw/zinc/25/15/67/665251567.db2.gz LJDRPWAIJNGRHW-JGVFFNPUSA-N -2 3 374.191 0.281 20 0 FCADHL CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000909201918 666227968 /nfs/dbraw/zinc/22/79/68/666227968.db2.gz RBYCAYRBABMDNE-UHFFFAOYSA-N -2 3 352.362 0.855 20 0 FCADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000064375401 666457039 /nfs/dbraw/zinc/45/70/39/666457039.db2.gz MCCNGQIFZFHLKC-UHFFFAOYSA-N -3 3 359.404 0.615 20 0 FCADHL CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000057118566 666554513 /nfs/dbraw/zinc/55/45/13/666554513.db2.gz SIPZMHSYDIEZKD-QMMMGPOBSA-N -3 3 358.372 0.512 20 0 FCADHL COCCn1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000737015193 667513860 /nfs/dbraw/zinc/51/38/60/667513860.db2.gz AZYNFLZJLYXBFV-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL CSc1nc(C)c(CCC(=O)N2CCOC[C@H]2c2nnn[n-]2)c(=O)[n-]1 ZINC000737189499 667760791 /nfs/dbraw/zinc/76/07/91/667760791.db2.gz NGUMNDBILVQGON-JTQLQIEISA-N -2 3 365.419 0.258 20 0 FCADHL CSc1nc(C)c(CCC(=O)N2CCOC[C@H]2c2nn[n-]n2)c(=O)[n-]1 ZINC000737189499 667760793 /nfs/dbraw/zinc/76/07/93/667760793.db2.gz NGUMNDBILVQGON-JTQLQIEISA-N -2 3 365.419 0.258 20 0 FCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC1CCOCC1)C(=O)[O-] ZINC000776603155 668278035 /nfs/dbraw/zinc/27/80/35/668278035.db2.gz ULTDCTOXVBCPDD-SNVBAGLBSA-N -2 3 365.839 0.930 20 0 FCADHL O=C(C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]CC(=O)C1CC1)C1CC1 ZINC000783599995 668622492 /nfs/dbraw/zinc/62/24/92/668622492.db2.gz TVODMVQNHPHZRE-UHFFFAOYSA-N -2 3 352.284 0.448 20 0 FCADHL CC(C)C[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824236092 669378906 /nfs/dbraw/zinc/37/89/06/669378906.db2.gz MLJRFXWFUALWQV-GFCCVEGCSA-N -2 3 353.404 0.785 20 0 FCADHL CC(C)C[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824236092 669378912 /nfs/dbraw/zinc/37/89/12/669378912.db2.gz MLJRFXWFUALWQV-GFCCVEGCSA-N -2 3 353.404 0.785 20 0 FCADHL COCc1ccccc1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826165455 669486094 /nfs/dbraw/zinc/48/60/94/669486094.db2.gz VKWJJIQEVKUDKG-UHFFFAOYSA-N -2 3 362.371 0.460 20 0 FCADHL COCc1ccccc1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826165455 669486097 /nfs/dbraw/zinc/48/60/97/669486097.db2.gz VKWJJIQEVKUDKG-UHFFFAOYSA-N -2 3 362.371 0.460 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)sc1C ZINC000826272299 669488807 /nfs/dbraw/zinc/48/88/07/669488807.db2.gz CNKOTVZWLJXYMN-UHFFFAOYSA-N -2 3 352.401 0.992 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)sc1C ZINC000826272299 669488811 /nfs/dbraw/zinc/48/88/11/669488811.db2.gz CNKOTVZWLJXYMN-UHFFFAOYSA-N -2 3 352.401 0.992 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1F ZINC000843336490 670799733 /nfs/dbraw/zinc/79/97/33/670799733.db2.gz ZZFOOCMIUWGAJC-KOLCDFICSA-N -2 3 358.391 0.917 20 0 FCADHL C[C@](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)(CC(=O)[O-])C(=O)[O-] ZINC000844789323 670943188 /nfs/dbraw/zinc/94/31/88/670943188.db2.gz LAUUEUGSTZUHIF-LLVKDONJSA-N -3 3 354.743 0.718 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(CC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000844791672 670944028 /nfs/dbraw/zinc/94/40/28/670944028.db2.gz KSAPOTQRYFPONH-ZETCQYMHSA-N -2 3 365.770 0.086 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@H](CC1CC1)C(=O)[O-] ZINC000844824391 670947764 /nfs/dbraw/zinc/94/77/64/670947764.db2.gz FFHDCHTZAGSROB-SNVBAGLBSA-N -2 3 359.404 0.674 20 0 FCADHL O=C(c1cnc[n-]c1=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001021970147 1170349790 /nfs/dbraw/zinc/34/97/90/1170349790.db2.gz ISUANWOOMQKSJQ-CMPLNLGQSA-N -2 3 355.354 0.270 20 0 FCADHL COC(=O)CCCO[N-]C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC000811562629 1202969481 /nfs/dbraw/zinc/96/94/81/1202969481.db2.gz HZEONYWPNRFZEV-UHFFFAOYSA-N -2 3 361.358 0.491 20 0 FCADHL O=C1COc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)c2N1 ZINC001185597639 1206482816 /nfs/dbraw/zinc/48/28/16/1206482816.db2.gz GBUCCTUODRFDKS-UHFFFAOYSA-N -2 3 372.366 0.998 20 0 FCADHL CCOC(=O)c1cc(C(=O)OCC)c(OC(=O)[C@@H](O)CC(=O)[O-])cc1[O-] ZINC001225841096 1225825998 /nfs/dbraw/zinc/82/59/98/1225825998.db2.gz RJZLEKUFLUYMFM-NSHDSACASA-N -2 3 370.310 0.487 20 0 FCADHL CCOC(=O)c1c(C)cc([O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227213192 1225866487 /nfs/dbraw/zinc/86/64/87/1225866487.db2.gz SPVGRGYBQVSMRT-TVQRCGJNSA-N -3 3 370.310 0.319 20 0 FCADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc3cccnc3c2[O-])c1 ZINC001153858500 1222992630 /nfs/dbraw/zinc/99/26/30/1222992630.db2.gz XRTSQQAPKOSXOH-UHFFFAOYSA-N -2 3 374.378 0.789 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C)c1[O-] ZINC000987598607 1249107461 /nfs/dbraw/zinc/10/74/61/1249107461.db2.gz HAHULDOPXSUPAE-ZJUUUORDSA-N -2 3 360.374 0.261 20 0 FCADHL O=C(c1cccnc1F)N1CCC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233939725 1259555234 /nfs/dbraw/zinc/55/52/34/1259555234.db2.gz NIRJDEFXXMWXMB-VIFPVBQESA-N -2 3 358.333 0.864 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cnccn1 ZINC001580308316 1278113528 /nfs/dbraw/zinc/11/35/28/1278113528.db2.gz IHPGAOGOZHMTHD-SSDOTTSWSA-N -2 3 367.341 0.974 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001580385949 1278206506 /nfs/dbraw/zinc/20/65/06/1278206506.db2.gz JWKMCYIEHJDXOD-PWSUYJOCSA-N -2 3 366.385 0.760 20 0 FCADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549284292 1267885500 /nfs/dbraw/zinc/88/55/00/1267885500.db2.gz VMEMQUBRPQZLDE-GTNSWQLSSA-N -2 3 350.419 0.111 20 0 FCADHL Cc1c(-c2nnn[n-]2)c(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)nn1C ZINC001580524100 1278449035 /nfs/dbraw/zinc/44/90/35/1278449035.db2.gz SPUJBNCBKDOBOJ-UHFFFAOYSA-N -2 3 359.394 0.236 20 0 FCADHL Cc1c(-c2nn[n-]n2)c(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)nn1C ZINC001580524100 1278449048 /nfs/dbraw/zinc/44/90/48/1278449048.db2.gz SPUJBNCBKDOBOJ-UHFFFAOYSA-N -2 3 359.394 0.236 20 0 FCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1nc(N2CCCC2)ncc1Cl ZINC001557702757 1268969584 /nfs/dbraw/zinc/96/95/84/1268969584.db2.gz FTUGKNUIRMLHMB-UHFFFAOYSA-N -2 3 350.766 0.861 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580628296 1278578492 /nfs/dbraw/zinc/57/84/92/1278578492.db2.gz FTZOHJPZMLVPIV-SNVBAGLBSA-N -2 3 369.389 0.320 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580628296 1278578499 /nfs/dbraw/zinc/57/84/99/1278578499.db2.gz FTZOHJPZMLVPIV-SNVBAGLBSA-N -2 3 369.389 0.320 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001573919636 1270929632 /nfs/dbraw/zinc/92/96/32/1270929632.db2.gz VDUUFLBDFYXXPW-UHFFFAOYSA-N -2 3 357.296 0.335 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001573919636 1270929638 /nfs/dbraw/zinc/92/96/38/1270929638.db2.gz VDUUFLBDFYXXPW-UHFFFAOYSA-N -2 3 357.296 0.335 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)OCc2ccc(-c3nnn[n-]3)cn2)cc1=O ZINC001574242217 1271113929 /nfs/dbraw/zinc/11/39/29/1271113929.db2.gz GMUYICLDZHNJCR-UHFFFAOYSA-N -2 3 357.374 0.693 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)OCc2ccc(-c3nn[n-]n3)cn2)cc1=O ZINC001574242217 1271113933 /nfs/dbraw/zinc/11/39/33/1271113933.db2.gz GMUYICLDZHNJCR-UHFFFAOYSA-N -2 3 357.374 0.693 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574649959 1271448164 /nfs/dbraw/zinc/44/81/64/1271448164.db2.gz AUAUPZLFSOUKMX-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574649959 1271448167 /nfs/dbraw/zinc/44/81/67/1271448167.db2.gz AUAUPZLFSOUKMX-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001580662484 1278668365 /nfs/dbraw/zinc/66/83/65/1278668365.db2.gz STTQVYFWDDHUHE-SNVBAGLBSA-N -2 3 367.373 0.074 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001580662484 1278668385 /nfs/dbraw/zinc/66/83/85/1278668385.db2.gz STTQVYFWDDHUHE-SNVBAGLBSA-N -2 3 367.373 0.074 20 0 FCADHL CC1(C)CC[C@H](CO)N(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001575669234 1272279007 /nfs/dbraw/zinc/27/90/07/1272279007.db2.gz USSCOLLQCMVNCF-LLVKDONJSA-N -2 3 358.406 0.598 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001580691362 1278731670 /nfs/dbraw/zinc/73/16/70/1278731670.db2.gz IKUNJENJEIOSIE-SNVBAGLBSA-N -2 3 369.389 0.638 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001580691362 1278731675 /nfs/dbraw/zinc/73/16/75/1278731675.db2.gz IKUNJENJEIOSIE-SNVBAGLBSA-N -2 3 369.389 0.638 20 0 FCADHL C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1ncccc1[O-] ZINC001576062798 1272808984 /nfs/dbraw/zinc/80/89/84/1272808984.db2.gz SLQTVERHOQFPNS-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1ncccc1[O-] ZINC001576062798 1272808992 /nfs/dbraw/zinc/80/89/92/1272808992.db2.gz SLQTVERHOQFPNS-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001580741817 1278848963 /nfs/dbraw/zinc/84/89/63/1278848963.db2.gz SEMCVNYWCGQQTG-SECBINFHSA-N -2 3 369.389 0.686 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001580741817 1278848975 /nfs/dbraw/zinc/84/89/75/1278848975.db2.gz SEMCVNYWCGQQTG-SECBINFHSA-N -2 3 369.389 0.686 20 0 FCADHL CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccccc1-c1nnn[n-]1 ZINC001578927884 1276467756 /nfs/dbraw/zinc/46/77/56/1276467756.db2.gz YFRKKXVRPJNDIF-UHFFFAOYSA-N -2 3 373.398 0.910 20 0 FCADHL CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccccc1-c1nn[n-]n1 ZINC001578927884 1276467813 /nfs/dbraw/zinc/46/78/13/1276467813.db2.gz YFRKKXVRPJNDIF-UHFFFAOYSA-N -2 3 373.398 0.910 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001578948900 1276492446 /nfs/dbraw/zinc/49/24/46/1276492446.db2.gz ADPAMYXPWWSJAW-LBPRGKRZSA-N -2 3 366.385 0.713 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001578950355 1276494986 /nfs/dbraw/zinc/49/49/86/1276494986.db2.gz WVBFKIPKGGGSSM-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001578950355 1276494990 /nfs/dbraw/zinc/49/49/90/1276494990.db2.gz WVBFKIPKGGGSSM-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001579236295 1277043113 /nfs/dbraw/zinc/04/31/13/1277043113.db2.gz QWWOAJJJXYGYOQ-UHFFFAOYSA-N -2 3 372.389 0.351 20 0 FCADHL C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001603140180 1287312870 /nfs/dbraw/zinc/31/28/70/1287312870.db2.gz NJZRBBUMXZNKQT-SNVBAGLBSA-N -2 3 351.407 0.401 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581053006 1279295713 /nfs/dbraw/zinc/29/57/13/1279295713.db2.gz ARUQJGDJHDIOHC-VIFPVBQESA-N -2 3 371.405 0.562 20 0 FCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001603319403 1287354113 /nfs/dbraw/zinc/35/41/13/1287354113.db2.gz UPKGNOSJTQDICI-UHFFFAOYSA-N -2 3 364.431 0.600 20 0 FCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001603319403 1287354117 /nfs/dbraw/zinc/35/41/17/1287354117.db2.gz UPKGNOSJTQDICI-UHFFFAOYSA-N -2 3 364.431 0.600 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581390643 1279820511 /nfs/dbraw/zinc/82/05/11/1279820511.db2.gz ALEKSMNHIFPRHF-JGVFFNPUSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)c1[O-] ZINC001581390638 1279820688 /nfs/dbraw/zinc/82/06/88/1279820688.db2.gz ALCFGBOUHFPHOD-BQBZGAKWSA-N -2 3 358.366 0.013 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)C)c1[O-] ZINC001581391450 1279822395 /nfs/dbraw/zinc/82/23/95/1279822395.db2.gz JAHCGZSTWFAAJT-SECBINFHSA-N -2 3 372.393 0.260 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)C)c1[O-] ZINC001581391450 1279822401 /nfs/dbraw/zinc/82/24/01/1279822401.db2.gz JAHCGZSTWFAAJT-SECBINFHSA-N -2 3 372.393 0.260 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001581391746 1279824217 /nfs/dbraw/zinc/82/42/17/1279824217.db2.gz NXIPQUXMAHRFRY-KYZUINATSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581392141 1279825287 /nfs/dbraw/zinc/82/52/87/1279825287.db2.gz XODGBTOYNCEKJA-SNVBAGLBSA-N -2 3 369.389 0.398 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581392655 1279829982 /nfs/dbraw/zinc/82/99/82/1279829982.db2.gz OAIZQUMCCGKTBT-DTORHVGOSA-N -2 3 355.362 0.372 20 0 FCADHL Cc1n[nH]c(C)c1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001581395720 1279838603 /nfs/dbraw/zinc/83/86/03/1279838603.db2.gz IYFFTQZFGWVJKG-UHFFFAOYSA-N -2 3 369.357 0.963 20 0 FCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001581909030 1280707615 /nfs/dbraw/zinc/70/76/15/1280707615.db2.gz MXQDYLMUCIOKCR-UHFFFAOYSA-N -2 3 373.283 0.503 20 0 FCADHL O=C(CNC(=O)c1ccc(F)c(F)c1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001582109345 1281061774 /nfs/dbraw/zinc/06/17/74/1281061774.db2.gz YXDNTYAULFATFQ-UHFFFAOYSA-N -2 3 374.307 0.985 20 0 FCADHL O=C(CNC(=O)c1ccc(F)c(F)c1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001582109345 1281061777 /nfs/dbraw/zinc/06/17/77/1281061777.db2.gz YXDNTYAULFATFQ-UHFFFAOYSA-N -2 3 374.307 0.985 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001582133688 1281090787 /nfs/dbraw/zinc/09/07/87/1281090787.db2.gz QUWYTXYASXHRIQ-JTQLQIEISA-N -2 3 358.387 0.066 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001582133688 1281090795 /nfs/dbraw/zinc/09/07/95/1281090795.db2.gz QUWYTXYASXHRIQ-JTQLQIEISA-N -2 3 358.387 0.066 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001582185877 1281165515 /nfs/dbraw/zinc/16/55/15/1281165515.db2.gz WXQCAXJGAAEUMT-UHFFFAOYSA-N -2 3 355.293 0.029 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001603751341 1287487934 /nfs/dbraw/zinc/48/79/34/1287487934.db2.gz FBFZAZFXBSGMQS-AWEZNQCLSA-N -2 3 351.388 0.742 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001603751341 1287487938 /nfs/dbraw/zinc/48/79/38/1287487938.db2.gz FBFZAZFXBSGMQS-AWEZNQCLSA-N -2 3 351.388 0.742 20 0 FCADHL O=C(NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ncccc1[O-] ZINC001582369337 1281424869 /nfs/dbraw/zinc/42/48/69/1281424869.db2.gz YFMJPLWNXKBSDE-JTQLQIEISA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ncccc1[O-] ZINC001582369337 1281424873 /nfs/dbraw/zinc/42/48/73/1281424873.db2.gz YFMJPLWNXKBSDE-JTQLQIEISA-N -2 3 367.373 0.378 20 0 FCADHL CC(C)O[C@]1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCOC1 ZINC001603913806 1287529706 /nfs/dbraw/zinc/52/97/06/1287529706.db2.gz ROORHZBYMSWTTJ-LBPRGKRZSA-N -2 3 350.418 0.704 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001582751648 1281975703 /nfs/dbraw/zinc/97/57/03/1281975703.db2.gz QJXLXJHEXJHGSK-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001582751648 1281975714 /nfs/dbraw/zinc/97/57/14/1281975714.db2.gz QJXLXJHEXJHGSK-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL O=S(=O)([N-]Cc1cnccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582797246 1282018615 /nfs/dbraw/zinc/01/86/15/1282018615.db2.gz KLBCTOCAGIGFLF-UHFFFAOYSA-N -2 3 353.314 0.413 20 0 FCADHL O=c1cc(CN2CCOC[C@@H]2CC(F)F)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814659 1282036714 /nfs/dbraw/zinc/03/67/14/1282036714.db2.gz PHOAOZVIXVHZFA-VIFPVBQESA-N -2 3 366.332 0.471 20 0 FCADHL O=c1cc(CN2CCS[C@@H]3COCC[C@@H]32)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814784 1282036752 /nfs/dbraw/zinc/03/67/52/1282036752.db2.gz SFGDRNLXFNYGTN-NWDGAFQWSA-N -2 3 374.430 0.321 20 0 FCADHL CCC(C)(C)[C@H](NS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603982653 1287547867 /nfs/dbraw/zinc/54/78/67/1287547867.db2.gz GAXWOGNNTIGXQV-LLVKDONJSA-N -2 3 368.419 0.738 20 0 FCADHL CCC(C)(C)[C@H](NS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603982653 1287547873 /nfs/dbraw/zinc/54/78/73/1287547873.db2.gz GAXWOGNNTIGXQV-LLVKDONJSA-N -2 3 368.419 0.738 20 0 FCADHL CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC001604096003 1287568876 /nfs/dbraw/zinc/56/88/76/1287568876.db2.gz FONMOBKGOOSQAI-MNOVXSKESA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC001604096003 1287568881 /nfs/dbraw/zinc/56/88/81/1287568881.db2.gz FONMOBKGOOSQAI-MNOVXSKESA-N -2 3 365.415 0.877 20 0 FCADHL C[C@@](CO)([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC001604198254 1287586861 /nfs/dbraw/zinc/58/68/61/1287586861.db2.gz DRQAXHPXGBYYTD-JTQLQIEISA-N -2 3 361.269 0.838 20 0 FCADHL CC(C)(CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001589275967 1282825449 /nfs/dbraw/zinc/82/54/49/1282825449.db2.gz IESPZIILBDNMBP-UHFFFAOYSA-N -2 3 364.337 0.561 20 0 FCADHL CC(C)(CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)[O-] ZINC001589275967 1282825454 /nfs/dbraw/zinc/82/54/54/1282825454.db2.gz IESPZIILBDNMBP-UHFFFAOYSA-N -2 3 364.337 0.561 20 0 FCADHL CC(C)(CCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001589276086 1282826719 /nfs/dbraw/zinc/82/67/19/1282826719.db2.gz OOUKXHQQDKSZTC-UHFFFAOYSA-N -2 3 371.394 0.926 20 0 FCADHL CC(C)(CCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589275813 1282827020 /nfs/dbraw/zinc/82/70/20/1282827020.db2.gz JVEQJAPFNLKQSO-UHFFFAOYSA-N -2 3 357.367 0.785 20 0 FCADHL CC(C)(CCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589275813 1282827028 /nfs/dbraw/zinc/82/70/28/1282827028.db2.gz JVEQJAPFNLKQSO-UHFFFAOYSA-N -2 3 357.367 0.785 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001589418611 1282877715 /nfs/dbraw/zinc/87/77/15/1282877715.db2.gz UODYSFPZHCLHOV-LLVKDONJSA-N -3 3 367.387 0.170 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001589418611 1282877726 /nfs/dbraw/zinc/87/77/26/1282877726.db2.gz UODYSFPZHCLHOV-LLVKDONJSA-N -3 3 367.387 0.170 20 0 FCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604305684 1287602928 /nfs/dbraw/zinc/60/29/28/1287602928.db2.gz HMRXJJXROIQRRC-DMWPJOQESA-N -2 3 351.359 0.499 20 0 FCADHL CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589456973 1282884943 /nfs/dbraw/zinc/88/49/43/1282884943.db2.gz MWTSSQXKOZOEQL-GFCCVEGCSA-N -2 3 371.394 0.782 20 0 FCADHL CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589456973 1282884955 /nfs/dbraw/zinc/88/49/55/1282884955.db2.gz MWTSSQXKOZOEQL-GFCCVEGCSA-N -2 3 371.394 0.782 20 0 FCADHL CC(C)N(CC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001589679321 1282941209 /nfs/dbraw/zinc/94/12/09/1282941209.db2.gz MUVXSNYXYJWZFR-UHFFFAOYSA-N -2 3 357.367 0.631 20 0 FCADHL CC(C)N(CC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001589679321 1282941224 /nfs/dbraw/zinc/94/12/24/1282941224.db2.gz MUVXSNYXYJWZFR-UHFFFAOYSA-N -2 3 357.367 0.631 20 0 FCADHL C[C@@H](CNC(=O)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)C(=O)[O-] ZINC001589850961 1283087643 /nfs/dbraw/zinc/08/76/43/1283087643.db2.gz WDCCYIBTCFAHHB-JTQLQIEISA-N -2 3 372.385 0.195 20 0 FCADHL C[C@@H](CNC(=O)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C(=O)[O-] ZINC001589850961 1283087650 /nfs/dbraw/zinc/08/76/50/1283087650.db2.gz WDCCYIBTCFAHHB-JTQLQIEISA-N -2 3 372.385 0.195 20 0 FCADHL C[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1)C(=O)[O-] ZINC001589857622 1283094303 /nfs/dbraw/zinc/09/43/03/1283094303.db2.gz DYPUTPHZUQRVAB-ONGXEEELSA-N -2 3 361.362 0.145 20 0 FCADHL C[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1)C(=O)[O-] ZINC001589857622 1283094316 /nfs/dbraw/zinc/09/43/16/1283094316.db2.gz DYPUTPHZUQRVAB-ONGXEEELSA-N -2 3 361.362 0.145 20 0 FCADHL C[C@@H](NC(=O)C(=O)[N-]OC1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589916781 1283128855 /nfs/dbraw/zinc/12/88/55/1283128855.db2.gz DYFJUDZKRDAKLI-SNVBAGLBSA-N -2 3 360.374 0.271 20 0 FCADHL C[C@@H](NC(=O)C(=O)[N-]OC1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589916781 1283128858 /nfs/dbraw/zinc/12/88/58/1283128858.db2.gz DYFJUDZKRDAKLI-SNVBAGLBSA-N -2 3 360.374 0.271 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)CC(F)F ZINC001590031445 1283184173 /nfs/dbraw/zinc/18/41/73/1283184173.db2.gz MAPUMMUBLCNNFA-SSDOTTSWSA-N -2 3 361.330 0.345 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)CC(F)F ZINC001590031445 1283184177 /nfs/dbraw/zinc/18/41/77/1283184177.db2.gz MAPUMMUBLCNNFA-SSDOTTSWSA-N -2 3 361.330 0.345 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC001590071729 1283201033 /nfs/dbraw/zinc/20/10/33/1283201033.db2.gz VUIYCTALFWZJKP-QGZVFWFLSA-N -2 3 370.369 0.079 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC001590071729 1283201037 /nfs/dbraw/zinc/20/10/37/1283201037.db2.gz VUIYCTALFWZJKP-QGZVFWFLSA-N -2 3 370.369 0.079 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590071785 1283201876 /nfs/dbraw/zinc/20/18/76/1283201876.db2.gz XQSMRVZGGUMUSU-ZDUSSCGKSA-N -2 3 355.351 0.634 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CO1 ZINC001590183886 1283293222 /nfs/dbraw/zinc/29/32/22/1283293222.db2.gz UYOZRARWVAQYDA-CABZTGNLSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CO1 ZINC001590183886 1283293230 /nfs/dbraw/zinc/29/32/30/1283293230.db2.gz UYOZRARWVAQYDA-CABZTGNLSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC001590195055 1283301302 /nfs/dbraw/zinc/30/13/02/1283301302.db2.gz VCDPHMCSHONOFK-OPQQBVKSSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC001590195055 1283301313 /nfs/dbraw/zinc/30/13/13/1283301313.db2.gz VCDPHMCSHONOFK-OPQQBVKSSA-N -2 3 365.415 0.626 20 0 FCADHL CC[C@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590436299 1283535229 /nfs/dbraw/zinc/53/52/29/1283535229.db2.gz MFGGDPZPSAIYTR-SECBINFHSA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001590436299 1283535237 /nfs/dbraw/zinc/53/52/37/1283535237.db2.gz MFGGDPZPSAIYTR-SECBINFHSA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@H](CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)CC(=O)[O-] ZINC001590446893 1283542003 /nfs/dbraw/zinc/54/20/03/1283542003.db2.gz PGAXPKPIVODCBU-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@H](CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)CC(=O)[O-] ZINC001590446893 1283542006 /nfs/dbraw/zinc/54/20/06/1283542006.db2.gz PGAXPKPIVODCBU-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2OC)COC1 ZINC001590488653 1283563680 /nfs/dbraw/zinc/56/36/80/1283563680.db2.gz CRBWAINLTODJSS-UHFFFAOYSA-N -2 3 367.387 0.107 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2OC)COC1 ZINC001590488653 1283563686 /nfs/dbraw/zinc/56/36/86/1283563686.db2.gz CRBWAINLTODJSS-UHFFFAOYSA-N -2 3 367.387 0.107 20 0 FCADHL CCCC[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590612822 1283649536 /nfs/dbraw/zinc/64/95/36/1283649536.db2.gz LOFKKQXOLWZEKG-LBPRGKRZSA-N -2 3 353.404 0.930 20 0 FCADHL CCCC[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590612822 1283649550 /nfs/dbraw/zinc/64/95/50/1283649550.db2.gz LOFKKQXOLWZEKG-LBPRGKRZSA-N -2 3 353.404 0.930 20 0 FCADHL CCCc1cc(=O)n2[n-]c(NC(=O)c3csc(-c4nnn[n-]4)c3)nc2n1 ZINC001590656988 1283705914 /nfs/dbraw/zinc/70/59/14/1283705914.db2.gz NURMIWTWDFXXLC-UHFFFAOYSA-N -2 3 371.386 0.864 20 0 FCADHL CCCc1nnc([N-]S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)o1 ZINC001590660437 1283708841 /nfs/dbraw/zinc/70/88/41/1283708841.db2.gz BACXNSLHPKEQHC-UHFFFAOYSA-N -2 3 350.364 0.706 20 0 FCADHL CCCc1nnc([N-]S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)o1 ZINC001590660437 1283708851 /nfs/dbraw/zinc/70/88/51/1283708851.db2.gz BACXNSLHPKEQHC-UHFFFAOYSA-N -2 3 350.364 0.706 20 0 FCADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC001590848002 1283925017 /nfs/dbraw/zinc/92/50/17/1283925017.db2.gz DTQFKEMZCTYPTR-UHFFFAOYSA-N -2 3 362.375 0.096 20 0 FCADHL CCc1cc(=O)n2[n-]c(NC(=O)c3csc(-c4nnn[n-]4)c3)nc2n1 ZINC001590877729 1283945237 /nfs/dbraw/zinc/94/52/37/1283945237.db2.gz BFJDTYYNCSETAB-UHFFFAOYSA-N -2 3 357.359 0.474 20 0 FCADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590895829 1283950965 /nfs/dbraw/zinc/95/09/65/1283950965.db2.gz ZZVRPSFQKZFWPK-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590895829 1283950971 /nfs/dbraw/zinc/95/09/71/1283950971.db2.gz ZZVRPSFQKZFWPK-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CCc1nn(C)cc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC ZINC001590929577 1283979310 /nfs/dbraw/zinc/97/93/10/1283979310.db2.gz XOARPLVHHCUKII-UHFFFAOYSA-N -2 3 363.403 0.972 20 0 FCADHL CCn1cc(CC(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cn1 ZINC001590953816 1284005449 /nfs/dbraw/zinc/00/54/49/1284005449.db2.gz LHVARKMMUHVNBH-UHFFFAOYSA-N -2 3 361.387 0.131 20 0 FCADHL CCn1cc(CC(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC001590953816 1284005454 /nfs/dbraw/zinc/00/54/54/1284005454.db2.gz LHVARKMMUHVNBH-UHFFFAOYSA-N -2 3 361.387 0.131 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1cncc(-c2nnn[n-]2)n1 ZINC001591079926 1284149061 /nfs/dbraw/zinc/14/90/61/1284149061.db2.gz SUBKZIUGAQZCOQ-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1cncc(-c2nn[n-]n2)n1 ZINC001591079926 1284149065 /nfs/dbraw/zinc/14/90/65/1284149065.db2.gz SUBKZIUGAQZCOQ-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CN(CCOCc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(=O)n(C)[n-]1 ZINC001591116766 1284193772 /nfs/dbraw/zinc/19/37/72/1284193772.db2.gz ZEYNAYOJNAUPGY-UHFFFAOYSA-N -2 3 357.374 0.595 20 0 FCADHL CN(CCOCc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(=O)n(C)[n-]1 ZINC001591116766 1284193775 /nfs/dbraw/zinc/19/37/75/1284193775.db2.gz ZEYNAYOJNAUPGY-UHFFFAOYSA-N -2 3 357.374 0.595 20 0 FCADHL Cn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC001591190679 1284307556 /nfs/dbraw/zinc/30/75/56/1284307556.db2.gz PZUPDOCESZSZGE-UHFFFAOYSA-N -2 3 374.430 0.783 20 0 FCADHL COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC(=O)c2ccc([O-])cc2)c1 ZINC001591286808 1284444671 /nfs/dbraw/zinc/44/46/71/1284444671.db2.gz QMRWMBQJWRHLKR-UHFFFAOYSA-N -2 3 355.310 0.404 20 0 FCADHL COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2ccc([O-])cc2)c1 ZINC001591286808 1284444675 /nfs/dbraw/zinc/44/46/75/1284444675.db2.gz QMRWMBQJWRHLKR-UHFFFAOYSA-N -2 3 355.310 0.404 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccn1 ZINC001591308664 1284460852 /nfs/dbraw/zinc/46/08/52/1284460852.db2.gz REFNXGRFOLXQFV-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccn1 ZINC001591308664 1284460857 /nfs/dbraw/zinc/46/08/57/1284460857.db2.gz REFNXGRFOLXQFV-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591376310 1284513803 /nfs/dbraw/zinc/51/38/03/1284513803.db2.gz SHDICNZMMOPVCE-QWRGUYRKSA-N -2 3 367.431 0.526 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591376310 1284513814 /nfs/dbraw/zinc/51/38/14/1284513814.db2.gz SHDICNZMMOPVCE-QWRGUYRKSA-N -2 3 367.431 0.526 20 0 FCADHL COCCn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001591450739 1284613432 /nfs/dbraw/zinc/61/34/32/1284613432.db2.gz SZEIDSJIUTWRNM-UHFFFAOYSA-N -2 3 367.366 0.650 20 0 FCADHL COCCn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001591450739 1284613434 /nfs/dbraw/zinc/61/34/34/1284613434.db2.gz SZEIDSJIUTWRNM-UHFFFAOYSA-N -2 3 367.366 0.650 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001591496530 1284672770 /nfs/dbraw/zinc/67/27/70/1284672770.db2.gz CYEVPNAKJZNSBF-KOLCDFICSA-N -2 3 361.358 0.576 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001591496531 1284674276 /nfs/dbraw/zinc/67/42/76/1284674276.db2.gz CYEVPNAKJZNSBF-MWLCHTKSSA-N -2 3 361.358 0.576 20 0 FCADHL COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)[N-]OC/C=C\Cl ZINC001591565600 1284743038 /nfs/dbraw/zinc/74/30/38/1284743038.db2.gz VRODHHBQJFDRBR-DJWKRKHSSA-N -2 3 352.738 0.614 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]OC/C=C\Cl ZINC001591565600 1284743045 /nfs/dbraw/zinc/74/30/45/1284743045.db2.gz VRODHHBQJFDRBR-DJWKRKHSSA-N -2 3 352.738 0.614 20 0 FCADHL CSc1nc(C2CC2)cc(C(=O)[N-]N2CCOC2=O)c1-c1nn[n-]n1 ZINC001591718871 1284854130 /nfs/dbraw/zinc/85/41/30/1284854130.db2.gz RKQOBKNPRABBKI-UHFFFAOYSA-N -2 3 361.387 0.958 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001591871827 1284958889 /nfs/dbraw/zinc/95/88/89/1284958889.db2.gz ATKIZIFIGDOJJY-GFCCVEGCSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001591871827 1284958895 /nfs/dbraw/zinc/95/88/95/1284958895.db2.gz ATKIZIFIGDOJJY-GFCCVEGCSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC1([C@H](C)C(=O)[O-])CC1 ZINC001591874211 1284963366 /nfs/dbraw/zinc/96/33/66/1284963366.db2.gz ZAPLZPRBIGPHTI-SECBINFHSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC1([C@H](C)C(=O)[O-])CC1 ZINC001591874211 1284963370 /nfs/dbraw/zinc/96/33/70/1284963370.db2.gz ZAPLZPRBIGPHTI-SECBINFHSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC001591876646 1284964006 /nfs/dbraw/zinc/96/40/06/1284964006.db2.gz ZSKDVOMJNUDDBS-UHFFFAOYSA-N -2 3 368.419 0.445 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC001591876646 1284964014 /nfs/dbraw/zinc/96/40/14/1284964014.db2.gz ZSKDVOMJNUDDBS-UHFFFAOYSA-N -2 3 368.419 0.445 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC001591875853 1284966115 /nfs/dbraw/zinc/96/61/15/1284966115.db2.gz PQGZKICQEVFPPM-UHFFFAOYSA-N -2 3 359.371 0.225 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC001591875853 1284966118 /nfs/dbraw/zinc/96/61/18/1284966118.db2.gz PQGZKICQEVFPPM-UHFFFAOYSA-N -2 3 359.371 0.225 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)ncc1-c1nnn[n-]1 ZINC001591929615 1285016851 /nfs/dbraw/zinc/01/68/51/1285016851.db2.gz HEHCXQPORAUWKK-JTQLQIEISA-N -2 3 366.403 0.199 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)ncc1-c1nn[n-]n1 ZINC001591929615 1285016855 /nfs/dbraw/zinc/01/68/55/1285016855.db2.gz HEHCXQPORAUWKK-JTQLQIEISA-N -2 3 366.403 0.199 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001591989707 1285044763 /nfs/dbraw/zinc/04/47/63/1285044763.db2.gz YLQLBNXIDBDRFY-WCBMZHEXSA-N -2 3 369.378 0.798 20 0 FCADHL Cc1cc(OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC001592059396 1285098705 /nfs/dbraw/zinc/09/87/05/1285098705.db2.gz LWPFXNTXZHYQCH-UHFFFAOYSA-N -2 3 364.343 0.047 20 0 FCADHL Cc1cc(OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC001592059396 1285098715 /nfs/dbraw/zinc/09/87/15/1285098715.db2.gz LWPFXNTXZHYQCH-UHFFFAOYSA-N -2 3 364.343 0.047 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1-c1nnn[n-]1 ZINC001592063987 1285103420 /nfs/dbraw/zinc/10/34/20/1285103420.db2.gz ORVCVWOVMBTNML-GXFFZTMASA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1-c1nn[n-]n1 ZINC001592063987 1285103430 /nfs/dbraw/zinc/10/34/30/1285103430.db2.gz ORVCVWOVMBTNML-GXFFZTMASA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@@H]1C ZINC001592109617 1285142682 /nfs/dbraw/zinc/14/26/82/1285142682.db2.gz UFXZILNYVZXOLJ-JQWIXIFHSA-N -2 3 365.415 0.653 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@@H]1C ZINC001592109617 1285142688 /nfs/dbraw/zinc/14/26/88/1285142688.db2.gz UFXZILNYVZXOLJ-JQWIXIFHSA-N -2 3 365.415 0.653 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC001592108977 1285143709 /nfs/dbraw/zinc/14/37/09/1285143709.db2.gz LWSRNINFARQFQL-SNVBAGLBSA-N -2 3 369.403 0.021 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC001592108977 1285143714 /nfs/dbraw/zinc/14/37/14/1285143714.db2.gz LWSRNINFARQFQL-SNVBAGLBSA-N -2 3 369.403 0.021 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@@H]1C ZINC001592109616 1285144566 /nfs/dbraw/zinc/14/45/66/1285144566.db2.gz UFXZILNYVZXOLJ-CMPLNLGQSA-N -2 3 365.415 0.653 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@@H]1C ZINC001592109616 1285144584 /nfs/dbraw/zinc/14/45/84/1285144584.db2.gz UFXZILNYVZXOLJ-CMPLNLGQSA-N -2 3 365.415 0.653 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC001592111118 1285145689 /nfs/dbraw/zinc/14/56/89/1285145689.db2.gz SKBAVLJYGSXZEA-UHFFFAOYSA-N -2 3 367.387 0.133 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC001592111118 1285145691 /nfs/dbraw/zinc/14/56/91/1285145691.db2.gz SKBAVLJYGSXZEA-UHFFFAOYSA-N -2 3 367.387 0.133 20 0 FCADHL Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592174079 1285167911 /nfs/dbraw/zinc/16/79/11/1285167911.db2.gz HKGXFRVXOPPAHQ-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592174079 1285167917 /nfs/dbraw/zinc/16/79/17/1285167917.db2.gz HKGXFRVXOPPAHQ-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1ccc(N2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)nc1-c1nnn[n-]1 ZINC001592175363 1285168815 /nfs/dbraw/zinc/16/88/15/1285168815.db2.gz QSJHNRMXZCQWGT-NEPJUHHUSA-N -2 3 368.401 0.998 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC([C@@H](C)C(=O)[O-])C2)c(-c2nnn[n-]2)c1 ZINC001592193336 1285177804 /nfs/dbraw/zinc/17/78/04/1285177804.db2.gz UQLWYYSIKDYYCB-SECBINFHSA-N -2 3 351.388 0.516 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC([C@@H](C)C(=O)[O-])C2)c(-c2nn[n-]n2)c1 ZINC001592193336 1285177807 /nfs/dbraw/zinc/17/78/07/1285177807.db2.gz UQLWYYSIKDYYCB-SECBINFHSA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001592213580 1285184073 /nfs/dbraw/zinc/18/40/73/1285184073.db2.gz FRKUBXIFRDYQIN-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001592213580 1285184078 /nfs/dbraw/zinc/18/40/78/1285184078.db2.gz FRKUBXIFRDYQIN-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1-c1nnn[n-]1 ZINC001592234550 1285190770 /nfs/dbraw/zinc/19/07/70/1285190770.db2.gz VYNXOPXUCKQPFN-NSHDSACASA-N -2 3 372.385 0.731 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1-c1nn[n-]n1 ZINC001592234550 1285190777 /nfs/dbraw/zinc/19/07/77/1285190777.db2.gz VYNXOPXUCKQPFN-NSHDSACASA-N -2 3 372.385 0.731 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001592239497 1285196486 /nfs/dbraw/zinc/19/64/86/1285196486.db2.gz RBASMEJZQXPINV-BXKDBHETSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001592239497 1285196491 /nfs/dbraw/zinc/19/64/91/1285196491.db2.gz RBASMEJZQXPINV-BXKDBHETSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(S(=O)(=O)NCc2cc(C(=O)[O-])co2)c1-c1nnn[n-]1 ZINC001592239698 1285196534 /nfs/dbraw/zinc/19/65/34/1285196534.db2.gz OAUTYPAACHFYSM-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1cccc(S(=O)(=O)NCc2cc(C(=O)[O-])co2)c1-c1nn[n-]n1 ZINC001592239698 1285196535 /nfs/dbraw/zinc/19/65/35/1285196535.db2.gz OAUTYPAACHFYSM-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1cnc(C(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)c([O-])c1 ZINC001592288332 1285216721 /nfs/dbraw/zinc/21/67/21/1285216721.db2.gz BDUSUMZFPNGUQO-UHFFFAOYSA-N -2 3 366.385 0.633 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC001592412693 1285329013 /nfs/dbraw/zinc/32/90/13/1285329013.db2.gz JZLMQMCRHROLAQ-UHFFFAOYSA-N -2 3 356.414 0.812 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC001592412693 1285329019 /nfs/dbraw/zinc/32/90/19/1285329019.db2.gz JZLMQMCRHROLAQ-UHFFFAOYSA-N -2 3 356.414 0.812 20 0 FCADHL Cc1ncc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC001592414236 1285334088 /nfs/dbraw/zinc/33/40/88/1285334088.db2.gz BHUVBZZSYYPDOP-UHFFFAOYSA-N -2 3 374.382 0.747 20 0 FCADHL Cc1ncc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC001592414236 1285334102 /nfs/dbraw/zinc/33/41/02/1285334102.db2.gz BHUVBZZSYYPDOP-UHFFFAOYSA-N -2 3 374.382 0.747 20 0 FCADHL Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)cc12 ZINC001592431945 1285366563 /nfs/dbraw/zinc/36/65/63/1285366563.db2.gz MXJONCUNQRHWOQ-UHFFFAOYSA-N -2 3 371.386 0.653 20 0 FCADHL Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)cc12 ZINC001592431945 1285366568 /nfs/dbraw/zinc/36/65/68/1285366568.db2.gz MXJONCUNQRHWOQ-UHFFFAOYSA-N -2 3 371.386 0.653 20 0 FCADHL Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001592436168 1285369186 /nfs/dbraw/zinc/36/91/86/1285369186.db2.gz SAEVZDYMWAWUFI-UHFFFAOYSA-N -2 3 353.389 0.089 20 0 FCADHL Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001592436168 1285369196 /nfs/dbraw/zinc/36/91/96/1285369196.db2.gz SAEVZDYMWAWUFI-UHFFFAOYSA-N -2 3 353.389 0.089 20 0 FCADHL Cc1noc(C[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001592462133 1285401367 /nfs/dbraw/zinc/40/13/67/1285401367.db2.gz CSZBMZFTJFBHEM-UHFFFAOYSA-N -2 3 355.767 0.690 20 0 FCADHL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001592569599 1285485155 /nfs/dbraw/zinc/48/51/55/1285485155.db2.gz HTHOGCYMSLNCJM-WDEREUQCSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001592569599 1285485159 /nfs/dbraw/zinc/48/51/59/1285485159.db2.gz HTHOGCYMSLNCJM-WDEREUQCSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1ccc(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC001592578743 1285498874 /nfs/dbraw/zinc/49/88/74/1285498874.db2.gz DCGVCPUATHQLNG-UHFFFAOYSA-N -2 3 369.357 0.399 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592821405 1285735817 /nfs/dbraw/zinc/73/58/17/1285735817.db2.gz MHSGJYWSIRRPFX-JTQLQIEISA-N -2 3 351.388 0.631 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592821405 1285735823 /nfs/dbraw/zinc/73/58/23/1285735823.db2.gz MHSGJYWSIRRPFX-JTQLQIEISA-N -2 3 351.388 0.631 20 0 FCADHL O=C(C[C@H]1CCOC1)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001592826092 1285741425 /nfs/dbraw/zinc/74/14/25/1285741425.db2.gz IQRROXVQYRDQDX-SECBINFHSA-N -2 3 369.378 0.378 20 0 FCADHL O=C(C[C@H]1CCOC1)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001592826092 1285741428 /nfs/dbraw/zinc/74/14/28/1285741428.db2.gz IQRROXVQYRDQDX-SECBINFHSA-N -2 3 369.378 0.378 20 0 FCADHL O=C(CCc1cnccn1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592855775 1285759328 /nfs/dbraw/zinc/75/93/28/1285759328.db2.gz OLBOETGLAMECDB-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CCc1cnccn1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592855775 1285759333 /nfs/dbraw/zinc/75/93/33/1285759333.db2.gz OLBOETGLAMECDB-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CN1CSCCSC1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592869124 1285776768 /nfs/dbraw/zinc/77/67/68/1285776768.db2.gz OSRZJNZGRVZFDL-UHFFFAOYSA-N -2 3 352.445 0.974 20 0 FCADHL O=C(CN1CSCCSC1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592869124 1285776774 /nfs/dbraw/zinc/77/67/74/1285776774.db2.gz OSRZJNZGRVZFDL-UHFFFAOYSA-N -2 3 352.445 0.974 20 0 FCADHL O=C(COC(F)F)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001592886224 1285792694 /nfs/dbraw/zinc/79/26/94/1285792694.db2.gz XHMPGGQOGPCQIE-UHFFFAOYSA-N -2 3 365.293 0.191 20 0 FCADHL O=C(COC(F)F)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001592886224 1285792697 /nfs/dbraw/zinc/79/26/97/1285792697.db2.gz XHMPGGQOGPCQIE-UHFFFAOYSA-N -2 3 365.293 0.191 20 0 FCADHL O=C(COCc1ccncc1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592887173 1285794743 /nfs/dbraw/zinc/79/47/43/1285794743.db2.gz XCFNBKNUBWXIQN-UHFFFAOYSA-N -2 3 374.382 0.283 20 0 FCADHL O=C(COCc1ccncc1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592887173 1285794747 /nfs/dbraw/zinc/79/47/47/1285794747.db2.gz XCFNBKNUBWXIQN-UHFFFAOYSA-N -2 3 374.382 0.283 20 0 FCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)c1ccccc1 ZINC001592897401 1285801547 /nfs/dbraw/zinc/80/15/47/1285801547.db2.gz GFNZMGPFRDAUCA-UHFFFAOYSA-N -2 3 359.367 0.751 20 0 FCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)c1ccccc1 ZINC001592897401 1285801555 /nfs/dbraw/zinc/80/15/55/1285801555.db2.gz GFNZMGPFRDAUCA-UHFFFAOYSA-N -2 3 359.367 0.751 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[N-]Oc1ccccc1 ZINC001592901642 1285803346 /nfs/dbraw/zinc/80/33/46/1285803346.db2.gz MGGPZGGUYNKWBP-UHFFFAOYSA-N -2 3 373.394 0.892 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[N-]Oc1ccccc1 ZINC001592901642 1285803359 /nfs/dbraw/zinc/80/33/59/1285803359.db2.gz MGGPZGGUYNKWBP-UHFFFAOYSA-N -2 3 373.394 0.892 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)N1CCCCC1 ZINC001592911560 1285807881 /nfs/dbraw/zinc/80/78/81/1285807881.db2.gz VAJRTIDPLQGRCG-UHFFFAOYSA-N -2 3 350.404 0.256 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)N1CCCCC1 ZINC001592911560 1285807888 /nfs/dbraw/zinc/80/78/88/1285807888.db2.gz VAJRTIDPLQGRCG-UHFFFAOYSA-N -2 3 350.404 0.256 20 0 FCADHL O=C([N-]OCc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001593142331 1286018031 /nfs/dbraw/zinc/01/80/31/1286018031.db2.gz ZPYLSFLUTQMUQY-UHFFFAOYSA-N -2 3 352.354 0.731 20 0 FCADHL O=C([N-]OCc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001593142331 1286018035 /nfs/dbraw/zinc/01/80/35/1286018035.db2.gz ZPYLSFLUTQMUQY-UHFFFAOYSA-N -2 3 352.354 0.731 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@@H]1COc2ccc(O)cc2O1 ZINC001593170064 1286025774 /nfs/dbraw/zinc/02/57/74/1286025774.db2.gz CCHJTEVIVIIFSZ-AWEZNQCLSA-N -2 3 355.310 0.822 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1COc2ccc(O)cc2O1 ZINC001593170064 1286025776 /nfs/dbraw/zinc/02/57/76/1286025776.db2.gz CCHJTEVIVIIFSZ-AWEZNQCLSA-N -2 3 355.310 0.822 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001593169590 1286026094 /nfs/dbraw/zinc/02/60/94/1286026094.db2.gz YQPXPXQEWRDIKD-MRVPVSSYSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001593169590 1286026096 /nfs/dbraw/zinc/02/60/96/1286026096.db2.gz YQPXPXQEWRDIKD-MRVPVSSYSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001593273463 1286057349 /nfs/dbraw/zinc/05/73/49/1286057349.db2.gz GYTWOJQBHLJNND-APPZFPTMSA-N -2 3 353.335 0.313 20 0 FCADHL O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593275262 1286057971 /nfs/dbraw/zinc/05/79/71/1286057971.db2.gz VUJYPXGQRKAMJT-LLVKDONJSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593275262 1286057977 /nfs/dbraw/zinc/05/79/77/1286057977.db2.gz VUJYPXGQRKAMJT-LLVKDONJSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593275033 1286058025 /nfs/dbraw/zinc/05/80/25/1286058025.db2.gz CNEXIOZAOXDMOJ-MRVPVSSYSA-N -2 3 369.384 0.495 20 0 FCADHL O=C([O-])[C@@H](CCF)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001593274840 1286058525 /nfs/dbraw/zinc/05/85/25/1286058525.db2.gz ATECFSJGGJFUGE-MRVPVSSYSA-N -2 3 363.758 0.611 20 0 FCADHL O=C([O-])[C@@H](CC1CC1)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001593275668 1286059072 /nfs/dbraw/zinc/05/90/72/1286059072.db2.gz HBIBAIPLFWNFOO-SNVBAGLBSA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])C1(C(=O)N2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)CC1 ZINC001593275545 1286059406 /nfs/dbraw/zinc/05/94/06/1286059406.db2.gz FOURULOPDYEIFE-UHFFFAOYSA-N -2 3 360.349 0.519 20 0 FCADHL O=C([O-])C1(C(=O)N2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)CC1 ZINC001593275545 1286059410 /nfs/dbraw/zinc/05/94/10/1286059410.db2.gz FOURULOPDYEIFE-UHFFFAOYSA-N -2 3 360.349 0.519 20 0 FCADHL O=C([O-])C[C@@]1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCOC1 ZINC001593276163 1286059573 /nfs/dbraw/zinc/05/95/73/1286059573.db2.gz HHJHUOYPXHJYFD-INIZCTEOSA-N -2 3 361.358 0.386 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC001593276301 1286059820 /nfs/dbraw/zinc/05/98/20/1286059820.db2.gz JRRSSDDPERRVJI-UHFFFAOYSA-N -2 3 365.415 0.931 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC001593276301 1286059821 /nfs/dbraw/zinc/05/98/21/1286059821.db2.gz JRRSSDDPERRVJI-UHFFFAOYSA-N -2 3 365.415 0.931 20 0 FCADHL O=C([O-])CCN(C1CC1)S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001593278855 1286062127 /nfs/dbraw/zinc/06/21/27/1286062127.db2.gz ZHOQEBLHFXTASB-UHFFFAOYSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])CCN(C1CC1)S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001593278855 1286062128 /nfs/dbraw/zinc/06/21/28/1286062128.db2.gz ZHOQEBLHFXTASB-UHFFFAOYSA-N -2 3 351.388 0.636 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001593372839 1286094545 /nfs/dbraw/zinc/09/45/45/1286094545.db2.gz JXVRNCYLHSXXNE-UHFFFAOYSA-N -2 3 366.385 0.715 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCC(=O)C1 ZINC001593388032 1286107875 /nfs/dbraw/zinc/10/78/75/1286107875.db2.gz FMTWODOOIMDXFC-VIFPVBQESA-N -2 3 367.362 0.321 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CCC(=O)C1 ZINC001593388032 1286107877 /nfs/dbraw/zinc/10/78/77/1286107877.db2.gz FMTWODOOIMDXFC-VIFPVBQESA-N -2 3 367.362 0.321 20 0 FCADHL O=S(=O)([N-][C@@H](CCO)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593430292 1286152607 /nfs/dbraw/zinc/15/26/07/1286152607.db2.gz NXKYHFXISGBCJQ-LURJTMIESA-N -2 3 357.339 0.520 20 0 FCADHL O=S(=O)([N-][C@@H](CCO)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593430292 1286152608 /nfs/dbraw/zinc/15/26/08/1286152608.db2.gz NXKYHFXISGBCJQ-LURJTMIESA-N -2 3 357.339 0.520 20 0 FCADHL O=S(=O)([N-][C@H]1CC12CC(O)C2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593433307 1286154256 /nfs/dbraw/zinc/15/42/56/1286154256.db2.gz CDWJFYISOBCGHQ-JRIBOLAGSA-N -2 3 357.342 0.337 20 0 FCADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccn1)c1cccc(-n2cnnn2)c1 ZINC001593444950 1286159293 /nfs/dbraw/zinc/15/92/93/1286159293.db2.gz VMSSBRISLJRMGF-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccn1)c1cccc(-n2cnnn2)c1 ZINC001593444950 1286159297 /nfs/dbraw/zinc/15/92/97/1286159297.db2.gz VMSSBRISLJRMGF-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cnccc1C(F)(F)F ZINC001593444940 1286159766 /nfs/dbraw/zinc/15/97/66/1286159766.db2.gz UZWNFMBSTLVCPI-UHFFFAOYSA-N -2 3 360.281 0.804 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)CCSCC(=O)[O-])CC2)n1 ZINC001600064604 1286435466 /nfs/dbraw/zinc/43/54/66/1286435466.db2.gz VWUGCBBUUNNRCX-UHFFFAOYSA-N -2 3 354.432 0.784 20 0 FCADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])s1 ZINC001600070784 1286437527 /nfs/dbraw/zinc/43/75/27/1286437527.db2.gz HOXQTJLDLFTCCO-LURJTMIESA-N -2 3 358.235 0.933 20 0 FCADHL Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)CC3(C(=O)[O-])CCC3)C2=O)n(C)n1 ZINC001600239503 1286458443 /nfs/dbraw/zinc/45/84/43/1286458443.db2.gz WITTXXZSWICMEC-LLVKDONJSA-N -2 3 370.431 0.008 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CO)Cc2cnn(C)c2)oc1C(=O)[O-] ZINC001600298853 1286472852 /nfs/dbraw/zinc/47/28/52/1286472852.db2.gz FMSGIWCVJBOPMK-LLVKDONJSA-N -2 3 357.388 0.149 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CCC(=O)NCc2cccnc2)oc1C(=O)[O-] ZINC001600298923 1286472891 /nfs/dbraw/zinc/47/28/91/1286472891.db2.gz MLTFMFGEKNVZBS-UHFFFAOYSA-N -2 3 367.383 0.666 20 0 FCADHL Cc1ccc2c(n1)[n-]cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c2=O ZINC001600493588 1286498161 /nfs/dbraw/zinc/49/81/61/1286498161.db2.gz OOHPIGQQHVJEIC-ZDUSSCGKSA-N -2 3 374.397 0.989 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)c3ccccc32)c1C(=O)[O-] ZINC001600673842 1286525135 /nfs/dbraw/zinc/52/51/35/1286525135.db2.gz WANHGBKLHDCLCS-SECBINFHSA-N -2 3 371.396 0.223 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2c3ccccc3CN2C)c1C(=O)[O-] ZINC001600674593 1286525937 /nfs/dbraw/zinc/52/59/37/1286525937.db2.gz UJTXBSCGDQEKCL-GFCCVEGCSA-N -2 3 350.400 0.881 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)c1C(=O)[O-] ZINC001600674295 1286526578 /nfs/dbraw/zinc/52/65/78/1286526578.db2.gz YBRWASAOPNWBER-SNVBAGLBSA-N -2 3 361.326 0.706 20 0 FCADHL CO[C@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609309337 1289081186 /nfs/dbraw/zinc/08/11/86/1289081186.db2.gz ZQQMYWKQAAZVEH-GQYWMQPJSA-N -2 3 351.388 0.361 20 0 FCADHL CO[C@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609309337 1289081194 /nfs/dbraw/zinc/08/11/94/1289081194.db2.gz ZQQMYWKQAAZVEH-GQYWMQPJSA-N -2 3 351.388 0.361 20 0 FCADHL Cc1ncc(S(=O)(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1C(=O)[O-] ZINC001600747997 1286537433 /nfs/dbraw/zinc/53/74/33/1286537433.db2.gz SNSUQPUBZWGHCR-UHFFFAOYSA-N -2 3 364.383 0.940 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CC[C@H]2C(=O)[O-])CCCC1 ZINC001600810121 1286549738 /nfs/dbraw/zinc/54/97/38/1286549738.db2.gz VHMJQWRTUDSUAT-NSHDSACASA-N -2 3 371.415 0.568 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1ncccc1-c1nn[n-]n1)C1CCOCC1 ZINC001609311504 1289083554 /nfs/dbraw/zinc/08/35/54/1289083554.db2.gz WRJWAHIFJDYALT-GFCCVEGCSA-N -2 3 368.419 0.445 20 0 FCADHL Cn1cc(N2CC[C@H]([N-]S(=O)(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])C2=O)cn1 ZINC001600958741 1286580406 /nfs/dbraw/zinc/58/04/06/1286580406.db2.gz ODRICAHITDZSDF-FRRDWIJNSA-N -2 3 370.431 0.088 20 0 FCADHL O=C(CN1CCC[C@H](c2n[n-]c(=O)o2)C1)NC1(C(=O)[O-])CCCCC1 ZINC001601313167 1286722889 /nfs/dbraw/zinc/72/28/89/1286722889.db2.gz MLAZOSQIITUKDF-NSHDSACASA-N -2 3 352.391 0.858 20 0 FCADHL O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001601322785 1286727129 /nfs/dbraw/zinc/72/71/29/1286727129.db2.gz ZBBGXQIMQNRMEO-SMDDNHRTSA-N -2 3 350.371 0.508 20 0 FCADHL O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001601322784 1286727578 /nfs/dbraw/zinc/72/75/78/1286727578.db2.gz ZBBGXQIMQNRMEO-RISCZKNCSA-N -2 3 350.371 0.508 20 0 FCADHL O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001601441062 1286748986 /nfs/dbraw/zinc/74/89/86/1286748986.db2.gz QACZFUVQHCZBEB-LLVKDONJSA-N -2 3 354.322 0.730 20 0 FCADHL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)[C@@H]2C1 ZINC001601442441 1286750055 /nfs/dbraw/zinc/75/00/55/1286750055.db2.gz CXMYXUNQVRNRFT-VEGXAWMVSA-N -2 3 361.402 0.559 20 0 FCADHL O=C([O-])[C@H](CC1OCCO1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001601646739 1286798996 /nfs/dbraw/zinc/79/89/96/1286798996.db2.gz WSQDUNSJNDTJQH-QMMMGPOBSA-N -2 3 354.743 0.369 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC001609338417 1289107247 /nfs/dbraw/zinc/10/72/47/1289107247.db2.gz ASKMHAGZEUXXKW-SECBINFHSA-N -2 3 365.371 0.049 20 0 FCADHL 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1286921254 /nfs/dbraw/zinc/92/12/54/1286921254.db2.gz MJNCSXXWCGPFHO-LLVKDONJSA-N -2 3 371.187 0.960 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)c1F ZINC001602229149 1286971888 /nfs/dbraw/zinc/97/18/88/1286971888.db2.gz YFJGIABPBZLTDI-AWEZNQCLSA-N -2 3 365.354 0.730 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2nnc3n2CCOC3)c1F ZINC001602228448 1286972312 /nfs/dbraw/zinc/97/23/12/1286972312.db2.gz NHOBZWYJCYCJJS-UHFFFAOYSA-N -2 3 374.325 0.263 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]c2c(-c3nnn[n-]3)cnn2C)cc1F ZINC001609358655 1289116929 /nfs/dbraw/zinc/11/69/29/1289116929.db2.gz QAOBDJHSNQNBFS-UHFFFAOYSA-N -2 3 353.339 0.549 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CS(=O)(=O)c3ccccc32)o1 ZINC001602398079 1286996381 /nfs/dbraw/zinc/99/63/81/1286996381.db2.gz DNRMKPDXHNYYBA-VIFPVBQESA-N -2 3 371.392 0.827 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCCc2c1cnn2CCO ZINC001602489230 1287010344 /nfs/dbraw/zinc/01/03/44/1287010344.db2.gz XDBKAGIIIFSWPH-LLVKDONJSA-N -2 3 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/nfs/dbraw/zinc/39/49/03/1288394903.db2.gz KZPMIPQZGIOWPR-UHFFFAOYSA-N -2 3 371.419 0.847 20 0 FCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCOC1 ZINC001606593265 1288399457 /nfs/dbraw/zinc/39/94/57/1288399457.db2.gz QPSYVCKXPSJIGW-CQSZACIVSA-N -2 3 361.347 0.524 20 0 FCADHL O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606638683 1288419686 /nfs/dbraw/zinc/41/96/86/1288419686.db2.gz PZTBPHBNACPMNU-ZDUSSCGKSA-N -2 3 363.341 0.605 20 0 FCADHL O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606638683 1288419691 /nfs/dbraw/zinc/41/96/91/1288419691.db2.gz PZTBPHBNACPMNU-ZDUSSCGKSA-N -2 3 363.341 0.605 20 0 FCADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccncc1F ZINC001606638029 1288419817 /nfs/dbraw/zinc/41/98/17/1288419817.db2.gz LZFIHMDBYNFGLX-UHFFFAOYSA-N -2 3 360.344 0.990 20 0 FCADHL O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001606637766 1288420340 /nfs/dbraw/zinc/42/03/40/1288420340.db2.gz DZZKCLHGPDZXNI-LBPRGKRZSA-N -2 3 365.357 0.732 20 0 FCADHL O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001606637766 1288420343 /nfs/dbraw/zinc/42/03/43/1288420343.db2.gz DZZKCLHGPDZXNI-LBPRGKRZSA-N -2 3 365.357 0.732 20 0 FCADHL COC1(C[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C(=O)[O-])CCC1 ZINC001606714135 1288463393 /nfs/dbraw/zinc/46/33/93/1288463393.db2.gz FLOHNSHYALWMOV-ZETCQYMHSA-N -3 3 364.401 0.532 20 0 FCADHL O=C(NC[C@H]1CCCN1c1ncccc1-c1nnn[n-]1)c1ncccc1[O-] ZINC001606736860 1288478752 /nfs/dbraw/zinc/47/87/52/1288478752.db2.gz ZOBVJCHBBHRWDI-LLVKDONJSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NC[C@H]1CCCN1c1ncccc1-c1nn[n-]n1)c1ncccc1[O-] ZINC001606736860 1288478761 /nfs/dbraw/zinc/47/87/61/1288478761.db2.gz ZOBVJCHBBHRWDI-LLVKDONJSA-N -2 3 366.385 0.761 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001606863277 1288542293 /nfs/dbraw/zinc/54/22/93/1288542293.db2.gz UQISFZUAPGGARH-UHFFFAOYSA-N -2 3 366.765 0.685 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001606863277 1288542296 /nfs/dbraw/zinc/54/22/96/1288542296.db2.gz UQISFZUAPGGARH-UHFFFAOYSA-N -2 3 366.765 0.685 20 0 FCADHL COCCn1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1=O ZINC001606931450 1288568468 /nfs/dbraw/zinc/56/84/68/1288568468.db2.gz KHOBMCUWZQNAAN-UHFFFAOYSA-N -2 3 359.385 0.450 20 0 FCADHL O=C([O-])[C@@H](CCF)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001606958744 1288574322 /nfs/dbraw/zinc/57/43/22/1288574322.db2.gz FYXJITVHQWJFBC-MRVPVSSYSA-N -2 3 363.758 0.611 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001606959246 1288575360 /nfs/dbraw/zinc/57/53/60/1288575360.db2.gz JVKXVIZRGKKAJC-UHFFFAOYSA-N -2 3 357.779 0.663 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001606959246 1288575362 /nfs/dbraw/zinc/57/53/62/1288575362.db2.gz JVKXVIZRGKKAJC-UHFFFAOYSA-N -2 3 357.779 0.663 20 0 FCADHL O=C([O-])[C@H](CC1CC1)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001606959715 1288575367 /nfs/dbraw/zinc/57/53/67/1288575367.db2.gz LYJKJJZPTONGGM-LBPRGKRZSA-N -2 3 351.388 0.539 20 0 FCADHL O=C([O-])[C@H](CC1CC1)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001606959715 1288575369 /nfs/dbraw/zinc/57/53/69/1288575369.db2.gz LYJKJJZPTONGGM-LBPRGKRZSA-N -2 3 351.388 0.539 20 0 FCADHL O=C([O-])C1=CC[C@H](NS(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606960323 1288576357 /nfs/dbraw/zinc/57/63/57/1288576357.db2.gz QIEACRUAUFMMJX-NSHDSACASA-N -2 3 367.362 0.599 20 0 FCADHL O=C([O-])C1=CC[C@H](NS(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001606960323 1288576358 /nfs/dbraw/zinc/57/63/58/1288576358.db2.gz QIEACRUAUFMMJX-NSHDSACASA-N -2 3 367.362 0.599 20 0 FCADHL O=C([O-])C1CCC(NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001606960839 1288576461 /nfs/dbraw/zinc/57/64/61/1288576461.db2.gz NJSFCKBMOFYMDX-UHFFFAOYSA-N -2 3 351.388 0.788 20 0 FCADHL O=C([O-])C1CCC(NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001606960839 1288576464 /nfs/dbraw/zinc/57/64/64/1288576464.db2.gz NJSFCKBMOFYMDX-UHFFFAOYSA-N -2 3 351.388 0.788 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001606961788 1288577470 /nfs/dbraw/zinc/57/74/70/1288577470.db2.gz YMZIRJRLIBKEFQ-MRVPVSSYSA-N -2 3 355.351 0.491 20 0 FCADHL O=S(=O)([N-][C@@H]1CCC[C@@H](CO)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001607059790 1288629370 /nfs/dbraw/zinc/62/93/70/1288629370.db2.gz MMFGXIIBRKHKQS-PSASIEDQSA-N -2 3 373.385 0.974 20 0 FCADHL O=S(=O)([N-]CCC1(O)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001607063617 1288636093 /nfs/dbraw/zinc/63/60/93/1288636093.db2.gz OPOUVETZDRTNBD-UHFFFAOYSA-N -2 3 359.358 0.728 20 0 FCADHL Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2occc2C(=O)[O-])cc1 ZINC001607732428 1288736770 /nfs/dbraw/zinc/73/67/70/1288736770.db2.gz KIOKYRYUPVSAJE-UHFFFAOYSA-N -2 3 352.368 0.995 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCc3cc(O)ccc3C2)c1C(=O)[O-] ZINC001607939594 1288749607 /nfs/dbraw/zinc/74/96/07/1288749607.db2.gz CPQTYCHPTHPGBY-NSHDSACASA-N -2 3 351.384 0.958 20 0 FCADHL Cn1cc([C@H]2C[C@@H]([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])CCO2)cn1 ZINC001608106857 1288768508 /nfs/dbraw/zinc/76/85/08/1288768508.db2.gz IIBLXMLIRSCLRX-GXSJLCMTSA-N -2 3 355.376 0.040 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCC(=O)Nc1cccnc1 ZINC001608311772 1288817387 /nfs/dbraw/zinc/81/73/87/1288817387.db2.gz NYXCJKLBBITXKV-UHFFFAOYSA-N -2 3 356.385 0.543 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001608627173 1288860757 /nfs/dbraw/zinc/86/07/57/1288860757.db2.gz REFIXASGANWJQS-QJPTWQEYSA-N -2 3 370.431 0.324 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)N2CCc3c(=O)[n-]cnc3C2)ccc1F ZINC001608859052 1288876563 /nfs/dbraw/zinc/87/65/63/1288876563.db2.gz ZIXJEPXNWSFZCZ-UHFFFAOYSA-N -2 3 353.331 0.767 20 0 FCADHL CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609086662 1288911565 /nfs/dbraw/zinc/91/15/65/1288911565.db2.gz OFUBIMAPCLEOCT-CABZTGNLSA-N -2 3 353.404 0.890 20 0 FCADHL CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609086662 1288911575 /nfs/dbraw/zinc/91/15/75/1288911575.db2.gz OFUBIMAPCLEOCT-CABZTGNLSA-N -2 3 353.404 0.890 20 0 FCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[nH]n1 ZINC001609104494 1288922048 /nfs/dbraw/zinc/92/20/48/1288922048.db2.gz VGPZAENBZBGIKO-UHFFFAOYSA-N -2 3 362.375 0.227 20 0 FCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[nH]n1 ZINC001609104494 1288922050 /nfs/dbraw/zinc/92/20/50/1288922050.db2.gz VGPZAENBZBGIKO-UHFFFAOYSA-N -2 3 362.375 0.227 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609142591 1288945168 /nfs/dbraw/zinc/94/51/68/1288945168.db2.gz FBLSDQZAESYJDZ-UHFFFAOYSA-N -2 3 365.415 0.883 20 0 FCADHL CC1(C)CCCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001609145527 1288947174 /nfs/dbraw/zinc/94/71/74/1288947174.db2.gz QNWJDSZPPMSTFJ-NSHDSACASA-N -2 3 366.403 0.526 20 0 FCADHL CC1(C)CCCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001609145527 1288947177 /nfs/dbraw/zinc/94/71/77/1288947177.db2.gz QNWJDSZPPMSTFJ-NSHDSACASA-N -2 3 366.403 0.526 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@@H]1C(=O)[O-] ZINC001609146114 1288948613 /nfs/dbraw/zinc/94/86/13/1288948613.db2.gz RKLDXLCZQDHELS-LLVKDONJSA-N -2 3 351.388 0.741 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@@H]1C(=O)[O-] ZINC001609146114 1288948619 /nfs/dbraw/zinc/94/86/19/1288948619.db2.gz RKLDXLCZQDHELS-LLVKDONJSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609154693 1288954817 /nfs/dbraw/zinc/95/48/17/1288954817.db2.gz HNYQUBXPNFGIEK-ZANVPECISA-N -2 3 363.399 0.677 20 0 FCADHL C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609154693 1288954818 /nfs/dbraw/zinc/95/48/18/1288954818.db2.gz HNYQUBXPNFGIEK-ZANVPECISA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CO1 ZINC001609155335 1288954833 /nfs/dbraw/zinc/95/48/33/1288954833.db2.gz NHCWKZSCKJUJNY-MWLCHTKSSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CO1 ZINC001609155335 1288954836 /nfs/dbraw/zinc/95/48/36/1288954836.db2.gz NHCWKZSCKJUJNY-MWLCHTKSSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CO1 ZINC001609155333 1288954982 /nfs/dbraw/zinc/95/49/82/1288954982.db2.gz NHCWKZSCKJUJNY-GXSJLCMTSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CO1 ZINC001609155333 1288954983 /nfs/dbraw/zinc/95/49/83/1288954983.db2.gz NHCWKZSCKJUJNY-GXSJLCMTSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609154691 1288954985 /nfs/dbraw/zinc/95/49/85/1288954985.db2.gz HNYQUBXPNFGIEK-RNCFNFMXSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609154691 1288954986 /nfs/dbraw/zinc/95/49/86/1288954986.db2.gz HNYQUBXPNFGIEK-RNCFNFMXSA-N -2 3 363.399 0.677 20 0 FCADHL CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001609180766 1288973314 /nfs/dbraw/zinc/97/33/14/1288973314.db2.gz KDCZSCDOZWOODG-SNVBAGLBSA-N -2 3 371.350 0.107 20 0 FCADHL CCC(C)(C)OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609182787 1288975551 /nfs/dbraw/zinc/97/55/51/1288975551.db2.gz HCOVDJQQTHBKTF-UHFFFAOYSA-N -2 3 353.404 0.877 20 0 FCADHL CCC(C)(C)OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609182787 1288975555 /nfs/dbraw/zinc/97/55/55/1288975555.db2.gz HCOVDJQQTHBKTF-UHFFFAOYSA-N -2 3 353.404 0.877 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001609212259 1288988744 /nfs/dbraw/zinc/98/87/44/1288988744.db2.gz XNLGWMAGLLBTRD-QWHCGFSZSA-N -2 3 364.431 0.673 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001609212259 1288988746 /nfs/dbraw/zinc/98/87/46/1288988746.db2.gz XNLGWMAGLLBTRD-QWHCGFSZSA-N -2 3 364.431 0.673 20 0 FCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609231329 1289003885 /nfs/dbraw/zinc/00/38/85/1289003885.db2.gz LJFRBXNYJAPMTK-UHFFFAOYSA-N -2 3 367.387 0.261 20 0 FCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609231329 1289003894 /nfs/dbraw/zinc/00/38/94/1289003894.db2.gz LJFRBXNYJAPMTK-UHFFFAOYSA-N -2 3 367.387 0.261 20 0 FCADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nn1c(=O)[n-][nH]c1=O ZINC001609522190 1289193063 /nfs/dbraw/zinc/19/30/63/1289193063.db2.gz PTFNBRWSPMUIGK-UHFFFAOYSA-N -2 3 360.334 0.189 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCO2 ZINC001609560317 1289224637 /nfs/dbraw/zinc/22/46/37/1289224637.db2.gz HPECFKZNDSYNIF-UHFFFAOYSA-N -2 3 372.366 0.315 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCO2 ZINC001609560317 1289224641 /nfs/dbraw/zinc/22/46/41/1289224641.db2.gz HPECFKZNDSYNIF-UHFFFAOYSA-N -2 3 372.366 0.315 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2n[nH]cc2C1 ZINC001609560600 1289225981 /nfs/dbraw/zinc/22/59/81/1289225981.db2.gz 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3 364.383 0.673 20 0 FCADHL CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)nc1C ZINC000683621312 493360191 /nfs/dbraw/zinc/36/01/91/493360191.db2.gz ULPCLQQQKDEDQC-ZFWWWQNUSA-N -2 3 367.427 0.547 20 0 FCADHL CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)Cc2ccccc2)nc1C ZINC000683621311 493360617 /nfs/dbraw/zinc/36/06/17/493360617.db2.gz ULPCLQQQKDEDQC-UKRRQHHQSA-N -2 3 367.427 0.547 20 0 FCADHL CCOC(=O)c1nc(C2CCN(C(=O)NCCCC(=O)[O-])CC2)n[n-]1 ZINC000581942536 491791116 /nfs/dbraw/zinc/79/11/16/491791116.db2.gz ZVVWGCYAHNMWOT-UHFFFAOYSA-N -2 3 353.379 0.735 20 0 FCADHL CCOC(=O)c1nnc(C2CCN(C(=O)NCCCC(=O)[O-])CC2)[n-]1 ZINC000581942536 491791118 /nfs/dbraw/zinc/79/11/18/491791118.db2.gz ZVVWGCYAHNMWOT-UHFFFAOYSA-N -2 3 353.379 0.735 20 0 FCADHL CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CC1 ZINC000582640776 491820723 /nfs/dbraw/zinc/82/07/23/491820723.db2.gz ORVDOGDQKWRWBR-GFCCVEGCSA-N -2 3 362.429 0.078 20 0 FCADHL CCOC(=O)c1cc([N-]S(=O)(=O)CC2(OCC)CCOCC2)n[n-]1 ZINC000600651226 491871478 /nfs/dbraw/zinc/87/14/78/491871478.db2.gz DITGVWKETJYASK-UHFFFAOYSA-N -2 3 361.420 0.914 20 0 FCADHL O=C([O-])Cn1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000647743819 492353763 /nfs/dbraw/zinc/35/37/63/492353763.db2.gz CFUZHWXUHGTQFZ-CYBMUJFWSA-N -2 3 358.354 0.917 20 0 FCADHL C[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)C[C@H]1C(=O)[O-] ZINC000647747330 492354121 /nfs/dbraw/zinc/35/41/21/492354121.db2.gz ALKJPWBLVMMYKL-WDEREUQCSA-N -2 3 360.457 0.986 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000621566511 492392986 /nfs/dbraw/zinc/39/29/86/492392986.db2.gz QUELDUTYMRVGNY-ZYHUDNBSSA-N -2 3 373.431 0.814 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000621573881 492393854 /nfs/dbraw/zinc/39/38/54/492393854.db2.gz UBAOXAOIHBAKTL-JTQLQIEISA-N -2 3 373.431 0.814 20 0 FCADHL COc1ccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000622000229 492439198 /nfs/dbraw/zinc/43/91/98/492439198.db2.gz BXLXXULPKFMTLN-LLVKDONJSA-N -2 3 350.371 0.796 20 0 FCADHL Cc1cc(C(=O)N2CCOC3(CCN(C)CC3)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000649132255 492503864 /nfs/dbraw/zinc/50/38/64/492503864.db2.gz RTSNVLDCAFZUNJ-UHFFFAOYSA-N -2 3 373.413 0.681 20 0 FCADHL C[C@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656180919 492561886 /nfs/dbraw/zinc/56/18/86/492561886.db2.gz PVNAKUSSSPYSNY-BBBLOLIVSA-N -2 3 363.461 0.617 20 0 FCADHL CC(C)(C)n1nnc(C[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC000656180435 492562230 /nfs/dbraw/zinc/56/22/30/492562230.db2.gz KGLNDBHUUDVTAO-UHFFFAOYSA-N -2 3 353.404 0.746 20 0 FCADHL CC(=O)N1CCc2sc(S(=O)(=O)[N-]CCOCC(=O)[O-])cc2C1 ZINC000656512793 492627329 /nfs/dbraw/zinc/62/73/29/492627329.db2.gz OEDIGCLWSNEAPX-UHFFFAOYSA-N -2 3 362.429 0.032 20 0 FCADHL Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000650399432 492637915 /nfs/dbraw/zinc/63/79/15/492637915.db2.gz OKUPDXKALWQIMD-SSDOTTSWSA-N -2 3 372.321 0.974 20 0 FCADHL COCc1nc(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)n[n-]1 ZINC000657103321 492722385 /nfs/dbraw/zinc/72/23/85/492722385.db2.gz HFGXTDVSSDZRIB-UHFFFAOYSA-N -2 3 351.310 0.843 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cn1 ZINC000625706898 492866320 /nfs/dbraw/zinc/86/63/20/492866320.db2.gz NIAHJRMEERKYCN-UHFFFAOYSA-N -2 3 351.392 0.166 20 0 FCADHL C[C@]1(c2cccc(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)c2)NC(=O)[N-]C1=O ZINC000652123368 492882760 /nfs/dbraw/zinc/88/27/60/492882760.db2.gz LAVCWQAXEMYPEV-IQUTYRLHSA-N -2 3 371.393 0.924 20 0 FCADHL O=C(NC[C@@H]1CSCCN1C(=O)c1ncccc1[O-])c1ncccc1[O-] ZINC000645956099 492992201 /nfs/dbraw/zinc/99/22/01/492992201.db2.gz HCALKLPEDKYCKA-LLVKDONJSA-N -2 3 374.422 0.875 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)C1 ZINC000653311108 493092371 /nfs/dbraw/zinc/09/23/71/493092371.db2.gz MJINOWGDJSOKPR-LLVKDONJSA-N -2 3 357.370 0.496 20 0 FCADHL C[C@@](CCF)(NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-] ZINC000659214842 493169470 /nfs/dbraw/zinc/16/94/70/493169470.db2.gz ZVOBAPXXNMJKQE-INIZCTEOSA-N -2 3 351.334 0.811 20 0 FCADHL C[C@@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CC[C@@H]1C(=O)[O-] ZINC000659224437 493173181 /nfs/dbraw/zinc/17/31/81/493173181.db2.gz FRXKZYRAPRYDHL-LNSDYSHSSA-N -2 3 359.382 0.924 20 0 FCADHL C[C@@H]1CN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CC[C@@H]1C(=O)[O-] ZINC000659224438 493174026 /nfs/dbraw/zinc/17/40/26/493174026.db2.gz FRXKZYRAPRYDHL-SBOFIZKASA-N -2 3 359.382 0.924 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000659778735 493288964 /nfs/dbraw/zinc/28/89/64/493288964.db2.gz SSIKVJOUHGSXDM-SPKLELGKSA-N -2 3 374.393 0.556 20 0 FCADHL O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)NCc1n[nH]c(=O)[n-]1 ZINC000673948575 493376284 /nfs/dbraw/zinc/37/62/84/493376284.db2.gz BVGAMZVVDWYDOE-UHFFFAOYSA-N -2 3 374.382 0.784 20 0 FCADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662946673 493558998 /nfs/dbraw/zinc/55/89/98/493558998.db2.gz XEOJFXZPWZABQQ-UHFFFAOYSA-N -2 3 365.415 0.333 20 0 FCADHL Cc1ccc(C(=O)NCCC(=O)NC2(CC(=O)[O-])CCOCC2)c([O-])c1 ZINC000663122369 493572893 /nfs/dbraw/zinc/57/28/93/493572893.db2.gz FNVJBMDKLOYUFY-UHFFFAOYSA-N -2 3 364.398 0.961 20 0 FCADHL Cn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccn(C(C)(C)C(=O)[O-])n3)cnc21 ZINC000663138650 493574177 /nfs/dbraw/zinc/57/41/77/493574177.db2.gz NFYVDEFXXVTMON-UHFFFAOYSA-N -2 3 372.341 0.303 20 0 FCADHL CCc1nc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])cn1CC1CC1 ZINC000663285470 493581735 /nfs/dbraw/zinc/58/17/35/493581735.db2.gz HADKFTZRJUSUHC-OAHLLOKOSA-N -3 3 373.431 0.699 20 0 FCADHL CCc1nc(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1CC1CC1 ZINC000663289879 493582042 /nfs/dbraw/zinc/58/20/42/493582042.db2.gz YAVWRSWGHWBDII-LBPRGKRZSA-N -2 3 367.431 0.553 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)[N-]CC(F)(F)F)s1 ZINC000442907301 536316806 /nfs/dbraw/zinc/31/68/06/536316806.db2.gz XJHYUVMLNRIGHA-UHFFFAOYSA-N -2 3 367.396 0.143 20 0 FCADHL COC(=O)c1sc2[n-]c(CN3CCOC[C@@H]3C(=O)[O-])nc(=O)c2c1C ZINC000592988789 546681221 /nfs/dbraw/zinc/68/12/21/546681221.db2.gz PGIJJUWZTRHRMH-MRVPVSSYSA-N -2 3 367.383 0.365 20 0 FCADHL CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1 ZINC000594689131 546815576 /nfs/dbraw/zinc/81/55/76/546815576.db2.gz DBADVTMSXFLXMD-OIBJUYFYSA-N -2 3 363.310 0.034 20 0 FCADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000594703165 546816390 /nfs/dbraw/zinc/81/63/90/546816390.db2.gz BFWLDEIPQWXHQG-YGRLFVJLSA-N -2 3 359.400 0.972 20 0 FCADHL COC(=O)Cc1nc([N-]S(=O)(=O)C[C@H](OC)C2CCCCC2)n[n-]1 ZINC000594729553 546823726 /nfs/dbraw/zinc/82/37/26/546823726.db2.gz YAZYAZBAZBELNT-NSHDSACASA-N -2 3 360.436 0.857 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737760113 598842278 /nfs/dbraw/zinc/84/22/78/598842278.db2.gz FYPIWPGSWOKLJS-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737760113 598842279 /nfs/dbraw/zinc/84/22/79/598842279.db2.gz FYPIWPGSWOKLJS-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL CCc1ocnc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736712335 598909976 /nfs/dbraw/zinc/90/99/76/598909976.db2.gz DGIGUPJUTVATKJ-UHFFFAOYSA-N -2 3 362.371 0.677 20 0 FCADHL CCc1ocnc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736712335 598909978 /nfs/dbraw/zinc/90/99/78/598909978.db2.gz DGIGUPJUTVATKJ-UHFFFAOYSA-N -2 3 362.371 0.677 20 0 FCADHL CCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cn1 ZINC000736717428 598924445 /nfs/dbraw/zinc/92/44/45/598924445.db2.gz BQCZCAITCIBYID-UHFFFAOYSA-N -2 3 361.387 0.343 20 0 FCADHL CCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cn1 ZINC000736717428 598924447 /nfs/dbraw/zinc/92/44/47/598924447.db2.gz BQCZCAITCIBYID-UHFFFAOYSA-N -2 3 361.387 0.343 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)nc1Cl ZINC000822684798 607255454 /nfs/dbraw/zinc/25/54/54/607255454.db2.gz IZRPYOQPPOSYKT-UHFFFAOYSA-N -2 3 355.767 0.760 20 0 FCADHL CC(=O)NCCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)C(=O)[O-] ZINC000819752767 597672365 /nfs/dbraw/zinc/67/23/65/597672365.db2.gz GTDRPCNUBKWUHX-MRVPVSSYSA-N -2 3 362.342 0.013 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821088439 607319353 /nfs/dbraw/zinc/31/93/53/607319353.db2.gz OCDHJLNSTUZHDD-JTQLQIEISA-N -2 3 368.419 0.337 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738139001 598332373 /nfs/dbraw/zinc/33/23/73/598332373.db2.gz JQQYHDTZCSJPEV-UHFFFAOYSA-N -2 3 370.394 0.904 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738139001 598332375 /nfs/dbraw/zinc/33/23/75/598332375.db2.gz JQQYHDTZCSJPEV-UHFFFAOYSA-N -2 3 370.394 0.904 20 0 FCADHL CS(=O)(=O)[N-]C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737167217 598363661 /nfs/dbraw/zinc/36/36/61/598363661.db2.gz UFCWMXXHXCDPKV-UHFFFAOYSA-N -2 3 363.355 0.728 20 0 FCADHL CS(=O)(=O)[N-]C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737167217 598363662 /nfs/dbraw/zinc/36/36/62/598363662.db2.gz UFCWMXXHXCDPKV-UHFFFAOYSA-N -2 3 363.355 0.728 20 0 FCADHL Cc1ccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737370928 598492764 /nfs/dbraw/zinc/49/27/64/598492764.db2.gz ZBORERDYUUXQSD-VWLOTQADSA-N -2 3 356.411 0.994 20 0 FCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736932086 598789166 /nfs/dbraw/zinc/78/91/66/598789166.db2.gz FBMICJMVKYXANH-UHFFFAOYSA-N -2 3 363.359 0.037 20 0 FCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736932086 598789168 /nfs/dbraw/zinc/78/91/68/598789168.db2.gz FBMICJMVKYXANH-UHFFFAOYSA-N -2 3 363.359 0.037 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737489946 598799420 /nfs/dbraw/zinc/79/94/20/598799420.db2.gz OHNGSIDZJULUMC-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737489946 598799421 /nfs/dbraw/zinc/79/94/21/598799421.db2.gz OHNGSIDZJULUMC-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL CCCCOCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736459280 599339436 /nfs/dbraw/zinc/33/94/36/599339436.db2.gz AFDWBQVAWAGBDP-UHFFFAOYSA-N -2 3 353.404 0.629 20 0 FCADHL CCCCOCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736459280 599339439 /nfs/dbraw/zinc/33/94/39/599339439.db2.gz AFDWBQVAWAGBDP-UHFFFAOYSA-N -2 3 353.404 0.629 20 0 FCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821904605 599625642 /nfs/dbraw/zinc/62/56/42/599625642.db2.gz YKAYPJDJYMEBOV-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821904605 599625643 /nfs/dbraw/zinc/62/56/43/599625643.db2.gz YKAYPJDJYMEBOV-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCN2C(=O)Cc3ccccc32)o1 ZINC000740176674 599776972 /nfs/dbraw/zinc/77/69/72/599776972.db2.gz PAESEGTTXBQDTR-UHFFFAOYSA-N -2 3 350.352 0.845 20 0 FCADHL CC(C)(C)NS(=O)(=O)c1cccc([N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC000736262781 599875401 /nfs/dbraw/zinc/87/54/01/599875401.db2.gz SGBQUVWREXCKMJ-UHFFFAOYSA-N -2 3 364.445 0.980 20 0 FCADHL COC(=O)Cc1nc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)n[n-]1 ZINC000737630770 600182556 /nfs/dbraw/zinc/18/25/56/600182556.db2.gz JZWCGJLDMKDMCR-UHFFFAOYSA-N -2 3 357.326 0.812 20 0 FCADHL CC1(C)c2cc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)ccc2NC1=O ZINC000824784342 607461527 /nfs/dbraw/zinc/46/15/27/607461527.db2.gz QZVZSQDDADWBNC-UHFFFAOYSA-N -2 3 374.386 0.620 20 0 FCADHL COc1cc(F)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1OC ZINC000826180142 607461786 /nfs/dbraw/zinc/46/17/86/607461786.db2.gz UHKSUVUWZNCKNY-UHFFFAOYSA-N -2 3 369.338 0.547 20 0 FCADHL NC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833082727 600711263 /nfs/dbraw/zinc/71/12/63/600711263.db2.gz YQZQVJHWMFDGHB-UHFFFAOYSA-N -2 3 369.168 0.440 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@@](C)(C(N)=O)c2ccccc2)cc1C(=O)[O-] ZINC000833028704 601219698 /nfs/dbraw/zinc/21/96/98/601219698.db2.gz OFGBBVHQIPBHPG-OAHLLOKOSA-N -2 3 352.368 0.965 20 0 FCADHL CC(=O)N1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000324858455 601228501 /nfs/dbraw/zinc/22/85/01/601228501.db2.gz ILNNIBRCZVFRKG-UHFFFAOYSA-N -2 3 362.354 0.952 20 0 FCADHL C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391797504 601231625 /nfs/dbraw/zinc/23/16/25/601231625.db2.gz DJJZXQXRHVKTMM-QMMMGPOBSA-N -2 3 362.354 0.952 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCNc2cnccn2)c1F ZINC000833293715 601233108 /nfs/dbraw/zinc/23/31/08/601233108.db2.gz GDHREWKPWJTCBL-UHFFFAOYSA-N -2 3 358.326 0.843 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)o1 ZINC000831029434 601291439 /nfs/dbraw/zinc/29/14/39/601291439.db2.gz RURCPAHZXROOPJ-SNVBAGLBSA-N -2 3 373.431 0.117 20 0 FCADHL O=C([O-])[C@]1(F)CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000833110199 601717914 /nfs/dbraw/zinc/71/79/14/601717914.db2.gz LTLCRAIYFJLMGG-NSHDSACASA-N -2 3 370.811 0.705 20 0 FCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000829865484 601835935 /nfs/dbraw/zinc/83/59/35/601835935.db2.gz DUTSLIUPIUKAJF-LLVKDONJSA-N -2 3 350.437 0.595 20 0 FCADHL CCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313554 602141251 /nfs/dbraw/zinc/14/12/51/602141251.db2.gz UZGNJENENOKENM-UHFFFAOYSA-N -2 3 355.166 0.155 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2COCCO2)c(Br)o1 ZINC000055329678 602146769 /nfs/dbraw/zinc/14/67/69/602146769.db2.gz UQQLGYSIJGXYHW-ZCFIWIBFSA-N -2 3 370.177 0.434 20 0 FCADHL C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000262685011 602252179 /nfs/dbraw/zinc/25/21/79/602252179.db2.gz CYSPMPITEMQLLN-RXMQYKEDSA-N -2 3 371.234 0.378 20 0 FCADHL O=S(=O)([N-]C[C@@H](O)c1ccco1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489019 607627052 /nfs/dbraw/zinc/62/70/52/607627052.db2.gz FUXWYPLZNBIRDO-SNVBAGLBSA-N -2 3 371.325 0.750 20 0 FCADHL O=S(=O)([N-]C[C@H](O)c1ccco1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489018 607627384 /nfs/dbraw/zinc/62/73/84/607627384.db2.gz FUXWYPLZNBIRDO-JTQLQIEISA-N -2 3 371.325 0.750 20 0 FCADHL C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C[C@H](C)O ZINC000824686865 607641522 /nfs/dbraw/zinc/64/15/22/607641522.db2.gz CSPPVHHBFALLLV-SFYZADRCSA-N -2 3 361.374 0.830 20 0 FCADHL O=S(=O)([N-]C[C@H]1CCCC[C@@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489913 607644607 /nfs/dbraw/zinc/64/46/07/607644607.db2.gz DGWXNXHRNUTWMD-PELKAZGASA-N -2 3 373.385 0.974 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H]1CN(C)CCO1 ZINC000827760682 604417609 /nfs/dbraw/zinc/41/76/09/604417609.db2.gz OIKYJDTZILZHRD-WPRPVWTQSA-N -2 3 364.370 0.660 20 0 FCADHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccncc2F)c1 ZINC000833714893 604884373 /nfs/dbraw/zinc/88/43/73/604884373.db2.gz JYSXEODGTSACOZ-UHFFFAOYSA-N -2 3 354.315 0.928 20 0 FCADHL CC(C)(NC(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000833461321 605103596 /nfs/dbraw/zinc/10/35/96/605103596.db2.gz MUXRAZYNEDCUGA-UHFFFAOYSA-N -2 3 369.852 0.842 20 0 FCADHL CCOC(=O)Cn1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1=O ZINC000833659248 605189757 /nfs/dbraw/zinc/18/97/57/605189757.db2.gz SLDXZIOKUJVEPF-UHFFFAOYSA-N -2 3 370.339 0.503 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000822645691 606408248 /nfs/dbraw/zinc/40/82/48/606408248.db2.gz KTWBTUNQGVQCPG-UHFFFAOYSA-N -2 3 373.398 0.243 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000822645691 606408249 /nfs/dbraw/zinc/40/82/49/606408249.db2.gz KTWBTUNQGVQCPG-UHFFFAOYSA-N -2 3 373.398 0.243 20 0 FCADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822379232 606467624 /nfs/dbraw/zinc/46/76/24/606467624.db2.gz MQWIBHFWGBHHHX-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822379232 606467625 /nfs/dbraw/zinc/46/76/25/606467625.db2.gz MQWIBHFWGBHHHX-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821670041 606709163 /nfs/dbraw/zinc/70/91/63/606709163.db2.gz KDJFGWYEQHPOEO-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821681902 606747771 /nfs/dbraw/zinc/74/77/71/606747771.db2.gz VDDLTBFEIATPFO-MRVPVSSYSA-N -2 3 373.822 0.998 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821681902 606747773 /nfs/dbraw/zinc/74/77/73/606747773.db2.gz VDDLTBFEIATPFO-MRVPVSSYSA-N -2 3 373.822 0.998 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822940943 606748034 /nfs/dbraw/zinc/74/80/34/606748034.db2.gz KSEYEAIUTUURLV-CYBMUJFWSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822940943 606748035 /nfs/dbraw/zinc/74/80/35/606748035.db2.gz KSEYEAIUTUURLV-CYBMUJFWSA-N -2 3 365.415 0.772 20 0 FCADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000821588527 606820186 /nfs/dbraw/zinc/82/01/86/606820186.db2.gz XAUFGYMVUBYDIO-NSHDSACASA-N -2 3 352.420 0.853 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820971846 606839230 /nfs/dbraw/zinc/83/92/30/606839230.db2.gz HALIJQDXDRQCMS-CMPLNLGQSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971846 606839231 /nfs/dbraw/zinc/83/92/31/606839231.db2.gz HALIJQDXDRQCMS-CMPLNLGQSA-N -2 3 351.388 0.629 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CCCO1 ZINC000820438007 606883951 /nfs/dbraw/zinc/88/39/51/606883951.db2.gz GAMNUGFWDUSHAY-WRWORJQWSA-N -2 3 359.358 0.991 20 0 FCADHL CN1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821623418 606886659 /nfs/dbraw/zinc/88/66/59/606886659.db2.gz LEYUVSHNOMFUNH-SECBINFHSA-N -2 3 358.374 0.517 20 0 FCADHL CN1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCC1=O ZINC000821621711 606892034 /nfs/dbraw/zinc/89/20/34/606892034.db2.gz CSSOLZZWRKHWPS-MRVPVSSYSA-N -2 3 372.357 0.044 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cncc(F)c1 ZINC000823285364 607096054 /nfs/dbraw/zinc/09/60/54/607096054.db2.gz RBTWHCZAQBJDRX-UHFFFAOYSA-N -2 3 362.346 0.661 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cncc(F)c1 ZINC000823285364 607096056 /nfs/dbraw/zinc/09/60/56/607096056.db2.gz RBTWHCZAQBJDRX-UHFFFAOYSA-N -2 3 362.346 0.661 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CCC(=O)[O-])C1CC1 ZINC000821700555 607102907 /nfs/dbraw/zinc/10/29/07/607102907.db2.gz RSXXNNILDJTALM-UHFFFAOYSA-N -2 3 361.358 0.720 20 0 FCADHL COCCN(CCC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821688908 607104902 /nfs/dbraw/zinc/10/49/02/607104902.db2.gz BZFOXMHGZXUHNP-NSHDSACASA-N -2 3 363.374 0.584 20 0 FCADHL COCCN(CCC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821688908 607104904 /nfs/dbraw/zinc/10/49/04/607104904.db2.gz BZFOXMHGZXUHNP-NSHDSACASA-N -2 3 363.374 0.584 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000821701143 607108694 /nfs/dbraw/zinc/10/86/94/607108694.db2.gz CVNULNQIUFYRHI-UHFFFAOYSA-N -2 3 373.329 0.174 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000820542863 607110574 /nfs/dbraw/zinc/11/05/74/607110574.db2.gz RRKVTDJZTPTFFX-QWRGUYRKSA-N -2 3 361.358 0.336 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000820542863 607110575 /nfs/dbraw/zinc/11/05/75/607110575.db2.gz RRKVTDJZTPTFFX-QWRGUYRKSA-N -2 3 361.358 0.336 20 0 FCADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822553631 607172272 /nfs/dbraw/zinc/17/22/72/607172272.db2.gz NXYJKYIBOFZRKF-UHFFFAOYSA-N -2 3 365.400 0.531 20 0 FCADHL Cc1cncc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1 ZINC000822400055 607184890 /nfs/dbraw/zinc/18/48/90/607184890.db2.gz VDNRFDBCFFCTNN-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cncc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1 ZINC000822400055 607184891 /nfs/dbraw/zinc/18/48/91/607184891.db2.gz VDNRFDBCFFCTNN-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826403269 607985554 /nfs/dbraw/zinc/98/55/54/607985554.db2.gz NVVUWKYQURTOGJ-SREVYHEPSA-N -2 3 356.367 0.780 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826403269 607985555 /nfs/dbraw/zinc/98/55/55/607985555.db2.gz NVVUWKYQURTOGJ-SREVYHEPSA-N -2 3 356.367 0.780 20 0 FCADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826409231 607988147 /nfs/dbraw/zinc/98/81/47/607988147.db2.gz NUHKNSXIRILJRA-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826409231 607988148 /nfs/dbraw/zinc/98/81/48/607988148.db2.gz NUHKNSXIRILJRA-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826461019 608010137 /nfs/dbraw/zinc/01/01/37/608010137.db2.gz BZJWEEKDYKQCHX-ZDUSSCGKSA-N -2 3 359.367 0.971 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826461019 608010138 /nfs/dbraw/zinc/01/01/38/608010138.db2.gz BZJWEEKDYKQCHX-ZDUSSCGKSA-N -2 3 359.367 0.971 20 0 FCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825074980 608144599 /nfs/dbraw/zinc/14/45/99/608144599.db2.gz MERDZRPPBCFPAP-UWVGGRQHSA-N -2 3 353.404 0.879 20 0 FCADHL O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)c1n[nH]c(=O)[n-]1 ZINC000826430231 608607083 /nfs/dbraw/zinc/60/70/83/608607083.db2.gz XFCOCBPLNOSGFI-UHFFFAOYSA-N -2 3 371.361 0.205 20 0 FCADHL O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)c1n[nH]c(=O)[n-]1 ZINC000826430231 608607085 /nfs/dbraw/zinc/60/70/85/608607085.db2.gz XFCOCBPLNOSGFI-UHFFFAOYSA-N -2 3 371.361 0.205 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826221996 608819847 /nfs/dbraw/zinc/81/98/47/608819847.db2.gz DFOGVDAOZFFNDU-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826221996 608819850 /nfs/dbraw/zinc/81/98/50/608819850.db2.gz DFOGVDAOZFFNDU-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CSCCS1 ZINC000826450275 609139983 /nfs/dbraw/zinc/13/99/83/609139983.db2.gz DUSLPWFIMAGEOJ-JTQLQIEISA-N -2 3 371.469 0.520 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CSCCS1 ZINC000826450275 609139984 /nfs/dbraw/zinc/13/99/84/609139984.db2.gz DUSLPWFIMAGEOJ-JTQLQIEISA-N -2 3 371.469 0.520 20 0 FCADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824464118 609254371 /nfs/dbraw/zinc/25/43/71/609254371.db2.gz DREMZDXJZOXXSB-UHFFFAOYSA-N -2 3 350.187 0.865 20 0 FCADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824464118 609254373 /nfs/dbraw/zinc/25/43/73/609254373.db2.gz DREMZDXJZOXXSB-UHFFFAOYSA-N -2 3 350.187 0.865 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824961600 609312846 /nfs/dbraw/zinc/31/28/46/609312846.db2.gz DOMIEKOXWPQPQN-VIFPVBQESA-N -2 3 354.440 0.817 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824961600 609312848 /nfs/dbraw/zinc/31/28/48/609312848.db2.gz DOMIEKOXWPQPQN-VIFPVBQESA-N -2 3 354.440 0.817 20 0 FCADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCO2 ZINC000826492768 609338733 /nfs/dbraw/zinc/33/87/33/609338733.db2.gz CEQNYOUEQJTLOQ-UHFFFAOYSA-N -2 3 352.357 0.853 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCCOC1 ZINC000824784329 609352120 /nfs/dbraw/zinc/35/21/20/609352120.db2.gz QQEMHENOTFYBCC-CQSZACIVSA-N -2 3 351.388 0.488 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCCOC1 ZINC000824784329 609352122 /nfs/dbraw/zinc/35/21/22/609352122.db2.gz QQEMHENOTFYBCC-CQSZACIVSA-N -2 3 351.388 0.488 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826155530 609386108 /nfs/dbraw/zinc/38/61/08/609386108.db2.gz SVDOTDYBHBVOSO-SNVBAGLBSA-N -2 3 353.404 0.734 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826155530 609386110 /nfs/dbraw/zinc/38/61/10/609386110.db2.gz SVDOTDYBHBVOSO-SNVBAGLBSA-N -2 3 353.404 0.734 20 0 FCADHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)c1 ZINC000065832949 663958902 /nfs/dbraw/zinc/95/89/02/663958902.db2.gz KFVYBTZAESWCOZ-UHFFFAOYSA-N -4 3 371.371 0.518 20 0 FCADHL COCCOc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc1 ZINC000026527056 664299408 /nfs/dbraw/zinc/29/94/08/664299408.db2.gz BLLGJRWSWVGYFI-UHFFFAOYSA-N -2 3 351.384 0.730 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H](C)CC(=O)[O-])CCCC1 ZINC000262902076 665217011 /nfs/dbraw/zinc/21/70/11/665217011.db2.gz BMOGXCVZSRTVQG-VIFPVBQESA-N -2 3 373.431 0.862 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000263330114 665251465 /nfs/dbraw/zinc/25/14/65/665251465.db2.gz LJDRPWAIJNGRHW-HTQZYQBOSA-N -2 3 374.191 0.281 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)COc2ccc(F)cc2)o1 ZINC000031479845 666042319 /nfs/dbraw/zinc/04/23/19/666042319.db2.gz OSTPMKHHWHZNHO-UHFFFAOYSA-N -2 3 371.346 0.167 20 0 FCADHL C=CCNC(=O)c1cccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c1 ZINC000055546263 666543023 /nfs/dbraw/zinc/54/30/23/666543023.db2.gz JLBSCPOCZHTVNM-UHFFFAOYSA-N -2 3 360.395 0.621 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCS(=O)(=O)C2)c(F)cc1F ZINC000761294553 667885409 /nfs/dbraw/zinc/88/54/09/667885409.db2.gz XOJQGPMQANRGTE-SSDOTTSWSA-N -2 3 369.367 0.519 20 0 FCADHL CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000737865717 667889652 /nfs/dbraw/zinc/88/96/52/667889652.db2.gz UBKWWAOINHPOMB-KBPBESRZSA-N -2 3 370.427 0.544 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)c(C)o1 ZINC000763228161 667946589 /nfs/dbraw/zinc/94/65/89/667946589.db2.gz AEDYDLWINXUQCK-UHFFFAOYSA-N -2 3 363.351 0.437 20 0 FCADHL COc1cc[n-]c(=NNS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)n1 ZINC000765038111 667999076 /nfs/dbraw/zinc/99/90/76/667999076.db2.gz LGTXRFAVAYRITR-UHFFFAOYSA-N -2 3 353.360 0.455 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000776503186 668266702 /nfs/dbraw/zinc/26/67/02/668266702.db2.gz ODCHZTPANJSUIQ-JOYOIKCWSA-N -2 3 361.347 0.380 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCC1 ZINC000776583856 668274430 /nfs/dbraw/zinc/27/44/30/668274430.db2.gz NKHVENVOBOSOSR-UHFFFAOYSA-N -2 3 359.404 0.818 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000776626988 668280568 /nfs/dbraw/zinc/28/05/68/668280568.db2.gz RLFBVYMXPGCFHL-SSDOTTSWSA-N -2 3 353.299 0.129 20 0 FCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC)c1 ZINC000794764926 668995550 /nfs/dbraw/zinc/99/55/50/668995550.db2.gz XTKKLSZNPBRLNX-JTQLQIEISA-N -2 3 363.363 0.770 20 0 FCADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)ccc1[O-] ZINC000821090158 669155760 /nfs/dbraw/zinc/15/57/60/669155760.db2.gz SRZQOPKQHUYXHJ-UHFFFAOYSA-N -3 3 354.344 0.583 20 0 FCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821634953 669208731 /nfs/dbraw/zinc/20/87/31/669208731.db2.gz CMNAXSZGQUYMFH-UHFFFAOYSA-N -2 3 365.400 0.484 20 0 FCADHL COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821657685 669209559 /nfs/dbraw/zinc/20/95/59/669209559.db2.gz TWSONZKJDHKNDD-VIFPVBQESA-N -2 3 367.387 0.012 20 0 FCADHL COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821657685 669209562 /nfs/dbraw/zinc/20/95/62/669209562.db2.gz TWSONZKJDHKNDD-VIFPVBQESA-N -2 3 367.387 0.012 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824867643 669421961 /nfs/dbraw/zinc/42/19/61/669421961.db2.gz PXUFIGNJAYUWBJ-ZWNOBZJWSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824867643 669421963 /nfs/dbraw/zinc/42/19/63/669421963.db2.gz PXUFIGNJAYUWBJ-ZWNOBZJWSA-N -2 3 365.415 0.628 20 0 FCADHL CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825980895 669476002 /nfs/dbraw/zinc/47/60/02/669476002.db2.gz KYZIGBBXAYDPGG-UHFFFAOYSA-N -2 3 361.387 0.301 20 0 FCADHL CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825980895 669476007 /nfs/dbraw/zinc/47/60/07/669476007.db2.gz KYZIGBBXAYDPGG-UHFFFAOYSA-N -2 3 361.387 0.301 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc(=O)[nH]1 ZINC000826260358 669488934 /nfs/dbraw/zinc/48/89/34/669488934.db2.gz KJISCOJNUUBQJD-UHFFFAOYSA-N -2 3 360.355 0.394 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc(=O)[nH]1 ZINC000826260358 669488941 /nfs/dbraw/zinc/48/89/41/669488941.db2.gz KJISCOJNUUBQJD-UHFFFAOYSA-N -2 3 360.355 0.394 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000826279099 669489368 /nfs/dbraw/zinc/48/93/68/669489368.db2.gz FPBKUWTYOJAHOU-ZYHUDNBSSA-N -2 3 365.415 0.795 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000826279099 669489374 /nfs/dbraw/zinc/48/93/74/669489374.db2.gz FPBKUWTYOJAHOU-ZYHUDNBSSA-N -2 3 365.415 0.795 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1F ZINC000817873430 670045860 /nfs/dbraw/zinc/04/58/60/670045860.db2.gz LGVOKQSZNURSJQ-GXSJLCMTSA-N -2 3 358.391 0.917 20 0 FCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000846003037 671065173 /nfs/dbraw/zinc/06/51/73/671065173.db2.gz QHPNLBVZLIGFFN-UHFFFAOYSA-N -2 3 355.185 0.934 20 0 FCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000846004118 671065899 /nfs/dbraw/zinc/06/58/99/671065899.db2.gz YVQBQEJMKAPAJB-UHFFFAOYSA-N -2 3 352.315 0.097 20 0 FCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c1 ZINC000848677450 671289655 /nfs/dbraw/zinc/28/96/55/671289655.db2.gz FBSRDVIZEBZFBT-AWEZNQCLSA-N -2 3 361.347 0.443 20 0 FCADHL CCc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n[nH]1 ZINC000851701452 671460727 /nfs/dbraw/zinc/46/07/27/671460727.db2.gz GRRGKPUZFUEDTO-SCZZXKLOSA-N -2 3 362.308 0.708 20 0 FCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H]2CC=C(C(=O)[O-])C2)s1 ZINC000853070652 671536586 /nfs/dbraw/zinc/53/65/86/671536586.db2.gz ZWKLXCBJMMQIBR-QMMMGPOBSA-N -2 3 361.397 0.995 20 0 FCADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001170376363 1201209779 /nfs/dbraw/zinc/20/97/79/1201209779.db2.gz YWRZSQSONAQVBC-LBPRGKRZSA-N -2 3 373.348 0.752 20 0 FCADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCOC[C@H]2c2nn[n-]n2)n1 ZINC001170376363 1201209781 /nfs/dbraw/zinc/20/97/81/1201209781.db2.gz YWRZSQSONAQVBC-LBPRGKRZSA-N -2 3 373.348 0.752 20 0 FCADHL O=C1NCCc2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)c21 ZINC001185609057 1206483614 /nfs/dbraw/zinc/48/36/14/1206483614.db2.gz FAGOPESRHUNCLI-UHFFFAOYSA-N -2 3 370.394 0.953 20 0 FCADHL O=C1NCCc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)c21 ZINC001185609057 1206483616 /nfs/dbraw/zinc/48/36/16/1206483616.db2.gz FAGOPESRHUNCLI-UHFFFAOYSA-N -2 3 370.394 0.953 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC001185622171 1206484120 /nfs/dbraw/zinc/48/41/20/1206484120.db2.gz JQVYHNNPWIJSEK-ZDUSSCGKSA-N -2 3 374.382 0.454 20 0 FCADHL CCOC(=O)c1cc(C(=O)OCC)c(OC(=O)[C@H](O)CC(=O)[O-])cc1[O-] ZINC001225841095 1225825890 /nfs/dbraw/zinc/82/58/90/1225825890.db2.gz RJZLEKUFLUYMFM-LLVKDONJSA-N -2 3 370.310 0.487 20 0 FCADHL O=C([O-])C[C@@H](O)C(=O)Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230188037 1226061793 /nfs/dbraw/zinc/06/17/93/1226061793.db2.gz FOIADMMFYYMKGD-CQSZACIVSA-N -2 3 373.365 0.482 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)c1[O-] ZINC000993913080 1250063263 /nfs/dbraw/zinc/06/32/63/1250063263.db2.gz RMMXBBOLDSZJAS-PSASIEDQSA-N -2 3 360.374 0.057 20 0 FCADHL Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c(C)nc[n-]c3=O)C2)c1[O-] ZINC000939218991 1246010547 /nfs/dbraw/zinc/01/05/47/1246010547.db2.gz HGWMJKINMZDAFW-GMSGAONNSA-N -2 3 360.374 0.118 20 0 FCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])c1cnc[n-]c1=O ZINC001003588873 1252986841 /nfs/dbraw/zinc/98/68/41/1252986841.db2.gz XAFPQWUWYAJCQZ-JLLWLGSASA-N -2 3 355.354 0.458 20 0 FCADHL C[C@H]1[C@H]([N-]S(=O)(=O)Cc2ccccc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001260696175 1260064078 /nfs/dbraw/zinc/06/40/78/1260064078.db2.gz FKLXBFRHTMOJRV-XVKPBYJWSA-N -2 3 368.820 0.162 20 0 FCADHL Cc1ccc(C(=O)NCCC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c([O-])c1 ZINC001549305915 1267900310 /nfs/dbraw/zinc/90/03/10/1267900310.db2.gz MGEDKTGIZHJCBQ-XIKOKIGWSA-N -2 3 362.382 0.380 20 0 FCADHL CSc1nc(C)c(CCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(=O)[n-]1 ZINC001338793593 1268096229 /nfs/dbraw/zinc/09/62/29/1268096229.db2.gz RMKOMPOHWAIOBG-JTQLQIEISA-N -2 3 365.419 0.258 20 0 FCADHL CSc1nc(C)c(CCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(=O)[n-]1 ZINC001338793593 1268096244 /nfs/dbraw/zinc/09/62/44/1268096244.db2.gz RMKOMPOHWAIOBG-JTQLQIEISA-N -2 3 365.419 0.258 20 0 FCADHL C[C@H](C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574544817 1271330102 /nfs/dbraw/zinc/33/01/02/1271330102.db2.gz UUWVKLKAYOHJJT-VHSXEESVSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@H](C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574544817 1271330111 /nfs/dbraw/zinc/33/01/11/1271330111.db2.gz UUWVKLKAYOHJJT-VHSXEESVSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@@H](C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574548122 1271337236 /nfs/dbraw/zinc/33/72/36/1271337236.db2.gz WNJHRYXGQFAFTF-UWVGGRQHSA-N -2 3 369.389 0.188 20 0 FCADHL C[C@H](CN(C)c1ccc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574794072 1271530373 /nfs/dbraw/zinc/53/03/73/1271530373.db2.gz CWTKDMROINJTTI-SNVBAGLBSA-N -2 3 354.374 0.617 20 0 FCADHL C[C@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574811518 1271551832 /nfs/dbraw/zinc/55/18/32/1271551832.db2.gz SHDBFNOILIFBLY-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574811518 1271551840 /nfs/dbraw/zinc/55/18/40/1271551840.db2.gz SHDBFNOILIFBLY-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1[O-] ZINC001574812254 1271554036 /nfs/dbraw/zinc/55/40/36/1271554036.db2.gz FRZFCAMBNRJCMT-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574812254 1271554041 /nfs/dbraw/zinc/55/40/41/1271554041.db2.gz FRZFCAMBNRJCMT-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1[O-] ZINC001574826890 1271573228 /nfs/dbraw/zinc/57/32/28/1271573228.db2.gz LKSMEFABZMBNHN-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)c1ncccc1[O-] ZINC001574826890 1271573231 /nfs/dbraw/zinc/57/32/31/1271573231.db2.gz LKSMEFABZMBNHN-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575325110 1271930070 /nfs/dbraw/zinc/93/00/70/1271930070.db2.gz OJHYDCBREDEKDI-BDAKNGLRSA-N -2 3 370.373 0.232 20 0 FCADHL C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001575438997 1272109623 /nfs/dbraw/zinc/10/96/23/1272109623.db2.gz RPJUWNQOPGOZOI-VHSXEESVSA-N -2 3 354.374 0.859 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575844695 1272519994 /nfs/dbraw/zinc/51/99/94/1272519994.db2.gz YWAIFAPKSGSVSG-KRWDZBQOSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575844695 1272519999 /nfs/dbraw/zinc/51/99/99/1272519999.db2.gz YWAIFAPKSGSVSG-KRWDZBQOSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001576353598 1273178868 /nfs/dbraw/zinc/17/88/68/1273178868.db2.gz UDRMZQMBFPPRMK-MFKMUULPSA-N -2 3 366.385 0.935 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576353598 1273178871 /nfs/dbraw/zinc/17/88/71/1273178871.db2.gz UDRMZQMBFPPRMK-MFKMUULPSA-N -2 3 366.385 0.935 20 0 FCADHL CC[C@](C)(CC(=O)OC)NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576545487 1273430642 /nfs/dbraw/zinc/43/06/42/1273430642.db2.gz IVNQHINQYHVRIA-OAHLLOKOSA-N -2 3 360.378 0.436 20 0 FCADHL CCc1nc(NCCN(C)C(=O)c2ncccc2[O-])cc(-c2nnn[n-]2)n1 ZINC001578663726 1276115466 /nfs/dbraw/zinc/11/54/66/1276115466.db2.gz WEWZOIVFGCBJMQ-UHFFFAOYSA-N -2 3 369.389 0.504 20 0 FCADHL CCc1nc(NCCN(C)C(=O)c2ncccc2[O-])cc(-c2nn[n-]n2)n1 ZINC001578663726 1276115467 /nfs/dbraw/zinc/11/54/67/1276115467.db2.gz WEWZOIVFGCBJMQ-UHFFFAOYSA-N -2 3 369.389 0.504 20 0 FCADHL CN1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C[C@@H]1C(C)(C)C ZINC001579378048 1277259324 /nfs/dbraw/zinc/25/93/24/1277259324.db2.gz XSQRRJIYJAKPJA-CYBMUJFWSA-N -2 3 371.449 0.777 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001579465422 1277360380 /nfs/dbraw/zinc/36/03/80/1277360380.db2.gz CITVFBDWILCCNE-LBPRGKRZSA-N -2 3 374.382 0.454 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001579465422 1277360388 /nfs/dbraw/zinc/36/03/88/1277360388.db2.gz CITVFBDWILCCNE-LBPRGKRZSA-N -2 3 374.382 0.454 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001579488764 1277401351 /nfs/dbraw/zinc/40/13/51/1277401351.db2.gz PSZBEFSXDRQDID-UHFFFAOYSA-N -2 3 363.355 0.725 20 0 FCADHL CC(C)(C)OC(=O)N1CCC[C@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001603413163 1287369675 /nfs/dbraw/zinc/36/96/75/1287369675.db2.gz KDVBUEBBKCOSQY-VIFPVBQESA-N -2 3 374.419 0.786 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)C)c1[O-] ZINC001581391597 1279821754 /nfs/dbraw/zinc/82/17/54/1279821754.db2.gz KTFUQCJUKKWOHK-SECBINFHSA-N -2 3 372.393 0.260 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2ncccc2-c2nn[n-]n2)C2CC2)c1[O-] ZINC001581391929 1279823303 /nfs/dbraw/zinc/82/33/03/1279823303.db2.gz OZONFTHWVFUYKI-NSHDSACASA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1[O-] ZINC001581391840 1279824161 /nfs/dbraw/zinc/82/41/61/1279824161.db2.gz YFUSZNDVZILJCE-INIZCTEOSA-N -2 3 369.389 0.398 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1[O-] ZINC001581391840 1279824169 /nfs/dbraw/zinc/82/41/69/1279824169.db2.gz YFUSZNDVZILJCE-INIZCTEOSA-N -2 3 369.389 0.398 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)[C@@H]2C)c1[O-] ZINC001581392989 1279830268 /nfs/dbraw/zinc/83/02/68/1279830268.db2.gz XMMOMAWMEZEOCT-KOLCDFICSA-N -2 3 369.389 0.396 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CNc2snc(C)c2-c2nnn[n-]2)c1[O-] ZINC001581393019 1279831728 /nfs/dbraw/zinc/83/17/28/1279831728.db2.gz ZCKXDFOCTFYHCR-RXMQYKEDSA-N -2 3 363.407 0.599 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CNc2snc(C)c2-c2nn[n-]n2)c1[O-] ZINC001581393019 1279831736 /nfs/dbraw/zinc/83/17/36/1279831736.db2.gz ZCKXDFOCTFYHCR-RXMQYKEDSA-N -2 3 363.407 0.599 20 0 FCADHL NC(=O)[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001581900731 1280692093 /nfs/dbraw/zinc/69/20/93/1280692093.db2.gz TYUCFSUPRRTRMJ-POYBYMJQSA-N -2 3 372.357 0.077 20 0 FCADHL O=C(CNC(=O)c1ccc(F)cc1F)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001582108987 1281062288 /nfs/dbraw/zinc/06/22/88/1281062288.db2.gz KAZOVIUOAZSWTB-UHFFFAOYSA-N -2 3 374.307 0.985 20 0 FCADHL O=C(CNC(=O)c1ccc(F)cc1F)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001582108987 1281062291 /nfs/dbraw/zinc/06/22/91/1281062291.db2.gz KAZOVIUOAZSWTB-UHFFFAOYSA-N -2 3 374.307 0.985 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001582133689 1281089911 /nfs/dbraw/zinc/08/99/11/1281089911.db2.gz QUWYTXYASXHRIQ-SNVBAGLBSA-N -2 3 358.387 0.066 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001582133689 1281089919 /nfs/dbraw/zinc/08/99/19/1281089919.db2.gz QUWYTXYASXHRIQ-SNVBAGLBSA-N -2 3 358.387 0.066 20 0 FCADHL CC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001603748423 1287486689 /nfs/dbraw/zinc/48/66/89/1287486689.db2.gz PPLNLKSYOXIALW-UHFFFAOYSA-N -2 3 358.330 0.502 20 0 FCADHL CC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001603748423 1287486693 /nfs/dbraw/zinc/48/66/93/1287486693.db2.gz PPLNLKSYOXIALW-UHFFFAOYSA-N -2 3 358.330 0.502 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001603751791 1287487148 /nfs/dbraw/zinc/48/71/48/1287487148.db2.gz NGDXWXWFUXBWGL-CQSZACIVSA-N -2 3 369.378 0.881 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001603751791 1287487152 /nfs/dbraw/zinc/48/71/52/1287487152.db2.gz NGDXWXWFUXBWGL-CQSZACIVSA-N -2 3 369.378 0.881 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001582338638 1281371940 /nfs/dbraw/zinc/37/19/40/1281371940.db2.gz JKVJWOOSWMFWHE-UHFFFAOYSA-N -2 3 365.353 0.286 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C(=O)[O-])CO1 ZINC001603785983 1287496258 /nfs/dbraw/zinc/49/62/58/1287496258.db2.gz ULFAHTRUGVHGLB-ZETCQYMHSA-N -2 3 373.416 0.181 20 0 FCADHL O=C(NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)c1ncccc1[O-] ZINC001582378394 1281439333 /nfs/dbraw/zinc/43/93/33/1281439333.db2.gz YEYIVKFXVUHRAW-SECBINFHSA-N -2 3 373.348 0.309 20 0 FCADHL O=C(NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)c1ncccc1[O-] ZINC001582378394 1281439335 /nfs/dbraw/zinc/43/93/35/1281439335.db2.gz YEYIVKFXVUHRAW-SECBINFHSA-N -2 3 373.348 0.309 20 0 FCADHL O=C(NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ncccc1[O-] ZINC001582423890 1281489511 /nfs/dbraw/zinc/48/95/11/1281489511.db2.gz IHRFNYAGHHCUPJ-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ncccc1[O-] ZINC001582423890 1281489512 /nfs/dbraw/zinc/48/95/12/1281489512.db2.gz IHRFNYAGHHCUPJ-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603829725 1287509140 /nfs/dbraw/zinc/50/91/40/1287509140.db2.gz BCJAJJVPEWMYJN-CBAPKCEASA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001603830381 1287509421 /nfs/dbraw/zinc/50/94/21/1287509421.db2.gz IKOJWEKREDMLJZ-IONNQARKSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603830696 1287510202 /nfs/dbraw/zinc/51/02/02/1287510202.db2.gz MLUYXKDASUSGQE-VXNVDRBHSA-N -2 3 355.351 0.490 20 0 FCADHL O=C(NC[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582536836 1281724508 /nfs/dbraw/zinc/72/45/08/1281724508.db2.gz HBLWQCKRCUNTML-PHIMTYICSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582536836 1281724519 /nfs/dbraw/zinc/72/45/19/1281724519.db2.gz HBLWQCKRCUNTML-PHIMTYICSA-N -2 3 366.385 0.983 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001603939458 1287539452 /nfs/dbraw/zinc/53/94/52/1287539452.db2.gz UTCSWQSGRXOBDZ-XSSZXYGBSA-N -2 3 373.416 0.179 20 0 FCADHL O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC(O)(c2nnn[n-]2)CC1 ZINC001633895429 1282282189 /nfs/dbraw/zinc/28/21/89/1282282189.db2.gz CXGPZIUZVVIBOL-UHFFFAOYSA-N -2 3 355.354 0.888 20 0 FCADHL O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895429 1282282198 /nfs/dbraw/zinc/28/21/98/1282282198.db2.gz CXGPZIUZVVIBOL-UHFFFAOYSA-N -2 3 355.354 0.888 20 0 FCADHL CC(C)(CCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589276393 1282826103 /nfs/dbraw/zinc/82/61/03/1282826103.db2.gz WRKVCRYJCPBHEF-UHFFFAOYSA-N -2 3 371.394 0.926 20 0 FCADHL CC(C)(CCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589276393 1282826116 /nfs/dbraw/zinc/82/61/16/1282826116.db2.gz WRKVCRYJCPBHEF-UHFFFAOYSA-N -2 3 371.394 0.926 20 0 FCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1nc(=O)o[n-]1 ZINC001589343947 1282843627 /nfs/dbraw/zinc/84/36/27/1282843627.db2.gz XSEBEXGXCZDCQP-UHFFFAOYSA-N -2 3 359.346 0.059 20 0 FCADHL CC(C)C[C@H](CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589555879 1282907352 /nfs/dbraw/zinc/90/73/52/1282907352.db2.gz QDLXGENLORNFQO-SNVBAGLBSA-N -2 3 353.404 0.892 20 0 FCADHL CC(C)C[C@H](CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589555879 1282907365 /nfs/dbraw/zinc/90/73/65/1282907365.db2.gz QDLXGENLORNFQO-SNVBAGLBSA-N -2 3 353.404 0.892 20 0 FCADHL CC(C)C[C@@H](CNc1cccc(S(N)(=O)=O)c1-c1nnn[n-]1)C(=O)[O-] ZINC001589556068 1282907526 /nfs/dbraw/zinc/90/75/26/1282907526.db2.gz FDMWCGWUOPUBJS-VIFPVBQESA-N -2 3 368.419 0.673 20 0 FCADHL CC(C)C[C@@H](CNc1cccc(S(N)(=O)=O)c1-c1nn[n-]n1)C(=O)[O-] ZINC001589556068 1282907536 /nfs/dbraw/zinc/90/75/36/1282907536.db2.gz FDMWCGWUOPUBJS-VIFPVBQESA-N -2 3 368.419 0.673 20 0 FCADHL CC(C)C[C@@H](CNC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001589552930 1282909131 /nfs/dbraw/zinc/90/91/31/1282909131.db2.gz PIDIERMPGYVQME-ZDUSSCGKSA-N -2 3 374.401 0.346 20 0 FCADHL CC(C)C[C@@H](CNC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589552930 1282909140 /nfs/dbraw/zinc/90/91/40/1282909140.db2.gz PIDIERMPGYVQME-ZDUSSCGKSA-N -2 3 374.401 0.346 20 0 FCADHL CCOC(=O)[C@@H](C)[C@@H](C)NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001604362274 1287614997 /nfs/dbraw/zinc/61/49/97/1287614997.db2.gz RIQMRKFXYZMZGM-DTWKUNHWSA-N -2 3 360.378 0.292 20 0 FCADHL C[C@@H](CCC(=O)[O-])CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001589803131 1283016925 /nfs/dbraw/zinc/01/69/25/1283016925.db2.gz NRJIKFSVTDAOJO-VIFPVBQESA-N -2 3 371.394 0.926 20 0 FCADHL C[C@H](CCCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1[O-] ZINC001589812835 1283038795 /nfs/dbraw/zinc/03/87/95/1283038795.db2.gz CRRPWXMUFFEYEP-SNVBAGLBSA-N -2 3 369.389 0.768 20 0 FCADHL C[C@H](CCCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1[O-] ZINC001589812835 1283038812 /nfs/dbraw/zinc/03/88/12/1283038812.db2.gz CRRPWXMUFFEYEP-SNVBAGLBSA-N -2 3 369.389 0.768 20 0 FCADHL C[C@@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589831022 1283070656 /nfs/dbraw/zinc/07/06/56/1283070656.db2.gz QBNSRTNIEJNKPX-QMMMGPOBSA-N -2 3 357.367 0.536 20 0 FCADHL C[C@@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589831022 1283070662 /nfs/dbraw/zinc/07/06/62/1283070662.db2.gz QBNSRTNIEJNKPX-QMMMGPOBSA-N -2 3 357.367 0.536 20 0 FCADHL C[C@@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)CC(=O)[O-] ZINC001589831202 1283071739 /nfs/dbraw/zinc/07/17/39/1283071739.db2.gz SYKDJOALMGRFOE-VIFPVBQESA-N -2 3 371.394 0.926 20 0 FCADHL C[C@@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)CC(=O)[O-] ZINC001589831202 1283071746 /nfs/dbraw/zinc/07/17/46/1283071746.db2.gz SYKDJOALMGRFOE-VIFPVBQESA-N -2 3 371.394 0.926 20 0 FCADHL CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001589987897 1283158593 /nfs/dbraw/zinc/15/85/93/1283158593.db2.gz CWDKYASADMSMCJ-AWEZNQCLSA-N -2 3 351.367 0.380 20 0 FCADHL CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001589987897 1283158595 /nfs/dbraw/zinc/15/85/95/1283158595.db2.gz CWDKYASADMSMCJ-AWEZNQCLSA-N -2 3 351.367 0.380 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001590027706 1283182277 /nfs/dbraw/zinc/18/22/77/1283182277.db2.gz LHOFVYCQOSBJBG-TVQRCGJNSA-N -2 3 371.357 0.310 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001590027706 1283182285 /nfs/dbraw/zinc/18/22/85/1283182285.db2.gz LHOFVYCQOSBJBG-TVQRCGJNSA-N -2 3 371.357 0.310 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590071031 1283201435 /nfs/dbraw/zinc/20/14/35/1283201435.db2.gz FWOZAAJDILUCIR-PRHODGIISA-N -2 3 357.417 0.850 20 0 FCADHL CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590088697 1283211050 /nfs/dbraw/zinc/21/10/50/1283211050.db2.gz DVAICLNZVRLOFJ-JTQLQIEISA-N -2 3 352.376 0.278 20 0 FCADHL CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590088697 1283211058 /nfs/dbraw/zinc/21/10/58/1283211058.db2.gz DVAICLNZVRLOFJ-JTQLQIEISA-N -2 3 352.376 0.278 20 0 FCADHL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001590111627 1283223604 /nfs/dbraw/zinc/22/36/04/1283223604.db2.gz HYPNWGQLHPLTRM-SNVBAGLBSA-N -2 3 353.379 0.998 20 0 FCADHL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001590111627 1283223610 /nfs/dbraw/zinc/22/36/10/1283223610.db2.gz HYPNWGQLHPLTRM-SNVBAGLBSA-N -2 3 353.379 0.998 20 0 FCADHL Cc1[n-]n(Cc2ccc(-c3nn[n-]n3)cc2)c(=O)c1[C@H]1CCS(=O)(=O)C1 ZINC001590160394 1283254761 /nfs/dbraw/zinc/25/47/61/1283254761.db2.gz AGEUDCWZPVNCJR-UONOGXRCSA-N -2 3 374.426 0.636 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001590166434 1283259211 /nfs/dbraw/zinc/25/92/11/1283259211.db2.gz ZPMVVNFBTBJVGN-APPZFPTMSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001590166434 1283259217 /nfs/dbraw/zinc/25/92/17/1283259217.db2.gz ZPMVVNFBTBJVGN-APPZFPTMSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C(=O)O1 ZINC001590208521 1283327735 /nfs/dbraw/zinc/32/77/35/1283327735.db2.gz XCLWMDOPCYXWTH-MLUIRONXSA-N -2 3 359.314 0.127 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001590260191 1283385692 /nfs/dbraw/zinc/38/56/92/1283385692.db2.gz DSAUAYDPCYAOMM-QPUJVOFHSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001590260191 1283385697 /nfs/dbraw/zinc/38/56/97/1283385697.db2.gz DSAUAYDPCYAOMM-QPUJVOFHSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@@H]1C(=O)[O-] ZINC001590261571 1283386110 /nfs/dbraw/zinc/38/61/10/1283386110.db2.gz OXSVHHHTWYPOMW-SKDRFNHKSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@@H]1C(=O)[O-] ZINC001590261571 1283386121 /nfs/dbraw/zinc/38/61/21/1283386121.db2.gz OXSVHHHTWYPOMW-SKDRFNHKSA-N -2 3 351.388 0.741 20 0 FCADHL CC[C@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590403512 1283521641 /nfs/dbraw/zinc/52/16/41/1283521641.db2.gz UZNURAIYAWUSPJ-GZMMTYOYSA-N -2 3 354.392 0.128 20 0 FCADHL CC[C@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590403512 1283521647 /nfs/dbraw/zinc/52/16/47/1283521647.db2.gz UZNURAIYAWUSPJ-GZMMTYOYSA-N -2 3 354.392 0.128 20 0 FCADHL CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590396682 1283522750 /nfs/dbraw/zinc/52/27/50/1283522750.db2.gz NOBJLQTTXAEQKN-SKDRFNHKSA-N -2 3 353.404 0.987 20 0 FCADHL CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590396682 1283522762 /nfs/dbraw/zinc/52/27/62/1283522762.db2.gz NOBJLQTTXAEQKN-SKDRFNHKSA-N -2 3 353.404 0.987 20 0 FCADHL CC[C@@H](CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)CC(=O)[O-] ZINC001590446060 1283541877 /nfs/dbraw/zinc/54/18/77/1283541877.db2.gz DQQISMFAOJNMCS-SECBINFHSA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@H](CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)CC(=O)[O-] ZINC001590447196 1283545247 /nfs/dbraw/zinc/54/52/47/1283545247.db2.gz STIWOUNZYJVMQW-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL CCCSC[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590652013 1283703704 /nfs/dbraw/zinc/70/37/04/1283703704.db2.gz RLENOEFQCPMUIQ-NSHDSACASA-N -2 3 371.444 0.741 20 0 FCADHL CCCSC[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590652013 1283703712 /nfs/dbraw/zinc/70/37/12/1283703712.db2.gz RLENOEFQCPMUIQ-NSHDSACASA-N -2 3 371.444 0.741 20 0 FCADHL CCN(CC)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001590688879 1283733610 /nfs/dbraw/zinc/73/36/10/1283733610.db2.gz ZWPBQTCALVLIHE-UHFFFAOYSA-N -2 3 352.420 0.502 20 0 FCADHL CCN(CC)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001590688879 1283733617 /nfs/dbraw/zinc/73/36/17/1283733617.db2.gz ZWPBQTCALVLIHE-UHFFFAOYSA-N -2 3 352.420 0.502 20 0 FCADHL CCOC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCC1 ZINC001590785452 1283840198 /nfs/dbraw/zinc/84/01/98/1283840198.db2.gz OMRWTCAPIAEOPL-UHFFFAOYSA-N -2 3 365.415 0.939 20 0 FCADHL CCOC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCC1 ZINC001590785452 1283840206 /nfs/dbraw/zinc/84/02/06/1283840206.db2.gz OMRWTCAPIAEOPL-UHFFFAOYSA-N -2 3 365.415 0.939 20 0 FCADHL CCc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)nn1C ZINC001590880495 1283946676 /nfs/dbraw/zinc/94/66/76/1283946676.db2.gz RYLAVSGHSCSBTA-UHFFFAOYSA-N -2 3 361.387 0.281 20 0 FCADHL CCc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)nn1C ZINC001590880495 1283946685 /nfs/dbraw/zinc/94/66/85/1283946685.db2.gz RYLAVSGHSCSBTA-UHFFFAOYSA-N -2 3 361.387 0.281 20 0 FCADHL CCc1nc(NCCNC(=O)c2ncccc2[O-])cc(-c2nnn[n-]2)n1 ZINC001590922769 1283973659 /nfs/dbraw/zinc/97/36/59/1283973659.db2.gz YXMXOZAOTQOOQQ-UHFFFAOYSA-N -2 3 355.362 0.162 20 0 FCADHL CCc1nc(NCCNC(=O)c2ncccc2[O-])cc(-c2nn[n-]n2)n1 ZINC001590922769 1283973662 /nfs/dbraw/zinc/97/36/62/1283973662.db2.gz YXMXOZAOTQOOQQ-UHFFFAOYSA-N -2 3 355.362 0.162 20 0 FCADHL CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001590944151 1283992316 /nfs/dbraw/zinc/99/23/16/1283992316.db2.gz IHTPXJPHSTYHMJ-UHFFFAOYSA-N -2 3 364.373 0.222 20 0 FCADHL CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001590944151 1283992328 /nfs/dbraw/zinc/99/23/28/1283992328.db2.gz IHTPXJPHSTYHMJ-UHFFFAOYSA-N -2 3 364.373 0.222 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1nccnc1-c1nnn[n-]1 ZINC001591079555 1284149395 /nfs/dbraw/zinc/14/93/95/1284149395.db2.gz MVLMFJPPOXSQTA-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1nccnc1-c1nn[n-]n1 ZINC001591079555 1284149397 /nfs/dbraw/zinc/14/93/97/1284149397.db2.gz MVLMFJPPOXSQTA-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@@H](C(=O)[O-])C1 ZINC001591252562 1284408438 /nfs/dbraw/zinc/40/84/38/1284408438.db2.gz LMGSJUIAXWYDKH-ZYHUDNBSSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001591296099 1284449987 /nfs/dbraw/zinc/44/99/87/1284449987.db2.gz BFCNQACPKNCPIN-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001591296099 1284449992 /nfs/dbraw/zinc/44/99/92/1284449992.db2.gz BFCNQACPKNCPIN-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591316257 1284466246 /nfs/dbraw/zinc/46/62/46/1284466246.db2.gz MPMMVZBFRXSFCT-UHFFFAOYSA-N -2 3 353.404 0.628 20 0 FCADHL COC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591316257 1284466248 /nfs/dbraw/zinc/46/62/48/1284466248.db2.gz MPMMVZBFRXSFCT-UHFFFAOYSA-N -2 3 353.404 0.628 20 0 FCADHL CO[C@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591321254 1284469028 /nfs/dbraw/zinc/46/90/28/1284469028.db2.gz NRAGVMICDZQSGR-SNVBAGLBSA-N -2 3 353.404 0.628 20 0 FCADHL CO[C@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591321254 1284469031 /nfs/dbraw/zinc/46/90/31/1284469031.db2.gz NRAGVMICDZQSGR-SNVBAGLBSA-N -2 3 353.404 0.628 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1)C1CCCCC1 ZINC001591332728 1284475499 /nfs/dbraw/zinc/47/54/99/1284475499.db2.gz BCFKPGMQHQYOQE-LBPRGKRZSA-N -2 3 369.451 0.937 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001591385780 1284526766 /nfs/dbraw/zinc/52/67/66/1284526766.db2.gz KUCBRJNJXWHEOK-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001591385780 1284526771 /nfs/dbraw/zinc/52/67/71/1284526771.db2.gz KUCBRJNJXWHEOK-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL COCCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001591417235 1284569654 /nfs/dbraw/zinc/56/96/54/1284569654.db2.gz OYWMMAOUNFZJBF-UHFFFAOYSA-N -2 3 365.394 0.446 20 0 FCADHL COCCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001591417235 1284569663 /nfs/dbraw/zinc/56/96/63/1284569663.db2.gz OYWMMAOUNFZJBF-UHFFFAOYSA-N -2 3 365.394 0.446 20 0 FCADHL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001591420630 1284572193 /nfs/dbraw/zinc/57/21/93/1284572193.db2.gz BBKOOERWBPLRCN-SNVBAGLBSA-N -2 3 369.403 0.285 20 0 FCADHL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001591420630 1284572202 /nfs/dbraw/zinc/57/22/02/1284572202.db2.gz BBKOOERWBPLRCN-SNVBAGLBSA-N -2 3 369.403 0.285 20 0 FCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)C[C@H](C)OC ZINC001591445469 1284602050 /nfs/dbraw/zinc/60/20/50/1284602050.db2.gz LTDGIMQETZVYDC-JTQLQIEISA-N -2 3 371.419 0.669 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)C(=O)[N-]O[C@@H]1CCCCO1 ZINC001591488880 1284664966 /nfs/dbraw/zinc/66/49/66/1284664966.db2.gz FPXWVAMREKXKOW-GFCCVEGCSA-N -2 3 362.346 0.388 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)C(=O)[N-]O[C@@H]1CCCCO1 ZINC001591488880 1284664974 /nfs/dbraw/zinc/66/49/74/1284664974.db2.gz FPXWVAMREKXKOW-GFCCVEGCSA-N -2 3 362.346 0.388 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC[C@@H](C)C(=O)[O-] ZINC001591504015 1284684984 /nfs/dbraw/zinc/68/49/84/1284684984.db2.gz FOODVVBZQYNRSC-MRVPVSSYSA-N -2 3 355.376 0.264 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC[C@@H](C)C(=O)[O-] ZINC001591504015 1284684999 /nfs/dbraw/zinc/68/49/99/1284684999.db2.gz FOODVVBZQYNRSC-MRVPVSSYSA-N -2 3 355.376 0.264 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC001591505890 1284693033 /nfs/dbraw/zinc/69/30/33/1284693033.db2.gz LWQHLQHDNZLHGN-QPUJVOFHSA-N -2 3 367.387 0.359 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC001591505890 1284693040 /nfs/dbraw/zinc/69/30/40/1284693040.db2.gz LWQHLQHDNZLHGN-QPUJVOFHSA-N -2 3 367.387 0.359 20 0 FCADHL COc1cc(NC(=O)C(=O)[N-]OCC2CCC2)c(F)cc1-c1nnn[n-]1 ZINC001591543651 1284723759 /nfs/dbraw/zinc/72/37/59/1284723759.db2.gz GMPTZJDBQPERCY-UHFFFAOYSA-N -2 3 364.337 0.801 20 0 FCADHL COc1cc(NC(=O)C(=O)[N-]OCC2CCC2)c(F)cc1-c1nn[n-]n1 ZINC001591543651 1284723767 /nfs/dbraw/zinc/72/37/67/1284723767.db2.gz GMPTZJDBQPERCY-UHFFFAOYSA-N -2 3 364.337 0.801 20 0 FCADHL COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591647161 1284779442 /nfs/dbraw/zinc/77/94/42/1284779442.db2.gz WYBMNWYSVOWSHQ-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591647161 1284779449 /nfs/dbraw/zinc/77/94/49/1284779449.db2.gz WYBMNWYSVOWSHQ-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL COc1cnc([C@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)[n-]c1=O ZINC001591659974 1284788677 /nfs/dbraw/zinc/78/86/77/1284788677.db2.gz BCTGIOYVXLVZJU-SNVBAGLBSA-N -2 3 355.362 0.811 20 0 FCADHL COc1ncc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1-c1nnn[n-]1 ZINC001591667543 1284796759 /nfs/dbraw/zinc/79/67/59/1284796759.db2.gz SIDXLINXODXXRV-UHFFFAOYSA-N -2 3 360.359 0.615 20 0 FCADHL CS(=O)(=O)Cc1noc([N-]C(=O)c2sccc2-c2nn[n-]n2)n1 ZINC001591675676 1284812584 /nfs/dbraw/zinc/81/25/84/1284812584.db2.gz IWISVYLNMQDGHH-UHFFFAOYSA-N -2 3 355.361 0.108 20 0 FCADHL CSCCO[N-]C(=O)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001591701502 1284841810 /nfs/dbraw/zinc/84/18/10/1284841810.db2.gz RSWITPGHYWWXJP-SECBINFHSA-N -2 3 350.404 0.455 20 0 FCADHL CSCCO[N-]C(=O)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001591701502 1284841822 /nfs/dbraw/zinc/84/18/22/1284841822.db2.gz RSWITPGHYWWXJP-SECBINFHSA-N -2 3 350.404 0.455 20 0 FCADHL Cc1c(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cccc1-c1nnn[n-]1 ZINC001591824661 1284931677 /nfs/dbraw/zinc/93/16/77/1284931677.db2.gz NJPGNOMPWQDSFI-NSHDSACASA-N -2 3 360.374 0.587 20 0 FCADHL Cc1c(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cccc1-c1nn[n-]n1 ZINC001591824661 1284931685 /nfs/dbraw/zinc/93/16/85/1284931685.db2.gz NJPGNOMPWQDSFI-NSHDSACASA-N -2 3 360.374 0.587 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)NC1(C(=O)[O-])CCOCC1 ZINC001591843429 1284948930 /nfs/dbraw/zinc/94/89/30/1284948930.db2.gz RDBKVWQOZSRYIT-UHFFFAOYSA-N -2 3 359.386 0.776 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001591870174 1284956703 /nfs/dbraw/zinc/95/67/03/1284956703.db2.gz HBBUPCLDLURIKZ-LLVKDONJSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001591870174 1284956709 /nfs/dbraw/zinc/95/67/09/1284956709.db2.gz HBBUPCLDLURIKZ-LLVKDONJSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001591880389 1284967832 /nfs/dbraw/zinc/96/78/32/1284967832.db2.gz GFXISPPYEVSRLG-UHFFFAOYSA-N -2 3 364.329 0.504 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001591880389 1284967841 /nfs/dbraw/zinc/96/78/41/1284967841.db2.gz GFXISPPYEVSRLG-UHFFFAOYSA-N -2 3 364.329 0.504 20 0 FCADHL Cc1cc(Cn2cc(C[N-]C(=O)C(F)(F)F)nn2)ccc1-c1nn[n-]n1 ZINC001591978066 1285036822 /nfs/dbraw/zinc/03/68/22/1285036822.db2.gz RYKKYGHGLOFMGP-UHFFFAOYSA-N -2 3 366.307 0.993 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)ccc1-c1nnn[n-]1 ZINC001592065785 1285105040 /nfs/dbraw/zinc/10/50/40/1285105040.db2.gz LRXADTTUILTPCH-LBPRGKRZSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)ccc1-c1nn[n-]n1 ZINC001592065785 1285105044 /nfs/dbraw/zinc/10/50/44/1285105044.db2.gz LRXADTTUILTPCH-LBPRGKRZSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)c1[O-] ZINC001592094388 1285132824 /nfs/dbraw/zinc/13/28/24/1285132824.db2.gz OLWXDLBVLJDNID-AOOOYVTPSA-N -2 3 369.389 0.680 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CO[C@@H](C)C1 ZINC001592109206 1285143656 /nfs/dbraw/zinc/14/36/56/1285143656.db2.gz GFKOCFJBGRYODY-GXSJLCMTSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CO[C@@H](C)C1 ZINC001592109206 1285143660 /nfs/dbraw/zinc/14/36/60/1285143660.db2.gz GFKOCFJBGRYODY-GXSJLCMTSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC001592111422 1285148869 /nfs/dbraw/zinc/14/88/69/1285148869.db2.gz PUQLTIRNXUWCGS-UHFFFAOYSA-N -2 3 360.403 0.904 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC001592111422 1285148871 /nfs/dbraw/zinc/14/88/71/1285148871.db2.gz PUQLTIRNXUWCGS-UHFFFAOYSA-N -2 3 360.403 0.904 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001592215051 1285187225 /nfs/dbraw/zinc/18/72/25/1285187225.db2.gz YWXPNHVNQSKRNC-KOLCDFICSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001592215051 1285187230 /nfs/dbraw/zinc/18/72/30/1285187230.db2.gz YWXPNHVNQSKRNC-KOLCDFICSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592220779 1285189535 /nfs/dbraw/zinc/18/95/35/1285189535.db2.gz NCZSDBACISPDRP-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592220779 1285189540 /nfs/dbraw/zinc/18/95/40/1285189540.db2.gz NCZSDBACISPDRP-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cccc(CO[N-]C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592232326 1285190548 /nfs/dbraw/zinc/19/05/48/1285190548.db2.gz XHCTXZHFDIEYIY-UHFFFAOYSA-N -2 3 367.369 0.548 20 0 FCADHL Cc1cccc(CO[N-]C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592232326 1285190554 /nfs/dbraw/zinc/19/05/54/1285190554.db2.gz XHCTXZHFDIEYIY-UHFFFAOYSA-N -2 3 367.369 0.548 20 0 FCADHL Cc1cccc(S(=O)(=O)[N-]c2cc3n(n2)CCN(C)C3)c1-c1nnn[n-]1 ZINC001592241035 1285197669 /nfs/dbraw/zinc/19/76/69/1285197669.db2.gz HJLGQSMMVOWCSY-UHFFFAOYSA-N -2 3 374.430 0.618 20 0 FCADHL Cc1cccc(S(=O)(=O)[N-]c2cc3n(n2)CCN(C)C3)c1-c1nn[n-]n1 ZINC001592241035 1285197673 /nfs/dbraw/zinc/19/76/73/1285197673.db2.gz HJLGQSMMVOWCSY-UHFFFAOYSA-N -2 3 374.430 0.618 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)cc1-c1nnn[n-]1 ZINC001592415342 1285337666 /nfs/dbraw/zinc/33/76/66/1285337666.db2.gz VQKLFQMZMVPJKW-UHFFFAOYSA-N -2 3 370.345 0.833 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)cc1-c1nn[n-]n1 ZINC001592415342 1285337679 /nfs/dbraw/zinc/33/76/79/1285337679.db2.gz VQKLFQMZMVPJKW-UHFFFAOYSA-N -2 3 370.345 0.833 20 0 FCADHL Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001592569598 1285485866 /nfs/dbraw/zinc/48/58/66/1285485866.db2.gz HTHOGCYMSLNCJM-QWRGUYRKSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001592569598 1285485871 /nfs/dbraw/zinc/48/58/71/1285485871.db2.gz HTHOGCYMSLNCJM-QWRGUYRKSA-N -2 3 354.374 0.690 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001592735728 1285646826 /nfs/dbraw/zinc/64/68/26/1285646826.db2.gz FODRZPNZVVMMLU-UHFFFAOYSA-N -2 3 363.334 0.301 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001592735728 1285646830 /nfs/dbraw/zinc/64/68/30/1285646830.db2.gz FODRZPNZVVMMLU-UHFFFAOYSA-N -2 3 363.334 0.301 20 0 FCADHL NC(=O)c1ccc(OCC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592736135 1285650286 /nfs/dbraw/zinc/65/02/86/1285650286.db2.gz VUAVBMMOLDFOLT-UHFFFAOYSA-N -2 3 354.326 0.455 20 0 FCADHL NC(=O)c1ccc(OCC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592736135 1285650294 /nfs/dbraw/zinc/65/02/94/1285650294.db2.gz VUAVBMMOLDFOLT-UHFFFAOYSA-N -2 3 354.326 0.455 20 0 FCADHL NS(=O)(=O)c1cc(NC(=O)c2cscc2-c2nnn[n-]2)ccc1[O-] ZINC001592749950 1285671503 /nfs/dbraw/zinc/67/15/03/1285671503.db2.gz SRCCLLFHFMXCTM-UHFFFAOYSA-N -2 3 366.384 0.534 20 0 FCADHL NS(=O)(=O)c1cc(NC(=O)c2cscc2-c2nn[n-]n2)ccc1[O-] ZINC001592749950 1285671507 /nfs/dbraw/zinc/67/15/07/1285671507.db2.gz SRCCLLFHFMXCTM-UHFFFAOYSA-N -2 3 366.384 0.534 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C1CCOCC1 ZINC001592798791 1285721490 /nfs/dbraw/zinc/72/14/90/1285721490.db2.gz USMYLDKMJIDQTM-AATRIKPKSA-N -2 3 363.399 0.505 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C1CCOCC1 ZINC001592798791 1285721497 /nfs/dbraw/zinc/72/14/97/1285721497.db2.gz USMYLDKMJIDQTM-AATRIKPKSA-N -2 3 363.399 0.505 20 0 FCADHL O=C(CCC1CCOCC1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592833470 1285745190 /nfs/dbraw/zinc/74/51/90/1285745190.db2.gz NPHUPDJGEVRSTF-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL O=C(CCC1CCOCC1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592833470 1285745197 /nfs/dbraw/zinc/74/51/97/1285745197.db2.gz NPHUPDJGEVRSTF-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592910473 1285805169 /nfs/dbraw/zinc/80/51/69/1285805169.db2.gz SZTFXNUOUOBFNV-GFCCVEGCSA-N -2 3 354.374 0.639 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592910473 1285805175 /nfs/dbraw/zinc/80/51/75/1285805175.db2.gz SZTFXNUOUOBFNV-GFCCVEGCSA-N -2 3 354.374 0.639 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccnc1)c1cc(-c2nnn[n-]2)cs1 ZINC001593172740 1286026517 /nfs/dbraw/zinc/02/65/17/1286026517.db2.gz ORPQNUAKOJBVPM-UHFFFAOYSA-N -2 3 350.385 0.583 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccnc1)c1cc(-c2nn[n-]n2)cs1 ZINC001593172740 1286026521 /nfs/dbraw/zinc/02/65/21/1286026521.db2.gz ORPQNUAKOJBVPM-UHFFFAOYSA-N -2 3 350.385 0.583 20 0 FCADHL O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001593272171 1286056168 /nfs/dbraw/zinc/05/61/68/1286056168.db2.gz SZFDLVCHZRRMEC-UHFFFAOYSA-N -2 3 367.123 0.016 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC001593275898 1286059643 /nfs/dbraw/zinc/05/96/43/1286059643.db2.gz YFRSYVLJETZALH-CPFSXVBKSA-N -2 3 353.335 0.101 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC12CCCC2 ZINC001593276745 1286060508 /nfs/dbraw/zinc/06/05/08/1286060508.db2.gz PIAGWAJEAFJLAA-LBPRGKRZSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC12CCCC2 ZINC001593276745 1286060512 /nfs/dbraw/zinc/06/05/12/1286060512.db2.gz PIAGWAJEAFJLAA-LBPRGKRZSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])CCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001593278745 1286061614 /nfs/dbraw/zinc/06/16/14/1286061614.db2.gz WGWOBURTCNWVBX-GFCCVEGCSA-N -2 3 373.373 0.136 20 0 FCADHL O=C([O-])CCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001593278745 1286061618 /nfs/dbraw/zinc/06/16/18/1286061618.db2.gz WGWOBURTCNWVBX-GFCCVEGCSA-N -2 3 373.373 0.136 20 0 FCADHL O=C([O-])CN(Cc1ccccn1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001593278401 1286061746 /nfs/dbraw/zinc/06/17/46/1286061746.db2.gz CNAJISGWPQQXPZ-UHFFFAOYSA-N -2 3 374.382 0.537 20 0 FCADHL O=C([O-])CN(Cc1ccccn1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001593278401 1286061749 /nfs/dbraw/zinc/06/17/49/1286061749.db2.gz CNAJISGWPQQXPZ-UHFFFAOYSA-N -2 3 374.382 0.537 20 0 FCADHL O=C([O-])CN(C1CCC1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593278545 1286062068 /nfs/dbraw/zinc/06/20/68/1286062068.db2.gz LRLQRSMXKHDQIJ-UHFFFAOYSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001593279615 1286063189 /nfs/dbraw/zinc/06/31/89/1286063189.db2.gz UHLXDCFZGQKKIG-SECBINFHSA-N -2 3 355.351 0.491 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001593279615 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UEIGQKBVGNLHNG-UHFFFAOYSA-N -2 3 363.399 0.572 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CCC(=O)CC1 ZINC001593388774 1286110394 /nfs/dbraw/zinc/11/03/94/1286110394.db2.gz UEIGQKBVGNLHNG-UHFFFAOYSA-N -2 3 363.399 0.572 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCN([C@H]3CCCN(CCC(=O)[O-])C3=O)CC2)n1 ZINC001600064992 1286435055 /nfs/dbraw/zinc/43/50/55/1286435055.db2.gz LSYBQMGGGMSUOO-ZDUSSCGKSA-N -2 3 363.418 0.078 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3ccc(C(=O)[O-])cn3)C2)n1 ZINC001600065153 1286435239 /nfs/dbraw/zinc/43/52/39/1286435239.db2.gz SGPQKPCHLYDJOK-GFCCVEGCSA-N -2 3 357.370 0.983 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCN(S(=O)(=O)c3cc(C(=O)[O-])co3)CC2)n1 ZINC001600065126 1286435455 /nfs/dbraw/zinc/43/54/55/1286435455.db2.gz RBBWIMZUBMQSSI-UHFFFAOYSA-N -2 3 368.371 0.293 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NS(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2)n1 ZINC001600064589 1286435570 /nfs/dbraw/zinc/43/55/70/1286435570.db2.gz VGODUCRSJGLCAA-UTUOFQBUSA-N -2 3 370.431 0.242 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)C2)n1 ZINC001600064579 1286435582 /nfs/dbraw/zinc/43/55/82/1286435582.db2.gz URDOJTMIZAOSGL-YNEHKIRRSA-N -2 3 364.402 0.455 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C(C)C)N2CCOCC2)oc1C(=O)[O-] ZINC001600299852 1286472928 /nfs/dbraw/zinc/47/29/28/1286472928.db2.gz VWUOYCCLAQVSSZ-GFCCVEGCSA-N -2 3 360.432 0.921 20 0 FCADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])N(C)C)cc1 ZINC001600377407 1286481556 /nfs/dbraw/zinc/48/15/56/1286481556.db2.gz UAVUCQFPQXPKLV-CYBMUJFWSA-N -2 3 352.416 0.998 20 0 FCADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](CC2OCCO2)C(=O)[O-])c1 ZINC001600623248 1286516211 /nfs/dbraw/zinc/51/62/11/1286516211.db2.gz GVXGEQYIMFNTON-MRVPVSSYSA-N -2 3 350.780 0.538 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](C(C)C)N2CCOCC2)c1C(=O)[O-] ZINC001600673125 1286523830 /nfs/dbraw/zinc/52/38/30/1286523830.db2.gz NQAIVOCZPIMSKU-NSHDSACASA-N -2 3 360.436 0.051 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@](C)(O)c2cccc(F)c2)c1C(=O)[O-] ZINC001600673095 1286523918 /nfs/dbraw/zinc/52/39/18/1286523918.db2.gz MZGVBQGSGQBUCF-AWEZNQCLSA-N -2 3 357.363 0.741 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](CO)c2ccc(F)cc2)c1C(=O)[O-] ZINC001600672698 1286524126 /nfs/dbraw/zinc/52/41/26/1286524126.db2.gz HMGJFOVXVHDYJN-SNVBAGLBSA-N -2 3 357.363 0.610 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(C)(C)C2(O)CCOCC2)c1C(=O)[O-] ZINC001600673422 1286524817 /nfs/dbraw/zinc/52/48/17/1286524817.db2.gz QGBNHGINLZNWGP-UHFFFAOYSA-N -2 3 361.420 0.262 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c1C(=O)[O-] ZINC001600673896 1286524838 /nfs/dbraw/zinc/52/48/38/1286524838.db2.gz WRKYAFPGWLMYLG-ZETCQYMHSA-N -3 3 359.385 0.972 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCCNC(=O)c2cccs2)c1C(=O)[O-] ZINC001600673501 1286524942 /nfs/dbraw/zinc/52/49/42/1286524942.db2.gz GYONCXLIEKNZHB-UHFFFAOYSA-N -2 3 372.428 0.576 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2nnc3ccc(Cl)cn32)c1C(=O)[O-] ZINC001600674157 1286526173 /nfs/dbraw/zinc/52/61/73/1286526173.db2.gz 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Cn1ncc(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1Br ZINC001601028588 1286606532 /nfs/dbraw/zinc/60/65/32/1286606532.db2.gz AGNNKUFLOVGETE-BUYFANAVSA-N -2 3 364.221 0.714 20 0 FCADHL NC(=O)c1csc(C[N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC001601172197 1286673840 /nfs/dbraw/zinc/67/38/40/1286673840.db2.gz NWRPZPDRZWTOEQ-UHFFFAOYSA-N -2 3 359.360 0.558 20 0 FCADHL NC(=O)c1csc(C[N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])n1 ZINC001601171845 1286673993 /nfs/dbraw/zinc/67/39/93/1286673993.db2.gz FDCPBXIQDWROTG-UHFFFAOYSA-N -2 3 359.360 0.558 20 0 FCADHL COCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609321162 1289093806 /nfs/dbraw/zinc/09/38/06/1289093806.db2.gz QHMXCICYDJDLMK-UHFFFAOYSA-N -2 3 354.392 0.129 20 0 FCADHL COCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609321162 1289093812 /nfs/dbraw/zinc/09/38/12/1289093812.db2.gz QHMXCICYDJDLMK-UHFFFAOYSA-N -2 3 354.392 0.129 20 0 FCADHL O=C(CN1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)NC(C1CC1)C1CC1 ZINC001601306935 1286718531 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0.950 20 0 FCADHL O=C([O-])C[C@H](O)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC001601912915 1286869177 /nfs/dbraw/zinc/86/91/77/1286869177.db2.gz PFRWJFUQHLNDEF-ZETCQYMHSA-N -2 3 356.169 0.702 20 0 FCADHL O=C([O-])CC1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001601927790 1286873321 /nfs/dbraw/zinc/87/33/21/1286873321.db2.gz WDHHRPKQLGRUPV-UHFFFAOYSA-N -2 3 352.821 0.803 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C1CC1 ZINC001609338640 1289108288 /nfs/dbraw/zinc/10/82/88/1289108288.db2.gz LKZZKFIUHLORBU-QWRGUYRKSA-N -2 3 363.399 0.726 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C1CC1 ZINC001609338640 1289108294 /nfs/dbraw/zinc/10/82/94/1289108294.db2.gz LKZZKFIUHLORBU-QWRGUYRKSA-N -2 3 363.399 0.726 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)CCC(C)=O ZINC001609338733 1289108434 /nfs/dbraw/zinc/10/84/34/1289108434.db2.gz ONDOLOPDKPHPCJ-UHFFFAOYSA-N -2 3 353.360 0.049 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)CCC(C)=O ZINC001609338733 1289108438 /nfs/dbraw/zinc/10/84/38/1289108438.db2.gz ONDOLOPDKPHPCJ-UHFFFAOYSA-N -2 3 353.360 0.049 20 0 FCADHL O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)O1 ZINC001602037414 1286909888 /nfs/dbraw/zinc/90/98/88/1286909888.db2.gz RITBFKCOIGVZLR-GRYCIOLGSA-N -2 3 350.375 0.290 20 0 FCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001602070913 1286924989 /nfs/dbraw/zinc/92/49/89/1286924989.db2.gz OMBKMUYCUSTHQJ-UHFFFAOYSA-N -2 3 355.397 0.289 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2COCCN2)c1F ZINC001602266805 1286978567 /nfs/dbraw/zinc/97/85/67/1286978567.db2.gz NHQYFJBBHIFNRP-MRVPVSSYSA-N -2 3 352.771 0.444 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2COCO2)c(Br)o1 ZINC001602295613 1286986621 /nfs/dbraw/zinc/98/66/21/1286986621.db2.gz QRSLAUOVWZXULT-RXMQYKEDSA-N -2 3 356.150 0.392 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2(CO)CCOCC2)o1 ZINC001602396807 1286995808 /nfs/dbraw/zinc/99/58/08/1286995808.db2.gz ZJOJWNRYWFKIQE-ZDUSSCGKSA-N -2 3 359.400 0.824 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1nnc(C2CCOCC2)[nH]1 ZINC001602487997 1287010591 /nfs/dbraw/zinc/01/05/91/1287010591.db2.gz JSBGPVUEWHRCGY-UHFFFAOYSA-N -2 3 356.360 0.468 20 0 FCADHL COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609363492 1289119667 /nfs/dbraw/zinc/11/96/67/1289119667.db2.gz DZWDDOLMXWIUFM-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609363492 1289119671 /nfs/dbraw/zinc/11/96/71/1289119671.db2.gz DZWDDOLMXWIUFM-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC001602556212 1287025050 /nfs/dbraw/zinc/02/50/50/1287025050.db2.gz DIYZZFZFKDLJBW-JTQLQIEISA-N -2 3 357.365 0.785 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccnc2)cccc1-c1nnn[n-]1 ZINC001609380638 1289131693 /nfs/dbraw/zinc/13/16/93/1289131693.db2.gz IKFDKDREZPGOEF-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccnc2)cccc1-c1nn[n-]n1 ZINC001609380638 1289131696 /nfs/dbraw/zinc/13/16/96/1289131696.db2.gz IKFDKDREZPGOEF-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL CC(C)(C)CC[C@H](NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603071985 1287202781 /nfs/dbraw/zinc/20/27/81/1287202781.db2.gz UXKRTUFCKJFCFC-NSHDSACASA-N -2 3 368.419 0.820 20 0 FCADHL CC(C)(C)CC[C@H](NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603071985 1287202787 /nfs/dbraw/zinc/20/27/87/1287202787.db2.gz UXKRTUFCKJFCFC-NSHDSACASA-N -2 3 368.419 0.820 20 0 FCADHL CC[C@@](C)(CCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1OCCO1 ZINC001604906469 1287813760 /nfs/dbraw/zinc/81/37/60/1287813760.db2.gz YXRWDFQLXCXOLQ-AWEZNQCLSA-N -2 3 361.420 0.956 20 0 FCADHL COC(=O)c1ncsc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC001604991120 1287829537 /nfs/dbraw/zinc/82/95/37/1287829537.db2.gz XLVBUKQPYRMJQI-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL COC(=O)c1ncsc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC001604991120 1287829543 /nfs/dbraw/zinc/82/95/43/1287829543.db2.gz XLVBUKQPYRMJQI-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001605005866 1287834190 /nfs/dbraw/zinc/83/41/90/1287834190.db2.gz RYPCQRSCMRXVJF-QWRGUYRKSA-N -2 3 367.431 0.526 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605005866 1287834194 /nfs/dbraw/zinc/83/41/94/1287834194.db2.gz RYPCQRSCMRXVJF-QWRGUYRKSA-N -2 3 367.431 0.526 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1nc2n(c1-c1nn[n-]n1)CCS2)C1CC1 ZINC001605013478 1287836554 /nfs/dbraw/zinc/83/65/54/1287836554.db2.gz YMYNVDXBRNSEMB-MRVPVSSYSA-N -2 3 371.448 0.336 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C)c(-c2nn[n-]n2)cn1)[C@@H]1CCOC1 ZINC001605013531 1287836707 /nfs/dbraw/zinc/83/67/07/1287836707.db2.gz ZQYRVYDBQOOJKH-PWSUYJOCSA-N -2 3 368.419 0.363 20 0 FCADHL COCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001605079312 1287870740 /nfs/dbraw/zinc/87/07/40/1287870740.db2.gz RFMCGRUYFSWILR-UHFFFAOYSA-N -2 3 367.431 0.875 20 0 FCADHL COCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605079312 1287870745 /nfs/dbraw/zinc/87/07/45/1287870745.db2.gz RFMCGRUYFSWILR-UHFFFAOYSA-N -2 3 367.431 0.875 20 0 FCADHL CSC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001605368790 1287942865 /nfs/dbraw/zinc/94/28/65/1287942865.db2.gz NTKWWZSDXXDNNI-UHFFFAOYSA-N -2 3 371.419 0.847 20 0 FCADHL CSC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001605368790 1287942870 /nfs/dbraw/zinc/94/28/70/1287942870.db2.gz NTKWWZSDXXDNNI-UHFFFAOYSA-N -2 3 371.419 0.847 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@]1(F)CCOC1 ZINC001609416753 1289143174 /nfs/dbraw/zinc/14/31/74/1289143174.db2.gz IXBYHSNNICRHLC-ZDUSSCGKSA-N -2 3 355.351 0.109 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@]1(F)CCOC1 ZINC001609416753 1289143177 /nfs/dbraw/zinc/14/31/77/1289143177.db2.gz IXBYHSNNICRHLC-ZDUSSCGKSA-N -2 3 355.351 0.109 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCCCO1 ZINC001609416835 1289143748 /nfs/dbraw/zinc/14/37/48/1289143748.db2.gz OYDNHIUXOSHTMF-HNNXBMFYSA-N -2 3 365.415 0.939 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCCCO1 ZINC001609416835 1289143751 /nfs/dbraw/zinc/14/37/51/1289143751.db2.gz OYDNHIUXOSHTMF-HNNXBMFYSA-N -2 3 365.415 0.939 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)s1 ZINC001609421972 1289145618 /nfs/dbraw/zinc/14/56/18/1289145618.db2.gz HJHGGJHAFNGIFH-UHFFFAOYSA-N -2 3 364.412 0.679 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)s1 ZINC001609421972 1289145621 /nfs/dbraw/zinc/14/56/21/1289145621.db2.gz HJHGGJHAFNGIFH-UHFFFAOYSA-N -2 3 364.412 0.679 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC1(CC(=O)[O-])CC1 ZINC001605546175 1287993980 /nfs/dbraw/zinc/99/39/80/1287993980.db2.gz DONSZZIESCGNFA-UHFFFAOYSA-N -2 3 351.388 0.708 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC1(CC(=O)[O-])CC1 ZINC001605546175 1287993985 /nfs/dbraw/zinc/99/39/85/1287993985.db2.gz DONSZZIESCGNFA-UHFFFAOYSA-N -2 3 351.388 0.708 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001609432951 1289148088 /nfs/dbraw/zinc/14/80/88/1289148088.db2.gz XEPAVMOJITWLDH-GXSJLCMTSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001609432951 1289148091 /nfs/dbraw/zinc/14/80/91/1289148091.db2.gz XEPAVMOJITWLDH-GXSJLCMTSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)ncc1-c1nnn[n-]1 ZINC001605621258 1288038966 /nfs/dbraw/zinc/03/89/66/1288038966.db2.gz BHDPPNLXPJNTAP-GBIKHYSHSA-N -2 3 362.415 0.818 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)ncc1-c1nn[n-]n1 ZINC001605621258 1288038977 /nfs/dbraw/zinc/03/89/77/1288038977.db2.gz BHDPPNLXPJNTAP-GBIKHYSHSA-N -2 3 362.415 0.818 20 0 FCADHL Cc1[nH]nc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1-c1nnn[n-]1 ZINC001606014406 1288129311 /nfs/dbraw/zinc/12/93/11/1288129311.db2.gz WPBXCFULVOQWIA-UHFFFAOYSA-N -2 3 363.359 0.470 20 0 FCADHL Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)nn1C ZINC001606076771 1288155541 /nfs/dbraw/zinc/15/55/41/1288155541.db2.gz OAGUQXVDULQTIS-UHFFFAOYSA-N -2 3 354.783 0.758 20 0 FCADHL Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)nn1C ZINC001606076771 1288155546 /nfs/dbraw/zinc/15/55/46/1288155546.db2.gz OAGUQXVDULQTIS-UHFFFAOYSA-N -2 3 354.783 0.758 20 0 FCADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)nn1C ZINC001606077372 1288156256 /nfs/dbraw/zinc/15/62/56/1288156256.db2.gz RXALUBCTVORYJM-UHFFFAOYSA-N -2 3 354.783 0.758 20 0 FCADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)nn1C ZINC001606077372 1288156262 /nfs/dbraw/zinc/15/62/62/1288156262.db2.gz RXALUBCTVORYJM-UHFFFAOYSA-N -2 3 354.783 0.758 20 0 FCADHL Cc1nc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)ccc1-c1nnn[n-]1 ZINC001609453652 1289159416 /nfs/dbraw/zinc/15/94/16/1289159416.db2.gz NKULIBQAJNYPAX-UHFFFAOYSA-N -2 3 360.403 0.904 20 0 FCADHL Cc1nc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)ccc1-c1nn[n-]n1 ZINC001609453652 1289159419 /nfs/dbraw/zinc/15/94/19/1289159419.db2.gz NKULIBQAJNYPAX-UHFFFAOYSA-N -2 3 360.403 0.904 20 0 FCADHL Cc1nscc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001606163970 1288195157 /nfs/dbraw/zinc/19/51/57/1288195157.db2.gz ZSSZAFSDDXLKNZ-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1nscc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606163970 1288195162 /nfs/dbraw/zinc/19/51/62/1288195162.db2.gz ZSSZAFSDDXLKNZ-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1oc(-c2nnn[n-]2)cc1C(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC001606169060 1288196807 /nfs/dbraw/zinc/19/68/07/1288196807.db2.gz LIJHJCHXPMAYIF-UHFFFAOYSA-N -2 3 359.346 0.668 20 0 FCADHL Cc1oc(-c2nn[n-]n2)cc1C(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC001606169060 1288196811 /nfs/dbraw/zinc/19/68/11/1288196811.db2.gz LIJHJCHXPMAYIF-UHFFFAOYSA-N -2 3 359.346 0.668 20 0 FCADHL CN1C[C@@H](C(=O)[O-])N(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1=O ZINC001606200598 1288207964 /nfs/dbraw/zinc/20/79/64/1288207964.db2.gz YCDXRTIWFPBQIO-NSHDSACASA-N -2 3 363.757 0.549 20 0 FCADHL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001606237835 1288226118 /nfs/dbraw/zinc/22/61/18/1288226118.db2.gz RMXNDFFSALMDCM-VXGBXAGGSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001606237835 1288226120 /nfs/dbraw/zinc/22/61/20/1288226120.db2.gz RMXNDFFSALMDCM-VXGBXAGGSA-N -2 3 354.374 0.690 20 0 FCADHL CNC(=O)c1n[n-]nc1NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001606292903 1288257155 /nfs/dbraw/zinc/25/71/55/1288257155.db2.gz ZMMVNPGSIZHDBL-MRXNPFEDSA-N -2 3 358.358 0.425 20 0 FCADHL COC(=O)[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])CC(C)C ZINC001606329688 1288262523 /nfs/dbraw/zinc/26/25/23/1288262523.db2.gz LWGBLIAQVXABBH-QMMMGPOBSA-N -2 3 350.418 0.955 20 0 FCADHL COC(=O)[C@H](CCC(=O)[O-])N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001606335146 1288263824 /nfs/dbraw/zinc/26/38/24/1288263824.db2.gz YYDJFBMFSZPYMJ-AWEZNQCLSA-N -2 3 350.371 0.556 20 0 FCADHL COC(=O)[C@@H]1CN(C(=O)c2cc(OC)c([O-])c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001606420006 1288302404 /nfs/dbraw/zinc/30/24/04/1288302404.db2.gz GXMCZYBGOFNDEC-VHSXEESVSA-N -2 3 353.327 0.355 20 0 FCADHL COC(=O)[C@@H]1CN(C(=O)c2cc(OC)c([O-])c(OC)c2)C[C@H]1C(=O)[O-] ZINC001606420001 1288302483 /nfs/dbraw/zinc/30/24/83/1288302483.db2.gz GXMCZYBGOFNDEC-NXEZZACHSA-N -2 3 353.327 0.355 20 0 FCADHL Cn1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc2cccnc21 ZINC001609476984 1289170866 /nfs/dbraw/zinc/17/08/66/1289170866.db2.gz OUBMNMZOKCAPBO-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL Cn1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc2cccnc21 ZINC001609476984 1289170872 /nfs/dbraw/zinc/17/08/72/1289170872.db2.gz OUBMNMZOKCAPBO-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL COC(=O)C[C@]1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCOC1 ZINC001606446836 1288322755 /nfs/dbraw/zinc/32/27/55/1288322755.db2.gz OCUZMRCOQYEGIP-GFCCVEGCSA-N -2 3 364.401 0.232 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001606591803 1288399869 /nfs/dbraw/zinc/39/98/69/1288399869.db2.gz WQWMLZUCJIFROP-UHFFFAOYSA-N -2 3 354.374 0.639 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001606591803 1288399876 /nfs/dbraw/zinc/39/98/76/1288399876.db2.gz WQWMLZUCJIFROP-UHFFFAOYSA-N -2 3 354.374 0.639 20 0 FCADHL CO[C@@H]1CCC[C@@H]([C@@H](CO)[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001606737824 1288477292 /nfs/dbraw/zinc/47/72/92/1288477292.db2.gz LUFDCKHROYRIGT-GMTAPVOTSA-N -2 3 361.420 0.261 20 0 FCADHL COCC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC001606858384 1288541487 /nfs/dbraw/zinc/54/14/87/1288541487.db2.gz KKKKNEYWFFEDFZ-CQSZACIVSA-N -2 3 374.397 0.679 20 0 FCADHL COCCNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606896829 1288554277 /nfs/dbraw/zinc/55/42/77/1288554277.db2.gz YKQXCFXQTQCAKV-NSHDSACASA-N -2 3 362.404 0.433 20 0 FCADHL O=C([O-])[C@@H](CC1CC1)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001606958749 1288574635 /nfs/dbraw/zinc/57/46/35/1288574635.db2.gz GCSKHXBNUQCTQC-GFCCVEGCSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001606959226 1288575217 /nfs/dbraw/zinc/57/52/17/1288575217.db2.gz JSFQXOYGHCTXEK-UHFFFAOYSA-N -2 3 367.387 0.026 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001606959226 1288575220 /nfs/dbraw/zinc/57/52/20/1288575220.db2.gz JSFQXOYGHCTXEK-UHFFFAOYSA-N -2 3 367.387 0.026 20 0 FCADHL O=C([O-])CCCCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001606959981 1288575256 /nfs/dbraw/zinc/57/52/56/1288575256.db2.gz DYJUADVRGCORDG-UHFFFAOYSA-N -2 3 359.390 0.555 20 0 FCADHL O=C([O-])CCCCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001606959981 1288575259 /nfs/dbraw/zinc/57/52/59/1288575259.db2.gz DYJUADVRGCORDG-UHFFFAOYSA-N -2 3 359.390 0.555 20 0 FCADHL O=C([O-])[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCOC1 ZINC001606959707 1288575487 /nfs/dbraw/zinc/57/54/87/1288575487.db2.gz LTGSVSMTTACOOH-GFCCVEGCSA-N -2 3 373.778 0.042 20 0 FCADHL O=C([O-])[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCOC1 ZINC001606959707 1288575488 /nfs/dbraw/zinc/57/54/88/1288575488.db2.gz LTGSVSMTTACOOH-GFCCVEGCSA-N -2 3 373.778 0.042 20 0 FCADHL O=C([O-])C1(C(=O)N2CCN(c3ccsc3-c3nnn[n-]3)CC2)CCC1 ZINC001606959138 1288575628 /nfs/dbraw/zinc/57/56/28/1288575628.db2.gz HQJZEHRSBJCDFA-UHFFFAOYSA-N -2 3 362.415 0.832 20 0 FCADHL O=C([O-])C1CN(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001606960749 1288576412 /nfs/dbraw/zinc/57/64/12/1288576412.db2.gz LIYFDULEQVNNPW-UHFFFAOYSA-N -2 3 371.401 0.562 20 0 FCADHL O=C([O-])C1CN(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC001606960749 1288576414 /nfs/dbraw/zinc/57/64/14/1288576414.db2.gz LIYFDULEQVNNPW-UHFFFAOYSA-N -2 3 371.401 0.562 20 0 FCADHL O=C([O-])[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001606961308 1288576513 /nfs/dbraw/zinc/57/65/13/1288576513.db2.gz ZRJSQMLIQHQELQ-QMMMGPOBSA-N -2 3 357.417 0.707 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001606961609 1288576640 /nfs/dbraw/zinc/57/66/40/1288576640.db2.gz WJXFPFBAOYWXOA-SECBINFHSA-N -2 3 355.351 0.242 20 0 FCADHL O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1C(F)F ZINC001606962081 1288577397 /nfs/dbraw/zinc/57/73/97/1288577397.db2.gz CNMIBDVLVWIORK-NXEZZACHSA-N -2 3 373.341 0.453 20 0 FCADHL O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1C(F)F ZINC001606962081 1288577400 /nfs/dbraw/zinc/57/74/00/1288577400.db2.gz CNMIBDVLVWIORK-NXEZZACHSA-N -2 3 373.341 0.453 20 0 FCADHL O=C([O-])[C@H](CC1CC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001606962270 1288577477 /nfs/dbraw/zinc/57/74/77/1288577477.db2.gz MZZIXWYGPNJKQD-NSHDSACASA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001606961774 1288577684 /nfs/dbraw/zinc/57/76/84/1288577684.db2.gz XXVMQIRMOOTOCP-QMMMGPOBSA-N -2 3 373.341 0.773 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001606961774 1288577687 /nfs/dbraw/zinc/57/76/87/1288577687.db2.gz XXVMQIRMOOTOCP-QMMMGPOBSA-N -2 3 373.341 0.773 20 0 FCADHL O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001606962247 1288577824 /nfs/dbraw/zinc/57/78/24/1288577824.db2.gz LZDDTNJVRMHLQO-FKQCQYRASA-N -2 3 357.779 0.662 20 0 FCADHL O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001606962247 1288577829 /nfs/dbraw/zinc/57/78/29/1288577829.db2.gz LZDDTNJVRMHLQO-FKQCQYRASA-N -2 3 357.779 0.662 20 0 FCADHL O=C([O-])c1csc(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC001606962795 1288577934 /nfs/dbraw/zinc/57/79/34/1288577934.db2.gz KGDQHEPHSJITOM-UHFFFAOYSA-N -2 3 366.384 0.500 20 0 FCADHL O=C([O-])c1csc(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC001606962795 1288577939 /nfs/dbraw/zinc/57/79/39/1288577939.db2.gz KGDQHEPHSJITOM-UHFFFAOYSA-N -2 3 366.384 0.500 20 0 FCADHL O=C(c1ccccc1[O-])N1CC[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001607023876 1288595143 /nfs/dbraw/zinc/59/51/43/1288595143.db2.gz MZRCEPJVDRBTCY-NSHDSACASA-N -2 3 366.385 0.358 20 0 FCADHL O=C([N-]C[C@@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001607031133 1288601580 /nfs/dbraw/zinc/60/15/80/1288601580.db2.gz UHAMFHZYBFLIBW-QMMMGPOBSA-N -2 3 372.307 0.990 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001607034214 1288605278 /nfs/dbraw/zinc/60/52/78/1288605278.db2.gz XLFNJIYMJDTFPC-NSHDSACASA-N -2 3 366.385 0.937 20 0 FCADHL O=C1COc2ccc(S(=O)(=O)[N-]c3ncccc3-c3nn[n-]n3)cc2N1 ZINC001607047711 1288615356 /nfs/dbraw/zinc/61/53/56/1288615356.db2.gz FCVHSUKZLYVFCQ-UHFFFAOYSA-N -2 3 373.354 0.393 20 0 FCADHL O=C1COc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2N1 ZINC001607047802 1288615925 /nfs/dbraw/zinc/61/59/25/1288615925.db2.gz KFCRSBUOIQMEJP-UHFFFAOYSA-N -2 3 373.354 0.393 20 0 FCADHL O=C1COc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2N1 ZINC001607047802 1288615930 /nfs/dbraw/zinc/61/59/30/1288615930.db2.gz KFCRSBUOIQMEJP-UHFFFAOYSA-N -2 3 373.354 0.393 20 0 FCADHL O=S(=O)(NCCNc1ncccc1-c1nnn[n-]1)c1ccccc1[O-] ZINC001607066030 1288638624 /nfs/dbraw/zinc/63/86/24/1288638624.db2.gz GMGRNFDGWDRJFC-UHFFFAOYSA-N -2 3 361.387 0.358 20 0 FCADHL O=S(=O)(NCCNc1ncccc1-c1nn[n-]n1)c1ccccc1[O-] ZINC001607066030 1288638625 /nfs/dbraw/zinc/63/86/25/1288638625.db2.gz GMGRNFDGWDRJFC-UHFFFAOYSA-N -2 3 361.387 0.358 20 0 FCADHL O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001607069138 1288641450 /nfs/dbraw/zinc/64/14/50/1288641450.db2.gz ZMNLFSGFAWCPRX-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(C)c(C)c2)c1C(=O)[O-] ZINC001607773151 1288738269 /nfs/dbraw/zinc/73/82/69/1288738269.db2.gz GZMYXDLXXKWKMU-CYBMUJFWSA-N -2 3 367.427 0.915 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CN(C)Cc3ccccc32)c1C(=O)[O-] ZINC001607939354 1288749350 /nfs/dbraw/zinc/74/93/50/1288749350.db2.gz BYDGHLSRZOUDCR-GFCCVEGCSA-N -2 3 350.400 0.881 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)N=c2nc(-c3cccs3)[n-]n2C)c1C(=O)[O-] ZINC001607938720 1288749766 /nfs/dbraw/zinc/74/97/66/1288749766.db2.gz VKRUIERMKXHNHL-UHFFFAOYSA-N -2 3 368.400 0.496 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2ccc3c(c2)CC(=O)N3C)c1C(=O)[O-] ZINC001607938451 1288749997 /nfs/dbraw/zinc/74/99/97/1288749997.db2.gz QUZITYHDVAYXCQ-UHFFFAOYSA-N -2 3 364.383 0.414 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@@H]2C)c1C(=O)[O-] ZINC001607939328 1288750097 /nfs/dbraw/zinc/75/00/97/1288750097.db2.gz BNTJDUDDILTERN-WPRPVWTQSA-N -2 3 358.420 0.484 20 0 FCADHL Cn1nccc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001608162693 1288784434 /nfs/dbraw/zinc/78/44/34/1288784434.db2.gz KZITWCFXYLJRDT-PWSUYJOCSA-N -2 3 355.372 0.910 20 0 FCADHL O=C([O-])[C@@H](CCF)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001608339823 1288825228 /nfs/dbraw/zinc/82/52/28/1288825228.db2.gz KYAHERFKEAXKCA-ZCFIWIBFSA-N -2 3 358.800 0.609 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609086542 1288910550 /nfs/dbraw/zinc/91/05/50/1288910550.db2.gz LHOICSRHYSSJBM-JOYOIKCWSA-N -2 3 353.404 0.890 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609086542 1288910556 /nfs/dbraw/zinc/91/05/56/1288910556.db2.gz LHOICSRHYSSJBM-JOYOIKCWSA-N -2 3 353.404 0.890 20 0 FCADHL C[C@@H](CSCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001609115230 1288929293 /nfs/dbraw/zinc/92/92/93/1288929293.db2.gz PFCPXNALTQGZOZ-VIFPVBQESA-N -2 3 371.444 0.599 20 0 FCADHL C[C@@H](CSCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001609115230 1288929302 /nfs/dbraw/zinc/92/93/02/1288929302.db2.gz PFCPXNALTQGZOZ-VIFPVBQESA-N -2 3 371.444 0.599 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H](C)C(=O)[O-] ZINC001609125931 1288933696 /nfs/dbraw/zinc/93/36/96/1288933696.db2.gz XHURPMVOZMMOPG-NKWVEPMBSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H](C)C(=O)[O-] ZINC001609125931 1288933702 /nfs/dbraw/zinc/93/37/02/1288933702.db2.gz XHURPMVOZMMOPG-NKWVEPMBSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCCCO1 ZINC001609142945 1288945216 /nfs/dbraw/zinc/94/52/16/1288945216.db2.gz SUPJNLDYXWNZTB-OAHLLOKOSA-N -2 3 365.415 0.772 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCCCO1 ZINC001609142945 1288945218 /nfs/dbraw/zinc/94/52/18/1288945218.db2.gz SUPJNLDYXWNZTB-OAHLLOKOSA-N -2 3 365.415 0.772 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@H]1C(=O)[O-] ZINC001609166220 1288959359 /nfs/dbraw/zinc/95/93/59/1288959359.db2.gz LIJSRDWKRDKRBQ-PRHODGIISA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609161646 1288959370 /nfs/dbraw/zinc/95/93/70/1288959370.db2.gz WVSZNDQEOMNOPA-ZJUUUORDSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609161646 1288959371 /nfs/dbraw/zinc/95/93/71/1288959371.db2.gz WVSZNDQEOMNOPA-ZJUUUORDSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C(=O)[O-])C1 ZINC001609168958 1288962860 /nfs/dbraw/zinc/96/28/60/1288962860.db2.gz SHPFNNGYPMVYRU-BXKDBHETSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C(=O)[O-])C1 ZINC001609168958 1288962863 /nfs/dbraw/zinc/96/28/63/1288962863.db2.gz SHPFNNGYPMVYRU-BXKDBHETSA-N -2 3 351.388 0.741 20 0 FCADHL CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001609184356 1288974836 /nfs/dbraw/zinc/97/48/36/1288974836.db2.gz XBBFHLYMTHPVQP-PELKAZGASA-N -2 3 368.419 0.690 20 0 FCADHL CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001609184356 1288974842 /nfs/dbraw/zinc/97/48/42/1288974842.db2.gz XBBFHLYMTHPVQP-PELKAZGASA-N -2 3 368.419 0.690 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001609189563 1288978665 /nfs/dbraw/zinc/97/86/65/1288978665.db2.gz LJZYIYDVLBAPNT-VIFPVBQESA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609199116 1288983686 /nfs/dbraw/zinc/98/36/86/1288983686.db2.gz PJARGEMGAIQSFK-NWDGAFQWSA-N -2 3 351.388 0.741 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609199116 1288983695 /nfs/dbraw/zinc/98/36/95/1288983695.db2.gz PJARGEMGAIQSFK-NWDGAFQWSA-N -2 3 351.388 0.741 20 0 FCADHL CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001609236619 1289011136 /nfs/dbraw/zinc/01/11/36/1289011136.db2.gz VLUJPRZIIUUYOY-QMMMGPOBSA-N -2 3 355.376 0.105 20 0 FCADHL CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001609236619 1289011142 /nfs/dbraw/zinc/01/11/42/1289011142.db2.gz VLUJPRZIIUUYOY-QMMMGPOBSA-N -2 3 355.376 0.105 20 0 FCADHL O=C([O-])[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC001609530499 1289200099 /nfs/dbraw/zinc/20/00/99/1289200099.db2.gz GTYMLBMPKAYWAG-FZMZJTMJSA-N -2 3 361.358 0.242 20 0 FCADHL O=C([O-])Cc1ccccc1CNS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609572291 1289233869 /nfs/dbraw/zinc/23/38/69/1289233869.db2.gz OZEBJCTWGLAWCM-UHFFFAOYSA-N -2 3 374.382 0.367 20 0 FCADHL O=C([O-])Cc1ccccc1CNS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609572291 1289233878 /nfs/dbraw/zinc/23/38/78/1289233878.db2.gz OZEBJCTWGLAWCM-UHFFFAOYSA-N -2 3 374.382 0.367 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609572235 1289234121 /nfs/dbraw/zinc/23/41/21/1289234121.db2.gz METMSKKRIDLUJB-ZYHUDNBSSA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609572235 1289234125 /nfs/dbraw/zinc/23/41/25/1289234125.db2.gz METMSKKRIDLUJB-ZYHUDNBSSA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC001609572501 1289234310 /nfs/dbraw/zinc/23/43/10/1289234310.db2.gz BEQGEUPOVSXAIC-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC001609572501 1289234315 /nfs/dbraw/zinc/23/43/15/1289234315.db2.gz BEQGEUPOVSXAIC-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001609578127 1289236099 /nfs/dbraw/zinc/23/60/99/1289236099.db2.gz ABUFXNZUWBUHFL-UHFFFAOYSA-N -2 3 354.286 0.702 20 0 FCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001609578127 1289236103 /nfs/dbraw/zinc/23/61/03/1289236103.db2.gz ABUFXNZUWBUHFL-UHFFFAOYSA-N -2 3 354.286 0.702 20 0 FCADHL CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)[C@H]2C1 ZINC001609584142 1289239728 /nfs/dbraw/zinc/23/97/28/1289239728.db2.gz MDIPWTRSTMOPCN-SRVKXCTJSA-N -2 3 356.400 0.903 20 0 FCADHL CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)[C@@H]2C1 ZINC001609584143 1289239861 /nfs/dbraw/zinc/23/98/61/1289239861.db2.gz MDIPWTRSTMOPCN-TUAOUCFPSA-N -2 3 356.400 0.903 20 0 FCADHL O=C(c1ncccc1[O-])N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001609585263 1289241134 /nfs/dbraw/zinc/24/11/34/1289241134.db2.gz FVWRJMBELBBOKF-UHFFFAOYSA-N -2 3 352.358 0.325 20 0 FCADHL O=C(c1ncccc1[O-])N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001609585263 1289241140 /nfs/dbraw/zinc/24/11/40/1289241140.db2.gz FVWRJMBELBBOKF-UHFFFAOYSA-N -2 3 352.358 0.325 20 0 FCADHL CC[C@H](C)C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC001609904952 1289326665 /nfs/dbraw/zinc/32/66/65/1289326665.db2.gz OMJZDOSWASTBKG-GZMMTYOYSA-N -2 3 361.420 0.575 20 0 FCADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])[C@@]12CCCO2 ZINC001610027893 1289350624 /nfs/dbraw/zinc/35/06/24/1289350624.db2.gz BMHBOIGIPCMOQG-RWEMILLDSA-N -2 3 362.429 0.846 20 0 FCADHL CCc1ncc(S(=O)(=O)[N-]C2(C(=O)[O-])CCS(=O)(=O)CC2)s1 ZINC001610072918 1289362219 /nfs/dbraw/zinc/36/22/19/1289362219.db2.gz HUPLLMQTYNORDG-UHFFFAOYSA-N -2 3 368.458 0.016 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001610194385 1289420729 /nfs/dbraw/zinc/42/07/29/1289420729.db2.gz QNMOTWUPAKYVFN-YMTOWFKASA-N -2 3 359.404 0.817 20 0 FCADHL COC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001610243157 1289435606 /nfs/dbraw/zinc/43/56/06/1289435606.db2.gz IBNHOTYAPQOOCP-LBPRGKRZSA-N -2 3 355.771 0.853 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)c1C(=O)[O-] ZINC001610549933 1289506499 /nfs/dbraw/zinc/50/64/99/1289506499.db2.gz PRQJIDFNFFSEGP-GFCCVEGCSA-N -2 3 353.400 0.861 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001610549830 1289506781 /nfs/dbraw/zinc/50/67/81/1289506781.db2.gz KRYKTCFLANBWLT-PRHODGIISA-N -2 3 357.363 0.956 20 0 FCADHL NC(=O)[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1)c1ccccn1 ZINC001610634935 1289535188 /nfs/dbraw/zinc/53/51/88/1289535188.db2.gz LDTIPJCCQKJNPH-GFCCVEGCSA-N -2 3 355.416 0.563 20 0 FCADHL NC(=O)CO[N-]C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001610637726 1289536128 /nfs/dbraw/zinc/53/61/28/1289536128.db2.gz KWNLIXKKTBJWQF-UHFFFAOYSA-N -2 3 351.237 0.864 20 0 FCADHL O=C(NCc1ccc([O-])c(Br)c1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001610697766 1289559238 /nfs/dbraw/zinc/55/92/38/1289559238.db2.gz ZJWHLXDIQYVWJM-DTORHVGOSA-N -2 3 371.187 0.750 20 0 FCADHL O=C([O-])Cc1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001610793504 1289594083 /nfs/dbraw/zinc/59/40/83/1289594083.db2.gz DFWRPAHFWOVWQZ-UHFFFAOYSA-N -2 3 364.305 0.929 20 0 FCADHL O=C([O-])c1cnc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cn1 ZINC001610860901 1289611530 /nfs/dbraw/zinc/61/15/30/1289611530.db2.gz RDXYWOWPQCIDSK-UHFFFAOYSA-N -2 3 356.338 0.479 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)nc2)c1 ZINC001610866936 1289613255 /nfs/dbraw/zinc/61/32/55/1289613255.db2.gz HOXLQIMXHWDOAX-UHFFFAOYSA-N -2 3 367.383 0.688 20 0 FCADHL COc1cccc(S(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000746467383 836184223 /nfs/dbraw/zinc/18/42/23/836184223.db2.gz SPQQAFULLWNKJH-UHFFFAOYSA-N -2 3 351.384 0.855 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccn(C(F)F)n1 ZINC000826450702 836527741 /nfs/dbraw/zinc/52/77/41/836527741.db2.gz ZMKGGMFHPHVEIV-UHFFFAOYSA-N -2 3 369.313 0.577 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccn(C(F)F)n1 ZINC000826450702 836527747 /nfs/dbraw/zinc/52/77/47/836527747.db2.gz ZMKGGMFHPHVEIV-UHFFFAOYSA-N -2 3 369.313 0.577 20 0 FCADHL CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001116605330 846716987 /nfs/dbraw/zinc/71/69/87/846716987.db2.gz QUHOBPRWTWQONL-SECBINFHSA-N -2 3 363.386 0.187 20 0 FCADHL CCOC(=O)c1ncc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])[n-]1 ZINC001148917166 849620937 /nfs/dbraw/zinc/62/09/37/849620937.db2.gz NGDMUFQRDPRNDN-UHFFFAOYSA-N -3 3 355.328 0.791 20 0 FCADHL CCOC(=O)c1nc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c[n-]1 ZINC001148917166 849620941 /nfs/dbraw/zinc/62/09/41/849620941.db2.gz NGDMUFQRDPRNDN-UHFFFAOYSA-N -3 3 355.328 0.791 20 0 FCADHL O=C(Cc1ccc(N2CCNC2=O)cc1)NCCCCP(=O)([O-])[O-] ZINC001182056491 851148451 /nfs/dbraw/zinc/14/84/51/851148451.db2.gz SHRJDSNXUNWDPI-UHFFFAOYSA-N -2 3 355.331 0.833 20 0 FCADHL COCCn1ncc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185574068 851364614 /nfs/dbraw/zinc/36/46/14/851364614.db2.gz SXSGIUNQSUKVQC-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COCCn1ncc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185574068 851364622 /nfs/dbraw/zinc/36/46/22/851364622.db2.gz SXSGIUNQSUKVQC-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL CCOC(Cc1c(=O)[n-]cnc1NS(=O)(=O)c1ncc[n-]1)OCC ZINC001190690254 851943659 /nfs/dbraw/zinc/94/36/59/851943659.db2.gz XSXPLQDGBBSRKB-UHFFFAOYSA-N -2 3 357.392 0.648 20 0 FCADHL O=C([O-])CCc1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001192162841 852190652 /nfs/dbraw/zinc/19/06/52/852190652.db2.gz PIGJZZBHJFNWDQ-UHFFFAOYSA-N -3 3 365.344 0.940 20 0 FCADHL NC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001192726089 852283153 /nfs/dbraw/zinc/28/31/53/852283153.db2.gz KHZZINYMYFHBRX-UHFFFAOYSA-N -2 3 364.379 0.979 20 0 FCADHL CS(=O)(=O)c1cc(C(=O)NCCCCP(=O)([O-])[O-])ccc1F ZINC001194389807 852589701 /nfs/dbraw/zinc/58/97/01/852589701.db2.gz JRWCGKOJUKHJPS-UHFFFAOYSA-N -2 3 353.308 0.917 20 0 FCADHL CCOC(=O)C([N-]S(=O)(=O)c1ncccc1C(F)(F)F)=C(C)[O-] ZINC001194586321 852618089 /nfs/dbraw/zinc/61/80/89/852618089.db2.gz GDKGTRMVTBKLGB-VIFPVBQESA-N -2 3 354.306 0.899 20 0 FCADHL CC(=O)N1C[C@@H]2C[C@]2([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195248914 852731821 /nfs/dbraw/zinc/73/18/21/852731821.db2.gz KGSIXCRFRCSIJG-RTHLEPHNSA-N -2 3 360.338 0.562 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CN(c3cnccn3)C2)c(F)cc1F ZINC001195258286 852732793 /nfs/dbraw/zinc/73/27/93/852732793.db2.gz NHXPZEPWPOUANC-UHFFFAOYSA-N -2 3 370.337 0.620 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CC3(COC3)C2)c(F)cc1F ZINC001195258282 852732813 /nfs/dbraw/zinc/73/28/13/852732813.db2.gz NGWARNQNEXULFP-UHFFFAOYSA-N -2 3 362.354 0.274 20 0 FCADHL C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCC(=O)NC1=O ZINC001195257748 852732931 /nfs/dbraw/zinc/73/29/31/852732931.db2.gz HNMFZINABMCQEA-CYBMUJFWSA-N -2 3 362.310 0.137 20 0 FCADHL C[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCC(=O)NC1=O ZINC001195257749 852732957 /nfs/dbraw/zinc/73/29/57/852732957.db2.gz HNMFZINABMCQEA-ZDUSSCGKSA-N -2 3 362.310 0.137 20 0 FCADHL CC(=O)N1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195263750 852734939 /nfs/dbraw/zinc/73/49/39/852734939.db2.gz GRVZGLTVYVAKRA-SECBINFHSA-N -2 3 362.354 0.810 20 0 FCADHL COc1cc(Br)ccc1S(=O)(=O)NCCP(=O)([O-])[O-] ZINC001196624455 852988252 /nfs/dbraw/zinc/98/82/52/852988252.db2.gz VAUIGCBVUCRSFO-UHFFFAOYSA-N -2 3 374.149 0.914 20 0 FCADHL N[C@H](CCC(=O)OCc1ccccc1)C(=O)NCCOP(=O)([O-])[O-] ZINC001220221007 856018309 /nfs/dbraw/zinc/01/83/09/856018309.db2.gz NQIMHSYUVPEVBO-GFCCVEGCSA-N -2 3 360.303 0.063 20 0 FCADHL CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)CCO2 ZINC001227569287 857166076 /nfs/dbraw/zinc/16/60/76/857166076.db2.gz YEIHVJAZFQFJNK-VIFPVBQESA-N -2 3 354.363 0.830 20 0 FCADHL COC(=O)CCc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc1 ZINC001259328295 858259730 /nfs/dbraw/zinc/25/97/30/858259730.db2.gz ZITBMJMCHZVDHF-UHFFFAOYSA-N -2 3 351.317 0.248 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3CCO)o1 ZINC000324862244 971164441 /nfs/dbraw/zinc/16/44/41/971164441.db2.gz OEYJVESJQNRWDA-JTQLQIEISA-N -2 3 355.372 0.523 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc(=O)[nH]1 ZINC000826260541 947752112 /nfs/dbraw/zinc/75/21/12/947752112.db2.gz TVMSFNNWLJDGIZ-UHFFFAOYSA-N -2 3 374.382 0.536 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc(=O)[nH]1 ZINC000826260541 947752121 /nfs/dbraw/zinc/75/21/21/947752121.db2.gz TVMSFNNWLJDGIZ-UHFFFAOYSA-N -2 3 374.382 0.536 20 0 FCADHL CC(C)[C@]1(CO)CCCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001574090125 948977454 /nfs/dbraw/zinc/97/74/54/948977454.db2.gz LKBZBVDRSAPHEU-QGZVFWFLSA-N -2 3 372.433 0.846 20 0 FCADHL CC[C@]1(C(=O)[O-])CCCN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC001589590978 949084003 /nfs/dbraw/zinc/08/40/03/949084003.db2.gz ACGOTBHEOCSXDJ-HNNXBMFYSA-N -2 3 373.431 0.673 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC001574471098 949528146 /nfs/dbraw/zinc/52/81/46/949528146.db2.gz JEXCTHBJERRNNL-UHFFFAOYSA-N -2 3 353.343 0.374 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)n1 ZINC001574471098 949528167 /nfs/dbraw/zinc/52/81/67/949528167.db2.gz JEXCTHBJERRNNL-UHFFFAOYSA-N -2 3 353.343 0.374 20 0 FCADHL C[C@H](CN(C)C(=O)c1ccccc1[O-])Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574759917 950652322 /nfs/dbraw/zinc/65/23/22/950652322.db2.gz PZFQPYZFXBVQMM-SNVBAGLBSA-N -2 3 354.374 0.357 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])Nc1ncccc1-c1nnn[n-]1 ZINC001574767343 950847985 /nfs/dbraw/zinc/84/79/85/950847985.db2.gz QSBUFAMDKFTSGU-JTQLQIEISA-N -2 3 354.374 0.935 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])Nc1ncccc1-c1nn[n-]n1 ZINC001574767343 950848004 /nfs/dbraw/zinc/84/80/04/950848004.db2.gz QSBUFAMDKFTSGU-JTQLQIEISA-N -2 3 354.374 0.935 20 0 FCADHL O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1ncccc1[O-] ZINC001571023726 951433931 /nfs/dbraw/zinc/43/39/31/951433931.db2.gz NEIGUMXBIJSBQS-NSHDSACASA-N -2 3 366.385 0.761 20 0 FCADHL O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1ncccc1[O-] ZINC001571023726 951433936 /nfs/dbraw/zinc/43/39/36/951433936.db2.gz NEIGUMXBIJSBQS-NSHDSACASA-N -2 3 366.385 0.761 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571027518 951496487 /nfs/dbraw/zinc/49/64/87/951496487.db2.gz OBXXSDQJNMDPMB-VHSXEESVSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571027518 951496490 /nfs/dbraw/zinc/49/64/90/951496490.db2.gz OBXXSDQJNMDPMB-VHSXEESVSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571027517 951496757 /nfs/dbraw/zinc/49/67/57/951496757.db2.gz OBXXSDQJNMDPMB-UWVGGRQHSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571027517 951496763 /nfs/dbraw/zinc/49/67/63/951496763.db2.gz OBXXSDQJNMDPMB-UWVGGRQHSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1nccnc1-c1nnn[n-]1 ZINC001575065880 951588982 /nfs/dbraw/zinc/58/89/82/951588982.db2.gz CJKSGBGZNYGPOK-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1nccnc1-c1nn[n-]n1 ZINC001575065880 951588988 /nfs/dbraw/zinc/58/89/88/951588988.db2.gz CJKSGBGZNYGPOK-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575066562 951596749 /nfs/dbraw/zinc/59/67/49/951596749.db2.gz GSDSIXVDKMHYQI-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL CCn1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC001571053577 951833284 /nfs/dbraw/zinc/83/32/84/951833284.db2.gz CITKBZUCAJZAIA-UHFFFAOYSA-N -2 3 369.357 0.840 20 0 FCADHL O=C([O-])CNC(=O)CN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001595097690 951834327 /nfs/dbraw/zinc/83/43/27/951834327.db2.gz ZHGAWDTYYKTSHR-JTQLQIEISA-N -2 3 373.331 0.860 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1ccsc1 ZINC001571054196 951838477 /nfs/dbraw/zinc/83/84/77/951838477.db2.gz NYROSVPHISKSNA-SNVBAGLBSA-N -2 3 369.384 0.714 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1[O-] ZINC001571056928 951883792 /nfs/dbraw/zinc/88/37/92/951883792.db2.gz MMKQXBGNDGARFK-JTQLQIEISA-N -2 3 369.389 0.398 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1[O-] ZINC001571056928 951883800 /nfs/dbraw/zinc/88/38/00/951883800.db2.gz MMKQXBGNDGARFK-JTQLQIEISA-N -2 3 369.389 0.398 20 0 FCADHL CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@](C)(C(=O)[O-])c1ccccc1 ZINC001593709456 954178873 /nfs/dbraw/zinc/17/88/73/954178873.db2.gz WISRASRCRQZUPR-WHEQGISXSA-N -2 3 363.461 0.438 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001594501554 955324609 /nfs/dbraw/zinc/32/46/09/955324609.db2.gz BOUSTQHLYTTWBM-UHFFFAOYSA-N -2 3 373.431 0.673 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001594503287 955341372 /nfs/dbraw/zinc/34/13/72/955341372.db2.gz VBFCPPLKZATVCB-UHFFFAOYSA-N -2 3 359.404 0.329 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)c(Br)n1 ZINC001594549648 955714454 /nfs/dbraw/zinc/71/44/54/955714454.db2.gz RGBJMAGQQAKOKQ-RQJHMYQMSA-N -2 3 352.210 0.714 20 0 FCADHL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)C(C)C)c1OC ZINC000013360394 957037994 /nfs/dbraw/zinc/03/79/94/957037994.db2.gz SNBKSRXLOIMVFF-AATRIKPKSA-N -3 3 372.399 0.767 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](Cc2ccncc2)C(=O)[O-])s1 ZINC001588525732 958853639 /nfs/dbraw/zinc/85/36/39/958853639.db2.gz BRKQEFRWVZCMCL-SNVBAGLBSA-N -2 3 370.412 0.471 20 0 FCADHL CCN(C)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000217888411 959779609 /nfs/dbraw/zinc/77/96/09/959779609.db2.gz WLZAIKBNKSJKDQ-UHFFFAOYSA-N -2 3 369.193 0.497 20 0 FCADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001574247927 960495293 /nfs/dbraw/zinc/49/52/93/960495293.db2.gz IMMWXYMWXYQPTP-CQSZACIVSA-N -2 3 360.363 0.447 20 0 FCADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001574307146 960744522 /nfs/dbraw/zinc/74/45/22/960744522.db2.gz VLAMWCXHOFZHGP-JTQLQIEISA-N -2 3 350.375 0.165 20 0 FCADHL CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)Nc2ncccc2[O-])C1 ZINC001588701009 960810274 /nfs/dbraw/zinc/81/02/74/960810274.db2.gz XHCBEGWHTSYFNN-MRXNPFEDSA-N -2 3 367.358 0.816 20 0 FCADHL COC(=O)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001574077303 962282067 /nfs/dbraw/zinc/28/20/67/962282067.db2.gz OAZSWDRNYSVUAG-STQMWFEESA-N -2 3 374.390 0.293 20 0 FCADHL O=C([O-])C1=NO[C@@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)C1 ZINC001574643816 962364666 /nfs/dbraw/zinc/36/46/66/962364666.db2.gz IAYJWRIBCSVLST-GFCCVEGCSA-N -2 3 358.310 0.935 20 0 FCADHL O=C([O-])C1=NO[C@@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)C1 ZINC001574643816 962364677 /nfs/dbraw/zinc/36/46/77/962364677.db2.gz IAYJWRIBCSVLST-GFCCVEGCSA-N -2 3 358.310 0.935 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ccc1F ZINC001604248846 972773023 /nfs/dbraw/zinc/77/30/23/972773023.db2.gz NFUUKTMWWUNRHO-NWDGAFQWSA-N -2 3 370.402 0.917 20 0 FCADHL CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC001603601718 973857079 /nfs/dbraw/zinc/85/70/79/973857079.db2.gz XQECNSIJUICKPR-HNNXBMFYSA-N -2 3 350.379 0.806 20 0 FCADHL C[C@H](CC(=O)N[C@@H](CF)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001592243625 977468750 /nfs/dbraw/zinc/46/87/50/977468750.db2.gz YJLHKXCDEXAVAV-SFYZADRCSA-N -2 3 367.786 0.331 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2OCCCO2)c(Br)o1 ZINC000716413131 977835429 /nfs/dbraw/zinc/83/54/29/977835429.db2.gz MPUYHHZVJPXTON-UHFFFAOYSA-N -2 3 370.177 0.782 20 0 FCADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC001592716342 979215654 /nfs/dbraw/zinc/21/56/54/979215654.db2.gz QWQLZWIXMCPODI-BYPYZUCNSA-N -3 3 356.150 0.739 20 0 FCADHL CC[C@](O)(CCC(F)(F)F)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001595326511 980539346 /nfs/dbraw/zinc/53/93/46/980539346.db2.gz LAFWIDIKTNDBKE-JTQLQIEISA-N -2 3 359.326 0.870 20 0 FCADHL CCN1CCN(CC(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001596434249 984109928 /nfs/dbraw/zinc/10/99/28/984109928.db2.gz MOHPWPCIKNMATK-UHFFFAOYSA-N -2 3 360.436 0.067 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-] ZINC001596696534 984835510 /nfs/dbraw/zinc/83/55/10/984835510.db2.gz HBONDPFIVMTNGV-SNVBAGLBSA-N -2 3 361.420 0.920 20 0 FCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@](C)(COC)C(=O)[O-])c(F)c1 ZINC001596726481 984983432 /nfs/dbraw/zinc/98/34/32/984983432.db2.gz QUBZWFKODNEKBB-CQSZACIVSA-N -2 3 363.363 0.770 20 0 FCADHL CC(=O)c1[nH]c(CC(=O)N2CCc3nc[n-]c(=O)c3C2)c(C(=O)[O-])c1C ZINC001589238214 985812061 /nfs/dbraw/zinc/81/20/61/985812061.db2.gz PCWCFNQTKYQXAF-UHFFFAOYSA-N -2 3 358.354 0.847 20 0 FCADHL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001594648437 986853672 /nfs/dbraw/zinc/85/36/72/986853672.db2.gz JDBUWQMPVIQXDD-JMJZKYOTSA-N -2 3 374.440 0.648 20 0 FCADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001597231190 987188026 /nfs/dbraw/zinc/18/80/26/987188026.db2.gz CVTQSRSZLIZZLM-LBPRGKRZSA-N -2 3 369.443 0.537 20 0 FCADHL C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@H]1CC(=O)[O-] ZINC001599855792 989085606 /nfs/dbraw/zinc/08/56/06/989085606.db2.gz QXAXTFIPAPLJMB-HTQZYQBOSA-N -2 3 374.191 0.281 20 0 FCADHL CS(=O)(=O)CC1CCC([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001599747982 991953819 /nfs/dbraw/zinc/95/38/19/991953819.db2.gz ICXDSEYZXRBGNI-UHFFFAOYSA-N -2 3 365.429 0.860 20 0 FCADHL CN1C[C@H](C(=O)[O-])N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1=O ZINC001598566518 993151791 /nfs/dbraw/zinc/15/17/91/993151791.db2.gz XDMFEMQXLRELBQ-SNVBAGLBSA-N -2 3 356.338 0.809 20 0 FCADHL CN1C[C@@H](CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1=O ZINC001598567798 993163291 /nfs/dbraw/zinc/16/32/91/993163291.db2.gz WNJQUNKWTOOYRV-QMMMGPOBSA-N -2 3 362.354 0.810 20 0 FCADHL COc1ccc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)cc1C(=O)[O-] ZINC001599610997 993953772 /nfs/dbraw/zinc/95/37/72/993953772.db2.gz ZJMGVHNXQWHLNP-UHFFFAOYSA-N -2 3 365.367 0.636 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)ccc1F ZINC001598673620 994802925 /nfs/dbraw/zinc/80/29/25/994802925.db2.gz WCMXSFLLLCOOOY-HNNXBMFYSA-N -2 3 374.390 0.488 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])c(C)o1 ZINC001598673614 994803029 /nfs/dbraw/zinc/80/30/29/994803029.db2.gz WBTNTVFDYQAFLZ-MWLCHTKSSA-N -2 3 360.388 0.248 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)NCc1ccccc1 ZINC001593348325 994964926 /nfs/dbraw/zinc/96/49/26/994964926.db2.gz ZVTVNUUWIZUREY-VIFPVBQESA-N -2 3 369.424 0.825 20 0 FCADHL COc1cccc(OCCC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001599682251 995001567 /nfs/dbraw/zinc/00/15/67/995001567.db2.gz PJCKBMCLKFJCIY-UHFFFAOYSA-N -2 3 355.372 0.864 20 0 FCADHL COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001598696384 995145123 /nfs/dbraw/zinc/14/51/23/995145123.db2.gz CMAPYTAGFLAKFU-SSDOTTSWSA-N -2 3 356.278 0.552 20 0 FCADHL COC(=O)[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001598699129 995193329 /nfs/dbraw/zinc/19/33/29/995193329.db2.gz WUNFCFOEFVLZON-KGLIPLIRSA-N -2 3 371.411 0.915 20 0 FCADHL COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598702390 995239954 /nfs/dbraw/zinc/23/99/54/995239954.db2.gz BVGNPCACPOGQQZ-FRRDWIJNSA-N -2 3 356.400 0.338 20 0 FCADHL COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001598705943 995286349 /nfs/dbraw/zinc/28/63/49/995286349.db2.gz ZVQCXQBGGCSUGM-JTQLQIEISA-N -2 3 354.340 0.435 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001598709805 995334572 /nfs/dbraw/zinc/33/45/72/995334572.db2.gz PYOYOFLSTCHRAJ-UHTWSYAYSA-N -2 3 357.384 0.692 20 0 FCADHL COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001598766204 995834660 /nfs/dbraw/zinc/83/46/60/995834660.db2.gz CZDOYUUKAGJXEH-JOYOIKCWSA-N -2 3 360.322 0.049 20 0 FCADHL COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001598841941 996533007 /nfs/dbraw/zinc/53/30/07/996533007.db2.gz VGFRCBSAVAMMGW-ZETCQYMHSA-N -2 3 369.754 0.380 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccsc1 ZINC001598912314 997392323 /nfs/dbraw/zinc/39/23/23/997392323.db2.gz RYUMPGVPXUOXNE-VIFPVBQESA-N -2 3 359.385 0.670 20 0 FCADHL COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599212738 997530887 /nfs/dbraw/zinc/53/08/87/997530887.db2.gz HTDRYPGOXPLCTB-JTQLQIEISA-N -2 3 357.388 0.935 20 0 FCADHL COCCOC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCOCC1 ZINC001599245973 998144564 /nfs/dbraw/zinc/14/45/64/998144564.db2.gz FAILLLRDYFPZRM-UHFFFAOYSA-N -2 3 363.388 0.468 20 0 FCADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000296881307 214368474 /nfs/dbraw/zinc/36/84/74/214368474.db2.gz FOHLBHQLPRRJEI-SNVBAGLBSA-N -2 3 374.346 0.005 20 0 FCADHL CCOC[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000290921073 214002759 /nfs/dbraw/zinc/00/27/59/214002759.db2.gz HQSNQDJVXKPKNQ-SECBINFHSA-N -2 3 353.194 0.612 20 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0.834 20 0 FCADHL Cc1ocnc1C[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000546264546 547039686 /nfs/dbraw/zinc/03/96/86/547039686.db2.gz QMYYZWZNCNENTA-UHFFFAOYSA-N -2 3 354.340 0.931 20 0 FCADHL Cc1ocnc1C[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000546265019 547039745 /nfs/dbraw/zinc/03/97/45/547039745.db2.gz OGYNNFJIKIEOJZ-UHFFFAOYSA-N -2 3 353.356 0.276 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC[C@H]1CCCO1 ZINC000737299558 598975262 /nfs/dbraw/zinc/97/52/62/598975262.db2.gz RUKUTMJFADFKOQ-GFCCVEGCSA-N -2 3 365.415 0.939 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC[C@H]1CCCO1 ZINC000737299558 598975264 /nfs/dbraw/zinc/97/52/64/598975264.db2.gz RUKUTMJFADFKOQ-GFCCVEGCSA-N -2 3 365.415 0.939 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737488601 599034066 /nfs/dbraw/zinc/03/40/66/599034066.db2.gz SAEWBQUXBNJZLU-UHFFFAOYSA-N -2 3 365.357 0.557 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737488601 599034068 /nfs/dbraw/zinc/03/40/68/599034068.db2.gz SAEWBQUXBNJZLU-UHFFFAOYSA-N -2 3 365.357 0.557 20 0 FCADHL O=C1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc2N1 ZINC000738304094 599099279 /nfs/dbraw/zinc/09/92/79/599099279.db2.gz XABGDJCZZZCJBA-UHFFFAOYSA-N -2 3 371.382 0.947 20 0 FCADHL O=C1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc2N1 ZINC000738304094 599099282 /nfs/dbraw/zinc/09/92/82/599099282.db2.gz XABGDJCZZZCJBA-UHFFFAOYSA-N -2 3 371.382 0.947 20 0 FCADHL Cc1[nH]nc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1C ZINC000737201832 599150588 /nfs/dbraw/zinc/15/05/88/599150588.db2.gz JLEHVRDMQLMBAY-UHFFFAOYSA-N -2 3 361.387 0.466 20 0 FCADHL O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000769516015 597166385 /nfs/dbraw/zinc/16/63/85/597166385.db2.gz LZBDQEAOEVJNHU-LBPRGKRZSA-N -2 3 356.375 0.956 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1F ZINC000826268389 607779722 /nfs/dbraw/zinc/77/97/22/607779722.db2.gz VSTNAWAWFAKXBS-UHFFFAOYSA-N -2 3 368.325 0.900 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1F ZINC000826268389 607779723 /nfs/dbraw/zinc/77/97/23/607779723.db2.gz VSTNAWAWFAKXBS-UHFFFAOYSA-N -2 3 368.325 0.900 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cocn1 ZINC000738138534 598415252 /nfs/dbraw/zinc/41/52/52/598415252.db2.gz FKFXGTDMECIEOO-UHFFFAOYSA-N -2 3 354.735 0.627 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cocn1 ZINC000738138534 598415254 /nfs/dbraw/zinc/41/52/54/598415254.db2.gz FKFXGTDMECIEOO-UHFFFAOYSA-N -2 3 354.735 0.627 20 0 FCADHL O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ncccc1[O-] ZINC000738034560 598473950 /nfs/dbraw/zinc/47/39/50/598473950.db2.gz HWCDZTQONQKKEO-UHFFFAOYSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737799869 598762657 /nfs/dbraw/zinc/76/26/57/598762657.db2.gz XHYAEKNSMXCPBX-BHQIHCQQSA-N -2 3 363.399 0.654 20 0 FCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737799869 598762659 /nfs/dbraw/zinc/76/26/59/598762659.db2.gz XHYAEKNSMXCPBX-BHQIHCQQSA-N -2 3 363.399 0.654 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)c[n-]1 ZINC000821669011 599342738 /nfs/dbraw/zinc/34/27/38/599342738.db2.gz UMJMTKALSXQTIT-UHFFFAOYSA-N -2 3 367.318 0.888 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)c[n-]1 ZINC000821669011 599342740 /nfs/dbraw/zinc/34/27/40/599342740.db2.gz UMJMTKALSXQTIT-UHFFFAOYSA-N -2 3 367.318 0.888 20 0 FCADHL Cc1ncsc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737500695 599360219 /nfs/dbraw/zinc/36/02/19/599360219.db2.gz RFNSSAYSRAWIHX-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1ncsc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737500695 599360222 /nfs/dbraw/zinc/36/02/22/599360222.db2.gz RFNSSAYSRAWIHX-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL O=C(CCC1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822950261 599620199 /nfs/dbraw/zinc/62/01/99/599620199.db2.gz HNEJQFJESQQJGR-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL O=C(CCC1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822950261 599620200 /nfs/dbraw/zinc/62/02/00/599620200.db2.gz HNEJQFJESQQJGR-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL O=C(Cc1cccnc1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823114666 599621989 /nfs/dbraw/zinc/62/19/89/599621989.db2.gz ACTZNKVCLITDGG-UHFFFAOYSA-N -2 3 358.383 0.450 20 0 FCADHL O=C(Cc1cccnc1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823114666 599621990 /nfs/dbraw/zinc/62/19/90/599621990.db2.gz ACTZNKVCLITDGG-UHFFFAOYSA-N -2 3 358.383 0.450 20 0 FCADHL COc1cccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000738082982 599768769 /nfs/dbraw/zinc/76/87/69/599768769.db2.gz IUVLFJRCZULWIZ-UHFFFAOYSA-N -2 3 368.367 0.695 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCOCC3)c2)o1 ZINC000740177628 599770466 /nfs/dbraw/zinc/77/04/66/599770466.db2.gz OENVLFGNQYNIBA-UHFFFAOYSA-N -2 3 367.383 0.688 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1cc(C(=O)[O-])co1 ZINC000738944434 599879453 /nfs/dbraw/zinc/87/94/53/599879453.db2.gz ICFINHSLUBLZFH-UHFFFAOYSA-N -2 3 358.328 0.604 20 0 FCADHL C[C@H](CC(=O)NC(C)(C)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000736541229 600174388 /nfs/dbraw/zinc/17/43/88/600174388.db2.gz HAOGAXRUMCBKGJ-MRVPVSSYSA-N -2 3 363.823 0.771 20 0 FCADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000737577228 600444257 /nfs/dbraw/zinc/44/42/57/600444257.db2.gz VMSDQLZUCCDIDB-ZETCQYMHSA-N -2 3 357.171 0.683 20 0 FCADHL CCOC(=O)C1([N-]S(=O)(=O)CCCC(=O)[O-])Cc2ccccc2C1 ZINC000737133406 600496865 /nfs/dbraw/zinc/49/68/65/600496865.db2.gz FDLBZRLZDRPKLI-UHFFFAOYSA-N -2 3 355.412 0.871 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)o1 ZINC000736263160 600536880 /nfs/dbraw/zinc/53/68/80/600536880.db2.gz ZDNQQPHWXVYPQR-UHFFFAOYSA-N -3 3 371.375 0.354 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-] ZINC000736242455 600643022 /nfs/dbraw/zinc/64/30/22/600643022.db2.gz NQXZLNFVUYIAGA-QMMMGPOBSA-N -2 3 362.180 0.327 20 0 FCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc2c(c1)OCCCO2 ZINC000826492282 607462795 /nfs/dbraw/zinc/46/27/95/607462795.db2.gz AXZAMWZSEKDYDZ-UHFFFAOYSA-N -2 3 363.359 0.552 20 0 FCADHL Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2=O)cn1 ZINC000833047338 600763237 /nfs/dbraw/zinc/76/32/37/600763237.db2.gz PLTQCVLPDMDWDO-JTQLQIEISA-N -2 3 368.371 0.185 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC000324597590 600777339 /nfs/dbraw/zinc/77/73/39/600777339.db2.gz HMHVFZANAFDXPZ-CYBMUJFWSA-N -2 3 352.368 0.916 20 0 FCADHL CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1=O ZINC000826956392 601129309 /nfs/dbraw/zinc/12/93/09/601129309.db2.gz NICVDDPDLARXDN-LBPRGKRZSA-N -2 3 354.384 0.340 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)cc1C(=O)[O-] ZINC000833027400 601214613 /nfs/dbraw/zinc/21/46/13/601214613.db2.gz SFHGPRGBNWGYAC-UHFFFAOYSA-N -2 3 374.396 0.412 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)c1F ZINC000833110369 601229398 /nfs/dbraw/zinc/22/93/98/601229398.db2.gz PDZQVUKDJCYYLO-UHFFFAOYSA-N -2 3 374.321 0.851 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCN2CCSCC2)c1F ZINC000391443870 601235483 /nfs/dbraw/zinc/23/54/83/601235483.db2.gz ZQDFFDHMOOYUTE-UHFFFAOYSA-N -2 3 366.411 0.990 20 0 FCADHL C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1=O ZINC000828201300 601239459 /nfs/dbraw/zinc/23/94/59/601239459.db2.gz QWYZZRDINHSLRV-KHQFGBGNSA-N -2 3 374.365 0.951 20 0 FCADHL CCc1nncn1CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000830338842 601239708 /nfs/dbraw/zinc/23/97/08/601239708.db2.gz DBRYYKYCRNLJJP-UHFFFAOYSA-N -2 3 360.342 0.795 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000831651223 601263021 /nfs/dbraw/zinc/26/30/21/601263021.db2.gz TXLQBSAZCNYXHM-WPRPVWTQSA-N -2 3 362.429 0.506 20 0 FCADHL Cn1cc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1C(=O)[O-] ZINC000833047134 601316021 /nfs/dbraw/zinc/31/60/21/601316021.db2.gz IJVNIYAYAHYEGV-UHFFFAOYSA-N -2 3 371.147 0.387 20 0 FCADHL CC[C@@](C)(CC(=O)[O-])NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000828634694 601464482 /nfs/dbraw/zinc/46/44/82/601464482.db2.gz XLAZMOUEMLQOLF-LBPRGKRZSA-N -2 3 362.180 0.471 20 0 FCADHL CCc1n[n-]c(S(=O)(=O)CC(=O)Nc2cc(C(=O)[O-])ccc2C)n1 ZINC000830335681 601604432 /nfs/dbraw/zinc/60/44/32/601604432.db2.gz UVQQVYWAAMYRST-UHFFFAOYSA-N -2 3 352.372 0.786 20 0 FCADHL CCc1nnc(S(=O)(=O)CC(=O)Nc2cc(C(=O)[O-])ccc2C)[n-]1 ZINC000830335681 601604433 /nfs/dbraw/zinc/60/44/33/601604433.db2.gz UVQQVYWAAMYRST-UHFFFAOYSA-N -2 3 352.372 0.786 20 0 FCADHL COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C1=O ZINC000832622967 601812316 /nfs/dbraw/zinc/81/23/16/601812316.db2.gz KJPSQHMEQICDDS-GHMZBOCLSA-N -2 3 356.400 0.441 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000828020423 601849783 /nfs/dbraw/zinc/84/97/83/601849783.db2.gz PWCIONDULGOCRV-SCLBCKFNSA-N -2 3 360.366 0.809 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000828020422 601849847 /nfs/dbraw/zinc/84/98/47/601849847.db2.gz PWCIONDULGOCRV-FZKQIMNGSA-N -2 3 360.366 0.809 20 0 FCADHL C[C@H](CC(=O)NC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000827234612 602136739 /nfs/dbraw/zinc/13/67/39/602136739.db2.gz GGKLPXPXIJLTCJ-RKDXNWHRSA-N -2 3 363.823 0.629 20 0 FCADHL CC[C@H](SC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825160184 607616153 /nfs/dbraw/zinc/61/61/53/607616153.db2.gz YCMCLCCLRPRFOU-NSHDSACASA-N -2 3 355.445 0.954 20 0 FCADHL CC[C@H](SC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825160184 607616155 /nfs/dbraw/zinc/61/61/55/607616155.db2.gz YCMCLCCLRPRFOU-NSHDSACASA-N -2 3 355.445 0.954 20 0 FCADHL O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488374 607624247 /nfs/dbraw/zinc/62/42/47/607624247.db2.gz OHAQSPVFCBIBQK-WDEREUQCSA-N -2 3 359.358 0.727 20 0 FCADHL CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824071996 607635088 /nfs/dbraw/zinc/63/50/88/607635088.db2.gz PZAAQPVDNNNPTO-JTQLQIEISA-N -2 3 361.374 0.830 20 0 FCADHL CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824193297 607650183 /nfs/dbraw/zinc/65/01/83/607650183.db2.gz WQOZRSKMVSGADH-LLVKDONJSA-N -2 3 361.374 0.830 20 0 FCADHL CC(C)[C@H](CCO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824193299 607650379 /nfs/dbraw/zinc/65/03/79/607650379.db2.gz WQOZRSKMVSGADH-NSHDSACASA-N -2 3 361.374 0.830 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449893 607777009 /nfs/dbraw/zinc/77/70/09/607777009.db2.gz NSIPVYZAMUVVSU-UHFFFAOYSA-N -2 3 350.335 0.594 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449893 607777010 /nfs/dbraw/zinc/77/70/10/607777010.db2.gz NSIPVYZAMUVVSU-UHFFFAOYSA-N -2 3 350.335 0.594 20 0 FCADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000820032760 606298600 /nfs/dbraw/zinc/29/86/00/606298600.db2.gz QGAZWOXWTLSLOW-GFCCVEGCSA-N -2 3 358.362 0.410 20 0 FCADHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000820032760 606298601 /nfs/dbraw/zinc/29/86/01/606298601.db2.gz QGAZWOXWTLSLOW-GFCCVEGCSA-N -2 3 358.362 0.410 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822950504 606406694 /nfs/dbraw/zinc/40/66/94/606406694.db2.gz QLPHLQCRAHUICT-SNVBAGLBSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822950504 606406696 /nfs/dbraw/zinc/40/66/96/606406696.db2.gz QLPHLQCRAHUICT-SNVBAGLBSA-N -2 3 351.388 0.488 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821859206 606459593 /nfs/dbraw/zinc/45/95/93/606459593.db2.gz MJXCPFTVHPXUAG-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821859206 606459595 /nfs/dbraw/zinc/45/95/95/606459595.db2.gz MJXCPFTVHPXUAG-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL CCc1ccccc1-n1cc([O-])c(C(=O)n2ncc(-c3nnn[n-]3)c2N)n1 ZINC000821492472 606584136 /nfs/dbraw/zinc/58/41/36/606584136.db2.gz NUVUWEDMEGNDFY-UHFFFAOYSA-N -2 3 365.357 0.788 20 0 FCADHL CCc1ccccc1-n1cc([O-])c(C(=O)n2ncc(-c3nn[n-]n3)c2N)n1 ZINC000821492472 606584137 /nfs/dbraw/zinc/58/41/37/606584137.db2.gz NUVUWEDMEGNDFY-UHFFFAOYSA-N -2 3 365.357 0.788 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000822622345 606710176 /nfs/dbraw/zinc/71/01/76/606710176.db2.gz BQXJHNNQEZKZKP-UHFFFAOYSA-N -3 3 355.361 0.161 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCO1 ZINC000820577059 606747898 /nfs/dbraw/zinc/74/78/98/606747898.db2.gz HWIOHHLEVBZJGD-ZDUSSCGKSA-N -2 3 371.806 0.894 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCO1 ZINC000820577059 606747900 /nfs/dbraw/zinc/74/79/00/606747900.db2.gz HWIOHHLEVBZJGD-ZDUSSCGKSA-N -2 3 371.806 0.894 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820973507 606839438 /nfs/dbraw/zinc/83/94/38/606839438.db2.gz XSLKTLNWPIGCDZ-JQWIXIFHSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820973507 606839440 /nfs/dbraw/zinc/83/94/40/606839440.db2.gz XSLKTLNWPIGCDZ-JQWIXIFHSA-N -2 3 351.388 0.629 20 0 FCADHL CN1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821623419 606886829 /nfs/dbraw/zinc/88/68/29/606886829.db2.gz LEYUVSHNOMFUNH-VIFPVBQESA-N -2 3 358.374 0.517 20 0 FCADHL CCOC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821314552 606886918 /nfs/dbraw/zinc/88/69/18/606886918.db2.gz LXMFBKJBZTXBJU-LURJTMIESA-N -2 3 361.330 0.375 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C)O1 ZINC000822222809 606923295 /nfs/dbraw/zinc/92/32/95/606923295.db2.gz UMWBSQWFUGQYOJ-GXSJLCMTSA-N -2 3 351.388 0.548 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C)O1 ZINC000822222809 606923297 /nfs/dbraw/zinc/92/32/97/606923297.db2.gz UMWBSQWFUGQYOJ-GXSJLCMTSA-N -2 3 351.388 0.548 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c[nH]1 ZINC000821668263 607025727 /nfs/dbraw/zinc/02/57/27/607025727.db2.gz XVWWETIWUXZEHD-UHFFFAOYSA-N -2 3 355.361 0.239 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000821700185 607110513 /nfs/dbraw/zinc/11/05/13/607110513.db2.gz GQSCIIQCCMSMEJ-HNNXBMFYSA-N -2 3 365.321 0.279 20 0 FCADHL CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000824029371 607776456 /nfs/dbraw/zinc/77/64/56/607776456.db2.gz JIQUUCIJVQEQFV-UHFFFAOYSA-N -2 3 360.355 0.516 20 0 FCADHL CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000824029371 607776457 /nfs/dbraw/zinc/77/64/57/607776457.db2.gz JIQUUCIJVQEQFV-UHFFFAOYSA-N -2 3 360.355 0.516 20 0 FCADHL O=S(=O)([N-][C@H]1CCCC[C@@H]1CO)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487875 607971547 /nfs/dbraw/zinc/97/15/47/607971547.db2.gz BZICLPVFVLXGQC-PELKAZGASA-N -2 3 373.385 0.974 20 0 FCADHL C[C@H](CO)CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824433720 607972281 /nfs/dbraw/zinc/97/22/81/607972281.db2.gz HFBQSFWISMJOLI-QMMMGPOBSA-N -2 3 361.374 0.832 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826402988 607985546 /nfs/dbraw/zinc/98/55/46/607985546.db2.gz HFLOHHNEOMVXJA-FPLPWBNLSA-N -2 3 370.394 0.921 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826402988 607985547 /nfs/dbraw/zinc/98/55/47/607985547.db2.gz HFLOHHNEOMVXJA-FPLPWBNLSA-N -2 3 370.394 0.921 20 0 FCADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826409319 607985722 /nfs/dbraw/zinc/98/57/22/607985722.db2.gz RIEGVNRLGKTNKI-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826409319 607985723 /nfs/dbraw/zinc/98/57/23/607985723.db2.gz RIEGVNRLGKTNKI-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826461246 608011460 /nfs/dbraw/zinc/01/14/60/608011460.db2.gz MOXCOBNKNIFUTF-NSHDSACASA-N -2 3 365.415 0.883 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826461246 608011461 /nfs/dbraw/zinc/01/14/61/608011461.db2.gz MOXCOBNKNIFUTF-NSHDSACASA-N -2 3 365.415 0.883 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)n1 ZINC000826357585 608220765 /nfs/dbraw/zinc/22/07/65/608220765.db2.gz KNVUWYQMKPSGAC-UHFFFAOYSA-N -2 3 355.330 0.820 20 0 FCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000825565639 608304871 /nfs/dbraw/zinc/30/48/71/608304871.db2.gz WZTFWRDTTDFPOR-UHFFFAOYSA-N -2 3 363.359 0.567 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824377451 608454743 /nfs/dbraw/zinc/45/47/43/608454743.db2.gz FGZCWOMRTPFWJX-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824377451 608454744 /nfs/dbraw/zinc/45/47/44/608454744.db2.gz FGZCWOMRTPFWJX-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)nc1C ZINC000825805075 608822056 /nfs/dbraw/zinc/82/20/56/608822056.db2.gz QNPBWTGPCWFHAA-UHFFFAOYSA-N -2 3 367.416 0.572 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)nc1C ZINC000825805075 608822057 /nfs/dbraw/zinc/82/20/57/608822057.db2.gz QNPBWTGPCWFHAA-UHFFFAOYSA-N -2 3 367.416 0.572 20 0 FCADHL COc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000826221873 608872245 /nfs/dbraw/zinc/87/22/45/608872245.db2.gz ZGCXAFNZLQUWQE-UHFFFAOYSA-N -2 3 356.755 0.448 20 0 FCADHL COc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000826221873 608872247 /nfs/dbraw/zinc/87/22/47/608872247.db2.gz ZGCXAFNZLQUWQE-UHFFFAOYSA-N -2 3 356.755 0.448 20 0 FCADHL CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824167195 609180172 /nfs/dbraw/zinc/18/01/72/609180172.db2.gz OIZAWRIUFXAXLN-UHFFFAOYSA-N -2 3 361.374 0.973 20 0 FCADHL CC(C)(C)OCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824119188 609384711 /nfs/dbraw/zinc/38/47/11/609384711.db2.gz CIHPRYPETJAISI-UHFFFAOYSA-N -2 3 353.404 0.628 20 0 FCADHL CC(C)(C)OCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824119188 609384713 /nfs/dbraw/zinc/38/47/13/609384713.db2.gz CIHPRYPETJAISI-UHFFFAOYSA-N -2 3 353.404 0.628 20 0 FCADHL COCCOc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000826162799 609469244 /nfs/dbraw/zinc/46/92/44/609469244.db2.gz SJGJQIPXLFVOMI-UHFFFAOYSA-N -2 3 365.375 0.416 20 0 FCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000826162799 609469247 /nfs/dbraw/zinc/46/92/47/609469247.db2.gz SJGJQIPXLFVOMI-UHFFFAOYSA-N -2 3 365.375 0.416 20 0 FCADHL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826461539 609506516 /nfs/dbraw/zinc/50/65/16/609506516.db2.gz YRCQIGXMRCIGND-LBPRGKRZSA-N -2 3 351.388 0.636 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)COc2ccccc2F)o1 ZINC000031488657 663250484 /nfs/dbraw/zinc/25/04/84/663250484.db2.gz UCSSYQZZWYWCFW-UHFFFAOYSA-N -2 3 371.346 0.167 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC000263173423 665238281 /nfs/dbraw/zinc/23/82/81/665238281.db2.gz SKQXHJOXGUJWHE-GMSGAONNSA-N -2 3 371.806 0.861 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] ZINC000263173423 665238283 /nfs/dbraw/zinc/23/82/83/665238283.db2.gz SKQXHJOXGUJWHE-GMSGAONNSA-N -2 3 371.806 0.861 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCSCC1 ZINC000738138548 665292537 /nfs/dbraw/zinc/29/25/37/665292537.db2.gz FNTRIADHIPIKMZ-UHFFFAOYSA-N -2 3 367.456 0.956 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCSCC1 ZINC000738138548 665292538 /nfs/dbraw/zinc/29/25/38/665292538.db2.gz FNTRIADHIPIKMZ-UHFFFAOYSA-N -2 3 367.456 0.956 20 0 FCADHL O=C([O-])CNC(=O)C[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC000907746414 666160390 /nfs/dbraw/zinc/16/03/90/666160390.db2.gz ICZACVHCHGEGPM-UHFFFAOYSA-N -2 3 365.130 0.858 20 0 FCADHL COCC1([N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]C2(COC)CC2)CC1 ZINC000766118321 668022225 /nfs/dbraw/zinc/02/22/25/668022225.db2.gz BTKDSCOXYJGCMA-UHFFFAOYSA-N -2 3 356.316 0.847 20 0 FCADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)[N-]OCc1ccccc1 ZINC000770113884 668172956 /nfs/dbraw/zinc/17/29/56/668172956.db2.gz UQUKSCJRXBUSRX-AWEZNQCLSA-N -2 3 372.443 0.742 20 0 FCADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000776437452 668261825 /nfs/dbraw/zinc/26/18/25/668261825.db2.gz NEXANLYEKBPNFZ-RXMQYKEDSA-N -3 3 357.171 0.985 20 0 FCADHL COCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776503642 668266730 /nfs/dbraw/zinc/26/67/30/668266730.db2.gz PRGOQDNETIKEND-ZETCQYMHSA-N -2 3 366.779 0.290 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2)cc1F ZINC000772758830 668326460 /nfs/dbraw/zinc/32/64/60/668326460.db2.gz FUKRPAZSPCVDMS-UHFFFAOYSA-N -2 3 362.360 0.909 20 0 FCADHL CCN(CC(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000780693855 668483907 /nfs/dbraw/zinc/48/39/07/668483907.db2.gz CUXVUPKMUSOLPD-UHFFFAOYSA-N -2 3 369.852 0.796 20 0 FCADHL C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000780694771 668483958 /nfs/dbraw/zinc/48/39/58/668483958.db2.gz JSDGLMWZCJCFCP-LURJTMIESA-N -2 3 355.825 0.452 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)c2cccnc2)cc1F ZINC000784898054 668680959 /nfs/dbraw/zinc/68/09/59/668680959.db2.gz USNJZSLTWWEDSN-UHFFFAOYSA-N -2 3 373.387 0.711 20 0 FCADHL COc1cccc(CS(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000785124172 668695095 /nfs/dbraw/zinc/69/50/95/668695095.db2.gz QGOPORCNECRWHB-UHFFFAOYSA-N -2 3 365.411 0.996 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)Cc1ccon1 ZINC000822928699 669306846 /nfs/dbraw/zinc/30/68/46/669306846.db2.gz KXTLMFIPTIVPKS-WAYWQWQTSA-N -2 3 360.355 0.514 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)Cc1ccon1 ZINC000822928699 669306847 /nfs/dbraw/zinc/30/68/47/669306847.db2.gz KXTLMFIPTIVPKS-WAYWQWQTSA-N -2 3 360.355 0.514 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824868882 669421855 /nfs/dbraw/zinc/42/18/55/669421855.db2.gz XFSFUSJAGBSCDH-MWLCHTKSSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824868882 669421859 /nfs/dbraw/zinc/42/18/59/669421859.db2.gz XFSFUSJAGBSCDH-MWLCHTKSSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1=O ZINC000824867149 669422055 /nfs/dbraw/zinc/42/20/55/669422055.db2.gz OIOPWWMEJDUJMH-GXSJLCMTSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC000824867149 669422056 /nfs/dbraw/zinc/42/20/56/669422056.db2.gz OIOPWWMEJDUJMH-GXSJLCMTSA-N -2 3 363.399 0.677 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825642904 669463251 /nfs/dbraw/zinc/46/32/51/669463251.db2.gz FBXHBJMBAXQLTH-UHFFFAOYSA-N -2 3 362.371 0.712 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825642904 669463257 /nfs/dbraw/zinc/46/32/57/669463257.db2.gz FBXHBJMBAXQLTH-UHFFFAOYSA-N -2 3 362.371 0.712 20 0 FCADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826267910 669489005 /nfs/dbraw/zinc/48/90/05/669489005.db2.gz BQJGFTBSSIJHOH-UHFFFAOYSA-N -2 3 350.335 0.761 20 0 FCADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826267910 669489009 /nfs/dbraw/zinc/48/90/09/669489009.db2.gz BQJGFTBSSIJHOH-UHFFFAOYSA-N -2 3 350.335 0.761 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000826358193 669491550 /nfs/dbraw/zinc/49/15/50/669491550.db2.gz JVQFSOGQMYCHGU-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000826358193 669491552 /nfs/dbraw/zinc/49/15/52/669491552.db2.gz JVQFSOGQMYCHGU-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)cn1 ZINC000833047092 669930065 /nfs/dbraw/zinc/93/00/65/669930065.db2.gz JQNXFKQBVOOJSP-JTQLQIEISA-N -2 3 354.388 0.659 20 0 FCADHL COC(=O)[C@@H](F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000840897303 670525097 /nfs/dbraw/zinc/52/50/97/670525097.db2.gz QUINEWVYTVWPRU-BYPYZUCNSA-N -2 3 374.140 0.530 20 0 FCADHL CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000846766572 671147622 /nfs/dbraw/zinc/14/76/22/671147622.db2.gz HPTRXZSFFILIEM-UHFFFAOYSA-N -2 3 357.367 0.744 20 0 FCADHL CC(C)OC(=O)CCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852733652 671520036 /nfs/dbraw/zinc/52/00/36/671520036.db2.gz VIAPTXRHILSELF-MWLCHTKSSA-N -2 3 354.325 0.924 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC[C@@H]1C(=O)[O-] ZINC000861717504 671984570 /nfs/dbraw/zinc/98/45/70/671984570.db2.gz FDSXDQRKNBMYIS-RQJHMYQMSA-N -2 3 363.296 0.009 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCOC1CCOCC1 ZINC000863533800 672134230 /nfs/dbraw/zinc/13/42/30/672134230.db2.gz YRPOFHVUZMFQLZ-RYUDHWBXSA-N -2 3 368.352 0.778 20 0 FCADHL CCCC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000262234606 1178874942 /nfs/dbraw/zinc/87/49/42/1178874942.db2.gz AEXRCJSZJPYKJC-KOLCDFICSA-N -2 3 361.420 0.718 20 0 FCADHL O=C(N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O)c1ncccc1[O-] ZINC001076916976 1195076759 /nfs/dbraw/zinc/07/67/59/1195076759.db2.gz LPTHUUVRNJPADN-TZMCWYRMSA-N -2 3 371.397 0.135 20 0 FCADHL CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1nnc2ccccc2c1[O-] ZINC000737970646 1199028129 /nfs/dbraw/zinc/02/81/29/1199028129.db2.gz FDZKDAHICNNBJL-NSHDSACASA-N -2 3 372.381 0.731 20 0 FCADHL O=C(Nc1[n-]c(=O)nc2nc[nH]c21)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190628901 1207710868 /nfs/dbraw/zinc/71/08/68/1207710868.db2.gz DTHMANFHYTWBRQ-UHFFFAOYSA-N -2 3 350.298 0.868 20 0 FCADHL O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnc(C2CC2)[n-]c1=O ZINC001096119206 1218063694 /nfs/dbraw/zinc/06/36/94/1218063694.db2.gz FWTIFHGXPLWUFD-USWWRNFRSA-N -2 3 371.401 0.419 20 0 FCADHL COC(=O)[C@@H](Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12)c1ccccc1F ZINC001226885710 1225856330 /nfs/dbraw/zinc/85/63/30/1225856330.db2.gz AVWOZLOTFOBSNB-JTQLQIEISA-N -2 3 362.273 0.969 20 0 FCADHL COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc(=O)c2ccc(OC)cc2[n-]1 ZINC001154119867 1223000550 /nfs/dbraw/zinc/00/05/50/1223000550.db2.gz UVTFUGXODMEFLD-NSHDSACASA-N -2 3 362.338 0.673 20 0 FCADHL CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Oc1[n-]c(=O)nc3cn[n-]c31)CO2 ZINC001233933480 1259554776 /nfs/dbraw/zinc/55/47/76/1259554776.db2.gz BWNXOSZFJNPUHY-VIFPVBQESA-N -2 3 363.374 0.803 20 0 FCADHL C[C@H]1CN(c2ccnc(C(=O)NCc3nc([O-])cc(=O)[n-]3)c2)C[C@H](C)O1 ZINC001301575220 1263011504 /nfs/dbraw/zinc/01/15/04/1263011504.db2.gz GBFSRHIBGWCEQT-QWRGUYRKSA-N -2 3 359.386 0.826 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC001306539441 1263185023 /nfs/dbraw/zinc/18/50/23/1263185023.db2.gz OUWBXMSBRGEKQG-NSHDSACASA-N -2 3 373.438 0.704 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001580386531 1278209744 /nfs/dbraw/zinc/20/97/44/1278209744.db2.gz XCUJMHYQSIRSNL-ZJUUUORDSA-N -2 3 367.373 0.155 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001580386531 1278209758 /nfs/dbraw/zinc/20/97/58/1278209758.db2.gz XCUJMHYQSIRSNL-ZJUUUORDSA-N -2 3 367.373 0.155 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001580624441 1278576895 /nfs/dbraw/zinc/57/68/95/1278576895.db2.gz LBTWSXZQUZBYOL-SNVBAGLBSA-N -2 3 358.362 0.764 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001580624441 1278576898 /nfs/dbraw/zinc/57/68/98/1278576898.db2.gz LBTWSXZQUZBYOL-SNVBAGLBSA-N -2 3 358.362 0.764 20 0 FCADHL C[C@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001574629349 1271427824 /nfs/dbraw/zinc/42/78/24/1271427824.db2.gz QVPRGSMJYQGGPE-SECBINFHSA-N -2 3 370.373 0.234 20 0 FCADHL C[C@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001574629349 1271427827 /nfs/dbraw/zinc/42/78/27/1271427827.db2.gz QVPRGSMJYQGGPE-SECBINFHSA-N -2 3 370.373 0.234 20 0 FCADHL C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nc1)NC(=O)c1ncccc1[O-] ZINC001574791790 1271528651 /nfs/dbraw/zinc/52/86/51/1271528651.db2.gz FROROPXCQCQRPY-JTQLQIEISA-N -2 3 354.374 0.617 20 0 FCADHL C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nc1)NC(=O)c1ncccc1[O-] ZINC001574791790 1271528657 /nfs/dbraw/zinc/52/86/57/1271528657.db2.gz FROROPXCQCQRPY-JTQLQIEISA-N -2 3 354.374 0.617 20 0 FCADHL C[C@@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574804259 1271542464 /nfs/dbraw/zinc/54/24/64/1271542464.db2.gz RUYUXHZXFHOWSY-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001575355094 1271984525 /nfs/dbraw/zinc/98/45/25/1271984525.db2.gz DLPZKUGBUUJHOQ-RKDXNWHRSA-N -2 3 371.357 0.953 20 0 FCADHL C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001575438996 1272109092 /nfs/dbraw/zinc/10/90/92/1272109092.db2.gz RPJUWNQOPGOZOI-UWVGGRQHSA-N -2 3 354.374 0.859 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580695110 1278737525 /nfs/dbraw/zinc/73/75/25/1278737525.db2.gz RSBHHHUQQZBFME-SECBINFHSA-N -2 3 355.362 0.296 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580695110 1278737529 /nfs/dbraw/zinc/73/75/29/1278737529.db2.gz RSBHHHUQQZBFME-SECBINFHSA-N -2 3 355.362 0.296 20 0 FCADHL CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001576851401 1273801838 /nfs/dbraw/zinc/80/18/38/1273801838.db2.gz LUXKQTYHHWDHRP-SNVBAGLBSA-N -2 3 371.405 0.928 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1cncc(-c2nnn[n-]2)n1 ZINC001576916122 1273931141 /nfs/dbraw/zinc/93/11/41/1273931141.db2.gz AILKXLCOVGQJIY-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1cncc(-c2nn[n-]n2)n1 ZINC001576916122 1273931148 /nfs/dbraw/zinc/93/11/48/1273931148.db2.gz AILKXLCOVGQJIY-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@H](O)[C@@H]1CCCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576998845 1274033111 /nfs/dbraw/zinc/03/31/11/1274033111.db2.gz JXFRYRPBMMTCEM-STQMWFEESA-N -2 3 358.406 0.740 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1[O-] ZINC001580753426 1278869369 /nfs/dbraw/zinc/86/93/69/1278869369.db2.gz IWXPTPSLUISAGQ-ZETCQYMHSA-N -2 3 372.393 0.323 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1[O-] ZINC001580753426 1278869380 /nfs/dbraw/zinc/86/93/80/1278869380.db2.gz IWXPTPSLUISAGQ-ZETCQYMHSA-N -2 3 372.393 0.323 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC001578101624 1275404588 /nfs/dbraw/zinc/40/45/88/1275404588.db2.gz MCVYUGQYGOPYKD-UHFFFAOYSA-N -2 3 354.374 0.619 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC001578101624 1275404590 /nfs/dbraw/zinc/40/45/90/1275404590.db2.gz MCVYUGQYGOPYKD-UHFFFAOYSA-N -2 3 354.374 0.619 20 0 FCADHL CCc1nc(-c2nnn[n-]2)cc(N(C)CCNC(=O)c2ncccc2[O-])n1 ZINC001578571768 1276003026 /nfs/dbraw/zinc/00/30/26/1276003026.db2.gz XRXRMLVSJJXDSA-UHFFFAOYSA-N -2 3 369.389 0.186 20 0 FCADHL CCc1nc(-c2nn[n-]n2)cc(N(C)CCNC(=O)c2ncccc2[O-])n1 ZINC001578571768 1276003030 /nfs/dbraw/zinc/00/30/30/1276003030.db2.gz XRXRMLVSJJXDSA-UHFFFAOYSA-N -2 3 369.389 0.186 20 0 FCADHL CN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)Cc1n[n-]c(=O)o1 ZINC001579010906 1276584814 /nfs/dbraw/zinc/58/48/14/1276584814.db2.gz OUYRHVIWRRBTHX-UHFFFAOYSA-N -2 3 364.753 0.679 20 0 FCADHL CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)Cc1n[n-]c(=O)o1 ZINC001579010906 1276584821 /nfs/dbraw/zinc/58/48/21/1276584821.db2.gz OUYRHVIWRRBTHX-UHFFFAOYSA-N -2 3 364.753 0.679 20 0 FCADHL CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Cc1n[n-]c(=O)o1 ZINC001579011201 1276585003 /nfs/dbraw/zinc/58/50/03/1276585003.db2.gz XZGLSXOOMZHFRX-UHFFFAOYSA-N -2 3 364.753 0.679 20 0 FCADHL CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Cc1n[n-]c(=O)o1 ZINC001579011201 1276585013 /nfs/dbraw/zinc/58/50/13/1276585013.db2.gz XZGLSXOOMZHFRX-UHFFFAOYSA-N -2 3 364.753 0.679 20 0 FCADHL CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579141275 1276857511 /nfs/dbraw/zinc/85/75/11/1276857511.db2.gz WVGOKBCSCLSCTN-UHFFFAOYSA-N -2 3 370.373 0.140 20 0 FCADHL CN(CCN(C)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ncccc1[O-] ZINC001579145240 1276871847 /nfs/dbraw/zinc/87/18/47/1276871847.db2.gz XYFHZPSTFKRHEM-UHFFFAOYSA-N -2 3 354.374 0.571 20 0 FCADHL CN(CCN(C)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ncccc1[O-] ZINC001579145240 1276871864 /nfs/dbraw/zinc/87/18/64/1276871864.db2.gz XYFHZPSTFKRHEM-UHFFFAOYSA-N -2 3 354.374 0.571 20 0 FCADHL COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)[n-]1 ZINC001579476435 1277382848 /nfs/dbraw/zinc/38/28/48/1277382848.db2.gz KRQDUQQQGSPSGQ-UHFFFAOYSA-N -2 3 355.314 0.831 20 0 FCADHL COc1cc(S(=O)(=O)[N-]Cc2ccnc(-c3nnn[n-]3)c2)sn1 ZINC001579937236 1277971379 /nfs/dbraw/zinc/97/13/79/1277971379.db2.gz GPOKQJNPYDRPAJ-UHFFFAOYSA-N -2 3 353.389 0.205 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603160690 1287318100 /nfs/dbraw/zinc/31/81/00/1287318100.db2.gz LFYVOEFWGJOINR-UHFFFAOYSA-N -2 3 363.325 0.397 20 0 FCADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603351613 1287361121 /nfs/dbraw/zinc/36/11/21/1287361121.db2.gz FSBPWNMXQLRAKF-UHFFFAOYSA-N -2 3 354.392 0.272 20 0 FCADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603351613 1287361122 /nfs/dbraw/zinc/36/11/22/1287361122.db2.gz FSBPWNMXQLRAKF-UHFFFAOYSA-N -2 3 354.392 0.272 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581390645 1279820291 /nfs/dbraw/zinc/82/02/91/1279820291.db2.gz ALEKSMNHIFPRHF-YUMQZZPRSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)c1[O-] ZINC001581391376 1279821283 /nfs/dbraw/zinc/82/12/83/1279821283.db2.gz IDZVAZCUAPRCBD-VIFPVBQESA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NCC2(Nc3ncc(-c4nn[n-]n4)cc3F)CC2)c1[O-] ZINC001581391504 1279821486 /nfs/dbraw/zinc/82/14/86/1279821486.db2.gz JWNOKSLIGYAEKU-UHFFFAOYSA-N -2 3 373.352 0.512 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1[O-] ZINC001581391769 1279824594 /nfs/dbraw/zinc/82/45/94/1279824594.db2.gz VYYHQBHHUMCIMH-NKWVEPMBSA-N -2 3 358.366 0.013 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1[O-] ZINC001581391769 1279824602 /nfs/dbraw/zinc/82/46/02/1279824602.db2.gz VYYHQBHHUMCIMH-NKWVEPMBSA-N -2 3 358.366 0.013 20 0 FCADHL CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603601969 1287434328 /nfs/dbraw/zinc/43/43/28/1287434328.db2.gz GKPURLRFYAKNQP-GWCFXTLKSA-N -2 3 374.401 0.517 20 0 FCADHL CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603601969 1287434337 /nfs/dbraw/zinc/43/43/37/1287434337.db2.gz GKPURLRFYAKNQP-GWCFXTLKSA-N -2 3 374.401 0.517 20 0 FCADHL C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@@H](C)C(=O)[O-] ZINC001603676673 1287466351 /nfs/dbraw/zinc/46/63/51/1287466351.db2.gz LKAPNJYDCJRCOI-RNFRBKRXSA-N -2 3 359.795 0.908 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(-c2nnn[n-]2)s1 ZINC001582110754 1281063123 /nfs/dbraw/zinc/06/31/23/1281063123.db2.gz SMHAIUIBMJQVHS-UHFFFAOYSA-N -2 3 359.371 0.075 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(-c2nn[n-]n2)s1 ZINC001582110754 1281063131 /nfs/dbraw/zinc/06/31/31/1281063131.db2.gz SMHAIUIBMJQVHS-UHFFFAOYSA-N -2 3 359.371 0.075 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001582110943 1281063824 /nfs/dbraw/zinc/06/38/24/1281063824.db2.gz YKQWNAOGLFVFBR-UHFFFAOYSA-N -2 3 357.305 0.475 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001582110943 1281063830 /nfs/dbraw/zinc/06/38/30/1281063830.db2.gz YKQWNAOGLFVFBR-UHFFFAOYSA-N -2 3 357.305 0.475 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001603751342 1287487890 /nfs/dbraw/zinc/48/78/90/1287487890.db2.gz FBFZAZFXBSGMQS-CQSZACIVSA-N -2 3 351.388 0.742 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001603751342 1287487891 /nfs/dbraw/zinc/48/78/91/1287487891.db2.gz FBFZAZFXBSGMQS-CQSZACIVSA-N -2 3 351.388 0.742 20 0 FCADHL CC(C)C[C@@H](NC(=O)CSc1nc2c(cnn2C)c(=O)[n-]1)C(=O)[O-] ZINC001603783096 1287494910 /nfs/dbraw/zinc/49/49/10/1287494910.db2.gz ONSNLJLPQZFLJT-SECBINFHSA-N -2 3 353.404 0.777 20 0 FCADHL O=C(NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582424289 1281492746 /nfs/dbraw/zinc/49/27/46/1281492746.db2.gz WHIMSIOWIHJKCL-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ncccc1[O-] ZINC001582424289 1281492754 /nfs/dbraw/zinc/49/27/54/1281492754.db2.gz WHIMSIOWIHJKCL-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582426244 1281493834 /nfs/dbraw/zinc/49/38/34/1281493834.db2.gz YCAVJNCKVGJIBK-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582426244 1281493836 /nfs/dbraw/zinc/49/38/36/1281493836.db2.gz YCAVJNCKVGJIBK-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844281 1287515964 /nfs/dbraw/zinc/51/59/64/1287515964.db2.gz CSLBOSZNQWFRIZ-MFKMUULPSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001603844196 1287516109 /nfs/dbraw/zinc/51/61/09/1287516109.db2.gz BOPYVGWJCJQWIE-KOLCDFICSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001603844196 1287516115 /nfs/dbraw/zinc/51/61/15/1287516115.db2.gz BOPYVGWJCJQWIE-KOLCDFICSA-N -2 3 351.388 0.598 20 0 FCADHL O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582568712 1281754186 /nfs/dbraw/zinc/75/41/86/1281754186.db2.gz GKCZQKHWVAWBFE-SNVBAGLBSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ncccc1[O-] ZINC001582568712 1281754191 /nfs/dbraw/zinc/75/41/91/1281754191.db2.gz GKCZQKHWVAWBFE-SNVBAGLBSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582588096 1281777853 /nfs/dbraw/zinc/77/78/53/1281777853.db2.gz JMLMUHJYIPNXOS-LBPRGKRZSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582601985 1281792530 /nfs/dbraw/zinc/79/25/30/1281792530.db2.gz LVPSNVLSUQHUJR-DTORHVGOSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ncccc1[O-] ZINC001582601985 1281792531 /nfs/dbraw/zinc/79/25/31/1281792531.db2.gz LVPSNVLSUQHUJR-DTORHVGOSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)c1ncccc1[O-] ZINC001582613568 1281808145 /nfs/dbraw/zinc/80/81/45/1281808145.db2.gz WWLATNSUISHVEI-XYPYZODXSA-N -2 3 352.358 0.735 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)c1ncccc1[O-] ZINC001582613568 1281808159 /nfs/dbraw/zinc/80/81/59/1281808159.db2.gz WWLATNSUISHVEI-XYPYZODXSA-N -2 3 352.358 0.735 20 0 FCADHL O=C(c1ccccc1[O-])N1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001582712883 1281919749 /nfs/dbraw/zinc/91/97/49/1281919749.db2.gz WXNQTPOBCWOTIQ-UHFFFAOYSA-N -2 3 366.385 0.501 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001582751759 1281976026 /nfs/dbraw/zinc/97/60/26/1281976026.db2.gz VIPVEBZQIYGNML-NSHDSACASA-N -2 3 366.385 0.937 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001582751759 1281976033 /nfs/dbraw/zinc/97/60/33/1281976033.db2.gz VIPVEBZQIYGNML-NSHDSACASA-N -2 3 366.385 0.937 20 0 FCADHL O=C1c2ccccc2CCN1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001582790990 1282009177 /nfs/dbraw/zinc/00/91/77/1282009177.db2.gz SXXIPDILRUPUMO-UHFFFAOYSA-N -2 3 370.394 0.759 20 0 FCADHL O=S(=O)(NCc1cncc(-c2nnn[n-]2)c1)c1cc([O-])cc(F)c1 ZINC001582797722 1282020783 /nfs/dbraw/zinc/02/07/83/1282020783.db2.gz QODZZJJHEKJZCY-UHFFFAOYSA-N -2 3 350.335 0.585 20 0 FCADHL O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCOC[C@@H]1c1nnn[n-]1 ZINC001635091334 1282379223 /nfs/dbraw/zinc/37/92/23/1282379223.db2.gz XAONUTJVBNCQAO-LLVKDONJSA-N -2 3 359.321 0.444 20 0 FCADHL O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCOC[C@@H]1c1nn[n-]n1 ZINC001635091334 1282379229 /nfs/dbraw/zinc/37/92/29/1282379229.db2.gz XAONUTJVBNCQAO-LLVKDONJSA-N -2 3 359.321 0.444 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001604081786 1287568584 /nfs/dbraw/zinc/56/85/84/1287568584.db2.gz OZTHDZPNHWQKGQ-CQSZACIVSA-N -2 3 369.378 0.881 20 0 FCADHL C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588937364 1282735552 /nfs/dbraw/zinc/73/55/52/1282735552.db2.gz ZAPDAEKSYBGRFF-SSDOTTSWSA-N -2 3 358.811 0.739 20 0 FCADHL C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001589025051 1282773700 /nfs/dbraw/zinc/77/37/00/1282773700.db2.gz JINYCIHKDBJLBT-SSDOTTSWSA-N -2 3 355.351 0.537 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001589025070 1282774055 /nfs/dbraw/zinc/77/40/55/1282774055.db2.gz JXPSPYPUGGVOJZ-VIFPVBQESA-N -2 3 351.388 0.349 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001589025070 1282774060 /nfs/dbraw/zinc/77/40/60/1282774060.db2.gz JXPSPYPUGGVOJZ-VIFPVBQESA-N -2 3 351.388 0.349 20 0 FCADHL CCN([C@H](C)C(=O)[O-])S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001604268385 1287597399 /nfs/dbraw/zinc/59/73/99/1287597399.db2.gz PMEFSKSTECAQLB-MRVPVSSYSA-N -2 3 357.367 0.631 20 0 FCADHL CCN([C@H](C)C(=O)[O-])S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001604268385 1287597406 /nfs/dbraw/zinc/59/74/06/1287597406.db2.gz PMEFSKSTECAQLB-MRVPVSSYSA-N -2 3 357.367 0.631 20 0 FCADHL CC(C)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589456974 1282885177 /nfs/dbraw/zinc/88/51/77/1282885177.db2.gz MWTSSQXKOZOEQL-LBPRGKRZSA-N -2 3 371.394 0.782 20 0 FCADHL CC(C)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589456974 1282885184 /nfs/dbraw/zinc/88/51/84/1282885184.db2.gz MWTSSQXKOZOEQL-LBPRGKRZSA-N -2 3 371.394 0.782 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)cc1=O ZINC001589665091 1282937819 /nfs/dbraw/zinc/93/78/19/1282937819.db2.gz LPOBCYOVPQCDDH-UHFFFAOYSA-N -3 3 357.374 0.665 20 0 FCADHL CC(C)NC(=O)N1CCC[C@H]1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589721640 1282964656 /nfs/dbraw/zinc/96/46/56/1282964656.db2.gz NCDYKBAHTUCETF-ZDUSSCGKSA-N -2 3 359.390 0.859 20 0 FCADHL CC(C)NC(=O)N1CCC[C@H]1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589721640 1282964666 /nfs/dbraw/zinc/96/46/66/1282964666.db2.gz NCDYKBAHTUCETF-ZDUSSCGKSA-N -2 3 359.390 0.859 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001589792623 1283011553 /nfs/dbraw/zinc/01/15/53/1283011553.db2.gz HCPJXHUAXDANHH-JOYOIKCWSA-N -2 3 366.403 0.272 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001589792623 1283011564 /nfs/dbraw/zinc/01/15/64/1283011564.db2.gz HCPJXHUAXDANHH-JOYOIKCWSA-N -2 3 366.403 0.272 20 0 FCADHL C[C@H](CCCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1[O-] ZINC001589817695 1283052747 /nfs/dbraw/zinc/05/27/47/1283052747.db2.gz HSUZMWIUEPYQSS-SNVBAGLBSA-N -2 3 369.389 0.768 20 0 FCADHL C[C@H](CCCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001589817695 1283052756 /nfs/dbraw/zinc/05/27/56/1283052756.db2.gz HSUZMWIUEPYQSS-SNVBAGLBSA-N -2 3 369.389 0.768 20 0 FCADHL C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccc(-c2nnn[n-]2)c1 ZINC001589915295 1283126212 /nfs/dbraw/zinc/12/62/12/1283126212.db2.gz YNFYQTMVFWNEFH-QGHHPUGFSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccc(-c2nn[n-]n2)c1 ZINC001589915295 1283126217 /nfs/dbraw/zinc/12/62/17/1283126217.db2.gz YNFYQTMVFWNEFH-QGHHPUGFSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001590027708 1283182561 /nfs/dbraw/zinc/18/25/61/1283182561.db2.gz LHOFVYCQOSBJBG-ZANVPECISA-N -2 3 371.357 0.310 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001590027708 1283182564 /nfs/dbraw/zinc/18/25/64/1283182564.db2.gz LHOFVYCQOSBJBG-ZANVPECISA-N -2 3 371.357 0.310 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCCN1CCCC1=O ZINC001590032258 1283184322 /nfs/dbraw/zinc/18/43/22/1283184322.db2.gz VONRBWDQAFRPGT-LLVKDONJSA-N -2 3 360.374 0.304 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCCN1CCCC1=O ZINC001590032258 1283184324 /nfs/dbraw/zinc/18/43/24/1283184324.db2.gz VONRBWDQAFRPGT-LLVKDONJSA-N -2 3 360.374 0.304 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCCO1 ZINC001590068599 1283198611 /nfs/dbraw/zinc/19/86/11/1283198611.db2.gz MCBKGDYVYSENJQ-OAHLLOKOSA-N -2 3 365.415 0.772 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCCO1 ZINC001590068599 1283198615 /nfs/dbraw/zinc/19/86/15/1283198615.db2.gz MCBKGDYVYSENJQ-OAHLLOKOSA-N -2 3 365.415 0.772 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CCCO1 ZINC001590069002 1283199806 /nfs/dbraw/zinc/19/98/06/1283199806.db2.gz QJHZEYGYUHDXFV-AWEZNQCLSA-N -2 3 369.378 0.521 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCCO1 ZINC001590069002 1283199811 /nfs/dbraw/zinc/19/98/11/1283199811.db2.gz QJHZEYGYUHDXFV-AWEZNQCLSA-N -2 3 369.378 0.521 20 0 FCADHL C[C@@]12CCC(=O)N1[C@H](C(=O)[N-]Oc1cccc(-c3nnn[n-]3)c1)CS2 ZINC001590155787 1283250673 /nfs/dbraw/zinc/25/06/73/1283250673.db2.gz LFMUPSMFXUUCKO-XHDPSFHLSA-N -2 3 360.399 0.731 20 0 FCADHL C[C@@]12CCC(=O)N1[C@H](C(=O)[N-]Oc1cccc(-c3nn[n-]n3)c1)CS2 ZINC001590155787 1283250681 /nfs/dbraw/zinc/25/06/81/1283250681.db2.gz LFMUPSMFXUUCKO-XHDPSFHLSA-N -2 3 360.399 0.731 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC001590185216 1283291822 /nfs/dbraw/zinc/29/18/22/1283291822.db2.gz NARDQKGPUFQWNA-HTQZYQBOSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC001590185216 1283291831 /nfs/dbraw/zinc/29/18/31/1283291831.db2.gz NARDQKGPUFQWNA-HTQZYQBOSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C)O1 ZINC001590184015 1283292187 /nfs/dbraw/zinc/29/21/87/1283292187.db2.gz ZJPILVJMQBBZIL-VDDIYKPWSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C)O1 ZINC001590184015 1283292194 /nfs/dbraw/zinc/29/21/94/1283292194.db2.gz ZJPILVJMQBBZIL-VDDIYKPWSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC001590185219 1283293456 /nfs/dbraw/zinc/29/34/56/1283293456.db2.gz NARDQKGPUFQWNA-YUMQZZPRSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC001590185219 1283293463 /nfs/dbraw/zinc/29/34/63/1283293463.db2.gz NARDQKGPUFQWNA-YUMQZZPRSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001590186647 1283293478 /nfs/dbraw/zinc/29/34/78/1283293478.db2.gz XMSCDHUBYRXCNN-GXSJLCMTSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590186647 1283293487 /nfs/dbraw/zinc/29/34/87/1283293487.db2.gz XMSCDHUBYRXCNN-GXSJLCMTSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC001590186063 1283293532 /nfs/dbraw/zinc/29/35/32/1283293532.db2.gz REGUEBYBTAWRQI-ZWNOBZJWSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590186063 1283293539 /nfs/dbraw/zinc/29/35/39/1283293539.db2.gz REGUEBYBTAWRQI-ZWNOBZJWSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590225092 1283355103 /nfs/dbraw/zinc/35/51/03/1283355103.db2.gz BXWBCEDZKQDBTK-RKDXNWHRSA-N -2 3 352.376 0.136 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590225092 1283355116 /nfs/dbraw/zinc/35/51/16/1283355116.db2.gz BXWBCEDZKQDBTK-RKDXNWHRSA-N -2 3 352.376 0.136 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590226077 1283357352 /nfs/dbraw/zinc/35/73/52/1283357352.db2.gz JZXAFWWVUSIICR-ONGXEEELSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590226077 1283357362 /nfs/dbraw/zinc/35/73/62/1283357362.db2.gz JZXAFWWVUSIICR-ONGXEEELSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590247022 1283375832 /nfs/dbraw/zinc/37/58/32/1283375832.db2.gz IBVPENVFAJJMIJ-VHSXEESVSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590247022 1283375843 /nfs/dbraw/zinc/37/58/43/1283375843.db2.gz IBVPENVFAJJMIJ-VHSXEESVSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001590262228 1283385346 /nfs/dbraw/zinc/38/53/46/1283385346.db2.gz BIUKZIPSLBIXHS-APPZFPTMSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001590262228 1283385352 /nfs/dbraw/zinc/38/53/52/1283385352.db2.gz BIUKZIPSLBIXHS-APPZFPTMSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1CC(=O)[O-] ZINC001590275956 1283403557 /nfs/dbraw/zinc/40/35/57/1283403557.db2.gz HQIGFHONLCFWQA-ZYHUDNBSSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1CC(=O)[O-] ZINC001590275956 1283403563 /nfs/dbraw/zinc/40/35/63/1283403563.db2.gz HQIGFHONLCFWQA-ZYHUDNBSSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001590276747 1283404944 /nfs/dbraw/zinc/40/49/44/1283404944.db2.gz QZCXRQIOWXZKIS-RDDDGLTNSA-N -2 3 355.351 0.490 20 0 FCADHL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001590370601 1283506975 /nfs/dbraw/zinc/50/69/75/1283506975.db2.gz HEQSWRXBKFMKQT-LLVKDONJSA-N -2 3 357.367 0.631 20 0 FCADHL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001590370601 1283506984 /nfs/dbraw/zinc/50/69/84/1283506984.db2.gz HEQSWRXBKFMKQT-LLVKDONJSA-N -2 3 357.367 0.631 20 0 FCADHL CC[C@H](C)CO[N-]C(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590409787 1283525617 /nfs/dbraw/zinc/52/56/17/1283525617.db2.gz JWDYJHRFJAPPGR-NSHDSACASA-N -2 3 367.431 0.875 20 0 FCADHL CC[C@H](C)CO[N-]C(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590409787 1283525623 /nfs/dbraw/zinc/52/56/23/1283525623.db2.gz JWDYJHRFJAPPGR-NSHDSACASA-N -2 3 367.431 0.875 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590436300 1283533960 /nfs/dbraw/zinc/53/39/60/1283533960.db2.gz MFGGDPZPSAIYTR-VIFPVBQESA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001590436300 1283533967 /nfs/dbraw/zinc/53/39/67/1283533967.db2.gz MFGGDPZPSAIYTR-VIFPVBQESA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@H](CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)C(=O)[O-] ZINC001590441634 1283539081 /nfs/dbraw/zinc/53/90/81/1283539081.db2.gz GZUBCYORQLPSTR-GFCCVEGCSA-N -2 3 373.417 0.809 20 0 FCADHL CC[C@H](CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)C(=O)[O-] ZINC001590441634 1283539088 /nfs/dbraw/zinc/53/90/88/1283539088.db2.gz GZUBCYORQLPSTR-GFCCVEGCSA-N -2 3 373.417 0.809 20 0 FCADHL CC[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001590445901 1283542021 /nfs/dbraw/zinc/54/20/21/1283542021.db2.gz BVVQYNAQVQHJLU-ZCFIWIBFSA-N -3 3 361.330 0.534 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590499753 1283566661 /nfs/dbraw/zinc/56/66/61/1283566661.db2.gz MJOWMEYAFJKAIG-VXGBXAGGSA-N -2 3 369.378 0.880 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590499753 1283566666 /nfs/dbraw/zinc/56/66/66/1283566666.db2.gz MJOWMEYAFJKAIG-VXGBXAGGSA-N -2 3 369.378 0.880 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC001604548597 1287655718 /nfs/dbraw/zinc/65/57/18/1287655718.db2.gz BRCILZGZXHUUEA-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC001604548597 1287655719 /nfs/dbraw/zinc/65/57/19/1287655719.db2.gz BRCILZGZXHUUEA-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL CCCCS(=O)(=O)N(CC(=O)[O-])Cc1cccc(-c2nn[n-]n2)c1 ZINC001590611795 1283650025 /nfs/dbraw/zinc/65/00/25/1283650025.db2.gz ORCJRDRGSRFSRM-UHFFFAOYSA-N -2 3 353.404 0.883 20 0 FCADHL CCCOCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001590645633 1283695669 /nfs/dbraw/zinc/69/56/69/1283695669.db2.gz HXNNMSRATHQPKA-UHFFFAOYSA-N -2 3 357.367 0.378 20 0 FCADHL CCCOCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001590645633 1283695682 /nfs/dbraw/zinc/69/56/82/1283695682.db2.gz HXNNMSRATHQPKA-UHFFFAOYSA-N -2 3 357.367 0.378 20 0 FCADHL CCCS(=O)(=O)[N-]C(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001590649349 1283702132 /nfs/dbraw/zinc/70/21/32/1283702132.db2.gz RKIJRCQDKCBULM-UHFFFAOYSA-N -2 3 364.309 0.750 20 0 FCADHL CCC[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001590654343 1283705668 /nfs/dbraw/zinc/70/56/68/1283705668.db2.gz XLRNGXDAPZOOFW-NSHDSACASA-N -2 3 357.367 0.679 20 0 FCADHL CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001590782074 1283841431 /nfs/dbraw/zinc/84/14/31/1283841431.db2.gz JUOSUPSCGDDZLV-MRVPVSSYSA-N -2 3 357.367 0.377 20 0 FCADHL CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001590782074 1283841438 /nfs/dbraw/zinc/84/14/38/1283841438.db2.gz JUOSUPSCGDDZLV-MRVPVSSYSA-N -2 3 357.367 0.377 20 0 FCADHL CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C(=O)[O-] ZINC001590867287 1283939378 /nfs/dbraw/zinc/93/93/78/1283939378.db2.gz DVBNNXFRDWIUFF-UFBFGSQYSA-N -2 3 360.374 0.729 20 0 FCADHL CN(C)C(=O)c1ccnc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001591005384 1284067530 /nfs/dbraw/zinc/06/75/30/1284067530.db2.gz SRABCCSVDNTMOW-UHFFFAOYSA-N -2 3 353.342 0.921 20 0 FCADHL CNC(=O)c1cccc([N-]S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)c1 ZINC001591215200 1284347111 /nfs/dbraw/zinc/34/71/11/1284347111.db2.gz QKBMPABFWZPWAI-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL CNC(=O)c1cccc([N-]S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)c1 ZINC001591215200 1284347116 /nfs/dbraw/zinc/34/71/16/1284347116.db2.gz QKBMPABFWZPWAI-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL COC(=O)C(F)(F)C[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591235121 1284378993 /nfs/dbraw/zinc/37/89/93/1284378993.db2.gz OHVQUFWKSUHTJF-UHFFFAOYSA-N -2 3 361.330 0.094 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001591296562 1284449704 /nfs/dbraw/zinc/44/97/04/1284449704.db2.gz NINPOPKGKTZKNJ-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001591297064 1284450078 /nfs/dbraw/zinc/45/00/78/1284450078.db2.gz ZAMBYPUDVOFCIU-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001591297064 1284450081 /nfs/dbraw/zinc/45/00/81/1284450081.db2.gz ZAMBYPUDVOFCIU-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1oc(S(=O)(=O)[N-]c2c(-c3nnn[n-]3)cnn2C)cc1C ZINC001591308762 1284460925 /nfs/dbraw/zinc/46/09/25/1284460925.db2.gz XYYKYUJTELTWGB-UHFFFAOYSA-N -2 3 367.347 0.089 20 0 FCADHL CO[C@](C)(C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001591315173 1284464313 /nfs/dbraw/zinc/46/43/13/1284464313.db2.gz PSHXPXWBXAOTTP-AWEZNQCLSA-N -2 3 351.388 0.487 20 0 FCADHL CO[C@](C)(C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001591315173 1284464316 /nfs/dbraw/zinc/46/43/16/1284464316.db2.gz PSHXPXWBXAOTTP-AWEZNQCLSA-N -2 3 351.388 0.487 20 0 FCADHL CO[C@](C)(C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001591314659 1284464650 /nfs/dbraw/zinc/46/46/50/1284464650.db2.gz LJIFBKFVRVYFMX-HNNXBMFYSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@](C)(C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001591314659 1284464655 /nfs/dbraw/zinc/46/46/55/1284464655.db2.gz LJIFBKFVRVYFMX-HNNXBMFYSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(C)n1)[C@@H]1CCOC1 ZINC001591332983 1284475571 /nfs/dbraw/zinc/47/55/71/1284475571.db2.gz GTCIUYKCMGUQFK-PWSUYJOCSA-N -2 3 368.419 0.363 20 0 FCADHL COC1CCC(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001591348833 1284486955 /nfs/dbraw/zinc/48/69/55/1284486955.db2.gz XYPGVFNROBKPDO-UHFFFAOYSA-N -2 3 366.403 0.272 20 0 FCADHL COC1CCC(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001591348833 1284486957 /nfs/dbraw/zinc/48/69/57/1284486957.db2.gz XYPGVFNROBKPDO-UHFFFAOYSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001591352909 1284488823 /nfs/dbraw/zinc/48/88/23/1284488823.db2.gz CUSIGIHKDLGPFQ-KOLCDFICSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001591352909 1284488830 /nfs/dbraw/zinc/48/88/30/1284488830.db2.gz CUSIGIHKDLGPFQ-KOLCDFICSA-N -2 3 366.403 0.272 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nnc2ccccn21 ZINC001591506804 1284693241 /nfs/dbraw/zinc/69/32/41/1284693241.db2.gz UCBBKULBTJNVNK-UHFFFAOYSA-N -2 3 372.370 0.719 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nnc2ccccn21 ZINC001591506804 1284693252 /nfs/dbraw/zinc/69/32/52/1284693252.db2.gz UCBBKULBTJNVNK-UHFFFAOYSA-N -2 3 372.370 0.719 20 0 FCADHL COc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001591510565 1284699428 /nfs/dbraw/zinc/69/94/28/1284699428.db2.gz ZXYHKRGDCACQSV-QLJPJBMISA-N -2 3 359.342 0.049 20 0 FCADHL COc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001591510565 1284699439 /nfs/dbraw/zinc/69/94/39/1284699439.db2.gz ZXYHKRGDCACQSV-QLJPJBMISA-N -2 3 359.342 0.049 20 0 FCADHL COc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591635184 1284772148 /nfs/dbraw/zinc/77/21/48/1284772148.db2.gz SZYMEBKXGGHIKA-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL COc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591635184 1284772161 /nfs/dbraw/zinc/77/21/61/1284772161.db2.gz SZYMEBKXGGHIKA-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL COc1ccc2ncc(-c3nnn[n-]3)c(NCCCc3n[nH]c(=O)[n-]3)c2c1 ZINC001591631690 1284772825 /nfs/dbraw/zinc/77/28/25/1284772825.db2.gz YENWFJYQKVNLIG-UHFFFAOYSA-N -2 3 367.373 0.714 20 0 FCADHL COc1ccc2ncc(-c3nn[n-]n3)c(NCCCc3n[nH]c(=O)[n-]3)c2c1 ZINC001591631690 1284772832 /nfs/dbraw/zinc/77/28/32/1284772832.db2.gz YENWFJYQKVNLIG-UHFFFAOYSA-N -2 3 367.373 0.714 20 0 FCADHL CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001591680106 1284821464 /nfs/dbraw/zinc/82/14/64/1284821464.db2.gz SYFNABQHQVYFIE-UHFFFAOYSA-N -2 3 373.398 0.563 20 0 FCADHL CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001591680106 1284821471 /nfs/dbraw/zinc/82/14/71/1284821471.db2.gz SYFNABQHQVYFIE-UHFFFAOYSA-N -2 3 373.398 0.563 20 0 FCADHL CS[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001591686735 1284829032 /nfs/dbraw/zinc/82/90/32/1284829032.db2.gz IVELCXFCUHBJGI-ZETCQYMHSA-N -2 3 359.408 0.703 20 0 FCADHL CS[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001591686735 1284829046 /nfs/dbraw/zinc/82/90/46/1284829046.db2.gz IVELCXFCUHBJGI-ZETCQYMHSA-N -2 3 359.408 0.703 20 0 FCADHL CSc1nnc(C[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)s1 ZINC001591721235 1284852017 /nfs/dbraw/zinc/85/20/17/1284852017.db2.gz PPMWVPOSOGEGEM-UHFFFAOYSA-N -2 3 359.418 0.512 20 0 FCADHL CSc1nnc(C[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001591721235 1284852026 /nfs/dbraw/zinc/85/20/26/1284852026.db2.gz PPMWVPOSOGEGEM-UHFFFAOYSA-N -2 3 359.418 0.512 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001591872682 1284960638 /nfs/dbraw/zinc/96/06/38/1284960638.db2.gz KJSDNSJQXMZBLP-LLVKDONJSA-N -2 3 367.387 0.039 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001591872682 1284960643 /nfs/dbraw/zinc/96/06/43/1284960643.db2.gz KJSDNSJQXMZBLP-LLVKDONJSA-N -2 3 367.387 0.039 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001591989262 1285043117 /nfs/dbraw/zinc/04/31/17/1285043117.db2.gz PKCPAEZZZJAJSL-XLKFXECMSA-N -2 3 367.362 0.409 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)ccc1-c1nnn[n-]1 ZINC001592065437 1285104312 /nfs/dbraw/zinc/10/43/12/1285104312.db2.gz JNKWGJKXWFRKKJ-GFCCVEGCSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)ccc1-c1nn[n-]n1 ZINC001592065437 1285104318 /nfs/dbraw/zinc/10/43/18/1285104318.db2.gz JNKWGJKXWFRKKJ-GFCCVEGCSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C[C@@H]1CCOC1 ZINC001592109203 1285142823 /nfs/dbraw/zinc/14/28/23/1285142823.db2.gz FUHDEZMYVTUANM-USEMIUTHSA-N -2 3 363.399 0.573 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C[C@@H]1CCOC1 ZINC001592109203 1285142831 /nfs/dbraw/zinc/14/28/31/1285142831.db2.gz FUHDEZMYVTUANM-USEMIUTHSA-N -2 3 363.399 0.573 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C[C@@H]1CCCO1 ZINC001592109363 1285143680 /nfs/dbraw/zinc/14/36/80/1285143680.db2.gz HSHXSQWOBDQUNP-SYTKJHMZSA-N -2 3 363.399 0.715 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C[C@@H]1CCCO1 ZINC001592109363 1285143685 /nfs/dbraw/zinc/14/36/85/1285143685.db2.gz HSHXSQWOBDQUNP-SYTKJHMZSA-N -2 3 363.399 0.715 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC001592109968 1285145548 /nfs/dbraw/zinc/14/55/48/1285145548.db2.gz CPGAZOAINREYBP-VXGBXAGGSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC001592109968 1285145553 /nfs/dbraw/zinc/14/55/53/1285145553.db2.gz CPGAZOAINREYBP-VXGBXAGGSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001592239179 1285195373 /nfs/dbraw/zinc/19/53/73/1285195373.db2.gz IBBLTPGWOCTWDS-AWEZNQCLSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001592239179 1285195378 /nfs/dbraw/zinc/19/53/78/1285195378.db2.gz IBBLTPGWOCTWDS-AWEZNQCLSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001592377381 1285289580 /nfs/dbraw/zinc/28/95/80/1285289580.db2.gz NTKGHXSDEYLHLT-KCJUWKMLSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592377381 1285289586 /nfs/dbraw/zinc/28/95/86/1285289586.db2.gz NTKGHXSDEYLHLT-KCJUWKMLSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592414031 1285335944 /nfs/dbraw/zinc/33/59/44/1285335944.db2.gz YEYBNFZZONUPJJ-NSHDSACASA-N -2 3 352.376 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592414031 1285335955 /nfs/dbraw/zinc/33/59/55/1285335955.db2.gz YEYBNFZZONUPJJ-NSHDSACASA-N -2 3 352.376 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)n1C ZINC001592414879 1285339757 /nfs/dbraw/zinc/33/97/57/1285339757.db2.gz OOTQQEGEZDTGLA-UHFFFAOYSA-N -2 3 362.419 0.775 20 0 FCADHL Cc1noc2ncc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)cc12 ZINC001592463119 1285401158 /nfs/dbraw/zinc/40/11/58/1285401158.db2.gz FBXDLVSWMBYYDB-UHFFFAOYSA-N -2 3 358.343 0.907 20 0 FCADHL Cc1noc2ncc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)cc12 ZINC001592463119 1285401165 /nfs/dbraw/zinc/40/11/65/1285401165.db2.gz FBXDLVSWMBYYDB-UHFFFAOYSA-N -2 3 358.343 0.907 20 0 FCADHL Cn1[n-]c(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1=O ZINC001592591948 1285527750 /nfs/dbraw/zinc/52/77/50/1285527750.db2.gz APMBXBWSYIXZJW-UHFFFAOYSA-N -2 3 369.389 0.100 20 0 FCADHL Cn1[n-]c(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1=O ZINC001592591948 1285527756 /nfs/dbraw/zinc/52/77/56/1285527756.db2.gz APMBXBWSYIXZJW-UHFFFAOYSA-N -2 3 369.389 0.100 20 0 FCADHL Cn1ncc2cc(S(=O)(=O)[N-]c3cc(-c4nnn[n-]4)ccn3)cnc21 ZINC001592603430 1285538517 /nfs/dbraw/zinc/53/85/17/1285538517.db2.gz TVSRYEAEWSFVNY-UHFFFAOYSA-N -2 3 357.359 0.344 20 0 FCADHL Cn1ncc2cc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccn3)cnc21 ZINC001592603430 1285538529 /nfs/dbraw/zinc/53/85/29/1285538529.db2.gz TVSRYEAEWSFVNY-UHFFFAOYSA-N -2 3 357.359 0.344 20 0 FCADHL NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC001592736616 1285650332 /nfs/dbraw/zinc/65/03/32/1285650332.db2.gz FXJNDFJYWKGXGP-UHFFFAOYSA-N -2 3 360.355 0.472 20 0 FCADHL Nc1c(C(=O)[O-])ncn1C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001592755082 1285678128 /nfs/dbraw/zinc/67/81/28/1285678128.db2.gz WFQNQJSXQGUHGT-UHFFFAOYSA-N -2 3 355.362 0.580 20 0 FCADHL Nc1c(C(=O)[O-])ncn1C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001592755082 1285678130 /nfs/dbraw/zinc/67/81/30/1285678130.db2.gz WFQNQJSXQGUHGT-UHFFFAOYSA-N -2 3 355.362 0.580 20 0 FCADHL CCn1nc(C)c(S(=O)(=O)[N-]c2c(-c3nnn[n-]3)cnn2C)c1C ZINC001609259799 1289025164 /nfs/dbraw/zinc/02/51/64/1289025164.db2.gz QKGFODMBKXBZLB-UHFFFAOYSA-N -2 3 351.396 0.234 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C1CCOCC1 ZINC001592798793 1285721418 /nfs/dbraw/zinc/72/14/18/1285721418.db2.gz USMYLDKMJIDQTM-WAYWQWQTSA-N -2 3 363.399 0.505 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C1CCOCC1 ZINC001592798793 1285721427 /nfs/dbraw/zinc/72/14/27/1285721427.db2.gz USMYLDKMJIDQTM-WAYWQWQTSA-N -2 3 363.399 0.505 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001592823500 1285738657 /nfs/dbraw/zinc/73/86/57/1285738657.db2.gz SAOUJIIQIQWHJZ-LLVKDONJSA-N -2 3 351.388 0.382 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001592823500 1285738662 /nfs/dbraw/zinc/73/86/62/1285738662.db2.gz SAOUJIIQIQWHJZ-LLVKDONJSA-N -2 3 351.388 0.382 20 0 FCADHL O=C(C[C@H]1CCOC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001592826072 1285740321 /nfs/dbraw/zinc/74/03/21/1285740321.db2.gz FCUVONTVFXCDIK-SECBINFHSA-N -2 3 369.378 0.378 20 0 FCADHL O=C(C[C@H]1CCOC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001592826072 1285740322 /nfs/dbraw/zinc/74/03/22/1285740322.db2.gz FCUVONTVFXCDIK-SECBINFHSA-N -2 3 369.378 0.378 20 0 FCADHL O=C(CNC(=O)c1cc(Cl)ccn1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592870531 1285778501 /nfs/dbraw/zinc/77/85/01/1285778501.db2.gz NTDQAAXHQKHEAO-UHFFFAOYSA-N -2 3 373.760 0.755 20 0 FCADHL O=C(CNC(=O)c1cc(Cl)ccn1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592870531 1285778511 /nfs/dbraw/zinc/77/85/11/1285778511.db2.gz NTDQAAXHQKHEAO-UHFFFAOYSA-N -2 3 373.760 0.755 20 0 FCADHL O=C(COCc1ccccn1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592887427 1285793547 /nfs/dbraw/zinc/79/35/47/1285793547.db2.gz JEDGVEGKHPWSFZ-UHFFFAOYSA-N -2 3 374.382 0.283 20 0 FCADHL O=C(COCc1ccccn1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592887427 1285793555 /nfs/dbraw/zinc/79/35/55/1285793555.db2.gz JEDGVEGKHPWSFZ-UHFFFAOYSA-N -2 3 374.382 0.283 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1ncccc1F ZINC001592911213 1285808383 /nfs/dbraw/zinc/80/83/83/1285808383.db2.gz JXTGFFXDFPTWQR-UHFFFAOYSA-N -2 3 362.346 0.448 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ncccc1F ZINC001592911213 1285808386 /nfs/dbraw/zinc/80/83/86/1285808386.db2.gz JXTGFFXDFPTWQR-UHFFFAOYSA-N -2 3 362.346 0.448 20 0 FCADHL O=C([O-])[C@H](CNC(=O)C(=O)Nc1sccc1-c1nnn[n-]1)C1CCC1 ZINC001593005475 1285890399 /nfs/dbraw/zinc/89/03/99/1285890399.db2.gz XCTFICXCULKNSW-SECBINFHSA-N -2 3 364.387 0.484 20 0 FCADHL O=C([O-])[C@H](CNC(=O)C(=O)Nc1sccc1-c1nn[n-]n1)C1CCC1 ZINC001593005475 1285890408 /nfs/dbraw/zinc/89/04/08/1285890408.db2.gz XCTFICXCULKNSW-SECBINFHSA-N -2 3 364.387 0.484 20 0 FCADHL O=C(NCC=CCNc1ccc(-c2nnn[n-]2)nc1)c1ncccc1[O-] ZINC001593049764 1285942537 /nfs/dbraw/zinc/94/25/37/1285942537.db2.gz ANALLDLAGDKOBG-OWOJBTEDSA-N -2 3 352.358 0.760 20 0 FCADHL O=C(NCC=CCNc1ccc(-c2nn[n-]n2)nc1)c1ncccc1[O-] ZINC001593049764 1285942541 /nfs/dbraw/zinc/94/25/41/1285942541.db2.gz ANALLDLAGDKOBG-OWOJBTEDSA-N -2 3 352.358 0.760 20 0 FCADHL O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1csc(-c2nnn[n-]2)c1 ZINC001593172835 1286026559 /nfs/dbraw/zinc/02/65/59/1286026559.db2.gz QHZJXIZPFBVCKH-UHFFFAOYSA-N -2 3 365.400 0.190 20 0 FCADHL O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001593272283 1286055626 /nfs/dbraw/zinc/05/56/26/1286055626.db2.gz AAEWSLJVCFPZMA-CBAPKCEASA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001593272283 1286055630 /nfs/dbraw/zinc/05/56/30/1286055630.db2.gz AAEWSLJVCFPZMA-CBAPKCEASA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC001593276560 1286059083 /nfs/dbraw/zinc/05/90/83/1286059083.db2.gz NEKISBUSYQKOOV-GFCCVEGCSA-N -2 3 372.385 0.196 20 0 FCADHL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC001593276560 1286059085 /nfs/dbraw/zinc/05/90/85/1286059085.db2.gz NEKISBUSYQKOOV-GFCCVEGCSA-N -2 3 372.385 0.196 20 0 FCADHL O=C([O-])C1CCN(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001593275837 1286059137 /nfs/dbraw/zinc/05/91/37/1286059137.db2.gz XXWDOWIVNXMYMG-CQSZACIVSA-N -2 3 356.386 0.840 20 0 FCADHL O=C([O-])C1CCN(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001593275837 1286059139 /nfs/dbraw/zinc/05/91/39/1286059139.db2.gz XXWDOWIVNXMYMG-CQSZACIVSA-N -2 3 356.386 0.840 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001593276309 1286059635 /nfs/dbraw/zinc/05/96/35/1286059635.db2.gz KAJLTPFMYQVBCF-UHFFFAOYSA-N -2 3 351.388 0.541 20 0 FCADHL O=C([O-])[C@H](CC1CC1)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001593275664 1286059782 /nfs/dbraw/zinc/05/97/82/1286059782.db2.gz HBIBAIPLFWNFOO-JTQLQIEISA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])CN(C1CCC1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001593278365 1286060107 /nfs/dbraw/zinc/06/01/07/1286060107.db2.gz APFBOMZDTRXXKI-UHFFFAOYSA-N -2 3 369.378 0.775 20 0 FCADHL O=C([O-])CN(C1CCC1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593278365 1286060114 /nfs/dbraw/zinc/06/01/14/1286060114.db2.gz APFBOMZDTRXXKI-UHFFFAOYSA-N -2 3 369.378 0.775 20 0 FCADHL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001593277199 1286060619 /nfs/dbraw/zinc/06/06/19/1286060619.db2.gz UBDKLAJTTPYXIX-NSHDSACASA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001593277199 1286060623 /nfs/dbraw/zinc/06/06/23/1286060623.db2.gz UBDKLAJTTPYXIX-NSHDSACASA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001593279428 1286063416 /nfs/dbraw/zinc/06/34/16/1286063416.db2.gz KUSMETBARKAURU-JTQLQIEISA-N -2 3 353.285 0.566 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001593279470 1286063475 /nfs/dbraw/zinc/06/34/75/1286063475.db2.gz MNRIEEWYFOJWPS-NXEZZACHSA-N -2 3 362.415 0.688 20 0 FCADHL O=C([O-])c1cccnc1N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001593282764 1286064998 /nfs/dbraw/zinc/06/49/98/1286064998.db2.gz DQVRIFNZRKYIBP-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])c1cccnc1N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001593282764 1286065000 /nfs/dbraw/zinc/06/50/00/1286065000.db2.gz DQVRIFNZRKYIBP-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL CNC(=O)Cn1nc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1C ZINC001609288377 1289055371 /nfs/dbraw/zinc/05/53/71/1289055371.db2.gz MSLCOWRJVKMCTO-UHFFFAOYSA-N -2 3 356.346 0.076 20 0 FCADHL O=c1cc(CSc2nncn2C2CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593538961 1286200023 /nfs/dbraw/zinc/20/00/23/1286200023.db2.gz DWJUILVPQVXXNH-UHFFFAOYSA-N -2 3 356.375 0.834 20 0 FCADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609298261 1289070011 /nfs/dbraw/zinc/07/00/11/1289070011.db2.gz QRZQNASFPZXFTJ-UHFFFAOYSA-N -2 3 367.387 0.188 20 0 FCADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609298261 1289070018 /nfs/dbraw/zinc/07/00/18/1289070018.db2.gz QRZQNASFPZXFTJ-UHFFFAOYSA-N -2 3 367.387 0.188 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NS(=O)(=O)CCCC(=O)[O-])C2)n1 ZINC001600065044 1286435111 /nfs/dbraw/zinc/43/51/11/1286435111.db2.gz OFICIRXHDJQCOG-NSHDSACASA-N -2 3 358.420 0.244 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC2OCCO2)C(=O)[O-])cc1F ZINC001600228351 1286455274 /nfs/dbraw/zinc/45/52/74/1286455274.db2.gz HUWNFSQHJOEZRV-JTQLQIEISA-N -2 3 351.327 0.768 20 0 FCADHL Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)[C@@]2(CO)CCCO2)oc1C(=O)[O-] ZINC001600298259 1286472468 /nfs/dbraw/zinc/47/24/68/1286472468.db2.gz ZCSYEVBZGNZCHL-HIFRSBDPSA-N -2 3 359.400 0.885 20 0 FCADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])N(C)C)cc1 ZINC001600377409 1286481612 /nfs/dbraw/zinc/48/16/12/1286481612.db2.gz UAVUCQFPQXPKLV-ZDUSSCGKSA-N -2 3 352.416 0.998 20 0 FCADHL CO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001609306923 1289079518 /nfs/dbraw/zinc/07/95/18/1289079518.db2.gz HTSHWEHEKQQXJQ-LBPRGKRZSA-N -2 3 353.404 0.484 20 0 FCADHL CO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001609306923 1289079526 /nfs/dbraw/zinc/07/95/26/1289079526.db2.gz HTSHWEHEKQQXJQ-LBPRGKRZSA-N -2 3 353.404 0.484 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2N2CCOCC2)c1C(=O)[O-] ZINC001600672464 1286522156 /nfs/dbraw/zinc/52/21/56/1286522156.db2.gz CHVXXEMWIGIJSK-RYUDHWBXSA-N -2 3 372.447 0.338 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1C(=O)[O-] ZINC001600673513 1286525163 /nfs/dbraw/zinc/52/51/63/1286525163.db2.gz HKWAWABIXHDTNZ-UXFCWIETSA-N -2 3 373.431 0.667 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2cnn(CC3CCC3)c2)c1C(=O)[O-] ZINC001600673779 1286525464 /nfs/dbraw/zinc/52/54/64/1286525464.db2.gz NIZFVNQHUFPSBR-UHFFFAOYSA-N -2 3 353.404 0.891 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3NC2=O)c1C(=O)[O-] ZINC001600673853 1286525474 /nfs/dbraw/zinc/52/54/74/1286525474.db2.gz WEVVFWBXBLVYHB-SNVBAGLBSA-N -2 3 350.356 0.258 20 0 FCADHL Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)[N-]OCCCC(=O)[O-] ZINC001600720634 1286532051 /nfs/dbraw/zinc/53/20/51/1286532051.db2.gz DKYWPWCKRQMXRT-UHFFFAOYSA-N -2 3 350.375 0.724 20 0 FCADHL Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001600782231 1286543492 /nfs/dbraw/zinc/54/34/92/1286543492.db2.gz IALLYWMCQJOPTP-UHFFFAOYSA-N -2 3 356.338 0.398 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCOCC2)cc1C(=O)[O-] ZINC001600855412 1286558126 /nfs/dbraw/zinc/55/81/26/1286558126.db2.gz HSXPCFOBYLNTHA-LLVKDONJSA-N -3 3 361.372 0.834 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1C(=O)[O-] ZINC001600856927 1286558684 /nfs/dbraw/zinc/55/86/84/1286558684.db2.gz BTLRPCKGWBDRIX-MWLCHTKSSA-N -2 3 360.388 0.200 20 0 FCADHL Cn1cnnc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001600994358 1286591840 /nfs/dbraw/zinc/59/18/40/1286591840.db2.gz GHJXSMMMKZIVJF-SECBINFHSA-N -2 3 360.779 0.179 20 0 FCADHL Cn1ncc2c1nc(SCC(=O)N1CCC(C(=O)[O-])CC1)[n-]c2=O ZINC001601030927 1286609225 /nfs/dbraw/zinc/60/92/25/1286609225.db2.gz MOZGGVOMAYMMIH-UHFFFAOYSA-N -2 3 351.388 0.484 20 0 FCADHL Cn1nccc1[C@@H]([N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC001601035237 1286613475 /nfs/dbraw/zinc/61/34/75/1286613475.db2.gz NEEVDIFLIDQNBE-MRVPVSSYSA-N -2 3 364.177 0.880 20 0 FCADHL NC(=O)[C@@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001601136766 1286644655 /nfs/dbraw/zinc/64/46/55/1286644655.db2.gz DXMXASCAWHWIKL-SNVBAGLBSA-N -2 3 370.358 0.739 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCC(=O)NCc1ccccc1 ZINC001601278600 1286710984 /nfs/dbraw/zinc/71/09/84/1286710984.db2.gz FZYGEZWVKJZNSO-UHFFFAOYSA-N -2 3 369.424 0.826 20 0 FCADHL O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1ccc(O)cc1[O-])CCS2(=O)=O ZINC001601443893 1286751642 /nfs/dbraw/zinc/75/16/42/1286751642.db2.gz NPMOCUYKPIYVNI-IAZHFHGHSA-N -2 3 369.395 0.638 20 0 FCADHL CO[N-]C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001609332539 1289103817 /nfs/dbraw/zinc/10/38/17/1289103817.db2.gz XBFJMDLTRRVKLA-UHFFFAOYSA-N -2 3 362.737 0.322 20 0 FCADHL O=C([O-])[C@H]1CCc2sc(NC(=O)NCCCc3c[n-][nH]c3=O)nc2C1 ZINC001601494787 1286766845 /nfs/dbraw/zinc/76/68/45/1286766845.db2.gz JSYYEOLHPPYXJH-DTWKUNHWSA-N -2 3 365.415 0.966 20 0 FCADHL O=C([O-])c1cn(CCNC(=O)c2cc([O-])cc(Br)c2)nn1 ZINC001601516923 1286775630 /nfs/dbraw/zinc/77/56/30/1286775630.db2.gz PYQQUHQNASMYEI-UHFFFAOYSA-N -2 3 355.148 0.874 20 0 FCADHL COCc1csc([N-]S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)n1 ZINC001609331312 1289102859 /nfs/dbraw/zinc/10/28/59/1289102859.db2.gz BCLJQXIBKCBGOL-UHFFFAOYSA-N -2 3 367.416 0.974 20 0 FCADHL COCc1csc([N-]S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)n1 ZINC001609331312 1289102863 /nfs/dbraw/zinc/10/28/63/1289102863.db2.gz BCLJQXIBKCBGOL-UHFFFAOYSA-N -2 3 367.416 0.974 20 0 FCADHL COCc1csc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)n1 ZINC001609331316 1289103254 /nfs/dbraw/zinc/10/32/54/1289103254.db2.gz BGBPUOCJWYGQJS-UHFFFAOYSA-N -2 3 353.389 0.665 20 0 FCADHL COCc1csc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)n1 ZINC001609331316 1289103257 /nfs/dbraw/zinc/10/32/57/1289103257.db2.gz BGBPUOCJWYGQJS-UHFFFAOYSA-N -2 3 353.389 0.665 20 0 FCADHL CO[N-]C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001609332539 1289103820 /nfs/dbraw/zinc/10/38/20/1289103820.db2.gz XBFJMDLTRRVKLA-UHFFFAOYSA-N -2 3 362.737 0.322 20 0 FCADHL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001601868226 1286858279 /nfs/dbraw/zinc/85/82/79/1286858279.db2.gz WAQBIQRBSZWFNC-AWEZNQCLSA-N -2 3 350.338 0.913 20 0 FCADHL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001601868226 1286858285 /nfs/dbraw/zinc/85/82/85/1286858285.db2.gz WAQBIQRBSZWFNC-AWEZNQCLSA-N -2 3 350.338 0.913 20 0 FCADHL O=C([O-])/C=C\c1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001601887352 1286861138 /nfs/dbraw/zinc/86/11/38/1286861138.db2.gz SHWPFVDKLJNPQX-UTCJRWHESA-N -2 3 368.411 0.612 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc2nncn2c1 ZINC001609339453 1289110092 /nfs/dbraw/zinc/11/00/92/1289110092.db2.gz SXUBRDYPMPTRNV-UHFFFAOYSA-N -2 3 372.370 0.719 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc2nncn2c1 ZINC001609339453 1289110096 /nfs/dbraw/zinc/11/00/96/1289110096.db2.gz SXUBRDYPMPTRNV-UHFFFAOYSA-N -2 3 372.370 0.719 20 0 FCADHL O=C([O-])CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC001602063374 1286916805 /nfs/dbraw/zinc/91/68/05/1286916805.db2.gz RKHPAGUBLYZROL-CQSZACIVSA-N -2 3 361.398 0.226 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2CN(c3ccncn3)C2)c1F ZINC001602227623 1286972871 /nfs/dbraw/zinc/97/28/71/1286972871.db2.gz IYPLWINKPGZKIY-UHFFFAOYSA-N -2 3 370.337 0.620 20 0 FCADHL COc1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c(OC)n1 ZINC001609358182 1289117650 /nfs/dbraw/zinc/11/76/50/1289117650.db2.gz FFUMLZYOJNHXCQ-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL COc1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c(OC)n1 ZINC001609358182 1289117651 /nfs/dbraw/zinc/11/76/51/1289117651.db2.gz FFUMLZYOJNHXCQ-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCN(Cc2ccccc2)C1=O ZINC001602506578 1287017368 /nfs/dbraw/zinc/01/73/68/1287017368.db2.gz FIBNYOMSSZLRGW-GFCCVEGCSA-N -2 3 364.383 0.187 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C1CCN(CC(F)(F)F)CC1 ZINC001602506666 1287017738 /nfs/dbraw/zinc/01/77/38/1287017738.db2.gz KAJDXFUOFLXECK-UHFFFAOYSA-N -2 3 356.326 0.413 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001602506948 1287018715 /nfs/dbraw/zinc/01/87/15/1287018715.db2.gz URLCVXBPPCRXJW-JTQLQIEISA-N -2 3 363.754 0.912 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001602506913 1287018804 /nfs/dbraw/zinc/01/88/04/1287018804.db2.gz HEDVHTZSBAZBJH-BXKDBHETSA-N -2 3 352.372 0.702 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O ZINC001602583761 1287031399 /nfs/dbraw/zinc/03/13/99/1287031399.db2.gz XEQAQPFJQPLVMV-SNVBAGLBSA-N -2 3 367.408 0.925 20 0 FCADHL O=C([O-])C1(CS(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)CCC1 ZINC001602631430 1287040676 /nfs/dbraw/zinc/04/06/76/1287040676.db2.gz KEKUKBAMJWBFJQ-CYBMUJFWSA-N -2 3 367.427 0.751 20 0 FCADHL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)o1 ZINC001602975786 1287172050 /nfs/dbraw/zinc/17/20/50/1287172050.db2.gz CDEGKGYZDLFXLZ-UHFFFAOYSA-N -2 3 362.327 0.176 20 0 FCADHL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)o1 ZINC001602975786 1287172053 /nfs/dbraw/zinc/17/20/53/1287172053.db2.gz CDEGKGYZDLFXLZ-UHFFFAOYSA-N -2 3 362.327 0.176 20 0 FCADHL Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)NCc1nc(=O)o[n-]1 ZINC001609380693 1289131810 /nfs/dbraw/zinc/13/18/10/1289131810.db2.gz LPYCTXRGAOICKV-UHFFFAOYSA-N -2 3 357.355 0.996 20 0 FCADHL Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)NCc1nc(=O)o[n-]1 ZINC001609380693 1289131813 /nfs/dbraw/zinc/13/18/13/1289131813.db2.gz LPYCTXRGAOICKV-UHFFFAOYSA-N -2 3 357.355 0.996 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001609389170 1289133867 /nfs/dbraw/zinc/13/38/67/1289133867.db2.gz QYXSWGPOGUHNGH-CABZTGNLSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001609389170 1289133868 /nfs/dbraw/zinc/13/38/68/1289133868.db2.gz QYXSWGPOGUHNGH-CABZTGNLSA-N -2 3 365.415 0.906 20 0 FCADHL COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001604963851 1287822282 /nfs/dbraw/zinc/82/22/82/1287822282.db2.gz ASXWKGFJYUOMPD-UHFFFAOYSA-N -2 3 369.341 0.236 20 0 FCADHL CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001605007922 1287836235 /nfs/dbraw/zinc/83/62/35/1287836235.db2.gz QHBIURPRBLAPPV-GFCCVEGCSA-N -2 3 353.404 0.733 20 0 FCADHL CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001605007922 1287836232 /nfs/dbraw/zinc/83/62/32/1287836232.db2.gz QHBIURPRBLAPPV-GFCCVEGCSA-N -2 3 353.404 0.733 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001605068350 1287865910 /nfs/dbraw/zinc/86/59/10/1287865910.db2.gz WCUMQPBZAYHTPB-VOTSOKGWSA-N -2 3 363.399 0.505 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001605068350 1287865914 /nfs/dbraw/zinc/86/59/14/1287865914.db2.gz WCUMQPBZAYHTPB-VOTSOKGWSA-N -2 3 363.399 0.505 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001605187854 1287903140 /nfs/dbraw/zinc/90/31/40/1287903140.db2.gz BACZQICNEZNMIG-JTQLQIEISA-N -2 3 365.371 0.327 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001605187854 1287903146 /nfs/dbraw/zinc/90/31/46/1287903146.db2.gz BACZQICNEZNMIG-JTQLQIEISA-N -2 3 365.371 0.327 20 0 FCADHL COc1nscc1S(=O)(=O)[N-]Cc1ccnc(-c2nnn[n-]2)c1 ZINC001605351831 1287931635 /nfs/dbraw/zinc/93/16/35/1287931635.db2.gz BKCWTWQCGBLPIA-UHFFFAOYSA-N -2 3 353.389 0.205 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCCO1 ZINC001609416836 1289143449 /nfs/dbraw/zinc/14/34/49/1289143449.db2.gz OYDNHIUXOSHTMF-OAHLLOKOSA-N -2 3 365.415 0.939 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCCO1 ZINC001609416836 1289143450 /nfs/dbraw/zinc/14/34/50/1289143450.db2.gz OYDNHIUXOSHTMF-OAHLLOKOSA-N -2 3 365.415 0.939 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001609421812 1289145248 /nfs/dbraw/zinc/14/52/48/1289145248.db2.gz BVWQXKKKBBVWBX-UHFFFAOYSA-N -2 3 372.410 0.759 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001609421812 1289145252 /nfs/dbraw/zinc/14/52/52/1289145252.db2.gz BVWQXKKKBBVWBX-UHFFFAOYSA-N -2 3 372.410 0.759 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cccc1-c1nnn[n-]1 ZINC001605493874 1287981585 /nfs/dbraw/zinc/98/15/85/1287981585.db2.gz SORJFMNOICPBFZ-INIZCTEOSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cccc1-c1nn[n-]n1 ZINC001605493874 1287981589 /nfs/dbraw/zinc/98/15/89/1287981589.db2.gz SORJFMNOICPBFZ-INIZCTEOSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1[O-] ZINC001605566808 1288007345 /nfs/dbraw/zinc/00/73/45/1288007345.db2.gz GJDKBKWYAPKOJC-SFYZADRCSA-N -2 3 372.393 0.321 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1[O-] ZINC001605566808 1288007349 /nfs/dbraw/zinc/00/73/49/1288007349.db2.gz GJDKBKWYAPKOJC-SFYZADRCSA-N -2 3 372.393 0.321 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N(CC(=O)[O-])C1CCC1 ZINC001605679243 1288049061 /nfs/dbraw/zinc/04/90/61/1288049061.db2.gz TYTKXZCGGXQNSA-UHFFFAOYSA-N -2 3 369.378 0.942 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001605752240 1288072064 /nfs/dbraw/zinc/07/20/64/1288072064.db2.gz UJMKSQNDUUMKFP-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001605752240 1288072071 /nfs/dbraw/zinc/07/20/71/1288072071.db2.gz UJMKSQNDUUMKFP-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001605795802 1288088689 /nfs/dbraw/zinc/08/86/89/1288088689.db2.gz LMSIIAIMEQZIIA-BXKDBHETSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001605795802 1288088693 /nfs/dbraw/zinc/08/86/93/1288088693.db2.gz LMSIIAIMEQZIIA-BXKDBHETSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1ccccc1OCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001605942810 1288106274 /nfs/dbraw/zinc/10/62/74/1288106274.db2.gz MCOMFVJNZYWLAA-UHFFFAOYSA-N -2 3 374.382 0.454 20 0 FCADHL Cc1ccccc1OCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001605942810 1288106279 /nfs/dbraw/zinc/10/62/79/1288106279.db2.gz MCOMFVJNZYWLAA-UHFFFAOYSA-N -2 3 374.382 0.454 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)n2C)sc1C ZINC001606078311 1288156465 /nfs/dbraw/zinc/15/64/65/1288156465.db2.gz CWIAFMYZKFHPAE-UHFFFAOYSA-N -2 3 367.416 0.397 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)n2C)sc1C ZINC001606078311 1288156466 /nfs/dbraw/zinc/15/64/66/1288156466.db2.gz CWIAFMYZKFHPAE-UHFFFAOYSA-N -2 3 367.416 0.397 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1-c1nnn[n-]1 ZINC001606091605 1288160137 /nfs/dbraw/zinc/16/01/37/1288160137.db2.gz MVEVISUMFCSHLA-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1-c1nn[n-]n1 ZINC001606091605 1288160143 /nfs/dbraw/zinc/16/01/43/1288160143.db2.gz MVEVISUMFCSHLA-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3cccc(-c4nnn[n-]4)n3)C2)cn1 ZINC001606238118 1288225916 /nfs/dbraw/zinc/22/59/16/1288225916.db2.gz XDFUZMCJCNCAND-GHMZBOCLSA-N -2 3 354.374 0.690 20 0 FCADHL CNC(=O)c1n[n-]nc1NC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001606292733 1288256408 /nfs/dbraw/zinc/25/64/08/1288256408.db2.gz RQNSJLLYGINPDA-NTSWFWBYSA-N -2 3 364.284 0.281 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])c(C)o1 ZINC001606303732 1288259653 /nfs/dbraw/zinc/25/96/53/1288259653.db2.gz UQQWHRRTMDBMIL-UHFFFAOYSA-N -2 3 372.321 0.975 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)ccc1F ZINC001606303638 1288259711 /nfs/dbraw/zinc/25/97/11/1288259711.db2.gz PORXUJLRXZDNNE-UHFFFAOYSA-N -2 3 356.375 0.956 20 0 FCADHL COC(=O)[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])CC(C)C ZINC001606329687 1288262577 /nfs/dbraw/zinc/26/25/77/1288262577.db2.gz LWGBLIAQVXABBH-MRVPVSSYSA-N -2 3 350.418 0.955 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC001606342530 1288264263 /nfs/dbraw/zinc/26/42/63/1288264263.db2.gz NZYBKYZZCAMBMI-NQBHXWOUSA-N -2 3 351.421 0.517 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCC1 ZINC001606525836 1288363583 /nfs/dbraw/zinc/36/35/83/1288363583.db2.gz ZWWFGZBOJITHMO-UHFFFAOYSA-N -2 3 359.404 0.818 20 0 FCADHL Cn1ncc(-c2nn[n-]n2)c1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC001609482200 1289175483 /nfs/dbraw/zinc/17/54/83/1289175483.db2.gz NHAMUTFGUYUSIS-UHFFFAOYSA-N -2 3 359.371 0.775 20 0 FCADHL O=C(NC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)c1ncccc1[O-] ZINC001606688811 1288444584 /nfs/dbraw/zinc/44/45/84/1288444584.db2.gz VCLWYCISPRKXNM-UHFFFAOYSA-N -2 3 369.360 0.721 20 0 FCADHL O=C(NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)c1ncccc1[O-] ZINC001606688811 1288444592 /nfs/dbraw/zinc/44/45/92/1288444592.db2.gz VCLWYCISPRKXNM-UHFFFAOYSA-N -2 3 369.360 0.721 20 0 FCADHL COCC1(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C)CC1 ZINC001606842752 1288538110 /nfs/dbraw/zinc/53/81/10/1288538110.db2.gz RDWDUUHDDHMKBI-JTQLQIEISA-N -2 3 351.421 0.660 20 0 FCADHL O=C(NCc1n[nH]c(=O)[n-]1)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001606845427 1288538768 /nfs/dbraw/zinc/53/87/68/1288538768.db2.gz YPSVGJXQZCFJET-UHFFFAOYSA-N -2 3 354.374 0.819 20 0 FCADHL O=C(NCc1n[nH]c(=O)[n-]1)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001606845427 1288538773 /nfs/dbraw/zinc/53/87/73/1288538773.db2.gz YPSVGJXQZCFJET-UHFFFAOYSA-N -2 3 354.374 0.819 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001606863387 1288542430 /nfs/dbraw/zinc/54/24/30/1288542430.db2.gz XVSUPAHFDJYMGP-QMMMGPOBSA-N -2 3 350.310 0.029 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001606863387 1288542431 /nfs/dbraw/zinc/54/24/31/1288542431.db2.gz XVSUPAHFDJYMGP-QMMMGPOBSA-N -2 3 350.310 0.029 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001606862731 1288542522 /nfs/dbraw/zinc/54/25/22/1288542522.db2.gz IVTZOXNEVAYVKG-UHFFFAOYSA-N -2 3 350.310 0.171 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001606862731 1288542521 /nfs/dbraw/zinc/54/25/21/1288542521.db2.gz IVTZOXNEVAYVKG-UHFFFAOYSA-N -2 3 350.310 0.171 20 0 FCADHL COCCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001606901133 1288555949 /nfs/dbraw/zinc/55/59/49/1288555949.db2.gz RQEXSVDTIWBDBE-QWRGUYRKSA-N -2 3 363.388 0.385 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC001606958577 1288574328 /nfs/dbraw/zinc/57/43/28/1288574328.db2.gz XZVGLZKPDAOWJR-UHFFFAOYSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001606958566 1288574552 /nfs/dbraw/zinc/57/45/52/1288574552.db2.gz XRGQCTMJVVLXJB-KOLCDFICSA-N -2 3 369.378 0.928 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCC1 ZINC001606959908 1288575287 /nfs/dbraw/zinc/57/52/87/1288575287.db2.gz NFLZTZPOVUKVAV-UHFFFAOYSA-N -2 3 355.351 0.433 20 0 FCADHL O=C([O-])[C@@H](CC1CC1)NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606959700 1288575327 /nfs/dbraw/zinc/57/53/27/1288575327.db2.gz LOICVZZKPCABRV-GFCCVEGCSA-N -2 3 351.388 0.539 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606959239 1288575455 /nfs/dbraw/zinc/57/54/55/1288575455.db2.gz JUPVWAVZCCGXCV-FYBVGQRMSA-N -2 3 369.428 0.802 20 0 FCADHL COc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc(OC)c1[O-] ZINC001607068010 1288640204 /nfs/dbraw/zinc/64/02/04/1288640204.db2.gz NNBWWCYLCOBJOH-UHFFFAOYSA-N -2 3 368.386 0.268 20 0 FCADHL O=c1cc(CNC2(c3ncccn3)CCC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607110503 1288667705 /nfs/dbraw/zinc/66/77/05/1288667705.db2.gz FLZIUIMGYKSJEO-UHFFFAOYSA-N -2 3 364.373 0.574 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1C(=O)[O-] ZINC001607939772 1288749412 /nfs/dbraw/zinc/74/94/12/1288749412.db2.gz GMWVPNUTOJNWFL-NEPJUHHUSA-N -2 3 367.431 0.840 20 0 FCADHL NCC(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001608252123 1288804097 /nfs/dbraw/zinc/80/40/97/1288804097.db2.gz JDUCHBHKDKXZGZ-UHFFFAOYSA-N -2 3 363.136 0.613 20 0 FCADHL O=C([O-])c1ccn(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001608306199 1288816537 /nfs/dbraw/zinc/81/65/37/1288816537.db2.gz HWVRTVXLQCZPEH-UHFFFAOYSA-N -2 3 355.358 0.858 20 0 FCADHL O=C([O-])c1ccn(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001608306199 1288816545 /nfs/dbraw/zinc/81/65/45/1288816545.db2.gz HWVRTVXLQCZPEH-UHFFFAOYSA-N -2 3 355.358 0.858 20 0 FCADHL O=C([O-])c1c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)nc2n1CCC2 ZINC001608476401 1288847559 /nfs/dbraw/zinc/84/75/59/1288847559.db2.gz MOGCOHQAISRBKF-UHFFFAOYSA-N -2 3 359.268 0.986 20 0 FCADHL O=C([O-])c1cn(C2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)nn1 ZINC001608960507 1288881087 /nfs/dbraw/zinc/88/10/87/1288881087.db2.gz JXOQJIXQZSHTOW-UHFFFAOYSA-N -2 3 358.358 0.827 20 0 FCADHL CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609096422 1288917120 /nfs/dbraw/zinc/91/71/20/1288917120.db2.gz AJKQBHNLVRHPOK-SNVBAGLBSA-N -2 3 353.404 0.733 20 0 FCADHL CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609096422 1288917126 /nfs/dbraw/zinc/91/71/26/1288917126.db2.gz AJKQBHNLVRHPOK-SNVBAGLBSA-N -2 3 353.404 0.733 20 0 FCADHL C[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001609112114 1288926389 /nfs/dbraw/zinc/92/63/89/1288926389.db2.gz SKMDOTMJCOIBDT-ZETCQYMHSA-N -2 3 359.795 0.861 20 0 FCADHL C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609117565 1288930935 /nfs/dbraw/zinc/93/09/35/1288930935.db2.gz SNIZVJGKXXTTHP-DYZYQPBXSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609117565 1288930936 /nfs/dbraw/zinc/93/09/36/1288930936.db2.gz SNIZVJGKXXTTHP-DYZYQPBXSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H](C)C(=O)[O-] ZINC001609125528 1288932471 /nfs/dbraw/zinc/93/24/71/1288932471.db2.gz DLFOKEUXMRZZMZ-PHDIDXHHSA-N -3 3 361.330 0.532 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ncn(C)n1 ZINC001609126005 1288933379 /nfs/dbraw/zinc/93/33/79/1288933379.db2.gz ZQGZVASZDJFFOR-ZCFIWIBFSA-N -2 3 370.345 0.313 20 0 FCADHL C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H](C)C(=O)[O-] ZINC001609125930 1288933951 /nfs/dbraw/zinc/93/39/51/1288933951.db2.gz XHURPMVOZMMOPG-BQBZGAKWSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H](C)C(=O)[O-] ZINC001609125930 1288933955 /nfs/dbraw/zinc/93/39/55/1288933955.db2.gz XHURPMVOZMMOPG-BQBZGAKWSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609142532 1288945364 /nfs/dbraw/zinc/94/53/64/1288945364.db2.gz CFPOEQWFHOQISJ-RISCZKNCSA-N -2 3 366.403 0.574 20 0 FCADHL C[C@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609142532 1288945369 /nfs/dbraw/zinc/94/53/69/1288945369.db2.gz CFPOEQWFHOQISJ-RISCZKNCSA-N -2 3 366.403 0.574 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609142585 1288945879 /nfs/dbraw/zinc/94/58/79/1288945879.db2.gz DVTVCGWRNSNCMR-SWLSCSKDSA-N -2 3 365.415 0.930 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609142585 1288945883 /nfs/dbraw/zinc/94/58/83/1288945883.db2.gz DVTVCGWRNSNCMR-SWLSCSKDSA-N -2 3 365.415 0.930 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@@H](C(=O)[O-])C1 ZINC001609168558 1288961566 /nfs/dbraw/zinc/96/15/66/1288961566.db2.gz GCCSFWFFKTXFKP-GZMMTYOYSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C(=O)[O-])C1 ZINC001609168961 1288962415 /nfs/dbraw/zinc/96/24/15/1288962415.db2.gz SHPFNNGYPMVYRU-SKDRFNHKSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)[O-])C1 ZINC001609168961 1288962419 /nfs/dbraw/zinc/96/24/19/1288962419.db2.gz SHPFNNGYPMVYRU-SKDRFNHKSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C(=O)[O-] ZINC001609169433 1288962772 /nfs/dbraw/zinc/96/27/72/1288962772.db2.gz ZANWFKMMQVEGAW-GWCFXTLKSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C(=O)[O-] ZINC001609169436 1288962909 /nfs/dbraw/zinc/96/29/09/1288962909.db2.gz ZANWFKMMQVEGAW-MFKMUULPSA-N -2 3 365.415 0.739 20 0 FCADHL O=C(c1n[nH]c(=O)[n-]1)N1CCC(Oc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001609585430 1289242056 /nfs/dbraw/zinc/24/20/56/1289242056.db2.gz OFESMUKNTXUACS-UHFFFAOYSA-N -2 3 374.336 0.513 20 0 FCADHL O=C(c1n[nH]c(=O)[n-]1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001609585430 1289242064 /nfs/dbraw/zinc/24/20/64/1289242064.db2.gz OFESMUKNTXUACS-UHFFFAOYSA-N -2 3 374.336 0.513 20 0 FCADHL O=C1COc2cc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)ccc2N1 ZINC001609589063 1289245647 /nfs/dbraw/zinc/24/56/47/1289245647.db2.gz CVPXOVZFAHDBPD-UHFFFAOYSA-N -2 3 373.354 0.393 20 0 FCADHL O=C1COc2cc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)ccc2N1 ZINC001609589063 1289245654 /nfs/dbraw/zinc/24/56/54/1289245654.db2.gz CVPXOVZFAHDBPD-UHFFFAOYSA-N -2 3 373.354 0.393 20 0 FCADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1cncc(-c2nnn[n-]2)c1 ZINC001609595894 1289253874 /nfs/dbraw/zinc/25/38/74/1289253874.db2.gz PSSUMEAHNNJJGY-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1cncc(-c2nn[n-]n2)c1 ZINC001609595894 1289253879 /nfs/dbraw/zinc/25/38/79/1289253879.db2.gz PSSUMEAHNNJJGY-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL CCOC(=O)[C@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001610020763 1289347844 /nfs/dbraw/zinc/34/78/44/1289347844.db2.gz GVCOJKQETMTBIR-CQSZACIVSA-N -2 3 370.427 0.922 20 0 FCADHL CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)no1 ZINC001610038268 1289354499 /nfs/dbraw/zinc/35/44/99/1289354499.db2.gz GLGGEWOENJWVHB-MRVPVSSYSA-N -2 3 356.360 0.739 20 0 FCADHL CN(C)C(=O)C1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCCCC1 ZINC001610093568 1289368455 /nfs/dbraw/zinc/36/84/55/1289368455.db2.gz NYGRVUINLMTKQS-UHFFFAOYSA-N -2 3 361.445 0.911 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)ccc1F ZINC001610147903 1289398061 /nfs/dbraw/zinc/39/80/61/1289398061.db2.gz XORQMEASBQPCQP-CYBMUJFWSA-N -2 3 374.390 0.032 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c(C)o1 ZINC001610149088 1289400060 /nfs/dbraw/zinc/40/00/60/1289400060.db2.gz ZGCVFGQOLJMMGV-JTQLQIEISA-N -2 3 373.431 0.117 20 0 FCADHL COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001610192403 1289419760 /nfs/dbraw/zinc/41/97/60/1289419760.db2.gz AAQJZOXWEKKABS-LLVKDONJSA-N -2 3 368.292 0.943 20 0 FCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001610243087 1289435670 /nfs/dbraw/zinc/43/56/70/1289435670.db2.gz DQDSGVMXHSOKGC-AWEZNQCLSA-N -2 3 363.363 0.770 20 0 FCADHL COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001610249638 1289437597 /nfs/dbraw/zinc/43/75/97/1289437597.db2.gz FJCYQNVGGSOVBO-QMMMGPOBSA-N -3 3 355.727 0.555 20 0 FCADHL CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])c1 ZINC001610378512 1289475765 /nfs/dbraw/zinc/47/57/65/1289475765.db2.gz ROALAAIGUCGGDB-QMMMGPOBSA-N -2 3 359.784 0.445 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(=O)[n-]1 ZINC001610553674 1289508087 /nfs/dbraw/zinc/50/80/87/1289508087.db2.gz RUKJPKZQNGPQBW-UHFFFAOYSA-N -3 3 371.396 0.606 20 0 FCADHL Cn1ccc([C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C(=O)[O-])n1 ZINC001610608117 1289525862 /nfs/dbraw/zinc/52/58/62/1289525862.db2.gz GGZNRCPOPTUVRI-MRVPVSSYSA-N -2 3 367.309 0.277 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC001610736416 1289573163 /nfs/dbraw/zinc/57/31/63/1289573163.db2.gz WIEDIGWUVUHPAX-JTQLQIEISA-N -2 3 351.325 0.268 20 0 FCADHL O=C([O-])c1cn([C@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)nn1 ZINC001610859106 1289610113 /nfs/dbraw/zinc/61/01/13/1289610113.db2.gz SDENZGMXXDXSSI-LURJTMIESA-N -2 3 374.283 0.270 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCc1cn2c(n1)CCCC2 ZINC001610871960 1289613676 /nfs/dbraw/zinc/61/36/76/1289613676.db2.gz ZPLVNZIVFAWKKX-UHFFFAOYSA-N -2 3 356.429 0.895 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC001610871165 1289614419 /nfs/dbraw/zinc/61/44/19/1289614419.db2.gz CJTAPLQGWCJUKC-GXFFZTMASA-N -2 3 362.429 0.440 20 0 FCADHL COc1ccc(S(=O)(=O)CCC(=O)NCc2nc([O-])cc(=O)[n-]2)cc1 ZINC001647867928 1291080054 /nfs/dbraw/zinc/08/00/54/1291080054.db2.gz FTYSNPAFSNRNHI-UHFFFAOYSA-N -2 3 367.383 0.377 20 0 FCADHL O=C([O-])C(=O)Nc1c(Br)c(=O)[n-]c(=O)n1Cc1ccccc1 ZINC001143422411 849487029 /nfs/dbraw/zinc/48/70/29/849487029.db2.gz DPAJRZLQLXAUDE-UHFFFAOYSA-N -2 3 368.143 0.783 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2nc(=O)o[n-]2)ccc1F ZINC001163339473 850365324 /nfs/dbraw/zinc/36/53/24/850365324.db2.gz INLBIJDBNAHADM-UHFFFAOYSA-N -2 3 372.378 0.461 20 0 FCADHL O=C(COc1ncc(Br)cn1)NCCCCP(=O)([O-])[O-] ZINC001177583292 850855833 /nfs/dbraw/zinc/85/58/33/850855833.db2.gz BSUBSRLUSRBSKN-UHFFFAOYSA-N -2 3 368.124 0.692 20 0 FCADHL CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)Cn1nn[n-]c1=S ZINC001177738218 850865289 /nfs/dbraw/zinc/86/52/89/850865289.db2.gz DFHAJBFYWXBCCS-QMMMGPOBSA-N -2 3 356.408 0.004 20 0 FCADHL CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)Cn1nn[n-]c1=S ZINC001177738218 850865292 /nfs/dbraw/zinc/86/52/92/850865292.db2.gz DFHAJBFYWXBCCS-QMMMGPOBSA-N -2 3 356.408 0.004 20 0 FCADHL CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001178586011 850909999 /nfs/dbraw/zinc/90/99/99/850909999.db2.gz GJCGZELZHZAXOI-LLVKDONJSA-N -2 3 366.351 0.696 20 0 FCADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ncn1 ZINC001185566086 851362561 /nfs/dbraw/zinc/36/25/61/851362561.db2.gz GKGYKRJWJXGGQO-UHFFFAOYSA-N -2 3 360.359 0.416 20 0 FCADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC001185566086 851362573 /nfs/dbraw/zinc/36/25/73/851362573.db2.gz GKGYKRJWJXGGQO-UHFFFAOYSA-N -2 3 360.359 0.416 20 0 FCADHL CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-][C@@H]2CO[N-]C2=O)CC1 ZINC001186425662 851430856 /nfs/dbraw/zinc/43/08/56/851430856.db2.gz FDSKUFCRHLJVDR-SNVBAGLBSA-N -2 3 363.361 0.815 20 0 FCADHL CN1CCC[C@H]2CN(C(=O)c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)C[C@H]21 ZINC001189924875 851844113 /nfs/dbraw/zinc/84/41/13/851844113.db2.gz UERIFKDCXBWHLC-IINYFYTJSA-N -2 3 368.411 0.798 20 0 FCADHL CN1CCC[C@@H]2CN(C(=O)c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)C[C@@H]21 ZINC001189924877 851844146 /nfs/dbraw/zinc/84/41/46/851844146.db2.gz UERIFKDCXBWHLC-YGRLFVJLSA-N -2 3 368.411 0.798 20 0 FCADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1SC(=O)[N-]C1=O ZINC001190585248 851926157 /nfs/dbraw/zinc/92/61/57/851926157.db2.gz ZECWMPVQOCDFDL-VIFPVBQESA-N -2 3 364.788 0.714 20 0 FCADHL CCOc1ccc(S(=O)(=O)NCCCc2c[n-][nH]c2=O)cc1C(=O)[O-] ZINC001192658108 852270879 /nfs/dbraw/zinc/27/08/79/852270879.db2.gz UUTICTLAAPSDBT-JTQLQIEISA-N -2 3 369.399 0.574 20 0 FCADHL CCOc1ccc(S(=O)(=O)Nc2cnc(C)[n-]c2=O)cc1C(=O)[O-] ZINC001192674830 852274822 /nfs/dbraw/zinc/27/48/22/852274822.db2.gz OHFHZPQWNDITLZ-NSHDSACASA-N -2 3 353.356 0.460 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCS(=O)(=O)CC2)c(F)cc1F ZINC001195245194 852730381 /nfs/dbraw/zinc/73/03/81/852730381.db2.gz COPHMJBMDOKNMZ-UHFFFAOYSA-N -2 3 369.367 0.519 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCN(C(=O)C3CC3)C2)c(F)cc1F ZINC001195259341 852732770 /nfs/dbraw/zinc/73/27/70/852732770.db2.gz CWDRYKAICKFWCF-VIFPVBQESA-N -2 3 374.365 0.952 20 0 FCADHL COC(=O)[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCOC1 ZINC001195267732 852734634 /nfs/dbraw/zinc/73/46/34/852734634.db2.gz FOELYJFNMKVNNJ-CYBMUJFWSA-N -2 3 365.310 0.273 20 0 FCADHL O=C1[N-]C(=O)[C@H]([N-]S(=O)(=O)c2ccc(Br)cn2)S1 ZINC001196174071 852904115 /nfs/dbraw/zinc/90/41/15/852904115.db2.gz ISPCLVMHPVUPEF-SSDOTTSWSA-N -2 3 352.191 0.432 20 0 FCADHL CC(=O)c1ccc([O-])c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001225998421 857077897 /nfs/dbraw/zinc/07/78/97/857077897.db2.gz KJVBNAFFJGGTJL-ZDUSSCGKSA-N -2 3 359.400 0.562 20 0 FCADHL [S-]c1[n-]c(OC[C@H]2COCCOCCOCCO2)nc2ncnc1-2 ZINC001226787176 857125805 /nfs/dbraw/zinc/12/58/05/857125805.db2.gz VIKDZWSEPDISIK-SNVBAGLBSA-N -2 3 356.404 0.469 20 0 FCADHL C[C@@H](CN1CCOCC1)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227593131 857167365 /nfs/dbraw/zinc/16/73/65/857167365.db2.gz CBYHQOIQCAXPHB-ZETCQYMHSA-N -2 3 358.196 0.921 20 0 FCADHL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=S)nc2ccccc21)[C@H](O)C(=O)[O-] ZINC001228766750 857228217 /nfs/dbraw/zinc/22/82/17/857228217.db2.gz VCBZMVOWIZRLTP-XVKPBYJWSA-N -3 3 352.324 0.360 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CNCCC2=O)c(F)cc1Cl ZINC001238629504 857475380 /nfs/dbraw/zinc/47/53/80/857475380.db2.gz YZYRKJLXCMJRAX-SECBINFHSA-N -2 3 350.755 0.387 20 0 FCADHL COc1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])c(OC)c1 ZINC001258962545 858213262 /nfs/dbraw/zinc/21/32/62/858213262.db2.gz LKDQBMZAMDFNHZ-UHFFFAOYSA-N -2 3 353.333 0.940 20 0 FCADHL O=P([O-])([O-])OCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001259059692 858236048 /nfs/dbraw/zinc/23/60/48/858236048.db2.gz VOELNFLJLBQFRE-UHFFFAOYSA-N -3 3 366.151 0.898 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC(=O)NC2)c(F)cc1Cl ZINC001259223160 858249326 /nfs/dbraw/zinc/24/93/26/858249326.db2.gz QEVFBENIZPSYGO-ZETCQYMHSA-N -2 3 364.782 0.982 20 0 FCADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001326725597 870469795 /nfs/dbraw/zinc/46/97/95/870469795.db2.gz HFMBFNLWCKHARW-FBCQKBJTSA-N -2 3 362.713 0.866 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001600680141 970845343 /nfs/dbraw/zinc/84/53/43/970845343.db2.gz BGGJQHWVECZWFE-SFHVURJKSA-N -2 3 372.381 0.433 20 0 FCADHL NS(=O)(=O)CCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000324131189 971087509 /nfs/dbraw/zinc/08/75/09/971087509.db2.gz IIUBDQICIMHCTO-UHFFFAOYSA-N -2 3 372.371 0.010 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000826175072 947541300 /nfs/dbraw/zinc/54/13/00/947541300.db2.gz SCDHAHXKVJMRHP-LLVKDONJSA-N -2 3 361.358 0.720 20 0 FCADHL O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000826425915 948275661 /nfs/dbraw/zinc/27/56/61/948275661.db2.gz ZWMRYNIIAJVFSX-UHFFFAOYSA-N -2 3 352.318 0.193 20 0 FCADHL O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000826425915 948275670 /nfs/dbraw/zinc/27/56/70/948275670.db2.gz ZWMRYNIIAJVFSX-UHFFFAOYSA-N -2 3 352.318 0.193 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1noc2ccccc12)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449961 948316187 /nfs/dbraw/zinc/31/61/87/948316187.db2.gz QUKGULWXHVFINF-UHFFFAOYSA-N -2 3 373.354 0.596 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1noc2ccccc12)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449961 948316196 /nfs/dbraw/zinc/31/61/96/948316196.db2.gz QUKGULWXHVFINF-UHFFFAOYSA-N -2 3 373.354 0.596 20 0 FCADHL C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1[O-] ZINC001574695551 949111990 /nfs/dbraw/zinc/11/19/90/949111990.db2.gz IBFVNBWMTRVRSE-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncccc1[O-] ZINC001574695551 949112001 /nfs/dbraw/zinc/11/20/01/949112001.db2.gz IBFVNBWMTRVRSE-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)n1 ZINC001574473115 949563751 /nfs/dbraw/zinc/56/37/51/949563751.db2.gz YDFMMOOOQPFFIB-UHFFFAOYSA-N -2 3 353.343 0.374 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)n1 ZINC001574473115 949563767 /nfs/dbraw/zinc/56/37/67/949563767.db2.gz YDFMMOOOQPFFIB-UHFFFAOYSA-N -2 3 353.343 0.374 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1nc(=O)o[n-]1 ZINC001573823194 949818573 /nfs/dbraw/zinc/81/85/73/949818573.db2.gz RDCYODGDJWNJQE-LBPRGKRZSA-N -2 3 373.373 0.825 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1nc(=O)o[n-]1 ZINC001573823194 949818596 /nfs/dbraw/zinc/81/85/96/949818596.db2.gz RDCYODGDJWNJQE-LBPRGKRZSA-N -2 3 373.373 0.825 20 0 FCADHL O=C(N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F)c1n[nH]c(=O)[n-]1 ZINC001570963204 950070759 /nfs/dbraw/zinc/07/07/59/950070759.db2.gz KDFZZKHVYFIMKK-ZETCQYMHSA-N -2 3 354.252 0.724 20 0 FCADHL O=C(N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F)c1n[nH]c(=O)[n-]1 ZINC001570963204 950070778 /nfs/dbraw/zinc/07/07/78/950070778.db2.gz KDFZZKHVYFIMKK-ZETCQYMHSA-N -2 3 354.252 0.724 20 0 FCADHL CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc([O-])cc1F ZINC001570995696 951000160 /nfs/dbraw/zinc/00/01/60/951000160.db2.gz JUPKPGOGANTVAH-UHFFFAOYSA-N -2 3 360.353 0.722 20 0 FCADHL C[C@@H](CNC(=O)c1ccccc1[O-])CNc1ccnc(-c2nnn[n-]2)n1 ZINC001575027213 951155108 /nfs/dbraw/zinc/15/51/08/951155108.db2.gz DERVFKZUBNKYEH-SNVBAGLBSA-N -2 3 354.374 0.262 20 0 FCADHL CSc1nc(=O)[n-]c(C)c1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571011555 951229302 /nfs/dbraw/zinc/22/93/02/951229302.db2.gz FNYYXAUORJPZEO-UHFFFAOYSA-N -2 3 364.416 0.779 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1ccsc1 ZINC001571054194 951838727 /nfs/dbraw/zinc/83/87/27/951838727.db2.gz NYROSVPHISKSNA-JTQLQIEISA-N -2 3 369.384 0.714 20 0 FCADHL O=C([O-])COCCOCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001595116643 951946900 /nfs/dbraw/zinc/94/69/00/951946900.db2.gz OCEXWBRUKBXFJT-UHFFFAOYSA-N -2 3 355.771 0.875 20 0 FCADHL COC(=O)CC[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C(=O)[O-] ZINC001593848795 955439950 /nfs/dbraw/zinc/43/99/50/955439950.db2.gz RVBMNKPKSGHKNA-NSHDSACASA-N -2 3 368.292 0.943 20 0 FCADHL C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000391824412 972378966 /nfs/dbraw/zinc/37/89/66/972378966.db2.gz VXRNTVPOMNYDPE-WPPNPWJKSA-N -2 3 367.782 0.996 20 0 FCADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594171103 958999519 /nfs/dbraw/zinc/99/95/19/958999519.db2.gz APKMCSNGLXAATG-LLVKDONJSA-N -2 3 359.335 0.043 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001594467466 959511694 /nfs/dbraw/zinc/51/16/94/959511694.db2.gz 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0.690 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2F)o1 ZINC000740176695 599773902 /nfs/dbraw/zinc/77/39/02/599773902.db2.gz REFLNWJWRWFHOV-UHFFFAOYSA-N -2 3 356.331 0.825 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)cn1 ZINC000825805113 607402287 /nfs/dbraw/zinc/40/22/87/607402287.db2.gz SERYSFJTAXRBSX-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)cn1 ZINC000825805113 607402288 /nfs/dbraw/zinc/40/22/88/607402288.db2.gz SERYSFJTAXRBSX-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL Cc1c(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)sc2nc3n(c(=O)c12)CCC3 ZINC000738276030 600181437 /nfs/dbraw/zinc/18/14/37/600181437.db2.gz JZQABJMJKYCDBH-UHFFFAOYSA-N -2 3 374.382 0.710 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(N)=O)cc1C(=O)[O-] ZINC000833028694 601219647 /nfs/dbraw/zinc/21/96/47/601219647.db2.gz NPJDMCPIVCHXPM-LBPRGKRZSA-N -2 3 352.368 0.661 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCS(=O)(=O)C2)c1F ZINC000389975506 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ZINC000824270791 607555803 /nfs/dbraw/zinc/55/58/03/607555803.db2.gz GZICDQYSCPLDJL-SNVBAGLBSA-N -2 3 368.419 0.237 20 0 FCADHL CC(C)CO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824270791 607555805 /nfs/dbraw/zinc/55/58/05/607555805.db2.gz GZICDQYSCPLDJL-SNVBAGLBSA-N -2 3 368.419 0.237 20 0 FCADHL CC[C@@H](SC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825159202 607616268 /nfs/dbraw/zinc/61/62/68/607616268.db2.gz LEFFFPZZZNUAKK-LLVKDONJSA-N -2 3 355.445 0.954 20 0 FCADHL CC[C@@H](SC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825159202 607616270 /nfs/dbraw/zinc/61/62/70/607616270.db2.gz LEFFFPZZZNUAKK-LLVKDONJSA-N -2 3 355.445 0.954 20 0 FCADHL O=S(=O)([N-][C@H](CCO)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487487 607644487 /nfs/dbraw/zinc/64/44/87/607644487.db2.gz PVTVRSLOVBDBJQ-LLVKDONJSA-N -2 3 359.358 0.584 20 0 FCADHL O=S(=O)([N-][C@@H](CCO)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487488 607644570 /nfs/dbraw/zinc/64/45/70/607644570.db2.gz PVTVRSLOVBDBJQ-NSHDSACASA-N -2 3 359.358 0.584 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC2CCN(C(=O)[O-])CC2)ccc1F ZINC000828579544 603792046 /nfs/dbraw/zinc/79/20/46/603792046.db2.gz MXJKBNWJDQITAD-UHFFFAOYSA-N -2 3 359.379 0.606 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cn1 ZINC000826163927 607662976 /nfs/dbraw/zinc/66/29/76/607662976.db2.gz RBRNCNAPMIJFSW-UHFFFAOYSA-N -2 3 365.375 0.216 20 0 FCADHL CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833665332 604636644 /nfs/dbraw/zinc/63/66/44/604636644.db2.gz GVLSDJFYDBGKBO-ZETCQYMHSA-N -2 3 371.383 0.765 20 0 FCADHL C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cn(CC(=O)[O-])nn1 ZINC000833534805 604788838 /nfs/dbraw/zinc/78/88/38/604788838.db2.gz IYDQRPPUVIZPEE-VIFPVBQESA-N -2 3 368.371 0.652 20 0 FCADHL CC(C)CN1CCO[C@@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000833487575 605016344 /nfs/dbraw/zinc/01/63/44/605016344.db2.gz JPONTBVFIGCKPB-JTQLQIEISA-N -2 3 363.461 0.476 20 0 FCADHL C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833620971 605046348 /nfs/dbraw/zinc/04/63/48/605046348.db2.gz YSSUWKDHOANNLK-WPRPVWTQSA-N -2 3 373.456 0.767 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1C(N)=O ZINC000822266503 606212492 /nfs/dbraw/zinc/21/24/92/606212492.db2.gz BNCVUXIRWVHPNS-UHFFFAOYSA-N -2 3 374.382 0.780 20 0 FCADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc([O-])n(C)c1=O ZINC000820151299 606360443 /nfs/dbraw/zinc/36/04/43/606360443.db2.gz GKSOVHGDMISAML-UHFFFAOYSA-N -2 3 371.357 0.706 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCOCC1CC1 ZINC000822222857 606409167 /nfs/dbraw/zinc/40/91/67/606409167.db2.gz VYLRQJYOCMSIRM-UHFFFAOYSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCOCC1CC1 ZINC000822222857 606409168 /nfs/dbraw/zinc/40/91/68/606409168.db2.gz VYLRQJYOCMSIRM-UHFFFAOYSA-N -2 3 365.415 0.797 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821859137 606464774 /nfs/dbraw/zinc/46/47/74/606464774.db2.gz LLMVBYPURQREPI-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821859137 606464776 /nfs/dbraw/zinc/46/47/76/606464776.db2.gz LLMVBYPURQREPI-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823270066 606583243 /nfs/dbraw/zinc/58/32/43/606583243.db2.gz XJLANXDQMCJMCE-UHFFFAOYSA-N -2 3 361.387 0.828 20 0 FCADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1C ZINC000821668193 606590756 /nfs/dbraw/zinc/59/07/56/606590756.db2.gz UQIGSWLOJGFTCZ-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1n[nH]c(=O)[n-]1 ZINC000823155059 606594877 /nfs/dbraw/zinc/59/48/77/606594877.db2.gz NRYXAIIQMPMBTF-UHFFFAOYSA-N -2 3 355.362 0.089 20 0 FCADHL O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1n[nH]c(=O)[n-]1 ZINC000823155059 606594879 /nfs/dbraw/zinc/59/48/79/606594879.db2.gz NRYXAIIQMPMBTF-UHFFFAOYSA-N -2 3 355.362 0.089 20 0 FCADHL COc1ccc(OC)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821841269 606709651 /nfs/dbraw/zinc/70/96/51/606709651.db2.gz GMTMKZXDRPJBKY-UHFFFAOYSA-N -2 3 365.375 0.418 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000822708667 606710211 /nfs/dbraw/zinc/71/02/11/606710211.db2.gz AUYZMRAXXVHINA-UHFFFAOYSA-N -2 3 351.396 0.353 20 0 FCADHL CCn1cnc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c1 ZINC000821566719 606820279 /nfs/dbraw/zinc/82/02/79/606820279.db2.gz QWUXYSHQCMXYKO-UHFFFAOYSA-N -2 3 362.419 0.950 20 0 FCADHL CSc1n[nH]c([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000821990047 606861320 /nfs/dbraw/zinc/86/13/20/606861320.db2.gz PDLMZOQWGJLZBA-UHFFFAOYSA-N -2 3 352.405 0.816 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCCO1 ZINC000820438004 606884282 /nfs/dbraw/zinc/88/42/82/606884282.db2.gz GAMNUGFWDUSHAY-CPCISQLKSA-N -2 3 359.358 0.991 20 0 FCADHL C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820308484 606885979 /nfs/dbraw/zinc/88/59/79/606885979.db2.gz VPIQLENLWAMJLR-QMMMGPOBSA-N -2 3 369.357 0.708 20 0 FCADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000822520131 606888799 /nfs/dbraw/zinc/88/87/99/606888799.db2.gz RWXAFLQPTYUXSX-RXMQYKEDSA-N -2 3 371.329 0.876 20 0 FCADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822520131 606888800 /nfs/dbraw/zinc/88/88/00/606888800.db2.gz RWXAFLQPTYUXSX-RXMQYKEDSA-N -2 3 371.329 0.876 20 0 FCADHL O=S(=O)([N-]C[C@@H]1CCCCO1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573748 606889011 /nfs/dbraw/zinc/88/90/11/606889011.db2.gz YKONQSWBLHRLFP-VIFPVBQESA-N -2 3 359.358 0.992 20 0 FCADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cccc2c1OCCO2 ZINC000823588907 607026715 /nfs/dbraw/zinc/02/67/15/607026715.db2.gz FDYMRYSWEUUDAH-UHFFFAOYSA-N -2 3 366.384 0.895 20 0 FCADHL CCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821164338 607091236 /nfs/dbraw/zinc/09/12/36/607091236.db2.gz CHYCIBICRMUZCI-UHFFFAOYSA-N -2 3 368.419 0.337 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000821700731 607110162 /nfs/dbraw/zinc/11/01/62/607110162.db2.gz WILVHWAKXYXSEF-INIZCTEOSA-N -2 3 361.358 0.577 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825076131 607776581 /nfs/dbraw/zinc/77/65/81/607776581.db2.gz TZMGFQUUWQOHJF-JTQLQIEISA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825076131 607776582 /nfs/dbraw/zinc/77/65/82/607776582.db2.gz TZMGFQUUWQOHJF-JTQLQIEISA-N -2 3 353.404 0.628 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826147601 607924399 /nfs/dbraw/zinc/92/43/99/607924399.db2.gz CZOOUUBFUAZRNV-UHFFFAOYSA-N -2 3 353.404 0.653 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826147601 607924400 /nfs/dbraw/zinc/92/44/00/607924400.db2.gz CZOOUUBFUAZRNV-UHFFFAOYSA-N -2 3 353.404 0.653 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409102 607985577 /nfs/dbraw/zinc/98/55/77/607985577.db2.gz IUKNMNQJTPQBJO-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409102 607985578 /nfs/dbraw/zinc/98/55/78/607985578.db2.gz IUKNMNQJTPQBJO-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824199361 608010131 /nfs/dbraw/zinc/01/01/31/608010131.db2.gz IOPVGPGELRWQDD-JTQLQIEISA-N -2 3 359.795 0.908 20 0 FCADHL CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824199361 608010132 /nfs/dbraw/zinc/01/01/32/608010132.db2.gz IOPVGPGELRWQDD-JTQLQIEISA-N -2 3 359.795 0.908 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000824198395 608010399 /nfs/dbraw/zinc/01/03/99/608010399.db2.gz BVQFSYACTHCWFI-SNVBAGLBSA-N -2 3 359.795 0.908 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)[O-] ZINC000824198395 608010400 /nfs/dbraw/zinc/01/04/00/608010400.db2.gz BVQFSYACTHCWFI-SNVBAGLBSA-N -2 3 359.795 0.908 20 0 FCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC000824198645 608010403 /nfs/dbraw/zinc/01/04/03/608010403.db2.gz CFBJFPJLHFIFIT-SECBINFHSA-N -3 3 361.330 0.532 20 0 FCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C(=O)[O-] ZINC000824641842 608010471 /nfs/dbraw/zinc/01/04/71/608010471.db2.gz ZXBYGNZHVWHDON-YFKPBYRVSA-N -2 3 365.293 0.637 20 0 FCADHL O=C([O-])CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826461063 608010750 /nfs/dbraw/zinc/01/07/50/608010750.db2.gz DTJDWKBBCSJLCS-UHFFFAOYSA-N -2 3 365.293 0.639 20 0 FCADHL CC(C)C[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824236095 608011142 /nfs/dbraw/zinc/01/11/42/608011142.db2.gz MLJRFXWFUALWQV-LBPRGKRZSA-N -2 3 353.404 0.785 20 0 FCADHL CC(C)C[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824236095 608011143 /nfs/dbraw/zinc/01/11/43/608011143.db2.gz MLJRFXWFUALWQV-LBPRGKRZSA-N -2 3 353.404 0.785 20 0 FCADHL C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824450099 608124944 /nfs/dbraw/zinc/12/49/44/608124944.db2.gz RVIGFJULTRPATI-UHNXPUEWSA-N -2 3 365.387 0.190 20 0 FCADHL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000825035104 608306583 /nfs/dbraw/zinc/30/65/83/608306583.db2.gz VOYLBDJELZSXGV-UHFFFAOYSA-N -2 3 362.375 0.739 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826450426 608478715 /nfs/dbraw/zinc/47/87/15/608478715.db2.gz LVLFDIMKNDAPKQ-UHFFFAOYSA-N -2 3 373.350 0.714 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826450426 608478717 /nfs/dbraw/zinc/47/87/17/608478717.db2.gz LVLFDIMKNDAPKQ-UHFFFAOYSA-N -2 3 373.350 0.714 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826221944 608819608 /nfs/dbraw/zinc/81/96/08/608819608.db2.gz BOVFWHUDRYSAQP-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826221944 608819611 /nfs/dbraw/zinc/81/96/11/608819611.db2.gz BOVFWHUDRYSAQP-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826422039 609162179 /nfs/dbraw/zinc/16/21/79/609162179.db2.gz KCFGODIWQGISEB-LBPRGKRZSA-N -2 3 351.388 0.034 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826422039 609162180 /nfs/dbraw/zinc/16/21/80/609162180.db2.gz KCFGODIWQGISEB-LBPRGKRZSA-N -2 3 351.388 0.034 20 0 FCADHL COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826221476 609254609 /nfs/dbraw/zinc/25/46/09/609254609.db2.gz HRZWRKSBVCPFLZ-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826221476 609254610 /nfs/dbraw/zinc/25/46/10/609254610.db2.gz HRZWRKSBVCPFLZ-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826408393 609366354 /nfs/dbraw/zinc/36/63/54/609366354.db2.gz DHIULPQGTACVHC-CYBMUJFWSA-N -2 3 365.415 0.424 20 0 FCADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826408393 609366357 /nfs/dbraw/zinc/36/63/57/609366357.db2.gz DHIULPQGTACVHC-CYBMUJFWSA-N -2 3 365.415 0.424 20 0 FCADHL C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825014492 609611822 /nfs/dbraw/zinc/61/18/22/609611822.db2.gz WGUPGXHAGRSELN-WPPNPWJKSA-N -2 3 359.358 0.991 20 0 FCADHL Cc1nonc1C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000742326562 668034118 /nfs/dbraw/zinc/03/41/18/668034118.db2.gz UYYJYVVINFTHMM-UHFFFAOYSA-N -2 3 364.380 0.367 20 0 FCADHL O=C(Nc1ccc([O-])c(C(=O)NCc2nnn[n-]2)c1)OCC(F)(F)F ZINC000769818443 668155362 /nfs/dbraw/zinc/15/53/62/668155362.db2.gz VCQHJAFROIORJX-UHFFFAOYSA-N -2 3 360.252 0.946 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])nc1Cl ZINC000776533898 668268837 /nfs/dbraw/zinc/26/88/37/668268837.db2.gz OKPJRWHETXAQPD-SECBINFHSA-N -2 3 358.807 0.690 20 0 FCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC1CCOCC1)C(=O)[O-] ZINC000776603154 668278119 /nfs/dbraw/zinc/27/81/19/668278119.db2.gz ULTDCTOXVBCPDD-JTQLQIEISA-N -2 3 365.839 0.930 20 0 FCADHL CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000772758935 668326671 /nfs/dbraw/zinc/32/66/71/668326671.db2.gz HIFWKCROVZDCHG-UHFFFAOYSA-N -2 3 350.393 0.968 20 0 FCADHL C/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784895026 668681059 /nfs/dbraw/zinc/68/10/59/668681059.db2.gz AQXVDZGNKJVFOI-XBXARRHUSA-N -2 3 350.393 0.968 20 0 FCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000819933842 669041561 /nfs/dbraw/zinc/04/15/61/669041561.db2.gz CDMNHXWGVSCSII-QHCPKHFHSA-N -2 3 372.424 0.913 20 0 FCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2cn(C)nc2C)c1 ZINC000821108743 669157707 /nfs/dbraw/zinc/15/77/07/669157707.db2.gz XSGZTXICRIFRNQ-HSZRJFAPSA-N -2 3 371.440 0.350 20 0 FCADHL Cn1c(=O)c2ccc(C(=O)NCCCc3cc(=O)[nH][n-]3)cc2[n-]c1=S ZINC000808258416 669554053 /nfs/dbraw/zinc/55/40/53/669554053.db2.gz IWPNSBBURAGYGZ-UHFFFAOYSA-N -2 3 359.411 0.608 20 0 FCADHL Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)cn1 ZINC000833047094 669930273 /nfs/dbraw/zinc/93/02/73/669930273.db2.gz JQNXFKQBVOOJSP-SNVBAGLBSA-N -2 3 354.388 0.659 20 0 FCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)[C@H]1CCOC1 ZINC000837287233 670093975 /nfs/dbraw/zinc/09/39/75/670093975.db2.gz UUWSMDVOGQKYKR-IMTBSYHQSA-N -2 3 361.763 0.644 20 0 FCADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837288763 670094526 /nfs/dbraw/zinc/09/45/26/670094526.db2.gz QBIPLIYBIAWBCX-XVKPBYJWSA-N -2 3 363.779 0.769 20 0 FCADHL CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840891704 670524007 /nfs/dbraw/zinc/52/40/07/670524007.db2.gz ZOKQIUOTEVTLMW-UFBFGSQYSA-N -2 3 365.354 0.993 20 0 FCADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C(=O)[O-] ZINC000848675709 671289397 /nfs/dbraw/zinc/28/93/97/671289397.db2.gz HQWBVYFWUKWJSA-SNVBAGLBSA-N -2 3 363.363 0.689 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1 ZINC000800025099 673411186 /nfs/dbraw/zinc/41/11/86/673411186.db2.gz CJQBZEVKPGNPGY-GFCCVEGCSA-N -2 3 364.763 0.044 20 0 FCADHL O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075921660 1192459577 /nfs/dbraw/zinc/45/95/77/1192459577.db2.gz HYMIXBRKRHDCCJ-CMPLNLGQSA-N -2 3 371.401 0.230 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cnc[n-]c3=O)C2)c1[O-] ZINC000981604263 1186457766 /nfs/dbraw/zinc/45/77/66/1186457766.db2.gz DKPGKGSUJKQCPE-VHSXEESVSA-N -2 3 360.374 0.248 20 0 FCADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)OC ZINC000383564258 1188354543 /nfs/dbraw/zinc/35/45/43/1188354543.db2.gz XQTKVRDVSMAZNJ-YFKPBYRVSA-N -2 3 370.177 0.970 20 0 FCADHL CN(C)CCN(CC(=O)[O-])C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000766938271 1199105698 /nfs/dbraw/zinc/10/56/98/1199105698.db2.gz KPXHSLRURPVVDW-AWEZNQCLSA-N -2 3 362.386 0.181 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110764255 1209808567 /nfs/dbraw/zinc/80/85/67/1209808567.db2.gz LEPHMDZAGPYPNV-RTXFEEFZSA-N -2 3 373.417 0.169 20 0 FCADHL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)n1 ZINC000826834973 1218908468 /nfs/dbraw/zinc/90/84/68/1218908468.db2.gz ZDDDMXMAPFAIMZ-CQSZACIVSA-N -2 3 369.385 0.867 20 0 FCADHL CCO[N-]C(=O)CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001118271070 1221748426 /nfs/dbraw/zinc/74/84/26/1221748426.db2.gz HKPITONIGROROS-UHFFFAOYSA-N -2 3 359.386 0.257 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c(C)nc[n-]c2=O)c1[O-] ZINC000996082926 1251152192 /nfs/dbraw/zinc/15/21/92/1251152192.db2.gz RAPVDWYXZRZBJM-VWYCJHECSA-N -2 3 372.385 0.403 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC000999505289 1252129187 /nfs/dbraw/zinc/12/91/87/1252129187.db2.gz LXLCVZSGBVNFEN-WOPDTQHZSA-N -2 3 369.381 0.767 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001299928987 1262981180 /nfs/dbraw/zinc/98/11/80/1262981180.db2.gz OADALEMQEFCPQF-UHFFFAOYSA-N -2 3 370.369 0.408 20 0 FCADHL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001580455949 1278329224 /nfs/dbraw/zinc/32/92/24/1278329224.db2.gz COJWMVLJPGRHMS-YUMQZZPRSA-N -2 3 356.312 0.693 20 0 FCADHL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001580455949 1278329230 /nfs/dbraw/zinc/32/92/30/1278329230.db2.gz COJWMVLJPGRHMS-YUMQZZPRSA-N -2 3 356.312 0.693 20 0 FCADHL Cc1c(-c2nnn[n-]2)c(=O)n(CC(=O)c2ccc([O-])cc2)c(=O)n1C1CC1 ZINC001580521157 1278444012 /nfs/dbraw/zinc/44/40/12/1278444012.db2.gz JHSBTCKFKLATEW-UHFFFAOYSA-N -2 3 368.353 0.422 20 0 FCADHL Cc1c(-c2nn[n-]n2)c(=O)n(CC(=O)c2ccc([O-])cc2)c(=O)n1C1CC1 ZINC001580521157 1278444022 /nfs/dbraw/zinc/44/40/22/1278444022.db2.gz JHSBTCKFKLATEW-UHFFFAOYSA-N -2 3 368.353 0.422 20 0 FCADHL Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(Cc1nnn[n-]1)CC(C)C ZINC001580598127 1278556350 /nfs/dbraw/zinc/55/63/50/1278556350.db2.gz RTDISODZJCLTAL-UHFFFAOYSA-N -2 3 358.366 0.087 20 0 FCADHL Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(Cc1nnn[n-]1)CC(C)C ZINC001580598127 1278556359 /nfs/dbraw/zinc/55/63/59/1278556359.db2.gz RTDISODZJCLTAL-UHFFFAOYSA-N -2 3 358.366 0.087 20 0 FCADHL Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001580598127 1278556365 /nfs/dbraw/zinc/55/63/65/1278556365.db2.gz RTDISODZJCLTAL-UHFFFAOYSA-N -2 3 358.366 0.087 20 0 FCADHL Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001580598127 1278556373 /nfs/dbraw/zinc/55/63/73/1278556373.db2.gz RTDISODZJCLTAL-UHFFFAOYSA-N -2 3 358.366 0.087 20 0 FCADHL Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001580598244 1278554839 /nfs/dbraw/zinc/55/48/39/1278554839.db2.gz UNDWUBXLRKUBTE-UHFFFAOYSA-N -2 3 372.345 0.384 20 0 FCADHL Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001580598244 1278554858 /nfs/dbraw/zinc/55/48/58/1278554858.db2.gz UNDWUBXLRKUBTE-UHFFFAOYSA-N -2 3 372.345 0.384 20 0 FCADHL CC(C)[C@H](CNC(=O)c1ncccc1[O-])Nc1cncc(-c2nnn[n-]2)n1 ZINC001574060426 1271047816 /nfs/dbraw/zinc/04/78/16/1271047816.db2.gz BNMZMUJJRBVGDY-JTQLQIEISA-N -2 3 369.389 0.624 20 0 FCADHL CC(C)[C@H](CNC(=O)c1ncccc1[O-])Nc1cncc(-c2nn[n-]n2)n1 ZINC001574060426 1271047821 /nfs/dbraw/zinc/04/78/21/1271047821.db2.gz BNMZMUJJRBVGDY-JTQLQIEISA-N -2 3 369.389 0.624 20 0 FCADHL C[C@H](C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574548120 1271338036 /nfs/dbraw/zinc/33/80/36/1271338036.db2.gz WNJHRYXGQFAFTF-NXEZZACHSA-N -2 3 369.389 0.188 20 0 FCADHL C[C@@H](CN(C)c1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ncccc1[O-] ZINC001574820637 1271562189 /nfs/dbraw/zinc/56/21/89/1271562189.db2.gz XFMJHTJABXKGEB-VIFPVBQESA-N -2 3 372.364 0.756 20 0 FCADHL C[C@@H](CN(C)c1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ncccc1[O-] ZINC001574820637 1271562195 /nfs/dbraw/zinc/56/21/95/1271562195.db2.gz XFMJHTJABXKGEB-VIFPVBQESA-N -2 3 372.364 0.756 20 0 FCADHL C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1ncccc1[O-] ZINC001576043035 1272763593 /nfs/dbraw/zinc/76/35/93/1272763593.db2.gz XSKOJXVAZDRCSR-NXEZZACHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1ncccc1[O-] ZINC001576043035 1272763599 /nfs/dbraw/zinc/76/35/99/1272763599.db2.gz XSKOJXVAZDRCSR-NXEZZACHSA-N -2 3 367.373 0.472 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)c1[O-] ZINC001580720181 1278798548 /nfs/dbraw/zinc/79/85/48/1278798548.db2.gz PYSQSUDZICEZLV-SSDOTTSWSA-N -2 3 372.393 0.180 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)c1[O-] ZINC001580720181 1278798551 /nfs/dbraw/zinc/79/85/51/1278798551.db2.gz PYSQSUDZICEZLV-SSDOTTSWSA-N -2 3 372.393 0.180 20 0 FCADHL CCCN(CCNC(=O)c1ncccc1[O-])c1cncc(-c2nnn[n-]2)n1 ZINC001577657835 1274665625 /nfs/dbraw/zinc/66/56/25/1274665625.db2.gz HUBUJOHXTDFGMI-UHFFFAOYSA-N -2 3 369.389 0.404 20 0 FCADHL CCCN(CCNC(=O)c1ncccc1[O-])c1cncc(-c2nn[n-]n2)n1 ZINC001577657835 1274665633 /nfs/dbraw/zinc/66/56/33/1274665633.db2.gz HUBUJOHXTDFGMI-UHFFFAOYSA-N -2 3 369.389 0.404 20 0 FCADHL CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1nc(C)ccc1-c1nn[n-]n1 ZINC001578056886 1275349092 /nfs/dbraw/zinc/34/90/92/1275349092.db2.gz MQISWGAQSCSBID-UHFFFAOYSA-N -2 3 371.405 0.564 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001578101429 1275402702 /nfs/dbraw/zinc/40/27/02/1275402702.db2.gz BJJKWJDEWRBBGP-UHFFFAOYSA-N -2 3 369.389 0.322 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001578101429 1275402707 /nfs/dbraw/zinc/40/27/07/1275402707.db2.gz BJJKWJDEWRBBGP-UHFFFAOYSA-N -2 3 369.389 0.322 20 0 FCADHL Cc1cc(C(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)ncc1-c1nnn[n-]1 ZINC001580823626 1278999252 /nfs/dbraw/zinc/99/92/52/1278999252.db2.gz CNIVNRPQVUQJIS-JTQLQIEISA-N -2 3 358.362 0.764 20 0 FCADHL Cc1cc(C(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)ncc1-c1nn[n-]n1 ZINC001580823626 1278999256 /nfs/dbraw/zinc/99/92/56/1278999256.db2.gz CNIVNRPQVUQJIS-JTQLQIEISA-N -2 3 358.362 0.764 20 0 FCADHL CCn1[n-]nnc1=NC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001578838887 1276358852 /nfs/dbraw/zinc/35/88/52/1276358852.db2.gz ZMTYMFKFTNMXTM-GFCCVEGCSA-N -2 3 354.378 0.494 20 0 FCADHL CCn1[n-]nnc1=NC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001578838887 1276358855 /nfs/dbraw/zinc/35/88/55/1276358855.db2.gz ZMTYMFKFTNMXTM-GFCCVEGCSA-N -2 3 354.378 0.494 20 0 FCADHL CN(CCCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)c1ncccc1[O-] ZINC001579116938 1276789454 /nfs/dbraw/zinc/78/94/54/1276789454.db2.gz PFTXPWZXLOPTQD-UHFFFAOYSA-N -2 3 369.389 0.356 20 0 FCADHL CN(CCCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)c1ncccc1[O-] ZINC001579116938 1276789458 /nfs/dbraw/zinc/78/94/58/1276789458.db2.gz PFTXPWZXLOPTQD-UHFFFAOYSA-N -2 3 369.389 0.356 20 0 FCADHL CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(F)c1[O-] ZINC001579130823 1276817046 /nfs/dbraw/zinc/81/70/46/1276817046.db2.gz QXMRAJWCKIFCJL-UHFFFAOYSA-N -2 3 360.353 0.722 20 0 FCADHL CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(F)c1[O-] ZINC001579130823 1276817066 /nfs/dbraw/zinc/81/70/66/1276817066.db2.gz QXMRAJWCKIFCJL-UHFFFAOYSA-N -2 3 360.353 0.722 20 0 FCADHL CN1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C[C@H]1C(C)(C)C ZINC001579378049 1277258207 /nfs/dbraw/zinc/25/82/07/1277258207.db2.gz XSQRRJIYJAKPJA-ZDUSSCGKSA-N -2 3 371.449 0.777 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001580261319 1278057611 /nfs/dbraw/zinc/05/76/11/1278057611.db2.gz FZIRELGNJXJZCO-VIFPVBQESA-N -2 3 370.373 0.234 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581086827 1279351499 /nfs/dbraw/zinc/35/14/99/1279351499.db2.gz JWWVFHUXSQYLPO-IUCAKERBSA-N -2 3 371.405 0.926 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581107446 1279400668 /nfs/dbraw/zinc/40/06/68/1279400668.db2.gz CTCIVHYDROLANW-QMMMGPOBSA-N -2 3 371.405 0.785 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)c1[O-] ZINC001581390639 1279820395 /nfs/dbraw/zinc/82/03/95/1279820395.db2.gz ALCFGBOUHFPHOD-NKWVEPMBSA-N -2 3 358.366 0.013 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)c1[O-] ZINC001581390701 1279820858 /nfs/dbraw/zinc/82/08/58/1279820858.db2.gz CDWKSABZKZUIAW-SECBINFHSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581391623 1279822064 /nfs/dbraw/zinc/82/20/64/1279822064.db2.gz LHVPLEANYVAIBN-QMMMGPOBSA-N -2 3 357.378 0.477 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581391623 1279822065 /nfs/dbraw/zinc/82/20/65/1279822065.db2.gz LHVPLEANYVAIBN-QMMMGPOBSA-N -2 3 357.378 0.477 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c1[O-] ZINC001581391369 1279822877 /nfs/dbraw/zinc/82/28/77/1279822877.db2.gz IBQRLHWTAZLBMN-HOMQSWHASA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c1[O-] ZINC001581391369 1279822879 /nfs/dbraw/zinc/82/28/79/1279822879.db2.gz IBQRLHWTAZLBMN-HOMQSWHASA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2ncccc2-c2nn[n-]n2)C2CC2)c1[O-] ZINC001581391928 1279823853 /nfs/dbraw/zinc/82/38/53/1279823853.db2.gz OZONFTHWVFUYKI-LLVKDONJSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1[O-] ZINC001581391878 1279824561 /nfs/dbraw/zinc/82/45/61/1279824561.db2.gz NZCFAKBMXGBRTL-VIFPVBQESA-N -2 3 355.362 0.008 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1[O-] ZINC001581391878 1279824566 /nfs/dbraw/zinc/82/45/66/1279824566.db2.gz NZCFAKBMXGBRTL-VIFPVBQESA-N -2 3 355.362 0.008 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)c1[O-] ZINC001581391974 1279824658 /nfs/dbraw/zinc/82/46/58/1279824658.db2.gz QNEYUMRFMPEYPQ-SECBINFHSA-N -2 3 370.377 0.014 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603647974 1287456832 /nfs/dbraw/zinc/45/68/32/1287456832.db2.gz BCFMJIWIVURDNW-IUCAKERBSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603647974 1287456840 /nfs/dbraw/zinc/45/68/40/1287456840.db2.gz BCFMJIWIVURDNW-IUCAKERBSA-N -2 3 355.362 0.376 20 0 FCADHL O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1cc(Cl)ccc1[O-] ZINC001582187954 1281166047 /nfs/dbraw/zinc/16/60/47/1281166047.db2.gz ZCXXWCTVWRKOIX-UHFFFAOYSA-N -2 3 363.721 0.127 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001603751818 1287487711 /nfs/dbraw/zinc/48/77/11/1287487711.db2.gz NZXQWCGIWFGKHR-CYBMUJFWSA-N -2 3 355.351 0.491 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001603751818 1287487714 /nfs/dbraw/zinc/48/77/14/1287487714.db2.gz NZXQWCGIWFGKHR-CYBMUJFWSA-N -2 3 355.351 0.491 20 0 FCADHL O=C(N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1c[n-]n2c1nccc2=O ZINC001582337708 1281369170 /nfs/dbraw/zinc/36/91/70/1281369170.db2.gz RPKLZMNJXRPIDM-GFCCVEGCSA-N -2 3 362.353 0.100 20 0 FCADHL O=C(N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1c[n-]n2c1nccc2=O ZINC001582337708 1281369172 /nfs/dbraw/zinc/36/91/72/1281369172.db2.gz RPKLZMNJXRPIDM-GFCCVEGCSA-N -2 3 362.353 0.100 20 0 FCADHL O=C(NC[C@H](Nc1ncccc1-c1nnn[n-]1)C1CC1)c1ncccc1[O-] ZINC001582366219 1281419330 /nfs/dbraw/zinc/41/93/30/1281419330.db2.gz BFWMWCWDLHPPTB-LBPRGKRZSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC[C@H](Nc1ncccc1-c1nn[n-]n1)C1CC1)c1ncccc1[O-] ZINC001582366219 1281419333 /nfs/dbraw/zinc/41/93/33/1281419333.db2.gz BFWMWCWDLHPPTB-LBPRGKRZSA-N -2 3 366.385 0.983 20 0 FCADHL C[C@]1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCC(=O)N1 ZINC001603805226 1287503341 /nfs/dbraw/zinc/50/33/41/1287503341.db2.gz RVPKOFMHUZPSNH-CYBMUJFWSA-N -2 3 372.357 0.092 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1)c1ccccc1[O-] ZINC001582607682 1281797766 /nfs/dbraw/zinc/79/77/66/1281797766.db2.gz JROHAXYHGXSUHE-XYPYZODXSA-N -2 3 366.385 0.405 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582611879 1281805965 /nfs/dbraw/zinc/80/59/65/1281805965.db2.gz MJOIGSREAQDTNJ-XYPYZODXSA-N -2 3 352.358 0.735 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001582751647 1281976786 /nfs/dbraw/zinc/97/67/86/1281976786.db2.gz QJXLXJHEXJHGSK-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001582751647 1281976794 /nfs/dbraw/zinc/97/67/94/1281976794.db2.gz QJXLXJHEXJHGSK-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001582751801 1281978969 /nfs/dbraw/zinc/97/89/69/1281978969.db2.gz WYTXMLNIDZJWGP-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001582751801 1281978972 /nfs/dbraw/zinc/97/89/72/1281978972.db2.gz WYTXMLNIDZJWGP-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL O=S(=O)([N-][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582797914 1282020530 /nfs/dbraw/zinc/02/05/30/1282020530.db2.gz NKYWFNDJJGJHEH-YODLHVAQSA-N -2 3 369.353 0.599 20 0 FCADHL CC(C)n1nccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[n-]c1=O ZINC001604048271 1287561852 /nfs/dbraw/zinc/56/18/52/1287561852.db2.gz TYIKTKHVHROWHA-QMMMGPOBSA-N -3 3 355.351 0.084 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001604081628 1287566863 /nfs/dbraw/zinc/56/68/63/1287566863.db2.gz HGPZGUIMAYWGPG-AWEZNQCLSA-N -2 3 351.388 0.885 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001604081628 1287566869 /nfs/dbraw/zinc/56/68/69/1287566869.db2.gz HGPZGUIMAYWGPG-AWEZNQCLSA-N -2 3 351.388 0.885 20 0 FCADHL CC(=O)CCC(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001588785690 1282699803 /nfs/dbraw/zinc/69/98/03/1282699803.db2.gz HTBFJIVASXAVMU-UHFFFAOYSA-N -2 3 355.351 0.321 20 0 FCADHL CC(=O)CCC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588785690 1282699819 /nfs/dbraw/zinc/69/98/19/1282699819.db2.gz HTBFJIVASXAVMU-UHFFFAOYSA-N -2 3 355.351 0.321 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001589003369 1282764844 /nfs/dbraw/zinc/76/48/44/1282764844.db2.gz XAFCDNWDJNAINQ-MRVPVSSYSA-N -2 3 353.379 0.998 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001589003369 1282764852 /nfs/dbraw/zinc/76/48/52/1282764852.db2.gz XAFCDNWDJNAINQ-MRVPVSSYSA-N -2 3 353.379 0.998 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001589025289 1282774992 /nfs/dbraw/zinc/77/49/92/1282774992.db2.gz PRNFCUAVWQKKMY-ZETCQYMHSA-N -2 3 355.351 0.347 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001589417873 1282876833 /nfs/dbraw/zinc/87/68/33/1282876833.db2.gz HPNOJFFYTVZAOV-CYBMUJFWSA-N -2 3 359.390 0.267 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001589417873 1282876840 /nfs/dbraw/zinc/87/68/40/1282876840.db2.gz HPNOJFFYTVZAOV-CYBMUJFWSA-N -2 3 359.390 0.267 20 0 FCADHL CC(C)C[C@H](CNC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001589552928 1282909858 /nfs/dbraw/zinc/90/98/58/1282909858.db2.gz PIDIERMPGYVQME-CYBMUJFWSA-N -2 3 374.401 0.346 20 0 FCADHL CC(C)C[C@H](CNC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589552928 1282909865 /nfs/dbraw/zinc/90/98/65/1282909865.db2.gz PIDIERMPGYVQME-CYBMUJFWSA-N -2 3 374.401 0.346 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1cnc(-c2nnn[n-]2)cn1 ZINC001604309958 1287605874 /nfs/dbraw/zinc/60/58/74/1287605874.db2.gz PEXFGTANUXEJLR-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1cnc(-c2nn[n-]n2)cn1 ZINC001604309958 1287605877 /nfs/dbraw/zinc/60/58/77/1287605877.db2.gz PEXFGTANUXEJLR-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589673007 1282936140 /nfs/dbraw/zinc/93/61/40/1282936140.db2.gz NVTUZEJIXNRIMQ-QMMMGPOBSA-N -2 3 357.367 0.878 20 0 FCADHL CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589673007 1282936150 /nfs/dbraw/zinc/93/61/50/1282936150.db2.gz NVTUZEJIXNRIMQ-QMMMGPOBSA-N -2 3 357.367 0.878 20 0 FCADHL CC(C)n1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC001589783565 1282999873 /nfs/dbraw/zinc/99/98/73/1282999873.db2.gz DTCXWAAZHSNLRW-UHFFFAOYSA-N -2 3 352.355 0.979 20 0 FCADHL CC(C)n1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC001589783565 1282999882 /nfs/dbraw/zinc/99/98/82/1282999882.db2.gz DTCXWAAZHSNLRW-UHFFFAOYSA-N -2 3 352.355 0.979 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589792933 1283011383 /nfs/dbraw/zinc/01/13/83/1283011383.db2.gz LSZMGMJIJMZEFS-LURJTMIESA-N -2 3 364.309 0.655 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589792933 1283011397 /nfs/dbraw/zinc/01/13/97/1283011397.db2.gz LSZMGMJIJMZEFS-LURJTMIESA-N -2 3 364.309 0.655 20 0 FCADHL C[C@@H](CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001589816134 1283051084 /nfs/dbraw/zinc/05/10/84/1283051084.db2.gz HXNLZTVVZCZRPL-QMMMGPOBSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@H](CNC(=O)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)C(=O)[O-] ZINC001589850962 1283086944 /nfs/dbraw/zinc/08/69/44/1283086944.db2.gz WDCCYIBTCFAHHB-SNVBAGLBSA-N -2 3 372.385 0.195 20 0 FCADHL C[C@H](CNC(=O)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C(=O)[O-] ZINC001589850962 1283086952 /nfs/dbraw/zinc/08/69/52/1283086952.db2.gz WDCCYIBTCFAHHB-SNVBAGLBSA-N -2 3 372.385 0.195 20 0 FCADHL CC(F)(F)C(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589905574 1283117050 /nfs/dbraw/zinc/11/70/50/1283117050.db2.gz JSJUUULSTBWNCL-UHFFFAOYSA-N -2 3 360.346 0.748 20 0 FCADHL CC(F)(F)C(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589905574 1283117051 /nfs/dbraw/zinc/11/70/51/1283117051.db2.gz JSJUUULSTBWNCL-UHFFFAOYSA-N -2 3 360.346 0.748 20 0 FCADHL C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccc(-c2nnn[n-]2)c1 ZINC001589915293 1283126504 /nfs/dbraw/zinc/12/65/04/1283126504.db2.gz YNFYQTMVFWNEFH-BTDLBPIBSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccc(-c2nn[n-]n2)c1 ZINC001589915293 1283126510 /nfs/dbraw/zinc/12/65/10/1283126510.db2.gz YNFYQTMVFWNEFH-BTDLBPIBSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589918878 1283130982 /nfs/dbraw/zinc/13/09/82/1283130982.db2.gz PSPBOEKBXBLAGA-QWRGUYRKSA-N -2 3 360.374 0.128 20 0 FCADHL C[C@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589918878 1283130990 /nfs/dbraw/zinc/13/09/90/1283130990.db2.gz PSPBOEKBXBLAGA-QWRGUYRKSA-N -2 3 360.374 0.128 20 0 FCADHL C[C@@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl)[C@@H](C)C(=O)[O-] ZINC001589973963 1283151085 /nfs/dbraw/zinc/15/10/85/1283151085.db2.gz KLSUJTBQJSKMNP-RNFRBKRXSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)[C@@H](C)C(=O)[O-] ZINC001589976355 1283152690 /nfs/dbraw/zinc/15/26/90/1283152690.db2.gz QTGVVFUMLZLMTN-RNFRBKRXSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)[C@@H](C)C(=O)[O-] ZINC001589976355 1283152695 /nfs/dbraw/zinc/15/26/95/1283152695.db2.gz QTGVVFUMLZLMTN-RNFRBKRXSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1(F)F ZINC001590068344 1283198170 /nfs/dbraw/zinc/19/81/70/1283198170.db2.gz IDWNSUMTBOCXAI-GFCCVEGCSA-N -2 3 357.342 0.858 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1(F)F ZINC001590068344 1283198173 /nfs/dbraw/zinc/19/81/73/1283198173.db2.gz IDWNSUMTBOCXAI-GFCCVEGCSA-N -2 3 357.342 0.858 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2F)CCOC1 ZINC001590069423 1283200118 /nfs/dbraw/zinc/20/01/18/1283200118.db2.gz YTHNXXILXQZZTJ-CQSZACIVSA-N -2 3 369.378 0.378 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001590069423 1283200124 /nfs/dbraw/zinc/20/01/24/1283200124.db2.gz YTHNXXILXQZZTJ-CQSZACIVSA-N -2 3 369.378 0.378 20 0 FCADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590087842 1283210035 /nfs/dbraw/zinc/21/00/35/1283210035.db2.gz ZNUFPCQOHPMYQN-AWEZNQCLSA-N -3 3 365.371 0.173 20 0 FCADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590087842 1283210039 /nfs/dbraw/zinc/21/00/39/1283210039.db2.gz ZNUFPCQOHPMYQN-AWEZNQCLSA-N -3 3 365.371 0.173 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@@H](C(=O)[O-])C1 ZINC001590099372 1283213046 /nfs/dbraw/zinc/21/30/46/1283213046.db2.gz HTRBTCNIPKUJFD-LLVKDONJSA-N -2 3 366.403 0.526 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@@H](C(=O)[O-])C1 ZINC001590099372 1283213056 /nfs/dbraw/zinc/21/30/56/1283213056.db2.gz HTRBTCNIPKUJFD-LLVKDONJSA-N -2 3 366.403 0.526 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001590101154 1283214072 /nfs/dbraw/zinc/21/40/72/1283214072.db2.gz ZFPMBXUACWHGHE-LLVKDONJSA-N -2 3 369.378 0.880 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001590101154 1283214080 /nfs/dbraw/zinc/21/40/80/1283214080.db2.gz ZFPMBXUACWHGHE-LLVKDONJSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590146477 1283244190 /nfs/dbraw/zinc/24/41/90/1283244190.db2.gz GTFRAAZPUAIIDB-KRWDZBQOSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590146477 1283244203 /nfs/dbraw/zinc/24/42/03/1283244203.db2.gz GTFRAAZPUAIIDB-KRWDZBQOSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590165829 1283259703 /nfs/dbraw/zinc/25/97/03/1283259703.db2.gz OXOIMLWNOSBXAO-HQJQHLMTSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590165829 1283259707 /nfs/dbraw/zinc/25/97/07/1283259707.db2.gz OXOIMLWNOSBXAO-HQJQHLMTSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590185748 1283292054 /nfs/dbraw/zinc/29/20/54/1283292054.db2.gz PGJVXJJYCGRTEX-ZYHUDNBSSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590185748 1283292058 /nfs/dbraw/zinc/29/20/58/1283292058.db2.gz PGJVXJJYCGRTEX-ZYHUDNBSSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CO1 ZINC001590183890 1283292670 /nfs/dbraw/zinc/29/26/70/1283292670.db2.gz UYOZRARWVAQYDA-SKDRFNHKSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CO1 ZINC001590183890 1283292680 /nfs/dbraw/zinc/29/26/80/1283292680.db2.gz UYOZRARWVAQYDA-SKDRFNHKSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CC1 ZINC001604394905 1287632147 /nfs/dbraw/zinc/63/21/47/1287632147.db2.gz FZFMSRVCFFMFJI-LBPRGKRZSA-N -2 3 351.388 0.487 20 0 FCADHL CCO[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CC1 ZINC001604394905 1287632152 /nfs/dbraw/zinc/63/21/52/1287632152.db2.gz FZFMSRVCFFMFJI-LBPRGKRZSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590226010 1283355158 /nfs/dbraw/zinc/35/51/58/1283355158.db2.gz IXRLVZXXVBTRGQ-RKDXNWHRSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001590262231 1283385792 /nfs/dbraw/zinc/38/57/92/1283385792.db2.gz BIUKZIPSLBIXHS-VXNVDRBHSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001590262231 1283385803 /nfs/dbraw/zinc/38/58/03/1283385803.db2.gz BIUKZIPSLBIXHS-VXNVDRBHSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@H]1C(=O)[O-] ZINC001590261568 1283386291 /nfs/dbraw/zinc/38/62/91/1283386291.db2.gz OXSVHHHTWYPOMW-BXKDBHETSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@H]1C(=O)[O-] ZINC001590261568 1283386295 /nfs/dbraw/zinc/38/62/95/1283386295.db2.gz OXSVHHHTWYPOMW-BXKDBHETSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001590264862 1283388275 /nfs/dbraw/zinc/38/82/75/1283388275.db2.gz SJMPWNIIHNYJAJ-ZYHUDNBSSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@@H]1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001590264862 1283388281 /nfs/dbraw/zinc/38/82/81/1283388281.db2.gz SJMPWNIIHNYJAJ-ZYHUDNBSSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@H](C(=O)[O-])C1 ZINC001590275646 1283402597 /nfs/dbraw/zinc/40/25/97/1283402597.db2.gz FHHZHFSYQLVCRC-KWQFWETISA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@H](C(=O)[O-])C1 ZINC001590275646 1283402604 /nfs/dbraw/zinc/40/26/04/1283402604.db2.gz FHHZHFSYQLVCRC-KWQFWETISA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1CC(=O)[O-] ZINC001590275742 1283403572 /nfs/dbraw/zinc/40/35/72/1283403572.db2.gz FZPLWQKFYKFJNH-CMPLNLGQSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1CC(=O)[O-] ZINC001590275742 1283403578 /nfs/dbraw/zinc/40/35/78/1283403578.db2.gz FZPLWQKFYKFJNH-CMPLNLGQSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C[C@@H]1C(=O)[O-] ZINC001590276934 1283404662 /nfs/dbraw/zinc/40/46/62/1283404662.db2.gz RPIKWKPMFCKHMM-UFBFGSQYSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C[C@@H]1C(=O)[O-] ZINC001590276934 1283404664 /nfs/dbraw/zinc/40/46/64/1283404664.db2.gz RPIKWKPMFCKHMM-UFBFGSQYSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC[C@@H]1C(=O)[O-] ZINC001590309156 1283453602 /nfs/dbraw/zinc/45/36/02/1283453602.db2.gz KFUUXCZBQNJRLS-PWSUYJOCSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC[C@@H]1C(=O)[O-] ZINC001590309156 1283453609 /nfs/dbraw/zinc/45/36/09/1283453609.db2.gz KFUUXCZBQNJRLS-PWSUYJOCSA-N -2 3 365.415 0.739 20 0 FCADHL CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604417384 1287642405 /nfs/dbraw/zinc/64/24/05/1287642405.db2.gz MYSGWBZELWFUNH-VXGBXAGGSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604417384 1287642408 /nfs/dbraw/zinc/64/24/08/1287642408.db2.gz MYSGWBZELWFUNH-VXGBXAGGSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC[C@H]1C(=O)[O-] ZINC001590312053 1283456474 /nfs/dbraw/zinc/45/64/74/1283456474.db2.gz GYBOQKSOVYNIQS-PSASIEDQSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590324697 1283467724 /nfs/dbraw/zinc/46/77/24/1283467724.db2.gz PWHDBDCSFANJTH-GWCFXTLKSA-N -2 3 365.415 0.485 20 0 FCADHL C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590324697 1283467731 /nfs/dbraw/zinc/46/77/31/1283467731.db2.gz PWHDBDCSFANJTH-GWCFXTLKSA-N -2 3 365.415 0.485 20 0 FCADHL CC[C@](C)(CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001590382227 1283509582 /nfs/dbraw/zinc/50/95/82/1283509582.db2.gz QHLKYTUJLHUQFH-CQSZACIVSA-N -2 3 371.394 0.926 20 0 FCADHL CCC(C)(C)[C@@H](NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590372995 1283510188 /nfs/dbraw/zinc/51/01/88/1283510188.db2.gz JXCOAWRTDXGBNZ-JTQLQIEISA-N -2 3 354.392 0.429 20 0 FCADHL CCC(C)(C)[C@@H](NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590372995 1283510198 /nfs/dbraw/zinc/51/01/98/1283510198.db2.gz JXCOAWRTDXGBNZ-JTQLQIEISA-N -2 3 354.392 0.429 20 0 FCADHL CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590396674 1283522595 /nfs/dbraw/zinc/52/25/95/1283522595.db2.gz NOBJLQTTXAEQKN-BXKDBHETSA-N -2 3 353.404 0.987 20 0 FCADHL CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590396674 1283522600 /nfs/dbraw/zinc/52/26/00/1283522600.db2.gz NOBJLQTTXAEQKN-BXKDBHETSA-N -2 3 353.404 0.987 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C(=O)[O-] ZINC001590446860 1283542657 /nfs/dbraw/zinc/54/26/57/1283542657.db2.gz OLCRSGXJVHZXSP-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL CC[C@@]1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001590497587 1283567784 /nfs/dbraw/zinc/56/77/84/1283567784.db2.gz UAUOFAOVVCUNIN-CYBMUJFWSA-N -2 3 359.358 0.992 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590499750 1283568690 /nfs/dbraw/zinc/56/86/90/1283568690.db2.gz MJOWMEYAFJKAIG-NEPJUHHUSA-N -2 3 369.378 0.880 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590499750 1283568694 /nfs/dbraw/zinc/56/86/94/1283568694.db2.gz MJOWMEYAFJKAIG-NEPJUHHUSA-N -2 3 369.378 0.880 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590506317 1283575406 /nfs/dbraw/zinc/57/54/06/1283575406.db2.gz ZOOMRVNEXGSEIF-MWLCHTKSSA-N -2 3 352.376 0.278 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590506317 1283575412 /nfs/dbraw/zinc/57/54/12/1283575412.db2.gz ZOOMRVNEXGSEIF-MWLCHTKSSA-N -2 3 352.376 0.278 20 0 FCADHL CCC[C@H](O)[C@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC001590561081 1283604718 /nfs/dbraw/zinc/60/47/18/1283604718.db2.gz VCKMXLKJVWFTGJ-CABZTGNLSA-N -2 3 369.403 0.068 20 0 FCADHL CCC[C@H](O)[C@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC001590561081 1283604733 /nfs/dbraw/zinc/60/47/33/1283604733.db2.gz VCKMXLKJVWFTGJ-CABZTGNLSA-N -2 3 369.403 0.068 20 0 FCADHL CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590612199 1283647900 /nfs/dbraw/zinc/64/79/00/1283647900.db2.gz XSSNTQZTRQHMLY-SECBINFHSA-N -2 3 370.460 0.988 20 0 FCADHL CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590612199 1283647918 /nfs/dbraw/zinc/64/79/18/1283647918.db2.gz XSSNTQZTRQHMLY-SECBINFHSA-N -2 3 370.460 0.988 20 0 FCADHL CCCCOc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c([O-])c1 ZINC001590613498 1283649014 /nfs/dbraw/zinc/64/90/14/1283649014.db2.gz UDPFOVXECFXASI-UHFFFAOYSA-N -2 3 372.389 0.773 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001590677425 1283725497 /nfs/dbraw/zinc/72/54/97/1283725497.db2.gz YKJNVDWUGFIIEM-MRVPVSSYSA-N -2 3 357.367 0.880 20 0 FCADHL CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590789886 1283846415 /nfs/dbraw/zinc/84/64/15/1283846415.db2.gz DBTWNOJFRGYQJE-VXGBXAGGSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590789886 1283846422 /nfs/dbraw/zinc/84/64/22/1283846422.db2.gz DBTWNOJFRGYQJE-VXGBXAGGSA-N -2 3 351.388 0.238 20 0 FCADHL CCOc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)co1 ZINC001590843998 1283914714 /nfs/dbraw/zinc/91/47/14/1283914714.db2.gz OASANVVNYRHIPC-UHFFFAOYSA-N -2 3 364.343 0.372 20 0 FCADHL CCOc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)co1 ZINC001590843998 1283914722 /nfs/dbraw/zinc/91/47/22/1283914722.db2.gz OASANVVNYRHIPC-UHFFFAOYSA-N -2 3 364.343 0.372 20 0 FCADHL CCc1cncc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001590900933 1283955141 /nfs/dbraw/zinc/95/51/41/1283955141.db2.gz IMUDWLJJMNGRGM-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CCc1cncc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001590900933 1283955151 /nfs/dbraw/zinc/95/51/51/1283955151.db2.gz IMUDWLJJMNGRGM-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)o1 ZINC001590911744 1283963265 /nfs/dbraw/zinc/96/32/65/1283963265.db2.gz KAALOLSBKYISNY-UHFFFAOYSA-N -2 3 363.359 0.239 20 0 FCADHL CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)o1 ZINC001590911744 1283963269 /nfs/dbraw/zinc/96/32/69/1283963269.db2.gz KAALOLSBKYISNY-UHFFFAOYSA-N -2 3 363.359 0.239 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001590965518 1284021512 /nfs/dbraw/zinc/02/15/12/1284021512.db2.gz FDGXWMXTZNLAJG-UHFFFAOYSA-N -2 3 373.349 0.346 20 0 FCADHL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001591004652 1284068333 /nfs/dbraw/zinc/06/83/33/1284068333.db2.gz FRFWWUKSBFAWJY-UHFFFAOYSA-N -2 3 362.375 0.092 20 0 FCADHL CN(C1CC1)S(=O)(=O)N(CC(=O)[O-])Cc1cccc(-c2nn[n-]n2)c1 ZINC001591038022 1284097004 /nfs/dbraw/zinc/09/70/04/1284097004.db2.gz GVEFVHPORQTFKH-UHFFFAOYSA-N -2 3 366.403 0.092 20 0 FCADHL CN(Cc1ccc(-c2nnn[n-]2)cc1)c1nnc(-c2cc(=O)n(C)[n-]2)n1C ZINC001591136574 1284207167 /nfs/dbraw/zinc/20/71/67/1284207167.db2.gz FFUTYDBMWWMQOM-UHFFFAOYSA-N -2 3 366.389 0.738 20 0 FCADHL CN(Cc1ccc(-c2nn[n-]n2)cc1)c1nnc(-c2cc(=O)n(C)[n-]2)n1C ZINC001591136574 1284207179 /nfs/dbraw/zinc/20/71/79/1284207179.db2.gz FFUTYDBMWWMQOM-UHFFFAOYSA-N -2 3 366.389 0.738 20 0 FCADHL CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[n-]n2c1nccc2=O ZINC001591144163 1284214611 /nfs/dbraw/zinc/21/46/11/1284214611.db2.gz KWASDDSXFBFQMS-UHFFFAOYSA-N -2 3 350.342 0.475 20 0 FCADHL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[n-]n2c1nccc2=O ZINC001591144163 1284214618 /nfs/dbraw/zinc/21/46/18/1284214618.db2.gz KWASDDSXFBFQMS-UHFFFAOYSA-N -2 3 350.342 0.475 20 0 FCADHL Cn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC001591196144 1284315755 /nfs/dbraw/zinc/31/57/55/1284315755.db2.gz MCJZDKCUSGDPMN-UHFFFAOYSA-N -2 3 374.430 0.389 20 0 FCADHL Cn1ncc(-c2nn[n-]n2)c1[N-]S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC001591196144 1284315764 /nfs/dbraw/zinc/31/57/64/1284315764.db2.gz MCJZDKCUSGDPMN-UHFFFAOYSA-N -2 3 374.430 0.389 20 0 FCADHL CN1CCc2c(cccc2S(=O)(=O)[N-]c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591195898 1284317026 /nfs/dbraw/zinc/31/70/26/1284317026.db2.gz CEGDOJZMKNMNNT-UHFFFAOYSA-N -2 3 371.426 0.472 20 0 FCADHL CO[C@@](C)(C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C1CC1 ZINC001591313599 1284463269 /nfs/dbraw/zinc/46/32/69/1284463269.db2.gz CDDJFSMNLBNVND-OAHLLOKOSA-N -2 3 365.415 0.795 20 0 FCADHL CO[C@@](C)(C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C1CC1 ZINC001591313599 1284463274 /nfs/dbraw/zinc/46/32/74/1284463274.db2.gz CDDJFSMNLBNVND-OAHLLOKOSA-N -2 3 365.415 0.795 20 0 FCADHL CO[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001591352908 1284488424 /nfs/dbraw/zinc/48/84/24/1284488424.db2.gz CUSIGIHKDLGPFQ-GXSJLCMTSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001591352908 1284488429 /nfs/dbraw/zinc/48/84/29/1284488429.db2.gz CUSIGIHKDLGPFQ-GXSJLCMTSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001591363115 1284499713 /nfs/dbraw/zinc/49/97/13/1284499713.db2.gz SRHZKEFWMNQROW-BLLLJJGKSA-N -2 3 361.358 0.336 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001591390633 1284529266 /nfs/dbraw/zinc/52/92/66/1284529266.db2.gz LFOCOJUPQYWSJN-UHFFFAOYSA-N -2 3 371.806 0.759 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001591390633 1284529274 /nfs/dbraw/zinc/52/92/74/1284529274.db2.gz LFOCOJUPQYWSJN-UHFFFAOYSA-N -2 3 371.806 0.759 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001591565109 1284739155 /nfs/dbraw/zinc/73/91/55/1284739155.db2.gz IFMQRDKBBQPDOK-VHSXEESVSA-N -2 3 374.357 0.183 20 0 FCADHL CSCCO[N-]C(=O)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591701287 1284838982 /nfs/dbraw/zinc/83/89/82/1284838982.db2.gz LJSLJURGWAPVJE-UHFFFAOYSA-N -2 3 354.367 0.033 20 0 FCADHL CSCCO[N-]C(=O)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591701287 1284838994 /nfs/dbraw/zinc/83/89/94/1284838994.db2.gz LJSLJURGWAPVJE-UHFFFAOYSA-N -2 3 354.367 0.033 20 0 FCADHL CSCC[C@H](NC(N)=O)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001591701321 1284842889 /nfs/dbraw/zinc/84/28/89/1284842889.db2.gz LRFJCVLQOYTHHC-JTQLQIEISA-N -2 3 351.392 0.067 20 0 FCADHL CSCC[C@H](NC(N)=O)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001591701321 1284842895 /nfs/dbraw/zinc/84/28/95/1284842895.db2.gz LRFJCVLQOYTHHC-JTQLQIEISA-N -2 3 351.392 0.067 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001591874180 1284962323 /nfs/dbraw/zinc/96/23/23/1284962323.db2.gz XNMZWHYFVFSMQD-MWLCHTKSSA-N -2 3 351.388 0.801 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001591874180 1284962331 /nfs/dbraw/zinc/96/23/31/1284962331.db2.gz XNMZWHYFVFSMQD-MWLCHTKSSA-N -2 3 351.388 0.801 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001591875577 1284965580 /nfs/dbraw/zinc/96/55/80/1284965580.db2.gz GOUFVTKVRIUYJQ-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001591875577 1284965592 /nfs/dbraw/zinc/96/55/92/1284965592.db2.gz GOUFVTKVRIUYJQ-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C)n1C ZINC001591929890 1285015312 /nfs/dbraw/zinc/01/53/12/1285015312.db2.gz QNCIIECYTABHJC-UHFFFAOYSA-N -2 3 360.399 0.941 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C)n1C ZINC001591929890 1285015319 /nfs/dbraw/zinc/01/53/19/1285015319.db2.gz QNCIIECYTABHJC-UHFFFAOYSA-N -2 3 360.399 0.941 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1 ZINC001592111093 1285146661 /nfs/dbraw/zinc/14/66/61/1285146661.db2.gz RDDDPOQXKWRWKA-UHFFFAOYSA-N -2 3 373.398 0.825 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1 ZINC001592111093 1285146675 /nfs/dbraw/zinc/14/66/75/1285146675.db2.gz RDDDPOQXKWRWKA-UHFFFAOYSA-N -2 3 373.398 0.825 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c(F)c1 ZINC001592127946 1285156078 /nfs/dbraw/zinc/15/60/78/1285156078.db2.gz CUQIVBVAYSLEIX-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c(F)c1 ZINC001592127946 1285156092 /nfs/dbraw/zinc/15/60/92/1285156092.db2.gz CUQIVBVAYSLEIX-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1S(N)(=O)=O ZINC001592182655 1285171266 /nfs/dbraw/zinc/17/12/66/1285171266.db2.gz PXQXWGXPAOYYET-UHFFFAOYSA-N -2 3 374.382 0.780 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c1-c1nnn[n-]1 ZINC001592234670 1285193169 /nfs/dbraw/zinc/19/31/69/1285193169.db2.gz BCQMQAQIEXAFNQ-UHFFFAOYSA-N -2 3 358.358 0.485 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c1-c1nn[n-]n1 ZINC001592234670 1285193176 /nfs/dbraw/zinc/19/31/76/1285193176.db2.gz BCQMQAQIEXAFNQ-UHFFFAOYSA-N -2 3 358.358 0.485 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001592239180 1285195564 /nfs/dbraw/zinc/19/55/64/1285195564.db2.gz IBBLTPGWOCTWDS-CQSZACIVSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001592239180 1285195568 /nfs/dbraw/zinc/19/55/68/1285195568.db2.gz IBBLTPGWOCTWDS-CQSZACIVSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)o1 ZINC001592355890 1285269468 /nfs/dbraw/zinc/26/94/68/1285269468.db2.gz ZPHSERLFWRWKKZ-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)o1 ZINC001592355890 1285269473 /nfs/dbraw/zinc/26/94/73/1285269473.db2.gz ZPHSERLFWRWKKZ-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC3(CCC3)[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592412117 1285326354 /nfs/dbraw/zinc/32/63/54/1285326354.db2.gz NXFMKRDNYYIYTA-NSHDSACASA-N -2 3 364.387 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC3(CCC3)[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592412117 1285326364 /nfs/dbraw/zinc/32/63/64/1285326364.db2.gz NXFMKRDNYYIYTA-NSHDSACASA-N -2 3 364.387 0.198 20 0 FCADHL Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001592436374 1285369575 /nfs/dbraw/zinc/36/95/75/1285369575.db2.gz YMZWIPRNKQTGSL-BQYQJAHWSA-N -2 3 373.398 0.427 20 0 FCADHL Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001592436374 1285369580 /nfs/dbraw/zinc/36/95/80/1285369580.db2.gz YMZWIPRNKQTGSL-BQYQJAHWSA-N -2 3 373.398 0.427 20 0 FCADHL Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592457995 1285397420 /nfs/dbraw/zinc/39/74/20/1285397420.db2.gz QBIKQZGUBYVUOY-UHFFFAOYSA-N -2 3 362.371 0.519 20 0 FCADHL Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592457995 1285397433 /nfs/dbraw/zinc/39/74/33/1285397433.db2.gz QBIKQZGUBYVUOY-UHFFFAOYSA-N -2 3 362.371 0.519 20 0 FCADHL Cn1cc(-c2nn(C)cc2NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cn1 ZINC001592557985 1285468949 /nfs/dbraw/zinc/46/89/49/1285468949.db2.gz JKEJMHVOKFWSAG-UHFFFAOYSA-N -2 3 365.357 0.959 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)n1 ZINC001592560175 1285472431 /nfs/dbraw/zinc/47/24/31/1285472431.db2.gz QFHMSFWWPSDOAP-VIFPVBQESA-N -2 3 366.234 0.926 20 0 FCADHL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001592570328 1285485169 /nfs/dbraw/zinc/48/51/69/1285485169.db2.gz PWCJXXCTIZMWHK-WDEREUQCSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001592570328 1285485174 /nfs/dbraw/zinc/48/51/74/1285485174.db2.gz PWCJXXCTIZMWHK-WDEREUQCSA-N -2 3 354.374 0.690 20 0 FCADHL NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001592731440 1285642502 /nfs/dbraw/zinc/64/25/02/1285642502.db2.gz DNQHAKRAPVNOBM-UHFFFAOYSA-N -2 3 374.386 0.231 20 0 FCADHL NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001592731440 1285642509 /nfs/dbraw/zinc/64/25/09/1285642509.db2.gz DNQHAKRAPVNOBM-UHFFFAOYSA-N -2 3 374.386 0.231 20 0 FCADHL CCc1noc(C)c1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609256220 1289022654 /nfs/dbraw/zinc/02/26/54/1289022654.db2.gz RBNHPVHAWZANBY-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL CCc1noc(C)c1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609256220 1289022664 /nfs/dbraw/zinc/02/26/64/1289022664.db2.gz RBNHPVHAWZANBY-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C1(Cl)CC1 ZINC001592891302 1285797410 /nfs/dbraw/zinc/79/74/10/1285797410.db2.gz GIJRPFHWXMKJOO-UHFFFAOYSA-N -2 3 357.779 0.420 20 0 FCADHL O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001592954459 1285842075 /nfs/dbraw/zinc/84/20/75/1285842075.db2.gz NZBKYNDENKNGGI-LBPRGKRZSA-N -2 3 365.357 0.732 20 0 FCADHL O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001592954459 1285842086 /nfs/dbraw/zinc/84/20/86/1285842086.db2.gz NZBKYNDENKNGGI-LBPRGKRZSA-N -2 3 365.357 0.732 20 0 FCADHL CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001609271767 1289035058 /nfs/dbraw/zinc/03/50/58/1289035058.db2.gz UURAQTOOBBLSFL-UHFFFAOYSA-N -2 3 357.367 0.737 20 0 FCADHL CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001609271767 1289035063 /nfs/dbraw/zinc/03/50/63/1289035063.db2.gz UURAQTOOBBLSFL-UHFFFAOYSA-N -2 3 357.367 0.737 20 0 FCADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001593153725 1286024340 /nfs/dbraw/zinc/02/43/40/1286024340.db2.gz RUYILMDQRKTOIK-UHFFFAOYSA-N -2 3 373.348 0.905 20 0 FCADHL O=C([N-]O[C@H]1CCCCO1)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593167553 1286025970 /nfs/dbraw/zinc/02/59/70/1286025970.db2.gz UCPPWMOHFLTJJE-WFASDCNBSA-N -2 3 372.385 0.794 20 0 FCADHL O=C([N-]O[C@@H]1CCCCO1)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593166295 1286026062 /nfs/dbraw/zinc/02/60/62/1286026062.db2.gz GXRRJVPIYKKNAM-LLVKDONJSA-N -2 3 350.310 0.519 20 0 FCADHL O=C([N-]O[C@@H]1CCCCO1)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593166295 1286026064 /nfs/dbraw/zinc/02/60/64/1286026064.db2.gz GXRRJVPIYKKNAM-LLVKDONJSA-N -2 3 350.310 0.519 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001593273380 1286057046 /nfs/dbraw/zinc/05/70/46/1286057046.db2.gz FZJVGVQFQAVPSY-VIFPVBQESA-N -2 3 355.351 0.242 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001593273380 1286057051 /nfs/dbraw/zinc/05/70/51/1286057051.db2.gz FZJVGVQFQAVPSY-VIFPVBQESA-N -2 3 355.351 0.242 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001593275171 1286058140 /nfs/dbraw/zinc/05/81/40/1286058140.db2.gz UFQDUUJYRXRKDN-JTQLQIEISA-N -2 3 357.374 0.164 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001593275171 1286058143 /nfs/dbraw/zinc/05/81/43/1286058143.db2.gz UFQDUUJYRXRKDN-JTQLQIEISA-N -2 3 357.374 0.164 20 0 FCADHL O=C([O-])[C@H](C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1)C1CC1 ZINC001593276091 1286059581 /nfs/dbraw/zinc/05/95/81/1286059581.db2.gz KUYUGUXDIRDUHE-NSHDSACASA-N -2 3 362.415 0.688 20 0 FCADHL O=C([O-])[C@@H](CCF)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593276587 1286059761 /nfs/dbraw/zinc/05/97/61/1286059761.db2.gz PFCFRTRDIUTUEF-SNVBAGLBSA-N -2 3 361.330 0.238 20 0 FCADHL O=C([O-])CSCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001593278353 1286059967 /nfs/dbraw/zinc/05/99/67/1286059967.db2.gz AIAQWYZSLVSTES-UHFFFAOYSA-N -2 3 361.380 0.102 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC12CCCC2 ZINC001593276685 1286059978 /nfs/dbraw/zinc/05/99/78/1286059978.db2.gz NSJSZKOTFLBQQR-LBPRGKRZSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC12CCCC2 ZINC001593276685 1286059985 /nfs/dbraw/zinc/05/99/85/1286059985.db2.gz NSJSZKOTFLBQQR-LBPRGKRZSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])CC[C@H]1CCCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001593278017 1286060861 /nfs/dbraw/zinc/06/08/61/1286060861.db2.gz NIFDKCFYMNKTGK-SNVBAGLBSA-N -2 3 366.403 0.527 20 0 FCADHL O=C([O-])CC[C@H]1CCCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001593278017 1286060863 /nfs/dbraw/zinc/06/08/63/1286060863.db2.gz NIFDKCFYMNKTGK-SNVBAGLBSA-N -2 3 366.403 0.527 20 0 FCADHL O=C([O-])CCN(C1CC1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593278750 1286061635 /nfs/dbraw/zinc/06/16/35/1286061635.db2.gz WPJBBVOPJHQHED-UHFFFAOYSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])CN(Cc1ccccn1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001593278391 1286062121 /nfs/dbraw/zinc/06/21/21/1286062121.db2.gz BULXPSKDOQWOQE-UHFFFAOYSA-N -2 3 374.382 0.537 20 0 FCADHL O=C([O-])CN(Cc1ccccn1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001593278391 1286062122 /nfs/dbraw/zinc/06/21/22/1286062122.db2.gz BULXPSKDOQWOQE-UHFFFAOYSA-N -2 3 374.382 0.537 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC001593279373 1286063372 /nfs/dbraw/zinc/06/33/72/1286063372.db2.gz HVYGZMYRTOBRST-QWHCGFSZSA-N -2 3 371.401 0.411 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC001593279373 1286063373 /nfs/dbraw/zinc/06/33/73/1286063373.db2.gz HVYGZMYRTOBRST-QWHCGFSZSA-N -2 3 371.401 0.411 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCC(=O)C1 ZINC001593387996 1286108107 /nfs/dbraw/zinc/10/81/07/1286108107.db2.gz CWOXMLOJXGEEMM-SECBINFHSA-N -2 3 367.362 0.321 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCC(=O)C1 ZINC001593387996 1286108110 /nfs/dbraw/zinc/10/81/10/1286108110.db2.gz CWOXMLOJXGEEMM-SECBINFHSA-N -2 3 367.362 0.321 20 0 FCADHL O=C1CCc2cc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)ccc2N1 ZINC001593397530 1286116658 /nfs/dbraw/zinc/11/66/58/1286116658.db2.gz ZNAOWYCVXNUELA-UHFFFAOYSA-N -2 3 371.382 0.947 20 0 FCADHL O=C1CCc2cc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)ccc2N1 ZINC001593397530 1286116663 /nfs/dbraw/zinc/11/66/63/1286116663.db2.gz 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O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)O1 ZINC001602176105 1286958496 /nfs/dbraw/zinc/95/84/96/1286958496.db2.gz QRIAOLSGMVLOOH-BBBLOLIVSA-N -2 3 352.309 0.536 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001602488512 1287011240 /nfs/dbraw/zinc/01/12/40/1287011240.db2.gz IQWOJCJXETVUJW-NWDGAFQWSA-N -2 3 359.400 0.966 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC1CCN(CC(F)(F)F)CC1 ZINC001602506983 1287018833 /nfs/dbraw/zinc/01/88/33/1287018833.db2.gz WGWOGUYBIBIJMK-UHFFFAOYSA-N -2 3 370.353 0.661 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H]1CCCN1CC(F)F ZINC001602589294 1287033177 /nfs/dbraw/zinc/03/31/77/1287033177.db2.gz YBJOVPPZZAQUKX-ZETCQYMHSA-N -2 3 355.388 0.849 20 0 FCADHL O=C([O-])[C@@]1(N2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)CCOC1 ZINC001602624811 1287038262 /nfs/dbraw/zinc/03/82/62/1287038262.db2.gz KTEILOBVFHUKSO-QGZVFWFLSA-N -2 3 362.386 0.061 20 0 FCADHL O=C([O-])C(F)=C(Nc1ccc2c(c1)OCO2)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602656689 1287051919 /nfs/dbraw/zinc/05/19/19/1287051919.db2.gz RUNIGBYLQQNPNR-SECBINFHSA-N -3 3 367.314 0.035 20 0 FCADHL O=C([O-])C(F)=C(NCCc1ccc(F)cc1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602655857 1287052643 /nfs/dbraw/zinc/05/26/43/1287052643.db2.gz ISHWLCPGULFJAU-SNVBAGLBSA-N -3 3 369.349 0.166 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001609389171 1289133003 /nfs/dbraw/zinc/13/30/03/1289133003.db2.gz QYXSWGPOGUHNGH-JOYOIKCWSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001609389171 1289133008 /nfs/dbraw/zinc/13/30/08/1289133008.db2.gz QYXSWGPOGUHNGH-JOYOIKCWSA-N -2 3 365.415 0.906 20 0 FCADHL CNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1 ZINC001604896665 1287810163 /nfs/dbraw/zinc/81/01/63/1287810163.db2.gz GTVPGOLNTNBNEQ-UHFFFAOYSA-N -2 3 374.382 0.733 20 0 FCADHL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccn2)c1 ZINC001604946538 1287818269 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1287961568 /nfs/dbraw/zinc/96/15/68/1287961568.db2.gz CDLKEUXQCNBFNJ-JTQLQIEISA-N -2 3 358.383 0.870 20 0 FCADHL CCOC(=O)CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCOCC1 ZINC001605534488 1287991826 /nfs/dbraw/zinc/99/18/26/1287991826.db2.gz BLJJEFKDLQPMKW-UHFFFAOYSA-N -2 3 361.372 0.759 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC001605552712 1287999371 /nfs/dbraw/zinc/99/93/71/1287999371.db2.gz SJOAJOFZECZHEF-SCVCMEIPSA-N -2 3 362.415 0.818 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC001605552712 1287999373 /nfs/dbraw/zinc/99/93/73/1287999373.db2.gz SJOAJOFZECZHEF-SCVCMEIPSA-N -2 3 362.415 0.818 20 0 FCADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)n1 ZINC001609430481 1289147364 /nfs/dbraw/zinc/14/73/64/1289147364.db2.gz XKGCITVWMRVUPA-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)n1 ZINC001609430481 1289147366 /nfs/dbraw/zinc/14/73/66/1289147366.db2.gz XKGCITVWMRVUPA-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001609456244 1289161646 /nfs/dbraw/zinc/16/16/46/1289161646.db2.gz HPJBUHLMKRZZDZ-RISCZKNCSA-N -2 3 366.403 0.492 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001609456244 1289161648 /nfs/dbraw/zinc/16/16/48/1289161648.db2.gz HPJBUHLMKRZZDZ-RISCZKNCSA-N -2 3 366.403 0.492 20 0 FCADHL Cc1nscc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001606163717 1288195581 /nfs/dbraw/zinc/19/55/81/1288195581.db2.gz NPYXLBFGRRFQGH-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1nscc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001606163717 1288195585 /nfs/dbraw/zinc/19/55/85/1288195585.db2.gz NPYXLBFGRRFQGH-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)c(C)o1 ZINC001606303774 1288259767 /nfs/dbraw/zinc/25/97/67/1288259767.db2.gz XABUFQYRZIYARB-LBPRGKRZSA-N -2 3 353.356 0.447 20 0 FCADHL COC(=O)[C@H]1CCN(C(=O)c2cc(OC)c([O-])c(OC)c2)[C@H](C(=O)[O-])C1 ZINC001606408112 1288293544 /nfs/dbraw/zinc/29/35/44/1288293544.db2.gz VDYPNBVXJJXTNK-ONGXEEELSA-N -2 3 367.354 0.888 20 0 FCADHL COC(=O)C[C@@]1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCOC1 ZINC001606446837 1288322627 /nfs/dbraw/zinc/32/26/27/1288322627.db2.gz OCUZMRCOQYEGIP-LBPRGKRZSA-N -2 3 364.401 0.232 20 0 FCADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cc(Cl)c1=O ZINC001609479585 1289172708 /nfs/dbraw/zinc/17/27/08/1289172708.db2.gz BBXPOBRDWSYHDZ-UHFFFAOYSA-N -2 3 356.751 0.613 20 0 FCADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc(Cl)c1=O ZINC001609479585 1289172714 /nfs/dbraw/zinc/17/27/14/1289172714.db2.gz BBXPOBRDWSYHDZ-UHFFFAOYSA-N -2 3 356.751 0.613 20 0 FCADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001606532103 1288367368 /nfs/dbraw/zinc/36/73/68/1288367368.db2.gz HFZYGAWNMRGTJC-AZTOOPQRSA-N -2 3 354.315 0.405 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001606593781 1288400361 /nfs/dbraw/zinc/40/03/61/1288400361.db2.gz TYOJSOIAUFTHAV-UHFFFAOYSA-N -2 3 363.341 0.729 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001606593781 1288400364 /nfs/dbraw/zinc/40/03/64/1288400364.db2.gz TYOJSOIAUFTHAV-UHFFFAOYSA-N -2 3 363.341 0.729 20 0 FCADHL COC(=O)c1sc2[n-]c(CN3CCCC3)nc(=O)c2c1CC(=O)[O-] ZINC001606643678 1288421645 /nfs/dbraw/zinc/42/16/45/1288421645.db2.gz CUMJBQOJQUACPO-UHFFFAOYSA-N -2 3 351.384 0.994 20 0 FCADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)[O-])C1CC1 ZINC001606667844 1288429952 /nfs/dbraw/zinc/42/99/52/1288429952.db2.gz CPPGZUABSYSAFP-GHMZBOCLSA-N -3 3 361.372 0.833 20 0 FCADHL O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001606737539 1288478515 /nfs/dbraw/zinc/47/85/15/1288478515.db2.gz AEIRIAPNPILHDB-SNVBAGLBSA-N -2 3 367.373 0.014 20 0 FCADHL O=C(NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001606737539 1288478519 /nfs/dbraw/zinc/47/85/19/1288478519.db2.gz AEIRIAPNPILHDB-SNVBAGLBSA-N -2 3 367.373 0.014 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606863728 1288541960 /nfs/dbraw/zinc/54/19/60/1288541960.db2.gz NWBRUAHHWFKCOF-SNVBAGLBSA-N -2 3 351.388 0.353 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001606863728 1288541968 /nfs/dbraw/zinc/54/19/68/1288541968.db2.gz NWBRUAHHWFKCOF-SNVBAGLBSA-N -2 3 351.388 0.353 20 0 FCADHL O=C([O-])[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)CC1CC1 ZINC001606960988 1288576779 /nfs/dbraw/zinc/57/67/79/1288576779.db2.gz WLNWHOSOEQKLSY-LLVKDONJSA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)CC1CC1 ZINC001606960988 1288576782 /nfs/dbraw/zinc/57/67/82/1288576782.db2.gz WLNWHOSOEQKLSY-LLVKDONJSA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])CC1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001606961926 1288577621 /nfs/dbraw/zinc/57/76/21/1288577621.db2.gz ZUKOBUOCPGARIG-UHFFFAOYSA-N -2 3 365.415 0.883 20 0 FCADHL O=C([O-])CC1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001606961926 1288577623 /nfs/dbraw/zinc/57/76/23/1288577623.db2.gz ZUKOBUOCPGARIG-UHFFFAOYSA-N -2 3 365.415 0.883 20 0 FCADHL O=C(c1ccccc1[O-])N1CC[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001607023875 1288595371 /nfs/dbraw/zinc/59/53/71/1288595371.db2.gz MZRCEPJVDRBTCY-LLVKDONJSA-N -2 3 366.385 0.358 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001607034032 1288604903 /nfs/dbraw/zinc/60/49/03/1288604903.db2.gz QTHFQBIBWUIJDE-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001607034032 1288604905 /nfs/dbraw/zinc/60/49/05/1288604905.db2.gz QTHFQBIBWUIJDE-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL O=c1cc(-c2cccc(-c3nn[n-]n3)c2)[n-]n1[C@@H]1CCCS(=O)(=O)C1 ZINC001607040993 1288611466 /nfs/dbraw/zinc/61/14/66/1288611466.db2.gz RLHYEIJZITURPI-GFCCVEGCSA-N -2 3 360.399 0.380 20 0 FCADHL O=C1NCc2cccc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)c21 ZINC001607053581 1288624340 /nfs/dbraw/zinc/62/43/40/1288624340.db2.gz ZHMUCXRAWHUNDK-UHFFFAOYSA-N -2 3 356.367 0.911 20 0 FCADHL O=C1NCc2cccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)c21 ZINC001607053581 1288624344 /nfs/dbraw/zinc/62/43/44/1288624344.db2.gz ZHMUCXRAWHUNDK-UHFFFAOYSA-N -2 3 356.367 0.911 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001607056065 1288626760 /nfs/dbraw/zinc/62/67/60/1288626760.db2.gz KMJAAWTWQQKBCR-UHFFFAOYSA-N -2 3 374.357 0.855 20 0 FCADHL O=S(=O)([N-][C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F)C1COC1 ZINC001607062552 1288634837 /nfs/dbraw/zinc/63/48/37/1288634837.db2.gz KESZGHQAWCBJSH-SNVBAGLBSA-N -2 3 363.321 0.788 20 0 FCADHL O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1cncc(-c2nnn[n-]2)c1 ZINC001607069132 1288641347 /nfs/dbraw/zinc/64/13/47/1288641347.db2.gz ZCGIWUJXWXZGLX-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1cncc(-c2nn[n-]n2)c1 ZINC001607069132 1288641348 /nfs/dbraw/zinc/64/13/48/1288641348.db2.gz ZCGIWUJXWXZGLX-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC001607225228 1288687544 /nfs/dbraw/zinc/68/75/44/1288687544.db2.gz WKCSZBIDOCTFPT-NSHDSACASA-N -2 3 369.399 0.479 20 0 FCADHL COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001607337715 1288699271 /nfs/dbraw/zinc/69/92/71/1288699271.db2.gz AYNHVVMABSSTAK-VIFPVBQESA-N -2 3 358.397 0.862 20 0 FCADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)NCCOCC(=O)[O-] ZINC001607376259 1288702146 /nfs/dbraw/zinc/70/21/46/1288702146.db2.gz VDXHBNOBBPQRMY-UHFFFAOYSA-N -2 3 363.367 0.098 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CCC2CCS(=O)(=O)CC2)oc1C(=O)[O-] ZINC001607708039 1288735726 /nfs/dbraw/zinc/73/57/26/1288735726.db2.gz ZWGCQFFYWUQPSG-UHFFFAOYSA-N -2 3 365.429 0.779 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCc3cc(O)ccc3C2)c1C(=O)[O-] ZINC001607939593 1288749778 /nfs/dbraw/zinc/74/97/78/1288749778.db2.gz CPQTYCHPTHPGBY-LLVKDONJSA-N -2 3 351.384 0.958 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c1C(=O)[O-] ZINC001607939286 1288750210 /nfs/dbraw/zinc/75/02/10/1288750210.db2.gz AZDKTASIAPOPNM-NOZJJQNGSA-N -2 3 361.445 0.749 20 0 FCADHL Cc1nc(C)c(CC(=O)OCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)[n-]1 ZINC001607947464 1288751098 /nfs/dbraw/zinc/75/10/98/1288751098.db2.gz NMLKZMUIMGCMFS-GFCCVEGCSA-N -2 3 353.375 0.500 20 0 FCADHL Cc1nc(C)c(CC(=O)N2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c(=O)[n-]1 ZINC001607947554 1288751293 /nfs/dbraw/zinc/75/12/93/1288751293.db2.gz PMARUKGTERWXQB-UHFFFAOYSA-N -2 3 363.414 0.950 20 0 FCADHL Cn1c2cc([O-])c(NC(=O)Cc3ccc(C(=O)[O-])nc3)cc2n(C)c1=O ZINC001608077771 1288765765 /nfs/dbraw/zinc/76/57/65/1288765765.db2.gz IIUVTSURNIVOCK-UHFFFAOYSA-N -2 3 356.338 0.857 20 0 FCADHL Cn1cc([C@H]2C[C@@H]([N-]S(=O)(=O)c3occc3C(=O)[O-])CCO2)cn1 ZINC001608108071 1288769469 /nfs/dbraw/zinc/76/94/69/1288769469.db2.gz WBHUCYWIPCUICX-CMPLNLGQSA-N -2 3 355.372 0.910 20 0 FCADHL Cn1cnnc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001608138295 1288779025 /nfs/dbraw/zinc/77/90/25/1288779025.db2.gz FOFCBQNMTBLGMA-JTQLQIEISA-N -2 3 360.779 0.179 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC(=O)OCc1ccccc1 ZINC001608339705 1288825212 /nfs/dbraw/zinc/82/52/12/1288825212.db2.gz FSJPVZVTLMFPCA-UHFFFAOYSA-N -2 3 356.381 0.863 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001608627175 1288860122 /nfs/dbraw/zinc/86/01/22/1288860122.db2.gz REFIXASGANWJQS-UTUOFQBUSA-N -2 3 370.431 0.324 20 0 FCADHL O=C([O-])CCCS(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001608717846 1288869196 /nfs/dbraw/zinc/86/91/96/1288869196.db2.gz CINTUSVDJVDRSG-UHFFFAOYSA-N -2 3 356.400 0.345 20 0 FCADHL O=C([O-])C1CCC2(CC1)NC(=O)N(c1ccc3c(c1)C(=O)[N-]C3=O)C2=O ZINC001609043888 1288886641 /nfs/dbraw/zinc/88/66/41/1288886641.db2.gz HWSMIOOLEDCYIV-UHFFFAOYSA-N -2 3 357.322 0.640 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ncccc2-c2nnn[n-]2)s1 ZINC001609065047 1288895862 /nfs/dbraw/zinc/89/58/62/1288895862.db2.gz LFVLRUGEVGNLKV-UHFFFAOYSA-N -2 3 366.388 0.477 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)s1 ZINC001609065047 1288895868 /nfs/dbraw/zinc/89/58/68/1288895868.db2.gz LFVLRUGEVGNLKV-UHFFFAOYSA-N -2 3 366.388 0.477 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609086661 1288911655 /nfs/dbraw/zinc/91/16/55/1288911655.db2.gz OFUBIMAPCLEOCT-BXKDBHETSA-N -2 3 353.404 0.890 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609086661 1288911665 /nfs/dbraw/zinc/91/16/65/1288911665.db2.gz OFUBIMAPCLEOCT-BXKDBHETSA-N -2 3 353.404 0.890 20 0 FCADHL CC(C)CS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609096834 1288916425 /nfs/dbraw/zinc/91/64/25/1288916425.db2.gz BOBIVURSRPJWHY-JTQLQIEISA-N -2 3 353.404 0.736 20 0 FCADHL C[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)CC(=O)[O-] ZINC001609111245 1288925102 /nfs/dbraw/zinc/92/51/02/1288925102.db2.gz MOQAVCNWAUKKSY-QMMMGPOBSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001609161358 1288959364 /nfs/dbraw/zinc/95/93/64/1288959364.db2.gz SVOYNLXGFVVVLE-VHSXEESVSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001609161358 1288959365 /nfs/dbraw/zinc/95/93/65/1288959365.db2.gz SVOYNLXGFVVVLE-VHSXEESVSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@H](C(=O)[O-])C1 ZINC001609168559 1288962481 /nfs/dbraw/zinc/96/24/81/1288962481.db2.gz GCCSFWFFKTXFKP-KCJUWKMLSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001609179137 1288971899 /nfs/dbraw/zinc/97/18/99/1288971899.db2.gz MAOFTTITPALDOA-IMTBSYHQSA-N -2 3 373.391 0.543 20 0 FCADHL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001609179137 1288971908 /nfs/dbraw/zinc/97/19/08/1288971908.db2.gz MAOFTTITPALDOA-IMTBSYHQSA-N -2 3 373.391 0.543 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC(=O)[O-] ZINC001609190684 1288978595 /nfs/dbraw/zinc/97/85/95/1288978595.db2.gz SBKGLFVNROPQSF-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL CCC1(C(=O)[O-])CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001609196440 1288981405 /nfs/dbraw/zinc/98/14/05/1288981405.db2.gz JXVAJXAQOLMQPC-UHFFFAOYSA-N -2 3 366.403 0.527 20 0 FCADHL CCC1(C(=O)[O-])CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001609196440 1288981406 /nfs/dbraw/zinc/98/14/06/1288981406.db2.gz JXVAJXAQOLMQPC-UHFFFAOYSA-N -2 3 366.403 0.527 20 0 FCADHL NC(=O)COc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001609504266 1289184689 /nfs/dbraw/zinc/18/46/89/1289184689.db2.gz KLFQVSSBTHKZQW-UHFFFAOYSA-N -2 3 354.326 0.689 20 0 FCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609517003 1289191402 /nfs/dbraw/zinc/19/14/02/1289191402.db2.gz QAXBSLVDFRLVHT-UPHRSURJSA-N -2 3 364.387 0.049 20 0 FCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609517003 1289191405 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O=C([O-])COc1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001192743509 852287132 /nfs/dbraw/zinc/28/71/32/852287132.db2.gz KPHMHAKTJNSBFG-UHFFFAOYSA-N -3 3 367.316 0.386 20 0 FCADHL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1[nH]c(=S)[n-]c(=O)c1N=O ZINC001193017221 852338227 /nfs/dbraw/zinc/33/82/27/852338227.db2.gz UPAMKUQRRBGWNB-UHFFFAOYSA-N -2 3 350.378 0.952 20 0 FCADHL CN1CCOC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195253767 852731537 /nfs/dbraw/zinc/73/15/37/852731537.db2.gz DFSUQUMNHXYFEA-MRVPVSSYSA-N -2 3 350.343 0.272 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCC[C@H](O)C2)c(F)cc1F ZINC001195259221 852732758 /nfs/dbraw/zinc/73/27/58/852732758.db2.gz ZUGQWJJNXKOKPV-VIFPVBQESA-N -2 3 364.370 0.398 20 0 FCADHL CSCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(N)=O ZINC001195260326 852733789 /nfs/dbraw/zinc/73/37/89/852733789.db2.gz WOIKFGMWIPRISF-VIFPVBQESA-N -2 3 368.383 0.548 20 0 FCADHL Cc1cc([O-])c(C(=O)NCc2nnn[n-]2)cc1I ZINC001196137341 852898191 /nfs/dbraw/zinc/89/81/91/852898191.db2.gz DVBFAAAGIAIUPI-UHFFFAOYSA-N -2 3 359.127 0.748 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])c1cnc(OC2CCOCC2)nc1 ZINC001199518595 853436523 /nfs/dbraw/zinc/43/65/23/853436523.db2.gz VRYJOIPYJXSRKJ-UHFFFAOYSA-N -2 3 359.319 0.722 20 0 FCADHL COC(=O)c1ccccc1S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001254078272 857938819 /nfs/dbraw/zinc/93/88/19/857938819.db2.gz ANFQMALTLIXYFF-UHFFFAOYSA-N -2 3 351.317 0.709 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(CO)CCOCC2)c(F)cc1Cl ZINC001259222381 858249566 /nfs/dbraw/zinc/24/95/66/858249566.db2.gz QSLOSCRUGSNDQK-UHFFFAOYSA-N -2 3 367.782 0.997 20 0 FCADHL CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259223666 858249580 /nfs/dbraw/zinc/24/95/80/858249580.db2.gz ILXRBISVIFZGDA-QMMMGPOBSA-N -2 3 366.798 0.786 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C=CS(=O)(=O)C2)c(F)cc1Cl ZINC001259221534 858249738 /nfs/dbraw/zinc/24/97/38/858249738.db2.gz LFOQVEJZGGRYGB-LURJTMIESA-N -2 3 369.779 0.766 20 0 FCADHL Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nc(=O)o[n-]2)s1 ZINC001343484188 870451526 /nfs/dbraw/zinc/45/15/26/870451526.db2.gz JYFUZTOWFZOGRP-UHFFFAOYSA-N -2 3 354.207 0.974 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001327313918 870785639 /nfs/dbraw/zinc/78/56/39/870785639.db2.gz SRPHLCPOTDSCOY-SNVBAGLBSA-N -2 3 373.203 0.855 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2O)c(Br)o1 ZINC000323257141 970983446 /nfs/dbraw/zinc/98/34/46/970983446.db2.gz HOJXPWUEJWAWBU-WDSKDSINSA-N -2 3 354.178 0.932 20 0 FCADHL CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1=O ZINC000325700056 971237359 /nfs/dbraw/zinc/23/73/59/971237359.db2.gz UTAKSRWNJULXFF-SSDOTTSWSA-N -2 3 362.310 0.089 20 0 FCADHL O=C([O-])C1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCOCC1 ZINC001595279136 949959943 /nfs/dbraw/zinc/95/99/43/949959943.db2.gz NBHGNXRCNXQTHT-UHFFFAOYSA-N -2 3 362.382 0.558 20 0 FCADHL CCN1CC[C@@H]1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001589741377 950598568 /nfs/dbraw/zinc/59/85/68/950598568.db2.gz MBMUXAHRVHFAMI-OPRDCNLKSA-N -2 3 351.325 0.203 20 0 FCADHL CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(-c2nn[n-]n2)cn1 ZINC001573876349 950672932 /nfs/dbraw/zinc/67/29/32/950672932.db2.gz MAKSTNVYAINEIX-HSZRJFAPSA-N -2 3 373.464 0.492 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574765674 950797210 /nfs/dbraw/zinc/79/72/10/950797210.db2.gz JJGUQWHGEZYKGK-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574765674 950797220 /nfs/dbraw/zinc/79/72/20/950797220.db2.gz JJGUQWHGEZYKGK-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1ncccc1-c1nnn[n-]1 ZINC001574767344 950848656 /nfs/dbraw/zinc/84/86/56/950848656.db2.gz QSBUFAMDKFTSGU-SNVBAGLBSA-N -2 3 354.374 0.935 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1ncccc1-c1nn[n-]n1 ZINC001574767344 950848677 /nfs/dbraw/zinc/84/86/77/950848677.db2.gz QSBUFAMDKFTSGU-SNVBAGLBSA-N -2 3 354.374 0.935 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571027521 951496584 /nfs/dbraw/zinc/49/65/84/951496584.db2.gz OBXXSDQJNMDPMB-ZJUUUORDSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571027521 951496591 /nfs/dbraw/zinc/49/65/91/951496591.db2.gz OBXXSDQJNMDPMB-ZJUUUORDSA-N -2 3 367.373 0.330 20 0 FCADHL O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001571027805 951502349 /nfs/dbraw/zinc/50/23/49/951502349.db2.gz SEBWWWRVQYJMBX-JTQLQIEISA-N -2 3 367.373 0.156 20 0 FCADHL O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001571027805 951502354 /nfs/dbraw/zinc/50/23/54/951502354.db2.gz SEBWWWRVQYJMBX-JTQLQIEISA-N -2 3 367.373 0.156 20 0 FCADHL CC(C)OC(=O)c1cc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n[n-]1 ZINC001603074838 972142451 /nfs/dbraw/zinc/14/24/51/972142451.db2.gz WZHZEIKDRGBZJU-SECBINFHSA-N -2 3 352.347 0.237 20 0 FCADHL CC(C)OC(=O)c1cc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)[n-]n1 ZINC001603074838 972142456 /nfs/dbraw/zinc/14/24/56/972142456.db2.gz WZHZEIKDRGBZJU-SECBINFHSA-N -2 3 352.347 0.237 20 0 FCADHL C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001589115547 956093503 /nfs/dbraw/zinc/09/35/03/956093503.db2.gz WKWLSZKVNOUOQO-DTWKUNHWSA-N -2 3 361.358 0.612 20 0 FCADHL C[C@@H]1CN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000389859357 972252270 /nfs/dbraw/zinc/25/22/70/972252270.db2.gz FMKAZCXJSMJOII-BXUZGUMPSA-N -2 3 364.427 0.907 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCc1c(F)cc([O-])cc1F ZINC001574754460 957728345 /nfs/dbraw/zinc/72/83/45/957728345.db2.gz NOVYKTTYKTZWHK-LBPRGKRZSA-N -2 3 350.343 0.596 20 0 FCADHL COC(=O)c1[n-]cnc1NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001574097834 962381755 /nfs/dbraw/zinc/38/17/55/962381755.db2.gz SFFCVCYGKYGUED-NSHDSACASA-N -2 3 357.326 0.854 20 0 FCADHL COC(=O)c1nc[n-]c1NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001574097834 962381770 /nfs/dbraw/zinc/38/17/70/962381770.db2.gz SFFCVCYGKYGUED-NSHDSACASA-N -2 3 357.326 0.854 20 0 FCADHL CS(=O)(=O)C1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000393624610 972616984 /nfs/dbraw/zinc/61/69/84/972616984.db2.gz HVKFUHMCLJEBCI-UHFFFAOYSA-N -2 3 369.367 0.519 20 0 FCADHL O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](N=c2ncnc3[nH][n-]cc2-3)C1=O ZINC001605910017 972769757 /nfs/dbraw/zinc/76/97/57/972769757.db2.gz MNMFJFCQDUOXEU-QWHCGFSZSA-N -2 3 352.354 0.565 20 0 FCADHL Cc1nc(C)c(CCC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c(=O)[n-]1 ZINC001605400626 973383872 /nfs/dbraw/zinc/38/38/72/973383872.db2.gz BEPPSDRUKPDXJV-CYBMUJFWSA-N -2 3 364.402 0.314 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)nc1Cl ZINC001605501593 973671748 /nfs/dbraw/zinc/67/17/48/973671748.db2.gz RYWISWQRYQGULT-JVVWGOMOSA-N -2 3 363.823 0.764 20 0 FCADHL COc1cccc([O-])c1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001604871284 974120764 /nfs/dbraw/zinc/12/07/64/974120764.db2.gz PDIMFCWPFUNLMX-NSHDSACASA-N -2 3 362.382 0.939 20 0 FCADHL CN(C)C(=O)OCCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001604045678 974574827 /nfs/dbraw/zinc/57/48/27/974574827.db2.gz JBPUGWRVUFDDES-RKDXNWHRSA-N -2 3 355.313 0.281 20 0 FCADHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC001592415852 978014807 /nfs/dbraw/zinc/01/48/07/978014807.db2.gz QHAYKNUXHMHMOU-NSHDSACASA-N -2 3 370.431 0.074 20 0 FCADHL C[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001593025628 980281970 /nfs/dbraw/zinc/28/19/70/980281970.db2.gz GICQXLWSRJQHGP-NKWVEPMBSA-N -2 3 363.296 0.324 20 0 FCADHL C[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001593025627 980282097 /nfs/dbraw/zinc/28/20/97/980282097.db2.gz GICQXLWSRJQHGP-BQBZGAKWSA-N -2 3 363.296 0.324 20 0 FCADHL CCCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H](C)C(=O)[O-] ZINC001595821406 982689611 /nfs/dbraw/zinc/68/96/11/982689611.db2.gz KTKJOWWWOJZGQA-ZETCQYMHSA-N -2 3 362.180 0.423 20 0 FCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])[C@H]1CCCOC1 ZINC001596544374 984400678 /nfs/dbraw/zinc/40/06/78/984400678.db2.gz UBNUJVOWDRUIMP-ONGXEEELSA-N -2 3 361.372 0.614 20 0 FCADHL CCOC(=O)c1nc(C2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC2)n[n-]1 ZINC001596750813 985101317 /nfs/dbraw/zinc/10/13/17/985101317.db2.gz XVGDKLNWTVCQJW-VIFPVBQESA-N -2 3 374.419 0.211 20 0 FCADHL CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])C1(C)C ZINC001596847934 985566345 /nfs/dbraw/zinc/56/63/45/985566345.db2.gz VJOOBVQLHQWXKZ-ZANVPECISA-N -2 3 364.445 0.686 20 0 FCADHL CC(=O)Nc1cccc(OCC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001589216321 985715599 /nfs/dbraw/zinc/71/55/99/985715599.db2.gz XUCGOXHBZSTDHA-UHFFFAOYSA-N -2 3 368.371 0.424 20 0 FCADHL CC(=O)c1cccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[n-]c2=O)c1 ZINC001589309439 986078822 /nfs/dbraw/zinc/07/88/22/986078822.db2.gz METSJAZDPLUXIF-JTQLQIEISA-N -3 3 365.342 0.509 20 0 FCADHL C[C@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001594623355 986674679 /nfs/dbraw/zinc/67/46/79/986674679.db2.gz AGQFKGHHOIFLER-JTQLQIEISA-N -2 3 350.400 0.837 20 0 FCADHL C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001594642530 986805770 /nfs/dbraw/zinc/80/57/70/986805770.db2.gz KQCFZXCBENCOGU-FUXBKTLASA-N -2 3 367.782 0.996 20 0 FCADHL CCOc1cccc(CC[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n1 ZINC001597153204 986935997 /nfs/dbraw/zinc/93/59/97/986935997.db2.gz FAQCECUEOLIWNI-UHFFFAOYSA-N -2 3 354.388 0.731 20 0 FCADHL CSc1nc(C)c(CCC(=O)N2CCN(CC(=O)[O-])CC2)c(=O)[n-]1 ZINC001599827163 988614528 /nfs/dbraw/zinc/61/45/28/988614528.db2.gz GOPUKTYWMLFKRZ-UHFFFAOYSA-N -2 3 354.432 0.374 20 0 FCADHL CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001590343659 989793192 /nfs/dbraw/zinc/79/31/92/989793192.db2.gz OPSBPZBDNCMWSE-QWRGUYRKSA-N -2 3 351.421 0.660 20 0 FCADHL CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(C)(C)CC(=O)[O-] ZINC001598041284 990274191 /nfs/dbraw/zinc/27/41/91/990274191.db2.gz LSURYEPSBUBLCQ-UHFFFAOYSA-N -2 3 362.180 0.423 20 0 FCADHL CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001598284050 991179499 /nfs/dbraw/zinc/17/94/99/991179499.db2.gz WXMNOMWOZKFRHP-STFLBKPXSA-N -2 3 371.387 0.499 20 0 FCADHL COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001599714482 991428999 /nfs/dbraw/zinc/42/89/99/991428999.db2.gz DWKBFJXQACAWFX-JTQLQIEISA-N -2 3 366.399 0.674 20 0 FCADHL CN(C)c1nc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc(=O)[n-]1 ZINC001598354973 991474886 /nfs/dbraw/zinc/47/48/86/991474886.db2.gz VTCYNTDBUWFSGL-LBPRGKRZSA-N -2 3 364.333 0.649 20 0 FCADHL CN(C)c1noc(C[N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC001598364247 991505241 /nfs/dbraw/zinc/50/52/41/991505241.db2.gz DDFLCCJXSZCEIO-VMPITWQZSA-N -2 3 352.372 0.712 20 0 FCADHL CN(CC[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)CC(=O)[O-] ZINC001598495670 992356225 /nfs/dbraw/zinc/35/62/25/992356225.db2.gz OAFJKKYFZOEBLN-NRFANRHFSA-N -2 3 355.482 0.268 20 0 FCADHL CN(OCC(F)(F)F)C(=O)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001598540322 992892325 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/nfs/dbraw/zinc/73/99/77/598739977.db2.gz CNTLUMFJYSCEOJ-UHFFFAOYSA-N -2 3 371.444 0.192 20 0 FCADHL NC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Cc1ccc(F)cc1 ZINC000739147341 599779688 /nfs/dbraw/zinc/77/96/88/599779688.db2.gz BZBADDNWOGQPQB-SNVBAGLBSA-N -2 3 370.358 0.739 20 0 FCADHL O=C([O-])[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000262171414 600070604 /nfs/dbraw/zinc/07/06/04/600070604.db2.gz VDMDYUBHKXHXDB-ZETCQYMHSA-N -2 3 352.821 0.755 20 0 FCADHL O=C([O-])CN(CCN1CCOCC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000739785181 600265194 /nfs/dbraw/zinc/26/51/94/600265194.db2.gz AIXFERHWKWORQW-UHFFFAOYSA-N -2 3 359.382 0.387 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCCO1 ZINC000823284513 607442037 /nfs/dbraw/zinc/44/20/37/607442037.db2.gz IJQUOJXJBOQGRX-LBPRGKRZSA-N -2 3 351.388 0.382 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCCO1 ZINC000823284513 607442039 /nfs/dbraw/zinc/44/20/39/607442039.db2.gz IJQUOJXJBOQGRX-LBPRGKRZSA-N -2 3 351.388 0.382 20 0 FCADHL Cc1nccn1CCNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000738894668 600575895 /nfs/dbraw/zinc/57/58/95/600575895.db2.gz MSIKIMBKDBCFSK-UHFFFAOYSA-N -2 3 369.381 0.728 20 0 FCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000833089924 600935678 /nfs/dbraw/zinc/93/56/78/600935678.db2.gz HCLLIUNSFZPIEU-QMMMGPOBSA-N -2 3 350.306 0.282 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCN2CCOCC2)c1F ZINC000319788339 600989565 /nfs/dbraw/zinc/98/95/65/600989565.db2.gz HMXKAZKAEHJRBN-UHFFFAOYSA-N -2 3 350.343 0.274 20 0 FCADHL O=C([O-])Cn1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000833275647 601060595 /nfs/dbraw/zinc/06/05/95/601060595.db2.gz LMBKQMHZQOPTIF-UHFFFAOYSA-N -2 3 373.369 0.663 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C2CCN(C(=O)C3CC3)CC2)cc1C(=O)[O-] ZINC000833029008 601216174 /nfs/dbraw/zinc/21/61/74/601216174.db2.gz WPRSJLGBYJQCBJ-UHFFFAOYSA-N -2 3 356.400 0.966 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC(=O)N2CCCCC2)c1F ZINC000392331209 601231527 /nfs/dbraw/zinc/23/15/27/601231527.db2.gz YYLFLQOLCXKYJJ-UHFFFAOYSA-N -2 3 362.354 0.954 20 0 FCADHL CC1(OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820628649 607496566 /nfs/dbraw/zinc/49/65/66/607496566.db2.gz KJAUSFCVMSMORI-UHFFFAOYSA-N -2 3 351.388 0.631 20 0 FCADHL CC1(OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820628649 607496568 /nfs/dbraw/zinc/49/65/68/607496568.db2.gz KJAUSFCVMSMORI-UHFFFAOYSA-N -2 3 351.388 0.631 20 0 FCADHL O=C([O-])c1ccsc1N1CC[C@H]([N-]S(=O)(=O)C[C@@H]2CCOC2)C1=O ZINC000833342620 601263112 /nfs/dbraw/zinc/26/31/12/601263112.db2.gz ZZLODWZNBBOMHY-KOLCDFICSA-N -2 3 374.440 0.508 20 0 FCADHL O=C([O-])c1ccsc1N1CC[C@@H]([N-]S(=O)(=O)C[C@H]2CCOC2)C1=O ZINC000833342617 601263240 /nfs/dbraw/zinc/26/32/40/601263240.db2.gz ZZLODWZNBBOMHY-GXSJLCMTSA-N -2 3 374.440 0.508 20 0 FCADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000831584094 601267019 /nfs/dbraw/zinc/26/70/19/601267019.db2.gz CNDFEWNPMDMCTC-GFCCVEGCSA-N -2 3 351.402 0.693 20 0 FCADHL NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)o1 ZINC000833085184 601583724 /nfs/dbraw/zinc/58/37/24/601583724.db2.gz IGMBULZPEHEQMP-UHFFFAOYSA-N -2 3 360.294 0.833 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)[O-])o2)ccc1F ZINC000831029566 601624758 /nfs/dbraw/zinc/62/47/58/601624758.db2.gz WHHKNCYZRDCXJN-UHFFFAOYSA-N -2 3 356.331 0.955 20 0 FCADHL C[C@@H]1CN([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C[C@H]1C(=O)[O-] ZINC000828433766 601635509 /nfs/dbraw/zinc/63/55/09/601635509.db2.gz ZXQIZZQIAOTSOS-HONMWMINSA-N -2 3 360.366 0.665 20 0 FCADHL CC(C)(CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000826561651 601714772 /nfs/dbraw/zinc/71/47/72/601714772.db2.gz GWKQSDGYNDSSEJ-UHFFFAOYSA-N -2 3 354.837 0.907 20 0 FCADHL NC(=O)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833080157 601799633 /nfs/dbraw/zinc/79/96/33/601799633.db2.gz LPOFUUUFAZLXMM-VXNVDRBHSA-N -2 3 362.354 0.985 20 0 FCADHL NC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833080154 601799705 /nfs/dbraw/zinc/79/97/05/601799705.db2.gz LPOFUUUFAZLXMM-APPZFPTMSA-N -2 3 362.354 0.985 20 0 FCADHL C[S@](=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000229193770 602156095 /nfs/dbraw/zinc/15/60/95/602156095.db2.gz DNAFUACSSQSQEH-SFHVURJKSA-N -2 3 374.234 0.787 20 0 FCADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)ccc1[O-] ZINC000825890543 602196405 /nfs/dbraw/zinc/19/64/05/602196405.db2.gz PJFNPXNVBVEHPG-UHFFFAOYSA-N -3 3 354.344 0.433 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCC1 ZINC000826124540 607556017 /nfs/dbraw/zinc/55/60/17/607556017.db2.gz TUOWSXLHHFPOTA-UHFFFAOYSA-N -2 3 373.341 0.519 20 0 FCADHL Cc1c(NC(=O)C(=O)[N-]OCc2cccnc2)cccc1-c1nnn[n-]1 ZINC000826240781 607632427 /nfs/dbraw/zinc/63/24/27/607632427.db2.gz HGNWDSBKWNAVKQ-UHFFFAOYSA-N -2 3 353.342 0.757 20 0 FCADHL Cc1c(NC(=O)C(=O)[N-]OCc2cccnc2)cccc1-c1nn[n-]n1 ZINC000826240781 607632428 /nfs/dbraw/zinc/63/24/28/607632428.db2.gz HGNWDSBKWNAVKQ-UHFFFAOYSA-N -2 3 353.342 0.757 20 0 FCADHL CC[C@H](O)CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825153432 607645689 /nfs/dbraw/zinc/64/56/89/607645689.db2.gz HJKGQZJXBBUDKD-VIFPVBQESA-N -2 3 361.374 0.974 20 0 FCADHL Cc1nn2c(SCC(=O)c3cccc(-c4nnn[n-]4)c3)n[n-]c2nc1=O ZINC000826334905 607658961 /nfs/dbraw/zinc/65/89/61/607658961.db2.gz OMWKANBIUCHPBG-UHFFFAOYSA-N -2 3 369.370 0.276 20 0 FCADHL Cc1nn2c(SCC(=O)c3cccc(-c4nn[n-]n4)c3)n[n-]c2nc1=O ZINC000826334905 607658963 /nfs/dbraw/zinc/65/89/63/607658963.db2.gz OMWKANBIUCHPBG-UHFFFAOYSA-N -2 3 369.370 0.276 20 0 FCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCSC1 ZINC000833715826 604704338 /nfs/dbraw/zinc/70/43/38/604704338.db2.gz FYMPFACNCNEWQF-CYBMUJFWSA-N -2 3 363.388 0.851 20 0 FCADHL CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000829966567 604724064 /nfs/dbraw/zinc/72/40/64/604724064.db2.gz JMGSVGFMWGDALU-NSHDSACASA-N -2 3 362.379 0.296 20 0 FCADHL C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000833590013 604838753 /nfs/dbraw/zinc/83/87/53/604838753.db2.gz YFHBWPFHHVCKDP-QWHCGFSZSA-N -2 3 372.425 0.957 20 0 FCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833090194 604957263 /nfs/dbraw/zinc/95/72/63/604957263.db2.gz RWALQUUEKCTWCN-UHFFFAOYSA-N -2 3 373.369 0.885 20 0 FCADHL C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833620969 605046385 /nfs/dbraw/zinc/04/63/85/605046385.db2.gz YSSUWKDHOANNLK-WCBMZHEXSA-N -2 3 373.456 0.767 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)C(=O)[O-])ccc1F ZINC000833430954 605466711 /nfs/dbraw/zinc/46/67/11/605466711.db2.gz LPIUWFQFQHNMSU-JTQLQIEISA-N -2 3 362.379 0.078 20 0 FCADHL CCN(C(=O)c1cnc([O-])n(C)c1=O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153494 606310743 /nfs/dbraw/zinc/31/07/43/606310743.db2.gz DIEBGPFBDKGDEP-SNVBAGLBSA-N -2 3 369.385 0.889 20 0 FCADHL Cn1cnc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1Cl ZINC000822699033 606337868 /nfs/dbraw/zinc/33/78/68/606337868.db2.gz LYJXEDZAZSVTPL-UHFFFAOYSA-N -2 3 355.767 0.760 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000822645684 606406555 /nfs/dbraw/zinc/40/65/55/606406555.db2.gz KMRFSRCGNTYUKO-UHFFFAOYSA-N -2 3 350.335 0.463 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000822645684 606406557 /nfs/dbraw/zinc/40/65/57/606406557.db2.gz KMRFSRCGNTYUKO-UHFFFAOYSA-N -2 3 350.335 0.463 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000822645849 606406579 /nfs/dbraw/zinc/40/65/79/606406579.db2.gz SGXKOPLOPSBYGO-UHFFFAOYSA-N -2 3 350.335 0.463 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000822645849 606406581 /nfs/dbraw/zinc/40/65/81/606406581.db2.gz SGXKOPLOPSBYGO-UHFFFAOYSA-N -2 3 350.335 0.463 20 0 FCADHL O=C([N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1)C1CC1 ZINC000823284783 606654811 /nfs/dbraw/zinc/65/48/11/606654811.db2.gz JXILNPDAJBNNRP-UHFFFAOYSA-N -2 3 372.204 0.844 20 0 FCADHL O=C([N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1)C1CC1 ZINC000823284783 606654812 /nfs/dbraw/zinc/65/48/12/606654812.db2.gz JXILNPDAJBNNRP-UHFFFAOYSA-N -2 3 372.204 0.844 20 0 FCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823197328 606697636 /nfs/dbraw/zinc/69/76/36/606697636.db2.gz QLWNVTLVOZVXKE-UHFFFAOYSA-N -2 3 350.289 0.331 20 0 FCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823197328 606697637 /nfs/dbraw/zinc/69/76/37/606697637.db2.gz QLWNVTLVOZVXKE-UHFFFAOYSA-N -2 3 350.289 0.331 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc3ncccc32)n1 ZINC000822623349 606710047 /nfs/dbraw/zinc/71/00/47/606710047.db2.gz UGKPORDLKGANCI-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nn(C)cc3-c3nnn[n-]3)ccc2O1 ZINC000820813805 606710889 /nfs/dbraw/zinc/71/08/89/606710889.db2.gz NGJAQPVFPQPJDN-QMMMGPOBSA-N -2 3 361.387 0.724 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCSC1 ZINC000822222308 606801751 /nfs/dbraw/zinc/80/17/51/606801751.db2.gz CDNINYFXTCYDPN-JTQLQIEISA-N -2 3 353.429 0.733 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCSC1 ZINC000822222308 606801752 /nfs/dbraw/zinc/80/17/52/606801752.db2.gz CDNINYFXTCYDPN-JTQLQIEISA-N -2 3 353.429 0.733 20 0 FCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823266525 606807191 /nfs/dbraw/zinc/80/71/91/606807191.db2.gz XANRCMVXEWMIRY-UHFFFAOYSA-N -2 3 367.276 0.614 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820971848 606839465 /nfs/dbraw/zinc/83/94/65/606839465.db2.gz HALIJQDXDRQCMS-PWSUYJOCSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971848 606839467 /nfs/dbraw/zinc/83/94/67/606839467.db2.gz HALIJQDXDRQCMS-PWSUYJOCSA-N -2 3 351.388 0.629 20 0 FCADHL Cc1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)no1 ZINC000822201292 606888817 /nfs/dbraw/zinc/88/88/17/606888817.db2.gz ZIIBJFGKYWWKJV-UHFFFAOYSA-N -2 3 356.314 0.920 20 0 FCADHL O=S(=O)([N-]C[C@H]1CCCCO1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573741 606888870 /nfs/dbraw/zinc/88/88/70/606888870.db2.gz YKONQSWBLHRLFP-SECBINFHSA-N -2 3 359.358 0.992 20 0 FCADHL Cc1noc(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822528057 606888890 /nfs/dbraw/zinc/88/88/90/606888890.db2.gz QXJZBRJAUUAUFQ-UHFFFAOYSA-N -2 3 371.329 0.357 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820677286 606917486 /nfs/dbraw/zinc/91/74/86/606917486.db2.gz QHHWSFRSBLEDPQ-BXKDBHETSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820677286 606917487 /nfs/dbraw/zinc/91/74/87/606917487.db2.gz QHHWSFRSBLEDPQ-BXKDBHETSA-N -2 3 351.388 0.380 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cncc(F)c1 ZINC000823285694 607096206 /nfs/dbraw/zinc/09/62/06/607096206.db2.gz YZFYLEAAJLGTOM-UHFFFAOYSA-N -2 3 362.346 0.661 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cncc(F)c1 ZINC000823285694 607096207 /nfs/dbraw/zinc/09/62/07/607096207.db2.gz YZFYLEAAJLGTOM-UHFFFAOYSA-N -2 3 362.346 0.661 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825073714 607776417 /nfs/dbraw/zinc/77/64/17/607776417.db2.gz AXKKLRSBIMCELY-JTQLQIEISA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825073714 607776418 /nfs/dbraw/zinc/77/64/18/607776418.db2.gz AXKKLRSBIMCELY-JTQLQIEISA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825073650 607777451 /nfs/dbraw/zinc/77/74/51/607777451.db2.gz AAQBOAHZFYLIHN-JTQLQIEISA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825073650 607777452 /nfs/dbraw/zinc/77/74/52/607777452.db2.gz AAQBOAHZFYLIHN-JTQLQIEISA-N -2 3 353.404 0.628 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826147776 607922954 /nfs/dbraw/zinc/92/29/54/607922954.db2.gz LVOWUMHKJHOQFI-UHFFFAOYSA-N -2 3 353.404 0.485 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826147776 607922955 /nfs/dbraw/zinc/92/29/55/607922955.db2.gz LVOWUMHKJHOQFI-UHFFFAOYSA-N -2 3 353.404 0.485 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826409024 607985519 /nfs/dbraw/zinc/98/55/19/607985519.db2.gz FMQBRQVVCGTWPX-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826409024 607985520 /nfs/dbraw/zinc/98/55/20/607985520.db2.gz FMQBRQVVCGTWPX-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402769 607985538 /nfs/dbraw/zinc/98/55/38/607985538.db2.gz BLEIBTWBFRLWNG-BAQGIRSFSA-N -2 3 356.367 0.780 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826402769 607985539 /nfs/dbraw/zinc/98/55/39/607985539.db2.gz BLEIBTWBFRLWNG-BAQGIRSFSA-N -2 3 356.367 0.780 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826461237 608011271 /nfs/dbraw/zinc/01/12/71/608011271.db2.gz MJFZNDYBKFDOJB-JTQLQIEISA-N -2 3 351.388 0.742 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826461237 608011272 /nfs/dbraw/zinc/01/12/72/608011272.db2.gz MJFZNDYBKFDOJB-JTQLQIEISA-N -2 3 351.388 0.742 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826461431 608011440 /nfs/dbraw/zinc/01/14/40/608011440.db2.gz UZEXPRJAJYUUPU-SECBINFHSA-N -2 3 369.378 0.881 20 0 FCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825486011 608101924 /nfs/dbraw/zinc/10/19/24/608101924.db2.gz LRYTUVHTGYFTQR-UHFFFAOYSA-N -2 3 367.387 0.261 20 0 FCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825486011 608101925 /nfs/dbraw/zinc/10/19/25/608101925.db2.gz LRYTUVHTGYFTQR-UHFFFAOYSA-N -2 3 367.387 0.261 20 0 FCADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cccc(-n2cnnn2)c1 ZINC000826492974 608107262 /nfs/dbraw/zinc/10/72/62/608107262.db2.gz NOSVYTXOMINBAX-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]CC[C@@H]1CCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826491177 608126011 /nfs/dbraw/zinc/12/60/11/608126011.db2.gz WZABDKQFGVPECJ-MRVPVSSYSA-N -2 3 359.358 0.850 20 0 FCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)o1 ZINC000825565243 608306865 /nfs/dbraw/zinc/30/68/65/608306865.db2.gz OVPHUWLZPSRUIR-UHFFFAOYSA-N -2 3 353.320 0.160 20 0 FCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000825759893 608323651 /nfs/dbraw/zinc/32/36/51/608323651.db2.gz OSRBMWAJLWETNF-UHFFFAOYSA-N -2 3 362.419 0.921 20 0 FCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000825759893 608323653 /nfs/dbraw/zinc/32/36/53/608323653.db2.gz OSRBMWAJLWETNF-UHFFFAOYSA-N -2 3 362.419 0.921 20 0 FCADHL O=S(=O)([N-]CCc1cnccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826491691 608425367 /nfs/dbraw/zinc/42/53/67/608425367.db2.gz WIBRWAAXWXCQAO-UHFFFAOYSA-N -2 3 367.341 0.456 20 0 FCADHL O=C(c1n[nH]c(=O)[n-]c1=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474959 608481153 /nfs/dbraw/zinc/48/11/53/608481153.db2.gz MMZNVFYPBVSLHL-UHFFFAOYSA-N -2 3 366.341 0.392 20 0 FCADHL O=C(c1n[nH]c(=O)[n-]c1=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474959 608481154 /nfs/dbraw/zinc/48/11/54/608481154.db2.gz MMZNVFYPBVSLHL-UHFFFAOYSA-N -2 3 366.341 0.392 20 0 FCADHL Cc1nn2c(SCc3cccc(-c4nnn[n-]4)c3F)n[n-]c2nc1=O ZINC000826334998 608672092 /nfs/dbraw/zinc/67/20/92/608672092.db2.gz SRGGHKVQHWSDIH-UHFFFAOYSA-N -2 3 359.350 0.733 20 0 FCADHL Cc1nn2c(SCc3cccc(-c4nn[n-]n4)c3F)n[n-]c2nc1=O ZINC000826334998 608672093 /nfs/dbraw/zinc/67/20/93/608672093.db2.gz SRGGHKVQHWSDIH-UHFFFAOYSA-N -2 3 359.350 0.733 20 0 FCADHL COc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000826221515 608871536 /nfs/dbraw/zinc/87/15/36/608871536.db2.gz JHTKGCVLOQJHDM-UHFFFAOYSA-N -2 3 356.755 0.448 20 0 FCADHL COc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000826221515 608871538 /nfs/dbraw/zinc/87/15/38/608871538.db2.gz JHTKGCVLOQJHDM-UHFFFAOYSA-N -2 3 356.755 0.448 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826402282 609162130 /nfs/dbraw/zinc/16/21/30/609162130.db2.gz QFBWTSDIIDELBH-KRZKBDHCSA-N -2 3 363.399 0.505 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826402282 609162132 /nfs/dbraw/zinc/16/21/32/609162132.db2.gz QFBWTSDIIDELBH-KRZKBDHCSA-N -2 3 363.399 0.505 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cnc(C)nc1C ZINC000826329400 609257754 /nfs/dbraw/zinc/25/77/54/609257754.db2.gz BBVIWSVSLFPACX-UHFFFAOYSA-N -2 3 373.398 0.701 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cnc(C)nc1C ZINC000826329400 609257755 /nfs/dbraw/zinc/25/77/55/609257755.db2.gz BBVIWSVSLFPACX-UHFFFAOYSA-N -2 3 373.398 0.701 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826402552 609366448 /nfs/dbraw/zinc/36/64/48/609366448.db2.gz WYNIYKBVTSAMPR-ABZNLYFFSA-N -2 3 363.399 0.505 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826402552 609366451 /nfs/dbraw/zinc/36/64/51/609366451.db2.gz WYNIYKBVTSAMPR-ABZNLYFFSA-N -2 3 363.399 0.505 20 0 FCADHL COc1c([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cccc1C(N)=O ZINC000826166872 609457386 /nfs/dbraw/zinc/45/73/86/609457386.db2.gz FMEDIPFYGRXGCX-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL COc1c([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cccc1C(N)=O ZINC000826166872 609457388 /nfs/dbraw/zinc/45/73/88/609457388.db2.gz FMEDIPFYGRXGCX-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826334032 609500138 /nfs/dbraw/zinc/50/01/38/609500138.db2.gz FJFVHMJGLDDIIR-UHFFFAOYSA-N -2 3 365.423 0.860 20 0 FCADHL C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825014489 609611644 /nfs/dbraw/zinc/61/16/44/609611644.db2.gz WGUPGXHAGRSELN-CPFSXVBKSA-N -2 3 359.358 0.991 20 0 FCADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc1[N+](=O)[O-] ZINC000016099732 664472820 /nfs/dbraw/zinc/47/28/20/664472820.db2.gz HZQOSUJHHGMGGK-UHFFFAOYSA-N -2 3 352.328 0.622 20 0 FCADHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]NC(=O)c1ccccc1[O-] ZINC000055556909 666543506 /nfs/dbraw/zinc/54/35/06/666543506.db2.gz AFUMJFPVCWYJDF-UHFFFAOYSA-N -2 3 367.339 0.932 20 0 FCADHL O=C(NN1CC(=O)[N-]C1=O)c1cccc(I)c1[O-] ZINC000755052260 667621280 /nfs/dbraw/zinc/62/12/80/667621280.db2.gz AOTFSSHGLSMVRI-UHFFFAOYSA-N -2 3 361.095 0.193 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCO[C@@H]1CCOC1 ZINC000923256491 667819771 /nfs/dbraw/zinc/81/97/71/667819771.db2.gz YRNFSKBDKMMBNS-VWYCJHECSA-N -2 3 354.325 0.388 20 0 FCADHL CN(C)c1nccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)n1 ZINC000761319806 667887295 /nfs/dbraw/zinc/88/72/95/667887295.db2.gz PFKGCUGYOWJOAW-UHFFFAOYSA-N -2 3 372.353 0.998 20 0 FCADHL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)nn1 ZINC000761403997 667889158 /nfs/dbraw/zinc/88/91/58/667889158.db2.gz ZAZLFYPAGQVVIU-UHFFFAOYSA-N -2 3 366.186 0.657 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CCSCC1 ZINC000738138175 667904862 /nfs/dbraw/zinc/90/48/62/667904862.db2.gz DXZALKTUPRQZJV-UHFFFAOYSA-N -2 3 367.456 0.956 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CCSCC1 ZINC000738138175 667904864 /nfs/dbraw/zinc/90/48/64/667904864.db2.gz DXZALKTUPRQZJV-UHFFFAOYSA-N -2 3 367.456 0.956 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000776616258 668279478 /nfs/dbraw/zinc/27/94/78/668279478.db2.gz XATURSRPMROFDQ-YUMQZZPRSA-N -2 3 360.775 0.829 20 0 FCADHL Cn1cc(C[C@H](C[N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])cn1 ZINC000776636653 668281805 /nfs/dbraw/zinc/28/18/05/668281805.db2.gz UXOQFPCLSVXIPF-SNVBAGLBSA-N -2 3 358.807 0.690 20 0 FCADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)C(=O)[O-])n1 ZINC000776644549 668282666 /nfs/dbraw/zinc/28/26/66/668282666.db2.gz NYAHQRRHYQXVSJ-SECBINFHSA-N -2 3 361.811 0.319 20 0 FCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)c[n-]1 ZINC000789740683 668863940 /nfs/dbraw/zinc/86/39/40/668863940.db2.gz SCCWAJARAVQQJC-UHFFFAOYSA-N -2 3 356.360 0.512 20 0 FCADHL CC(C)OCCO[N-]C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000812802176 669816047 /nfs/dbraw/zinc/81/60/47/669816047.db2.gz BQIGKSSRAZTRPC-UHFFFAOYSA-N -2 3 350.169 0.184 20 0 FCADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837288762 670094497 /nfs/dbraw/zinc/09/44/97/670094497.db2.gz QBIPLIYBIAWBCX-XCBNKYQSSA-N -2 3 363.779 0.769 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)c(F)cc1F ZINC000844892461 670952703 /nfs/dbraw/zinc/95/27/03/670952703.db2.gz FFUKPZUWANBSAV-LURJTMIESA-N -2 3 355.340 0.128 20 0 FCADHL CS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844892345 670952785 /nfs/dbraw/zinc/95/27/85/670952785.db2.gz AURCAUYZNOOADC-UHFFFAOYSA-N -2 3 357.356 0.376 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOC[C@@H]2CCOC2)c(F)cc1F ZINC000844894254 670953505 /nfs/dbraw/zinc/95/35/05/670953505.db2.gz JWMWTYGSAZOEEY-SECBINFHSA-N -2 3 365.354 0.994 20 0 FCADHL Cn1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1=O ZINC000852734416 671520779 /nfs/dbraw/zinc/52/07/79/671520779.db2.gz AXRKZBUORURBCG-CMPLNLGQSA-N -2 3 361.320 0.481 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOC[C@H]1CCCO1 ZINC000852737816 671522165 /nfs/dbraw/zinc/52/21/65/671522165.db2.gz VPPCCLCZKFOZMF-UTUOFQBUSA-N -2 3 368.352 0.778 20 0 FCADHL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCOC1CCOCC1 ZINC000863533799 672133962 /nfs/dbraw/zinc/13/39/62/672133962.db2.gz YRPOFHVUZMFQLZ-NWDGAFQWSA-N -2 3 368.352 0.778 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000981977869 1186602824 /nfs/dbraw/zinc/60/28/24/1186602824.db2.gz MICVPLQAHFBHFL-NWDGAFQWSA-N -2 3 371.397 0.920 20 0 FCADHL CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cnc[n-]c1=O ZINC000984797767 1190144569 /nfs/dbraw/zinc/14/45/69/1190144569.db2.gz ZLRZNFHFGZYODX-NWDGAFQWSA-N -2 3 357.370 0.706 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)cc1C(N)=O ZINC000044667745 1196468991 /nfs/dbraw/zinc/46/89/91/1196468991.db2.gz BPCQNFSCGVKJEF-UHFFFAOYSA-N -2 3 373.394 0.296 20 0 FCADHL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCCCc1cc(=O)[nH][n-]1 ZINC000819869209 1203172157 /nfs/dbraw/zinc/17/21/57/1203172157.db2.gz GQXZTPVFLAMIBL-UHFFFAOYSA-N -2 3 373.438 0.848 20 0 FCADHL Cc1nc(C)c(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)c(=O)[n-]1 ZINC001096535372 1218455973 /nfs/dbraw/zinc/45/59/73/1218455973.db2.gz SXDWOAPRLKIQQD-WXHSDQCUSA-N -2 3 373.417 0.087 20 0 FCADHL COc1cc2[n-]cc(C(=O)N3CC[C@H](c4nnn[n-]4)C3)c(=O)c2c(OC)c1 ZINC001153002348 1222965038 /nfs/dbraw/zinc/96/50/38/1222965038.db2.gz TVLUFIVNVNIXHV-VIFPVBQESA-N -2 3 370.369 0.688 20 0 FCADHL COc1cc2[n-]cc(C(=O)N3CC[C@H](c4nn[n-]n4)C3)c(=O)c2c(OC)c1 ZINC001153002348 1222965041 /nfs/dbraw/zinc/96/50/41/1222965041.db2.gz TVLUFIVNVNIXHV-VIFPVBQESA-N -2 3 370.369 0.688 20 0 FCADHL O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-])c1cnc[n-]c1=O ZINC000976565751 1248243035 /nfs/dbraw/zinc/24/30/35/1248243035.db2.gz AAEBLTLNQQXNHX-VXGBXAGGSA-N -2 3 357.370 0.754 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc[n-]c2=O)c1[O-] ZINC001002060093 1252425290 /nfs/dbraw/zinc/42/52/90/1252425290.db2.gz UYRLFADMMQVVCR-IEBDPFPHSA-N -2 3 358.358 0.095 20 0 FCADHL C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315443 1278116854 /nfs/dbraw/zinc/11/68/54/1278116854.db2.gz OGLUCUARSYRWTI-APPZFPTMSA-N -2 3 372.307 0.989 20 0 FCADHL C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315443 1278116858 /nfs/dbraw/zinc/11/68/58/1278116858.db2.gz OGLUCUARSYRWTI-APPZFPTMSA-N -2 3 372.307 0.989 20 0 FCADHL C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315957 1278116909 /nfs/dbraw/zinc/11/69/09/1278116909.db2.gz ZLGYVDMPLRPQTG-APPZFPTMSA-N -2 3 356.312 0.550 20 0 FCADHL C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315957 1278116914 /nfs/dbraw/zinc/11/69/14/1278116914.db2.gz ZLGYVDMPLRPQTG-APPZFPTMSA-N -2 3 356.312 0.550 20 0 FCADHL O=C([O-])C1(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001339452913 1268241654 /nfs/dbraw/zinc/24/16/54/1268241654.db2.gz ASQWBLDSWCEVDJ-UHFFFAOYSA-N -2 3 367.836 0.596 20 0 FCADHL Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001580606599 1278566734 /nfs/dbraw/zinc/56/67/34/1278566734.db2.gz YTEWUAXRHUECDE-UHFFFAOYSA-N -2 3 368.357 0.579 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1=O ZINC001574243773 1271114484 /nfs/dbraw/zinc/11/44/84/1271114484.db2.gz YLYBLPRNEJVQCW-UHFFFAOYSA-N -2 3 356.390 0.266 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1=O ZINC001574243773 1271114486 /nfs/dbraw/zinc/11/44/86/1271114486.db2.gz YLYBLPRNEJVQCW-UHFFFAOYSA-N -2 3 356.390 0.266 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1cncc(-c2nnn[n-]2)n1 ZINC001574650491 1271449228 /nfs/dbraw/zinc/44/92/28/1271449228.db2.gz IRYSZNRXEAPWDB-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1cncc(-c2nn[n-]n2)n1 ZINC001574650491 1271449232 /nfs/dbraw/zinc/44/92/32/1271449232.db2.gz IRYSZNRXEAPWDB-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CN(C)c1ncccc1-c1nnn[n-]1)NC(=O)c1ncccc1[O-] ZINC001574824554 1271571425 /nfs/dbraw/zinc/57/14/25/1271571425.db2.gz WQGNQSUCXJIZBF-SNVBAGLBSA-N -2 3 354.374 0.617 20 0 FCADHL C[C@H](CN(C)c1ncccc1-c1nn[n-]n1)NC(=O)c1ncccc1[O-] ZINC001574824554 1271571428 /nfs/dbraw/zinc/57/14/28/1271571428.db2.gz WQGNQSUCXJIZBF-SNVBAGLBSA-N -2 3 354.374 0.617 20 0 FCADHL C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001575325113 1271929856 /nfs/dbraw/zinc/92/98/56/1271929856.db2.gz OJHYDCBREDEKDI-RKDXNWHRSA-N -2 3 370.373 0.232 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576350443 1273174511 /nfs/dbraw/zinc/17/45/11/1273174511.db2.gz JCJIOMYQQKDXPB-ONGXEEELSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576350443 1273174516 /nfs/dbraw/zinc/17/45/16/1273174516.db2.gz JCJIOMYQQKDXPB-ONGXEEELSA-N -2 3 367.373 0.330 20 0 FCADHL CC[C@@](C)(CC(=O)OC)NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576545485 1273429751 /nfs/dbraw/zinc/42/97/51/1273429751.db2.gz IVNQHINQYHVRIA-HNNXBMFYSA-N -2 3 360.378 0.436 20 0 FCADHL CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1nccnc1-c1nnn[n-]1 ZINC001576850098 1273800809 /nfs/dbraw/zinc/80/08/09/1273800809.db2.gz ACTCELUCILUVKY-MRVPVSSYSA-N -2 3 358.366 0.014 20 0 FCADHL CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ncccc1-c1nn[n-]n1 ZINC001576851639 1273803105 /nfs/dbraw/zinc/80/31/05/1273803105.db2.gz OMOQTBOOHVOSHM-VIFPVBQESA-N -2 3 357.378 0.619 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nnn[n-]1 ZINC001576917213 1273936642 /nfs/dbraw/zinc/93/66/42/1273936642.db2.gz IMUAPFBAPRYWPK-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nn[n-]n1 ZINC001576917213 1273936649 /nfs/dbraw/zinc/93/66/49/1273936649.db2.gz IMUAPFBAPRYWPK-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL CCN(CCNC(=O)c1ccccc1[O-])c1ccnc(-c2nnn[n-]2)n1 ZINC001578083783 1275384990 /nfs/dbraw/zinc/38/49/90/1275384990.db2.gz OGSJRIGKOBOTHQ-UHFFFAOYSA-N -2 3 354.374 0.619 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001578950502 1276496339 /nfs/dbraw/zinc/49/63/39/1276496339.db2.gz ZEJWEZWHBPKELG-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001578950502 1276496344 /nfs/dbraw/zinc/49/63/44/1276496344.db2.gz ZEJWEZWHBPKELG-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581086825 1279349842 /nfs/dbraw/zinc/34/98/42/1279349842.db2.gz JWWVFHUXSQYLPO-BDAKNGLRSA-N -2 3 371.405 0.926 20 0 FCADHL CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603282854 1287346224 /nfs/dbraw/zinc/34/62/24/1287346224.db2.gz LCVRIGUAQSSCDR-SNVBAGLBSA-N -2 3 368.419 0.518 20 0 FCADHL CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603282854 1287346228 /nfs/dbraw/zinc/34/62/28/1287346228.db2.gz LCVRIGUAQSSCDR-SNVBAGLBSA-N -2 3 368.419 0.518 20 0 FCADHL CC(C)[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)[O-] ZINC001603386781 1287364734 /nfs/dbraw/zinc/36/47/34/1287364734.db2.gz UZOUCXHRJWOZCJ-JTQLQIEISA-N -2 3 366.765 0.684 20 0 FCADHL CC(C)[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)[O-] ZINC001603386781 1287364740 /nfs/dbraw/zinc/36/47/40/1287364740.db2.gz UZOUCXHRJWOZCJ-JTQLQIEISA-N -2 3 366.765 0.684 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)c1[O-] ZINC001581390641 1279820668 /nfs/dbraw/zinc/82/06/68/1279820668.db2.gz ALCFGBOUHFPHOD-RQJHMYQMSA-N -2 3 358.366 0.013 20 0 FCADHL Cc1n[nH]c(C(=O)NCC=CCNc2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581391903 1279823649 /nfs/dbraw/zinc/82/36/49/1279823649.db2.gz ORBHPKPAIAEAPA-IHWYPQMZSA-N -2 3 355.362 0.397 20 0 FCADHL C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603466048 1287380281 /nfs/dbraw/zinc/38/02/81/1287380281.db2.gz HQEOSMDRNDXZGS-MRVPVSSYSA-N -2 3 357.367 0.928 20 0 FCADHL C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001603466048 1287380289 /nfs/dbraw/zinc/38/02/89/1287380289.db2.gz HQEOSMDRNDXZGS-MRVPVSSYSA-N -2 3 357.367 0.928 20 0 FCADHL C[C@H](CCNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1[O-] ZINC001603490253 1287389316 /nfs/dbraw/zinc/38/93/16/1287389316.db2.gz PMPVCTKYYYWMQF-SNVBAGLBSA-N -2 3 354.374 0.405 20 0 FCADHL O=C(CCCn1c(=O)[n-][nH]c1=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001582048873 1280971181 /nfs/dbraw/zinc/97/11/81/1280971181.db2.gz NJNOFZLSHGLCTG-UHFFFAOYSA-N -2 3 362.325 0.105 20 0 FCADHL O=C(NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ncccc1[O-] ZINC001582369338 1281424458 /nfs/dbraw/zinc/42/44/58/1281424458.db2.gz YFMJPLWNXKBSDE-SNVBAGLBSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ncccc1[O-] ZINC001582369338 1281424463 /nfs/dbraw/zinc/42/44/63/1281424463.db2.gz YFMJPLWNXKBSDE-SNVBAGLBSA-N -2 3 367.373 0.378 20 0 FCADHL C[C@@H]1C(=O)N([N-]C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C(=O)N1C ZINC001603830825 1287509894 /nfs/dbraw/zinc/50/98/94/1287509894.db2.gz OSBJIMIBHFRPRE-RXMQYKEDSA-N -2 3 351.273 0.072 20 0 FCADHL C[C@@H]1C(=O)N([N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C(=O)N1C ZINC001603830825 1287509901 /nfs/dbraw/zinc/50/99/01/1287509901.db2.gz OSBJIMIBHFRPRE-RXMQYKEDSA-N -2 3 351.273 0.072 20 0 FCADHL O=C(NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)c1ncccc1[O-] ZINC001582517276 1281703047 /nfs/dbraw/zinc/70/30/47/1281703047.db2.gz OTFOFBZSKDKCRG-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)c1ncccc1[O-] ZINC001582517276 1281703052 /nfs/dbraw/zinc/70/30/52/1281703052.db2.gz OTFOFBZSKDKCRG-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)c1ncccc1[O-] ZINC001582538970 1281726797 /nfs/dbraw/zinc/72/67/97/1281726797.db2.gz AMIVRLRTUJFHGE-UMSPYCQHSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)c1ncccc1[O-] ZINC001582538970 1281726804 /nfs/dbraw/zinc/72/68/04/1281726804.db2.gz AMIVRLRTUJFHGE-UMSPYCQHSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001582558227 1281743591 /nfs/dbraw/zinc/74/35/91/1281743591.db2.gz MNMOTRPCMZUKGH-UHFFFAOYSA-N -2 3 355.145 0.927 20 0 FCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001582558227 1281743597 /nfs/dbraw/zinc/74/35/97/1281743597.db2.gz MNMOTRPCMZUKGH-UHFFFAOYSA-N -2 3 355.145 0.927 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)CC(=O)[O-])ccc1F ZINC001603904850 1287528187 /nfs/dbraw/zinc/52/81/87/1287528187.db2.gz IMHDHBXKOFSTNY-SNVBAGLBSA-N -2 3 362.379 0.078 20 0 FCADHL O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1cccc([O-])c1F ZINC001582630340 1281833324 /nfs/dbraw/zinc/83/33/24/1281833324.db2.gz LJMZZGCAXUXMLU-UHFFFAOYSA-N -2 3 374.336 0.523 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001582751330 1281975909 /nfs/dbraw/zinc/97/59/09/1281975909.db2.gz BNUOUTWLFQVHTN-SNVBAGLBSA-N -2 3 352.358 0.689 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001582751330 1281975919 /nfs/dbraw/zinc/97/59/19/1281975919.db2.gz BNUOUTWLFQVHTN-SNVBAGLBSA-N -2 3 352.358 0.689 20 0 FCADHL O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001582751351 1281976151 /nfs/dbraw/zinc/97/61/51/1281976151.db2.gz CDLSOLUZDMCXIL-RYUDHWBXSA-N -2 3 364.369 0.466 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001582751619 1281976170 /nfs/dbraw/zinc/97/61/70/1281976170.db2.gz OZOWOTRKWUPCFF-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001582751619 1281976173 /nfs/dbraw/zinc/97/61/73/1281976173.db2.gz OZOWOTRKWUPCFF-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001582751610 1281976475 /nfs/dbraw/zinc/97/64/75/1281976475.db2.gz OIUVWJUEMQPQAY-UHFFFAOYSA-N -2 3 367.373 0.110 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001582751610 1281976477 /nfs/dbraw/zinc/97/64/77/1281976477.db2.gz OIUVWJUEMQPQAY-UHFFFAOYSA-N -2 3 367.373 0.110 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001582751828 1281978622 /nfs/dbraw/zinc/97/86/22/1281978622.db2.gz YRYXTKCXIUHDSJ-UHFFFAOYSA-N -2 3 367.373 0.110 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001582751828 1281978626 /nfs/dbraw/zinc/97/86/26/1281978626.db2.gz YRYXTKCXIUHDSJ-UHFFFAOYSA-N -2 3 367.373 0.110 20 0 FCADHL CC(C)Oc1ccc([C@H](O)C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC001603942577 1287541270 /nfs/dbraw/zinc/54/12/70/1287541270.db2.gz XLCRBDGCYWXUBA-CYBMUJFWSA-N -2 3 369.399 0.907 20 0 FCADHL O=S(=O)([N-][C@@H]1CCn2ccnc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582794702 1282014780 /nfs/dbraw/zinc/01/47/80/1282014780.db2.gz VUPOGDVTSPZCKI-SNVBAGLBSA-N -2 3 367.341 0.765 20 0 FCADHL O=S(=O)([N-][C@H]1CCn2ccnc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582794701 1282015944 /nfs/dbraw/zinc/01/59/44/1282015944.db2.gz VUPOGDVTSPZCKI-JTQLQIEISA-N -2 3 367.341 0.765 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001604081785 1287567280 /nfs/dbraw/zinc/56/72/80/1287567280.db2.gz OZTHDZPNHWQKGQ-AWEZNQCLSA-N -2 3 369.378 0.881 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001604081981 1287567735 /nfs/dbraw/zinc/56/77/35/1287567735.db2.gz WVKXJIITCPCMCA-AWEZNQCLSA-N -2 3 366.403 0.588 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001604081981 1287567742 /nfs/dbraw/zinc/56/77/42/1287567742.db2.gz WVKXJIITCPCMCA-AWEZNQCLSA-N -2 3 366.403 0.588 20 0 FCADHL CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001604146009 1287578371 /nfs/dbraw/zinc/57/83/71/1287578371.db2.gz DHVKDPAMTWZIIW-GFCCVEGCSA-N -2 3 353.404 0.628 20 0 FCADHL CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001604146009 1287578373 /nfs/dbraw/zinc/57/83/73/1287578373.db2.gz DHVKDPAMTWZIIW-GFCCVEGCSA-N -2 3 353.404 0.628 20 0 FCADHL CC(C)(CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001589276614 1282826455 /nfs/dbraw/zinc/82/64/55/1282826455.db2.gz WKNAWSDXLNVGFI-UHFFFAOYSA-N -2 3 364.337 0.561 20 0 FCADHL CC(C)(CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001589276614 1282826462 /nfs/dbraw/zinc/82/64/62/1282826462.db2.gz WKNAWSDXLNVGFI-UHFFFAOYSA-N -2 3 364.337 0.561 20 0 FCADHL CC(C)(CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589276559 1282826948 /nfs/dbraw/zinc/82/69/48/1282826948.db2.gz SHHFKYAAKYWAGW-UHFFFAOYSA-N -2 3 364.337 0.561 20 0 FCADHL CC(C)(CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589276559 1282826958 /nfs/dbraw/zinc/82/69/58/1282826958.db2.gz SHHFKYAAKYWAGW-UHFFFAOYSA-N -2 3 364.337 0.561 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589313989 1282838277 /nfs/dbraw/zinc/83/82/77/1282838277.db2.gz MGOXNMVVPRWHEP-UHFFFAOYSA-N -3 3 358.280 0.734 20 0 FCADHL CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589442408 1282882644 /nfs/dbraw/zinc/88/26/44/1282882644.db2.gz QXZQIVYZXLREMD-CYBMUJFWSA-N -2 3 374.401 0.298 20 0 FCADHL CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589442408 1282882654 /nfs/dbraw/zinc/88/26/54/1282882654.db2.gz QXZQIVYZXLREMD-CYBMUJFWSA-N -2 3 374.401 0.298 20 0 FCADHL CC(C)C[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589556615 1282908188 /nfs/dbraw/zinc/90/81/88/1282908188.db2.gz WWKFUOWHSQPJRB-VIFPVBQESA-N -2 3 368.419 0.673 20 0 FCADHL CC(C)C[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589556615 1282908197 /nfs/dbraw/zinc/90/81/97/1282908197.db2.gz WWKFUOWHSQPJRB-VIFPVBQESA-N -2 3 368.419 0.673 20 0 FCADHL CC(C)OCCO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001589749206 1282976889 /nfs/dbraw/zinc/97/68/89/1282976889.db2.gz QTSCIDARLCREIB-UHFFFAOYSA-N -2 3 368.781 0.931 20 0 FCADHL CC(C)OCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001589749206 1282976900 /nfs/dbraw/zinc/97/69/00/1282976900.db2.gz QTSCIDARLCREIB-UHFFFAOYSA-N -2 3 368.781 0.931 20 0 FCADHL CC(C)Oc1ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001589756778 1282981868 /nfs/dbraw/zinc/98/18/68/1282981868.db2.gz SEKFPBBHRGZZJD-HNNXBMFYSA-N -2 3 364.362 0.611 20 0 FCADHL CC(C)Oc1ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001589756778 1282981875 /nfs/dbraw/zinc/98/18/75/1282981875.db2.gz SEKFPBBHRGZZJD-HNNXBMFYSA-N -2 3 364.362 0.611 20 0 FCADHL C[C@@H](CNC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)C(=O)[O-] ZINC001589857634 1283094062 /nfs/dbraw/zinc/09/40/62/1283094062.db2.gz FIQUDMZQZUWKLF-LBPRGKRZSA-N -2 3 373.417 0.415 20 0 FCADHL C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccc(-c2nnn[n-]2)c1 ZINC001589915294 1283126277 /nfs/dbraw/zinc/12/62/77/1283126277.db2.gz YNFYQTMVFWNEFH-DYZYQPBXSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccc(-c2nn[n-]n2)c1 ZINC001589915294 1283126279 /nfs/dbraw/zinc/12/62/79/1283126279.db2.gz YNFYQTMVFWNEFH-DYZYQPBXSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@@](O)(CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589987632 1283158421 /nfs/dbraw/zinc/15/84/21/1283158421.db2.gz BBIANNBINLOYOT-GFCCVEGCSA-N -2 3 374.279 0.843 20 0 FCADHL C[C@@](O)(CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589987632 1283158423 /nfs/dbraw/zinc/15/84/23/1283158423.db2.gz BBIANNBINLOYOT-GFCCVEGCSA-N -2 3 374.279 0.843 20 0 FCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC(F)F ZINC001590024565 1283181064 /nfs/dbraw/zinc/18/10/64/1283181064.db2.gz LMPZAGQVWXZGAF-ZETCQYMHSA-N -2 3 361.330 0.345 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001590099407 1283212151 /nfs/dbraw/zinc/21/21/51/1283212151.db2.gz INWZPHUJDJQODF-LLVKDONJSA-N -2 3 369.378 0.880 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001590101155 1283214401 /nfs/dbraw/zinc/21/44/01/1283214401.db2.gz ZFPMBXUACWHGHE-NSHDSACASA-N -2 3 369.378 0.880 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001590101155 1283214407 /nfs/dbraw/zinc/21/44/07/1283214407.db2.gz ZFPMBXUACWHGHE-NSHDSACASA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CO1 ZINC001590183641 1283289176 /nfs/dbraw/zinc/28/91/76/1283289176.db2.gz OGHBAMMJPFXPDR-JGVFFNPUSA-N -2 3 371.806 0.750 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CO1 ZINC001590183641 1283289183 /nfs/dbraw/zinc/28/91/83/1283289183.db2.gz OGHBAMMJPFXPDR-JGVFFNPUSA-N -2 3 371.806 0.750 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CO1 ZINC001590183888 1283293197 /nfs/dbraw/zinc/29/31/97/1283293197.db2.gz UYOZRARWVAQYDA-JOYOIKCWSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CO1 ZINC001590183888 1283293204 /nfs/dbraw/zinc/29/32/04/1283293204.db2.gz UYOZRARWVAQYDA-JOYOIKCWSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C(=O)[O-] ZINC001590272427 1283400414 /nfs/dbraw/zinc/40/04/14/1283400414.db2.gz PBJKEDNVJUWCJW-GWCFXTLKSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C(=O)[O-] ZINC001590272427 1283400420 /nfs/dbraw/zinc/40/04/20/1283400420.db2.gz PBJKEDNVJUWCJW-GWCFXTLKSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001590274629 1283400775 /nfs/dbraw/zinc/40/07/75/1283400775.db2.gz NPCAJHVTGAXMTD-BDAKNGLRSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001590274629 1283400780 /nfs/dbraw/zinc/40/07/80/1283400780.db2.gz NPCAJHVTGAXMTD-BDAKNGLRSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1C(=O)[O-] ZINC001590272997 1283400839 /nfs/dbraw/zinc/40/08/39/1283400839.db2.gz UIEGWAKSJLWHFD-JOYOIKCWSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@@H]1C(=O)[O-] ZINC001590276693 1283405465 /nfs/dbraw/zinc/40/54/65/1283405465.db2.gz PHGOAKXPDSJABT-CPCISQLKSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC[C@H]1C(=O)[O-] ZINC001590308594 1283451882 /nfs/dbraw/zinc/45/18/82/1283451882.db2.gz HPMZYZWIFWTJBD-JOYOIKCWSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1C(=O)[O-] ZINC001590308594 1283451889 /nfs/dbraw/zinc/45/18/89/1283451889.db2.gz HPMZYZWIFWTJBD-JOYOIKCWSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC[C@H]1C(=O)[O-] ZINC001590315025 1283457978 /nfs/dbraw/zinc/45/79/78/1283457978.db2.gz LDGIYXBDVRNSKV-WCBMZHEXSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[C@H]1C(=O)[O-] ZINC001590315025 1283457981 /nfs/dbraw/zinc/45/79/81/1283457981.db2.gz LDGIYXBDVRNSKV-WCBMZHEXSA-N -2 3 366.403 0.061 20 0 FCADHL CC[C@](C)(CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590381369 1283509544 /nfs/dbraw/zinc/50/95/44/1283509544.db2.gz KAOXYCLZRPUGLM-CYBMUJFWSA-N -2 3 357.367 0.785 20 0 FCADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590409565 1283525681 /nfs/dbraw/zinc/52/56/81/1283525681.db2.gz LTNNJSCRFBAKAW-JTQLQIEISA-N -2 3 353.404 0.882 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)C(=O)[O-] ZINC001590436233 1283534983 /nfs/dbraw/zinc/53/49/83/1283534983.db2.gz JUKWXTCMJLZDMV-JTQLQIEISA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)C(=O)[O-] ZINC001590436233 1283534990 /nfs/dbraw/zinc/53/49/90/1283534990.db2.gz JUKWXTCMJLZDMV-JTQLQIEISA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC)C(=O)[O-] ZINC001590445850 1283541441 /nfs/dbraw/zinc/54/14/41/1283541441.db2.gz AMBCJCQYUAGIGT-MRVPVSSYSA-N -2 3 355.376 0.264 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC)C(=O)[O-] ZINC001590445850 1283541452 /nfs/dbraw/zinc/54/14/52/1283541452.db2.gz AMBCJCQYUAGIGT-MRVPVSSYSA-N -2 3 355.376 0.264 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)CC(=O)[O-] ZINC001590445932 1283542256 /nfs/dbraw/zinc/54/22/56/1283542256.db2.gz DAVFQNPDJCRKIF-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)CC(=O)[O-] ZINC001590445932 1283542265 /nfs/dbraw/zinc/54/22/65/1283542265.db2.gz DAVFQNPDJCRKIF-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL CCC1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)COC1 ZINC001590496628 1283566145 /nfs/dbraw/zinc/56/61/45/1283566145.db2.gz SKJGKCQJLMKGHK-UHFFFAOYSA-N -2 3 359.358 0.850 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590505835 1283574980 /nfs/dbraw/zinc/57/49/80/1283574980.db2.gz WLRAUAPHBIUNKF-JQWIXIFHSA-N -2 3 351.388 0.883 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590505835 1283574991 /nfs/dbraw/zinc/57/49/91/1283574991.db2.gz WLRAUAPHBIUNKF-JQWIXIFHSA-N -2 3 351.388 0.883 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590619886 1283658892 /nfs/dbraw/zinc/65/88/92/1283658892.db2.gz KGVRNQPRVYUOIY-UHFFFAOYSA-N -2 3 364.431 0.601 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590619886 1283658907 /nfs/dbraw/zinc/65/89/07/1283658907.db2.gz KGVRNQPRVYUOIY-UHFFFAOYSA-N -2 3 364.431 0.601 20 0 FCADHL CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001590782075 1283841406 /nfs/dbraw/zinc/84/14/06/1283841406.db2.gz JUOSUPSCGDDZLV-QMMMGPOBSA-N -2 3 357.367 0.377 20 0 FCADHL CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001590782075 1283841413 /nfs/dbraw/zinc/84/14/13/1283841413.db2.gz JUOSUPSCGDDZLV-QMMMGPOBSA-N -2 3 357.367 0.377 20 0 FCADHL CN(CCCNC(=O)c1ccccc1[O-])c1ccnc(-c2nnn[n-]2)n1 ZINC001591074579 1284140242 /nfs/dbraw/zinc/14/02/42/1284140242.db2.gz FCDIIRZEHQPYEH-UHFFFAOYSA-N -2 3 354.374 0.619 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC001591296391 1284449810 /nfs/dbraw/zinc/44/98/10/1284449810.db2.gz JFRNLHJTYXXVNY-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC001591296391 1284449815 /nfs/dbraw/zinc/44/98/15/1284449815.db2.gz JFRNLHJTYXXVNY-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC001591309305 1284460218 /nfs/dbraw/zinc/46/02/18/1284460218.db2.gz LRXQOTGHWWGAJG-UHFFFAOYSA-N -2 3 369.388 0.547 20 0 FCADHL CO[C@@H](C(=O)[O-])C(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591315185 1284463748 /nfs/dbraw/zinc/46/37/48/1284463748.db2.gz GIOXFPJXDFVXMZ-BDAKNGLRSA-N -2 3 359.264 0.686 20 0 FCADHL CO[C@@H](C(=O)[O-])C(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591315185 1284463753 /nfs/dbraw/zinc/46/37/53/1284463753.db2.gz GIOXFPJXDFVXMZ-BDAKNGLRSA-N -2 3 359.264 0.686 20 0 FCADHL CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591321253 1284469625 /nfs/dbraw/zinc/46/96/25/1284469625.db2.gz NRAGVMICDZQSGR-JTQLQIEISA-N -2 3 353.404 0.628 20 0 FCADHL CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591321253 1284469632 /nfs/dbraw/zinc/46/96/32/1284469632.db2.gz NRAGVMICDZQSGR-JTQLQIEISA-N -2 3 353.404 0.628 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1sccc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC001591333263 1284474942 /nfs/dbraw/zinc/47/49/42/1284474942.db2.gz KJKSROOCJFUDEV-WPRPVWTQSA-N -2 3 359.433 0.721 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001591374991 1284511235 /nfs/dbraw/zinc/51/12/35/1284511235.db2.gz INBIJIORDFOMID-JIMOISOXSA-N -2 3 365.415 0.451 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001591374991 1284511240 /nfs/dbraw/zinc/51/12/40/1284511240.db2.gz INBIJIORDFOMID-JIMOISOXSA-N -2 3 365.415 0.451 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001591376655 1284516715 /nfs/dbraw/zinc/51/67/15/1284516715.db2.gz XBFLZRCYYQSIDB-SECBINFHSA-N -2 3 368.419 0.027 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001591376655 1284516721 /nfs/dbraw/zinc/51/67/21/1284516721.db2.gz XBFLZRCYYQSIDB-SECBINFHSA-N -2 3 368.419 0.027 20 0 FCADHL COCCO[N-]C(=O)COc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001591439247 1284594246 /nfs/dbraw/zinc/59/42/46/1284594246.db2.gz GYHOHFATYOGPGC-UHFFFAOYSA-N -2 3 372.179 0.702 20 0 FCADHL COCCO[N-]C(=O)COc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001591439247 1284594254 /nfs/dbraw/zinc/59/42/54/1284594254.db2.gz GYHOHFATYOGPGC-UHFFFAOYSA-N -2 3 372.179 0.702 20 0 FCADHL COCCn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)ccc1=O ZINC001591450993 1284612881 /nfs/dbraw/zinc/61/28/81/1284612881.db2.gz ZYGWRLGRLIVUEE-UHFFFAOYSA-N -2 3 366.359 0.069 20 0 FCADHL COCCn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)ccc1=O ZINC001591450993 1284612886 /nfs/dbraw/zinc/61/28/86/1284612886.db2.gz ZYGWRLGRLIVUEE-UHFFFAOYSA-N -2 3 366.359 0.069 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001591497229 1284674411 /nfs/dbraw/zinc/67/44/11/1284674411.db2.gz SCDHAHXKVJMRHP-NSHDSACASA-N -2 3 361.358 0.720 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001591505413 1284688652 /nfs/dbraw/zinc/68/86/52/1284688652.db2.gz HCHRNQQDEIIQTE-VIFPVBQESA-N -2 3 353.360 0.113 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001591505413 1284688665 /nfs/dbraw/zinc/68/86/65/1284688665.db2.gz HCHRNQQDEIIQTE-VIFPVBQESA-N -2 3 353.360 0.113 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ncn(C(C)C)n1 ZINC001591506989 1284693111 /nfs/dbraw/zinc/69/31/11/1284693111.db2.gz UHGQATAZMLZDIG-UHFFFAOYSA-N -2 3 364.391 0.849 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ncn(C(C)C)n1 ZINC001591506989 1284693122 /nfs/dbraw/zinc/69/31/22/1284693122.db2.gz UHGQATAZMLZDIG-UHFFFAOYSA-N -2 3 364.391 0.849 20 0 FCADHL COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC001591523135 1284710441 /nfs/dbraw/zinc/71/04/41/1284710441.db2.gz RWVASBQBZIMSLB-UHFFFAOYSA-N -2 3 368.404 0.341 20 0 FCADHL COc1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(F)cc1-c1nn[n-]n1 ZINC001591547381 1284728065 /nfs/dbraw/zinc/72/80/65/1284728065.db2.gz RZIVWIPEAUGUMJ-QMMMGPOBSA-N -2 3 357.367 0.935 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001591679727 1284818775 /nfs/dbraw/zinc/81/87/75/1284818775.db2.gz YWWMTZYIOTVPJZ-UHFFFAOYSA-N -2 3 359.371 0.886 20 0 FCADHL CS(=O)(=O)[N-]c1ccccc1C(=O)NOc1cccc(-c2nnn[n-]2)c1 ZINC001591679777 1284819113 /nfs/dbraw/zinc/81/91/13/1284819113.db2.gz BMGGIZHVTHXHKA-UHFFFAOYSA-N -2 3 374.382 0.962 20 0 FCADHL CS(=O)(=O)[N-]c1ccccc1C(=O)NOc1cccc(-c2nn[n-]n2)c1 ZINC001591679777 1284819118 /nfs/dbraw/zinc/81/91/18/1284819118.db2.gz BMGGIZHVTHXHKA-UHFFFAOYSA-N -2 3 374.382 0.962 20 0 FCADHL CSCC[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001591700786 1284840467 /nfs/dbraw/zinc/84/04/67/1284840467.db2.gz VBQWXPLMESZGGU-SECBINFHSA-N -2 3 357.417 0.351 20 0 FCADHL CSCC[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001591700786 1284840476 /nfs/dbraw/zinc/84/04/76/1284840476.db2.gz VBQWXPLMESZGGU-SECBINFHSA-N -2 3 357.417 0.351 20 0 FCADHL CSc1nc(=O)n(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)[n-]1 ZINC001591721361 1284851836 /nfs/dbraw/zinc/85/18/36/1284851836.db2.gz XMSVHXSICOJSCC-UHFFFAOYSA-N -2 3 366.794 0.766 20 0 FCADHL CSc1nc(=O)n(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)[n-]1 ZINC001591721361 1284851844 /nfs/dbraw/zinc/85/18/44/1284851844.db2.gz XMSVHXSICOJSCC-UHFFFAOYSA-N -2 3 366.794 0.766 20 0 FCADHL CSc1ncc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)c(=O)[n-]1 ZINC001591719073 1284852818 /nfs/dbraw/zinc/85/28/18/1284852818.db2.gz VFUVSOOPMKKBTO-UHFFFAOYSA-N -2 3 373.402 0.321 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC001591870813 1284957381 /nfs/dbraw/zinc/95/73/81/1284957381.db2.gz SYPCQCMOXXXICO-WCBMZHEXSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC001591870813 1284957385 /nfs/dbraw/zinc/95/73/85/1284957385.db2.gz SYPCQCMOXXXICO-WCBMZHEXSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001591873366 1284959106 /nfs/dbraw/zinc/95/91/06/1284959106.db2.gz PQVFBPJCUHYIJY-UHFFFAOYSA-N -2 3 367.387 0.087 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001591873366 1284959113 /nfs/dbraw/zinc/95/91/13/1284959113.db2.gz PQVFBPJCUHYIJY-UHFFFAOYSA-N -2 3 367.387 0.087 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc(-c2nnn[n-]2)c1 ZINC001592014389 1285068113 /nfs/dbraw/zinc/06/81/13/1285068113.db2.gz OXHJQLPDFOZIFM-NSHDSACASA-N -2 3 372.385 0.827 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc(-c2nn[n-]n2)c1 ZINC001592014389 1285068123 /nfs/dbraw/zinc/06/81/23/1285068123.db2.gz OXHJQLPDFOZIFM-NSHDSACASA-N -2 3 372.385 0.827 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001592101661 1285139118 /nfs/dbraw/zinc/13/91/18/1285139118.db2.gz BIFRNDIVWPSQRG-GFCCVEGCSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001592101661 1285139146 /nfs/dbraw/zinc/13/91/46/1285139146.db2.gz BIFRNDIVWPSQRG-GFCCVEGCSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001592109644 1285142985 /nfs/dbraw/zinc/14/29/85/1285142985.db2.gz VRISPWLYOHARRL-CKYFFXLPSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001592109644 1285142996 /nfs/dbraw/zinc/14/29/96/1285142996.db2.gz VRISPWLYOHARRL-CKYFFXLPSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC001592109164 1285144098 /nfs/dbraw/zinc/14/40/98/1285144098.db2.gz DCKQDZPYBAKGIW-MDZLAQPJSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC001592109164 1285144103 /nfs/dbraw/zinc/14/41/03/1285144103.db2.gz DCKQDZPYBAKGIW-MDZLAQPJSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC001592111453 1285149020 /nfs/dbraw/zinc/14/90/20/1285149020.db2.gz UMAJHONNXOTUSQ-NSHDSACASA-N -2 3 369.403 0.332 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(-c2nnn[n-]2)c1 ZINC001592189432 1285173207 /nfs/dbraw/zinc/17/32/07/1285173207.db2.gz CBWBYFGSZVAAHM-GHMZBOCLSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(-c2nn[n-]n2)c1 ZINC001592189432 1285173211 /nfs/dbraw/zinc/17/32/11/1285173211.db2.gz CBWBYFGSZVAAHM-GHMZBOCLSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC001592214273 1285184258 /nfs/dbraw/zinc/18/42/58/1285184258.db2.gz PAKDVTSOFOZNNO-WCBMZHEXSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC001592214273 1285184261 /nfs/dbraw/zinc/18/42/61/1285184261.db2.gz PAKDVTSOFOZNNO-WCBMZHEXSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(S(=O)(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001592240228 1285195307 /nfs/dbraw/zinc/19/53/07/1285195307.db2.gz YPJQCZZNYLXUEN-RKDXNWHRSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(S(=O)(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001592240228 1285195316 /nfs/dbraw/zinc/19/53/16/1285195316.db2.gz YPJQCZZNYLXUEN-RKDXNWHRSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592239205 1285196306 /nfs/dbraw/zinc/19/63/06/1285196306.db2.gz JDQPZUXJPPXBPX-CQSZACIVSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])c1-c1nn[n-]n1 ZINC001592239205 1285196308 /nfs/dbraw/zinc/19/63/08/1285196308.db2.gz JDQPZUXJPPXBPX-CQSZACIVSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592241711 1285198704 /nfs/dbraw/zinc/19/87/04/1285198704.db2.gz UTUVDQYRQLEWSA-ZETCQYMHSA-N -2 3 361.330 0.562 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])c1-c1nn[n-]n1 ZINC001592241711 1285198715 /nfs/dbraw/zinc/19/87/15/1285198715.db2.gz UTUVDQYRQLEWSA-ZETCQYMHSA-N -2 3 361.330 0.562 20 0 FCADHL Cc1nc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC001592350198 1285264491 /nfs/dbraw/zinc/26/44/91/1285264491.db2.gz RJQZAOJEWAMBPK-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1nc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC001592350198 1285264509 /nfs/dbraw/zinc/26/45/09/1285264509.db2.gz RJQZAOJEWAMBPK-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)ccc1-c1nnn[n-]1 ZINC001592377353 1285289413 /nfs/dbraw/zinc/28/94/13/1285289413.db2.gz MXTUYGWQNQNACX-UHFFFAOYSA-N -2 3 373.373 0.222 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)ccc1-c1nn[n-]n1 ZINC001592377353 1285289421 /nfs/dbraw/zinc/28/94/21/1285289421.db2.gz MXTUYGWQNQNACX-UHFFFAOYSA-N -2 3 373.373 0.222 20 0 FCADHL Cc1[nH]nc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1-c1nnn[n-]1 ZINC001592402104 1285311675 /nfs/dbraw/zinc/31/16/75/1285311675.db2.gz OLULMALCCVEKPQ-UHFFFAOYSA-N -2 3 368.361 0.445 20 0 FCADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592430513 1285362594 /nfs/dbraw/zinc/36/25/94/1285362594.db2.gz KWNWZOWPXBGJEL-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592430513 1285362604 /nfs/dbraw/zinc/36/26/04/1285362604.db2.gz KWNWZOWPXBGJEL-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001592569596 1285485963 /nfs/dbraw/zinc/48/59/63/1285485963.db2.gz HTHOGCYMSLNCJM-GHMZBOCLSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001592569596 1285485968 /nfs/dbraw/zinc/48/59/68/1285485968.db2.gz HTHOGCYMSLNCJM-GHMZBOCLSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC001592599563 1285532345 /nfs/dbraw/zinc/53/23/45/1285532345.db2.gz GJTHTVLXXMSBJO-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC001592599563 1285532349 /nfs/dbraw/zinc/53/23/49/1285532349.db2.gz GJTHTVLXXMSBJO-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL Cn1ncc2cc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)cnc21 ZINC001592603059 1285539299 /nfs/dbraw/zinc/53/92/99/1285539299.db2.gz DMRZJWNHBQSDBQ-UHFFFAOYSA-N -2 3 372.370 0.655 20 0 FCADHL CCc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC001609249859 1289019998 /nfs/dbraw/zinc/01/99/98/1289019998.db2.gz VUHSGFHORNBFTF-UHFFFAOYSA-N -2 3 361.387 0.281 20 0 FCADHL CCc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC001609249859 1289020004 /nfs/dbraw/zinc/02/00/04/1289020004.db2.gz VUHSGFHORNBFTF-UHFFFAOYSA-N -2 3 361.387 0.281 20 0 FCADHL CCn1cnc(S(=O)(=O)[N-]c2nc3n(c2-c2nnn[n-]2)CCS3)c1 ZINC001609258718 1289024292 /nfs/dbraw/zinc/02/42/92/1289024292.db2.gz RCFYTTMPBRWXPS-UHFFFAOYSA-N -2 3 367.420 0.186 20 0 FCADHL CCn1cnc(S(=O)(=O)[N-]c2nc3n(c2-c2nn[n-]n2)CCS3)c1 ZINC001609258718 1289024299 /nfs/dbraw/zinc/02/42/99/1289024299.db2.gz RCFYTTMPBRWXPS-UHFFFAOYSA-N -2 3 367.420 0.186 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]c2c(-c3nnn[n-]3)cnn2CC)nc1C ZINC001609258807 1289025220 /nfs/dbraw/zinc/02/52/20/1289025220.db2.gz JLLACLRXYCNVIT-UHFFFAOYSA-N -2 3 351.396 0.409 20 0 FCADHL O=C(C=Cc1ccncn1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592802416 1285723376 /nfs/dbraw/zinc/72/33/76/1285723376.db2.gz SOVDSUBARMYYBG-SNAWJCMRSA-N -2 3 357.355 0.175 20 0 FCADHL O=C(C=Cc1ccncn1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592802416 1285723382 /nfs/dbraw/zinc/72/33/82/1285723382.db2.gz SOVDSUBARMYYBG-SNAWJCMRSA-N -2 3 357.355 0.175 20 0 FCADHL O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N-]Oc1ccccc1F ZINC001592872151 1285779919 /nfs/dbraw/zinc/77/99/19/1285779919.db2.gz QBRVBFQTDQRGOH-UHFFFAOYSA-N -2 3 356.317 0.846 20 0 FCADHL O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N-]Oc1ccccc1F ZINC001592872151 1285779923 /nfs/dbraw/zinc/77/99/23/1285779923.db2.gz QBRVBFQTDQRGOH-UHFFFAOYSA-N -2 3 356.317 0.846 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[N-]OCC(F)F ZINC001592901632 1285803862 /nfs/dbraw/zinc/80/38/62/1285803862.db2.gz LSNNBGMXMLMNEX-UHFFFAOYSA-N -2 3 361.330 0.094 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[N-]OCC(F)F ZINC001592901632 1285803869 /nfs/dbraw/zinc/80/38/69/1285803869.db2.gz LSNNBGMXMLMNEX-UHFFFAOYSA-N -2 3 361.330 0.094 20 0 FCADHL CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001609277780 1289041656 /nfs/dbraw/zinc/04/16/56/1289041656.db2.gz AJTWXDYMCNFXNR-UHFFFAOYSA-N -2 3 374.401 0.890 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001593168861 1286025744 /nfs/dbraw/zinc/02/57/44/1286025744.db2.gz FOEYIPNYFPWCCI-MRVPVSSYSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001593168861 1286025748 /nfs/dbraw/zinc/02/57/48/1286025748.db2.gz FOEYIPNYFPWCCI-MRVPVSSYSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([N-]S(=O)(=O)c1cnn(CC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001593172780 1286026685 /nfs/dbraw/zinc/02/66/85/1286026685.db2.gz OKQYDSLPGIMTGA-UHFFFAOYSA-N -2 3 373.398 0.592 20 0 FCADHL O=C([N-]S(=O)(=O)c1cnn(CC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001593172780 1286026690 /nfs/dbraw/zinc/02/66/90/1286026690.db2.gz OKQYDSLPGIMTGA-UHFFFAOYSA-N -2 3 373.398 0.592 20 0 FCADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001593244032 1286050249 /nfs/dbraw/zinc/05/02/49/1286050249.db2.gz PZSGEZDPYGRJDX-UHFFFAOYSA-N -2 3 364.325 0.699 20 0 FCADHL O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593272856 1286057610 /nfs/dbraw/zinc/05/76/10/1286057610.db2.gz CUPCUDVQIBZVEI-QMMMGPOBSA-N -2 3 357.417 0.946 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001593274574 1286058218 /nfs/dbraw/zinc/05/82/18/1286058218.db2.gz NZDYOAFDMPFTQL-SFYZADRCSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001593274574 1286058222 /nfs/dbraw/zinc/05/82/22/1286058222.db2.gz NZDYOAFDMPFTQL-SFYZADRCSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001593275503 1286059042 /nfs/dbraw/zinc/05/90/42/1286059042.db2.gz CCNNEXPIJJCKMO-SECBINFHSA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001593275503 1286059048 /nfs/dbraw/zinc/05/90/48/1286059048.db2.gz CCNNEXPIJJCKMO-SECBINFHSA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001593276373 1286059472 /nfs/dbraw/zinc/05/94/72/1286059472.db2.gz LTMPTUYWXYPYTK-CYBMUJFWSA-N -2 3 359.367 0.971 20 0 FCADHL O=C([O-])[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001593276373 1286059478 /nfs/dbraw/zinc/05/94/78/1286059478.db2.gz LTMPTUYWXYPYTK-CYBMUJFWSA-N -2 3 359.367 0.971 20 0 FCADHL O=C([O-])[C@H](CCF)NS(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001593276645 1286060375 /nfs/dbraw/zinc/06/03/75/1286060375.db2.gz RIBNUZYPQPSWHS-QMMMGPOBSA-N -2 3 363.758 0.611 20 0 FCADHL O=C([O-])[C@H](CCF)NS(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001593276645 1286060379 /nfs/dbraw/zinc/06/03/79/1286060379.db2.gz RIBNUZYPQPSWHS-QMMMGPOBSA-N -2 3 363.758 0.611 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)CC12CCC2 ZINC001593276682 1286060896 /nfs/dbraw/zinc/06/08/96/1286060896.db2.gz NQPGVDXIZDNANK-NSHDSACASA-N -2 3 367.362 0.634 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)CC12CCC2 ZINC001593276682 1286060897 /nfs/dbraw/zinc/06/08/97/1286060897.db2.gz NQPGVDXIZDNANK-NSHDSACASA-N -2 3 367.362 0.634 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001593279605 1286062944 /nfs/dbraw/zinc/06/29/44/1286062944.db2.gz TTWKVLDMEDTDNB-APPZFPTMSA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])c1cccnc1N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001593282732 1286064832 /nfs/dbraw/zinc/06/48/32/1286064832.db2.gz CRVAWXJFJICONL-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])c1cccnc1N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001593282732 1286064834 /nfs/dbraw/zinc/06/48/34/1286064834.db2.gz CRVAWXJFJICONL-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C(Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1)c1cc(=O)[nH][n-]1 ZINC001593382886 1286101933 /nfs/dbraw/zinc/10/19/33/1286101933.db2.gz KMDHEAXOOGFYHY-UHFFFAOYSA-N -2 3 355.236 0.580 20 0 FCADHL O=C(Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1)c1cc(=O)[nH][n-]1 ZINC001593382886 1286101941 /nfs/dbraw/zinc/10/19/41/1286101941.db2.gz KMDHEAXOOGFYHY-UHFFFAOYSA-N -2 3 355.236 0.580 20 0 FCADHL O=C1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCN1 ZINC001593390649 1286110380 /nfs/dbraw/zinc/11/03/80/1286110380.db2.gz OCZGTAROAOMFPT-MRVPVSSYSA-N -2 3 372.357 0.092 20 0 FCADHL O=S(=O)([N-]c1cccc2c1OCC[C@H]2O)c1cncc(-c2nnn[n-]2)c1 ZINC001593445051 1286160108 /nfs/dbraw/zinc/16/01/08/1286160108.db2.gz DPKTYPLAJCPAOD-CYBMUJFWSA-N -2 3 374.382 0.878 20 0 FCADHL O=S(=O)([N-]c1cccc2c1OCC[C@H]2O)c1cncc(-c2nn[n-]n2)c1 ZINC001593445051 1286160112 /nfs/dbraw/zinc/16/01/12/1286160112.db2.gz DPKTYPLAJCPAOD-CYBMUJFWSA-N -2 3 374.382 0.878 20 0 FCADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001609289063 1289055928 /nfs/dbraw/zinc/05/59/28/1289055928.db2.gz GULPYLAZGPEQHN-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001609289063 1289055935 /nfs/dbraw/zinc/05/59/35/1289055935.db2.gz GULPYLAZGPEQHN-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL O=c1cc(CN2CCC[C@H]2c2ncccn2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593538771 1286199861 /nfs/dbraw/zinc/19/98/61/1286199861.db2.gz FIDKTSAVQGDOAT-LBPRGKRZSA-N -2 3 364.373 0.742 20 0 FCADHL O=c1cc(CSc2nccn3ccnc23)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593539151 1286200281 /nfs/dbraw/zinc/20/02/81/1286200281.db2.gz JQFKULHPHWEMAO-UHFFFAOYSA-N -2 3 366.370 0.950 20 0 FCADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCOCC2)oc1C(=O)[O-] ZINC001600297950 1286471802 /nfs/dbraw/zinc/47/18/02/1286471802.db2.gz VKVGBFGHUPSBLJ-SNVBAGLBSA-N -3 3 361.372 0.834 20 0 FCADHL COC(=O)c1coc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2O)c1 ZINC001609306376 1289078813 /nfs/dbraw/zinc/07/88/13/1289078813.db2.gz HIHSGVFEVIBVAA-UHFFFAOYSA-N -2 3 365.327 0.753 20 0 FCADHL COC(=O)c1coc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC001609306376 1289078819 /nfs/dbraw/zinc/07/88/19/1289078819.db2.gz HIHSGVFEVIBVAA-UHFFFAOYSA-N -2 3 365.327 0.753 20 0 FCADHL Cc1nc(CNC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)n[nH]1 ZINC001600671001 1286522204 /nfs/dbraw/zinc/52/22/04/1286522204.db2.gz PXCFNDNZEQDNKD-UHFFFAOYSA-N -2 3 356.342 0.149 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](O)COc2ccc(F)cc2)c1C(=O)[O-] ZINC001600673066 1286523999 /nfs/dbraw/zinc/52/39/99/1286523999.db2.gz MGRLBBQGOQGPBZ-SNVBAGLBSA-N -2 3 373.362 0.274 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@H]23)c1C(=O)[O-] ZINC001600672560 1286524072 /nfs/dbraw/zinc/52/40/72/1286524072.db2.gz FZEZGWDWDGUNAG-VHSXEESVSA-N -2 3 360.461 0.274 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CC(=O)c3ccccc3O2)c1C(=O)[O-] ZINC001600672734 1286524104 /nfs/dbraw/zinc/52/41/04/1286524104.db2.gz IOBINZMHFRAVHD-SECBINFHSA-N -2 3 365.367 0.729 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1C(=O)[O-] ZINC001600673632 1286524877 /nfs/dbraw/zinc/52/48/77/1286524877.db2.gz SADUIOVECRQZCK-LPEHRKFASA-N -2 3 360.436 0.192 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccccc2)c1C(=O)[O-] ZINC001600673460 1286524971 /nfs/dbraw/zinc/52/49/71/1286524971.db2.gz QVTUXCGCWYMPGD-BLLLJJGKSA-N -2 3 365.411 0.861 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)c1C(=O)[O-] ZINC001600674294 1286526265 /nfs/dbraw/zinc/52/62/65/1286526265.db2.gz YBRWASAOPNWBER-JTQLQIEISA-N -2 3 361.326 0.706 20 0 FCADHL Cc1nc(C)c(CCC(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)c(=O)[n-]1 ZINC001600691966 1286527695 /nfs/dbraw/zinc/52/76/95/1286527695.db2.gz XXYZDHSTYVYDCA-UHFFFAOYSA-N -2 3 374.401 0.885 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2COC3(CCOCC3)O2)cc1C(=O)[O-] ZINC001600858004 1286558832 /nfs/dbraw/zinc/55/88/32/1286558832.db2.gz QHNAHMQAOVTPKJ-SNVBAGLBSA-N -2 3 361.372 0.487 20 0 FCADHL Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3scnc3C(=O)[O-])C2)cn1 ZINC001600958053 1286579789 /nfs/dbraw/zinc/57/97/89/1286579789.db2.gz GMNNDTMKBFEMQE-SECBINFHSA-N -2 3 371.444 0.522 20 0 FCADHL COCC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609316244 1289086922 /nfs/dbraw/zinc/08/69/22/1289086922.db2.gz OGNYSEKFXZQBKF-UHFFFAOYSA-N -2 3 367.431 0.875 20 0 FCADHL COCC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609316244 1289086928 /nfs/dbraw/zinc/08/69/28/1289086928.db2.gz OGNYSEKFXZQBKF-UHFFFAOYSA-N -2 3 367.431 0.875 20 0 FCADHL NC(=O)[C@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001601136765 1286644823 /nfs/dbraw/zinc/64/48/23/1286644823.db2.gz DXMXASCAWHWIKL-JTQLQIEISA-N -2 3 370.358 0.739 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCC(=O)NCc1cccnc1 ZINC001601278722 1286710941 /nfs/dbraw/zinc/71/09/41/1286710941.db2.gz JXDWSBRSXAMUPO-UHFFFAOYSA-N -2 3 370.412 0.221 20 0 FCADHL O=C([O-])[C@H]1CCCN(CC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)C1=O ZINC001601309957 1286720926 /nfs/dbraw/zinc/72/09/26/1286720926.db2.gz GTTXKPRLICGLKJ-LBPRGKRZSA-N -2 3 362.386 0.389 20 0 FCADHL COCCOCCS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1OC ZINC001609327812 1289100840 /nfs/dbraw/zinc/10/08/40/1289100840.db2.gz HGLAUPGUZBBIPC-UHFFFAOYSA-N -2 3 357.392 0.280 20 0 FCADHL O=C([O-])[C@@H](CCC1OCCO1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001601645322 1286799053 /nfs/dbraw/zinc/79/90/53/1286799053.db2.gz PVJFPXVCHMUUQE-SNVBAGLBSA-N -2 3 369.317 0.989 20 0 FCADHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC001602118459 1286940655 /nfs/dbraw/zinc/94/06/55/1286940655.db2.gz FULSSMKOIXRGJK-UHFFFAOYSA-N -3 3 353.356 0.256 20 0 FCADHL O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001602195198 1286963088 /nfs/dbraw/zinc/96/30/88/1286963088.db2.gz XTURHWYRRRSUOC-OPRDCNLKSA-N -2 3 351.325 0.807 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CC(=O)N(CC3CC3)C2)c1F ZINC001602228412 1286972170 /nfs/dbraw/zinc/97/21/70/1286972170.db2.gz OBWKUPRKDJPQON-VIFPVBQESA-N -2 3 374.365 0.952 20 0 FCADHL O=C([O-])c1cc(Cn2cc(I)c(=O)[n-]c2=O)on1 ZINC001602268395 1286978720 /nfs/dbraw/zinc/97/87/20/1286978720.db2.gz HVFMAXBYPRTLNU-UHFFFAOYSA-N -2 3 363.067 0.288 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c(F)cc1Cl ZINC001602295373 1286986377 /nfs/dbraw/zinc/98/63/77/1286986377.db2.gz UXYZMJZIUKJECY-QMMMGPOBSA-N -3 3 355.727 0.291 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1N1CCOCC1 ZINC001602488116 1287010961 /nfs/dbraw/zinc/01/09/61/1287010961.db2.gz CMSGLCJGDVSSPV-QWHCGFSZSA-N -2 3 358.416 0.900 20 0 FCADHL O=C([O-])c1ccsc1N1CC[C@@H]([N-]S(=O)(=O)c2cscn2)C1=O ZINC001602490161 1287011090 /nfs/dbraw/zinc/01/10/90/1287011090.db2.gz KYIQVTXSESNONE-MRVPVSSYSA-N -2 3 373.437 0.987 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001602506580 1287016675 /nfs/dbraw/zinc/01/66/75/1287016675.db2.gz FKEJYRIZTHLXEO-UHFFFAOYSA-N -2 3 361.282 0.908 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccncc2)C1 ZINC001602506763 1287018567 /nfs/dbraw/zinc/01/85/67/1287018567.db2.gz PVVURQYOLZCROZ-JQWIXIFHSA-N -2 3 352.372 0.702 20 0 FCADHL COc1nc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc(=O)[n-]1 ZINC001609365402 1289119359 /nfs/dbraw/zinc/11/93/59/1289119359.db2.gz VOBCHFDSXXWYDG-UHFFFAOYSA-N -2 3 372.341 0.997 20 0 FCADHL COc1nc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc(=O)[n-]1 ZINC001609365402 1289119362 /nfs/dbraw/zinc/11/93/62/1289119362.db2.gz VOBCHFDSXXWYDG-UHFFFAOYSA-N -2 3 372.341 0.997 20 0 FCADHL O=C([O-])c1cncc(S(=O)(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001602542867 1287022863 /nfs/dbraw/zinc/02/28/63/1287022863.db2.gz PRQGRXHACRFGFM-UHFFFAOYSA-N -2 3 350.356 0.631 20 0 FCADHL O=C([O-])C(F)=C(NCc1ccccc1F)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602656117 1287052187 /nfs/dbraw/zinc/05/21/87/1287052187.db2.gz KTBHGFQDCWYHPO-SECBINFHSA-N -3 3 355.322 0.123 20 0 FCADHL COC(=O)c1cncc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001604989875 1287827167 /nfs/dbraw/zinc/82/71/67/1287827167.db2.gz XFFGJGZNXKVUSL-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1cncc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001604989875 1287827172 /nfs/dbraw/zinc/82/71/72/1287827172.db2.gz XFFGJGZNXKVUSL-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C)c(-c2nn[n-]n2)cn1)[C@H]1CCOC1 ZINC001605013524 1287837502 /nfs/dbraw/zinc/83/75/02/1287837502.db2.gz ZQYRVYDBQOOJKH-CMPLNLGQSA-N -2 3 368.419 0.363 20 0 FCADHL CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001605030549 1287841436 /nfs/dbraw/zinc/84/14/36/1287841436.db2.gz NBSLMSBSJKMVPB-CHWSQXEVSA-N -2 3 365.415 0.877 20 0 FCADHL CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001605030549 1287841442 /nfs/dbraw/zinc/84/14/42/1287841442.db2.gz NBSLMSBSJKMVPB-CHWSQXEVSA-N -2 3 365.415 0.877 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2c(C)cccc2-c2nnn[n-]2)n1 ZINC001605125593 1287891227 /nfs/dbraw/zinc/89/12/27/1287891227.db2.gz RHRCUENDFMFEAQ-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)n1 ZINC001605125593 1287891237 /nfs/dbraw/zinc/89/12/37/1287891237.db2.gz RHRCUENDFMFEAQ-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001605259429 1287918183 /nfs/dbraw/zinc/91/81/83/1287918183.db2.gz POQDDIVKXDGYAX-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001605259429 1287918188 /nfs/dbraw/zinc/91/81/88/1287918188.db2.gz POQDDIVKXDGYAX-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609419582 1289145509 /nfs/dbraw/zinc/14/55/09/1289145509.db2.gz PFNJENWYWXQOKP-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609419582 1289145513 /nfs/dbraw/zinc/14/55/13/1289145513.db2.gz PFNJENWYWXQOKP-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cc1c(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)cnn1C ZINC001605500121 1287983745 /nfs/dbraw/zinc/98/37/45/1287983745.db2.gz LWNZCEUAKQPPQJ-UHFFFAOYSA-N -2 3 353.389 0.089 20 0 FCADHL Cc1c(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)cnn1C ZINC001605500121 1287983751 /nfs/dbraw/zinc/98/37/51/1287983751.db2.gz LWNZCEUAKQPPQJ-UHFFFAOYSA-N -2 3 353.389 0.089 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001605545558 1287994241 /nfs/dbraw/zinc/99/42/41/1287994241.db2.gz DKDYSCNNQFAJRX-LLVKDONJSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001605545558 1287994245 /nfs/dbraw/zinc/99/42/45/1287994245.db2.gz DKDYSCNNQFAJRX-LLVKDONJSA-N -2 3 351.388 0.660 20 0 FCADHL CCOCCS(=O)(=O)[N-]Cc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001605640480 1288043205 /nfs/dbraw/zinc/04/32/05/1288043205.db2.gz HQZWSWCJEPXFSX-UHFFFAOYSA-N -2 3 355.372 0.891 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001605801784 1288089316 /nfs/dbraw/zinc/08/93/16/1288089316.db2.gz UITCLMQGIUTNGB-GFCCVEGCSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001605801784 1288089324 /nfs/dbraw/zinc/08/93/24/1288089324.db2.gz UITCLMQGIUTNGB-GFCCVEGCSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C2CC2)no1 ZINC001609448499 1289156797 /nfs/dbraw/zinc/15/67/97/1289156797.db2.gz IXVRBHXGTDUCCT-ZDUSSCGKSA-N -2 3 365.375 0.755 20 0 FCADHL Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C2CC2)no1 ZINC001609448499 1289156800 /nfs/dbraw/zinc/15/68/00/1289156800.db2.gz IXVRBHXGTDUCCT-ZDUSSCGKSA-N -2 3 365.375 0.755 20 0 FCADHL Cc1ncc(S(=O)(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001606091782 1288160383 /nfs/dbraw/zinc/16/03/83/1288160383.db2.gz RMMFYTDXLKUMTF-SNVBAGLBSA-N -2 3 368.419 0.595 20 0 FCADHL Cc1ncc(S(=O)(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001606091782 1288160388 /nfs/dbraw/zinc/16/03/88/1288160388.db2.gz RMMFYTDXLKUMTF-SNVBAGLBSA-N -2 3 368.419 0.595 20 0 FCADHL CN1CCN(CCN(CC(=O)[O-])C(=O)c2cc(F)cc(F)c2[O-])CC1 ZINC001606241178 1288228652 /nfs/dbraw/zinc/22/86/52/1288228652.db2.gz JTJNKTNSTATQSG-UHFFFAOYSA-N -2 3 357.357 0.445 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001606282790 1288252695 /nfs/dbraw/zinc/25/26/95/1288252695.db2.gz XWBJIMOAUJLQJJ-UHFFFAOYSA-N -2 3 373.398 0.137 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001606282790 1288252701 /nfs/dbraw/zinc/25/27/01/1288252701.db2.gz XWBJIMOAUJLQJJ-UHFFFAOYSA-N -2 3 373.398 0.137 20 0 FCADHL COC(=O)[C@H]1CN(C(=O)c2cc(OC)c([O-])c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001606420004 1288302472 /nfs/dbraw/zinc/30/24/72/1288302472.db2.gz GXMCZYBGOFNDEC-UWVGGRQHSA-N -2 3 353.327 0.355 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001609478664 1289171395 /nfs/dbraw/zinc/17/13/95/1289171395.db2.gz MUPHXXZIKVBPBM-DAXSKMNVSA-N -2 3 373.398 0.260 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001609478664 1289171401 /nfs/dbraw/zinc/17/14/01/1289171401.db2.gz MUPHXXZIKVBPBM-DAXSKMNVSA-N -2 3 373.398 0.260 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001606524883 1288361878 /nfs/dbraw/zinc/36/18/78/1288361878.db2.gz DTIUNQXENMHEEX-PWRNUNNXSA-N -2 3 359.404 0.817 20 0 FCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC001609482197 1289176451 /nfs/dbraw/zinc/17/64/51/1289176451.db2.gz NFKLCBOTBWUGJX-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC001609482197 1289176454 /nfs/dbraw/zinc/17/64/54/1289176454.db2.gz NFKLCBOTBWUGJX-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@]1(CC(=O)[O-])CCCOC1 ZINC001606636986 1288418952 /nfs/dbraw/zinc/41/89/52/1288418952.db2.gz PCAIZKLCLVMPIS-LBPRGKRZSA-N -2 3 364.401 0.232 20 0 FCADHL CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1n[n-]c(CC(=O)[O-])n1 ZINC001606686211 1288440007 /nfs/dbraw/zinc/44/00/07/1288440007.db2.gz NEFMOLVTEHTURV-NSHDSACASA-N -3 3 372.378 0.570 20 0 FCADHL COCCC(=O)N1CCC([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001606850856 1288540781 /nfs/dbraw/zinc/54/07/81/1288540781.db2.gz ZJGXPSIDRXZWFR-UHFFFAOYSA-N -2 3 360.388 0.284 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606863955 1288541724 /nfs/dbraw/zinc/54/17/24/1288541724.db2.gz SUAUOMGUPMBKDX-MRVPVSSYSA-N -2 3 371.806 0.616 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606863955 1288541728 /nfs/dbraw/zinc/54/17/28/1288541728.db2.gz SUAUOMGUPMBKDX-MRVPVSSYSA-N -2 3 371.806 0.616 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606862561 1288541941 /nfs/dbraw/zinc/54/19/41/1288541941.db2.gz CLYZVQDKGXHJSI-QMMMGPOBSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606862561 1288541947 /nfs/dbraw/zinc/54/19/47/1288541947.db2.gz CLYZVQDKGXHJSI-QMMMGPOBSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([O-])[C@H](CCF)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001606958745 1288574394 /nfs/dbraw/zinc/57/43/94/1288574394.db2.gz FYXJITVHQWJFBC-QMMMGPOBSA-N -2 3 363.758 0.611 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606959245 1288575337 /nfs/dbraw/zinc/57/53/37/1288575337.db2.gz JUPVWAVZCCGXCV-XLDPMVHQSA-N -2 3 369.428 0.802 20 0 FCADHL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC001606961469 1288576598 /nfs/dbraw/zinc/57/65/98/1288576598.db2.gz RYNSPMMCJQKUKH-SNVBAGLBSA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cn2)cs1 ZINC001606962051 1288577345 /nfs/dbraw/zinc/57/73/45/1288577345.db2.gz BGDFFPIPOMBNCX-UHFFFAOYSA-N -2 3 366.384 0.500 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cn2)cs1 ZINC001606962051 1288577349 /nfs/dbraw/zinc/57/73/49/1288577349.db2.gz BGDFFPIPOMBNCX-UHFFFAOYSA-N -2 3 366.384 0.500 20 0 FCADHL O=C1CCc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2N1 ZINC001607046722 1288614577 /nfs/dbraw/zinc/61/45/77/1288614577.db2.gz NMWHEZJUVVAVPF-UHFFFAOYSA-N -2 3 371.382 0.947 20 0 FCADHL O=C1CCc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2N1 ZINC001607046722 1288614580 /nfs/dbraw/zinc/61/45/80/1288614580.db2.gz NMWHEZJUVVAVPF-UHFFFAOYSA-N -2 3 371.382 0.947 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001607056067 1288626639 /nfs/dbraw/zinc/62/66/39/1288626639.db2.gz KNDLUSOVHBPNKN-UHFFFAOYSA-N -2 3 356.367 0.716 20 0 FCADHL O=S(=O)([N-]C[C@]1(C(F)(F)F)CCCN1)c1ccc(-c2nn[n-]n2)o1 ZINC001607063371 1288635815 /nfs/dbraw/zinc/63/58/15/1288635815.db2.gz RNXVICWXNSNYCO-JTQLQIEISA-N -2 3 366.325 0.423 20 0 FCADHL O=S(=O)([N-]C[C@]1(C(F)(F)F)CCCN1)c1ccc(-c2nnn[n-]2)o1 ZINC001607063371 1288635816 /nfs/dbraw/zinc/63/58/16/1288635816.db2.gz RNXVICWXNSNYCO-JTQLQIEISA-N -2 3 366.325 0.423 20 0 FCADHL O=S(=O)([N-]c1cccc(-c2nc[nH]n2)c1)c1cncc(-c2nn[n-]n2)c1 ZINC001607068841 1288640836 /nfs/dbraw/zinc/64/08/36/1288640836.db2.gz CRTBFDDMNXTQLM-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ncccc2-c2nnn[n-]2)c1)c1ccoc1 ZINC001607070032 1288641126 /nfs/dbraw/zinc/64/11/26/1288641126.db2.gz RCBIUTIJWNHHGS-UHFFFAOYSA-N -2 3 358.343 0.841 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ncccc2-c2nn[n-]n2)c1)c1ccoc1 ZINC001607070032 1288641127 /nfs/dbraw/zinc/64/11/27/1288641127.db2.gz RCBIUTIJWNHHGS-UHFFFAOYSA-N -2 3 358.343 0.841 20 0 FCADHL COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001607337714 1288699423 /nfs/dbraw/zinc/69/94/23/1288699423.db2.gz AYNHVVMABSSTAK-SECBINFHSA-N -2 3 358.397 0.862 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3C2)c1C(=O)[O-] ZINC001607939377 1288749383 /nfs/dbraw/zinc/74/93/83/1288749383.db2.gz CGHQEPUTKPTIPC-SNVBAGLBSA-N -2 3 351.384 0.946 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3C2)c1C(=O)[O-] ZINC001607939376 1288749662 /nfs/dbraw/zinc/74/96/62/1288749662.db2.gz CGHQEPUTKPTIPC-JTQLQIEISA-N -2 3 351.384 0.946 20 0 FCADHL Cc1nc(C[N-]S(=O)(=O)c2ccsc2C(=O)[O-])sc1C(N)=O ZINC001607958036 1288752140 /nfs/dbraw/zinc/75/21/40/1288752140.db2.gz FVGQYICPCNOQJE-UHFFFAOYSA-N -2 3 361.426 0.789 20 0 FCADHL Cn1nccc1[C@@H]1C[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC001608162770 1288784616 /nfs/dbraw/zinc/78/46/16/1288784616.db2.gz MCISXVYMDCIFCY-KWQFWETISA-N -2 3 355.376 0.040 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)n[nH]1 ZINC001608861144 1288877478 /nfs/dbraw/zinc/87/74/78/1288877478.db2.gz RZOXDOBWDSMBDN-ZETCQYMHSA-N -2 3 353.282 0.386 20 0 FCADHL O=C([O-])c1ccc([C@H](NC(=O)NN2CC(=O)[N-]C2=O)C(F)(F)F)cc1 ZINC001609041570 1288884416 /nfs/dbraw/zinc/88/44/16/1288884416.db2.gz LPEPTGVIBOAEPH-VIFPVBQESA-N -2 3 360.248 0.754 20 0 FCADHL CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609147111 1288948959 /nfs/dbraw/zinc/94/89/59/1288948959.db2.gz LCICHZUFWBYMJS-JTQLQIEISA-N -2 3 359.358 0.848 20 0 FCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC001609231631 1289004262 /nfs/dbraw/zinc/00/42/62/1289004262.db2.gz XJDNXJFSONEPNV-UHFFFAOYSA-N -2 3 365.371 0.015 20 0 FCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC001609231631 1289004268 /nfs/dbraw/zinc/00/42/68/1289004268.db2.gz XJDNXJFSONEPNV-UHFFFAOYSA-N -2 3 365.371 0.015 20 0 FCADHL NC(=O)COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1 ZINC001609503290 1289184475 /nfs/dbraw/zinc/18/44/75/1289184475.db2.gz BDRACHIYFZDXAP-UHFFFAOYSA-N -2 3 354.326 0.689 20 0 FCADHL O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609518058 1289191358 /nfs/dbraw/zinc/19/13/58/1289191358.db2.gz ZYVXEXKZPVORES-VOTSOKGWSA-N -2 3 356.367 0.780 20 0 FCADHL O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609518058 1289191360 /nfs/dbraw/zinc/19/13/60/1289191360.db2.gz ZYVXEXKZPVORES-VOTSOKGWSA-N -2 3 356.367 0.780 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCOCC1 ZINC001609559980 1289225454 /nfs/dbraw/zinc/22/54/54/1289225454.db2.gz OEOHKVQYLXPTHP-LBPRGKRZSA-N -2 3 365.415 0.629 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCOCC1 ZINC001609559980 1289225458 /nfs/dbraw/zinc/22/54/58/1289225458.db2.gz OEOHKVQYLXPTHP-LBPRGKRZSA-N -2 3 365.415 0.629 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC001609560430 1289226055 /nfs/dbraw/zinc/22/60/55/1289226055.db2.gz NOKJKQDOBOYANQ-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC001609560430 1289226061 /nfs/dbraw/zinc/22/60/61/1289226061.db2.gz NOKJKQDOBOYANQ-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL O=C([O-])CC[C@@H]1CCCCN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609571766 1289235183 /nfs/dbraw/zinc/23/51/83/1289235183.db2.gz BWXHQNKVAJUYJY-NSHDSACASA-N -2 3 366.403 0.670 20 0 FCADHL O=C([O-])CC[C@@H]1CCCCN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609571766 1289235191 /nfs/dbraw/zinc/23/51/91/1289235191.db2.gz BWXHQNKVAJUYJY-NSHDSACASA-N -2 3 366.403 0.670 20 0 FCADHL C[C@@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)C(=O)[O-] ZINC001609794391 1289299839 /nfs/dbraw/zinc/29/98/39/1289299839.db2.gz OLYUAQRJNHUBMT-RXMQYKEDSA-N -2 3 355.777 0.265 20 0 FCADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])[C@@]12CCCO2 ZINC001610027892 1289350751 /nfs/dbraw/zinc/35/07/51/1289350751.db2.gz BMHBOIGIPCMOQG-KKFJDGPESA-N -2 3 362.429 0.846 20 0 FCADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])[C@H]1n1cccn1 ZINC001610030400 1289351813 /nfs/dbraw/zinc/35/18/13/1289351813.db2.gz KICQQDGITRPZAJ-KBVBSXBZSA-N -2 3 372.428 0.735 20 0 FCADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)(C(=O)[O-])C1(C)C ZINC001610030361 1289352438 /nfs/dbraw/zinc/35/24/38/1289352438.db2.gz JMCJUAQLLIOCNY-LKFCYVNXSA-N -3 3 361.372 0.915 20 0 FCADHL CN(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001610102724 1289374035 /nfs/dbraw/zinc/37/40/35/1289374035.db2.gz HHTFQZFDFJPHAO-UHFFFAOYSA-N -2 3 368.415 0.709 20 0 FCADHL COc1ccc(C(=O)[N-]C(=O)CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC001610313231 1289459213 /nfs/dbraw/zinc/45/92/13/1289459213.db2.gz CLSJJUZNDYXASE-GFCCVEGCSA-N -2 3 373.369 0.188 20 0 FCADHL C[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001610393988 1289478681 /nfs/dbraw/zinc/47/86/81/1289478681.db2.gz CZSOJOQFJIAEAS-RXMQYKEDSA-N -2 3 356.169 0.946 20 0 FCADHL Cc1cnn(-c2ccc(C(N)=O)cc2[N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC001610541320 1289504424 /nfs/dbraw/zinc/50/44/24/1289504424.db2.gz IUXCGUVEOCDFLP-UHFFFAOYSA-N -2 3 352.372 0.496 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCN(C)Cc2ccc(F)cc2)c1C(=O)[O-] ZINC001610549684 1289507169 /nfs/dbraw/zinc/50/71/69/1289507169.db2.gz HHGHAOXKVGWWNB-UHFFFAOYSA-N -2 3 370.406 0.966 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CCNC(=O)c2cccnc2)cc1C(=O)[O-] ZINC001610587261 1289518339 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Cc1cc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c(F)cc1Br ZINC000583274149 491841430 /nfs/dbraw/zinc/84/14/30/491841430.db2.gz OWEXDIWELTUDTI-MRVPVSSYSA-N -2 3 356.169 0.620 20 0 FCADHL COC(=O)c1cc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c(C)o1 ZINC000596886619 492004004 /nfs/dbraw/zinc/00/40/04/492004004.db2.gz KTXDXDWLRSMJJL-UHFFFAOYSA-N -2 3 360.373 0.850 20 0 FCADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cn(-c3ccccc3)nn2)s1 ZINC000615885197 492106113 /nfs/dbraw/zinc/10/61/13/492106113.db2.gz NRZSTEPQDIDOAG-UHFFFAOYSA-N -2 3 365.400 0.743 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])cc1F ZINC000618447888 492228725 /nfs/dbraw/zinc/22/87/25/492228725.db2.gz AMLZLMQGXXABMR-SNVBAGLBSA-N -3 3 363.319 0.209 20 0 FCADHL O=C(NC[C@H](NC(=O)c1ncccc1[O-])C(F)(F)F)c1ncccc1[O-] ZINC000647612741 492335147 /nfs/dbraw/zinc/33/51/47/492335147.db2.gz CMIXENFEBGYNJC-JTQLQIEISA-N -2 3 370.287 0.979 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647746110 492354147 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ZINC000737015167 598843344 /nfs/dbraw/zinc/84/33/44/598843344.db2.gz AJQFSHFLEIHPAT-UHFFFAOYSA-N -2 3 367.366 0.650 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736967494 598858256 /nfs/dbraw/zinc/85/82/56/598858256.db2.gz BMTDXBMDAVSINQ-UWVGGRQHSA-N -2 3 369.403 0.115 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736967494 598858258 /nfs/dbraw/zinc/85/82/58/598858258.db2.gz BMTDXBMDAVSINQ-UWVGGRQHSA-N -2 3 369.403 0.115 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)OCC1CC1 ZINC000737298979 598976410 /nfs/dbraw/zinc/97/64/10/598976410.db2.gz NKSZAXCAPIUXQI-JTQLQIEISA-N -2 3 365.415 0.795 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)OCC1CC1 ZINC000737298979 598976412 /nfs/dbraw/zinc/97/64/12/598976412.db2.gz NKSZAXCAPIUXQI-JTQLQIEISA-N -2 3 365.415 0.795 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)COC1CCCC1 ZINC000737298399 598976587 /nfs/dbraw/zinc/97/65/87/598976587.db2.gz 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COC(=O)Cc1nc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)n[n-]1 ZINC000739768051 597041314 /nfs/dbraw/zinc/04/13/14/597041314.db2.gz GATFQHGQCLLGCJ-NSHDSACASA-N -2 3 372.341 0.178 20 0 FCADHL COC(=O)c1cc(C)nc2nc(SCC(=O)NCC(=O)[O-])[n-]c(=O)c21 ZINC000820677887 597753501 /nfs/dbraw/zinc/75/35/01/597753501.db2.gz WPHMJUFIYLVRKL-UHFFFAOYSA-N -2 3 366.355 0.118 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738140381 598307632 /nfs/dbraw/zinc/30/76/32/598307632.db2.gz UDBLRASDIUXYPI-GFCCVEGCSA-N -2 3 351.388 0.495 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738140381 598307633 /nfs/dbraw/zinc/30/76/33/598307633.db2.gz UDBLRASDIUXYPI-GFCCVEGCSA-N -2 3 351.388 0.495 20 0 FCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736623098 598331889 /nfs/dbraw/zinc/33/18/89/598331889.db2.gz AABUKUBMYIJHIS-JTQLQIEISA-N -2 3 369.403 0.113 20 0 FCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736623098 598331891 /nfs/dbraw/zinc/33/18/91/598331891.db2.gz AABUKUBMYIJHIS-JTQLQIEISA-N -2 3 369.403 0.113 20 0 FCADHL Cc1nn2c([n-]nc2SCCOc2ccccc2-c2nnn[n-]2)nc1=O ZINC000737521689 598379087 /nfs/dbraw/zinc/37/90/87/598379087.db2.gz JRBRTYBCHAXUIK-UHFFFAOYSA-N -2 3 371.386 0.472 20 0 FCADHL Cc1nn2c([n-]nc2SCCOc2ccccc2-c2nn[n-]n2)nc1=O ZINC000737521689 598379088 /nfs/dbraw/zinc/37/90/88/598379088.db2.gz JRBRTYBCHAXUIK-UHFFFAOYSA-N -2 3 371.386 0.472 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737982095 598432449 /nfs/dbraw/zinc/43/24/49/598432449.db2.gz NCUASSNOSMVNTN-UHFFFAOYSA-N -2 3 370.304 0.134 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737981989 598432481 /nfs/dbraw/zinc/43/24/81/598432481.db2.gz LLRUWDOQNQKIMV-UHFFFAOYSA-N -2 3 370.304 0.134 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737981989 598432482 /nfs/dbraw/zinc/43/24/82/598432482.db2.gz LLRUWDOQNQKIMV-UHFFFAOYSA-N -2 3 370.304 0.134 20 0 FCADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738177584 598464177 /nfs/dbraw/zinc/46/41/77/598464177.db2.gz AEIRXAWDECWMGS-UHFFFAOYSA-N -2 3 350.298 0.857 20 0 FCADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738177584 598464179 /nfs/dbraw/zinc/46/41/79/598464179.db2.gz AEIRXAWDECWMGS-UHFFFAOYSA-N -2 3 350.298 0.857 20 0 FCADHL O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)[N-]C(=O)c1ccccc1 ZINC000737908921 598477337 /nfs/dbraw/zinc/47/73/37/598477337.db2.gz MGKFHDRKGTXMDL-UHFFFAOYSA-N -2 3 352.310 0.375 20 0 FCADHL Cn1c2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc2oc1=O ZINC000737590374 598595526 /nfs/dbraw/zinc/59/55/26/598595526.db2.gz OTWZUMAPFSQTRQ-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL Cn1c2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc2oc1=O ZINC000737590374 598595528 /nfs/dbraw/zinc/59/55/28/598595528.db2.gz OTWZUMAPFSQTRQ-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL CC(C)(C)CS(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735619038 598801122 /nfs/dbraw/zinc/80/11/22/598801122.db2.gz RBCXMMSWRQLLPR-UHFFFAOYSA-N -2 3 353.404 0.738 20 0 FCADHL Cc1nc(SCC(=O)N(C)CC(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000737482319 599519217 /nfs/dbraw/zinc/51/92/17/599519217.db2.gz HIRQFMRNPNRMLD-UHFFFAOYSA-N -2 3 350.404 0.822 20 0 FCADHL Cc1nc(SCC(=O)N(C)CC(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000737482319 599519219 /nfs/dbraw/zinc/51/92/19/599519219.db2.gz HIRQFMRNPNRMLD-UHFFFAOYSA-N -2 3 350.404 0.822 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ncccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738338921 599563575 /nfs/dbraw/zinc/56/35/75/599563575.db2.gz KDRLNWLGABLRSO-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ncccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738338921 599563577 /nfs/dbraw/zinc/56/35/77/599563577.db2.gz KDRLNWLGABLRSO-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)N2CCc3ccccc3C2)o1 ZINC000740175352 599778194 /nfs/dbraw/zinc/77/81/94/599778194.db2.gz PVYBLLVDJVLRGX-UHFFFAOYSA-N -2 3 364.379 0.841 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000826249875 607399546 /nfs/dbraw/zinc/39/95/46/607399546.db2.gz ZEINEUPQSBZDEL-UHFFFAOYSA-N -2 3 350.404 0.636 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000826249875 607399548 /nfs/dbraw/zinc/39/95/48/607399548.db2.gz ZEINEUPQSBZDEL-UHFFFAOYSA-N -2 3 350.404 0.636 20 0 FCADHL C[C@@H](CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CC1)C(=O)[O-] ZINC000736561259 599931308 /nfs/dbraw/zinc/93/13/08/599931308.db2.gz ALYLGSOLGFNACU-ZETCQYMHSA-N -2 3 374.191 0.423 20 0 FCADHL O=C([O-])[C@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)Cc1ccc(O)cc1 ZINC000739396084 600179749 /nfs/dbraw/zinc/17/97/49/600179749.db2.gz CDHSFICBUBQKJO-LBPRGKRZSA-N -2 3 368.345 0.949 20 0 FCADHL CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000736889755 600366981 /nfs/dbraw/zinc/36/69/81/600366981.db2.gz ZAJXDIGDBDXNCX-SDBXPKJASA-N -2 3 362.338 0.343 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC[C@@H](C)C(=O)[O-])CCCC1 ZINC000262560550 600922033 /nfs/dbraw/zinc/92/20/33/600922033.db2.gz YEWRUEAMBXGULE-SECBINFHSA-N -2 3 373.431 0.719 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)cc1C(=O)[O-] ZINC000833028178 601225854 /nfs/dbraw/zinc/22/58/54/601225854.db2.gz LBZXJZWCUWWTAJ-GFCCVEGCSA-N -2 3 372.399 0.344 20 0 FCADHL CCN1CCO[C@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000326068144 601236888 /nfs/dbraw/zinc/23/68/88/601236888.db2.gz LMTUDEZELGUWSE-SECBINFHSA-N -2 3 364.370 0.662 20 0 FCADHL C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1=O ZINC000828201303 601239455 /nfs/dbraw/zinc/23/94/55/601239455.db2.gz QWYZZRDINHSLRV-WEDXCCLWSA-N -2 3 374.365 0.951 20 0 FCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(N)=O ZINC000230952631 602153317 /nfs/dbraw/zinc/15/33/17/602153317.db2.gz ABCSCTKQZMZGQS-SSDOTTSWSA-N -2 3 369.193 0.529 20 0 FCADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(N)=O ZINC000230952635 602153321 /nfs/dbraw/zinc/15/33/21/602153321.db2.gz ABCSCTKQZMZGQS-ZETCQYMHSA-N -2 3 369.193 0.529 20 0 FCADHL O=S(=O)([N-]C[C@@H](O)C(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488994 607624878 /nfs/dbraw/zinc/62/48/78/607624878.db2.gz FBCKLZHVRKHRMN-SSDOTTSWSA-N -2 3 373.263 0.346 20 0 FCADHL CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824191439 607636689 /nfs/dbraw/zinc/63/66/89/607636689.db2.gz DUOOMJFRWHJQNP-CYBMUJFWSA-N -2 3 361.374 0.830 20 0 FCADHL O=S(=O)([N-]C[C@H]1CCC[C@@H](O)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490299 607646132 /nfs/dbraw/zinc/64/61/32/607646132.db2.gz PUDHHBIEIIHJGP-WCBMZHEXSA-N -2 3 373.385 0.974 20 0 FCADHL O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490300 607646361 /nfs/dbraw/zinc/64/63/61/607646361.db2.gz PUDHHBIEIIHJGP-WPRPVWTQSA-N -2 3 373.385 0.974 20 0 FCADHL C[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000827804467 604482610 /nfs/dbraw/zinc/48/26/10/604482610.db2.gz YWKLUAJUDMCWJW-RXMQYKEDSA-N -2 3 356.169 0.946 20 0 FCADHL O=C([O-])N1CC(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000740376374 604774335 /nfs/dbraw/zinc/77/43/35/604774335.db2.gz OOOBHXYHILSHQD-UHFFFAOYSA-N -2 3 353.809 0.158 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1 ZINC000832699245 604835501 /nfs/dbraw/zinc/83/55/01/604835501.db2.gz AVEBKNSHOIZOGC-UHFFFAOYSA-N -2 3 368.371 0.134 20 0 FCADHL CC(C)(CCS(C)(=O)=O)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833456795 605040709 /nfs/dbraw/zinc/04/07/09/605040709.db2.gz AOIYODSMSNSEJV-UHFFFAOYSA-N -2 3 356.447 0.333 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC(=O)NCCc2ccccc2)c1 ZINC000833765141 605201251 /nfs/dbraw/zinc/20/12/51/605201251.db2.gz YFOFTSMGKWDCOZ-UHFFFAOYSA-N -2 3 352.368 0.615 20 0 FCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C(=O)N1c1cnn(C)c1 ZINC000833598204 605207603 /nfs/dbraw/zinc/20/76/03/605207603.db2.gz PNFHJUZQIOTASO-KWQFWETISA-N -2 3 368.371 0.184 20 0 FCADHL CC1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000824838899 607746915 /nfs/dbraw/zinc/74/69/15/607746915.db2.gz WDYIVXNXFXMBMB-UHFFFAOYSA-N -2 3 359.358 0.992 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)CCCF ZINC000820543030 606134718 /nfs/dbraw/zinc/13/47/18/606134718.db2.gz SWTHUXRALFSRBS-VIFPVBQESA-N -2 3 357.367 0.440 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)CCCF ZINC000820543030 606134719 /nfs/dbraw/zinc/13/47/19/606134719.db2.gz SWTHUXRALFSRBS-VIFPVBQESA-N -2 3 357.367 0.440 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1C(=O)[O-] ZINC000822684789 606211226 /nfs/dbraw/zinc/21/12/26/606211226.db2.gz IPAQUVPQTNYPKO-UHFFFAOYSA-N -3 3 364.343 0.410 20 0 FCADHL O=C([O-])Cc1ccc(S(=O)(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823387626 606331338 /nfs/dbraw/zinc/33/13/38/606331338.db2.gz RCWONNZQHWURPG-UHFFFAOYSA-N -2 3 373.394 0.972 20 0 FCADHL O=C([O-])Cc1ccc(S(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823387626 606331339 /nfs/dbraw/zinc/33/13/39/606331339.db2.gz RCWONNZQHWURPG-UHFFFAOYSA-N -2 3 373.394 0.972 20 0 FCADHL C[C@@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820503231 606343159 /nfs/dbraw/zinc/34/31/59/606343159.db2.gz ZBUVSQRIOZRMBH-SECBINFHSA-N -2 3 366.341 0.556 20 0 FCADHL C[C@@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820503231 606343161 /nfs/dbraw/zinc/34/31/61/606343161.db2.gz ZBUVSQRIOZRMBH-SECBINFHSA-N -2 3 366.341 0.556 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1C ZINC000822266935 606406153 /nfs/dbraw/zinc/40/61/53/606406153.db2.gz KORPQIDLMYORAE-UHFFFAOYSA-N -2 3 360.399 0.941 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1C ZINC000822266935 606406155 /nfs/dbraw/zinc/40/61/55/606406155.db2.gz KORPQIDLMYORAE-UHFFFAOYSA-N -2 3 360.399 0.941 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000822645727 606406300 /nfs/dbraw/zinc/40/63/00/606406300.db2.gz MEHUSQHYMXNELD-BQYQJAHWSA-N -2 3 358.383 0.936 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000822645727 606406302 /nfs/dbraw/zinc/40/63/02/606406302.db2.gz MEHUSQHYMXNELD-BQYQJAHWSA-N -2 3 358.383 0.936 20 0 FCADHL COc1cccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821877415 606407824 /nfs/dbraw/zinc/40/78/24/606407824.db2.gz JGOPVRAUXHNLMI-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL COc1cccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821877415 606407827 /nfs/dbraw/zinc/40/78/27/606407827.db2.gz JGOPVRAUXHNLMI-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821858473 606459749 /nfs/dbraw/zinc/45/97/49/606459749.db2.gz GBTAIRSRQGNHJP-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821858473 606459752 /nfs/dbraw/zinc/45/97/52/606459752.db2.gz GBTAIRSRQGNHJP-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1O ZINC000823387570 606624157 /nfs/dbraw/zinc/62/41/57/606624157.db2.gz PLUHZCVGUPJYCN-UHFFFAOYSA-N -3 3 362.327 0.466 20 0 FCADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1O ZINC000823387570 606624158 /nfs/dbraw/zinc/62/41/58/606624158.db2.gz PLUHZCVGUPJYCN-UHFFFAOYSA-N -3 3 362.327 0.466 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000821671490 606695854 /nfs/dbraw/zinc/69/58/54/606695854.db2.gz XYZIXHQLDQKRQT-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000821671490 606695855 /nfs/dbraw/zinc/69/58/55/606695855.db2.gz XYZIXHQLDQKRQT-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822553487 606709091 /nfs/dbraw/zinc/70/90/91/606709091.db2.gz LJMMWZXPKNYIBV-UHFFFAOYSA-N -3 3 369.388 0.469 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)COC1 ZINC000820945773 606745853 /nfs/dbraw/zinc/74/58/53/606745853.db2.gz VIACPYRUQGCPHC-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)COC1 ZINC000820945773 606745855 /nfs/dbraw/zinc/74/58/55/606745855.db2.gz VIACPYRUQGCPHC-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821681812 606746244 /nfs/dbraw/zinc/74/62/44/606746244.db2.gz SEXIOEOFMHBYQO-JTQLQIEISA-N -2 3 353.404 0.485 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821681812 606746246 /nfs/dbraw/zinc/74/62/46/606746246.db2.gz SEXIOEOFMHBYQO-JTQLQIEISA-N -2 3 353.404 0.485 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821681987 606746644 /nfs/dbraw/zinc/74/66/44/606746644.db2.gz XOMFUQLVPPEVFO-SNVBAGLBSA-N -2 3 353.404 0.485 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821681987 606746645 /nfs/dbraw/zinc/74/66/45/606746645.db2.gz XOMFUQLVPPEVFO-SNVBAGLBSA-N -2 3 353.404 0.485 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821681903 606747737 /nfs/dbraw/zinc/74/77/37/606747737.db2.gz VDDLTBFEIATPFO-QMMMGPOBSA-N -2 3 373.822 0.998 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821681903 606747738 /nfs/dbraw/zinc/74/77/38/606747738.db2.gz VDDLTBFEIATPFO-QMMMGPOBSA-N -2 3 373.822 0.998 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821681409 606747823 /nfs/dbraw/zinc/74/78/23/606747823.db2.gz KAUASFLGJOUNBE-SNVBAGLBSA-N -2 3 353.404 0.485 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821681409 606747826 /nfs/dbraw/zinc/74/78/26/606747826.db2.gz KAUASFLGJOUNBE-SNVBAGLBSA-N -2 3 353.404 0.485 20 0 FCADHL COC(=O)c1nscc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821671213 606752282 /nfs/dbraw/zinc/75/22/82/606752282.db2.gz MVYODPIBYSSRHV-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COC(=O)c1nscc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821671213 606752283 /nfs/dbraw/zinc/75/22/83/606752283.db2.gz MVYODPIBYSSRHV-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCSC1 ZINC000823284480 606800467 /nfs/dbraw/zinc/80/04/67/606800467.db2.gz ICLOPNKKHVUYHX-LLVKDONJSA-N -2 3 353.429 0.566 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCSC1 ZINC000823284480 606800469 /nfs/dbraw/zinc/80/04/69/606800469.db2.gz ICLOPNKKHVUYHX-LLVKDONJSA-N -2 3 353.429 0.566 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820973506 606839134 /nfs/dbraw/zinc/83/91/34/606839134.db2.gz XSLKTLNWPIGCDZ-CMPLNLGQSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820973506 606839136 /nfs/dbraw/zinc/83/91/36/606839136.db2.gz XSLKTLNWPIGCDZ-CMPLNLGQSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820973646 606839337 /nfs/dbraw/zinc/83/93/37/606839337.db2.gz YUPYOSKSXBZRIT-STQMWFEESA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820973646 606839338 /nfs/dbraw/zinc/83/93/38/606839338.db2.gz YUPYOSKSXBZRIT-STQMWFEESA-N -2 3 365.415 0.770 20 0 FCADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822021383 606870429 /nfs/dbraw/zinc/87/04/29/606870429.db2.gz ZGWAKUWRBGHDGR-UHFFFAOYSA-N -3 3 363.359 0.408 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCOC1 ZINC000820438507 606893490 /nfs/dbraw/zinc/89/34/90/606893490.db2.gz QXGCKVBITDCUJE-JGVFFNPUSA-N -2 3 359.358 0.848 20 0 FCADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1cnccn1 ZINC000822978443 606953927 /nfs/dbraw/zinc/95/39/27/606953927.db2.gz LCQTYDSHPVEYNW-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1cnccn1 ZINC000822978443 606953928 /nfs/dbraw/zinc/95/39/28/606953928.db2.gz LCQTYDSHPVEYNW-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCSCC(=O)[O-] ZINC000820543262 607110515 /nfs/dbraw/zinc/11/05/15/607110515.db2.gz XLNCGZYFWLZZEJ-VIFPVBQESA-N -2 3 351.388 0.568 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCSCC(=O)[O-] ZINC000820543262 607110516 /nfs/dbraw/zinc/11/05/16/607110516.db2.gz XLNCGZYFWLZZEJ-VIFPVBQESA-N -2 3 351.388 0.568 20 0 FCADHL Cc1cncc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822400178 607184769 /nfs/dbraw/zinc/18/47/69/607184769.db2.gz YJJDTWDEKHCNEQ-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cncc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822400178 607184770 /nfs/dbraw/zinc/18/47/70/607184770.db2.gz YJJDTWDEKHCNEQ-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450269 607925695 /nfs/dbraw/zinc/92/56/95/607925695.db2.gz DPLUMXVTUOKMQM-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450269 607925696 /nfs/dbraw/zinc/92/56/96/607925696.db2.gz DPLUMXVTUOKMQM-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL Cc1c(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cnn1C ZINC000826236515 607971942 /nfs/dbraw/zinc/97/19/42/607971942.db2.gz PQNRDUGHBWRLTG-UHFFFAOYSA-N -2 3 369.357 0.665 20 0 FCADHL O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826492552 608001173 /nfs/dbraw/zinc/00/11/73/608001173.db2.gz QPHXTEOQZDUDPS-WAAGHKOSSA-N -2 3 373.385 0.974 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826461556 608010715 /nfs/dbraw/zinc/01/07/15/608010715.db2.gz ZJAVFWKYRKZXRG-UHFFFAOYSA-N -2 3 355.351 0.491 20 0 FCADHL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000826461464 608010767 /nfs/dbraw/zinc/01/07/67/608010767.db2.gz WAHUAVXIFONEJM-UHFFFAOYSA-N -3 3 373.341 0.821 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826461256 608011395 /nfs/dbraw/zinc/01/13/95/608011395.db2.gz MWDBLQRLWFUEMC-SECBINFHSA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826461256 608011396 /nfs/dbraw/zinc/01/13/96/608011396.db2.gz MWDBLQRLWFUEMC-SECBINFHSA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826461257 608011419 /nfs/dbraw/zinc/01/14/19/608011419.db2.gz MWDBLQRLWFUEMC-VIFPVBQESA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826461257 608011420 /nfs/dbraw/zinc/01/14/20/608011420.db2.gz MWDBLQRLWFUEMC-VIFPVBQESA-N -2 3 369.378 0.881 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])c1-c1nnn[n-]1 ZINC000826302593 608011812 /nfs/dbraw/zinc/01/18/12/608011812.db2.gz NMNTYSVDDZIXHV-SNVBAGLBSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])c1-c1nn[n-]n1 ZINC000826302593 608011813 /nfs/dbraw/zinc/01/18/13/608011813.db2.gz NMNTYSVDDZIXHV-SNVBAGLBSA-N -2 3 353.404 0.953 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000824377512 608011977 /nfs/dbraw/zinc/01/19/77/608011977.db2.gz GYHZFNRRIHMLNZ-UHFFFAOYSA-N -2 3 364.391 0.101 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000824377512 608011978 /nfs/dbraw/zinc/01/19/78/608011978.db2.gz GYHZFNRRIHMLNZ-UHFFFAOYSA-N -2 3 364.391 0.101 20 0 FCADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826408404 608076403 /nfs/dbraw/zinc/07/64/03/608076403.db2.gz DUQFJYISRQVOEO-LBPRGKRZSA-N -2 3 365.415 0.282 20 0 FCADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826408404 608076404 /nfs/dbraw/zinc/07/64/04/608076404.db2.gz DUQFJYISRQVOEO-LBPRGKRZSA-N -2 3 365.415 0.282 20 0 FCADHL O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492623 608095228 /nfs/dbraw/zinc/09/52/28/608095228.db2.gz VEWXAVLEBDITJW-UHFFFAOYSA-N -2 3 350.335 0.694 20 0 FCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825074981 608144570 /nfs/dbraw/zinc/14/45/70/608144570.db2.gz MERDZRPPBCFPAP-VHSXEESVSA-N -2 3 353.404 0.879 20 0 FCADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492558 608220538 /nfs/dbraw/zinc/22/05/38/608220538.db2.gz RAQMMJLJLXYHSV-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL C[C@@]1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCOC1 ZINC000824837636 608250785 /nfs/dbraw/zinc/25/07/85/608250785.db2.gz ICWAZFIKSRVPJG-CYBMUJFWSA-N -2 3 359.358 0.992 20 0 FCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000825759453 608323828 /nfs/dbraw/zinc/32/38/28/608323828.db2.gz HSZUUVYCFNPSPI-UHFFFAOYSA-N -2 3 368.448 0.982 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450305 608333910 /nfs/dbraw/zinc/33/39/10/608333910.db2.gz GCBXDPCSENRHBF-UHFFFAOYSA-N -2 3 374.382 0.639 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450305 608333912 /nfs/dbraw/zinc/33/39/12/608333912.db2.gz GCBXDPCSENRHBF-UHFFFAOYSA-N -2 3 374.382 0.639 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000826255962 608396258 /nfs/dbraw/zinc/39/62/58/608396258.db2.gz PTCJARPAXJWSRB-UHFFFAOYSA-N -3 3 363.359 0.408 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000826255962 608396260 /nfs/dbraw/zinc/39/62/60/608396260.db2.gz PTCJARPAXJWSRB-UHFFFAOYSA-N -3 3 363.359 0.408 20 0 FCADHL O=C(OCc1n[nH]c(=O)[n-]1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826467691 608447232 /nfs/dbraw/zinc/44/72/32/608447232.db2.gz IMOXECQFQMPWFW-NSHDSACASA-N -2 3 356.346 0.403 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825066815 608473107 /nfs/dbraw/zinc/47/31/07/608473107.db2.gz FIRXSYQPJCSPER-MRVPVSSYSA-N -2 3 357.367 0.880 20 0 FCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824894358 608759294 /nfs/dbraw/zinc/75/92/94/608759294.db2.gz YSHNJXNPLQAZMP-IONNQARKSA-N -2 3 359.358 0.991 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CSCCS1 ZINC000826450573 609139995 /nfs/dbraw/zinc/13/99/95/609139995.db2.gz RYOYPJUMOMXSQA-JTQLQIEISA-N -2 3 371.469 0.520 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CSCCS1 ZINC000826450573 609139997 /nfs/dbraw/zinc/13/99/97/609139997.db2.gz RYOYPJUMOMXSQA-JTQLQIEISA-N -2 3 371.469 0.520 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826155476 609386457 /nfs/dbraw/zinc/38/64/57/609386457.db2.gz RHIUGMSRENVWSI-NSHDSACASA-N -2 3 367.431 0.875 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826155476 609386460 /nfs/dbraw/zinc/38/64/60/609386460.db2.gz RHIUGMSRENVWSI-NSHDSACASA-N -2 3 367.431 0.875 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825643063 609405357 /nfs/dbraw/zinc/40/53/57/609405357.db2.gz HGMXTUVCSRRHDU-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825643063 609405358 /nfs/dbraw/zinc/40/53/58/609405358.db2.gz HGMXTUVCSRRHDU-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)nc1 ZINC000826492312 609458211 /nfs/dbraw/zinc/45/82/11/609458211.db2.gz CLJGSAJYDCWLDW-UHFFFAOYSA-N -2 3 360.281 0.804 20 0 FCADHL O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000325967852 663359329 /nfs/dbraw/zinc/35/93/29/663359329.db2.gz UHKOHBCIKXUQNR-SECBINFHSA-N -2 3 358.307 0.431 20 0 FCADHL O=C([O-])[C@@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000325967852 663359332 /nfs/dbraw/zinc/35/93/32/663359332.db2.gz UHKOHBCIKXUQNR-SECBINFHSA-N -2 3 358.307 0.431 20 0 FCADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1ccccn1 ZINC000054294688 665174452 /nfs/dbraw/zinc/17/44/52/665174452.db2.gz MIIFBQRFDKYLKX-UHFFFAOYSA-N -3 3 365.367 0.341 20 0 FCADHL O=C([O-])CCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000263357592 665252860 /nfs/dbraw/zinc/25/28/60/665252860.db2.gz JLSRWQMZIQREHT-UHFFFAOYSA-N -2 3 365.358 0.407 20 0 FCADHL COC(=O)COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc1 ZINC000055546286 666543393 /nfs/dbraw/zinc/54/33/93/666543393.db2.gz PWHQYKBLJSMUEG-UHFFFAOYSA-N -2 3 365.367 0.257 20 0 FCADHL CO[N-]C(=O)C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000921687872 667256667 /nfs/dbraw/zinc/25/66/67/667256667.db2.gz MGHKAFLHMDDDLK-UHFFFAOYSA-N -2 3 355.185 0.853 20 0 FCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736932479 667464554 /nfs/dbraw/zinc/46/45/54/667464554.db2.gz MGZUULYJJLHLGH-UHFFFAOYSA-N -2 3 363.359 0.037 20 0 FCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736932479 667464555 /nfs/dbraw/zinc/46/45/55/667464555.db2.gz MGZUULYJJLHLGH-UHFFFAOYSA-N -2 3 363.359 0.037 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737817581 667887590 /nfs/dbraw/zinc/88/75/90/667887590.db2.gz CHFVTMTYEFODOA-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737817581 667887593 /nfs/dbraw/zinc/88/75/93/667887593.db2.gz CHFVTMTYEFODOA-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-] ZINC000776443634 668262820 /nfs/dbraw/zinc/26/28/20/668262820.db2.gz FGUNDDYXQNNVMD-SSDOTTSWSA-N -2 3 372.168 0.321 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-] ZINC000776588036 668275249 /nfs/dbraw/zinc/27/52/49/668275249.db2.gz DPTJTUIVQJCOQZ-ZETCQYMHSA-N -2 3 350.780 0.911 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)CC2CC2)cc1F ZINC000784897312 668681069 /nfs/dbraw/zinc/68/10/69/668681069.db2.gz POKXQWDUAFFNRP-UHFFFAOYSA-N -2 3 350.393 0.802 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824868881 669421982 /nfs/dbraw/zinc/42/19/82/669421982.db2.gz XFSFUSJAGBSCDH-KOLCDFICSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824868881 669421985 /nfs/dbraw/zinc/42/19/85/669421985.db2.gz XFSFUSJAGBSCDH-KOLCDFICSA-N -2 3 351.388 0.487 20 0 FCADHL CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cn1C ZINC000826067884 669478419 /nfs/dbraw/zinc/47/84/19/669478419.db2.gz MVCQYVZAEUYUJB-UHFFFAOYSA-N -2 3 361.387 0.366 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000826279096 669489205 /nfs/dbraw/zinc/48/92/05/669489205.db2.gz FPBKUWTYOJAHOU-CMPLNLGQSA-N -2 3 365.415 0.795 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000826279096 669489210 /nfs/dbraw/zinc/48/92/10/669489210.db2.gz FPBKUWTYOJAHOU-CMPLNLGQSA-N -2 3 365.415 0.795 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc(=O)[nH]1 ZINC000826260365 669489529 /nfs/dbraw/zinc/48/95/29/669489529.db2.gz KQCOWMRHHHQJBR-UHFFFAOYSA-N -2 3 360.355 0.394 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc(=O)[nH]1 ZINC000826260365 669489531 /nfs/dbraw/zinc/48/95/31/669489531.db2.gz KQCOWMRHHHQJBR-UHFFFAOYSA-N -2 3 360.355 0.394 20 0 FCADHL COC(=O)c1cc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)c[n-]1 ZINC000814533502 669887584 /nfs/dbraw/zinc/88/75/84/669887584.db2.gz ZOKWDPYTHJBUCL-UHFFFAOYSA-N -2 3 363.351 0.980 20 0 FCADHL O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(I)c([O-])c1 ZINC000816732066 669975705 /nfs/dbraw/zinc/97/57/05/669975705.db2.gz QZXXPZFQRGZNOG-UHFFFAOYSA-N -2 3 362.083 0.383 20 0 FCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)[C@@H]1CCOC1 ZINC000837287234 670094021 /nfs/dbraw/zinc/09/40/21/670094021.db2.gz UUWSMDVOGQKYKR-MUWHJKNJSA-N -2 3 361.763 0.644 20 0 FCADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837288761 670094471 /nfs/dbraw/zinc/09/44/71/670094471.db2.gz QBIPLIYBIAWBCX-OIBJUYFYSA-N -2 3 363.779 0.769 20 0 FCADHL O=C([O-])COCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837289289 670094485 /nfs/dbraw/zinc/09/44/85/670094485.db2.gz XYLMWYVYSWFERX-UHFFFAOYSA-N -2 3 373.612 0.877 20 0 FCADHL COC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837289887 670094720 /nfs/dbraw/zinc/09/47/20/670094720.db2.gz HXYSUEZAAAPERW-ZETCQYMHSA-N -2 3 373.612 0.875 20 0 FCADHL O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000840944134 670527703 /nfs/dbraw/zinc/52/77/03/670527703.db2.gz JLTUALOKTCWXJD-JGZJWPJOSA-N -2 3 356.375 0.859 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000844205831 670909377 /nfs/dbraw/zinc/90/93/77/670909377.db2.gz OWJVKZIGSXCLOP-JTQLQIEISA-N -2 3 372.380 0.740 20 0 FCADHL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000851626073 671451681 /nfs/dbraw/zinc/45/16/81/671451681.db2.gz DSNLZOUJEGUVGZ-XWEPSHTISA-N -2 3 374.365 0.999 20 0 FCADHL CCc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n[nH]1 ZINC000851701453 671460856 /nfs/dbraw/zinc/46/08/56/671460856.db2.gz GRRGKPUZFUEDTO-WCBMZHEXSA-N -2 3 362.308 0.708 20 0 FCADHL Cn1[n-]cc2c(=NC(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)ccnc1-2 ZINC000879415988 673118859 /nfs/dbraw/zinc/11/88/59/673118859.db2.gz KBOQPTUUCZFYTF-UHFFFAOYSA-N -2 3 356.308 0.484 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cnc[n-]c3=O)C2)c1[O-] ZINC000981167751 1186338152 /nfs/dbraw/zinc/33/81/52/1186338152.db2.gz LJBCMYMRUBHXNT-VHSXEESVSA-N -2 3 360.374 0.248 20 0 FCADHL O=C(NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1)c1ncccc1[O-] ZINC000981202755 1186349803 /nfs/dbraw/zinc/34/98/03/1186349803.db2.gz OGNOMKCOIOYDMQ-WDEREUQCSA-N -2 3 357.370 0.611 20 0 FCADHL O=C([O-])CN1CCCn2nc(C(=O)Nc3ccc(F)c([O-])c3)cc2C1=O ZINC001178370030 1206355963 /nfs/dbraw/zinc/35/59/63/1206355963.db2.gz BDDFHQDRRDDAMR-UHFFFAOYSA-N -2 3 362.317 0.911 20 0 FCADHL COc1cc2[n-]cc(C(=O)N(C)C[C@@H](C)c3nnn[n-]3)c(=O)c2c(OC)c1 ZINC001118856051 1221836778 /nfs/dbraw/zinc/83/67/78/1221836778.db2.gz CYLNKWXJVWVRCR-SECBINFHSA-N -2 3 372.385 0.934 20 0 FCADHL COc1cc2[n-]cc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c(=O)c2c(OC)c1 ZINC001118856051 1221836780 /nfs/dbraw/zinc/83/67/80/1221836780.db2.gz CYLNKWXJVWVRCR-SECBINFHSA-N -2 3 372.385 0.934 20 0 FCADHL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)ncc1-c1ccccc1)[C@H](O)C(=O)[O-] ZINC001230974972 1226093851 /nfs/dbraw/zinc/09/38/51/1226093851.db2.gz OGNIAEYNNHGROM-SKDRFNHKSA-N -3 3 362.294 0.291 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000993927392 1250079484 /nfs/dbraw/zinc/07/94/84/1250079484.db2.gz VVQKWCVKOOZOKK-ZYHUDNBSSA-N -2 3 371.397 0.729 20 0 FCADHL CO[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1NC(=O)c1ncccc1[O-] ZINC000941600812 1246710152 /nfs/dbraw/zinc/71/01/52/1246710152.db2.gz HPGRVZFQVRKPAW-IUODEOHRSA-N -2 3 357.366 0.762 20 0 FCADHL O=C(N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O)c1ncccc1[O-] ZINC001083423232 1257455349 /nfs/dbraw/zinc/45/53/49/1257455349.db2.gz LPTHUUVRNJPADN-OCCSQVGLSA-N -2 3 371.397 0.135 20 0 FCADHL CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Oc1[n-]c(=O)nc3cn[n-]c31)CO2 ZINC001233933479 1259554994 /nfs/dbraw/zinc/55/49/94/1259554994.db2.gz BWNXOSZFJNPUHY-SECBINFHSA-N -2 3 363.374 0.803 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001580383484 1278201205 /nfs/dbraw/zinc/20/12/05/1278201205.db2.gz IBASXAMYNRASBV-PWSUYJOCSA-N -2 3 366.385 0.760 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001558078033 1269017473 /nfs/dbraw/zinc/01/74/73/1269017473.db2.gz GIYHCFJYCKUHSZ-GFCCVEGCSA-N -2 3 366.385 0.212 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001580634695 1278598548 /nfs/dbraw/zinc/59/85/48/1278598548.db2.gz KFKQHZAIHMXEDH-JTQLQIEISA-N -2 3 369.389 0.320 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001580634695 1278598554 /nfs/dbraw/zinc/59/85/54/1278598554.db2.gz KFKQHZAIHMXEDH-JTQLQIEISA-N -2 3 369.389 0.320 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1=O ZINC001574243109 1271114250 /nfs/dbraw/zinc/11/42/50/1271114250.db2.gz OKASCNVEXMEKQT-UHFFFAOYSA-N -2 3 362.419 0.328 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1=O ZINC001574243109 1271114254 /nfs/dbraw/zinc/11/42/54/1271114254.db2.gz OKASCNVEXMEKQT-UHFFFAOYSA-N -2 3 362.419 0.328 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575357315 1271991867 /nfs/dbraw/zinc/99/18/67/1271991867.db2.gz XQFNDEHELSKDDY-RKDXNWHRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575357315 1271991876 /nfs/dbraw/zinc/99/18/76/1271991876.db2.gz XQFNDEHELSKDDY-RKDXNWHRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575357312 1271993019 /nfs/dbraw/zinc/99/30/19/1271993019.db2.gz XQFNDEHELSKDDY-BDAKNGLRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575357312 1271993031 /nfs/dbraw/zinc/99/30/31/1271993031.db2.gz XQFNDEHELSKDDY-BDAKNGLRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575844529 1272517542 /nfs/dbraw/zinc/51/75/42/1272517542.db2.gz WVEPFDWQGZERPY-INIZCTEOSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575844529 1272517547 /nfs/dbraw/zinc/51/75/47/1272517547.db2.gz WVEPFDWQGZERPY-INIZCTEOSA-N -2 3 367.373 0.156 20 0 FCADHL CCCN(CCNC(=O)c1ncccc1[O-])c1nccnc1-c1nnn[n-]1 ZINC001577658382 1274668557 /nfs/dbraw/zinc/66/85/57/1274668557.db2.gz YGGFKCVXULOUEO-UHFFFAOYSA-N -2 3 369.389 0.404 20 0 FCADHL CCCN(CCNC(=O)c1ncccc1[O-])c1nccnc1-c1nn[n-]n1 ZINC001577658382 1274668561 /nfs/dbraw/zinc/66/85/61/1274668561.db2.gz YGGFKCVXULOUEO-UHFFFAOYSA-N -2 3 369.389 0.404 20 0 FCADHL CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ncccc1-c1nn[n-]n1 ZINC001578057091 1275352562 /nfs/dbraw/zinc/35/25/62/1275352562.db2.gz XTFDYEGUZLQNOF-UHFFFAOYSA-N -2 3 357.378 0.255 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1ncccc1-c1nnn[n-]1 ZINC001578101418 1275402593 /nfs/dbraw/zinc/40/25/93/1275402593.db2.gz AMJMFJCFAHBSCZ-UHFFFAOYSA-N -2 3 354.374 0.619 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1ncccc1-c1nn[n-]n1 ZINC001578101418 1275402594 /nfs/dbraw/zinc/40/25/94/1275402594.db2.gz AMJMFJCFAHBSCZ-UHFFFAOYSA-N -2 3 354.374 0.619 20 0 FCADHL CCN(c1cnc(-c2nnn[n-]2)cn1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001578201104 1275491187 /nfs/dbraw/zinc/49/11/87/1275491187.db2.gz UULPMVYYDSEOKM-SNVBAGLBSA-N -2 3 369.389 0.402 20 0 FCADHL CCN(c1cnc(-c2nn[n-]n2)cn1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001578201104 1275491190 /nfs/dbraw/zinc/49/11/90/1275491190.db2.gz UULPMVYYDSEOKM-SNVBAGLBSA-N -2 3 369.389 0.402 20 0 FCADHL CCc1nc(N[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])cc(-c2nnn[n-]2)n1 ZINC001578628462 1276073343 /nfs/dbraw/zinc/07/33/43/1276073343.db2.gz OCBSCAHHHUEECF-ZETCQYMHSA-N -2 3 372.393 0.187 20 0 FCADHL CCc1nc(N[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])cc(-c2nn[n-]n2)n1 ZINC001578628462 1276073349 /nfs/dbraw/zinc/07/33/49/1276073349.db2.gz OCBSCAHHHUEECF-ZETCQYMHSA-N -2 3 372.393 0.187 20 0 FCADHL CC(C)(C)OC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001603104593 1287308885 /nfs/dbraw/zinc/30/88/85/1287308885.db2.gz NZMBTOVDLSWKIW-NSHDSACASA-N -2 3 369.403 0.413 20 0 FCADHL CC(C)(C)OC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001603104593 1287308889 /nfs/dbraw/zinc/30/88/89/1287308889.db2.gz NZMBTOVDLSWKIW-NSHDSACASA-N -2 3 369.403 0.413 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581053005 1279295759 /nfs/dbraw/zinc/29/57/59/1279295759.db2.gz ARUQJGDJHDIOHC-SECBINFHSA-N -2 3 371.405 0.562 20 0 FCADHL CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001603299434 1287349863 /nfs/dbraw/zinc/34/98/63/1287349863.db2.gz GXEJOMFDMODQJO-JTQLQIEISA-N -2 3 353.404 0.733 20 0 FCADHL CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001603299434 1287349871 /nfs/dbraw/zinc/34/98/71/1287349871.db2.gz GXEJOMFDMODQJO-JTQLQIEISA-N -2 3 353.404 0.733 20 0 FCADHL CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001603299439 1287350278 /nfs/dbraw/zinc/35/02/78/1287350278.db2.gz HEQIBVYJKCYRRD-JTQLQIEISA-N -2 3 353.404 0.733 20 0 FCADHL CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001603299439 1287350283 /nfs/dbraw/zinc/35/02/83/1287350283.db2.gz HEQIBVYJKCYRRD-JTQLQIEISA-N -2 3 353.404 0.733 20 0 FCADHL CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001603302398 1287350808 /nfs/dbraw/zinc/35/08/08/1287350808.db2.gz LUIWKEBJIVRBML-SNVBAGLBSA-N -2 3 353.404 0.736 20 0 FCADHL CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001603302398 1287350812 /nfs/dbraw/zinc/35/08/12/1287350812.db2.gz LUIWKEBJIVRBML-SNVBAGLBSA-N -2 3 353.404 0.736 20 0 FCADHL CC(C)N(CCC(=O)[O-])S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603319889 1287354545 /nfs/dbraw/zinc/35/45/45/1287354545.db2.gz FALHEGNJVUDEQZ-UHFFFAOYSA-N -2 3 357.367 0.880 20 0 FCADHL CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603386750 1287364683 /nfs/dbraw/zinc/36/46/83/1287364683.db2.gz RRPFTKUJCJAHSK-JTQLQIEISA-N -2 3 366.765 0.684 20 0 FCADHL CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603386750 1287364689 /nfs/dbraw/zinc/36/46/89/1287364689.db2.gz RRPFTKUJCJAHSK-JTQLQIEISA-N -2 3 366.765 0.684 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001603447988 1287374475 /nfs/dbraw/zinc/37/44/75/1287374475.db2.gz BZWMMOAPUYMCKN-ZYHUDNBSSA-N -2 3 365.415 0.877 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001603447988 1287374478 /nfs/dbraw/zinc/37/44/78/1287374478.db2.gz BZWMMOAPUYMCKN-ZYHUDNBSSA-N -2 3 365.415 0.877 20 0 FCADHL C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603466051 1287380958 /nfs/dbraw/zinc/38/09/58/1287380958.db2.gz HQEOSMDRNDXZGS-QMMMGPOBSA-N -2 3 357.367 0.928 20 0 FCADHL C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001603466051 1287380960 /nfs/dbraw/zinc/38/09/60/1287380960.db2.gz HQEOSMDRNDXZGS-QMMMGPOBSA-N -2 3 357.367 0.928 20 0 FCADHL Cn1[n-]cc2c(=NC(=O)NCc3nc(-c4nnn[n-]4)cs3)ccnc1-2 ZINC001581746476 1280450531 /nfs/dbraw/zinc/45/05/31/1280450531.db2.gz FDOLLTVKDWYCGP-UHFFFAOYSA-N -2 3 356.375 0.300 20 0 FCADHL C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001603647972 1287456974 /nfs/dbraw/zinc/45/69/74/1287456974.db2.gz BCFMJIWIVURDNW-BDAKNGLRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001603647972 1287456979 /nfs/dbraw/zinc/45/69/79/1287456979.db2.gz BCFMJIWIVURDNW-BDAKNGLRSA-N -2 3 355.362 0.376 20 0 FCADHL O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582260144 1281220620 /nfs/dbraw/zinc/22/06/20/1281220620.db2.gz VDYUMFTXPATERY-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ncccc1[O-] ZINC001582260144 1281220626 /nfs/dbraw/zinc/22/06/26/1281220626.db2.gz VDYUMFTXPATERY-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001603751518 1287487189 /nfs/dbraw/zinc/48/71/89/1287487189.db2.gz IKBUQGBCQLUOEB-OAHLLOKOSA-N -2 3 362.321 0.268 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001603751518 1287487190 /nfs/dbraw/zinc/48/71/90/1287487190.db2.gz IKBUQGBCQLUOEB-OAHLLOKOSA-N -2 3 362.321 0.268 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603751136 1287487410 /nfs/dbraw/zinc/48/74/10/1287487410.db2.gz ALDGLHQPCPSDSX-SMDDNHRTSA-N -2 3 369.378 0.928 20 0 FCADHL CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001603771162 1287492153 /nfs/dbraw/zinc/49/21/53/1287492153.db2.gz WFWZIIBZDYYZFF-NSHDSACASA-N -2 3 351.388 0.883 20 0 FCADHL CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001603771162 1287492156 /nfs/dbraw/zinc/49/21/56/1287492156.db2.gz WFWZIIBZDYYZFF-NSHDSACASA-N -2 3 351.388 0.883 20 0 FCADHL O=C(NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)c1ncccc1[O-] ZINC001582399001 1281463264 /nfs/dbraw/zinc/46/32/64/1281463264.db2.gz HWAIYLVQBMFJKE-UHFFFAOYSA-N -2 3 367.373 0.522 20 0 FCADHL O=C(NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)c1ncccc1[O-] ZINC001582399001 1281463267 /nfs/dbraw/zinc/46/32/67/1281463267.db2.gz HWAIYLVQBMFJKE-UHFFFAOYSA-N -2 3 367.373 0.522 20 0 FCADHL O=C(NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ncccc1[O-] ZINC001582463301 1281583781 /nfs/dbraw/zinc/58/37/81/1281583781.db2.gz ZNAOOOQHZRKWJL-SNVBAGLBSA-N -2 3 367.373 0.014 20 0 FCADHL O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ncccc1[O-] ZINC001582463301 1281583785 /nfs/dbraw/zinc/58/37/85/1281583785.db2.gz ZNAOOOQHZRKWJL-SNVBAGLBSA-N -2 3 367.373 0.014 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844694 1287515533 /nfs/dbraw/zinc/51/55/33/1287515533.db2.gz INHHWEGKMCBZIF-GXSJLCMTSA-N -2 3 358.358 0.374 20 0 FCADHL O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1ncccc1[O-] ZINC001582571698 1281759152 /nfs/dbraw/zinc/75/91/52/1281759152.db2.gz VFKCPBSTCBNJNX-SNVBAGLBSA-N -2 3 352.358 0.371 20 0 FCADHL O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1ncccc1[O-] ZINC001582571698 1281759153 /nfs/dbraw/zinc/75/91/53/1281759153.db2.gz VFKCPBSTCBNJNX-SNVBAGLBSA-N -2 3 352.358 0.371 20 0 FCADHL O=C(c1ccccc1[O-])N1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001582712054 1281917954 /nfs/dbraw/zinc/91/79/54/1281917954.db2.gz ASDYOECZZOJXFX-LLVKDONJSA-N -2 3 366.385 0.501 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001582751329 1281976288 /nfs/dbraw/zinc/97/62/88/1281976288.db2.gz BNUOUTWLFQVHTN-JTQLQIEISA-N -2 3 352.358 0.689 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001582751329 1281976291 /nfs/dbraw/zinc/97/62/91/1281976291.db2.gz BNUOUTWLFQVHTN-JTQLQIEISA-N -2 3 352.358 0.689 20 0 FCADHL O=c1[nH]cccc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582807093 1282031453 /nfs/dbraw/zinc/03/14/53/1282031453.db2.gz VMGYEVWFGUMVND-UHFFFAOYSA-N -2 3 368.325 0.724 20 0 FCADHL CCC(=O)C[C@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(=O)[O-] ZINC001603966171 1287544146 /nfs/dbraw/zinc/54/41/46/1287544146.db2.gz UZRYNFHVBVGECX-NSHDSACASA-N -2 3 367.387 0.276 20 0 FCADHL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1=O ZINC001604083703 1287567882 /nfs/dbraw/zinc/56/78/82/1287567882.db2.gz JNCCQKLILKIANT-CYBMUJFWSA-N -2 3 364.753 0.280 20 0 FCADHL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1=O ZINC001604083703 1287567890 /nfs/dbraw/zinc/56/78/90/1287567890.db2.gz JNCCQKLILKIANT-CYBMUJFWSA-N -2 3 364.753 0.280 20 0 FCADHL CC[C@@H]1CN(CC)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001604109025 1287571497 /nfs/dbraw/zinc/57/14/97/1287571497.db2.gz OITQMYJEJFBIJC-GFCCVEGCSA-N -2 3 357.422 0.531 20 0 FCADHL CC(=O)c1ccc([N-]S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)nc1 ZINC001588915901 1282727799 /nfs/dbraw/zinc/72/77/99/1282727799.db2.gz WIWWJJLFOBTTSL-UHFFFAOYSA-N -2 3 359.371 0.969 20 0 FCADHL CC(=O)c1ccc([N-]S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)nc1 ZINC001588915901 1282727803 /nfs/dbraw/zinc/72/78/03/1282727803.db2.gz WIWWJJLFOBTTSL-UHFFFAOYSA-N -2 3 359.371 0.969 20 0 FCADHL CC(C)(C(=O)[N-]S(=O)(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589054572 1282787306 /nfs/dbraw/zinc/78/73/06/1282787306.db2.gz JMJNHFLNIQMAJG-UHFFFAOYSA-N -2 3 364.431 0.601 20 0 FCADHL CC(C)(C(=O)[N-]S(=O)(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589054572 1282787316 /nfs/dbraw/zinc/78/73/16/1282787316.db2.gz JMJNHFLNIQMAJG-UHFFFAOYSA-N -2 3 364.431 0.601 20 0 FCADHL CC(C)(CC(=O)[O-])NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001589269978 1282822163 /nfs/dbraw/zinc/82/21/63/1282822163.db2.gz PRQPXAUETKBBPZ-UHFFFAOYSA-N -2 3 357.367 0.679 20 0 FCADHL CC(C)(CCNC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001589275637 1282826568 /nfs/dbraw/zinc/82/65/68/1282826568.db2.gz CNOOOKIDDWAQHY-UHFFFAOYSA-N -2 3 360.374 0.100 20 0 FCADHL CC(C)(CCNC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589275637 1282826578 /nfs/dbraw/zinc/82/65/78/1282826578.db2.gz CNOOOKIDDWAQHY-UHFFFAOYSA-N -2 3 360.374 0.100 20 0 FCADHL CC(C)[C@@H](CNC(=O)C(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)C(=O)[O-] ZINC001589441608 1282883684 /nfs/dbraw/zinc/88/36/84/1282883684.db2.gz COAIDXFCZQERRX-CYBMUJFWSA-N -2 3 372.385 0.182 20 0 FCADHL CC(C)[C@@H](CNC(=O)C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)C(=O)[O-] ZINC001589441608 1282883695 /nfs/dbraw/zinc/88/36/95/1282883695.db2.gz COAIDXFCZQERRX-CYBMUJFWSA-N -2 3 372.385 0.182 20 0 FCADHL CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001589456367 1282886999 /nfs/dbraw/zinc/88/69/99/1282886999.db2.gz FBARCFMUSYBPPI-LLVKDONJSA-N -2 3 371.394 0.782 20 0 FCADHL CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001589456367 1282887008 /nfs/dbraw/zinc/88/70/08/1282887008.db2.gz FBARCFMUSYBPPI-LLVKDONJSA-N -2 3 371.394 0.782 20 0 FCADHL C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001604305687 1287604051 /nfs/dbraw/zinc/60/40/51/1287604051.db2.gz HMRXJJXROIQRRC-XPXLGCRWSA-N -2 3 351.359 0.499 20 0 FCADHL CC(C)C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001589555443 1282908808 /nfs/dbraw/zinc/90/88/08/1282908808.db2.gz CBOWXRREBWVFHM-NSHDSACASA-N -2 3 353.404 0.892 20 0 FCADHL CC(C)C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589555443 1282908816 /nfs/dbraw/zinc/90/88/16/1282908816.db2.gz CBOWXRREBWVFHM-NSHDSACASA-N -2 3 353.404 0.892 20 0 FCADHL CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589638921 1282927314 /nfs/dbraw/zinc/92/73/14/1282927314.db2.gz HOWVWEVUHNZLDP-VIFPVBQESA-N -2 3 354.392 0.128 20 0 FCADHL CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589638921 1282927326 /nfs/dbraw/zinc/92/73/26/1282927326.db2.gz HOWVWEVUHNZLDP-VIFPVBQESA-N -2 3 354.392 0.128 20 0 FCADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cnnn2C)cc1-c1nnn[n-]1 ZINC001589758009 1282983389 /nfs/dbraw/zinc/98/33/89/1282983389.db2.gz SNWOKQXUOHBCSZ-UHFFFAOYSA-N -2 3 364.391 0.583 20 0 FCADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cnnn2C)cc1-c1nn[n-]n1 ZINC001589758009 1282983400 /nfs/dbraw/zinc/98/34/00/1282983400.db2.gz SNWOKQXUOHBCSZ-UHFFFAOYSA-N -2 3 364.391 0.583 20 0 FCADHL C[C@H](CN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)[O-] ZINC001589836108 1283076012 /nfs/dbraw/zinc/07/60/12/1283076012.db2.gz JSOFXVAMVQCFAE-SSDOTTSWSA-N -2 3 366.765 0.638 20 0 FCADHL C[C@H](CN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)[O-] ZINC001589836108 1283076021 /nfs/dbraw/zinc/07/60/21/1283076021.db2.gz JSOFXVAMVQCFAE-SSDOTTSWSA-N -2 3 366.765 0.638 20 0 FCADHL C[C@@H](CN(C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001589844323 1283079007 /nfs/dbraw/zinc/07/90/07/1283079007.db2.gz FMBZCEFKKGGRFH-QMMMGPOBSA-N -2 3 357.367 0.488 20 0 FCADHL C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC001589898152 1283114519 /nfs/dbraw/zinc/11/45/19/1283114519.db2.gz VWXAUGOLWWVJAR-GXFFZTMASA-N -2 3 365.415 0.280 20 0 FCADHL C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC001589898152 1283114524 /nfs/dbraw/zinc/11/45/24/1283114524.db2.gz VWXAUGOLWWVJAR-GXFFZTMASA-N -2 3 365.415 0.280 20 0 FCADHL C[C@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)C(=O)[O-] ZINC001589973974 1283150655 /nfs/dbraw/zinc/15/06/55/1283150655.db2.gz KTFRCFUPLBXYJR-YUMQZZPRSA-N -2 3 357.367 0.534 20 0 FCADHL C[C@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)C(=O)[O-] ZINC001589973974 1283150657 /nfs/dbraw/zinc/15/06/57/1283150657.db2.gz KTFRCFUPLBXYJR-YUMQZZPRSA-N -2 3 357.367 0.534 20 0 FCADHL C[C@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl)[C@H](C)C(=O)[O-] ZINC001589973961 1283150704 /nfs/dbraw/zinc/15/07/04/1283150704.db2.gz KLSUJTBQJSKMNP-BQBZGAKWSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC001589976357 1283152672 /nfs/dbraw/zinc/15/26/72/1283152672.db2.gz QTGVVFUMLZLMTN-RQJHMYQMSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001589976357 1283152676 /nfs/dbraw/zinc/15/26/76/1283152676.db2.gz QTGVVFUMLZLMTN-RQJHMYQMSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001590028934 1283182438 /nfs/dbraw/zinc/18/24/38/1283182438.db2.gz OACRKESXHNVWHH-JTQLQIEISA-N -2 3 361.358 0.384 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001590028934 1283182443 /nfs/dbraw/zinc/18/24/43/1283182443.db2.gz OACRKESXHNVWHH-JTQLQIEISA-N -2 3 361.358 0.384 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCOC1 ZINC001590069067 1283199732 /nfs/dbraw/zinc/19/97/32/1283199732.db2.gz SQVBCQZTJVHQRG-CYBMUJFWSA-N -2 3 371.806 0.752 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCOC1 ZINC001590069067 1283199735 /nfs/dbraw/zinc/19/97/35/1283199735.db2.gz SQVBCQZTJVHQRG-CYBMUJFWSA-N -2 3 371.806 0.752 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590071032 1283201835 /nfs/dbraw/zinc/20/18/35/1283201835.db2.gz FWOZAAJDILUCIR-QPUJVOFHSA-N -2 3 357.417 0.850 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590071033 1283202264 /nfs/dbraw/zinc/20/22/64/1283202264.db2.gz FWOZAAJDILUCIR-UFBFGSQYSA-N -2 3 357.417 0.850 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1C(=O)[O-] ZINC001590100160 1283211418 /nfs/dbraw/zinc/21/14/18/1283211418.db2.gz NYEVCMLHAJWNNQ-LLVKDONJSA-N -2 3 369.378 0.880 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001590099409 1283211448 /nfs/dbraw/zinc/21/14/48/1283211448.db2.gz INWZPHUJDJQODF-NSHDSACASA-N -2 3 369.378 0.880 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001590101113 1283214585 /nfs/dbraw/zinc/21/45/85/1283214585.db2.gz XKBJAPXGBZNXSD-LLVKDONJSA-N -2 3 351.388 0.741 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001590101113 1283214590 /nfs/dbraw/zinc/21/45/90/1283214590.db2.gz XKBJAPXGBZNXSD-LLVKDONJSA-N -2 3 351.388 0.741 20 0 FCADHL CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC001604375373 1287625683 /nfs/dbraw/zinc/62/56/83/1287625683.db2.gz BBPKPPPGNVGYGP-ZDUSSCGKSA-N -2 3 371.357 0.203 20 0 FCADHL CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001604375373 1287625691 /nfs/dbraw/zinc/62/56/91/1287625691.db2.gz BBPKPPPGNVGYGP-ZDUSSCGKSA-N -2 3 371.357 0.203 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590165831 1283259557 /nfs/dbraw/zinc/25/95/57/1283259557.db2.gz OXOIMLWNOSBXAO-WRWORJQWSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590165831 1283259563 /nfs/dbraw/zinc/25/95/63/1283259563.db2.gz OXOIMLWNOSBXAO-WRWORJQWSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)C1 ZINC001590186169 1283292728 /nfs/dbraw/zinc/29/27/28/1283292728.db2.gz SXUSSRUEPABPSP-BDAKNGLRSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)C1 ZINC001590186169 1283292738 /nfs/dbraw/zinc/29/27/38/1283292738.db2.gz SXUSSRUEPABPSP-BDAKNGLRSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC001590194305 1283300425 /nfs/dbraw/zinc/30/04/25/1283300425.db2.gz RXFXKEJBMTVNGM-KBVBSXBZSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC001590194305 1283300435 /nfs/dbraw/zinc/30/04/35/1283300435.db2.gz RXFXKEJBMTVNGM-KBVBSXBZSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590226008 1283355308 /nfs/dbraw/zinc/35/53/08/1283355308.db2.gz IXRLVZXXVBTRGQ-DTWKUNHWSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@H]1C(=O)[O-] ZINC001590273010 1283400855 /nfs/dbraw/zinc/40/08/55/1283400855.db2.gz UMUYPAARUOZTEL-QPUJVOFHSA-N -2 3 369.378 0.631 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@H]1C(=O)[O-] ZINC001590273010 1283400860 /nfs/dbraw/zinc/40/08/60/1283400860.db2.gz UMUYPAARUOZTEL-QPUJVOFHSA-N -2 3 369.378 0.631 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@H]1C(=O)[O-] ZINC001590273008 1283401067 /nfs/dbraw/zinc/40/10/67/1283401067.db2.gz UMUYPAARUOZTEL-PRHODGIISA-N -2 3 369.378 0.631 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@H]1C(=O)[O-] ZINC001590273008 1283401072 /nfs/dbraw/zinc/40/10/72/1283401072.db2.gz UMUYPAARUOZTEL-PRHODGIISA-N -2 3 369.378 0.631 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C(=O)[O-] ZINC001590272996 1283401268 /nfs/dbraw/zinc/40/12/68/1283401268.db2.gz UIEGWAKSJLWHFD-CABZTGNLSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1CC(=O)[O-] ZINC001590275746 1283402531 /nfs/dbraw/zinc/40/25/31/1283402531.db2.gz FZPLWQKFYKFJNH-PWSUYJOCSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1CC(=O)[O-] ZINC001590275746 1283402536 /nfs/dbraw/zinc/40/25/36/1283402536.db2.gz FZPLWQKFYKFJNH-PWSUYJOCSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1C(=O)[O-] ZINC001590285682 1283415259 /nfs/dbraw/zinc/41/52/59/1283415259.db2.gz UGXRDJGJSOCADA-SKDRFNHKSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1C(=O)[O-] ZINC001590285682 1283415264 /nfs/dbraw/zinc/41/52/64/1283415264.db2.gz UGXRDJGJSOCADA-SKDRFNHKSA-N -2 3 358.358 0.374 20 0 FCADHL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001590370639 1283505792 /nfs/dbraw/zinc/50/57/92/1283505792.db2.gz IYVDOYJFQVDCJG-SECBINFHSA-N -2 3 361.330 0.629 20 0 FCADHL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590370639 1283505800 /nfs/dbraw/zinc/50/58/00/1283505800.db2.gz IYVDOYJFQVDCJG-SECBINFHSA-N -2 3 361.330 0.629 20 0 FCADHL CC[C@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590403692 1283523805 /nfs/dbraw/zinc/52/38/05/1283523805.db2.gz UZNURAIYAWUSPJ-KWQFWETISA-N -2 3 354.392 0.128 20 0 FCADHL CC[C@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590403692 1283523810 /nfs/dbraw/zinc/52/38/10/1283523810.db2.gz UZNURAIYAWUSPJ-KWQFWETISA-N -2 3 354.392 0.128 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590447522 1283543516 /nfs/dbraw/zinc/54/35/16/1283543516.db2.gz YIJJKTAEGHJIJE-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001590447522 1283543523 /nfs/dbraw/zinc/54/35/23/1283543523.db2.gz YIJJKTAEGHJIJE-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590447523 1283544694 /nfs/dbraw/zinc/54/46/94/1283544694.db2.gz YIJJKTAEGHJIJE-ZETCQYMHSA-N -2 3 359.795 0.909 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001590447523 1283544699 /nfs/dbraw/zinc/54/46/99/1283544699.db2.gz YIJJKTAEGHJIJE-ZETCQYMHSA-N -2 3 359.795 0.909 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001590500582 1283570717 /nfs/dbraw/zinc/57/07/17/1283570717.db2.gz SAWUWLXFHAXUBA-JQWIXIFHSA-N -2 3 366.403 0.444 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001590500582 1283570723 /nfs/dbraw/zinc/57/07/23/1283570723.db2.gz SAWUWLXFHAXUBA-JQWIXIFHSA-N -2 3 366.403 0.444 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)O1 ZINC001590505983 1283575509 /nfs/dbraw/zinc/57/55/09/1283575509.db2.gz RMTJNOGKJONNQT-ONGXEEELSA-N -2 3 352.376 0.024 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)O1 ZINC001590505983 1283575518 /nfs/dbraw/zinc/57/55/18/1283575518.db2.gz RMTJNOGKJONNQT-ONGXEEELSA-N -2 3 352.376 0.024 20 0 FCADHL CCC[C@H](OC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590561199 1283607659 /nfs/dbraw/zinc/60/76/59/1283607659.db2.gz USGXKFOQFCTTRR-LBPRGKRZSA-N -2 3 353.404 0.628 20 0 FCADHL CCC[C@H](OC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590561199 1283607669 /nfs/dbraw/zinc/60/76/69/1283607669.db2.gz USGXKFOQFCTTRR-LBPRGKRZSA-N -2 3 353.404 0.628 20 0 FCADHL CCCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001590613091 1283650339 /nfs/dbraw/zinc/65/03/39/1283650339.db2.gz RPIPGDJZAAJTJI-NSHDSACASA-N -2 3 357.367 0.928 20 0 FCADHL CCCN(C)S(=O)(=O)N(CC(=O)[O-])Cc1cccc(-c2nn[n-]n2)c1 ZINC001590620276 1283657801 /nfs/dbraw/zinc/65/78/01/1283657801.db2.gz XILUFSVALOHEGR-UHFFFAOYSA-N -2 3 368.419 0.340 20 0 FCADHL CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001590628292 1283667660 /nfs/dbraw/zinc/66/76/60/1283667660.db2.gz WZDSYTYVRLQKRJ-LLVKDONJSA-N -2 3 374.401 0.442 20 0 FCADHL CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001590628292 1283667676 /nfs/dbraw/zinc/66/76/76/1283667676.db2.gz WZDSYTYVRLQKRJ-LLVKDONJSA-N -2 3 374.401 0.442 20 0 FCADHL CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001590628293 1283671782 /nfs/dbraw/zinc/67/17/82/1283671782.db2.gz WZDSYTYVRLQKRJ-NSHDSACASA-N -2 3 374.401 0.442 20 0 FCADHL CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001590628293 1283671798 /nfs/dbraw/zinc/67/17/98/1283671798.db2.gz WZDSYTYVRLQKRJ-NSHDSACASA-N -2 3 374.401 0.442 20 0 FCADHL CCCSC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001590651844 1283702976 /nfs/dbraw/zinc/70/29/76/1283702976.db2.gz MUKFGBHSZCEVHL-LLVKDONJSA-N -2 3 371.444 0.741 20 0 FCADHL CCCSC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001590651844 1283702981 /nfs/dbraw/zinc/70/29/81/1283702981.db2.gz MUKFGBHSZCEVHL-LLVKDONJSA-N -2 3 371.444 0.741 20 0 FCADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001590677426 1283724433 /nfs/dbraw/zinc/72/44/33/1283724433.db2.gz YKJNVDWUGFIIEM-QMMMGPOBSA-N -2 3 357.367 0.880 20 0 FCADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590677117 1283725844 /nfs/dbraw/zinc/72/58/44/1283725844.db2.gz QZSSFADJMKSECF-QMMMGPOBSA-N -2 3 357.367 0.880 20 0 FCADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590677117 1283725852 /nfs/dbraw/zinc/72/58/52/1283725852.db2.gz QZSSFADJMKSECF-QMMMGPOBSA-N -2 3 357.367 0.880 20 0 FCADHL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590789884 1283847033 /nfs/dbraw/zinc/84/70/33/1283847033.db2.gz DBTWNOJFRGYQJE-RYUDHWBXSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590789884 1283847048 /nfs/dbraw/zinc/84/70/48/1283847048.db2.gz DBTWNOJFRGYQJE-RYUDHWBXSA-N -2 3 351.388 0.238 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001590815427 1283894706 /nfs/dbraw/zinc/89/47/06/1283894706.db2.gz RBOHTYDYMJKKSQ-UHFFFAOYSA-N -2 3 368.419 0.029 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001590815427 1283894715 /nfs/dbraw/zinc/89/47/15/1283894715.db2.gz RBOHTYDYMJKKSQ-UHFFFAOYSA-N -2 3 368.419 0.029 20 0 FCADHL CCc1nn(C)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1OC ZINC001590929224 1283978219 /nfs/dbraw/zinc/97/82/19/1283978219.db2.gz AZQAHQZKZMKQCP-UHFFFAOYSA-N -2 3 363.403 0.972 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC001604617385 1287691008 /nfs/dbraw/zinc/69/10/08/1287691008.db2.gz CJHPPMLTCNKGHD-UHFFFAOYSA-N -2 3 367.347 0.264 20 0 FCADHL CN(CCCNc1cnc(-c2nnn[n-]2)cn1)C(=O)c1ncccc1[O-] ZINC001591083426 1284153724 /nfs/dbraw/zinc/15/37/24/1284153724.db2.gz LXZCGRRBYJWMTG-UHFFFAOYSA-N -2 3 355.362 0.332 20 0 FCADHL CN(CCCNc1cnc(-c2nn[n-]n2)cn1)C(=O)c1ncccc1[O-] ZINC001591083426 1284153729 /nfs/dbraw/zinc/15/37/29/1284153729.db2.gz LXZCGRRBYJWMTG-UHFFFAOYSA-N -2 3 355.362 0.332 20 0 FCADHL COC(=O)Cc1csc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)n1 ZINC001591271338 1284426038 /nfs/dbraw/zinc/42/60/38/1284426038.db2.gz GQKMZJFUKFCSIG-UHFFFAOYSA-N -2 3 360.355 0.997 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c(F)c1 ZINC001591298203 1284450413 /nfs/dbraw/zinc/45/04/13/1284450413.db2.gz GFNMYBXXXDOUDA-UHFFFAOYSA-N -2 3 367.322 0.316 20 0 FCADHL COC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001591315817 1284464036 /nfs/dbraw/zinc/46/40/36/1284464036.db2.gz GJGKWTIYIYFSTA-UHFFFAOYSA-N -2 3 353.404 0.795 20 0 FCADHL COC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001591315817 1284464046 /nfs/dbraw/zinc/46/40/46/1284464046.db2.gz GJGKWTIYIYFSTA-UHFFFAOYSA-N -2 3 353.404 0.795 20 0 FCADHL CO[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001591320931 1284470154 /nfs/dbraw/zinc/47/01/54/1284470154.db2.gz MGBUUBAMIXOXRH-MRVPVSSYSA-N -2 3 357.367 0.377 20 0 FCADHL CO[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001591320931 1284470158 /nfs/dbraw/zinc/47/01/58/1284470158.db2.gz MGBUUBAMIXOXRH-MRVPVSSYSA-N -2 3 357.367 0.377 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1sccc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC001591333260 1284475480 /nfs/dbraw/zinc/47/54/80/1284475480.db2.gz KJKSROOCJFUDEV-PSASIEDQSA-N -2 3 359.433 0.721 20 0 FCADHL CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001591348573 1284485045 /nfs/dbraw/zinc/48/50/45/1284485045.db2.gz WDJWDCQPEZPBOQ-WDEREUQCSA-N -2 3 351.388 0.487 20 0 FCADHL CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591348573 1284485049 /nfs/dbraw/zinc/48/50/49/1284485049.db2.gz WDJWDCQPEZPBOQ-WDEREUQCSA-N -2 3 351.388 0.487 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@@](C)(C(=O)[O-])C1 ZINC001591361566 1284498190 /nfs/dbraw/zinc/49/81/90/1284498190.db2.gz NKLUBEACGOGFLR-JVXZTZIISA-N -2 3 373.416 0.181 20 0 FCADHL COCC1(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)CC1 ZINC001591390721 1284530629 /nfs/dbraw/zinc/53/06/29/1284530629.db2.gz NHNKMJSHXHUNRT-UHFFFAOYSA-N -2 3 352.420 0.853 20 0 FCADHL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001591421137 1284570470 /nfs/dbraw/zinc/57/04/70/1284570470.db2.gz RCFUCASDRYETCC-JTQLQIEISA-N -2 3 369.403 0.285 20 0 FCADHL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001591421137 1284570480 /nfs/dbraw/zinc/57/04/80/1284570480.db2.gz RCFUCASDRYETCC-JTQLQIEISA-N -2 3 369.403 0.285 20 0 FCADHL CO[N-]C(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC001591467639 1284639986 /nfs/dbraw/zinc/63/99/86/1284639986.db2.gz UEDHEAYXEPRCEH-UHFFFAOYSA-N -2 3 355.314 0.670 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001591490722 1284668909 /nfs/dbraw/zinc/66/89/09/1284668909.db2.gz XUAKAUAWCZGIMY-VHSXEESVSA-N -2 3 374.357 0.183 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001591490722 1284668923 /nfs/dbraw/zinc/66/89/23/1284668923.db2.gz XUAKAUAWCZGIMY-VHSXEESVSA-N -2 3 374.357 0.183 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC001591494494 1284670730 /nfs/dbraw/zinc/67/07/30/1284670730.db2.gz HVUUKWCCIQNFDJ-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(C)C ZINC001591505408 1284688380 /nfs/dbraw/zinc/68/83/80/1284688380.db2.gz HAYAGJQJXFPYDW-MNOVXSKESA-N -2 3 365.415 0.972 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(C)C ZINC001591505408 1284688387 /nfs/dbraw/zinc/68/83/87/1284688387.db2.gz HAYAGJQJXFPYDW-MNOVXSKESA-N -2 3 365.415 0.972 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C(C)C ZINC001591505410 1284689388 /nfs/dbraw/zinc/68/93/88/1284689388.db2.gz HAYAGJQJXFPYDW-WDEREUQCSA-N -2 3 365.415 0.972 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C(C)C ZINC001591505410 1284689402 /nfs/dbraw/zinc/68/94/02/1284689402.db2.gz HAYAGJQJXFPYDW-WDEREUQCSA-N -2 3 365.415 0.972 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@]1(C)CC1(F)F ZINC001591507613 1284696978 /nfs/dbraw/zinc/69/69/78/1284696978.db2.gz XPVWXXQJQJDGCC-LBPRGKRZSA-N -2 3 373.341 0.726 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@]1(C)CC1(F)F ZINC001591507613 1284696989 /nfs/dbraw/zinc/69/69/89/1284696989.db2.gz XPVWXXQJQJDGCC-LBPRGKRZSA-N -2 3 373.341 0.726 20 0 FCADHL COc1ncc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1-c1nnn[n-]1 ZINC001591667845 1284800242 /nfs/dbraw/zinc/80/02/42/1284800242.db2.gz HARKTOPWWYCJRI-UHFFFAOYSA-N -2 3 369.370 0.854 20 0 FCADHL CSCC[C@@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(=O)[O-] ZINC001591698920 1284837592 /nfs/dbraw/zinc/83/75/92/1284837592.db2.gz CBAJOFOVEUQYLP-SNVBAGLBSA-N -2 3 371.444 0.660 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)C2CCOCC2)cccc1-c1nnn[n-]1 ZINC001591810025 1284922505 /nfs/dbraw/zinc/92/25/05/1284922505.db2.gz NCRMODINOYZJGV-UHFFFAOYSA-N -2 3 351.388 0.414 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)C2CCOCC2)cccc1-c1nn[n-]n1 ZINC001591810025 1284922510 /nfs/dbraw/zinc/92/25/10/1284922510.db2.gz NCRMODINOYZJGV-UHFFFAOYSA-N -2 3 351.388 0.414 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC001591824261 1284928536 /nfs/dbraw/zinc/92/85/36/1284928536.db2.gz PAJWQLPHOBUFED-MWLCHTKSSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC001591824261 1284928546 /nfs/dbraw/zinc/92/85/46/1284928546.db2.gz PAJWQLPHOBUFED-MWLCHTKSSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001591842354 1284946677 /nfs/dbraw/zinc/94/66/77/1284946677.db2.gz LIQFVRWEYZUBGS-FZKQIMNGSA-N -2 3 371.397 0.586 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001591842354 1284946683 /nfs/dbraw/zinc/94/66/83/1284946683.db2.gz LIQFVRWEYZUBGS-FZKQIMNGSA-N -2 3 371.397 0.586 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC001591863307 1284953937 /nfs/dbraw/zinc/95/39/37/1284953937.db2.gz OXZKYNCHWZNZFX-NSHDSACASA-N -2 3 365.415 0.661 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC001591863307 1284953949 /nfs/dbraw/zinc/95/39/49/1284953949.db2.gz OXZKYNCHWZNZFX-NSHDSACASA-N -2 3 365.415 0.661 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-] ZINC001591870941 1284958794 /nfs/dbraw/zinc/95/87/94/1284958794.db2.gz UFNSAVVWAZSQSQ-LBPRGKRZSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-] ZINC001591870941 1284958800 /nfs/dbraw/zinc/95/88/00/1284958800.db2.gz UFNSAVVWAZSQSQ-LBPRGKRZSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1 ZINC001591873601 1284961946 /nfs/dbraw/zinc/96/19/46/1284961946.db2.gz UTQIVZPOLIYHIG-GFCCVEGCSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1 ZINC001591873601 1284961956 /nfs/dbraw/zinc/96/19/56/1284961956.db2.gz UTQIVZPOLIYHIG-GFCCVEGCSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ncc1-c1nnn[n-]1 ZINC001591913545 1285005454 /nfs/dbraw/zinc/00/54/54/1285005454.db2.gz OCBLQTBYBDUKLS-SECBINFHSA-N -2 3 355.362 0.414 20 0 FCADHL Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ncc1-c1nn[n-]n1 ZINC001591913545 1285005462 /nfs/dbraw/zinc/00/54/62/1285005462.db2.gz OCBLQTBYBDUKLS-SECBINFHSA-N -2 3 355.362 0.414 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1-c1nnn[n-]1 ZINC001592063989 1285101053 /nfs/dbraw/zinc/10/10/53/1285101053.db2.gz ORVCVWOVMBTNML-ZWNOBZJWSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1-c1nn[n-]n1 ZINC001592063989 1285101059 /nfs/dbraw/zinc/10/10/59/1285101059.db2.gz ORVCVWOVMBTNML-ZWNOBZJWSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592066553 1285106616 /nfs/dbraw/zinc/10/66/16/1285106616.db2.gz ZFWSHEMFFUMRGE-SNVBAGLBSA-N -2 3 367.387 0.039 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592066553 1285106626 /nfs/dbraw/zinc/10/66/26/1285106626.db2.gz ZFWSHEMFFUMRGE-SNVBAGLBSA-N -2 3 367.387 0.039 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001592101662 1285138583 /nfs/dbraw/zinc/13/85/83/1285138583.db2.gz BIFRNDIVWPSQRG-LBPRGKRZSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001592101662 1285138591 /nfs/dbraw/zinc/13/85/91/1285138591.db2.gz BIFRNDIVWPSQRG-LBPRGKRZSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-] ZINC001592109178 1285143437 /nfs/dbraw/zinc/14/34/37/1285143437.db2.gz DPMILYGFRQEJIZ-UHFFFAOYSA-N -3 3 353.360 0.091 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-] ZINC001592109178 1285143444 /nfs/dbraw/zinc/14/34/44/1285143444.db2.gz DPMILYGFRQEJIZ-UHFFFAOYSA-N -3 3 353.360 0.091 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)nc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001592110372 1285144945 /nfs/dbraw/zinc/14/49/45/1285144945.db2.gz NEBTVBJBFDKBDV-LLVKDONJSA-N -2 3 371.401 0.472 20 0 FCADHL Cc1ccc(CN2c3c(cnn3C)C([O-])=CS2(=O)=O)cc1-c1nnn[n-]1 ZINC001592156812 1285166902 /nfs/dbraw/zinc/16/69/02/1285166902.db2.gz PTNJWHXMKPYDAI-UHFFFAOYSA-N -2 3 373.398 0.441 20 0 FCADHL Cc1ccc(CN2c3c(cnn3C)C([O-])=CS2(=O)=O)cc1-c1nn[n-]n1 ZINC001592156812 1285166907 /nfs/dbraw/zinc/16/69/07/1285166907.db2.gz PTNJWHXMKPYDAI-UHFFFAOYSA-N -2 3 373.398 0.441 20 0 FCADHL Cc1ccc(N2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)nc1-c1nnn[n-]1 ZINC001592175366 1285169357 /nfs/dbraw/zinc/16/93/57/1285169357.db2.gz QSJHNRMXZCQWGT-VXGBXAGGSA-N -2 3 368.401 0.998 20 0 FCADHL Cc1nc(N2CCN(c3ccc(C(=O)[O-])cn3)CC2)ccc1-c1nnn[n-]1 ZINC001592372746 1285285856 /nfs/dbraw/zinc/28/58/56/1285285856.db2.gz WWXVAUFHSOOOJF-UHFFFAOYSA-N -2 3 366.385 0.990 20 0 FCADHL Cc1nc(N2CCN(c3ccc(C(=O)[O-])cn3)CC2)ccc1-c1nn[n-]n1 ZINC001592372746 1285285867 /nfs/dbraw/zinc/28/58/67/1285285867.db2.gz WWXVAUFHSOOOJF-UHFFFAOYSA-N -2 3 366.385 0.990 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-])cc1-c1nnn[n-]1 ZINC001592413975 1285334165 /nfs/dbraw/zinc/33/41/65/1285334165.db2.gz XENHCFHDTTVKTJ-VIFPVBQESA-N -2 3 368.419 0.882 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-])cc1-c1nn[n-]n1 ZINC001592413975 1285334176 /nfs/dbraw/zinc/33/41/76/1285334176.db2.gz XENHCFHDTTVKTJ-VIFPVBQESA-N -2 3 368.419 0.882 20 0 FCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1c(-c2nnn[n-]2)cnn1C ZINC001592431452 1285365973 /nfs/dbraw/zinc/36/59/73/1285365973.db2.gz XXBSYIKOPPGCAJ-UHFFFAOYSA-N -2 3 357.787 0.096 20 0 FCADHL Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)n1 ZINC001592455383 1285393250 /nfs/dbraw/zinc/39/32/50/1285393250.db2.gz BTPXDGNJWCTYOC-NSHDSACASA-N -2 3 364.391 0.629 20 0 FCADHL Cn1c2ccc(S(=O)(=O)[N-]c3cc(-c4nnn[n-]4)ccn3)cc2oc1=O ZINC001592546084 1285454270 /nfs/dbraw/zinc/45/42/70/1285454270.db2.gz IMTMTDLNPGFCJS-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL Cn1c2ccc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccn3)cc2oc1=O ZINC001592546084 1285454274 /nfs/dbraw/zinc/45/42/74/1285454274.db2.gz IMTMTDLNPGFCJS-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL Cn1c(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)ccc1-c1nnn[n-]1 ZINC001592552543 1285462115 /nfs/dbraw/zinc/46/21/15/1285462115.db2.gz ADGULOFVFIEFEP-UHFFFAOYSA-N -2 3 352.318 0.139 20 0 FCADHL Cn1c(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)ccc1-c1nn[n-]n1 ZINC001592552543 1285462125 /nfs/dbraw/zinc/46/21/25/1285462125.db2.gz ADGULOFVFIEFEP-UHFFFAOYSA-N -2 3 352.318 0.139 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)CC2Cc3ccccc3C2)n1 ZINC001592559748 1285471531 /nfs/dbraw/zinc/47/15/31/1285471531.db2.gz CNIRHPNWZDVJHM-UHFFFAOYSA-N -2 3 359.415 0.757 20 0 FCADHL Cn1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)c3ccccc3n2)n1 ZINC001592582165 1285507682 /nfs/dbraw/zinc/50/76/82/1285507682.db2.gz UKCSVKLZGOBEGC-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL Cn1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)c3ccccc3n2)n1 ZINC001592582165 1285507689 /nfs/dbraw/zinc/50/76/89/1285507689.db2.gz UKCSVKLZGOBEGC-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]c1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001592606952 1285547247 /nfs/dbraw/zinc/54/72/47/1285547247.db2.gz NKLSIYVDXSZCGB-UHFFFAOYSA-N -2 3 373.358 0.451 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]c1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001592606952 1285547254 /nfs/dbraw/zinc/54/72/54/1285547254.db2.gz NKLSIYVDXSZCGB-UHFFFAOYSA-N -2 3 373.358 0.451 20 0 FCADHL Cn1[n-]nnc1=NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001592612711 1285555121 /nfs/dbraw/zinc/55/51/21/1285555121.db2.gz PTOZJGJYFPOJQB-UHFFFAOYSA-N -2 3 367.329 0.236 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)c1ncccc1F ZINC001592797426 1285720608 /nfs/dbraw/zinc/72/06/08/1285720608.db2.gz HLRDHXHKMOKWBC-FPLPWBNLSA-N -2 3 374.357 0.919 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)c1ncccc1F ZINC001592797426 1285720618 /nfs/dbraw/zinc/72/06/18/1285720618.db2.gz HLRDHXHKMOKWBC-FPLPWBNLSA-N -2 3 374.357 0.919 20 0 FCADHL O=C(C[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001592826093 1285741295 /nfs/dbraw/zinc/74/12/95/1285741295.db2.gz IQRROXVQYRDQDX-VIFPVBQESA-N -2 3 369.378 0.378 20 0 FCADHL O=C(C[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001592826093 1285741301 /nfs/dbraw/zinc/74/13/01/1285741301.db2.gz IQRROXVQYRDQDX-VIFPVBQESA-N -2 3 369.378 0.378 20 0 FCADHL O=C(CC[C@H]1CCOC1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592833401 1285745014 /nfs/dbraw/zinc/74/50/14/1285745014.db2.gz COVRBXVNWLTXIZ-JTQLQIEISA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CC[C@H]1CCOC1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592833401 1285745018 /nfs/dbraw/zinc/74/50/18/1285745018.db2.gz COVRBXVNWLTXIZ-JTQLQIEISA-N -2 3 351.388 0.488 20 0 FCADHL CN(C)C(=O)C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC001609263232 1289028706 /nfs/dbraw/zinc/02/87/06/1289028706.db2.gz ARFSNLSOOBMCRV-UHFFFAOYSA-N -2 3 372.357 0.044 20 0 FCADHL O=C(CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001592868051 1285773379 /nfs/dbraw/zinc/77/33/79/1285773379.db2.gz UWPLAQFUTJDFCA-LLVKDONJSA-N -2 3 369.389 0.509 20 0 FCADHL O=C(CSc1n[n-]c(=S)s1)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001592906887 1285805131 /nfs/dbraw/zinc/80/51/31/1285805131.db2.gz WNLSGMQMFNLLMO-UHFFFAOYSA-N -2 3 366.457 0.810 20 0 FCADHL O=C(CSc1n[n-]c(=S)s1)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001592906887 1285805135 /nfs/dbraw/zinc/80/51/35/1285805135.db2.gz WNLSGMQMFNLLMO-UHFFFAOYSA-N -2 3 366.457 0.810 20 0 FCADHL CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609282401 1289045389 /nfs/dbraw/zinc/04/53/89/1289045389.db2.gz WOJCNPHGQNGZQD-UHFFFAOYSA-N -2 3 360.355 0.785 20 0 FCADHL CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609282401 1289045396 /nfs/dbraw/zinc/04/53/96/1289045396.db2.gz WOJCNPHGQNGZQD-UHFFFAOYSA-N -2 3 360.355 0.785 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001593170367 1286025736 /nfs/dbraw/zinc/02/57/36/1286025736.db2.gz GQLMJUWRZUVPGO-ZJUUUORDSA-N -2 3 359.264 0.623 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001593170367 1286025738 /nfs/dbraw/zinc/02/57/38/1286025738.db2.gz GQLMJUWRZUVPGO-ZJUUUORDSA-N -2 3 359.264 0.623 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001593169330 1286026081 /nfs/dbraw/zinc/02/60/81/1286026081.db2.gz PXIQPXSDVMMYCY-DOMZBBRYSA-N -2 3 358.402 0.920 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@H](F)c1ccccc1 ZINC001593172768 1286026727 /nfs/dbraw/zinc/02/67/27/1286026727.db2.gz NRUBMCRFIZYUQE-GFCCVEGCSA-N -2 3 362.346 0.777 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@H](F)c1ccccc1 ZINC001593172768 1286026733 /nfs/dbraw/zinc/02/67/33/1286026733.db2.gz NRUBMCRFIZYUQE-GFCCVEGCSA-N -2 3 362.346 0.777 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@@H](F)c1ccccc1 ZINC001593172769 1286026799 /nfs/dbraw/zinc/02/67/99/1286026799.db2.gz NRUBMCRFIZYUQE-LBPRGKRZSA-N -2 3 362.346 0.777 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@@H](F)c1ccccc1 ZINC001593172769 1286026804 /nfs/dbraw/zinc/02/68/04/1286026804.db2.gz NRUBMCRFIZYUQE-LBPRGKRZSA-N -2 3 362.346 0.777 20 0 FCADHL O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)c1ncccc1[O-] ZINC001593193542 1286036328 /nfs/dbraw/zinc/03/63/28/1286036328.db2.gz DOGLFBKEVGIXQY-YABSGUDNSA-N -2 3 364.369 0.227 20 0 FCADHL O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)c1ncccc1[O-] ZINC001593193542 1286036332 /nfs/dbraw/zinc/03/63/32/1286036332.db2.gz DOGLFBKEVGIXQY-YABSGUDNSA-N -2 3 364.369 0.227 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc(-c2nnn[n-]2)ccc1F ZINC001593222894 1286045966 /nfs/dbraw/zinc/04/59/66/1286045966.db2.gz FNFDOHBWXWSSHQ-UHFFFAOYSA-N -2 3 367.304 0.939 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc(-c2nn[n-]n2)ccc1F ZINC001593222894 1286045967 /nfs/dbraw/zinc/04/59/67/1286045967.db2.gz FNFDOHBWXWSSHQ-UHFFFAOYSA-N -2 3 367.304 0.939 20 0 FCADHL O=C([O-])[C@H]1CC12CCN(S(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC001593273930 1286057621 /nfs/dbraw/zinc/05/76/21/1286057621.db2.gz JHZQAJNDJOMORN-LLVKDONJSA-N -2 3 363.399 0.742 20 0 FCADHL O=C([O-])[C@H]1CC12CCN(S(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC001593273930 1286057624 /nfs/dbraw/zinc/05/76/24/1286057624.db2.gz JHZQAJNDJOMORN-LLVKDONJSA-N -2 3 363.399 0.742 20 0 FCADHL O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001593277029 1286060129 /nfs/dbraw/zinc/06/01/29/1286060129.db2.gz XLKOBVOROPRKBC-GFCCVEGCSA-N -2 3 363.355 0.434 20 0 FCADHL O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001593277029 1286060134 /nfs/dbraw/zinc/06/01/34/1286060134.db2.gz XLKOBVOROPRKBC-GFCCVEGCSA-N -2 3 363.355 0.434 20 0 FCADHL O=C([O-])C1(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCC1 ZINC001593276819 1286060255 /nfs/dbraw/zinc/06/02/55/1286060255.db2.gz UICNHCRMXWZMBU-UHFFFAOYSA-N -2 3 357.374 0.165 20 0 FCADHL O=C([O-])C1(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCC1 ZINC001593276819 1286060259 /nfs/dbraw/zinc/06/02/59/1286060259.db2.gz UICNHCRMXWZMBU-UHFFFAOYSA-N -2 3 357.374 0.165 20 0 FCADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001593279139 1286062097 /nfs/dbraw/zinc/06/20/97/1286062097.db2.gz SDVDHOKUQGCCJK-UHFFFAOYSA-N -3 3 364.318 0.900 20 0 FCADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001593279139 1286062098 /nfs/dbraw/zinc/06/20/98/1286062098.db2.gz SDVDHOKUQGCCJK-UHFFFAOYSA-N -3 3 364.318 0.900 20 0 FCADHL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001593279497 1286063082 /nfs/dbraw/zinc/06/30/82/1286063082.db2.gz OHFBADNNIQIKEC-NSHDSACASA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001593279497 1286063086 /nfs/dbraw/zinc/06/30/86/1286063086.db2.gz OHFBADNNIQIKEC-NSHDSACASA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001593279772 1286063235 /nfs/dbraw/zinc/06/32/35/1286063235.db2.gz YBUPVMCKGZIHFQ-JTQLQIEISA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC001593284071 1286064961 /nfs/dbraw/zinc/06/49/61/1286064961.db2.gz WTGFZLSHIHKTTO-UHFFFAOYSA-N -2 3 355.357 0.698 20 0 FCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001593307615 1286069147 /nfs/dbraw/zinc/06/91/47/1286069147.db2.gz SYSFPAGDVIIHOX-UHFFFAOYSA-N -2 3 356.224 0.461 20 0 FCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593307615 1286069149 /nfs/dbraw/zinc/06/91/49/1286069149.db2.gz SYSFPAGDVIIHOX-UHFFFAOYSA-N -2 3 356.224 0.461 20 0 FCADHL O=C([N-]CC1CN(C(=O)c2ccsc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001593360962 1286090542 /nfs/dbraw/zinc/09/05/42/1286090542.db2.gz NOATXXREGQHVAV-UHFFFAOYSA-N -2 3 360.321 0.679 20 0 FCADHL O=C([N-]CC1CN(C(=O)c2ccsc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001593360962 1286090549 /nfs/dbraw/zinc/09/05/49/1286090549.db2.gz NOATXXREGQHVAV-UHFFFAOYSA-N -2 3 360.321 0.679 20 0 FCADHL O=C1NCCCN1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001593407801 1286129943 /nfs/dbraw/zinc/12/99/43/1286129943.db2.gz PFGAQTJDGZVAMB-UHFFFAOYSA-N -2 3 357.783 0.129 20 0 FCADHL O=C1NCCCN1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001593407801 1286129949 /nfs/dbraw/zinc/12/99/49/1286129949.db2.gz PFGAQTJDGZVAMB-UHFFFAOYSA-N -2 3 357.783 0.129 20 0 FCADHL O=S(=O)([N-]CC(F)(F)CO)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593435000 1286156574 /nfs/dbraw/zinc/15/65/74/1286156574.db2.gz IPUWLWXFGDPDKX-UHFFFAOYSA-N -2 3 355.273 0.051 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)CC2CCOCC2)CCC(C(=O)[O-])CC1 ZINC001598724422 1286400661 /nfs/dbraw/zinc/40/06/61/1286400661.db2.gz NGXXXTXVJNCXDW-UHFFFAOYSA-N -2 3 363.432 0.519 20 0 FCADHL Cc1c(C(=O)[O-])cc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1C ZINC001599988324 1286419398 /nfs/dbraw/zinc/41/93/98/1286419398.db2.gz DJBYTZWMXJPZNT-NSHDSACASA-N -2 3 374.401 0.605 20 0 FCADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])s1 ZINC001600070785 1286437193 /nfs/dbraw/zinc/43/71/93/1286437193.db2.gz HOXQTJLDLFTCCO-ZCFIWIBFSA-N -2 3 358.235 0.933 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)CCS(C)(=O)=O)oc1C(=O)[O-] ZINC001600296704 1286471386 /nfs/dbraw/zinc/47/13/86/1286471386.db2.gz FSKFGDLVZKFEIV-UHFFFAOYSA-N -2 3 353.418 0.778 20 0 FCADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](CC2OCCO2)C(=O)[O-])c1 ZINC001600623249 1286516255 /nfs/dbraw/zinc/51/62/55/1286516255.db2.gz GVXGEQYIMFNTON-QMMMGPOBSA-N -2 3 350.780 0.538 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2ccc([S@@](C)=O)cc2)c1C(=O)[O-] ZINC001600673737 1286524761 /nfs/dbraw/zinc/52/47/61/1286524761.db2.gz MRNQREKYCMUUHS-JOCHJYFZSA-N -2 3 357.413 0.632 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)c3ccccc32)c1C(=O)[O-] ZINC001600673845 1286525148 /nfs/dbraw/zinc/52/51/48/1286525148.db2.gz WANHGBKLHDCLCS-VIFPVBQESA-N -2 3 371.396 0.223 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2COc3cc(F)ccc3C2)c1C(=O)[O-] ZINC001600673436 1286525397 /nfs/dbraw/zinc/52/53/97/1286525397.db2.gz QJMCBVJNLHJKJK-SNVBAGLBSA-N -2 3 355.347 0.837 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1C(=O)[O-] ZINC001600673446 1286525448 /nfs/dbraw/zinc/52/54/48/1286525448.db2.gz QNESZFDDANHSKB-IUCAKERBSA-N -2 3 365.433 0.050 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1C(=O)[O-] ZINC001600675035 1286525841 /nfs/dbraw/zinc/52/58/41/1286525841.db2.gz YVELKFIKDDSSTA-VIFPVBQESA-N -2 3 374.419 0.704 20 0 FCADHL Cc1nc(C)c(CCC(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)c(=O)[n-]1 ZINC001600691416 1286527310 /nfs/dbraw/zinc/52/73/10/1286527310.db2.gz HVIDECFHMAVIHX-UHFFFAOYSA-N -2 3 362.386 0.954 20 0 FCADHL Cc1nc(C)c(CC(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)c(=O)[n-]1 ZINC001600691994 1286527505 /nfs/dbraw/zinc/52/75/05/1286527505.db2.gz ZNSOQWIVFSQXGD-LBPRGKRZSA-N -2 3 351.359 0.350 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609309338 1289080997 /nfs/dbraw/zinc/08/09/97/1289080997.db2.gz ZQQMYWKQAAZVEH-JARNTUPDSA-N -2 3 351.388 0.361 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609309338 1289081002 /nfs/dbraw/zinc/08/10/02/1289081002.db2.gz ZQQMYWKQAAZVEH-JARNTUPDSA-N -2 3 351.388 0.361 20 0 FCADHL CO[C@H](C)CS(=O)(=O)[N-]C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001609308064 1289082294 /nfs/dbraw/zinc/08/22/94/1289082294.db2.gz BBVVWJUZFQWLFG-SNVBAGLBSA-N -2 3 365.415 0.379 20 0 FCADHL CO[C@H](C)CS(=O)(=O)[N-]C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001609308064 1289082304 /nfs/dbraw/zinc/08/23/04/1289082304.db2.gz BBVVWJUZFQWLFG-SNVBAGLBSA-N -2 3 365.415 0.379 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CC[C@@H]2C(=O)[O-])CCCC1 ZINC001600810120 1286550513 /nfs/dbraw/zinc/55/05/13/1286550513.db2.gz VHMJQWRTUDSUAT-LLVKDONJSA-N -2 3 371.415 0.568 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C(N)=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001600855600 1286557971 /nfs/dbraw/zinc/55/79/71/1286557971.db2.gz QTIICJWNORLVAA-GFCCVEGCSA-N -2 3 356.331 0.930 20 0 FCADHL Cn1cc(N2CC[C@H]([N-]S(=O)(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])C2=O)cn1 ZINC001600958743 1286580556 /nfs/dbraw/zinc/58/05/56/1286580556.db2.gz ODRICAHITDZSDF-RWMBFGLXSA-N -2 3 370.431 0.088 20 0 FCADHL COC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609316640 1289087150 /nfs/dbraw/zinc/08/71/50/1289087150.db2.gz IHHOKDMGTUBMHF-QWRGUYRKSA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609316640 1289087154 /nfs/dbraw/zinc/08/71/54/1289087154.db2.gz IHHOKDMGTUBMHF-QWRGUYRKSA-N -2 3 367.431 0.731 20 0 FCADHL Cn1ccnc1[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001600983747 1286588554 /nfs/dbraw/zinc/58/85/54/1286588554.db2.gz AOAYUOWMARSQGO-ONGXEEELSA-N -2 3 355.372 0.910 20 0 FCADHL Cn1nccc1[C@H]([N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC001601035238 1286612693 /nfs/dbraw/zinc/61/26/93/1286612693.db2.gz NEEVDIFLIDQNBE-QMMMGPOBSA-N -2 3 364.177 0.880 20 0 FCADHL COC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609316856 1289087914 /nfs/dbraw/zinc/08/79/14/1289087914.db2.gz QDRFXBPQBNEVNV-QWRGUYRKSA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609316856 1289087921 /nfs/dbraw/zinc/08/79/21/1289087921.db2.gz QDRFXBPQBNEVNV-QWRGUYRKSA-N -2 3 367.431 0.731 20 0 FCADHL [NH3+]CCCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001601186336 1286679830 /nfs/dbraw/zinc/67/98/30/1286679830.db2.gz GNNRBXQPILEFMP-QMMMGPOBSA-N -2 3 366.342 0.524 20 0 FCADHL NS(=O)(=O)c1ccc(N2CCc3nc[n-]c(=O)c3C2)c(C(=O)[O-])c1 ZINC001601199130 1286693544 /nfs/dbraw/zinc/69/35/44/1286693544.db2.gz ZRDMGJMAJMPIEL-UHFFFAOYSA-N -2 3 350.356 0.091 20 0 FCADHL O=C([O-])[C@@H]1CO[C@H](CCC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001601284380 1286712886 /nfs/dbraw/zinc/71/28/86/1286712886.db2.gz OKQHQDJRMPRAMW-QJPTWQEYSA-N -2 3 350.375 0.147 20 0 FCADHL O=C([O-])C12CCC(CC1)N2C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001601376047 1286735785 /nfs/dbraw/zinc/73/57/85/1286735785.db2.gz IHVYEBFXLJBJDY-UHFFFAOYSA-N -2 3 372.175 0.320 20 0 FCADHL O=C([O-])[C@@]1(N2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)CCOC1 ZINC001601539941 1286782289 /nfs/dbraw/zinc/78/22/89/1286782289.db2.gz IHPGIUBJYAGVQJ-QGZVFWFLSA-N -2 3 367.377 0.602 20 0 FCADHL O=C([O-])[C@@H]1CC12CCN(C(=O)N[C@H]1CCN(c3cc(=O)[n-]cn3)C1)CC2 ZINC001601771152 1286832317 /nfs/dbraw/zinc/83/23/17/1286832317.db2.gz FQBMTCRCGLGKDH-RYUDHWBXSA-N -2 3 361.402 0.657 20 0 FCADHL O=C([O-])[C@@H]1CCN1C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC001601834483 1286847341 /nfs/dbraw/zinc/84/73/41/1286847341.db2.gz NXWUGOGIJFSKTF-VIFPVBQESA-N -2 3 360.338 0.705 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C ZINC001609338408 1289107379 /nfs/dbraw/zinc/10/73/79/1289107379.db2.gz AJZVFCMUTPMYMI-SECBINFHSA-N -2 3 353.404 0.972 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C ZINC001609338408 1289107384 /nfs/dbraw/zinc/10/73/84/1289107384.db2.gz AJZVFCMUTPMYMI-SECBINFHSA-N -2 3 353.404 0.972 20 0 FCADHL O=C([O-])C[C@H](O)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001601912715 1286869352 /nfs/dbraw/zinc/86/93/52/1286869352.db2.gz LUCPQEIIQQHRGX-LURJTMIESA-N -2 3 361.269 0.838 20 0 FCADHL O=C([O-])CC1CC(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC001601940423 1286879690 /nfs/dbraw/zinc/87/96/90/1286879690.db2.gz HOQDXLUWZDLAOL-UHFFFAOYSA-N -2 3 360.164 0.081 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@@H](F)C(C)C ZINC001609338565 1289108570 /nfs/dbraw/zinc/10/85/70/1289108570.db2.gz IMGGMPYXDZMERN-NSHDSACASA-N -2 3 357.367 0.674 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@@H](F)C(C)C ZINC001609338565 1289108572 /nfs/dbraw/zinc/10/85/72/1289108572.db2.gz IMGGMPYXDZMERN-NSHDSACASA-N -2 3 357.367 0.674 20 0 FCADHL O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)c1 ZINC001602273215 1286979339 /nfs/dbraw/zinc/97/93/39/1286979339.db2.gz QLDPLQGHWLXYES-UHFFFAOYSA-N -2 3 353.331 0.767 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c(Br)o1 ZINC001602292829 1286984086 /nfs/dbraw/zinc/98/40/86/1286984086.db2.gz IUKNNKVGWSAQEF-SCSAIBSYSA-N -3 3 374.140 0.831 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001602396954 1286995900 /nfs/dbraw/zinc/99/59/00/1286995900.db2.gz FVMYIAFIBJCPKB-LLVKDONJSA-N -2 3 364.383 0.438 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)s1 ZINC001602396872 1286996926 /nfs/dbraw/zinc/99/69/26/1286996926.db2.gz BZKZVVJBCGPOPT-QMMMGPOBSA-N -2 3 370.412 0.499 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCCc2c1cnn2CCO ZINC001602489231 1287010363 /nfs/dbraw/zinc/01/03/63/1287010363.db2.gz XDBKAGIIIFSWPH-NSHDSACASA-N -2 3 355.372 0.523 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](CO)c1ccc(Cl)cc1 ZINC001602506718 1287018413 /nfs/dbraw/zinc/01/84/13/1287018413.db2.gz NEZWDNVLGQBBNI-VIFPVBQESA-N -2 3 359.791 0.816 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3CCO)c1 ZINC001602557217 1287025945 /nfs/dbraw/zinc/02/59/45/1287025945.db2.gz SREBQWMMRPQDEX-LLVKDONJSA-N -2 3 355.372 0.523 20 0 FCADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)n1 ZINC001602556102 1287026073 /nfs/dbraw/zinc/02/60/73/1287026073.db2.gz DIKLBEAVTKQEGQ-UHFFFAOYSA-N -2 3 367.339 0.808 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCN2C[C@@H]3CCCCN3C2=O)c1 ZINC001602558901 1287026129 /nfs/dbraw/zinc/02/61/29/1287026129.db2.gz HFIQJCNEJVVCAF-NSHDSACASA-N -2 3 357.388 0.546 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@]1(CO)CCc2ccccc21 ZINC001602583751 1287031069 /nfs/dbraw/zinc/03/10/69/1287031069.db2.gz XBLDERZGZBUFBX-HNNXBMFYSA-N -2 3 368.436 0.996 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCOCC1 ZINC001602583721 1287031304 /nfs/dbraw/zinc/03/13/04/1287031304.db2.gz VUBUYSWNJHYYOB-JTQLQIEISA-N -2 3 361.445 0.373 20 0 FCADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC001602649182 1287048426 /nfs/dbraw/zinc/04/84/26/1287048426.db2.gz RKDULKACEQYZAV-QMMMGPOBSA-N -2 3 350.755 0.926 20 0 FCADHL O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC001602649193 1287048715 /nfs/dbraw/zinc/04/87/15/1287048715.db2.gz RULHERXKOHJKLB-VIFPVBQESA-N -2 3 350.755 0.926 20 0 FCADHL CSCCCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609371052 1289126453 /nfs/dbraw/zinc/12/64/53/1289126453.db2.gz OIULXCWNFDOIJK-UHFFFAOYSA-N -2 3 356.433 0.600 20 0 FCADHL CSCCCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609371052 1289126458 /nfs/dbraw/zinc/12/64/58/1289126458.db2.gz OIULXCWNFDOIJK-UHFFFAOYSA-N -2 3 356.433 0.600 20 0 FCADHL COCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001605112709 1287886558 /nfs/dbraw/zinc/88/65/58/1287886558.db2.gz FAGFPVLLLLRRSI-UHFFFAOYSA-N -2 3 372.288 0.101 20 0 FCADHL COCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001605112709 1287886562 /nfs/dbraw/zinc/88/65/62/1287886562.db2.gz FAGFPVLLLLRRSI-UHFFFAOYSA-N -2 3 372.288 0.101 20 0 FCADHL Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC001609424390 1289144828 /nfs/dbraw/zinc/14/48/28/1289144828.db2.gz HOPGMIZGWPCAKX-UHFFFAOYSA-N -2 3 360.399 0.773 20 0 FCADHL Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC001609424390 1289144831 /nfs/dbraw/zinc/14/48/31/1289144831.db2.gz HOPGMIZGWPCAKX-UHFFFAOYSA-N -2 3 360.399 0.773 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccncn1 ZINC001605801991 1288089274 /nfs/dbraw/zinc/08/92/74/1288089274.db2.gz PPFRCKKISXDSLD-PLNGDYQASA-N -2 3 371.382 0.483 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccncn1 ZINC001605801991 1288089280 /nfs/dbraw/zinc/08/92/80/1288089280.db2.gz PPFRCKKISXDSLD-PLNGDYQASA-N -2 3 371.382 0.483 20 0 FCADHL Cc1ccn2c(c1)ncc(C(=O)[N-]Oc1cccc(-c3nnn[n-]3)c1)c2=O ZINC001605952756 1288111018 /nfs/dbraw/zinc/11/10/18/1288111018.db2.gz GKQBXBJHLJDIOG-UHFFFAOYSA-N -2 3 363.337 0.907 20 0 FCADHL Cc1ccn2c(c1)ncc(C(=O)[N-]Oc1cccc(-c3nn[n-]n3)c1)c2=O ZINC001605952756 1288111021 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0.301 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1-c1nnn[n-]1 ZINC001609456002 1289160923 /nfs/dbraw/zinc/16/09/23/1289160923.db2.gz WRUNKGQKDATOEO-SECBINFHSA-N -2 3 352.376 0.055 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001609456002 1289160929 /nfs/dbraw/zinc/16/09/29/1289160929.db2.gz WRUNKGQKDATOEO-SECBINFHSA-N -2 3 352.376 0.055 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)ccc1F ZINC001606303788 1288259595 /nfs/dbraw/zinc/25/95/95/1288259595.db2.gz XWNNFGNUUZUMEE-CYBMUJFWSA-N -2 3 362.404 0.424 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NCc2ncc(C(=O)[O-])s2)ccc1F ZINC001606303516 1288260290 /nfs/dbraw/zinc/26/02/90/1288260290.db2.gz HKZLWCJROZKRCU-UHFFFAOYSA-N -2 3 373.387 0.819 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CCSCC1 ZINC001606354810 1288270598 /nfs/dbraw/zinc/27/05/98/1288270598.db2.gz VWWVKHGDCRZADZ-WDEREUQCSA-N -2 3 365.473 0.988 20 0 FCADHL 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ZINC001606614406 1288409382 /nfs/dbraw/zinc/40/93/82/1288409382.db2.gz RBYGKPFCEMCWJL-GFCCVEGCSA-N -2 3 373.383 0.299 20 0 FCADHL CO[C@@]1(C(=O)[O-])CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC001606698495 1288453136 /nfs/dbraw/zinc/45/31/36/1288453136.db2.gz WBBNICNFVPOSTR-KRWDZBQOSA-N -2 3 350.371 0.523 20 0 FCADHL COC1(C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C(=O)[O-])CCC1 ZINC001606714753 1288464206 /nfs/dbraw/zinc/46/42/06/1288464206.db2.gz QUFSCXCWNXPDMF-JTQLQIEISA-N -3 3 361.372 0.977 20 0 FCADHL O=C([N-]N1C(=O)c2ccccc2C1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606850212 1288540650 /nfs/dbraw/zinc/54/06/50/1288540650.db2.gz DVPGCPOUOZNUJA-UHFFFAOYSA-N -2 3 352.285 0.947 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606863727 1288542196 /nfs/dbraw/zinc/54/21/96/1288542196.db2.gz NWBRUAHHWFKCOF-JTQLQIEISA-N -2 3 351.388 0.353 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001606863727 1288542200 /nfs/dbraw/zinc/54/22/00/1288542200.db2.gz 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360.403 0.101 20 0 FCADHL Cc1nc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)sc1C(=O)[O-] ZINC001607954464 1288750345 /nfs/dbraw/zinc/75/03/45/1288750345.db2.gz KGWIMOWOMLKSGI-UHFFFAOYSA-N -3 3 360.369 0.962 20 0 FCADHL Cc1nc(CS(=O)(=O)[N-]C[C@@H](Oc2ccc(F)cc2)C(=O)[O-])no1 ZINC001607960798 1288751726 /nfs/dbraw/zinc/75/17/26/1288751726.db2.gz XSEIJDFHPRUQCW-LLVKDONJSA-N -2 3 359.335 0.469 20 0 FCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCCOC1 ZINC001608010867 1288759605 /nfs/dbraw/zinc/75/96/05/1288759605.db2.gz VBXNWVIQFVNRHT-CQSZACIVSA-N -2 3 354.388 0.340 20 0 FCADHL Cn1nnnc1CCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001608168971 1288786416 /nfs/dbraw/zinc/78/64/16/1288786416.db2.gz AKRDCNCVYGNTIW-UHFFFAOYSA-N -2 3 361.330 0.098 20 0 FCADHL NC(=O)[C@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1ccccn1 ZINC001608228895 1288795069 /nfs/dbraw/zinc/79/50/69/1288795069.db2.gz ZUFRADGTMBCDRQ-WUKHSURWSA-N -2 3 361.379 0.684 20 0 FCADHL O=C([O-])C[C@]1([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CCOC1 ZINC001608688974 1288865046 /nfs/dbraw/zinc/86/50/46/1288865046.db2.gz CEOLPPISDQECGH-GFCCVEGCSA-N -2 3 361.763 0.788 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCN([C@H]3CCCC[C@H]3O)CC2)on1 ZINC001608860541 1288877436 /nfs/dbraw/zinc/87/74/36/1288877436.db2.gz PPTKLVHNRLLJES-QWHCGFSZSA-N -2 3 373.431 0.419 20 0 FCADHL CC(=O)C(C)(C)CCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609061834 1288892978 /nfs/dbraw/zinc/89/29/78/1288892978.db2.gz YCIGKWVHYZFAJL-UHFFFAOYSA-N -2 3 366.403 0.462 20 0 FCADHL CC(=O)C(C)(C)CCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609061834 1288892980 /nfs/dbraw/zinc/89/29/80/1288892980.db2.gz YCIGKWVHYZFAJL-UHFFFAOYSA-N -2 3 366.403 0.462 20 0 FCADHL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)c1 ZINC001609065590 1288896565 /nfs/dbraw/zinc/89/65/65/1288896565.db2.gz RSBZYNCZEAOPLF-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)c1 ZINC001609065590 1288896567 /nfs/dbraw/zinc/89/65/67/1288896567.db2.gz RSBZYNCZEAOPLF-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL C[C@H](CC(C)(C)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001609108974 1288924162 /nfs/dbraw/zinc/92/41/62/1288924162.db2.gz JXIVGTUCSBLZOU-MRVPVSSYSA-N -2 3 354.392 0.429 20 0 FCADHL C[C@H](CC(C)(C)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001609108974 1288924169 /nfs/dbraw/zinc/92/41/69/1288924169.db2.gz JXIVGTUCSBLZOU-MRVPVSSYSA-N -2 3 354.392 0.429 20 0 FCADHL C[C@H](CCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001609110477 1288924359 /nfs/dbraw/zinc/92/43/59/1288924359.db2.gz TZGVZWHWQSNKGX-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H](C)C(=O)[O-] ZINC001609125932 1288934477 /nfs/dbraw/zinc/93/44/77/1288934477.db2.gz XHURPMVOZMMOPG-RNFRBKRXSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H](C)C(=O)[O-] ZINC001609125932 1288934487 /nfs/dbraw/zinc/93/44/87/1288934487.db2.gz XHURPMVOZMMOPG-RNFRBKRXSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609132945 1288939472 /nfs/dbraw/zinc/93/94/72/1288939472.db2.gz NDKRTAMKFPDQNC-SNVBAGLBSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609132945 1288939480 /nfs/dbraw/zinc/93/94/80/1288939480.db2.gz NDKRTAMKFPDQNC-SNVBAGLBSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001609142472 1288944910 /nfs/dbraw/zinc/94/49/10/1288944910.db2.gz AIYPTQFYAZTZRM-CYBMUJFWSA-N -2 3 373.341 0.630 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001609142472 1288944913 /nfs/dbraw/zinc/94/49/13/1288944913.db2.gz AIYPTQFYAZTZRM-CYBMUJFWSA-N -2 3 373.341 0.630 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609142583 1288945468 /nfs/dbraw/zinc/94/54/68/1288945468.db2.gz DVTVCGWRNSNCMR-DOMZBBRYSA-N -2 3 365.415 0.930 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609142583 1288945475 /nfs/dbraw/zinc/94/54/75/1288945475.db2.gz DVTVCGWRNSNCMR-DOMZBBRYSA-N -2 3 365.415 0.930 20 0 FCADHL CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609144939 1288946865 /nfs/dbraw/zinc/94/68/65/1288946865.db2.gz TUQZXDHLARSSNL-SNVBAGLBSA-N -2 3 351.388 0.883 20 0 FCADHL CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609144939 1288946870 /nfs/dbraw/zinc/94/68/70/1288946870.db2.gz TUQZXDHLARSSNL-SNVBAGLBSA-N -2 3 351.388 0.883 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001609166098 1288959397 /nfs/dbraw/zinc/95/93/97/1288959397.db2.gz GRSQWWCYFTWRLG-ZWNOBZJWSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001609166098 1288959398 /nfs/dbraw/zinc/95/93/98/1288959398.db2.gz GRSQWWCYFTWRLG-ZWNOBZJWSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609179171 1288973663 /nfs/dbraw/zinc/97/36/63/1288973663.db2.gz MQEYOQKXRRLNGF-LDYMZIIASA-N -2 3 369.428 0.545 20 0 FCADHL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609179171 1288973665 /nfs/dbraw/zinc/97/36/65/1288973665.db2.gz MQEYOQKXRRLNGF-LDYMZIIASA-N -2 3 369.428 0.545 20 0 FCADHL CC[C@@H](SC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001609195783 1288979649 /nfs/dbraw/zinc/97/96/49/1288979649.db2.gz BHXYOTNXTOBUKP-SNVBAGLBSA-N -2 3 371.444 0.822 20 0 FCADHL CC[C@@H](SC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001609195783 1288979650 /nfs/dbraw/zinc/97/96/50/1288979650.db2.gz BHXYOTNXTOBUKP-SNVBAGLBSA-N -2 3 371.444 0.822 20 0 FCADHL CCCc1nnc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)s1 ZINC001609218067 1288991923 /nfs/dbraw/zinc/99/19/23/1288991923.db2.gz FYRCCERRAVGTHC-UHFFFAOYSA-N -2 3 352.405 0.867 20 0 FCADHL CCCc1nnc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)s1 ZINC001609218067 1288991928 /nfs/dbraw/zinc/99/19/28/1288991928.db2.gz FYRCCERRAVGTHC-UHFFFAOYSA-N -2 3 352.405 0.867 20 0 FCADHL CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001609237120 1289009917 /nfs/dbraw/zinc/00/99/17/1289009917.db2.gz UOAHZGHDDHRWNX-SNVBAGLBSA-N -2 3 369.403 0.495 20 0 FCADHL CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001609237120 1289009924 /nfs/dbraw/zinc/00/99/24/1289009924.db2.gz UOAHZGHDDHRWNX-SNVBAGLBSA-N -2 3 369.403 0.495 20 0 FCADHL CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001609236618 1289010471 /nfs/dbraw/zinc/01/04/71/1289010471.db2.gz VLUJPRZIIUUYOY-MRVPVSSYSA-N -2 3 355.376 0.105 20 0 FCADHL CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001609236618 1289010480 /nfs/dbraw/zinc/01/04/80/1289010480.db2.gz VLUJPRZIIUUYOY-MRVPVSSYSA-N -2 3 355.376 0.105 20 0 FCADHL O=C(CSC(F)F)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001609533512 1289199630 /nfs/dbraw/zinc/19/96/30/1289199630.db2.gz FNOKUCAIKTXTDN-UHFFFAOYSA-N -2 3 363.371 0.769 20 0 FCADHL O=C(CSC(F)F)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001609533512 1289199633 /nfs/dbraw/zinc/19/96/33/1289199633.db2.gz FNOKUCAIKTXTDN-UHFFFAOYSA-N -2 3 363.371 0.769 20 0 FCADHL O=C([N-]N1CCCNC1=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001609557616 1289223559 /nfs/dbraw/zinc/22/35/59/1289223559.db2.gz YWJLLFUIHQZOCU-UHFFFAOYSA-N -2 3 353.346 0.113 20 0 FCADHL O=C([N-]N1CCCNC1=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001609557616 1289223564 /nfs/dbraw/zinc/22/35/64/1289223564.db2.gz YWJLLFUIHQZOCU-UHFFFAOYSA-N -2 3 353.346 0.113 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)c1cccc2c[nH]nc21 ZINC001609560264 1289224692 /nfs/dbraw/zinc/22/46/92/1289224692.db2.gz DHTADQXYXRSSFP-UHFFFAOYSA-N -2 3 369.366 0.862 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)c1cccc2c[nH]nc21 ZINC001609560264 1289224693 /nfs/dbraw/zinc/22/46/93/1289224693.db2.gz DHTADQXYXRSSFP-UHFFFAOYSA-N -2 3 369.366 0.862 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001609571457 1289233259 /nfs/dbraw/zinc/23/32/59/1289233259.db2.gz IJRPZHKDRMLNQZ-BDAKNGLRSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001609571457 1289233263 /nfs/dbraw/zinc/23/32/63/1289233263.db2.gz IJRPZHKDRMLNQZ-BDAKNGLRSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609571721 1289233752 /nfs/dbraw/zinc/23/37/52/1289233752.db2.gz AXMJUGQCFSSTMR-SECBINFHSA-N -2 3 359.364 0.154 20 0 FCADHL O=C([O-])C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001609571831 1289234841 /nfs/dbraw/zinc/23/48/41/1289234841.db2.gz DNOHHENSOGEBIQ-MRVPVSSYSA-N -2 3 355.351 0.491 20 0 FCADHL CC[C@@](COC)([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-] ZINC001609926332 1289329707 /nfs/dbraw/zinc/32/97/07/1289329707.db2.gz OOOAARRIRWBEKA-AWEZNQCLSA-N -2 3 363.363 0.770 20 0 FCADHL CCn1ccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])n1 ZINC001610086079 1289365821 /nfs/dbraw/zinc/36/58/21/1289365821.db2.gz ZBCBPSAXKAMTCS-UHFFFAOYSA-N -2 3 373.412 0.928 20 0 FCADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c(C(=O)[O-])c1C ZINC001610221477 1289430529 /nfs/dbraw/zinc/43/05/29/1289430529.db2.gz OALPLKKIBBRTHO-RXMQYKEDSA-N -3 3 369.348 0.242 20 0 FCADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](CO)CC(F)F ZINC001610222103 1289431179 /nfs/dbraw/zinc/43/11/79/1289431179.db2.gz JZERMGKNWQFCAS-RXMQYKEDSA-N -2 3 373.355 0.527 20 0 FCADHL Cn1cc(N2CC[C@H]([N-]S(=O)(=O)CC3(C(=O)[O-])CCCC3)C2=O)cn1 ZINC001610604082 1289524090 /nfs/dbraw/zinc/52/40/90/1289524090.db2.gz DDAZJPXOZZBKIA-LBPRGKRZSA-N -2 3 370.431 0.090 20 0 FCADHL Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)C2=O)n1 ZINC001610608913 1289526924 /nfs/dbraw/zinc/52/69/24/1289526924.db2.gz VSPDDGXFWSIOFX-SNVBAGLBSA-N -2 3 368.371 0.185 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC001610736417 1289572425 /nfs/dbraw/zinc/57/24/25/1289572425.db2.gz WIEDIGWUVUHPAX-SNVBAGLBSA-N -2 3 351.325 0.268 20 0 FCADHL O=C([O-])CCC(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001610766133 1289584947 /nfs/dbraw/zinc/58/49/47/1289584947.db2.gz OXIHYLHZJSKSHJ-UHFFFAOYSA-N -2 3 369.804 0.657 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](CO)Cc1ccc(F)cc1 ZINC001610871931 1289614403 /nfs/dbraw/zinc/61/44/03/1289614403.db2.gz YLIVWPRYUKKPIG-JTQLQIEISA-N -2 3 360.388 0.862 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1 ZINC001610872471 1289614448 /nfs/dbraw/zinc/61/44/48/1289614448.db2.gz CQBIDVXKVAHVKY-UHFFFAOYSA-N -2 3 367.368 0.765 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610871637 1289614551 /nfs/dbraw/zinc/61/45/51/1289614551.db2.gz QTMPICYELSKZRL-VIFPVBQESA-N -3 3 374.371 0.955 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001622312663 1290118628 /nfs/dbraw/zinc/11/86/28/1290118628.db2.gz VOQULMMOPQRMLS-UHFFFAOYSA-N -2 3 363.399 0.293 20 0 FCADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(N)=O ZINC000379297866 836050492 /nfs/dbraw/zinc/05/04/92/836050492.db2.gz NTOSEAMHEGSIMZ-SCSAIBSYSA-N -2 3 355.166 0.283 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccn(C(F)F)n1 ZINC000826450707 836527760 /nfs/dbraw/zinc/52/77/60/836527760.db2.gz ZOSFIFKEQUZPAK-UHFFFAOYSA-N -2 3 369.313 0.577 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccn(C(F)F)n1 ZINC000826450707 836527764 /nfs/dbraw/zinc/52/77/64/836527764.db2.gz ZOSFIFKEQUZPAK-UHFFFAOYSA-N -2 3 369.313 0.577 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450469 836527998 /nfs/dbraw/zinc/52/79/98/836527998.db2.gz NRJAQCRVACWSKI-UHFFFAOYSA-N -2 3 352.763 0.967 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1Cl)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450469 836528001 /nfs/dbraw/zinc/52/80/01/836528001.db2.gz NRJAQCRVACWSKI-UHFFFAOYSA-N -2 3 352.763 0.967 20 0 FCADHL O=C(c1nc[n-]c(=O)c1Br)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001137731055 849279627 /nfs/dbraw/zinc/27/96/27/849279627.db2.gz XXBFYVFJDMPQKX-LURJTMIESA-N -2 3 354.168 0.478 20 0 FCADHL O=C(c1nc[n-]c(=O)c1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001137731055 849279634 /nfs/dbraw/zinc/27/96/34/849279634.db2.gz XXBFYVFJDMPQKX-LURJTMIESA-N -2 3 354.168 0.478 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)CSc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001156578144 849914743 /nfs/dbraw/zinc/91/47/43/849914743.db2.gz ZXWHLRKOVGSVKP-UHFFFAOYSA-N -2 3 365.419 0.192 20 0 FCADHL C[C@H]1[C@H](NC(F)(F)c2cc(Cl)nc(=S)[n-]2)C(=O)N1S(=O)(=O)[O-] ZINC001157073222 849945613 /nfs/dbraw/zinc/94/56/13/849945613.db2.gz VXZZMKZFHYWIBI-DZSWIPIPSA-N -2 3 374.778 0.460 20 0 FCADHL C[C@H](Cn1cnc2c1ncnc2Nc1ncc[nH]1)OCP(=O)([O-])[O-] ZINC001176079898 850780741 /nfs/dbraw/zinc/78/07/41/850780741.db2.gz KVMUVIKKPXVPNX-MRVPVSSYSA-N -2 3 353.279 0.833 20 0 FCADHL CSc1ncc(C(=O)N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c(=O)[n-]1 ZINC001177888462 850876277 /nfs/dbraw/zinc/87/62/77/850876277.db2.gz DLOIDKXQOLDABD-VIFPVBQESA-N -2 3 362.415 0.717 20 0 FCADHL O=C(Cc1cn(Cc2ccccc2)nn1)NCCCCP(=O)([O-])[O-] ZINC001178323858 850893430 /nfs/dbraw/zinc/89/34/30/850893430.db2.gz FXMIGWCTPJFNMU-UHFFFAOYSA-N -2 3 352.331 0.943 20 0 FCADHL CC(=O)N[C@H](C(=O)NCCCCP(=O)([O-])[O-])[C@@H](C)OC(C)(C)C ZINC001183962671 851280176 /nfs/dbraw/zinc/28/01/76/851280176.db2.gz PILZWPDXIVPPIC-PWSUYJOCSA-N -2 3 352.368 0.769 20 0 FCADHL O=C([N-]CCNC(=O)c1[n-]c(=O)ccc1Cl)C(F)(F)Br ZINC001184816354 851323026 /nfs/dbraw/zinc/32/30/26/851323026.db2.gz FYIXMFHMTUQUGM-UHFFFAOYSA-N -2 3 372.553 0.701 20 0 FCADHL CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)no1 ZINC001186201582 851417983 /nfs/dbraw/zinc/41/79/83/851417983.db2.gz CNYUWWJSOROYJP-UHFFFAOYSA-N -2 3 372.334 0.087 20 0 FCADHL COc1cccc(OC)c1NC(=O)C(=O)NCCCCP(=O)([O-])[O-] ZINC001187491546 851568908 /nfs/dbraw/zinc/56/89/08/851568908.db2.gz BEYWMSIUSKRCND-UHFFFAOYSA-N -2 3 360.303 0.716 20 0 FCADHL O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1[n-]nnc1C(F)(F)F ZINC001187766376 851606254 /nfs/dbraw/zinc/60/62/54/851606254.db2.gz SZOPORNSYQIOGN-UHFFFAOYSA-N -2 3 361.261 0.508 20 0 FCADHL O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1nn[n-]c1C(F)(F)F ZINC001187766376 851606266 /nfs/dbraw/zinc/60/62/66/851606266.db2.gz SZOPORNSYQIOGN-UHFFFAOYSA-N -2 3 361.261 0.508 20 0 FCADHL COC(=O)CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[O-])cc1Cl ZINC001188393868 851683275 /nfs/dbraw/zinc/68/32/75/851683275.db2.gz RFOYOYPVCYQKEL-UHFFFAOYSA-N -2 3 357.793 0.892 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189934757 851846387 /nfs/dbraw/zinc/84/63/87/851846387.db2.gz XPCKRSDPHRXMMJ-UHFFFAOYSA-N -3 3 369.355 0.341 20 0 FCADHL Cc1nc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])cc(=O)[n-]1 ZINC001191008466 852000397 /nfs/dbraw/zinc/00/03/97/852000397.db2.gz WGYXNQRKXAIKNG-UHFFFAOYSA-N -2 3 358.763 0.749 20 0 FCADHL COc1ccc(Br)cc1S(=O)(=O)NCCP(=O)([O-])[O-] ZINC001191125707 852014214 /nfs/dbraw/zinc/01/42/14/852014214.db2.gz BXRYCRUFQOWJJH-UHFFFAOYSA-N -2 3 374.149 0.914 20 0 FCADHL Cn1cc(Br)cc(C(=O)NCCCCP(=O)([O-])[O-])c1=O ZINC001191206665 852028933 /nfs/dbraw/zinc/02/89/33/852028933.db2.gz MPICOLLEWVTWQG-UHFFFAOYSA-N -2 3 367.136 0.836 20 0 FCADHL NOCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193283267 852402483 /nfs/dbraw/zinc/40/24/83/852402483.db2.gz HEEFWDDQICUFRM-UHFFFAOYSA-N -2 3 351.384 0.813 20 0 FCADHL Cc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(=O)[n-]1 ZINC001194039739 852528915 /nfs/dbraw/zinc/52/89/15/852528915.db2.gz HDAJNQUJBRYLKN-SECBINFHSA-N -2 3 361.738 0.854 20 0 FCADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(N)=O ZINC001195254917 852732938 /nfs/dbraw/zinc/73/29/38/852732938.db2.gz PQJKCTWWJFTORS-JTQLQIEISA-N -2 3 350.343 0.841 20 0 FCADHL O=C([O-])CCC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195260527 852733840 /nfs/dbraw/zinc/73/38/40/852733840.db2.gz YYAPTLAANURHLL-UHFFFAOYSA-N -3 3 351.283 0.375 20 0 FCADHL Nc1ncccc1Nc1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001212391061 854461572 /nfs/dbraw/zinc/46/15/72/854461572.db2.gz FEYRYIHABQBNNE-UHFFFAOYSA-N -2 3 365.290 0.699 20 0 FCADHL O=P([O-])([O-])CCCCO[C@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001225018663 857013918 /nfs/dbraw/zinc/01/39/18/857013918.db2.gz DWCHOTYYNVPUDB-GFCCVEGCSA-O -2 3 354.341 0.205 20 0 FCADHL CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](COc3nc(=O)[n-]c(=O)[n-]3)[C@H]2C1 ZINC001227566471 857164893 /nfs/dbraw/zinc/16/48/93/857164893.db2.gz GIYXLQRSHZPKML-OPRDCNLKSA-N -2 3 354.363 0.544 20 0 FCADHL CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@@H]2Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569179 857166043 /nfs/dbraw/zinc/16/60/43/857166043.db2.gz UVKLGKVUAJJDBD-VFZGTOFNSA-N -2 3 354.363 0.830 20 0 FCADHL Cc1csc2nc(=S)[n-]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c12 ZINC001229352016 857266212 /nfs/dbraw/zinc/26/62/12/857266212.db2.gz FQGGTQSIQLXSMG-RXMQYKEDSA-N -3 3 366.313 0.664 20 0 FCADHL CC(=O)Nc1nc(C)c(S(=O)(=O)NCCCCP(=O)([O-])[O-])s1 ZINC001250839900 857665335 /nfs/dbraw/zinc/66/53/35/857665335.db2.gz WNXSMVSBNCQHRR-UHFFFAOYSA-N -2 3 371.377 0.646 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCNC(=O)C2)c(F)cc1Cl ZINC001259212251 858248737 /nfs/dbraw/zinc/24/87/37/858248737.db2.gz CUNCNGCHLYKJRE-ZETCQYMHSA-N -2 3 364.782 0.982 20 0 FCADHL CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259221497 858249459 /nfs/dbraw/zinc/24/94/59/858249459.db2.gz JUJMYQNGSFPHDS-VIFPVBQESA-N -2 3 369.754 0.380 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NS(=O)(=O)c3ccccc3[O-])C2)n1 ZINC001309854195 866932826 /nfs/dbraw/zinc/93/28/26/866932826.db2.gz MALXHKVOLWSZOQ-NSHDSACASA-N -2 3 350.400 0.753 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)c(=O)[n-]1 ZINC001318045308 867600924 /nfs/dbraw/zinc/60/09/24/867600924.db2.gz XHCDHCKETNEKQT-UHFFFAOYSA-N -2 3 359.795 0.234 20 0 FCADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001318313150 867640742 /nfs/dbraw/zinc/64/07/42/867640742.db2.gz FGSBQSPHEJHNJR-UHFFFAOYSA-N -2 3 362.371 0.081 20 0 FCADHL Nc1cn[n-]c(=N[N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c1Cl ZINC001324136699 869484557 /nfs/dbraw/zinc/48/45/57/869484557.db2.gz QSEHPJTTZWCOHU-UHFFFAOYSA-N -2 3 371.732 0.776 20 0 FCADHL COCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000323930002 971060649 /nfs/dbraw/zinc/06/06/49/971060649.db2.gz XPGDHYIBPXXVRK-QMMMGPOBSA-N -2 3 353.343 0.993 20 0 FCADHL NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000324910494 971168765 /nfs/dbraw/zinc/16/87/65/971168765.db2.gz RPVOLWGJQMEPNB-UHFFFAOYSA-N -2 3 350.352 0.919 20 0 FCADHL COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826148711 947477802 /nfs/dbraw/zinc/47/78/02/947477802.db2.gz OYCFPYUUPSDYDH-QLJPJBMISA-N -2 3 363.374 0.630 20 0 FCADHL COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826148711 947477808 /nfs/dbraw/zinc/47/78/08/947477808.db2.gz OYCFPYUUPSDYDH-QLJPJBMISA-N -2 3 363.374 0.630 20 0 FCADHL O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1cc(=O)[nH][n-]1 ZINC000826478509 948390302 /nfs/dbraw/zinc/39/03/02/948390302.db2.gz DCFHYYYWMJKWTR-UHFFFAOYSA-N -2 3 371.748 0.520 20 0 FCADHL O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1cc(=O)[nH][n-]1 ZINC000826478509 948390310 /nfs/dbraw/zinc/39/03/10/948390310.db2.gz DCFHYYYWMJKWTR-UHFFFAOYSA-N -2 3 371.748 0.520 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1=O ZINC001136655146 948475763 /nfs/dbraw/zinc/47/57/63/948475763.db2.gz JLMNQLGQFGTDOT-UHFFFAOYSA-N -2 3 355.402 0.871 20 0 FCADHL O=C([N-][C@@H](CO)C(F)(F)F)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001570953857 949791619 /nfs/dbraw/zinc/79/16/19/949791619.db2.gz WBRUZLQMHKVRFJ-QMMMGPOBSA-N -2 3 351.235 0.998 20 0 FCADHL O=C([N-][C@@H](CO)C(F)(F)F)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001570953857 949791612 /nfs/dbraw/zinc/79/16/12/949791612.db2.gz WBRUZLQMHKVRFJ-QMMMGPOBSA-N -2 3 351.235 0.998 20 0 FCADHL CC(C)C[C@H]1CN(C)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001574168099 950501444 /nfs/dbraw/zinc/50/14/44/950501444.db2.gz OUDWGHLVNKUVER-ZDUSSCGKSA-N -2 3 371.449 0.777 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ccccc1[O-])Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574759915 950652262 /nfs/dbraw/zinc/65/22/62/950652262.db2.gz PZFQPYZFXBVQMM-JTQLQIEISA-N -2 3 354.374 0.357 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766162 950806360 /nfs/dbraw/zinc/80/63/60/950806360.db2.gz LBJVYGWDPITWPC-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766162 950806377 /nfs/dbraw/zinc/80/63/77/950806377.db2.gz LBJVYGWDPITWPC-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574767653 950865201 /nfs/dbraw/zinc/86/52/01/950865201.db2.gz UIHZJQFCZBBCJL-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncccc1[O-] ZINC001575938027 950966312 /nfs/dbraw/zinc/96/63/12/950966312.db2.gz MKLCTKSNODJKAI-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncccc1[O-] ZINC001575938027 950966331 /nfs/dbraw/zinc/96/63/31/950966331.db2.gz MKLCTKSNODJKAI-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL CCOC(=O)c1nc(C2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)n[n-]1 ZINC001591279538 951119973 /nfs/dbraw/zinc/11/99/73/951119973.db2.gz PTMZQDMEBYZWFU-PHIMTYICSA-N -2 3 365.390 0.734 20 0 FCADHL CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)[n-]1 ZINC001591279538 951119975 /nfs/dbraw/zinc/11/99/75/951119975.db2.gz PTMZQDMEBYZWFU-PHIMTYICSA-N -2 3 365.390 0.734 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571020595 951392560 /nfs/dbraw/zinc/39/25/60/951392560.db2.gz PKFWKJYGJIDAAG-KRWDZBQOSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571027516 951496665 /nfs/dbraw/zinc/49/66/65/951496665.db2.gz OBXXSDQJNMDPMB-NXEZZACHSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571027516 951496672 /nfs/dbraw/zinc/49/66/72/951496672.db2.gz OBXXSDQJNMDPMB-NXEZZACHSA-N -2 3 367.373 0.330 20 0 FCADHL O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001571027806 951503601 /nfs/dbraw/zinc/50/36/01/951503601.db2.gz SEBWWWRVQYJMBX-SNVBAGLBSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001571027806 951503608 /nfs/dbraw/zinc/50/36/08/951503608.db2.gz SEBWWWRVQYJMBX-SNVBAGLBSA-N -2 3 367.373 0.156 20 0 FCADHL O=C([O-])COCCOCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001595117123 951948659 /nfs/dbraw/zinc/94/86/59/951948659.db2.gz YWHBBZNDRWESAS-UHFFFAOYSA-N -2 3 373.214 0.785 20 0 FCADHL C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncccc1[O-] ZINC001575134541 952111751 /nfs/dbraw/zinc/11/17/51/952111751.db2.gz JCMOTOIEIXBPID-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncccc1[O-] ZINC001575134541 952111756 /nfs/dbraw/zinc/11/17/56/952111756.db2.gz JCMOTOIEIXBPID-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL COc1cnc(C(C)(C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)[n-]c1=O ZINC001571112418 952447676 /nfs/dbraw/zinc/44/76/76/952447676.db2.gz ZOEPAOKEYHWUPC-UHFFFAOYSA-N -2 3 374.365 0.161 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCn1cc(Br)cn1 ZINC000383755872 971891440 /nfs/dbraw/zinc/89/14/40/971891440.db2.gz XLPDUDCGZGDROP-UHFFFAOYSA-N -2 3 364.181 0.045 20 0 FCADHL CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001593780034 954636507 /nfs/dbraw/zinc/63/65/07/954636507.db2.gz HQSLYZKGWOZORI-OPRDCNLKSA-N -2 3 351.325 0.203 20 0 FCADHL Cn1ncc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)c1Br ZINC001594587143 956010661 /nfs/dbraw/zinc/01/06/61/956010661.db2.gz WNTROVKHHYNWCD-UHFFFAOYSA-N -2 3 352.210 0.716 20 0 FCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc(C(=O)[O-])nn1C ZINC001589115546 956094513 /nfs/dbraw/zinc/09/45/13/956094513.db2.gz WKWLSZKVNOUOQO-BDAKNGLRSA-N -2 3 361.358 0.612 20 0 FCADHL C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001589131711 956200937 /nfs/dbraw/zinc/20/09/37/956200937.db2.gz BQASQKBHOYERTB-RITPCOANSA-N -2 3 357.314 0.268 20 0 FCADHL C[C@@](O)(C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C(=O)[O-] ZINC001589147330 956307236 /nfs/dbraw/zinc/30/72/36/956307236.db2.gz DQYCHKDAGSKYCN-SNVBAGLBSA-N -2 3 351.793 0.459 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)N(C)C ZINC000055313614 957545260 /nfs/dbraw/zinc/54/52/60/957545260.db2.gz UMRJSZDATBUUFM-YFKPBYRVSA-N -2 3 369.193 0.495 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1cnn(Cc2ccccc2)c1 ZINC000390453345 972285981 /nfs/dbraw/zinc/28/59/81/972285981.db2.gz YWWSTZVRFPUARK-UHFFFAOYSA-N -2 3 361.383 0.831 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C[C@H]1C1CC1 ZINC001574777105 957768870 /nfs/dbraw/zinc/76/88/70/957768870.db2.gz AITJMLOJSDUAST-FRRDWIJNSA-N -2 3 361.402 0.513 20 0 FCADHL Cc1cc(=O)[n-]c(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC001594327437 958186560 /nfs/dbraw/zinc/18/65/60/958186560.db2.gz YRRVMHKTRAPYFN-KCJUWKMLSA-N -3 3 362.308 0.587 20 0 FCADHL O=C([O-])CC[C@H]1CCCN(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC001574692097 962642777 /nfs/dbraw/zinc/64/27/77/962642777.db2.gz MFPWEWJJIFTNPY-SECBINFHSA-N -2 3 350.379 0.806 20 0 FCADHL O=C([O-])COc1cccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001574737604 962858965 /nfs/dbraw/zinc/85/89/65/962858965.db2.gz NULJXFCGLYMPNJ-GFCCVEGCSA-N -2 3 358.354 0.654 20 0 FCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1cccs1 ZINC000320013661 970601882 /nfs/dbraw/zinc/60/18/82/970601882.db2.gz FHILJHZAAXEOCI-QMMMGPOBSA-N -2 3 359.385 0.752 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1F ZINC001604249185 972776613 /nfs/dbraw/zinc/77/66/13/972776613.db2.gz VFCFCZSUHDTDSV-MWLCHTKSSA-N -2 3 358.391 0.917 20 0 FCADHL Cn1nccc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000402570450 973625566 /nfs/dbraw/zinc/62/55/66/973625566.db2.gz MMPIJVNADALQNE-NSHDSACASA-N -2 3 358.307 0.572 20 0 FCADHL C[C@@H](CSCC[N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001592825592 979544999 /nfs/dbraw/zinc/54/49/99/979544999.db2.gz IXVAUDDNBCVAFI-LURJTMIESA-N -3 3 354.431 0.574 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001595171990 979739248 /nfs/dbraw/zinc/73/92/48/979739248.db2.gz SEJHUSABTGHUQE-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001595171990 979739250 /nfs/dbraw/zinc/73/92/50/979739250.db2.gz SEJHUSABTGHUQE-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001596534205 984357220 /nfs/dbraw/zinc/35/72/20/984357220.db2.gz HEDKTNAUWWJEBY-TUAOUCFPSA-N -2 3 365.448 0.906 20 0 FCADHL CCOC(=O)[C@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCOC1 ZINC001596554988 984426341 /nfs/dbraw/zinc/42/63/41/984426341.db2.gz HWBZEWFDOTVKFK-AWEZNQCLSA-N -2 3 361.372 0.616 20 0 FCADHL CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3scnc3C(=O)[O-])[C@@H]2C1 ZINC001589057859 985173328 /nfs/dbraw/zinc/17/33/28/985173328.db2.gz PFWKMIDGGICAAV-AXFHLTTASA-N -2 3 373.456 0.767 20 0 FCADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@H]1n1cccn1 ZINC001596838007 985499887 /nfs/dbraw/zinc/49/98/87/985499887.db2.gz OUBOFBVFXLYMDE-DMDPSCGWSA-N -2 3 355.372 0.871 20 0 FCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001589199441 985631422 /nfs/dbraw/zinc/63/14/22/985631422.db2.gz LQXHOPVHWLNUKL-NSHDSACASA-N -2 3 359.342 0.728 20 0 FCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001589199440 985631488 /nfs/dbraw/zinc/63/14/88/985631488.db2.gz LQXHOPVHWLNUKL-LLVKDONJSA-N -2 3 359.342 0.728 20 0 FCADHL CC(=O)Nc1ccc([O-])c(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC001589199666 985637605 /nfs/dbraw/zinc/63/76/05/985637605.db2.gz XPVMWBSLBYJPGQ-UHFFFAOYSA-N -2 3 365.386 0.210 20 0 FCADHL CC(=O)c1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1[O-] ZINC001589275870 985986343 /nfs/dbraw/zinc/98/63/43/985986343.db2.gz LQVASMBIMIZWJB-ZDUSSCGKSA-N -2 3 350.371 0.940 20 0 FCADHL CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001590074522 989163714 /nfs/dbraw/zinc/16/37/14/989163714.db2.gz KSFZWCOHCBZYPV-QMMMGPOBSA-N -2 3 360.392 0.396 20 0 FCADHL CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])no1 ZINC001590395868 989920075 /nfs/dbraw/zinc/92/00/75/989920075.db2.gz KHXQGOOVJVMREJ-UHFFFAOYSA-N -2 3 358.376 0.890 20 0 FCADHL CC(C)(CS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC001590804579 990640174 /nfs/dbraw/zinc/64/01/74/990640174.db2.gz XZIBLNHANRLADU-LLVKDONJSA-N -2 3 358.391 0.961 20 0 FCADHL CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001598284051 991179673 /nfs/dbraw/zinc/17/96/73/991179673.db2.gz WXMNOMWOZKFRHP-ZQJOYCHOSA-N -2 3 371.387 0.499 20 0 FCADHL CN(C)c1noc(C[N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n1 ZINC001598364983 991512373 /nfs/dbraw/zinc/51/23/73/991512373.db2.gz VMNMPQQTHYFUSG-UHFFFAOYSA-N -2 3 370.387 0.468 20 0 FCADHL C[C@H](NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593062866 993582950 /nfs/dbraw/zinc/58/29/50/993582950.db2.gz MSRXHSUKTYNSLD-QNWHQSFQSA-N -2 3 355.435 0.780 20 0 FCADHL CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])c1OC ZINC001598656022 994522498 /nfs/dbraw/zinc/52/24/98/994522498.db2.gz XFWWIWNAYOFSJU-QMMMGPOBSA-N -2 3 368.770 0.409 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](CCSC)C(=O)[O-])c(C)o1 ZINC001598674125 994810839 /nfs/dbraw/zinc/81/08/39/994810839.db2.gz HJYARAGDDFLTDJ-VIFPVBQESA-N -2 3 351.402 0.859 20 0 FCADHL C[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001593318482 994833367 /nfs/dbraw/zinc/83/33/67/994833367.db2.gz IHIXKWAXSANFSK-UWVGGRQHSA-N -2 3 371.415 0.677 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC001593347088 994951439 /nfs/dbraw/zinc/95/14/39/994951439.db2.gz AWBMSYOHFJCXPY-IUCAKERBSA-N -2 3 361.445 0.909 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)NCC(F)(F)F ZINC001593347336 994954847 /nfs/dbraw/zinc/95/48/47/994954847.db2.gz HKIHZDYJQWGYIO-BYPYZUCNSA-N -2 3 361.323 0.187 20 0 FCADHL COC(=O)[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001598698836 995188254 /nfs/dbraw/zinc/18/82/54/995188254.db2.gz VPDPPMJDDUVBBE-ZIAGYGMSSA-N -2 3 371.411 0.915 20 0 FCADHL COC(=O)[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001598698830 995188482 /nfs/dbraw/zinc/18/84/82/995188482.db2.gz VPDPPMJDDUVBBE-KBPBESRZSA-N -2 3 371.411 0.915 20 0 FCADHL C[C@@](O)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001593416941 995201300 /nfs/dbraw/zinc/20/13/00/995201300.db2.gz IPXBBSXZAQVCSC-LLVKDONJSA-N -3 3 355.727 0.291 20 0 FCADHL COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)[C@@H]1CCOC1 ZINC001598703434 995254364 /nfs/dbraw/zinc/25/43/64/995254364.db2.gz PWGOEHWCTVSBGP-ZJUUUORDSA-N -2 3 361.372 0.390 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)C1CCC(C(=O)[O-])CC1)c1ccnn1C ZINC001598708261 995315276 /nfs/dbraw/zinc/31/52/76/995315276.db2.gz CQYOVOAQXHQSHV-CBINBANVSA-N -2 3 359.404 0.197 20 0 FCADHL C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)C(C)(C)C(=O)[O-] ZINC001593491799 995468993 /nfs/dbraw/zinc/46/89/93/995468993.db2.gz XUNSUROWCNOMOH-IUCAKERBSA-N -2 3 351.421 0.562 20 0 FCADHL COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001598766205 995834576 /nfs/dbraw/zinc/83/45/76/995834576.db2.gz CZDOYUUKAGJXEH-SKDRFNHKSA-N -2 3 360.322 0.049 20 0 FCADHL COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001598774501 995916129 /nfs/dbraw/zinc/91/61/29/995916129.db2.gz DIDJUZHWNUJERN-JOYOIKCWSA-N -2 3 360.322 0.049 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@@H]1CCCOC1 ZINC001599178685 996902625 /nfs/dbraw/zinc/90/26/25/996902625.db2.gz ZZBVCZGUZJECEY-RKDXNWHRSA-N -2 3 350.418 0.561 20 0 FCADHL COC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC001598887165 996920485 /nfs/dbraw/zinc/92/04/85/996920485.db2.gz MVHPQWGTOLLEQS-UHFFFAOYSA-N -2 3 368.371 0.807 20 0 FCADHL COC(=O)c1cc(C)nc2nc(S[C@H](C)C(=O)C(=O)[O-])[n-]c(=O)c21 ZINC001598928850 997703726 /nfs/dbraw/zinc/70/37/26/997703726.db2.gz ZYDLHNVYKNTDEI-ZCFIWIBFSA-N -2 3 351.340 0.960 20 0 FCADHL C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCNC1=O ZINC001594061887 997856459 /nfs/dbraw/zinc/85/64/59/997856459.db2.gz NTLSDHFSHUJIIN-GFCCVEGCSA-N -2 3 350.755 0.734 20 0 FCADHL COC(=O)c1cccc2[n-]c(NC(=O)CN3CCC[C@H](C(=O)[O-])C3=O)nc21 ZINC001599000917 998822219 /nfs/dbraw/zinc/82/22/19/998822219.db2.gz OPBPNFZNHDABAZ-JTQLQIEISA-N -2 3 374.353 0.611 20 0 FCADHL COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001599012529 998910757 /nfs/dbraw/zinc/91/07/57/998910757.db2.gz FERYTLIJFLUCKO-UHFFFAOYSA-N -2 3 358.328 0.966 20 0 FCADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)CC2(C(=O)[O-])CCC2)C(=O)N1c1cnn(C)c1 ZINC001594264083 999020162 /nfs/dbraw/zinc/02/01/62/999020162.db2.gz KMDZDNXXKFYAFG-CMPLNLGQSA-N -2 3 370.431 0.088 20 0 FCADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(CN3CCCC3)on2)s1 ZINC000292696475 214118642 /nfs/dbraw/zinc/11/86/42/214118642.db2.gz RVXABXNFHZGLBH-UHFFFAOYSA-N -2 3 372.432 0.746 20 0 FCADHL CS(=O)(=O)c1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c(Cl)s1 ZINC000296875938 214366905 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ZINC000501934262 490655946 /nfs/dbraw/zinc/65/59/46/490655946.db2.gz JASNCJIQRFSEMW-UHFFFAOYSA-N -2 3 371.440 0.879 20 0 FCADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnc(OC)c(C(N)=O)c2)c1 ZINC000537197152 490659845 /nfs/dbraw/zinc/65/98/45/490659845.db2.gz MWBMSYGEUWMLRI-UHFFFAOYSA-N -2 3 353.356 0.704 20 0 FCADHL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1C ZINC000537197176 490660297 /nfs/dbraw/zinc/66/02/97/490660297.db2.gz OJXDYHICEPWAJD-UHFFFAOYSA-N -2 3 354.388 0.453 20 0 FCADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCOC[C@@H]1CCCO1 ZINC000572032419 491344323 /nfs/dbraw/zinc/34/43/23/491344323.db2.gz NUYZJSAYHQVGPG-VIFPVBQESA-N -2 3 365.429 0.929 20 0 FCADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CCOC)C(=O)[O-] ZINC000526060322 490671481 /nfs/dbraw/zinc/67/14/81/490671481.db2.gz BEDAKPZBOFBQPQ-NSHDSACASA-N -2 3 365.379 0.619 20 0 FCADHL CCOC(CNC(=O)c1cncc([O-])c1)CNC(=O)c1cncc([O-])c1 ZINC000572144525 491351734 /nfs/dbraw/zinc/35/17/34/491351734.db2.gz XYQRGYUKGLPZFL-UHFFFAOYSA-N -2 3 360.370 0.453 20 0 FCADHL COCCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)cn1 ZINC000529014820 490837150 /nfs/dbraw/zinc/83/71/50/490837150.db2.gz XMCYWZGYFNKESG-UHFFFAOYSA-N -2 3 364.387 0.310 20 0 FCADHL CO[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000541909765 490877884 /nfs/dbraw/zinc/87/78/84/490877884.db2.gz VPMFPSONLUKYIQ-SSDOTTSWSA-N -2 3 356.169 0.966 20 0 FCADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-] ZINC000530137311 490890132 /nfs/dbraw/zinc/89/01/32/490890132.db2.gz MKQDPQAHRGPSCF-LURJTMIESA-N -2 3 359.278 0.318 20 0 FCADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000530367930 490901927 /nfs/dbraw/zinc/90/19/27/490901927.db2.gz ULLUIXGDWKQXDN-JTQLQIEISA-N -2 3 364.445 0.797 20 0 FCADHL Cc1c([C@H]([N-]S(=O)(=O)c2cc(Cl)cnc2N)C(=O)[O-])cnn1C ZINC000530382888 490903079 /nfs/dbraw/zinc/90/30/79/490903079.db2.gz CNGPAMAVFDGNDD-JTQLQIEISA-N -2 3 359.795 0.463 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-]CCc1cccc(C(=O)[O-])n1 ZINC000543785803 490947035 /nfs/dbraw/zinc/94/70/35/490947035.db2.gz AQJRLGYDKSHATR-UHFFFAOYSA-N -2 3 371.396 0.544 20 0 FCADHL CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1cccnc1C(=O)[O-] ZINC000518765204 490950599 /nfs/dbraw/zinc/95/05/99/490950599.db2.gz OZGZLKTXGDIQGB-UHFFFAOYSA-N -2 3 354.388 0.563 20 0 FCADHL Cc1ncc(CNC(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)c(=O)[n-]1 ZINC000544152585 490959598 /nfs/dbraw/zinc/95/95/98/490959598.db2.gz KYRQRJYVKFFQLS-UHFFFAOYSA-N -2 3 350.404 0.316 20 0 FCADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-] ZINC000519583901 490977448 /nfs/dbraw/zinc/97/74/48/490977448.db2.gz GTOZZRXJJDFVRT-JTQLQIEISA-N -2 3 361.420 0.618 20 0 FCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2c[nH]cn2)c(OC)c1 ZINC000562495752 491169788 /nfs/dbraw/zinc/16/97/88/491169788.db2.gz ZDDYZXTWGYMZIT-UHFFFAOYSA-N -2 3 360.417 0.981 20 0 FCADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)N1CCC(C)CC1 ZINC000558038392 491410076 /nfs/dbraw/zinc/41/00/76/491410076.db2.gz XQFHKCNBACNYPX-UHFFFAOYSA-N -2 3 359.404 0.977 20 0 FCADHL CCCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cn(C(C)C)cn3)nc2n1 ZINC000558150673 491416798 /nfs/dbraw/zinc/41/67/98/491416798.db2.gz PTKCNOHFMHGSRP-UHFFFAOYSA-N -2 3 365.419 0.948 20 0 FCADHL O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000573432117 491433105 /nfs/dbraw/zinc/43/31/05/491433105.db2.gz XDBTZFFOCVLFJH-UHFFFAOYSA-N -2 3 369.424 0.679 20 0 FCADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(F)F ZINC000573601945 491443579 /nfs/dbraw/zinc/44/35/79/491443579.db2.gz LESMPSIKOPARDM-BDAKNGLRSA-N -2 3 353.347 0.479 20 0 FCADHL O=C([O-])CSCC[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000566902101 491473991 /nfs/dbraw/zinc/47/39/91/491473991.db2.gz IOTCDTQXACKMRN-UHFFFAOYSA-N -2 3 350.349 0.356 20 0 FCADHL O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000559556789 491481196 /nfs/dbraw/zinc/48/11/96/491481196.db2.gz PLUWEPDMDNULEQ-LLVKDONJSA-N -2 3 359.317 0.093 20 0 FCADHL CCCc1nc(=NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)s[n-]1 ZINC000567282698 491496956 /nfs/dbraw/zinc/49/69/56/491496956.db2.gz IRLSXKJYKQNMOT-PSLIRLAXSA-N -2 3 366.447 0.897 20 0 FCADHL N=c1nc(N2CCCN(c3ccc(C(=O)[O-])cn3)CC2)nc2[nH][n-]cc1-2 ZINC000574759934 491518509 /nfs/dbraw/zinc/51/85/09/491518509.db2.gz RYTVWZZEBCUZHH-UHFFFAOYSA-N -2 3 354.374 0.527 20 0 FCADHL CS(=O)(=O)N[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000575120134 491540503 /nfs/dbraw/zinc/54/05/03/491540503.db2.gz LDIUMADIQNSMQQ-VHSXEESVSA-N -2 3 366.417 0.117 20 0 FCADHL CCS(=O)(=O)NCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000577456860 491623822 /nfs/dbraw/zinc/62/38/22/491623822.db2.gz YZMIPUMTIJFUBZ-UHFFFAOYSA-N -2 3 354.381 0.205 20 0 FCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cncc(F)c1)[C@H](O)Cc1ccccc1 ZINC000577574924 491633254 /nfs/dbraw/zinc/63/32/54/491633254.db2.gz DFVHUNLUMNVNJD-ZIAGYGMSSA-N -2 3 354.359 0.556 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)s1 ZINC000577752780 491649108 /nfs/dbraw/zinc/64/91/08/491649108.db2.gz UJEFKIXCFFVSCL-UHFFFAOYSA-N -2 3 363.417 0.261 20 0 FCADHL COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC000579003416 491689001 /nfs/dbraw/zinc/68/90/01/491689001.db2.gz GLZPSAVFQVDLPG-VIFPVBQESA-N -2 3 355.372 0.862 20 0 FCADHL CS(=O)(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000580190266 491720864 /nfs/dbraw/zinc/72/08/64/491720864.db2.gz JTSIIEITTTXWEI-DTWKUNHWSA-N -2 3 351.402 0.612 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]C(C)(C)CC(=O)NC(C)(C)CC(=O)[O-])c[nH]1 ZINC000582280667 491805471 /nfs/dbraw/zinc/80/54/71/491805471.db2.gz NVOFLRUKCGJOFP-UHFFFAOYSA-N -2 3 360.436 0.535 20 0 FCADHL CC(C)(C)OCC[C@@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000583022931 491836313 /nfs/dbraw/zinc/83/63/13/491836313.db2.gz LNYNDCATXHFBBF-SNVBAGLBSA-N -2 3 361.420 0.602 20 0 FCADHL COC(=O)c1oc(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1C ZINC000596040453 491973544 /nfs/dbraw/zinc/97/35/44/491973544.db2.gz YEJZXACGWFIILT-VIFPVBQESA-N -2 3 357.344 0.072 20 0 FCADHL COC(=O)c1oc(S(=O)(=O)[N-][C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1C ZINC000596040453 491973547 /nfs/dbraw/zinc/97/35/47/491973547.db2.gz YEJZXACGWFIILT-VIFPVBQESA-N -2 3 357.344 0.072 20 0 FCADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000603808364 492042054 /nfs/dbraw/zinc/04/20/54/492042054.db2.gz WSRSJVSPNBSPFW-NSHDSACASA-N -2 3 352.416 0.690 20 0 FCADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cnn(CC(F)F)c3)ccc21 ZINC000604857846 492076050 /nfs/dbraw/zinc/07/60/50/492076050.db2.gz UUIRNFGDMVAPJN-UHFFFAOYSA-N -2 3 356.310 0.833 20 0 FCADHL Cc1ccc(-c2nc([N-]C(=O)c3nc(N)nc(N4CCOCC4)n3)n[n-]2)o1 ZINC000621916851 492432811 /nfs/dbraw/zinc/43/28/11/492432811.db2.gz AJJSRSTTWSYTJS-UHFFFAOYSA-N -2 3 371.361 0.229 20 0 FCADHL C[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000655559684 492457566 /nfs/dbraw/zinc/45/75/66/492457566.db2.gz PTXLNNJPCRNIQD-MRVPVSSYSA-N -2 3 368.333 0.821 20 0 FCADHL CC(C)[C@@H](CNC(=O)NCC[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000655870982 492481472 /nfs/dbraw/zinc/48/14/72/492481472.db2.gz CFYKPTLQKGHDMZ-SNVBAGLBSA-N -2 3 363.461 0.682 20 0 FCADHL O=C(CCC1(CCC(=O)N=c2ccc([O-])n[n-]2)CC1)N=c1ccc([O-])n[n-]1 ZINC000622847155 492490584 /nfs/dbraw/zinc/49/05/84/492490584.db2.gz KMQPFMHSABHNBM-UHFFFAOYSA-N -4 3 372.385 0.439 20 0 FCADHL Cc1cc(=O)n2[n-]c(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)nc2n1 ZINC000622870619 492491931 /nfs/dbraw/zinc/49/19/31/492491931.db2.gz APTPOASDVUZZTF-UHFFFAOYSA-N -2 3 368.357 0.272 20 0 FCADHL NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-] ZINC000656164391 492559335 /nfs/dbraw/zinc/55/93/35/492559335.db2.gz LAWOKPSQTDNUNU-QMMMGPOBSA-N -2 3 368.770 0.295 20 0 FCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)c1ccccc1F ZINC000646029039 493003605 /nfs/dbraw/zinc/00/36/05/493003605.db2.gz XDYFNQHYKOKUQA-LBPRGKRZSA-N -2 3 355.347 0.909 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000646153480 493020038 /nfs/dbraw/zinc/02/00/38/493020038.db2.gz GXUVUJNWYBRDSX-ZJUUUORDSA-N -2 3 361.445 0.579 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000659768889 493288179 /nfs/dbraw/zinc/28/81/79/493288179.db2.gz OXNYFNWHUODRQB-MRVPVSSYSA-N -2 3 368.371 0.690 20 0 FCADHL CCN(C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@@H](C)C(=O)[O-] ZINC000659776339 493289008 /nfs/dbraw/zinc/28/90/08/493289008.db2.gz REZYLWIVDDEHQO-VIFPVBQESA-N -2 3 364.370 0.955 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)cc1 ZINC000668310094 493329965 /nfs/dbraw/zinc/32/99/65/493329965.db2.gz MOXDEJUURUEDMJ-ZDUSSCGKSA-N -2 3 356.400 0.668 20 0 FCADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)C(F)F ZINC000685209879 493465948 /nfs/dbraw/zinc/46/59/48/493465948.db2.gz YOWVMXRKDBPXBM-SECBINFHSA-N -2 3 367.374 0.869 20 0 FCADHL CCN(C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C)[C@H](C)C(=O)[O-] ZINC000663124270 493573025 /nfs/dbraw/zinc/57/30/25/493573025.db2.gz IPTDCTSVVYOTDE-MRVPVSSYSA-N -2 3 360.370 0.847 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cn1 ZINC000663138956 493574225 /nfs/dbraw/zinc/57/42/25/493574225.db2.gz SDDXHAQVOOVUIF-UHFFFAOYSA-N -2 3 367.387 0.258 20 0 FCADHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000049152868 674353379 /nfs/dbraw/zinc/35/33/79/674353379.db2.gz MJDBPIISEJLNLP-UHFFFAOYSA-N -2 3 366.237 0.978 20 0 FCADHL CCC[C@H](O)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443283064 535716810 /nfs/dbraw/zinc/71/68/10/535716810.db2.gz KMLCQXSDMDOAHG-JTQLQIEISA-N -2 3 354.425 0.637 20 0 FCADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000594703162 546816801 /nfs/dbraw/zinc/81/68/01/546816801.db2.gz BFWLDEIPQWXHQG-IINYFYTJSA-N -2 3 359.400 0.972 20 0 FCADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000275280517 546864814 /nfs/dbraw/zinc/86/48/14/546864814.db2.gz ODCLJZOJJXGEFH-SNVBAGLBSA-N -2 3 353.347 0.621 20 0 FCADHL COC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736957437 598823593 /nfs/dbraw/zinc/82/35/93/598823593.db2.gz POPTXWWPWIAXKA-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736957437 598823594 /nfs/dbraw/zinc/82/35/94/598823594.db2.gz POPTXWWPWIAXKA-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1COc2ccccc21 ZINC000738140413 598856377 /nfs/dbraw/zinc/85/63/77/598856377.db2.gz UOJKCRJKNZFNHW-CYBMUJFWSA-N -2 3 371.378 0.848 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1COc2ccccc21 ZINC000738140413 598856378 /nfs/dbraw/zinc/85/63/78/598856378.db2.gz UOJKCRJKNZFNHW-CYBMUJFWSA-N -2 3 371.378 0.848 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736972392 598858475 /nfs/dbraw/zinc/85/84/75/598858475.db2.gz XQJORTXPFAOCNS-GQYWMQPJSA-N -2 3 351.388 0.361 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736972392 598858477 /nfs/dbraw/zinc/85/84/77/598858477.db2.gz XQJORTXPFAOCNS-GQYWMQPJSA-N -2 3 351.388 0.361 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000737015777 598931201 /nfs/dbraw/zinc/93/12/01/598931201.db2.gz DZEYVTGWEYOTES-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000737015777 598931202 /nfs/dbraw/zinc/93/12/02/598931202.db2.gz DZEYVTGWEYOTES-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000737300538 598968664 /nfs/dbraw/zinc/96/86/64/598968664.db2.gz AJCKUOOWLJOQQM-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000737301640 598969003 /nfs/dbraw/zinc/96/90/03/598969003.db2.gz PACMDQXPTKYZIY-UHFFFAOYSA-N -2 3 365.400 0.531 20 0 FCADHL CCOCCOCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736624253 598975638 /nfs/dbraw/zinc/97/56/38/598975638.db2.gz STFJCBYUSDMPDT-UHFFFAOYSA-N -2 3 369.403 0.033 20 0 FCADHL CCOCCOCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736624253 598975640 /nfs/dbraw/zinc/97/56/40/598975640.db2.gz STFJCBYUSDMPDT-UHFFFAOYSA-N -2 3 369.403 0.033 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc(C2CC2)n[nH]1 ZINC000737299554 598976274 /nfs/dbraw/zinc/97/62/74/598976274.db2.gz RTNLJPNUAPJNLO-UHFFFAOYSA-N -2 3 373.398 0.894 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000737023978 598493329 /nfs/dbraw/zinc/49/33/29/598493329.db2.gz PIUHXGWSKMDVPR-NSHDSACASA-N -2 3 361.358 0.577 20 0 FCADHL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737179223 598565767 /nfs/dbraw/zinc/56/57/67/598565767.db2.gz JLEDHRDXNDRQKM-SECBINFHSA-N -2 3 355.445 0.812 20 0 FCADHL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737179223 598565768 /nfs/dbraw/zinc/56/57/68/598565768.db2.gz JLEDHRDXNDRQKM-SECBINFHSA-N -2 3 355.445 0.812 20 0 FCADHL C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccc(-c2nnn[n-]2)c1 ZINC000820333993 599528823 /nfs/dbraw/zinc/52/88/23/599528823.db2.gz ILFZXTVZBLAUHD-VIFPVBQESA-N -2 3 365.357 0.129 20 0 FCADHL C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccc(-c2nn[n-]n2)c1 ZINC000820333993 599528825 /nfs/dbraw/zinc/52/88/25/599528825.db2.gz ILFZXTVZBLAUHD-VIFPVBQESA-N -2 3 365.357 0.129 20 0 FCADHL Cn1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C1CC1 ZINC000822704970 599620046 /nfs/dbraw/zinc/62/00/46/599620046.db2.gz TXUYJKUBZCGQGQ-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL Cn1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C1CC1 ZINC000822704970 599620047 /nfs/dbraw/zinc/62/00/47/599620047.db2.gz TXUYJKUBZCGQGQ-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL Cc1ncsc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822482503 599621619 /nfs/dbraw/zinc/62/16/19/599621619.db2.gz SVYKIIGISWUWSM-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1ncsc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822482503 599621620 /nfs/dbraw/zinc/62/16/20/599621620.db2.gz SVYKIIGISWUWSM-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)CC(F)(F)F ZINC000823050432 599626563 /nfs/dbraw/zinc/62/65/63/599626563.db2.gz ZELWEBLCUMICRV-UHFFFAOYSA-N -2 3 365.293 0.254 20 0 FCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)CC(F)(F)F ZINC000823050432 599626564 /nfs/dbraw/zinc/62/65/64/599626564.db2.gz ZELWEBLCUMICRV-UHFFFAOYSA-N -2 3 365.293 0.254 20 0 FCADHL CCCNC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000737024289 599769884 /nfs/dbraw/zinc/76/98/84/599769884.db2.gz GJAHAKHZULHDBQ-UHFFFAOYSA-N -2 3 373.431 0.247 20 0 FCADHL CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737486864 599772164 /nfs/dbraw/zinc/77/21/64/599772164.db2.gz OPABRRUWWKBIKR-UHFFFAOYSA-N -2 3 352.368 0.915 20 0 FCADHL O=C([O-])CSCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000739859128 599888032 /nfs/dbraw/zinc/88/80/32/599888032.db2.gz HWXNHDQMJDOFKQ-UHFFFAOYSA-N -2 3 372.877 0.614 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738336789 599938253 /nfs/dbraw/zinc/93/82/53/599938253.db2.gz WBSXTVOIDPDYQP-AWEZNQCLSA-N -2 3 372.381 0.385 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)[O-])c(Br)cc1F ZINC000737681781 599981563 /nfs/dbraw/zinc/98/15/63/599981563.db2.gz VCIKLPGIDQFTJG-UHFFFAOYSA-N -2 3 370.152 0.738 20 0 FCADHL Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2=O)n1 ZINC000833056316 600780513 /nfs/dbraw/zinc/78/05/13/600780513.db2.gz XBMKRPOEVQVGPO-SECBINFHSA-N -2 3 368.371 0.185 20 0 FCADHL C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000828493574 600919363 /nfs/dbraw/zinc/91/93/63/600919363.db2.gz HMGCRCUJIMJQBO-VIFPVBQESA-N -2 3 373.369 0.519 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C2CCN(CC(=O)N(C)C)CC2)cc1C(=O)[O-] ZINC000833027659 601221590 /nfs/dbraw/zinc/22/15/90/601221590.db2.gz IJHCXMBNTKNAIP-UHFFFAOYSA-N -2 3 373.431 0.117 20 0 FCADHL CC(C)N1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1=O ZINC000826961136 601233614 /nfs/dbraw/zinc/23/36/14/601233614.db2.gz MWWGGJIPOMTODH-MRVPVSSYSA-N -2 3 362.354 0.951 20 0 FCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000831584397 601267124 /nfs/dbraw/zinc/26/71/24/601267124.db2.gz DZFKVNJFMGEKCD-AWEZNQCLSA-N -2 3 363.363 0.770 20 0 FCADHL O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000833215425 601760181 /nfs/dbraw/zinc/76/01/81/601760181.db2.gz JRVMVOKPICXQRG-TZMCWYRMSA-N -2 3 362.382 0.699 20 0 FCADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(F)cc2F)CCS(=O)(=O)CC1 ZINC000833175823 601808560 /nfs/dbraw/zinc/80/85/60/601808560.db2.gz PANHSWLJXKFFFA-UHFFFAOYSA-N -2 3 369.367 0.275 20 0 FCADHL CC(C)CO[N-]C(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824272530 607551137 /nfs/dbraw/zinc/55/11/37/607551137.db2.gz ZTQBGIYILXIGTE-UHFFFAOYSA-N -2 3 353.404 0.485 20 0 FCADHL CC(C)CO[N-]C(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824272530 607551138 /nfs/dbraw/zinc/55/11/38/607551138.db2.gz ZTQBGIYILXIGTE-UHFFFAOYSA-N -2 3 353.404 0.485 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c(Br)o1 ZINC000055329874 602150169 /nfs/dbraw/zinc/15/01/69/602150169.db2.gz PHZUZNNJPOTHPG-YFKPBYRVSA-N -2 3 367.177 0.297 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCNC2=O)c(Br)o1 ZINC000055329873 602150362 /nfs/dbraw/zinc/15/03/62/602150362.db2.gz PHZUZNNJPOTHPG-RXMQYKEDSA-N -2 3 367.177 0.297 20 0 FCADHL CN1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1=O ZINC000312681031 602151982 /nfs/dbraw/zinc/15/19/82/602151982.db2.gz NFINYUPXUSYAOD-RXMQYKEDSA-N -2 3 367.177 0.249 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)N(C)C ZINC000055313615 602162718 /nfs/dbraw/zinc/16/27/18/602162718.db2.gz UMRJSZDATBUUFM-RXMQYKEDSA-N -2 3 369.193 0.495 20 0 FCADHL O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N-]OCc1cccnc1 ZINC000826411689 607594596 /nfs/dbraw/zinc/59/45/96/607594596.db2.gz JESVVNIGAWKVLH-UHFFFAOYSA-N -2 3 353.342 0.240 20 0 FCADHL O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N-]OCc1cccnc1 ZINC000826411689 607594598 /nfs/dbraw/zinc/59/45/98/607594598.db2.gz JESVVNIGAWKVLH-UHFFFAOYSA-N -2 3 353.342 0.240 20 0 FCADHL C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824686867 607641422 /nfs/dbraw/zinc/64/14/22/607641422.db2.gz CSPPVHHBFALLLV-YUMQZZPRSA-N -2 3 361.374 0.830 20 0 FCADHL COCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000831705275 604404547 /nfs/dbraw/zinc/40/45/47/604404547.db2.gz INAJSWPAJNLSKF-UHFFFAOYSA-N -2 3 355.372 0.891 20 0 FCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)c1F ZINC000828739000 604413026 /nfs/dbraw/zinc/41/30/26/604413026.db2.gz KVNNYWKHEPHPEF-UHFFFAOYSA-N -2 3 350.299 0.392 20 0 FCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2CN(C(=O)[O-])C2)cc1OC ZINC000827480090 604421453 /nfs/dbraw/zinc/42/14/53/604421453.db2.gz DXJGTPMWXMVNAI-UHFFFAOYSA-N -2 3 372.403 0.941 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCSCC1 ZINC000833701837 604702443 /nfs/dbraw/zinc/70/24/43/604702443.db2.gz JETCTNIPRICIDU-UHFFFAOYSA-N -2 3 366.442 0.558 20 0 FCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCSC1 ZINC000833715827 604704515 /nfs/dbraw/zinc/70/45/15/604704515.db2.gz FYMPFACNCNEWQF-ZDUSSCGKSA-N -2 3 363.388 0.851 20 0 FCADHL C[C@@H](CS(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)[O-] ZINC000833520022 605031340 /nfs/dbraw/zinc/03/13/40/605031340.db2.gz RGYFQABEVAUYIX-NSHDSACASA-N -2 3 356.400 0.201 20 0 FCADHL O=S(=O)([N-]N=c1nccc[nH]1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823583367 606865466 /nfs/dbraw/zinc/86/54/66/606865466.db2.gz PNCIXSPYCLYZKT-UHFFFAOYSA-N -2 3 354.302 0.240 20 0 FCADHL COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821663733 606872315 /nfs/dbraw/zinc/87/23/15/606872315.db2.gz LNTAGUGPQAZGPX-UHFFFAOYSA-N -2 3 374.382 0.778 20 0 FCADHL COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821663733 606872317 /nfs/dbraw/zinc/87/23/17/606872317.db2.gz LNTAGUGPQAZGPX-UHFFFAOYSA-N -2 3 374.382 0.778 20 0 FCADHL O=S(=O)([N-]CC[C@@H]1CCCO1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573909 606885141 /nfs/dbraw/zinc/88/51/41/606885141.db2.gz ZQNGTQCTMSVVFH-VIFPVBQESA-N -2 3 359.358 0.992 20 0 FCADHL CCC(CC)([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(N)=O ZINC000820893321 606888582 /nfs/dbraw/zinc/88/85/82/606888582.db2.gz NGIOSXABCCCIGJ-UHFFFAOYSA-N -2 3 374.373 0.467 20 0 FCADHL C[C@@]1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCO1 ZINC000820619238 606895193 /nfs/dbraw/zinc/89/51/93/606895193.db2.gz ZWWDMNXJSINNRL-ZDUSSCGKSA-N -2 3 359.358 0.992 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC000820675125 606922630 /nfs/dbraw/zinc/92/26/30/606922630.db2.gz HYWQBEVMWSVEHS-CPCISQLKSA-N -2 3 371.806 0.893 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC000820675125 606922632 /nfs/dbraw/zinc/92/26/32/606922632.db2.gz HYWQBEVMWSVEHS-CPCISQLKSA-N -2 3 371.806 0.893 20 0 FCADHL CC[C@@H](CCO)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820901719 607003808 /nfs/dbraw/zinc/00/38/08/607003808.db2.gz DVDWITOWWAASRZ-QMMMGPOBSA-N -2 3 361.374 0.832 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cn1C ZINC000821668072 607025641 /nfs/dbraw/zinc/02/56/41/607025641.db2.gz NIPIJKQMXNNNBT-UHFFFAOYSA-N -2 3 369.388 0.249 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)s1 ZINC000821670046 607026242 /nfs/dbraw/zinc/02/62/42/607026242.db2.gz KKSRJKZGRJLWRT-UHFFFAOYSA-N -2 3 372.413 0.972 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1C(N)=O ZINC000822267512 607026812 /nfs/dbraw/zinc/02/68/12/607026812.db2.gz XYQXLWOZCMSAEL-UHFFFAOYSA-N -2 3 365.400 0.531 20 0 FCADHL O=C([O-])C[C@H]1CSCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823387324 607107436 /nfs/dbraw/zinc/10/74/36/607107436.db2.gz IIDDOOAQQBVIKP-NSHDSACASA-N -2 3 363.399 0.664 20 0 FCADHL O=S(=O)([N-][C@H]1CCN(C2CC2)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487842 607852209 /nfs/dbraw/zinc/85/22/09/607852209.db2.gz BGCPAJLHGBTJGP-VIFPVBQESA-N -2 3 370.385 0.660 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000824744896 607860319 /nfs/dbraw/zinc/86/03/19/607860319.db2.gz IVUADCJAKKCTTN-JTQLQIEISA-N -2 3 365.415 0.880 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000824744896 607860318 /nfs/dbraw/zinc/86/03/18/607860318.db2.gz IVUADCJAKKCTTN-JTQLQIEISA-N -2 3 365.415 0.880 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826147653 607922751 /nfs/dbraw/zinc/92/27/51/607922751.db2.gz GIBJPWAHUIZFRG-UHFFFAOYSA-N -2 3 353.404 0.485 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826147653 607922752 /nfs/dbraw/zinc/92/27/52/607922752.db2.gz GIBJPWAHUIZFRG-UHFFFAOYSA-N -2 3 353.404 0.485 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826403270 607985627 /nfs/dbraw/zinc/98/56/27/607985627.db2.gz NVVUWKYQURTOGJ-VOTSOKGWSA-N -2 3 356.367 0.780 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826403270 607985628 /nfs/dbraw/zinc/98/56/28/607985628.db2.gz NVVUWKYQURTOGJ-VOTSOKGWSA-N -2 3 356.367 0.780 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826409178 607985765 /nfs/dbraw/zinc/98/57/65/607985765.db2.gz MEFADVZWOHPVRX-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826409178 607985766 /nfs/dbraw/zinc/98/57/66/607985766.db2.gz MEFADVZWOHPVRX-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC000824200337 608010205 /nfs/dbraw/zinc/01/02/05/608010205.db2.gz OSQYLNYBCHAKPS-JTQLQIEISA-N -2 3 359.795 0.908 20 0 FCADHL CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC000824200337 608010206 /nfs/dbraw/zinc/01/02/06/608010206.db2.gz OSQYLNYBCHAKPS-JTQLQIEISA-N -2 3 359.795 0.908 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC000824200338 608010300 /nfs/dbraw/zinc/01/03/00/608010300.db2.gz OSQYLNYBCHAKPS-SNVBAGLBSA-N -2 3 359.795 0.908 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC000824200338 608010301 /nfs/dbraw/zinc/01/03/01/608010301.db2.gz OSQYLNYBCHAKPS-SNVBAGLBSA-N -2 3 359.795 0.908 20 0 FCADHL O=C([O-])CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826461000 608010820 /nfs/dbraw/zinc/01/08/20/608010820.db2.gz AZMYMUOQAMZLGT-UHFFFAOYSA-N -2 3 365.293 0.639 20 0 FCADHL O=C([O-])CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826461000 608010821 /nfs/dbraw/zinc/01/08/21/608010821.db2.gz AZMYMUOQAMZLGT-UHFFFAOYSA-N -2 3 365.293 0.639 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000826461058 608010895 /nfs/dbraw/zinc/01/08/95/608010895.db2.gz DPILAUBIHHZKAU-SSDOTTSWSA-N -2 3 357.779 0.615 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCCC1 ZINC000826461530 608010893 /nfs/dbraw/zinc/01/08/93/608010893.db2.gz YLYDIARBTUBVHM-UHFFFAOYSA-N -2 3 355.351 0.682 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000826461058 608010896 /nfs/dbraw/zinc/01/08/96/608010896.db2.gz DPILAUBIHHZKAU-SSDOTTSWSA-N -2 3 357.779 0.615 20 0 FCADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826408403 608076555 /nfs/dbraw/zinc/07/65/55/608076555.db2.gz DUQFJYISRQVOEO-GFCCVEGCSA-N -2 3 365.415 0.282 20 0 FCADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826408403 608076556 /nfs/dbraw/zinc/07/65/56/608076556.db2.gz DUQFJYISRQVOEO-GFCCVEGCSA-N -2 3 365.415 0.282 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)sc1C ZINC000826272289 608476437 /nfs/dbraw/zinc/47/64/37/608476437.db2.gz CEPCUHIHWLKPQM-UHFFFAOYSA-N -2 3 352.401 0.992 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)sc1C ZINC000826272289 608476438 /nfs/dbraw/zinc/47/64/38/608476438.db2.gz CEPCUHIHWLKPQM-UHFFFAOYSA-N -2 3 352.401 0.992 20 0 FCADHL O=C([N-]N1CN=NC1=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826461172 609286045 /nfs/dbraw/zinc/28/60/45/609286045.db2.gz JHDQFUKZPRJNEM-UHFFFAOYSA-N -2 3 368.313 0.720 20 0 FCADHL O=C([N-]N1CN=NC1=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826461172 609286046 /nfs/dbraw/zinc/28/60/46/609286046.db2.gz JHDQFUKZPRJNEM-UHFFFAOYSA-N -2 3 368.313 0.720 20 0 FCADHL CC(C)(C)OCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000824119423 609384863 /nfs/dbraw/zinc/38/48/63/609384863.db2.gz IHYFXURKBJWYMR-UHFFFAOYSA-N -2 3 353.404 0.628 20 0 FCADHL CC(C)(C)OCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000824119423 609384864 /nfs/dbraw/zinc/38/48/64/609384864.db2.gz IHYFXURKBJWYMR-UHFFFAOYSA-N -2 3 353.404 0.628 20 0 FCADHL COCCN(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000322432974 665821420 /nfs/dbraw/zinc/82/14/20/665821420.db2.gz PBUYFXSMGVRZOR-UHFFFAOYSA-N -2 3 352.359 0.520 20 0 FCADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc3c(cc2[O-])OCO3)s1 ZINC000436545390 665983816 /nfs/dbraw/zinc/98/38/16/665983816.db2.gz GMDUSPLWEXVBKH-UHFFFAOYSA-N -2 3 358.357 0.596 20 0 FCADHL COc1cc(F)c(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc1OC ZINC000026527065 664299499 /nfs/dbraw/zinc/29/94/99/664299499.db2.gz DXLZCCHSNHVADB-UHFFFAOYSA-N -2 3 355.347 0.861 20 0 FCADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436616468 664471545 /nfs/dbraw/zinc/47/15/45/664471545.db2.gz IGNIVFGUSPKKIM-UHFFFAOYSA-N -2 3 366.351 0.987 20 0 FCADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1 ZINC000070776428 666579146 /nfs/dbraw/zinc/57/91/46/666579146.db2.gz FFVFIFDTEHQABG-UHFFFAOYSA-N -3 3 361.376 0.305 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)c(=O)[n-]1 ZINC000756588455 667679939 /nfs/dbraw/zinc/67/99/39/667679939.db2.gz GVBWKGARHMXMRF-UHFFFAOYSA-N -2 3 356.791 0.895 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCO[C@@H]1CCOC1 ZINC000923256488 667819817 /nfs/dbraw/zinc/81/98/17/667819817.db2.gz YRNFSKBDKMMBNS-MXWKQRLJSA-N -2 3 354.325 0.388 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737817904 667887465 /nfs/dbraw/zinc/88/74/65/667887465.db2.gz FKFPSFYUQJQNQU-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737817904 667887469 /nfs/dbraw/zinc/88/74/69/667887469.db2.gz FKFPSFYUQJQNQU-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000776616256 668279547 /nfs/dbraw/zinc/27/95/47/668279547.db2.gz XATURSRPMROFDQ-SFYZADRCSA-N -2 3 360.775 0.829 20 0 FCADHL C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000780694772 668483920 /nfs/dbraw/zinc/48/39/20/668483920.db2.gz JSDGLMWZCJCFCP-ZCFIWIBFSA-N -2 3 355.825 0.452 20 0 FCADHL CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898080 668681110 /nfs/dbraw/zinc/68/11/10/668681110.db2.gz UUHRRMJNJIZGGI-ZETCQYMHSA-N -2 3 370.449 0.754 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1=O ZINC000824868237 669421936 /nfs/dbraw/zinc/42/19/36/669421936.db2.gz UIRZRYUZYRGHME-GXSJLCMTSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1=O ZINC000824868237 669421941 /nfs/dbraw/zinc/42/19/41/669421941.db2.gz UIRZRYUZYRGHME-GXSJLCMTSA-N -2 3 363.399 0.677 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000825679781 669464454 /nfs/dbraw/zinc/46/44/54/669464454.db2.gz FYXDWMHZSXBXJW-CPCISQLKSA-N -2 3 357.367 0.783 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C)s1 ZINC000826272322 669489095 /nfs/dbraw/zinc/48/90/95/669489095.db2.gz DLAOSZGAKHPIIJ-UHFFFAOYSA-N -2 3 352.401 0.992 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C)s1 ZINC000826272322 669489101 /nfs/dbraw/zinc/48/91/01/669489101.db2.gz DLAOSZGAKHPIIJ-UHFFFAOYSA-N -2 3 352.401 0.992 20 0 FCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)[C@H]1CCOC1 ZINC000837287235 670094092 /nfs/dbraw/zinc/09/40/92/670094092.db2.gz UUWSMDVOGQKYKR-RCOVLWMOSA-N -2 3 361.763 0.644 20 0 FCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)[C@@H]1CCOC1 ZINC000837287232 670094133 /nfs/dbraw/zinc/09/41/33/670094133.db2.gz UUWSMDVOGQKYKR-HZGVNTEJSA-N -2 3 361.763 0.644 20 0 FCADHL CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840891700 670523864 /nfs/dbraw/zinc/52/38/64/670523864.db2.gz ZOKQIUOTEVTLMW-PRHODGIISA-N -2 3 365.354 0.993 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOC[C@H]2CCOC2)c(F)cc1F ZINC000844894256 670953483 /nfs/dbraw/zinc/95/34/83/670953483.db2.gz JWMWTYGSAZOEEY-VIFPVBQESA-N -2 3 365.354 0.994 20 0 FCADHL CCO[N-]C(=O)CC[C@@H](NC(=O)c1ccccc1F)C(=O)[N-]OCC ZINC000845140588 670969126 /nfs/dbraw/zinc/96/91/26/670969126.db2.gz ICPHOMWLJFPSQM-CYBMUJFWSA-N -2 3 355.366 0.840 20 0 FCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000846001907 671064669 /nfs/dbraw/zinc/06/46/69/671064669.db2.gz ITXISJWKQVVEOL-UHFFFAOYSA-N -2 3 355.185 0.934 20 0 FCADHL CC(C)OC(=O)CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733653 671519909 /nfs/dbraw/zinc/51/99/09/671519909.db2.gz VIAPTXRHILSELF-ONGXEEELSA-N -2 3 354.325 0.924 20 0 FCADHL Cc1noc(CCCN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000852735064 671521246 /nfs/dbraw/zinc/52/12/46/671521246.db2.gz FDXVKMQBRWMGOF-MWLCHTKSSA-N -2 3 364.324 0.907 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC[C@H]1C(=O)[O-] ZINC000861717500 671984653 /nfs/dbraw/zinc/98/46/53/671984653.db2.gz FDSXDQRKNBMYIS-NKWVEPMBSA-N -2 3 363.296 0.009 20 0 FCADHL O=C(N[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2)c1cnc[n-]c1=O ZINC001007638654 1212543676 /nfs/dbraw/zinc/54/36/76/1212543676.db2.gz RROMXCSEWVYHAZ-VOJFVSQTSA-N -2 3 369.381 0.708 20 0 FCADHL Cc1cc(=O)oc2cc([O-])c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc12 ZINC001226532568 1225846229 /nfs/dbraw/zinc/84/62/29/1225846229.db2.gz TVWRJOXCZGQUKV-RMLUDKJBSA-N -3 3 366.278 0.249 20 0 FCADHL Cn1c(=O)c2ccc(C(=O)N3CCc4nc[n-]c(=O)c4C3)cc2[n-]c1=S ZINC000750785504 1219996901 /nfs/dbraw/zinc/99/69/01/1219996901.db2.gz AXZOTHCRYQKXDP-UHFFFAOYSA-N -2 3 369.406 0.916 20 0 FCADHL CN(C)CCC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001229304086 1225998979 /nfs/dbraw/zinc/99/89/79/1225998979.db2.gz ZDKFSMSWHMSPFP-WFASDCNBSA-N -2 3 367.354 0.263 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC001116646363 1221376292 /nfs/dbraw/zinc/37/62/92/1221376292.db2.gz BVNPQCZMWJYZDS-JTQLQIEISA-N -2 3 368.401 0.458 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC001116646364 1221376400 /nfs/dbraw/zinc/37/64/00/1221376400.db2.gz BVNPQCZMWJYZDS-SNVBAGLBSA-N -2 3 368.401 0.458 20 0 FCADHL CC(C)[C@@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574060616 1271049479 /nfs/dbraw/zinc/04/94/79/1271049479.db2.gz DQNZBEXOIGWANX-SNVBAGLBSA-N -2 3 369.389 0.624 20 0 FCADHL CC(C)[C@@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574060616 1271049482 /nfs/dbraw/zinc/04/94/82/1271049482.db2.gz DQNZBEXOIGWANX-SNVBAGLBSA-N -2 3 369.389 0.624 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N(C)CCN(C)C(=O)c2ncccc2[O-])n1 ZINC001580639853 1278606380 /nfs/dbraw/zinc/60/63/80/1278606380.db2.gz PGBHNLFHHUCOGO-UHFFFAOYSA-N -2 3 369.389 0.274 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N(C)CCN(C)C(=O)c2ncccc2[O-])n1 ZINC001580639853 1278606406 /nfs/dbraw/zinc/60/64/06/1278606406.db2.gz PGBHNLFHHUCOGO-UHFFFAOYSA-N -2 3 369.389 0.274 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575357307 1271992949 /nfs/dbraw/zinc/99/29/49/1271992949.db2.gz XNHLQJKVMATIEZ-RKDXNWHRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575357307 1271992956 /nfs/dbraw/zinc/99/29/56/1271992956.db2.gz XNHLQJKVMATIEZ-RKDXNWHRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001575439796 1272109856 /nfs/dbraw/zinc/10/98/56/1272109856.db2.gz VPIVTSMBTOCHRR-RKDXNWHRSA-N -2 3 355.362 0.254 20 0 FCADHL C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001575439796 1272109859 /nfs/dbraw/zinc/10/98/59/1272109859.db2.gz VPIVTSMBTOCHRR-RKDXNWHRSA-N -2 3 355.362 0.254 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CCNC(=O)c2ncccc2[O-])n1 ZINC001580690644 1278723380 /nfs/dbraw/zinc/72/33/80/1278723380.db2.gz SOHTZCTZWWONIH-VIFPVBQESA-N -2 3 369.389 0.686 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CCNC(=O)c2ncccc2[O-])n1 ZINC001580690644 1278723402 /nfs/dbraw/zinc/72/34/02/1278723402.db2.gz SOHTZCTZWWONIH-VIFPVBQESA-N -2 3 369.389 0.686 20 0 FCADHL C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1ncccc1[O-] ZINC001576062791 1272808188 /nfs/dbraw/zinc/80/81/88/1272808188.db2.gz SLQTVERHOQFPNS-NXEZZACHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1ncccc1[O-] ZINC001576062791 1272808202 /nfs/dbraw/zinc/80/82/02/1272808202.db2.gz SLQTVERHOQFPNS-NXEZZACHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ncccc1[O-] ZINC001576075616 1272844768 /nfs/dbraw/zinc/84/47/68/1272844768.db2.gz GXVDNEJBDUQBJX-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ncccc1[O-] ZINC001576075616 1272844781 /nfs/dbraw/zinc/84/47/81/1272844781.db2.gz GXVDNEJBDUQBJX-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccc(-c2nnn[n-]2)nc1 ZINC001576853305 1273803274 /nfs/dbraw/zinc/80/32/74/1273803274.db2.gz XXRTUTRUSSXAAR-SECBINFHSA-N -2 3 357.378 0.619 20 0 FCADHL CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576853305 1273803281 /nfs/dbraw/zinc/80/32/81/1273803281.db2.gz XXRTUTRUSSXAAR-SECBINFHSA-N -2 3 357.378 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CCNc2nc(C)cc(-c3nnn[n-]3)n2)c1[O-] ZINC001580741908 1278849585 /nfs/dbraw/zinc/84/95/85/1278849585.db2.gz SXPPGADEGZAORV-SSDOTTSWSA-N -2 3 372.393 0.323 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CCNc2nc(C)cc(-c3nn[n-]n3)n2)c1[O-] ZINC001580741908 1278849593 /nfs/dbraw/zinc/84/95/93/1278849593.db2.gz SXPPGADEGZAORV-SSDOTTSWSA-N -2 3 372.393 0.323 20 0 FCADHL CN(c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC001579276113 1277084868 /nfs/dbraw/zinc/08/48/68/1277084868.db2.gz OXABFIRFBSQTIJ-LLVKDONJSA-N -2 3 355.362 0.041 20 0 FCADHL CN(c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC001579276113 1277084869 /nfs/dbraw/zinc/08/48/69/1277084869.db2.gz OXABFIRFBSQTIJ-LLVKDONJSA-N -2 3 355.362 0.041 20 0 FCADHL COC(=O)C(F)(F)C[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001579435678 1277308238 /nfs/dbraw/zinc/30/82/38/1277308238.db2.gz CNMGZZKWQOVZOJ-UHFFFAOYSA-N -2 3 353.332 0.015 20 0 FCADHL COC(=O)C[C@@](C)(NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001579445393 1277331024 /nfs/dbraw/zinc/33/10/24/1277331024.db2.gz GOUDXSGJPJZSRH-MRXNPFEDSA-N -2 3 372.389 0.436 20 0 FCADHL COC(=O)CC(C)(C)N(C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001579446187 1277332576 /nfs/dbraw/zinc/33/25/76/1277332576.db2.gz QIQRLSYIMUGIDI-UHFFFAOYSA-N -2 3 360.378 0.389 20 0 FCADHL COC(=O)[C@@H]1CC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001579467827 1277363857 /nfs/dbraw/zinc/36/38/57/1277363857.db2.gz HVLSBPOVSAMYLL-XCBNKYQSSA-N -2 3 373.341 0.375 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001603203679 1287329373 /nfs/dbraw/zinc/32/93/73/1287329373.db2.gz WXGODOVVZYAAPB-LLVKDONJSA-N -2 3 364.431 0.934 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603231072 1287336458 /nfs/dbraw/zinc/33/64/58/1287336458.db2.gz KCBWOPXZPQBFQE-LLVKDONJSA-N -2 3 357.367 0.534 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603231072 1287336465 /nfs/dbraw/zinc/33/64/65/1287336465.db2.gz KCBWOPXZPQBFQE-LLVKDONJSA-N -2 3 357.367 0.534 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001581057315 1279301491 /nfs/dbraw/zinc/30/14/91/1279301491.db2.gz APKVJBLGWSONJE-NSHDSACASA-N -2 3 368.401 0.925 20 0 FCADHL Cc1n[nH]c(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCC2)c1[O-] ZINC001581391309 1279821928 /nfs/dbraw/zinc/82/19/28/1279821928.db2.gz GGLLZNHWAUXKNJ-UHFFFAOYSA-N -2 3 370.377 0.158 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581391559 1279822652 /nfs/dbraw/zinc/82/26/52/1279822652.db2.gz UEROVPDXVLOQJO-JGVFFNPUSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581391559 1279822662 /nfs/dbraw/zinc/82/26/62/1279822662.db2.gz UEROVPDXVLOQJO-JGVFFNPUSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)CNc2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581392098 1279824101 /nfs/dbraw/zinc/82/41/01/1279824101.db2.gz VKUGCKDTSIUNMR-QMMMGPOBSA-N -2 3 357.378 0.477 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581391984 1279824135 /nfs/dbraw/zinc/82/41/35/1279824135.db2.gz RBJMHZAGGVMGMG-QMMMGPOBSA-N -2 3 357.378 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1[O-] ZINC001581391768 1279824644 /nfs/dbraw/zinc/82/46/44/1279824644.db2.gz VYYHQBHHUMCIMH-BQBZGAKWSA-N -2 3 358.366 0.013 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1[O-] ZINC001581391768 1279824647 /nfs/dbraw/zinc/82/46/47/1279824647.db2.gz VYYHQBHHUMCIMH-BQBZGAKWSA-N -2 3 358.366 0.013 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1[O-] ZINC001581392684 1279829885 /nfs/dbraw/zinc/82/98/85/1279829885.db2.gz PEHCWAKMPYLNEQ-KYZUINATSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1[O-] ZINC001581392684 1279829893 /nfs/dbraw/zinc/82/98/93/1279829893.db2.gz PEHCWAKMPYLNEQ-KYZUINATSA-N -2 3 370.377 0.014 20 0 FCADHL C[C@@H](CCC(=O)[O-])NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001603464720 1287379143 /nfs/dbraw/zinc/37/91/43/1287379143.db2.gz CKYOEOWHQZUHQK-QMMMGPOBSA-N -2 3 357.367 0.679 20 0 FCADHL CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001603771161 1287491902 /nfs/dbraw/zinc/49/19/02/1287491902.db2.gz WFWZIIBZDYYZFF-LLVKDONJSA-N -2 3 351.388 0.883 20 0 FCADHL CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001603771161 1287491906 /nfs/dbraw/zinc/49/19/06/1287491906.db2.gz WFWZIIBZDYYZFF-LLVKDONJSA-N -2 3 351.388 0.883 20 0 FCADHL O=C(NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ncccc1[O-] ZINC001582363558 1281415545 /nfs/dbraw/zinc/41/55/45/1281415545.db2.gz VHGQOLXERBINIG-JTQLQIEISA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ncccc1[O-] ZINC001582363558 1281415549 /nfs/dbraw/zinc/41/55/49/1281415549.db2.gz VHGQOLXERBINIG-JTQLQIEISA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1ncccc1[O-] ZINC001582394195 1281455900 /nfs/dbraw/zinc/45/59/00/1281455900.db2.gz BCZUSEAALVYDJJ-UHFFFAOYSA-N -2 3 367.373 0.522 20 0 FCADHL O=C(NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1ncccc1[O-] ZINC001582394195 1281455905 /nfs/dbraw/zinc/45/59/05/1281455905.db2.gz BCZUSEAALVYDJJ-UHFFFAOYSA-N -2 3 367.373 0.522 20 0 FCADHL O=C(NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ncccc1[O-] ZINC001582447513 1281547408 /nfs/dbraw/zinc/54/74/08/1281547408.db2.gz MYPJICCDZFLUFG-JTQLQIEISA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ncccc1[O-] ZINC001582447513 1281547416 /nfs/dbraw/zinc/54/74/16/1281547416.db2.gz MYPJICCDZFLUFG-JTQLQIEISA-N -2 3 367.373 0.156 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001603830380 1287509094 /nfs/dbraw/zinc/50/90/94/1287509094.db2.gz IKOJWEKREDMLJZ-CBAPKCEASA-N -2 3 355.351 0.490 20 0 FCADHL O=C(Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1)c1c[n-]ncc1=O ZINC001582647725 1281838967 /nfs/dbraw/zinc/83/89/67/1281838967.db2.gz UBWPPSRKCAWCAN-UHFFFAOYSA-N -2 3 350.302 0.195 20 0 FCADHL O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)c1c[n-]ncc1=O ZINC001582647725 1281838976 /nfs/dbraw/zinc/83/89/76/1281838976.db2.gz UBWPPSRKCAWCAN-UHFFFAOYSA-N -2 3 350.302 0.195 20 0 FCADHL O=C(Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1)c1cnncc1[O-] ZINC001582647725 1281838988 /nfs/dbraw/zinc/83/89/88/1281838988.db2.gz UBWPPSRKCAWCAN-UHFFFAOYSA-N -2 3 350.302 0.195 20 0 FCADHL O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)c1cnncc1[O-] ZINC001582647725 1281838998 /nfs/dbraw/zinc/83/89/98/1281838998.db2.gz UBWPPSRKCAWCAN-UHFFFAOYSA-N -2 3 350.302 0.195 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001582751609 1281976407 /nfs/dbraw/zinc/97/64/07/1281976407.db2.gz OIGFYZODXHQSFO-VIFPVBQESA-N -2 3 353.346 0.084 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001582751609 1281976409 /nfs/dbraw/zinc/97/64/09/1281976409.db2.gz OIGFYZODXHQSFO-VIFPVBQESA-N -2 3 353.346 0.084 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001582751511 1281976609 /nfs/dbraw/zinc/97/66/09/1281976609.db2.gz JNWLLXZZCCVMOH-JTQLQIEISA-N -2 3 367.373 0.332 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001582751511 1281976611 /nfs/dbraw/zinc/97/66/11/1281976611.db2.gz JNWLLXZZCCVMOH-JTQLQIEISA-N -2 3 367.373 0.332 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001582751562 1281976681 /nfs/dbraw/zinc/97/66/81/1281976681.db2.gz LUSMMPNEYQVUKU-LLVKDONJSA-N -2 3 352.358 0.689 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001582751562 1281976684 /nfs/dbraw/zinc/97/66/84/1281976684.db2.gz LUSMMPNEYQVUKU-LLVKDONJSA-N -2 3 352.358 0.689 20 0 FCADHL O=S(=O)([N-][C@@H]1C[C@H]2CC[C@@H]1O2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582798956 1282022268 /nfs/dbraw/zinc/02/22/68/1282022268.db2.gz NEYPHQDSTPBFPK-ONOSFVFSSA-N -2 3 357.342 0.743 20 0 FCADHL O=c1cc(CN2CCO[C@H](C(F)F)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814415 1282036904 /nfs/dbraw/zinc/03/69/04/1282036904.db2.gz JNIYZEUUSMSXKH-VIFPVBQESA-N -2 3 352.305 0.081 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001604005830 1287552041 /nfs/dbraw/zinc/55/20/41/1287552041.db2.gz AMSKWXDOJNBKJH-MRVPVSSYSA-N -2 3 354.392 0.444 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001604005830 1287552044 /nfs/dbraw/zinc/55/20/44/1287552044.db2.gz AMSKWXDOJNBKJH-MRVPVSSYSA-N -2 3 354.392 0.444 20 0 FCADHL CC(C)n1nccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[n-]c1=O ZINC001604048270 1287561334 /nfs/dbraw/zinc/56/13/34/1287561334.db2.gz TYIKTKHVHROWHA-MRVPVSSYSA-N -3 3 355.351 0.084 20 0 FCADHL CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC001604096004 1287569692 /nfs/dbraw/zinc/56/96/92/1287569692.db2.gz FONMOBKGOOSQAI-QWRGUYRKSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC001604096004 1287569700 /nfs/dbraw/zinc/56/97/00/1287569700.db2.gz FONMOBKGOOSQAI-QWRGUYRKSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC001604096005 1287570185 /nfs/dbraw/zinc/57/01/85/1287570185.db2.gz FONMOBKGOOSQAI-WDEREUQCSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC001604096005 1287570186 /nfs/dbraw/zinc/57/01/86/1287570186.db2.gz FONMOBKGOOSQAI-WDEREUQCSA-N -2 3 365.415 0.877 20 0 FCADHL CC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588791655 1282701929 /nfs/dbraw/zinc/70/19/29/1282701929.db2.gz FPVQPPYWSBJEKF-UHFFFAOYSA-N -2 3 351.388 0.572 20 0 FCADHL CC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588791655 1282701937 /nfs/dbraw/zinc/70/19/37/1282701937.db2.gz FPVQPPYWSBJEKF-UHFFFAOYSA-N -2 3 351.388 0.572 20 0 FCADHL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588883491 1282723754 /nfs/dbraw/zinc/72/37/54/1282723754.db2.gz DLQWGGWMCKNJMM-UHFFFAOYSA-N -2 3 359.371 0.443 20 0 FCADHL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588883491 1282723759 /nfs/dbraw/zinc/72/37/59/1282723759.db2.gz DLQWGGWMCKNJMM-UHFFFAOYSA-N -2 3 359.371 0.443 20 0 FCADHL C[C@H](C(=O)[O-])C1(NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589025558 1282778263 /nfs/dbraw/zinc/77/82/63/1282778263.db2.gz YTLGUJQQFIFGSQ-SECBINFHSA-N -2 3 351.388 0.539 20 0 FCADHL CCN([C@H](C)C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001604268626 1287596883 /nfs/dbraw/zinc/59/68/83/1287596883.db2.gz SXZQDPIPISTSSB-MRVPVSSYSA-N -2 3 357.367 0.631 20 0 FCADHL CCN([C@H](C)C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001604268626 1287596887 /nfs/dbraw/zinc/59/68/87/1287596887.db2.gz SXZQDPIPISTSSB-MRVPVSSYSA-N -2 3 357.367 0.631 20 0 FCADHL CCN([C@@H](C)C(=O)[O-])S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001604268390 1287597417 /nfs/dbraw/zinc/59/74/17/1287597417.db2.gz PMEFSKSTECAQLB-QMMMGPOBSA-N -2 3 357.367 0.631 20 0 FCADHL CCN([C@@H](C)C(=O)[O-])S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001604268390 1287597423 /nfs/dbraw/zinc/59/74/23/1287597423.db2.gz PMEFSKSTECAQLB-QMMMGPOBSA-N -2 3 357.367 0.631 20 0 FCADHL CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589097137 1282797366 /nfs/dbraw/zinc/79/73/66/1282797366.db2.gz XPLBGWAQCQENJF-NSHDSACASA-N -2 3 368.419 0.241 20 0 FCADHL CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589097137 1282797380 /nfs/dbraw/zinc/79/73/80/1282797380.db2.gz XPLBGWAQCQENJF-NSHDSACASA-N -2 3 368.419 0.241 20 0 FCADHL CC(C)(CNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)CC(=O)[O-] ZINC001589287314 1282831090 /nfs/dbraw/zinc/83/10/90/1282831090.db2.gz BOJUERZMICNGDP-UHFFFAOYSA-N -2 3 371.394 0.926 20 0 FCADHL CC(C)(CNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)CC(=O)[O-] ZINC001589287314 1282831098 /nfs/dbraw/zinc/83/10/98/1282831098.db2.gz BOJUERZMICNGDP-UHFFFAOYSA-N -2 3 371.394 0.926 20 0 FCADHL CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589553282 1282908522 /nfs/dbraw/zinc/90/85/22/1282908522.db2.gz VDNMPPUFXMEHGW-NSHDSACASA-N -2 3 360.374 0.668 20 0 FCADHL CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589553282 1282908532 /nfs/dbraw/zinc/90/85/32/1282908532.db2.gz VDNMPPUFXMEHGW-NSHDSACASA-N -2 3 360.374 0.668 20 0 FCADHL CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589638920 1282928169 /nfs/dbraw/zinc/92/81/69/1282928169.db2.gz HOWVWEVUHNZLDP-SECBINFHSA-N -2 3 354.392 0.128 20 0 FCADHL CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589638920 1282928172 /nfs/dbraw/zinc/92/81/72/1282928172.db2.gz HOWVWEVUHNZLDP-SECBINFHSA-N -2 3 354.392 0.128 20 0 FCADHL CC(C)COCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589644730 1282931449 /nfs/dbraw/zinc/93/14/49/1282931449.db2.gz DUZZJAOAGHBMIO-UHFFFAOYSA-N -2 3 354.392 0.129 20 0 FCADHL CC(C)COCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589644730 1282931458 /nfs/dbraw/zinc/93/14/58/1282931458.db2.gz DUZZJAOAGHBMIO-UHFFFAOYSA-N -2 3 354.392 0.129 20 0 FCADHL CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589654587 1282933605 /nfs/dbraw/zinc/93/36/05/1282933605.db2.gz XFXJWGJGEHKCNF-GFCCVEGCSA-N -2 3 371.394 0.925 20 0 FCADHL CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589654587 1282933614 /nfs/dbraw/zinc/93/36/14/1282933614.db2.gz XFXJWGJGEHKCNF-GFCCVEGCSA-N -2 3 371.394 0.925 20 0 FCADHL CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001589659672 1282933649 /nfs/dbraw/zinc/93/36/49/1282933649.db2.gz GFFBEERLFUZCPA-NSHDSACASA-N -2 3 357.367 0.783 20 0 FCADHL C[C@@H](CCCNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589815672 1283046442 /nfs/dbraw/zinc/04/64/42/1283046442.db2.gz GQZNSDLHHCIZKF-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL C[C@@H](CCCNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589815672 1283046453 /nfs/dbraw/zinc/04/64/53/1283046453.db2.gz GQZNSDLHHCIZKF-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL C[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC001589831192 1283071329 /nfs/dbraw/zinc/07/13/29/1283071329.db2.gz SPJAALZMNKJFSY-ZETCQYMHSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC001589831192 1283071335 /nfs/dbraw/zinc/07/13/35/1283071335.db2.gz SPJAALZMNKJFSY-ZETCQYMHSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001589973973 1283151169 /nfs/dbraw/zinc/15/11/69/1283151169.db2.gz KTFRCFUPLBXYJR-SFYZADRCSA-N -2 3 357.367 0.534 20 0 FCADHL C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001589973973 1283151171 /nfs/dbraw/zinc/15/11/71/1283151171.db2.gz KTFRCFUPLBXYJR-SFYZADRCSA-N -2 3 357.367 0.534 20 0 FCADHL C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001589983398 1283155966 /nfs/dbraw/zinc/15/59/66/1283155966.db2.gz QGZVCLYDZKTQCD-IUCAKERBSA-N -2 3 355.362 0.833 20 0 FCADHL CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC001590156096 1283253640 /nfs/dbraw/zinc/25/36/40/1283253640.db2.gz LSDDSMCQTOJARS-UHFFFAOYSA-N -2 3 367.362 0.634 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CO1 ZINC001590183642 1283290887 /nfs/dbraw/zinc/29/08/87/1283290887.db2.gz OGHBAMMJPFXPDR-SFYZADRCSA-N -2 3 371.806 0.750 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CO1 ZINC001590183642 1283290894 /nfs/dbraw/zinc/29/08/94/1283290894.db2.gz OGHBAMMJPFXPDR-SFYZADRCSA-N -2 3 371.806 0.750 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC001590185218 1283292819 /nfs/dbraw/zinc/29/28/19/1283292819.db2.gz NARDQKGPUFQWNA-SFYZADRCSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC001590185218 1283292828 /nfs/dbraw/zinc/29/28/28/1283292828.db2.gz NARDQKGPUFQWNA-SFYZADRCSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590225090 1283354306 /nfs/dbraw/zinc/35/43/06/1283354306.db2.gz BXWBCEDZKQDBTK-DTWKUNHWSA-N -2 3 352.376 0.136 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590225090 1283354313 /nfs/dbraw/zinc/35/43/13/1283354313.db2.gz BXWBCEDZKQDBTK-DTWKUNHWSA-N -2 3 352.376 0.136 20 0 FCADHL C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590246528 1283376610 /nfs/dbraw/zinc/37/66/10/1283376610.db2.gz CRELNWFCINTLNE-RMLUDKJBSA-N -2 3 373.385 0.974 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H]1C(=O)[O-] ZINC001590277961 1283407508 /nfs/dbraw/zinc/40/75/08/1283407508.db2.gz ZMYOGKIWHQFWPG-QUBYGPBYSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H]1C(=O)[O-] ZINC001590277961 1283407514 /nfs/dbraw/zinc/40/75/14/1283407514.db2.gz ZMYOGKIWHQFWPG-QUBYGPBYSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC[C@H]1C(=O)[O-] ZINC001590282015 1283409897 /nfs/dbraw/zinc/40/98/97/1283409897.db2.gz IJAAONISZXVGFR-GXFFZTMASA-N -2 3 372.385 0.052 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC[C@H]1C(=O)[O-] ZINC001590282015 1283409901 /nfs/dbraw/zinc/40/99/01/1283409901.db2.gz IJAAONISZXVGFR-GXFFZTMASA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590336131 1283484044 /nfs/dbraw/zinc/48/40/44/1283484044.db2.gz JQZOSBKLGNDYNZ-OIBJUYFYSA-N -2 3 355.401 0.403 20 0 FCADHL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590336131 1283484050 /nfs/dbraw/zinc/48/40/50/1283484050.db2.gz JQZOSBKLGNDYNZ-OIBJUYFYSA-N -2 3 355.401 0.403 20 0 FCADHL C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590354033 1283497135 /nfs/dbraw/zinc/49/71/35/1283497135.db2.gz RMHDDMAYRCHNPY-GKQMSVHHSA-N -2 3 359.358 0.750 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590409566 1283525692 /nfs/dbraw/zinc/52/56/92/1283525692.db2.gz LTNNJSCRFBAKAW-SNVBAGLBSA-N -2 3 353.404 0.882 20 0 FCADHL CC1(C)CCC([N-]S(=O)(=O)c2scnc2C(=O)[O-])(C(N)=O)CC1 ZINC001604526272 1287650676 /nfs/dbraw/zinc/65/06/76/1287650676.db2.gz VZXQSZOJFMBWGB-UHFFFAOYSA-N -2 3 361.445 0.944 20 0 FCADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590676665 1283723703 /nfs/dbraw/zinc/72/37/03/1283723703.db2.gz JRZIOQVITCGKDV-JTQLQIEISA-N -2 3 353.404 0.882 20 0 FCADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590676665 1283723714 /nfs/dbraw/zinc/72/37/14/1283723714.db2.gz JRZIOQVITCGKDV-JTQLQIEISA-N -2 3 353.404 0.882 20 0 FCADHL CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590790192 1283847146 /nfs/dbraw/zinc/84/71/46/1283847146.db2.gz JAXFTQHLSXOSKA-NXEZZACHSA-N -2 3 367.387 0.105 20 0 FCADHL CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590790192 1283847156 /nfs/dbraw/zinc/84/71/56/1283847156.db2.gz JAXFTQHLSXOSKA-NXEZZACHSA-N -2 3 367.387 0.105 20 0 FCADHL CCc1ncncc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001604575767 1287670475 /nfs/dbraw/zinc/67/04/75/1287670475.db2.gz FMNVECANOGZAQH-UHFFFAOYSA-N -2 3 359.371 0.338 20 0 FCADHL CCc1ncncc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001604575767 1287670482 /nfs/dbraw/zinc/67/04/82/1287670482.db2.gz FMNVECANOGZAQH-UHFFFAOYSA-N -2 3 359.371 0.338 20 0 FCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001590831095 1283912500 /nfs/dbraw/zinc/91/25/00/1283912500.db2.gz RZKOUEBETLZTGR-LBPRGKRZSA-N -2 3 362.346 0.583 20 0 FCADHL CCS[C@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(C)C ZINC001590851790 1283928603 /nfs/dbraw/zinc/92/86/03/1283928603.db2.gz QPRXAOBLSZHBHW-NSHDSACASA-N -2 3 370.460 0.844 20 0 FCADHL CCS[C@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(C)C ZINC001590851790 1283928608 /nfs/dbraw/zinc/92/86/08/1283928608.db2.gz QPRXAOBLSZHBHW-NSHDSACASA-N -2 3 370.460 0.844 20 0 FCADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)o1 ZINC001590882015 1283948007 /nfs/dbraw/zinc/94/80/07/1283948007.db2.gz TWVWCJCGCAQMEY-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)o1 ZINC001590882015 1283948013 /nfs/dbraw/zinc/94/80/13/1283948013.db2.gz TWVWCJCGCAQMEY-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL CCc1nnc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c(-c2nnn[n-]2)c1CC ZINC001590931378 1283985007 /nfs/dbraw/zinc/98/50/07/1283985007.db2.gz RZHZWPPMFJVOTF-SECBINFHSA-N -2 3 370.421 0.989 20 0 FCADHL CCc1nnc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c(-c2nn[n-]n2)c1CC ZINC001590931378 1283985009 /nfs/dbraw/zinc/98/50/09/1283985009.db2.gz RZHZWPPMFJVOTF-SECBINFHSA-N -2 3 370.421 0.989 20 0 FCADHL CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001591005282 1284066580 /nfs/dbraw/zinc/06/65/80/1284066580.db2.gz KEXXQDSVTXLQJY-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001591005282 1284066585 /nfs/dbraw/zinc/06/65/85/1284066585.db2.gz KEXXQDSVTXLQJY-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1sccc1OC ZINC001604617948 1287692271 /nfs/dbraw/zinc/69/22/71/1287692271.db2.gz LVLRKJLJIIZDNO-UHFFFAOYSA-N -2 3 355.405 0.954 20 0 FCADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC ZINC001591226455 1284365090 /nfs/dbraw/zinc/36/50/90/1284365090.db2.gz DJIQQWVSVMKPAJ-UHFFFAOYSA-N -2 3 369.403 0.816 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001591296942 1284451319 /nfs/dbraw/zinc/45/13/19/1284451319.db2.gz VYBSEXGUHSTRTI-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1cccc(-c2nnn[n-]2)c1 ZINC001604661424 1287716046 /nfs/dbraw/zinc/71/60/46/1287716046.db2.gz BGQKQEXODKFOQL-UHFFFAOYSA-N -2 3 364.325 0.893 20 0 FCADHL CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1cccc(-c2nn[n-]n2)c1 ZINC001604661424 1287716056 /nfs/dbraw/zinc/71/60/56/1287716056.db2.gz BGQKQEXODKFOQL-UHFFFAOYSA-N -2 3 364.325 0.893 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCC1 ZINC001591385590 1284527497 /nfs/dbraw/zinc/52/74/97/1284527497.db2.gz HRODTRAYGSCJEJ-UHFFFAOYSA-N -2 3 365.415 0.797 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCC1 ZINC001591385590 1284527504 /nfs/dbraw/zinc/52/75/04/1284527504.db2.gz HRODTRAYGSCJEJ-UHFFFAOYSA-N -2 3 365.415 0.797 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)C(=O)[N-]OCC(F)(F)F ZINC001591490752 1284668775 /nfs/dbraw/zinc/66/87/75/1284668775.db2.gz YKZPHMBLMMKIGR-UHFFFAOYSA-N -2 3 360.252 0.424 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)C(=O)[N-]OCC(F)(F)F ZINC001591490752 1284668788 /nfs/dbraw/zinc/66/87/88/1284668788.db2.gz YKZPHMBLMMKIGR-UHFFFAOYSA-N -2 3 360.252 0.424 20 0 FCADHL COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001591522021 1284710216 /nfs/dbraw/zinc/71/02/16/1284710216.db2.gz HHFSQGANAXPLNV-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001591522021 1284710221 /nfs/dbraw/zinc/71/02/21/1284710221.db2.gz HHFSQGANAXPLNV-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)CC2CCC2)cc(-c2nnn[n-]2)c1 ZINC001604697766 1287739650 /nfs/dbraw/zinc/73/96/50/1287739650.db2.gz HKXGBKKVSAOCFY-UHFFFAOYSA-N -2 3 364.431 0.792 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)CC2CCC2)cc(-c2nn[n-]n2)c1 ZINC001604697766 1287739660 /nfs/dbraw/zinc/73/96/60/1287739660.db2.gz HKXGBKKVSAOCFY-UHFFFAOYSA-N -2 3 364.431 0.792 20 0 FCADHL CSCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)[O-] ZINC001591700382 1284838548 /nfs/dbraw/zinc/83/85/48/1284838548.db2.gz ORMOWVGVKKKXEH-LURJTMIESA-N -2 3 363.446 0.413 20 0 FCADHL CSc1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc1-c1nnn[n-]1 ZINC001591709901 1284849027 /nfs/dbraw/zinc/84/90/27/1284849027.db2.gz GGJPYGCTHWPXDC-WDEREUQCSA-N -2 3 363.399 0.837 20 0 FCADHL CSc1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc1-c1nn[n-]n1 ZINC001591709901 1284849040 /nfs/dbraw/zinc/84/90/40/1284849040.db2.gz GGJPYGCTHWPXDC-WDEREUQCSA-N -2 3 363.399 0.837 20 0 FCADHL Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001591786268 1284901665 /nfs/dbraw/zinc/90/16/65/1284901665.db2.gz ZXBUZXWRPJWWKS-UHFFFAOYSA-N -2 3 352.318 0.437 20 0 FCADHL Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001591786268 1284901670 /nfs/dbraw/zinc/90/16/70/1284901670.db2.gz ZXBUZXWRPJWWKS-UHFFFAOYSA-N -2 3 352.318 0.437 20 0 FCADHL Cc1c(Cl)cnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001591821134 1284925847 /nfs/dbraw/zinc/92/58/47/1284925847.db2.gz JMMDVKCVJBHXOA-XLKFXECMSA-N -2 3 350.766 0.761 20 0 FCADHL Cc1c(Cl)cnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001591821134 1284925853 /nfs/dbraw/zinc/92/58/53/1284925853.db2.gz JMMDVKCVJBHXOA-XLKFXECMSA-N -2 3 350.766 0.761 20 0 FCADHL Cc1c(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)cccc1-c1nnn[n-]1 ZINC001591828933 1284931705 /nfs/dbraw/zinc/93/17/05/1284931705.db2.gz IICOCEUOZXAVOE-UHFFFAOYSA-N -2 3 362.357 0.816 20 0 FCADHL Cc1c(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)cccc1-c1nn[n-]n1 ZINC001591828933 1284931714 /nfs/dbraw/zinc/93/17/14/1284931714.db2.gz IICOCEUOZXAVOE-UHFFFAOYSA-N -2 3 362.357 0.816 20 0 FCADHL Cc1c(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cccc1-c1nnn[n-]1 ZINC001591824832 1284931888 /nfs/dbraw/zinc/93/18/88/1284931888.db2.gz ZOFZLBVLTKWCCB-LBPRGKRZSA-N -2 3 360.374 0.729 20 0 FCADHL Cc1c(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cccc1-c1nn[n-]n1 ZINC001591824832 1284931893 /nfs/dbraw/zinc/93/18/93/1284931893.db2.gz ZOFZLBVLTKWCCB-LBPRGKRZSA-N -2 3 360.374 0.729 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001591870175 1284956945 /nfs/dbraw/zinc/95/69/45/1284956945.db2.gz HBBUPCLDLURIKZ-NSHDSACASA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001591870175 1284956952 /nfs/dbraw/zinc/95/69/52/1284956952.db2.gz HBBUPCLDLURIKZ-NSHDSACASA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC001591875736 1284965237 /nfs/dbraw/zinc/96/52/37/1284965237.db2.gz LVTMBLIKEYIZOT-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC001591875736 1284965242 /nfs/dbraw/zinc/96/52/42/1284965242.db2.gz LVTMBLIKEYIZOT-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)ccc1C(N)=O ZINC001592053888 1285097162 /nfs/dbraw/zinc/09/71/62/1285097162.db2.gz DCDZZIXRBARDQL-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)ccc1C(N)=O ZINC001592053888 1285097169 /nfs/dbraw/zinc/09/71/69/1285097169.db2.gz DCDZZIXRBARDQL-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)ccc1-c1nnn[n-]1 ZINC001592065438 1285104674 /nfs/dbraw/zinc/10/46/74/1285104674.db2.gz JNKWGJKXWFRKKJ-LBPRGKRZSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)ccc1-c1nn[n-]n1 ZINC001592065438 1285104680 /nfs/dbraw/zinc/10/46/80/1285104680.db2.gz JNKWGJKXWFRKKJ-LBPRGKRZSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001592109514 1285143669 /nfs/dbraw/zinc/14/36/69/1285143669.db2.gz PFJDBMCOVVXDGX-LLVKDONJSA-N -3 3 365.371 0.091 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001592109514 1285143673 /nfs/dbraw/zinc/14/36/73/1285143673.db2.gz PFJDBMCOVVXDGX-LLVKDONJSA-N -3 3 365.371 0.091 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC001592108884 1285144223 /nfs/dbraw/zinc/14/42/23/1285144223.db2.gz HSAGKGBLJGPFSB-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC001592108884 1285144226 /nfs/dbraw/zinc/14/42/26/1285144226.db2.gz HSAGKGBLJGPFSB-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC001592109646 1285145993 /nfs/dbraw/zinc/14/59/93/1285145993.db2.gz VRISPWLYOHARRL-JBLDHEPKSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC001592109646 1285146005 /nfs/dbraw/zinc/14/60/05/1285146005.db2.gz VRISPWLYOHARRL-JBLDHEPKSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC001592111178 1285148182 /nfs/dbraw/zinc/14/81/82/1285148182.db2.gz WGVZLHGSUCAAGG-UHFFFAOYSA-N -2 3 373.398 0.437 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC001592111178 1285148187 /nfs/dbraw/zinc/14/81/87/1285148187.db2.gz WGVZLHGSUCAAGG-UHFFFAOYSA-N -2 3 373.398 0.437 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC001592128064 1285155751 /nfs/dbraw/zinc/15/57/51/1285155751.db2.gz HGYNRSMLUKZOFC-NSHDSACASA-N -2 3 365.415 0.661 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC001592128064 1285155754 /nfs/dbraw/zinc/15/57/54/1285155754.db2.gz HGYNRSMLUKZOFC-NSHDSACASA-N -2 3 365.415 0.661 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001592215056 1285187284 /nfs/dbraw/zinc/18/72/84/1285187284.db2.gz YWXPNHVNQSKRNC-ONGXEEELSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001592215056 1285187288 /nfs/dbraw/zinc/18/72/88/1285187288.db2.gz YWXPNHVNQSKRNC-ONGXEEELSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1nc(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cs1 ZINC001592360112 1285276982 /nfs/dbraw/zinc/27/69/82/1285276982.db2.gz VMWHZIZUAWNAKJ-UHFFFAOYSA-N -2 3 365.400 0.074 20 0 FCADHL Cc1nc(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cs1 ZINC001592360112 1285276988 /nfs/dbraw/zinc/27/69/88/1285276988.db2.gz VMWHZIZUAWNAKJ-UHFFFAOYSA-N -2 3 365.400 0.074 20 0 FCADHL Cc1nc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592376866 1285289381 /nfs/dbraw/zinc/28/93/81/1285289381.db2.gz JPPMHSYZHGOZQG-JTQLQIEISA-N -2 3 361.362 0.124 20 0 FCADHL Cc1nc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592376866 1285289389 /nfs/dbraw/zinc/28/93/89/1285289389.db2.gz JPPMHSYZHGOZQG-JTQLQIEISA-N -2 3 361.362 0.124 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592414081 1285336355 /nfs/dbraw/zinc/33/63/55/1285336355.db2.gz ZNPVOKRNLFHWRY-PELKAZGASA-N -2 3 366.403 0.444 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592414081 1285336360 /nfs/dbraw/zinc/33/63/60/1285336360.db2.gz ZNPVOKRNLFHWRY-PELKAZGASA-N -2 3 366.403 0.444 20 0 FCADHL Cc1nn(C)c(N2CCN(c3ncccc3C(=O)[O-])CC2)c1-c1nnn[n-]1 ZINC001592443275 1285379632 /nfs/dbraw/zinc/37/96/32/1285379632.db2.gz WOQHWNLZJNJXNU-UHFFFAOYSA-N -2 3 369.389 0.328 20 0 FCADHL Cc1nn(C)c(N2CCN(c3ncccc3C(=O)[O-])CC2)c1-c1nn[n-]n1 ZINC001592443275 1285379641 /nfs/dbraw/zinc/37/96/41/1285379641.db2.gz WOQHWNLZJNJXNU-UHFFFAOYSA-N -2 3 369.389 0.328 20 0 FCADHL Cc1oc(CNS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1C(=O)[O-] ZINC001592509264 1285435072 /nfs/dbraw/zinc/43/50/72/1285435072.db2.gz WQCOLQSAEULHGH-UHFFFAOYSA-N -2 3 364.343 0.340 20 0 FCADHL Cc1oc(CNS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1C(=O)[O-] ZINC001592509264 1285435081 /nfs/dbraw/zinc/43/50/81/1285435081.db2.gz WQCOLQSAEULHGH-UHFFFAOYSA-N -2 3 364.343 0.340 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C[C@@H]2CCCC(C)(C)O2)n1 ZINC001592560311 1285472482 /nfs/dbraw/zinc/47/24/82/1285472482.db2.gz ZXZRXTRLCZSOIX-VIFPVBQESA-N -2 3 355.424 0.690 20 0 FCADHL NS(=O)(=O)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1 ZINC001592749413 1285671876 /nfs/dbraw/zinc/67/18/76/1285671876.db2.gz CPTYCWTZPLIYPU-UHFFFAOYSA-N -2 3 374.382 0.613 20 0 FCADHL CN(C)C(=O)Cn1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)n1 ZINC001609263946 1289028512 /nfs/dbraw/zinc/02/85/12/1289028512.db2.gz UEUXTMOYDCQPOX-UHFFFAOYSA-N -2 3 356.346 0.109 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)Cc1ccccn1 ZINC001592911232 1285807204 /nfs/dbraw/zinc/80/72/04/1285807204.db2.gz KRBWETVBBDELFX-UHFFFAOYSA-N -2 3 358.383 0.450 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)Cc1ccccn1 ZINC001592911232 1285807209 /nfs/dbraw/zinc/80/72/09/1285807209.db2.gz KRBWETVBBDELFX-UHFFFAOYSA-N -2 3 358.383 0.450 20 0 FCADHL O=C([O-])C1(CNC(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)CCOCC1 ZINC001593017121 1285899927 /nfs/dbraw/zinc/89/99/27/1285899927.db2.gz NBLVPBYSPHYURG-UHFFFAOYSA-N -2 3 372.385 0.773 20 0 FCADHL O=C([O-])C1(CNC(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)CCOCC1 ZINC001593017121 1285899930 /nfs/dbraw/zinc/89/99/30/1285899930.db2.gz NBLVPBYSPHYURG-UHFFFAOYSA-N -2 3 372.385 0.773 20 0 FCADHL O=C([O-])C1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC001593017094 1285900267 /nfs/dbraw/zinc/90/02/67/1285900267.db2.gz LHBVZEJYBXCKKR-UHFFFAOYSA-N -2 3 362.321 0.315 20 0 FCADHL O=C([O-])C1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC001593017094 1285900271 /nfs/dbraw/zinc/90/02/71/1285900271.db2.gz LHBVZEJYBXCKKR-UHFFFAOYSA-N -2 3 362.321 0.315 20 0 FCADHL O=C(NCC1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1)c1ncccc1[O-] ZINC001593024876 1285910023 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O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593279258 1286062204 /nfs/dbraw/zinc/06/22/04/1286062204.db2.gz APZOLWZFZRDAQY-NXEZZACHSA-N -2 3 351.388 0.646 20 0 FCADHL O=C1CCc2ccc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)cc2N1 ZINC001593396953 1286117192 /nfs/dbraw/zinc/11/71/92/1286117192.db2.gz ICVSNZDIFAHZBO-UHFFFAOYSA-N -2 3 371.382 0.947 20 0 FCADHL O=C1CCc2ccc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)cc2N1 ZINC001593396953 1286117194 /nfs/dbraw/zinc/11/71/94/1286117194.db2.gz ICVSNZDIFAHZBO-UHFFFAOYSA-N -2 3 371.382 0.947 20 0 FCADHL O=C1COc2c([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)cccc2N1 ZINC001593400803 1286121762 /nfs/dbraw/zinc/12/17/62/1286121762.db2.gz SYPLZLVRMFBTCL-UHFFFAOYSA-N -2 3 372.366 0.998 20 0 FCADHL O=C1COc2c([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cccc2N1 ZINC001593400803 1286121765 /nfs/dbraw/zinc/12/17/65/1286121765.db2.gz SYPLZLVRMFBTCL-UHFFFAOYSA-N -2 3 372.366 0.998 20 0 FCADHL O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001593429366 1286150237 /nfs/dbraw/zinc/15/02/37/1286150237.db2.gz WLMCMROAFCTVRX-UHFFFAOYSA-N -2 3 374.423 0.602 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCN(CC(=O)Nc3cccc(C(=O)[O-])n3)CC2)n1 ZINC001600064765 1286434836 /nfs/dbraw/zinc/43/48/36/1286434836.db2.gz DAMGXFNRCACRQC-UHFFFAOYSA-N -2 3 372.385 0.345 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)C2)n1 ZINC001600064319 1286435063 /nfs/dbraw/zinc/43/50/63/1286435063.db2.gz LQINQFSYSRFBGI-RWMBFGLXSA-N -2 3 364.402 0.598 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NS(=O)(=O)CCCC(=O)[O-])C2)n1 ZINC001600065043 1286435159 /nfs/dbraw/zinc/43/51/59/1286435159.db2.gz OFICIRXHDJQCOG-LLVKDONJSA-N -2 3 358.420 0.244 20 0 FCADHL Cc1coc(CC(=O)[O-])c1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001600065165 1286435550 /nfs/dbraw/zinc/43/55/50/1286435550.db2.gz SKEYYEVEUMPZNJ-UHFFFAOYSA-N -2 3 360.370 0.982 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Cc2ccccn2)C(=O)[O-])oc1C(=O)[O-] ZINC001600299720 1286472438 /nfs/dbraw/zinc/47/24/38/1286472438.db2.gz SCGYNQUVDFVSEU-JTQLQIEISA-N -3 3 368.367 0.903 20 0 FCADHL Cc1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1C(=O)[O-] ZINC001600480092 1286495198 /nfs/dbraw/zinc/49/51/98/1286495198.db2.gz PBMBXQWEPBFPIJ-UHFFFAOYSA-N -2 3 356.400 0.521 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1C(=O)[O-] ZINC001600673462 1286524791 /nfs/dbraw/zinc/52/47/91/1286524791.db2.gz QVTUXCGCWYMPGD-MLGOLLRUSA-N -2 3 365.411 0.861 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CN(c3ccccc3)C2=O)c1C(=O)[O-] ZINC001600673369 1286525387 /nfs/dbraw/zinc/52/53/87/1286525387.db2.gz OYSHBVOGPPXHFG-SNVBAGLBSA-N -2 3 350.356 0.110 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2ccc3c(c2)C(=O)NCC3)c1C(=O)[O-] ZINC001600673274 1286525437 /nfs/dbraw/zinc/52/54/37/1286525437.db2.gz DRXMMNAKNWXXSA-UHFFFAOYSA-N -2 3 364.383 0.181 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCCOCC2CCOCC2)c1C(=O)[O-] ZINC001600674760 1286526227 /nfs/dbraw/zinc/52/62/27/1286526227.db2.gz VZHMVJAUOSIUPR-UHFFFAOYSA-N -2 3 361.420 0.528 20 0 FCADHL Cc1nc(C)c(CCC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(=O)[n-]1 ZINC001600691394 1286527417 /nfs/dbraw/zinc/52/74/17/1286527417.db2.gz HRPDUKWFAXEYDV-LLVKDONJSA-N -2 3 360.374 0.495 20 0 FCADHL Cn1c(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])nc2c1cccc2F ZINC001600913246 1286568630 /nfs/dbraw/zinc/56/86/30/1286568630.db2.gz OTPJWDSEBMXKHH-UHFFFAOYSA-N -2 3 367.362 0.655 20 0 FCADHL Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC001600938921 1286575232 /nfs/dbraw/zinc/57/52/32/1286575232.db2.gz MRQDMAAWKMWEJC-LLVKDONJSA-N -2 3 359.791 0.784 20 0 FCADHL Cn1cnnc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001600994361 1286591476 /nfs/dbraw/zinc/59/14/76/1286591476.db2.gz GHJXSMMMKZIVJF-VIFPVBQESA-N -2 3 360.779 0.179 20 0 FCADHL Cn1nc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1C(=O)[O-] ZINC001601014259 1286598640 /nfs/dbraw/zinc/59/86/40/1286598640.db2.gz RTIGFVAVZGHAEH-UHFFFAOYSA-N -2 3 373.369 0.814 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609317217 1289089666 /nfs/dbraw/zinc/08/96/66/1289089666.db2.gz DGCLCYAAEDIVNR-SSDOTTSWSA-N -2 3 359.795 0.615 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609317217 1289089672 /nfs/dbraw/zinc/08/96/72/1289089672.db2.gz DGCLCYAAEDIVNR-SSDOTTSWSA-N -2 3 359.795 0.615 20 0 FCADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])c1ccccn1 ZINC001601139980 1286646857 /nfs/dbraw/zinc/64/68/57/1286646857.db2.gz PJRYCIVARLYQFM-LBPRGKRZSA-N -2 3 369.786 0.938 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCNC(=O)Cc1cccc(F)c1 ZINC001601365187 1286735138 /nfs/dbraw/zinc/73/51/38/1286735138.db2.gz LHCNCCWBCXBKMT-UHFFFAOYSA-N -2 3 370.358 0.754 20 0 FCADHL O=C([O-])c1cccn(CC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1=O ZINC001601387424 1286738373 /nfs/dbraw/zinc/73/83/73/1286738373.db2.gz GNUJCTRAEQIARJ-HAQNSBGRSA-N -2 3 372.381 0.885 20 0 FCADHL O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001601871363 1286860307 /nfs/dbraw/zinc/86/03/07/1286860307.db2.gz KOLDLOIIKHTMQW-AWEZNQCLSA-N -2 3 366.337 0.922 20 0 FCADHL O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001601871363 1286860322 /nfs/dbraw/zinc/86/03/22/1286860322.db2.gz KOLDLOIIKHTMQW-AWEZNQCLSA-N -2 3 366.337 0.922 20 0 FCADHL O=C([O-])CC1(CS(=O)(=O)[N-][C@@H]2CN(c3ccc(F)cc3)C2=O)CC1 ZINC001601921466 1286870798 /nfs/dbraw/zinc/87/07/98/1286870798.db2.gz FJBVJBPUPBMSCI-GFCCVEGCSA-N -2 3 356.375 0.715 20 0 FCADHL O=C([O-])CNC(=O)c1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001602073873 1286927070 /nfs/dbraw/zinc/92/70/70/1286927070.db2.gz IIWUBRQCCYRXHO-NSHDSACASA-N -2 3 361.358 0.135 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001609351984 1289115890 /nfs/dbraw/zinc/11/58/90/1289115890.db2.gz WPQPICGZLXHENN-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001609351984 1289115895 /nfs/dbraw/zinc/11/58/95/1289115895.db2.gz WPQPICGZLXHENN-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2O)c1F ZINC001602264384 1286977130 /nfs/dbraw/zinc/97/71/30/1286977130.db2.gz JRQNGAJTMGEMHX-RKDXNWHRSA-N -2 3 353.755 0.605 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c(F)cc1Cl ZINC001602295004 1286987155 /nfs/dbraw/zinc/98/71/55/1286987155.db2.gz CZKWDLMNZITVIX-UHFFFAOYSA-N -3 3 365.726 0.375 20 0 FCADHL O=C([O-])c1ccc(=O)n(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC001602313661 1286988466 /nfs/dbraw/zinc/98/84/66/1286988466.db2.gz ZYXVKKXJIKDYKN-UHFFFAOYSA-N -2 3 362.308 0.290 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001609358445 1289117993 /nfs/dbraw/zinc/11/79/93/1289117993.db2.gz ADQDFTYGCBAAPK-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001609358445 1289117997 /nfs/dbraw/zinc/11/79/97/1289117997.db2.gz ADQDFTYGCBAAPK-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC001602506640 1287017413 /nfs/dbraw/zinc/01/74/13/1287017413.db2.gz ISTRRKLEZOWFHV-CPCISQLKSA-N -2 3 371.337 0.870 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1 ZINC001602559517 1287026216 /nfs/dbraw/zinc/02/62/16/1287026216.db2.gz XVEIEVLYLTVEKC-MFKMUULPSA-N -2 3 354.340 0.887 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCCN2CCSC[C@H]12 ZINC001602589170 1287033539 /nfs/dbraw/zinc/03/35/39/1287033539.db2.gz XNKUSWUXBJGRLP-DTWKUNHWSA-N -2 3 363.486 0.699 20 0 FCADHL CC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001602914094 1287157461 /nfs/dbraw/zinc/15/74/61/1287157461.db2.gz CRQKXTNFLJPXBL-SECBINFHSA-N -2 3 373.778 0.231 20 0 FCADHL CC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001602914094 1287157458 /nfs/dbraw/zinc/15/74/58/1287157458.db2.gz CRQKXTNFLJPXBL-SECBINFHSA-N -2 3 373.778 0.231 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cccc1-c1nnn[n-]1 ZINC001609384384 1289131544 /nfs/dbraw/zinc/13/15/44/1289131544.db2.gz LILDEXUMJCZQAM-BXKDBHETSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cccc1-c1nn[n-]n1 ZINC001609384384 1289131552 /nfs/dbraw/zinc/13/15/52/1289131552.db2.gz LILDEXUMJCZQAM-BXKDBHETSA-N -2 3 372.385 0.683 20 0 FCADHL COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001604972067 1287826054 /nfs/dbraw/zinc/82/60/54/1287826054.db2.gz JCQSUOLBBFKYFW-UHFFFAOYSA-N -2 3 374.382 0.990 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001605068349 1287865017 /nfs/dbraw/zinc/86/50/17/1287865017.db2.gz WCUMQPBZAYHTPB-SREVYHEPSA-N -2 3 363.399 0.505 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001605068349 1287865022 /nfs/dbraw/zinc/86/50/22/1287865022.db2.gz WCUMQPBZAYHTPB-SREVYHEPSA-N -2 3 363.399 0.505 20 0 FCADHL COCCCCS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001605087406 1287874543 /nfs/dbraw/zinc/87/45/43/1287874543.db2.gz LVVDFCJZTLPUIB-UHFFFAOYSA-N -2 3 367.431 0.672 20 0 FCADHL COCCCCS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001605087406 1287874545 /nfs/dbraw/zinc/87/45/45/1287874545.db2.gz LVVDFCJZTLPUIB-UHFFFAOYSA-N -2 3 367.431 0.672 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC001605196491 1287909883 /nfs/dbraw/zinc/90/98/83/1287909883.db2.gz FRZMOXFRLPKSOK-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC001605196491 1287909889 /nfs/dbraw/zinc/90/98/89/1287909889.db2.gz FRZMOXFRLPKSOK-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)[N-]O[C@@H]1CCCCO1 ZINC001605246730 1287914850 /nfs/dbraw/zinc/91/48/50/1287914850.db2.gz OLSUNCPOXJWSEW-GFCCVEGCSA-N -2 3 362.346 0.388 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]O[C@@H]1CCCCO1 ZINC001605246730 1287914858 /nfs/dbraw/zinc/91/48/58/1287914858.db2.gz OLSUNCPOXJWSEW-GFCCVEGCSA-N -2 3 362.346 0.388 20 0 FCADHL COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1-c1nnn[n-]1 ZINC001605279498 1287920823 /nfs/dbraw/zinc/92/08/23/1287920823.db2.gz DMZJIAJRLGSBLW-WDEREUQCSA-N -2 3 360.374 0.928 20 0 FCADHL COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001605279498 1287920828 /nfs/dbraw/zinc/92/08/28/1287920828.db2.gz DMZJIAJRLGSBLW-WDEREUQCSA-N -2 3 360.374 0.928 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC001609416908 1289143683 /nfs/dbraw/zinc/14/36/83/1289143683.db2.gz VISUUVSAERHPSQ-VIFPVBQESA-N -2 3 355.401 0.323 20 0 FCADHL Cc1c(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)nn1C ZINC001605468141 1287973722 /nfs/dbraw/zinc/97/37/22/1287973722.db2.gz JZKZXWMSYJKRLV-UHFFFAOYSA-N -2 3 361.387 0.740 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cccc1-c1nnn[n-]1 ZINC001605493875 1287981639 /nfs/dbraw/zinc/98/16/39/1287981639.db2.gz SORJFMNOICPBFZ-MRXNPFEDSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cccc1-c1nn[n-]n1 ZINC001605493875 1287981647 /nfs/dbraw/zinc/98/16/47/1287981647.db2.gz SORJFMNOICPBFZ-MRXNPFEDSA-N -2 3 358.358 0.437 20 0 FCADHL CCOC(=O)[C@H](CC=C(C)C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001605508807 1287985864 /nfs/dbraw/zinc/98/58/64/1287985864.db2.gz NFAJHKLCDMAPKR-JTQLQIEISA-N -2 3 359.404 0.983 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC001605551336 1287998328 /nfs/dbraw/zinc/99/83/28/1287998328.db2.gz ATXQFOIMAPZHSP-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC001605551336 1287998330 /nfs/dbraw/zinc/99/83/30/1287998330.db2.gz ATXQFOIMAPZHSP-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cn(-c2ccc(-c3nnn[n-]3)cn2)nc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC001609440197 1289152346 /nfs/dbraw/zinc/15/23/46/1289152346.db2.gz FMOFDQAROWHYCH-UHFFFAOYSA-N -2 3 372.374 0.280 20 0 FCADHL Cc1cn(-c2ccc(-c3nn[n-]n3)cn2)nc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC001609440197 1289152349 /nfs/dbraw/zinc/15/23/49/1289152349.db2.gz FMOFDQAROWHYCH-UHFFFAOYSA-N -2 3 372.374 0.280 20 0 FCADHL Cc1cc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001605751483 1288071367 /nfs/dbraw/zinc/07/13/67/1288071367.db2.gz SARRXTMLBNHMDN-AOOOYVTPSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001605751483 1288071374 /nfs/dbraw/zinc/07/13/74/1288071374.db2.gz SARRXTMLBNHMDN-AOOOYVTPSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CC(=O)[O-])CC(C)C ZINC001605801988 1288089560 /nfs/dbraw/zinc/08/95/60/1288089560.db2.gz PLDYNQHECYGQEU-UHFFFAOYSA-N -2 3 353.404 0.906 20 0 FCADHL CN(C)C(=O)OCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001606002604 1288127003 /nfs/dbraw/zinc/12/70/03/1288127003.db2.gz LVWDYDVCLCFVEU-UHFFFAOYSA-N -2 3 352.315 0.640 20 0 FCADHL CN(C)c1nccc(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)n1 ZINC001606068975 1288153107 /nfs/dbraw/zinc/15/31/07/1288153107.db2.gz MKQRYFFWLUEZQH-UHFFFAOYSA-N -2 3 372.353 0.998 20 0 FCADHL Cc1ncc(S(=O)(=O)NCc2cccc(C(=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001609456355 1289161442 /nfs/dbraw/zinc/16/14/42/1289161442.db2.gz MPOPAMCCIKIRNR-UHFFFAOYSA-N -2 3 374.382 0.747 20 0 FCADHL Cc1ncc(S(=O)(=O)NCc2cccc(C(=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001609456355 1289161444 /nfs/dbraw/zinc/16/14/44/1289161444.db2.gz MPOPAMCCIKIRNR-UHFFFAOYSA-N -2 3 374.382 0.747 20 0 FCADHL CN1CCC[C@@H](NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC001606221193 1288213490 /nfs/dbraw/zinc/21/34/90/1288213490.db2.gz CXFUZOTYMJTYDW-CYBMUJFWSA-N -2 3 358.398 0.617 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609463346 1289164648 /nfs/dbraw/zinc/16/46/48/1289164648.db2.gz USGUQKMNPBWPQE-BQYQJAHWSA-N -2 3 374.382 0.990 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609463346 1289164654 /nfs/dbraw/zinc/16/46/54/1289164654.db2.gz USGUQKMNPBWPQE-BQYQJAHWSA-N -2 3 374.382 0.990 20 0 FCADHL Cn1nncc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001606286722 1288255842 /nfs/dbraw/zinc/25/58/42/1288255842.db2.gz WNZQDJKOXJYVET-UHFFFAOYSA-N -2 3 374.308 0.815 20 0 FCADHL Cn1nncc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001606286722 1288255847 /nfs/dbraw/zinc/25/58/47/1288255847.db2.gz WNZQDJKOXJYVET-UHFFFAOYSA-N -2 3 374.308 0.815 20 0 FCADHL COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC001606501890 1288344920 /nfs/dbraw/zinc/34/49/20/1288344920.db2.gz SLESHTUGVLSBTO-SNVBAGLBSA-N -2 3 363.319 0.370 20 0 FCADHL O=C(CSc1nnnn1C1CC1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001606588076 1288397771 /nfs/dbraw/zinc/39/77/71/1288397771.db2.gz JPGPFFXXRUTMLO-UHFFFAOYSA-N -2 3 359.375 0.390 20 0 FCADHL O=C(CSc1nnnn1C1CC1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001606588076 1288397777 /nfs/dbraw/zinc/39/77/77/1288397777.db2.gz JPGPFFXXRUTMLO-UHFFFAOYSA-N -2 3 359.375 0.390 20 0 FCADHL O=C(NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1)c1ncccc1[O-] ZINC001606697728 1288452346 /nfs/dbraw/zinc/45/23/46/1288452346.db2.gz BXEAFJDWPOTCRD-LBPRGKRZSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CC1)c1ccccc1[O-] ZINC001606701337 1288453789 /nfs/dbraw/zinc/45/37/89/1288453789.db2.gz FZTYKIVXTPXHPP-GFCCVEGCSA-N -2 3 366.385 0.405 20 0 FCADHL COC1(C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C(=O)[O-])CCC1 ZINC001606714754 1288463694 /nfs/dbraw/zinc/46/36/94/1288463694.db2.gz QUFSCXCWNXPDMF-SNVBAGLBSA-N -3 3 361.372 0.977 20 0 FCADHL COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001606785978 1288516464 /nfs/dbraw/zinc/51/64/64/1288516464.db2.gz DTSFSQZZLCBAMD-LLVKDONJSA-N -2 3 352.390 0.088 20 0 FCADHL O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)c1ncccc1[O-] ZINC001606809967 1288527854 /nfs/dbraw/zinc/52/78/54/1288527854.db2.gz AMIVRLRTUJFHGE-KLPPZKSPSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)c1ncccc1[O-] ZINC001606809967 1288527859 /nfs/dbraw/zinc/52/78/59/1288527859.db2.gz AMIVRLRTUJFHGE-KLPPZKSPSA-N -2 3 366.385 0.983 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)OC ZINC001606815961 1288530806 /nfs/dbraw/zinc/53/08/06/1288530806.db2.gz GISZCKICIKWKRB-SECBINFHSA-N -2 3 369.754 0.644 20 0 FCADHL COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001606901131 1288555753 /nfs/dbraw/zinc/55/57/53/1288555753.db2.gz RQEXSVDTIWBDBE-MNOVXSKESA-N -2 3 363.388 0.385 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606959243 1288575312 /nfs/dbraw/zinc/57/53/12/1288575312.db2.gz JUPVWAVZCCGXCV-RNSXUZJQSA-N -2 3 369.428 0.802 20 0 FCADHL O=C([O-])[C@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCOC1 ZINC001606959708 1288575636 /nfs/dbraw/zinc/57/56/36/1288575636.db2.gz LTGSVSMTTACOOH-LBPRGKRZSA-N -2 3 373.778 0.042 20 0 FCADHL O=C([O-])[C@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCOC1 ZINC001606959708 1288575640 /nfs/dbraw/zinc/57/56/40/1288575640.db2.gz LTGSVSMTTACOOH-LBPRGKRZSA-N -2 3 373.778 0.042 20 0 FCADHL O=C([O-])C[C@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC001606961489 1288576581 /nfs/dbraw/zinc/57/65/81/1288576581.db2.gz SKBFBHXLIRUYNK-LBPRGKRZSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])C[C@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C1CC1 ZINC001606961489 1288576582 /nfs/dbraw/zinc/57/65/82/1288576582.db2.gz SKBFBHXLIRUYNK-LBPRGKRZSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001606960379 1288576731 /nfs/dbraw/zinc/57/67/31/1288576731.db2.gz RFBYZVGJPLNKIP-NSHDSACASA-N -2 3 357.374 0.164 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001606960379 1288576733 /nfs/dbraw/zinc/57/67/33/1288576733.db2.gz RFBYZVGJPLNKIP-NSHDSACASA-N -2 3 357.374 0.164 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1(F)F ZINC001606961448 1288576787 /nfs/dbraw/zinc/57/67/87/1288576787.db2.gz RQAKQZMXZJKKGY-SECBINFHSA-N -2 3 373.341 0.597 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1(F)F ZINC001606961448 1288576789 /nfs/dbraw/zinc/57/67/89/1288576789.db2.gz RQAKQZMXZJKKGY-SECBINFHSA-N -2 3 373.341 0.597 20 0 FCADHL O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001607014172 1288591253 /nfs/dbraw/zinc/59/12/53/1288591253.db2.gz PIEPHVQQGUZNFP-SECBINFHSA-N -2 3 359.375 0.016 20 0 FCADHL O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001607014172 1288591258 /nfs/dbraw/zinc/59/12/58/1288591258.db2.gz PIEPHVQQGUZNFP-SECBINFHSA-N -2 3 359.375 0.016 20 0 FCADHL O=S(=O)([N-][C@@H](CCO)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC001607063812 1288635836 /nfs/dbraw/zinc/63/58/36/1288635836.db2.gz QIMSRCPCELMDRX-VIFPVBQESA-N -2 3 369.300 0.597 20 0 FCADHL O=c1cc(CN2CCO[C@H](C(F)(F)F)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607111483 1288667864 /nfs/dbraw/zinc/66/78/64/1288667864.db2.gz UFKSQJCWIMVBFJ-VIFPVBQESA-N -2 3 370.295 0.378 20 0 FCADHL Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1C ZINC001607773383 1288738170 /nfs/dbraw/zinc/73/81/70/1288738170.db2.gz LGGVKBVCDWMPIR-GFCCVEGCSA-N -2 3 353.400 0.607 20 0 FCADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001607907767 1288745384 /nfs/dbraw/zinc/74/53/84/1288745384.db2.gz MVNVLTFULWAMIB-SECBINFHSA-N -2 3 364.807 0.928 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@@H]2C)c1C(=O)[O-] ZINC001607939327 1288749362 /nfs/dbraw/zinc/74/93/62/1288749362.db2.gz BNTJDUDDILTERN-WCBMZHEXSA-N -2 3 358.420 0.484 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)CO2)c1C(=O)[O-] ZINC001607939358 1288749636 /nfs/dbraw/zinc/74/96/36/1288749636.db2.gz BZSUGXSIJVTBKI-LLVKDONJSA-N -2 3 373.431 0.670 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2ccnc(-c3ccccn3)n2)c1C(=O)[O-] ZINC001607938762 1288750187 /nfs/dbraw/zinc/75/01/87/1288750187.db2.gz XMGJRISLQNNYEH-UHFFFAOYSA-N -2 3 374.382 0.747 20 0 FCADHL Cc1nc(C)c(CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)[n-]1 ZINC001607947280 1288750728 /nfs/dbraw/zinc/75/07/28/1288750728.db2.gz HDGCHJZNFOEGDT-LBPRGKRZSA-N -2 3 352.391 0.073 20 0 FCADHL Cn1ncc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C2CC2)c1Br ZINC001608159815 1288784299 /nfs/dbraw/zinc/78/42/99/1288784299.db2.gz WPEBNPILWUHKLP-MRVPVSSYSA-N -2 3 366.237 0.962 20 0 FCADHL Cn1nccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC001608162771 1288784382 /nfs/dbraw/zinc/78/43/82/1288784382.db2.gz MCISXVYMDCIFCY-LDYMZIIASA-N -2 3 355.376 0.040 20 0 FCADHL O=C([O-])CC1(COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)CC1 ZINC001608680917 1288863285 /nfs/dbraw/zinc/86/32/85/1288863285.db2.gz YGFRXNZISBHOSM-UHFFFAOYSA-N -2 3 363.413 0.430 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001609071874 1288904590 /nfs/dbraw/zinc/90/45/90/1288904590.db2.gz TXHIOWNWTMUSNS-QMMMGPOBSA-N -2 3 369.378 0.488 20 0 FCADHL CC(C)C[C@H](CNS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001609093188 1288914919 /nfs/dbraw/zinc/91/49/19/1288914919.db2.gz SHCYCWKCARVRDA-SNVBAGLBSA-N -2 3 354.392 0.287 20 0 FCADHL CC(C)C[C@H](CNS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001609093188 1288914926 /nfs/dbraw/zinc/91/49/26/1288914926.db2.gz SHCYCWKCARVRDA-SNVBAGLBSA-N -2 3 354.392 0.287 20 0 FCADHL CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609106317 1288921988 /nfs/dbraw/zinc/92/19/88/1288921988.db2.gz RMYHPWLPEDUIKQ-UHFFFAOYSA-N -2 3 373.398 0.899 20 0 FCADHL CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609106317 1288921990 /nfs/dbraw/zinc/92/19/90/1288921990.db2.gz RMYHPWLPEDUIKQ-UHFFFAOYSA-N -2 3 373.398 0.899 20 0 FCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]OC1CCC1 ZINC001609125621 1288934604 /nfs/dbraw/zinc/93/46/04/1288934604.db2.gz ISNIGJPFNVUDMX-SECBINFHSA-N -2 3 366.403 0.134 20 0 FCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]OC1CCC1 ZINC001609125621 1288934610 /nfs/dbraw/zinc/93/46/10/1288934610.db2.gz ISNIGJPFNVUDMX-SECBINFHSA-N -2 3 366.403 0.134 20 0 FCADHL C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609132944 1288939612 /nfs/dbraw/zinc/93/96/12/1288939612.db2.gz NDKRTAMKFPDQNC-JTQLQIEISA-N -2 3 365.415 0.628 20 0 FCADHL C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609132944 1288939622 /nfs/dbraw/zinc/93/96/22/1288939622.db2.gz NDKRTAMKFPDQNC-JTQLQIEISA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609135311 1288942068 /nfs/dbraw/zinc/94/20/68/1288942068.db2.gz OZXMYJWOOWISIO-SNVBAGLBSA-N -2 3 374.382 0.534 20 0 FCADHL C[C@@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609135311 1288942070 /nfs/dbraw/zinc/94/20/70/1288942070.db2.gz OZXMYJWOOWISIO-SNVBAGLBSA-N -2 3 374.382 0.534 20 0 FCADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609142531 1288944792 /nfs/dbraw/zinc/94/47/92/1288944792.db2.gz CFPOEQWFHOQISJ-FZMZJTMJSA-N -2 3 366.403 0.574 20 0 FCADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609142531 1288944798 /nfs/dbraw/zinc/94/47/98/1288944798.db2.gz CFPOEQWFHOQISJ-FZMZJTMJSA-N -2 3 366.403 0.574 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001609142463 1288944956 /nfs/dbraw/zinc/94/49/56/1288944956.db2.gz AFKTYYUFUIKAQA-CQSZACIVSA-N -2 3 369.378 0.881 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001609168482 1288960836 /nfs/dbraw/zinc/96/08/36/1288960836.db2.gz CYCXOHKEARGZGL-BXKDBHETSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001609168482 1288960842 /nfs/dbraw/zinc/96/08/42/1288960842.db2.gz CYCXOHKEARGZGL-BXKDBHETSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001609175625 1288968388 /nfs/dbraw/zinc/96/83/88/1288968388.db2.gz VLYMKRNXVZUAOT-PTRXPTGYSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001609175625 1288968396 /nfs/dbraw/zinc/96/83/96/1288968396.db2.gz VLYMKRNXVZUAOT-PTRXPTGYSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001609179136 1288971527 /nfs/dbraw/zinc/97/15/27/1288971527.db2.gz MAOFTTITPALDOA-HZGVNTEJSA-N -2 3 373.391 0.543 20 0 FCADHL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001609179136 1288971528 /nfs/dbraw/zinc/97/15/28/1288971528.db2.gz MAOFTTITPALDOA-HZGVNTEJSA-N -2 3 373.391 0.543 20 0 FCADHL C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609179169 1288973479 /nfs/dbraw/zinc/97/34/79/1288973479.db2.gz MQEYOQKXRRLNGF-KCJUWKMLSA-N -2 3 369.428 0.545 20 0 FCADHL C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609179169 1288973484 /nfs/dbraw/zinc/97/34/84/1288973484.db2.gz MQEYOQKXRRLNGF-KCJUWKMLSA-N -2 3 369.428 0.545 20 0 FCADHL C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609179170 1288973698 /nfs/dbraw/zinc/97/36/98/1288973698.db2.gz MQEYOQKXRRLNGF-KWQFWETISA-N -2 3 369.428 0.545 20 0 FCADHL C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609179170 1288973701 /nfs/dbraw/zinc/97/37/01/1288973701.db2.gz MQEYOQKXRRLNGF-KWQFWETISA-N -2 3 369.428 0.545 20 0 FCADHL CCC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609182946 1288975014 /nfs/dbraw/zinc/97/50/14/1288975014.db2.gz MWLUNGWRNZYGKL-UHFFFAOYSA-N -2 3 354.392 0.272 20 0 FCADHL CCC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609182946 1288975019 /nfs/dbraw/zinc/97/50/19/1288975019.db2.gz MWLUNGWRNZYGKL-UHFFFAOYSA-N -2 3 354.392 0.272 20 0 FCADHL CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001609216460 1288993039 /nfs/dbraw/zinc/99/30/39/1288993039.db2.gz KKBFKDOFSCMRML-UHFFFAOYSA-N -2 3 361.387 0.522 20 0 FCADHL CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001609216460 1288993042 /nfs/dbraw/zinc/99/30/42/1288993042.db2.gz KKBFKDOFSCMRML-UHFFFAOYSA-N -2 3 361.387 0.522 20 0 FCADHL CCOC1CC(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001609237804 1289011540 /nfs/dbraw/zinc/01/15/40/1289011540.db2.gz WFTVHJSPXDAEIW-UHFFFAOYSA-N -2 3 366.403 0.272 20 0 FCADHL CCOC1CC(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001609237804 1289011551 /nfs/dbraw/zinc/01/15/51/1289011551.db2.gz WFTVHJSPXDAEIW-UHFFFAOYSA-N -2 3 366.403 0.272 20 0 FCADHL O=C([O-])[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC001609530498 1289200773 /nfs/dbraw/zinc/20/07/73/1289200773.db2.gz GTYMLBMPKAYWAG-BXUZGUMPSA-N -2 3 361.358 0.242 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc(C2CC2)n[nH]1 ZINC001609560326 1289224460 /nfs/dbraw/zinc/22/44/60/1289224460.db2.gz IKLHBZAXTCLGPE-UHFFFAOYSA-N -2 3 359.371 0.586 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc(C2CC2)n[nH]1 ZINC001609560326 1289224467 /nfs/dbraw/zinc/22/44/67/1289224467.db2.gz IKLHBZAXTCLGPE-UHFFFAOYSA-N -2 3 359.371 0.586 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2cc[nH]c2n1 ZINC001609560454 1289224754 /nfs/dbraw/zinc/22/47/54/1289224754.db2.gz ORKHGLQQVFVXAA-UHFFFAOYSA-N -2 3 369.366 0.862 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2cc[nH]c2n1 ZINC001609560454 1289224761 /nfs/dbraw/zinc/22/47/61/1289224761.db2.gz ORKHGLQQVFVXAA-UHFFFAOYSA-N -2 3 369.366 0.862 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@@H]1CC2CCC1CC2 ZINC001609560636 1289225267 /nfs/dbraw/zinc/22/52/67/1289225267.db2.gz ZNRFAIOQBGARLH-SRHKJQAYSA-N -2 3 362.415 0.893 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@@H]1CC2CCC1CC2 ZINC001609560636 1289225274 /nfs/dbraw/zinc/22/52/74/1289225274.db2.gz ZNRFAIOQBGARLH-SRHKJQAYSA-N -2 3 362.415 0.893 20 0 FCADHL O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001609560641 1289225922 /nfs/dbraw/zinc/22/59/22/1289225922.db2.gz ZRXXHKLMNJAUDJ-UHFFFAOYSA-N -2 3 359.371 0.128 20 0 FCADHL O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001609560641 1289225928 /nfs/dbraw/zinc/22/59/28/1289225928.db2.gz ZRXXHKLMNJAUDJ-UHFFFAOYSA-N -2 3 359.371 0.128 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@H]1CCCSC1 ZINC001609560307 1289226097 /nfs/dbraw/zinc/22/60/97/1289226097.db2.gz GWPQVYPHAMSKQH-VIFPVBQESA-N -2 3 353.429 0.815 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@H]1CCCSC1 ZINC001609560307 1289226104 /nfs/dbraw/zinc/22/61/04/1289226104.db2.gz GWPQVYPHAMSKQH-VIFPVBQESA-N -2 3 353.429 0.815 20 0 FCADHL O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609571378 1289232760 /nfs/dbraw/zinc/23/27/60/1289232760.db2.gz GDDSKLHRMZDQCL-GFCCVEGCSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609571378 1289232764 /nfs/dbraw/zinc/23/27/64/1289232764.db2.gz GDDSKLHRMZDQCL-GFCCVEGCSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001609572418 1289234622 /nfs/dbraw/zinc/23/46/22/1289234622.db2.gz WUXASGMBXSCCII-SNVBAGLBSA-N -2 3 369.378 0.632 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609572262 1289234998 /nfs/dbraw/zinc/23/49/98/1289234998.db2.gz NTWKJAXUTKKHJF-CHWSQXEVSA-N -2 3 365.415 0.787 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609572262 1289235005 /nfs/dbraw/zinc/23/50/05/1289235005.db2.gz NTWKJAXUTKKHJF-CHWSQXEVSA-N -2 3 365.415 0.787 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609571734 1289235327 /nfs/dbraw/zinc/23/53/27/1289235327.db2.gz RPYKEFOBKVJKHC-GFCCVEGCSA-N -2 3 365.415 0.883 20 0 FCADHL O=C1NCCCN1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001609589480 1289245117 /nfs/dbraw/zinc/24/51/17/1289245117.db2.gz AWXGDDNAXZRENO-UHFFFAOYSA-N -2 3 357.783 0.129 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1cncc(-c2nnn[n-]2)c1 ZINC001609595852 1289253535 /nfs/dbraw/zinc/25/35/35/1289253535.db2.gz MHIMMCQGKOHKHM-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1cncc(-c2nn[n-]n2)c1 ZINC001609595852 1289253539 /nfs/dbraw/zinc/25/35/39/1289253539.db2.gz MHIMMCQGKOHKHM-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1nc2ccccn2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC001609596493 1289254449 /nfs/dbraw/zinc/25/44/49/1289254449.db2.gz NJDDQZJNIGZGRV-UHFFFAOYSA-N -2 3 360.334 0.849 20 0 FCADHL O=S(=O)([N-]c1nc2ccccn2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC001609596493 1289254456 /nfs/dbraw/zinc/25/44/56/1289254456.db2.gz NJDDQZJNIGZGRV-UHFFFAOYSA-N -2 3 360.334 0.849 20 0 FCADHL O=c1[nH]c2cccc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)c2[nH]1 ZINC001609604587 1289259192 /nfs/dbraw/zinc/25/91/92/1289259192.db2.gz YMGRYPVKEBVGLS-UHFFFAOYSA-N -2 3 358.343 0.644 20 0 FCADHL O=c1[nH]c2cccc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)c2[nH]1 ZINC001609604587 1289259199 /nfs/dbraw/zinc/25/91/99/1289259199.db2.gz YMGRYPVKEBVGLS-UHFFFAOYSA-N -2 3 358.343 0.644 20 0 FCADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])N1CCOCC1 ZINC001609684966 1289279793 /nfs/dbraw/zinc/27/97/93/1289279793.db2.gz HVYPXHIIAKPSIU-SNVBAGLBSA-N -2 3 363.461 0.476 20 0 FCADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001609716140 1289285545 /nfs/dbraw/zinc/28/55/45/1289285545.db2.gz WVCADFYGGOFJPD-UWVGGRQHSA-N -2 3 353.341 0.164 20 0 FCADHL CC[C@@H](C)C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC001609904966 1289326718 /nfs/dbraw/zinc/32/67/18/1289326718.db2.gz OMJZDOSWASTBKG-LDYMZIIASA-N -2 3 361.420 0.575 20 0 FCADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])[C@]12CCCO2 ZINC001610027891 1289351188 /nfs/dbraw/zinc/35/11/88/1289351188.db2.gz BMHBOIGIPCMOQG-JRKPZEMJSA-N -2 3 362.429 0.846 20 0 FCADHL CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1(C)C ZINC001610030036 1289352515 /nfs/dbraw/zinc/35/25/15/1289352515.db2.gz YDGOQFSOPIAKEP-SDBXPKJASA-N -2 3 364.445 0.686 20 0 FCADHL CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001610240210 1289435715 /nfs/dbraw/zinc/43/57/15/1289435715.db2.gz AVJWVJGXIIITFU-WPRPVWTQSA-N -2 3 365.354 0.993 20 0 FCADHL COCCCn1c(=O)[n-]nc1SCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001610258874 1289440506 /nfs/dbraw/zinc/44/05/06/1289440506.db2.gz TWNYQUNZLLSNPF-UHFFFAOYSA-N -2 3 358.420 0.436 20 0 FCADHL Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001610537338 1289503327 /nfs/dbraw/zinc/50/33/27/1289503327.db2.gz MZYSCNAQVXXFKG-UHFFFAOYSA-N -2 3 373.412 0.841 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2CCN(c3cccnn3)CC2)c1C(=O)[O-] ZINC001610550041 1289506536 /nfs/dbraw/zinc/50/65/36/1289506536.db2.gz VFPYCHXJKBYJKY-UHFFFAOYSA-N -2 3 366.403 0.154 20 0 FCADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCSC1 ZINC001610729119 1289569496 /nfs/dbraw/zinc/56/94/96/1289569496.db2.gz KPYCCKKHBMRCPR-GFCCVEGCSA-N -2 3 362.360 0.499 20 0 FCADHL COC(=O)Cc1nc(NC(=O)c2ncc(Br)cc2[O-])n[n-]1 ZINC001629780373 1290624811 /nfs/dbraw/zinc/62/48/11/1290624811.db2.gz KKQHUZLRVXJDOS-UHFFFAOYSA-N -2 3 356.136 0.636 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450559 836528012 /nfs/dbraw/zinc/52/80/12/836528012.db2.gz RIBFVERWRWQYDL-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450559 836528018 /nfs/dbraw/zinc/52/80/18/836528018.db2.gz RIBFVERWRWQYDL-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL O=C1NCCCN1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001116924430 846808087 /nfs/dbraw/zinc/80/80/87/846808087.db2.gz KXKZYXBHWRBLOC-UHFFFAOYSA-N -2 3 357.783 0.129 20 0 FCADHL O=C1NCCCN1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001116924430 846808094 /nfs/dbraw/zinc/80/80/94/846808094.db2.gz KXKZYXBHWRBLOC-UHFFFAOYSA-N -2 3 357.783 0.129 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143676781 849497216 /nfs/dbraw/zinc/49/72/16/849497216.db2.gz OMTWOZDZKGJPLO-CABCVRRESA-N -2 3 356.359 0.696 20 0 FCADHL CC(C)(O)CCN1CCN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC1 ZINC001148925881 849622096 /nfs/dbraw/zinc/62/20/96/849622096.db2.gz BDDNMYGMCFRNHW-UHFFFAOYSA-N -2 3 372.443 0.558 20 0 FCADHL CCN1CCN(c2ccc(C(=O)NCCOP(=O)([O-])[O-])cc2)CC1 ZINC001149010927 849625483 /nfs/dbraw/zinc/62/54/83/849625483.db2.gz QUPFPCCWOLGYNX-UHFFFAOYSA-N -2 3 357.347 0.668 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)NCCP(=O)([O-])[O-])c(Cl)cc1F ZINC001194025465 852527389 /nfs/dbraw/zinc/52/73/89/852527389.db2.gz HQUDBLNSSALDDK-UHFFFAOYSA-N -3 3 361.671 0.633 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)NCCCCP(=O)([O-])[O-])c(F)cc1F ZINC001195253761 852731349 /nfs/dbraw/zinc/73/13/49/852731349.db2.gz CRZZVRYUJGTNSD-UHFFFAOYSA-N -3 3 373.270 0.899 20 0 FCADHL CC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195263751 852734488 /nfs/dbraw/zinc/73/44/88/852734488.db2.gz GRVZGLTVYVAKRA-VIFPVBQESA-N -2 3 362.354 0.810 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])c1nccc(OCC2CCOCC2)n1 ZINC001199176156 853384532 /nfs/dbraw/zinc/38/45/32/853384532.db2.gz JLEXIVKPJYUUDK-UHFFFAOYSA-N -2 3 373.346 0.970 20 0 FCADHL COC(=O)c1ccc(CS(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)OC)cc1 ZINC001201227719 853520213 /nfs/dbraw/zinc/52/02/13/853520213.db2.gz JHPZVEIXKZNANO-LBPRGKRZSA-N -2 3 373.383 0.299 20 0 FCADHL N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCOP(=O)([O-])[O-] ZINC001220221031 856019922 /nfs/dbraw/zinc/01/99/22/856019922.db2.gz OMTFOHOPSNHKNQ-SNVBAGLBSA-N -2 3 356.237 0.801 20 0 FCADHL CC(=O)c1ccc([O-])c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001225998417 857077507 /nfs/dbraw/zinc/07/75/07/857077507.db2.gz KJVBNAFFJGGTJL-CYBMUJFWSA-N -2 3 359.400 0.562 20 0 FCADHL CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)[C@H]2OCC[C@@H]21 ZINC001227569074 857166200 /nfs/dbraw/zinc/16/62/00/857166200.db2.gz SQKOKSBSMOWSLY-AEJSXWLSSA-N -2 3 354.363 0.829 20 0 FCADHL O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ccc2occ([O-])c2c1 ZINC001233678123 857389159 /nfs/dbraw/zinc/38/91/59/857389159.db2.gz STGRAMSVIZEZKW-GFCCVEGCSA-N -2 3 357.384 0.229 20 0 FCADHL CC(C)(C)OC(=O)NCCNC(=S)NCCCCP(=O)([O-])[O-] ZINC001248095864 857620606 /nfs/dbraw/zinc/62/06/06/857620606.db2.gz CAZCJYWJTQWZLP-UHFFFAOYSA-N -2 3 355.397 0.933 20 0 FCADHL CC1(C)C(=O)NC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259226489 858250384 /nfs/dbraw/zinc/25/03/84/858250384.db2.gz UYTRODIMXFXGGN-JTQLQIEISA-N -2 3 364.782 0.980 20 0 FCADHL COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001309858768 866934456 /nfs/dbraw/zinc/93/44/56/866934456.db2.gz BPMQAYSDTYUEGI-UHFFFAOYSA-N -2 3 370.412 0.781 20 0 FCADHL O=C(NCc1nc(=O)o[n-]1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001319962489 868047673 /nfs/dbraw/zinc/04/76/73/868047673.db2.gz KFBXRNLTQFARBN-UHFFFAOYSA-N -2 3 365.143 0.897 20 0 FCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCC(=O)OC)CC(=O)[O-])c1 ZINC001602713240 971362005 /nfs/dbraw/zinc/36/20/05/971362005.db2.gz UDXHHKBATGMHAE-UHFFFAOYSA-N -2 3 350.327 0.607 20 0 FCADHL O=C([N-]CCOCCOC(=O)c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826463800 948355764 /nfs/dbraw/zinc/35/57/64/948355764.db2.gz VJWDNBXQMZZYTL-UHFFFAOYSA-N -2 3 373.291 0.719 20 0 FCADHL O=C([N-]CCOCCOC(=O)c1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000826463828 948358392 /nfs/dbraw/zinc/35/83/92/948358392.db2.gz WOOVIKJHXNBVLX-UHFFFAOYSA-N -2 3 373.291 0.719 20 0 FCADHL C[C@@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001573754724 948746706 /nfs/dbraw/zinc/74/67/06/948746706.db2.gz JHHYFPGXKVDOFG-ZETCQYMHSA-N -2 3 356.350 0.032 20 0 FCADHL C[C@@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001573754724 948746717 /nfs/dbraw/zinc/74/67/17/948746717.db2.gz JHHYFPGXKVDOFG-ZETCQYMHSA-N -2 3 356.350 0.032 20 0 FCADHL CC(C)(C)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1nc(=O)o[n-]1 ZINC001573823466 949831843 /nfs/dbraw/zinc/83/18/43/949831843.db2.gz XFYHJKIUBQJKDG-WDEREUQCSA-N -2 3 373.373 0.480 20 0 FCADHL CC(C)(C)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1nc(=O)o[n-]1 ZINC001573823466 949831866 /nfs/dbraw/zinc/83/18/66/949831866.db2.gz XFYHJKIUBQJKDG-WDEREUQCSA-N -2 3 373.373 0.480 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001570975420 950445985 /nfs/dbraw/zinc/44/59/85/950445985.db2.gz ICRCGZKGCKZAML-UHFFFAOYSA-N -2 3 356.367 0.716 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001570975420 950445998 /nfs/dbraw/zinc/44/59/98/950445998.db2.gz ICRCGZKGCKZAML-UHFFFAOYSA-N -2 3 356.367 0.716 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncccc1[O-] ZINC001574754577 950575929 /nfs/dbraw/zinc/57/59/29/950575929.db2.gz MXDUQXNGDHSFNY-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001571026673 951478652 /nfs/dbraw/zinc/47/86/52/951478652.db2.gz BQAZNHYMUMPRTP-MWLCHTKSSA-N -2 3 367.373 0.012 20 0 FCADHL C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001571026673 951478665 /nfs/dbraw/zinc/47/86/65/951478665.db2.gz BQAZNHYMUMPRTP-MWLCHTKSSA-N -2 3 367.373 0.012 20 0 FCADHL O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ncccc1[O-] ZINC001571027763 951502502 /nfs/dbraw/zinc/50/25/02/951502502.db2.gz QRYKCKPJYAXMDS-SNVBAGLBSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1ncccc1-c1nnn[n-]1 ZINC001575065344 951583728 /nfs/dbraw/zinc/58/37/28/951583728.db2.gz BPJACEXPZOEQHC-JTQLQIEISA-N -2 3 354.374 0.617 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1ncccc1-c1nn[n-]n1 ZINC001575065344 951583737 /nfs/dbraw/zinc/58/37/37/951583737.db2.gz BPJACEXPZOEQHC-JTQLQIEISA-N -2 3 354.374 0.617 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1ncccc1-c1nnn[n-]1 ZINC001575065347 951584864 /nfs/dbraw/zinc/58/48/64/951584864.db2.gz BPJACEXPZOEQHC-SNVBAGLBSA-N -2 3 354.374 0.617 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1ncccc1-c1nn[n-]n1 ZINC001575065347 951584874 /nfs/dbraw/zinc/58/48/74/951584874.db2.gz BPJACEXPZOEQHC-SNVBAGLBSA-N -2 3 354.374 0.617 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575067107 951602959 /nfs/dbraw/zinc/60/29/59/951602959.db2.gz IFHXJLNPDZOJDY-QMMMGPOBSA-N -2 3 358.337 0.732 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575067107 951602967 /nfs/dbraw/zinc/60/29/67/951602967.db2.gz IFHXJLNPDZOJDY-QMMMGPOBSA-N -2 3 358.337 0.732 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575067593 951616852 /nfs/dbraw/zinc/61/68/52/951616852.db2.gz MVFLAONEWDYGEJ-SECBINFHSA-N -2 3 372.364 0.756 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575067593 951616859 /nfs/dbraw/zinc/61/68/59/951616859.db2.gz MVFLAONEWDYGEJ-SECBINFHSA-N -2 3 372.364 0.756 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001594888806 954493830 /nfs/dbraw/zinc/49/38/30/954493830.db2.gz IQEQRVNXCVDMMT-REIXXSIJSA-N -2 3 374.319 0.636 20 0 FCADHL COC(=O)[C@@]1([N-]S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCCC(C)(C)C1 ZINC001593814697 954989845 /nfs/dbraw/zinc/98/98/45/954989845.db2.gz PWASJJJNCBRUJY-XHDPSFHLSA-N -2 3 362.448 0.882 20 0 FCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C(=O)[O-] ZINC001593849912 955446112 /nfs/dbraw/zinc/44/61/12/955446112.db2.gz PPFXMXFGARQSQZ-PPRQPISWSA-N -2 3 358.438 0.124 20 0 FCADHL Cn1nc(C(=O)[O-])cc1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001594565647 955843188 /nfs/dbraw/zinc/84/31/88/955843188.db2.gz JKAYITLBZLINLE-UHFFFAOYSA-N -2 3 370.362 0.559 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccn(Cc2ccccc2)n1 ZINC000389701527 972242211 /nfs/dbraw/zinc/24/22/11/972242211.db2.gz SOSUCPSRHNGUED-UHFFFAOYSA-N -2 3 361.383 0.831 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001574763910 957741110 /nfs/dbraw/zinc/74/11/10/957741110.db2.gz JHAKPYZAUNPHSE-UHFFFAOYSA-N -2 3 367.383 0.584 20 0 FCADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604931893 972495075 /nfs/dbraw/zinc/49/50/75/972495075.db2.gz JVCXSRACABRTDU-DTORHVGOSA-N -2 3 359.379 0.860 20 0 FCADHL O=C([O-])COCCOCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001574730533 962832864 /nfs/dbraw/zinc/83/28/64/962832864.db2.gz NDCAJBIMMCSLSW-UHFFFAOYSA-N -2 3 355.771 0.875 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)[C@H]3CO[C@@H](CCC(=O)[O-])C3)C2)n1 ZINC001605091369 972735973 /nfs/dbraw/zinc/73/59/73/972735973.db2.gz COUIRDKINRBZEU-AGIUHOORSA-N -2 3 364.402 0.455 20 0 FCADHL C[C@@H](CC(=O)N[C@H](CF)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001592243624 977468461 /nfs/dbraw/zinc/46/84/61/977468461.db2.gz YJLHKXCDEXAVAV-JGVFFNPUSA-N -2 3 367.786 0.331 20 0 FCADHL C[C@H](CC(=O)NC[C@H](F)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001592253363 977486177 /nfs/dbraw/zinc/48/61/77/977486177.db2.gz VWXRPSBXWFMILJ-SFYZADRCSA-N -2 3 367.786 0.331 20 0 FCADHL C[C@@](CC(=O)[O-])(NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CC1 ZINC001592289590 977606553 /nfs/dbraw/zinc/60/65/53/977606553.db2.gz IHLYUAAOQFTBCE-ZDUSSCGKSA-N -2 3 374.191 0.471 20 0 FCADHL C[C@H](NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C1=CCN(C)CC1 ZINC001593051143 980347206 /nfs/dbraw/zinc/34/72/06/980347206.db2.gz IVZKCSWQWGBBCH-FLLOGLIKSA-N -2 3 365.430 0.844 20 0 FCADHL CC[C@H](C)[C@H](NC(=O)CSc1nc2c(cnn2C)c(=O)[n-]1)C(=O)[O-] ZINC001594904394 982378446 /nfs/dbraw/zinc/37/84/46/982378446.db2.gz ZIYAOGBRQKMACJ-XVKPBYJWSA-N -2 3 353.404 0.777 20 0 FCADHL C[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001599892559 984713479 /nfs/dbraw/zinc/71/34/79/984713479.db2.gz ROTZVTNFXZIKTH-RXMQYKEDSA-N -2 3 356.169 0.946 20 0 FCADHL C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C[C@H](C)O1 ZINC001594499161 985663150 /nfs/dbraw/zinc/66/31/50/985663150.db2.gz LDISPUWTILNZBE-AOOOYVTPSA-N -2 3 360.436 0.274 20 0 FCADHL CC(C)(C)[C@@H](O)C[C@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001589722674 987893881 /nfs/dbraw/zinc/89/38/81/987893881.db2.gz MUFXMHAASNCJDV-APPZFPTMSA-N -2 3 352.434 0.278 20 0 FCADHL CC(C)(C)OC(=O)N[C@H]1C[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001590298081 989727537 /nfs/dbraw/zinc/72/75/37/989727537.db2.gz ZSNFHYNLDWESIZ-ZKCHVHJHSA-N -2 3 360.392 0.442 20 0 FCADHL CN(C)C(=O)C1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCCC1 ZINC001598113675 990512315 /nfs/dbraw/zinc/51/23/15/990512315.db2.gz KAKXMHMKMXBOME-UHFFFAOYSA-N -2 3 361.445 0.911 20 0 FCADHL COc1ncc(S(=O)(=O)[N-]CC(=O)N[C@@H](CC(C)C)C(=O)[O-])s1 ZINC001599734743 991757988 /nfs/dbraw/zinc/75/79/88/991757988.db2.gz LISLIVPUJNBIMJ-QMMMGPOBSA-N -2 3 365.433 0.046 20 0 FCADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001599759763 992104191 /nfs/dbraw/zinc/10/41/91/992104191.db2.gz FCLWCUXAWGBWFX-UHFFFAOYSA-N -2 3 368.346 0.615 20 0 FCADHL CN(CC[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)CC(=O)[O-] ZINC001598495672 992356157 /nfs/dbraw/zinc/35/61/57/992356157.db2.gz OAFJKKYFZOEBLN-OAQYLSRUSA-N -2 3 355.482 0.268 20 0 FCADHL C[C@@H](NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593062864 993583440 /nfs/dbraw/zinc/58/34/40/993583440.db2.gz MSRXHSUKTYNSLD-FVCCEPFGSA-N -2 3 355.435 0.780 20 0 FCADHL CN1CCN(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C[C@H](C(=O)[O-])C1 ZINC001598606476 993670249 /nfs/dbraw/zinc/67/02/49/993670249.db2.gz JMDDYPBAPWNTJE-FZKQIMNGSA-N -2 3 363.414 0.687 20 0 FCADHL CN1CCN(C(=O)c2ncc(Br)cc2[O-])C[C@@H](C(=O)[O-])C1 ZINC001598610883 993771049 /nfs/dbraw/zinc/77/10/49/993771049.db2.gz GRJACSPGQYHRMN-QMMMGPOBSA-N -2 3 358.192 0.638 20 0 FCADHL CN1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@H](C(=O)[O-])C1 ZINC001598613289 993825750 /nfs/dbraw/zinc/82/57/50/993825750.db2.gz OTBAYFVUYZISSD-LLVKDONJSA-N -2 3 355.416 0.147 20 0 FCADHL C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001593318752 994837987 /nfs/dbraw/zinc/83/79/87/994837987.db2.gz KBVGKOZRDUBSFG-UWVGGRQHSA-N -2 3 371.415 0.535 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1nnnn1C ZINC001593330994 994898646 /nfs/dbraw/zinc/89/86/46/994898646.db2.gz PWSLMHUVINAJRF-YFKPBYRVSA-N -2 3 363.758 0.740 20 0 FCADHL C[C@@H](NS(=O)(=O)c1cccnc1C(=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001593345888 994947129 /nfs/dbraw/zinc/94/71/29/994947129.db2.gz RRHMGDBKILMCNM-RXMQYKEDSA-N -2 3 365.293 0.956 20 0 FCADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cscc1Br ZINC001598693465 995099826 /nfs/dbraw/zinc/09/98/26/995099826.db2.gz DTNLDSKVQZBRKN-LURJTMIESA-N -2 3 372.218 0.805 20 0 FCADHL COC(=O)[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598696143 995140156 /nfs/dbraw/zinc/14/01/56/995140156.db2.gz GDQBIQCBKORFKE-VHSXEESVSA-N -2 3 361.372 0.675 20 0 FCADHL COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598696762 995151505 /nfs/dbraw/zinc/15/15/05/995151505.db2.gz KZZHFXZBSNELOE-QWRGUYRKSA-N -2 3 351.421 0.375 20 0 FCADHL COC(=O)[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001598698834 995188548 /nfs/dbraw/zinc/18/85/48/995188548.db2.gz VPDPPMJDDUVBBE-UONOGXRCSA-N -2 3 371.411 0.915 20 0 FCADHL COC(=O)C(F)(F)C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001598701834 995233409 /nfs/dbraw/zinc/23/34/09/995233409.db2.gz KBBDUHBRTCOWNB-UHFFFAOYSA-N -2 3 358.706 0.520 20 0 FCADHL COC(=O)C(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001598702891 995247553 /nfs/dbraw/zinc/24/75/53/995247553.db2.gz QOJGCRPSWZSUMA-UHFFFAOYSA-N -2 3 371.289 0.619 20 0 FCADHL C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)C(C)(C)C(=O)[O-] ZINC001593491800 995468849 /nfs/dbraw/zinc/46/88/49/995468849.db2.gz XUNSUROWCNOMOH-RKDXNWHRSA-N -2 3 351.421 0.562 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CCCOC1 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COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]CCCC(=O)[O-])c1 ZINC000261863426 488539211 /nfs/dbraw/zinc/53/92/11/488539211.db2.gz PGEXUJCMRXYDAT-UHFFFAOYSA-N -2 3 359.356 0.403 20 0 FCADHL CCCC[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-] ZINC000262315003 488563538 /nfs/dbraw/zinc/56/35/38/488563538.db2.gz UDAPRTIYOYXKNB-QMMMGPOBSA-N -2 3 362.180 0.471 20 0 FCADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000262336626 488564530 /nfs/dbraw/zinc/56/45/30/488564530.db2.gz GGPVNJWQAPUMFI-SECBINFHSA-N -2 3 362.429 0.221 20 0 FCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC(=O)[O-])c(OC)c1 ZINC000262458360 488571067 /nfs/dbraw/zinc/57/10/67/488571067.db2.gz RVJAAYQKELPQFQ-UHFFFAOYSA-N -2 3 366.417 0.210 20 0 FCADHL COc1cccc(S([O-])=CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000563005714 491207200 /nfs/dbraw/zinc/20/72/00/491207200.db2.gz FVAZFNYSTUVTCR-LMKMVOKYSA-N -2 3 365.411 0.003 20 0 FCADHL O=C([O-])[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)[C@H]1CCCOC1 ZINC000262666356 488585512 /nfs/dbraw/zinc/58/55/12/488585512.db2.gz AALPIZUKIGXZEQ-JOYOIKCWSA-N -2 3 362.429 0.022 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C)o1 ZINC000262886377 488597821 /nfs/dbraw/zinc/59/78/21/488597821.db2.gz MTJQGBSLYPYGCG-ZDUSSCGKSA-N -2 3 366.395 0.922 20 0 FCADHL CS(=O)(=O)[N-]c1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)ccc1F ZINC000262962103 488601195 /nfs/dbraw/zinc/60/11/95/488601195.db2.gz OGJWBCGNLFHFJN-UHFFFAOYSA-N -2 3 374.390 0.808 20 0 FCADHL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000262970684 488601443 /nfs/dbraw/zinc/60/14/43/488601443.db2.gz PQQXTWVXCQOHFS-IAGOWNOFSA-N -2 3 363.370 0.351 20 0 FCADHL COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263359155 488610574 /nfs/dbraw/zinc/61/05/74/488610574.db2.gz XWPFPWGSGSACJF-LLVKDONJSA-N -2 3 358.416 0.769 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000263442370 488611679 /nfs/dbraw/zinc/61/16/79/488611679.db2.gz QASGPDWKQVEBHQ-DRZSPHRISA-N -2 3 367.427 0.848 20 0 FCADHL C[C@H](C(=O)[O-])N(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CC1 ZINC000263557739 488614316 /nfs/dbraw/zinc/61/43/16/488614316.db2.gz PHBBEMWTIXCDLF-ZCFIWIBFSA-N -2 3 360.164 0.176 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000263554520 488614335 /nfs/dbraw/zinc/61/43/35/488614335.db2.gz NHYPHPRTFZWYLI-ZETCQYMHSA-N -2 3 357.779 0.615 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000263554520 488614337 /nfs/dbraw/zinc/61/43/37/488614337.db2.gz NHYPHPRTFZWYLI-ZETCQYMHSA-N -2 3 357.779 0.615 20 0 FCADHL Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000563071450 491212552 /nfs/dbraw/zinc/21/25/52/491212552.db2.gz CVBWIKYNFJHWHC-CYBMUJFWSA-N -2 3 351.384 0.997 20 0 FCADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)C(N)=O ZINC000273643033 488664268 /nfs/dbraw/zinc/66/42/68/488664268.db2.gz FLGPVYPNVBKGMY-JTQLQIEISA-N -2 3 352.771 0.966 20 0 FCADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)N1CCOCC1 ZINC000273694741 488667377 /nfs/dbraw/zinc/66/73/77/488667377.db2.gz CCDVOUYFDLXNHJ-UHFFFAOYSA-N -2 3 360.407 0.913 20 0 FCADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-])C1CC1 ZINC000554676715 491218131 /nfs/dbraw/zinc/21/81/31/491218131.db2.gz ICDRDUCHQMSTQN-PELKAZGASA-N -2 3 362.429 0.263 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])oc1C ZINC000274876283 488739547 /nfs/dbraw/zinc/73/95/47/488739547.db2.gz BQVTWPMUCSSIFJ-JTQLQIEISA-N -2 3 357.344 0.072 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](Cc2cnc[nH]2)C(=O)[O-])oc1C ZINC000274876283 488739549 /nfs/dbraw/zinc/73/95/49/488739549.db2.gz BQVTWPMUCSSIFJ-JTQLQIEISA-N -2 3 357.344 0.072 20 0 FCADHL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c1 ZINC000274927024 488744398 /nfs/dbraw/zinc/74/43/98/488744398.db2.gz NYXKFILAXKXNLF-SECBINFHSA-N -2 3 351.764 0.241 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000274930704 488744909 /nfs/dbraw/zinc/74/49/09/488744909.db2.gz DAMMNBYSCZJHRT-ZETCQYMHSA-N -2 3 366.317 0.315 20 0 FCADHL O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000274986355 488751221 /nfs/dbraw/zinc/75/12/21/488751221.db2.gz YLSXUVWFUIZLFC-QMMMGPOBSA-N -2 3 366.189 0.108 20 0 FCADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-] ZINC000275028455 488754768 /nfs/dbraw/zinc/75/47/68/488754768.db2.gz PTATYUQTAMYWPA-LLVKDONJSA-N -2 3 362.429 0.485 20 0 FCADHL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000275083752 488759967 /nfs/dbraw/zinc/75/99/67/488759967.db2.gz NRIKIVARWHXNQS-LDWIPMOCSA-N -2 3 351.764 0.239 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]CCc2nc(CC(=O)[O-])cs2)nc1Cl ZINC000275173085 488768884 /nfs/dbraw/zinc/76/88/84/488768884.db2.gz CLJUZKHRMOFHDQ-UHFFFAOYSA-N -2 3 364.836 0.678 20 0 FCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000275193402 488771092 /nfs/dbraw/zinc/77/10/92/488771092.db2.gz FVCVKGCFSILGII-JTQLQIEISA-N -2 3 351.327 0.958 20 0 FCADHL Cc1cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000267429800 488786010 /nfs/dbraw/zinc/78/60/10/488786010.db2.gz YOHCPJBWGKUVOT-LBPRGKRZSA-N -2 3 373.413 0.539 20 0 FCADHL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161790289 488799018 /nfs/dbraw/zinc/79/90/18/488799018.db2.gz VXGDFTFFNSPOGH-SSDLBLMSSA-N -2 3 356.169 0.701 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176255111 488857994 /nfs/dbraw/zinc/85/79/94/488857994.db2.gz HUNFMDQCMKFYSE-UHFFFAOYSA-N -2 3 359.390 0.145 20 0 FCADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000279911725 488974752 /nfs/dbraw/zinc/97/47/52/488974752.db2.gz DNPOZAZDKVZLFK-SECBINFHSA-N -2 3 350.418 0.407 20 0 FCADHL CCCc1cc(=O)n2nc([N-]S(=O)(=O)c3c(C)noc3C)[n-]c2n1 ZINC000288621839 488998615 /nfs/dbraw/zinc/99/86/15/488998615.db2.gz QOUORXIUYUVQMM-UHFFFAOYSA-N -2 3 352.376 0.776 20 0 FCADHL O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000554878218 491230449 /nfs/dbraw/zinc/23/04/49/491230449.db2.gz YUSDVSVVRCWNRM-NSHDSACASA-N -2 3 360.757 0.970 20 0 FCADHL O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000281163529 489058225 /nfs/dbraw/zinc/05/82/25/489058225.db2.gz BOWLOPVPYMOEGK-SSDOTTSWSA-N -2 3 356.169 0.702 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@@H]3CO2)cc1C(=O)[O-] ZINC000371854894 489518817 /nfs/dbraw/zinc/51/88/17/489518817.db2.gz ZUULOSLTEOJBNW-VXGBXAGGSA-N -2 3 372.418 0.974 20 0 FCADHL CC[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H](C)O ZINC000451883002 489528025 /nfs/dbraw/zinc/52/80/25/489528025.db2.gz AUARNSNPWLUQKQ-KWQFWETISA-N -2 3 354.425 0.635 20 0 FCADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OCC)c1)C(=O)[O-] ZINC000570738033 491261331 /nfs/dbraw/zinc/26/13/31/491261331.db2.gz QTWJYGNXYVGKLC-LBPRGKRZSA-N -2 3 363.363 0.770 20 0 FCADHL C[C@H](CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000427728243 489618568 /nfs/dbraw/zinc/61/85/68/489618568.db2.gz PIKCGHPKKUZMOL-LLVKDONJSA-N -2 3 363.395 0.897 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]CC(=O)NCc2ccc(C(=O)[O-])cc2)cn1C ZINC000427980457 489631395 /nfs/dbraw/zinc/63/13/95/489631395.db2.gz TXCWAZJHDLEQDG-UHFFFAOYSA-N -2 3 366.399 0.021 20 0 FCADHL COC(C)(C)CS(=O)(=O)[N-][C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417449556 489654580 /nfs/dbraw/zinc/65/45/80/489654580.db2.gz YCKSPYAPXCEJAX-GHMZBOCLSA-N -2 3 350.437 0.041 20 0 FCADHL Cc1cn2ccnc(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)c2n1 ZINC000431478283 489806877 /nfs/dbraw/zinc/80/68/77/489806877.db2.gz PRPOKSMHZNPZMW-UHFFFAOYSA-N -2 3 353.389 0.513 20 0 FCADHL CCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H](C)C(=O)[O-])cc(C3CC3)nc21 ZINC000431512032 489808753 /nfs/dbraw/zinc/80/87/53/489808753.db2.gz MTFOKIRGNVKQMY-QMMMGPOBSA-N -2 3 360.370 0.845 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cc1 ZINC000432118286 489829759 /nfs/dbraw/zinc/82/97/59/489829759.db2.gz VVQWOFZGTIWDIL-AAEUAGOBSA-N -2 3 356.400 0.668 20 0 FCADHL COC(=O)Cc1nc([N-]S(=O)(=O)Cc2cccc(C(=O)OC)c2)n[n-]1 ZINC000460528256 489870820 /nfs/dbraw/zinc/87/08/20/489870820.db2.gz BIHBGUGUFHWEII-UHFFFAOYSA-N -2 3 368.371 0.249 20 0 FCADHL C[C@@H](O)CCC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000433353518 489878478 /nfs/dbraw/zinc/87/84/78/489878478.db2.gz LSSIKFCHCMGANO-SECBINFHSA-N -2 3 354.425 0.637 20 0 FCADHL CO[C@@H](C)CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476923960 489925310 /nfs/dbraw/zinc/92/53/10/489925310.db2.gz NENVDMRXLCMQKO-VIFPVBQESA-N -2 3 354.425 0.901 20 0 FCADHL COCCCC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000477152201 489946403 /nfs/dbraw/zinc/94/64/03/489946403.db2.gz SRWARQJQPCUNLV-UHFFFAOYSA-N -2 3 354.425 0.902 20 0 FCADHL CC(C)OCCS(=O)(=O)[N-]CC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000477423457 489963993 /nfs/dbraw/zinc/96/39/93/489963993.db2.gz MVQDXECKHJBMBT-UHFFFAOYSA-N -2 3 364.493 0.540 20 0 FCADHL CCn1c(=O)[n-]c(=O)c2c(C(=O)NCc3n[nH]c(=O)[n-]3)cc(C3CC3)nc21 ZINC000479398629 490088051 /nfs/dbraw/zinc/08/80/51/490088051.db2.gz ZGJKMBPBALVUTB-UHFFFAOYSA-N -2 3 371.357 0.148 20 0 FCADHL C[C@](O)(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000546024215 490176594 /nfs/dbraw/zinc/17/65/94/490176594.db2.gz IASGLIGGWHNVBF-AWEZNQCLSA-N -2 3 369.171 0.856 20 0 FCADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3-n3ccnn3)ccc21 ZINC000521341280 490249141 /nfs/dbraw/zinc/24/91/41/490249141.db2.gz RFMRPWCRPGFNPA-UHFFFAOYSA-N -2 3 369.362 0.952 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)cn1 ZINC000507924429 490278283 /nfs/dbraw/zinc/27/82/83/490278283.db2.gz YGBMHWCXOKAFQV-CQSZACIVSA-N -2 3 360.395 0.941 20 0 FCADHL CCc1ncc(S(=O)(=O)[N-][C@@H](Cn2nc(C)cc2C)C(=O)[O-])s1 ZINC000547549598 490314597 /nfs/dbraw/zinc/31/45/97/490314597.db2.gz NMEPNDCGJCUALB-JTQLQIEISA-N -2 3 358.445 0.951 20 0 FCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000547555490 490316746 /nfs/dbraw/zinc/31/67/46/490316746.db2.gz SHSVGHSEBVZGGT-LURJTMIESA-N -2 3 352.346 0.259 20 0 FCADHL CO[C@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000547573564 490321962 /nfs/dbraw/zinc/32/19/62/490321962.db2.gz YLZOPVLHYPDNFD-MRVPVSSYSA-N -2 3 350.736 0.152 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-] ZINC000547588151 490325506 /nfs/dbraw/zinc/32/55/06/490325506.db2.gz DIOZSSWWLQCTAQ-LURJTMIESA-N -2 3 354.431 0.414 20 0 FCADHL O=C(c1cc(Br)ccc1[O-])N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000408414125 490329950 /nfs/dbraw/zinc/32/99/50/490329950.db2.gz JFBITUMAWUSZTN-SECBINFHSA-N -2 3 354.160 0.531 20 0 FCADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000547611409 490329919 /nfs/dbraw/zinc/32/99/19/490329919.db2.gz FFFGVPIRMOPXBI-JOYOIKCWSA-N -2 3 362.360 0.496 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000522263013 490361352 /nfs/dbraw/zinc/36/13/52/490361352.db2.gz TYTHXFMVNHRQLC-SNVBAGLBSA-N -2 3 356.379 0.439 20 0 FCADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-] ZINC000547871003 490370994 /nfs/dbraw/zinc/37/09/94/490370994.db2.gz UDSXFYPYGUWWKS-UHFFFAOYSA-N -2 3 360.775 0.874 20 0 FCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)[C@H]1CCOC1 ZINC000547874872 490372271 /nfs/dbraw/zinc/37/22/71/490372271.db2.gz PPLXYYLTEMXMPM-LKFCYVNXSA-N -2 3 372.374 0.478 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000547901300 490382382 /nfs/dbraw/zinc/38/23/82/490382382.db2.gz UGKSFSYTMUQAEE-SECBINFHSA-N -2 3 368.205 0.836 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cn1C ZINC000449132603 490402842 /nfs/dbraw/zinc/40/28/42/490402842.db2.gz AWXRDDWEAAURAZ-LLVKDONJSA-N -2 3 374.463 0.403 20 0 FCADHL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000548204761 490437322 /nfs/dbraw/zinc/43/73/22/490437322.db2.gz PGGFVLNOUTZQKU-VIFPVBQESA-N -2 3 362.791 0.339 20 0 FCADHL Cc1cccc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])CN2CCOCC2)c1F ZINC000548212443 490441238 /nfs/dbraw/zinc/44/12/38/490441238.db2.gz ZLMRRCNDWHQWGO-ZDUSSCGKSA-N -2 3 374.434 0.978 20 0 FCADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)s1 ZINC000548264859 490453759 /nfs/dbraw/zinc/45/37/59/490453759.db2.gz SAZCACVODDDFOR-ZDUSSCGKSA-N -2 3 360.457 0.958 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000422708803 490461872 /nfs/dbraw/zinc/46/18/72/490461872.db2.gz YGTZPNPNVTXCBZ-RNFRBKRXSA-N -2 3 363.296 0.009 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000422708803 490461881 /nfs/dbraw/zinc/46/18/81/490461881.db2.gz YGTZPNPNVTXCBZ-RNFRBKRXSA-N -2 3 363.296 0.009 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000422708803 490461885 /nfs/dbraw/zinc/46/18/85/490461885.db2.gz YGTZPNPNVTXCBZ-RNFRBKRXSA-N -2 3 363.296 0.009 20 0 FCADHL CC[C@H](COC)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000523418581 490463009 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COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736967588 598858773 /nfs/dbraw/zinc/85/87/73/598858773.db2.gz BMTDXBMDAVSINQ-ZJUUUORDSA-N -2 3 369.403 0.115 20 0 FCADHL CCc1ncncc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736706399 598977386 /nfs/dbraw/zinc/97/73/86/598977386.db2.gz VXWILHRPZTUMPD-UHFFFAOYSA-N -2 3 373.398 0.646 20 0 FCADHL CCc1ncncc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736706399 598977388 /nfs/dbraw/zinc/97/73/88/598977388.db2.gz VXWILHRPZTUMPD-UHFFFAOYSA-N -2 3 373.398 0.646 20 0 FCADHL Cn1cnc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c1Cl ZINC000737619564 599026589 /nfs/dbraw/zinc/02/65/89/599026589.db2.gz VOCUOVMSDBPJKB-UHFFFAOYSA-N -2 3 373.807 0.434 20 0 FCADHL Cn1cnc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c1Cl ZINC000737619564 599026591 /nfs/dbraw/zinc/02/65/91/599026591.db2.gz VOCUOVMSDBPJKB-UHFFFAOYSA-N -2 3 373.807 0.434 20 0 FCADHL COC(=O)Cc1n[n-]c(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)n1 ZINC000739768050 597041442 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0 FCADHL C[C@@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccc(-c2nnn[n-]2)c1 ZINC000736157353 598432678 /nfs/dbraw/zinc/43/26/78/598432678.db2.gz ALDPIDGMFCWXBV-SECBINFHSA-N -2 3 366.341 0.556 20 0 FCADHL C[C@@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccc(-c2nn[n-]n2)c1 ZINC000736157353 598432680 /nfs/dbraw/zinc/43/26/80/598432680.db2.gz ALDPIDGMFCWXBV-SECBINFHSA-N -2 3 366.341 0.556 20 0 FCADHL O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000737901421 598535780 /nfs/dbraw/zinc/53/57/80/598535780.db2.gz ULDYSEPYCAMXGX-UHFFFAOYSA-N -2 3 374.382 0.598 20 0 FCADHL O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000737901421 598535782 /nfs/dbraw/zinc/53/57/82/598535782.db2.gz ULDYSEPYCAMXGX-UHFFFAOYSA-N -2 3 374.382 0.598 20 0 FCADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cccc2c1OCCO2 ZINC000738346254 598638729 /nfs/dbraw/zinc/63/87/29/598638729.db2.gz WPOCYZBUJLBTPV-UHFFFAOYSA-N -2 3 360.355 0.834 20 0 FCADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc2c1OCCO2 ZINC000738346254 598638730 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ZINC000824686858 607641436 /nfs/dbraw/zinc/64/14/36/607641436.db2.gz CSPPVHHBFALLLV-HTQZYQBOSA-N -2 3 361.374 0.830 20 0 FCADHL O=S(=O)([N-][C@@H]1C=C[C@H](CO)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826492487 607662161 /nfs/dbraw/zinc/66/21/61/607662161.db2.gz NFTWTPIGRHNVNA-IONNQARKSA-N -2 3 357.342 0.360 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H]1CN(C)CCO1 ZINC000827760679 604417795 /nfs/dbraw/zinc/41/77/95/604417795.db2.gz OIKYJDTZILZHRD-PSASIEDQSA-N -2 3 364.370 0.660 20 0 FCADHL O=C([O-])C[C@H]1CCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000833208263 604586203 /nfs/dbraw/zinc/58/62/03/604586203.db2.gz YJQMNKIJKZOOGX-SSDOTTSWSA-N -2 3 360.164 0.177 20 0 FCADHL CC1(C)CCC([N-]S(=O)(=O)c2csnc2C(=O)[O-])(C(N)=O)CC1 ZINC000833559326 604713699 /nfs/dbraw/zinc/71/36/99/604713699.db2.gz ZQNZLXHLOVEJAB-UHFFFAOYSA-N -2 3 361.445 0.944 20 0 FCADHL C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833617389 605209854 /nfs/dbraw/zinc/20/98/54/605209854.db2.gz DADBYRQGYQSWAM-BXKDBHETSA-N -2 3 356.400 0.903 20 0 FCADHL Cc1cccnc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822369732 606177535 /nfs/dbraw/zinc/17/75/35/606177535.db2.gz MPUAKKYWJOLFTA-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cccnc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822369732 606177536 /nfs/dbraw/zinc/17/75/36/606177536.db2.gz MPUAKKYWJOLFTA-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)oc1C ZINC000821668088 606202254 /nfs/dbraw/zinc/20/22/54/606202254.db2.gz NVNQAPGEQYQFPH-UHFFFAOYSA-N -2 3 364.343 0.751 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)oc1C ZINC000821668088 606202255 /nfs/dbraw/zinc/20/22/55/606202255.db2.gz NVNQAPGEQYQFPH-UHFFFAOYSA-N -2 3 364.343 0.751 20 0 FCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000821635106 606212076 /nfs/dbraw/zinc/21/20/76/606212076.db2.gz MORRDFYAWWMXMT-UHFFFAOYSA-N -2 3 374.382 0.733 20 0 FCADHL CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc([O-])n(C)c1=O ZINC000821105217 606309043 /nfs/dbraw/zinc/30/90/43/606309043.db2.gz ZCCJMCZILSOMQH-UHFFFAOYSA-N -2 3 369.385 0.718 20 0 FCADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000819971850 606706611 /nfs/dbraw/zinc/70/66/11/606706611.db2.gz UNFAZUKKZJGGFH-SECBINFHSA-N -2 3 355.424 0.739 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc3nsnc32)n1 ZINC000822623310 606711107 /nfs/dbraw/zinc/71/11/07/606711107.db2.gz SSDAACWUJXGXOL-UHFFFAOYSA-N -2 3 363.388 0.406 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822941508 606746719 /nfs/dbraw/zinc/74/67/19/606746719.db2.gz YBQKACOGIPWQDQ-CYBMUJFWSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822941508 606746721 /nfs/dbraw/zinc/74/67/21/606746721.db2.gz YBQKACOGIPWQDQ-CYBMUJFWSA-N -2 3 365.415 0.772 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nncn1C ZINC000820437604 606886191 /nfs/dbraw/zinc/88/61/91/606886191.db2.gz AIARATJEOOHNBC-ZCFIWIBFSA-N -2 3 370.345 0.313 20 0 FCADHL COC(=O)c1nscc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821670975 606980211 /nfs/dbraw/zinc/98/02/11/606980211.db2.gz AEPMQCLPTWWUII-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL CCOC(=O)Nc1ccc(NC(=O)c2n[nH]c(=O)[n-]2)cc1-c1nnn[n-]1 ZINC000825545008 607780952 /nfs/dbraw/zinc/78/09/52/607780952.db2.gz KSXCGECJFMTKCT-UHFFFAOYSA-N -2 3 359.306 0.511 20 0 FCADHL CCOC(=O)Nc1ccc(NC(=O)c2n[nH]c(=O)[n-]2)cc1-c1nn[n-]n1 ZINC000825545008 607780953 /nfs/dbraw/zinc/78/09/53/607780953.db2.gz KSXCGECJFMTKCT-UHFFFAOYSA-N -2 3 359.306 0.511 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000824744897 607860505 /nfs/dbraw/zinc/86/05/05/607860505.db2.gz IVUADCJAKKCTTN-SNVBAGLBSA-N -2 3 365.415 0.880 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000824744897 607860506 /nfs/dbraw/zinc/86/05/06/607860506.db2.gz IVUADCJAKKCTTN-SNVBAGLBSA-N -2 3 365.415 0.880 20 0 FCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000824739686 607860563 /nfs/dbraw/zinc/86/05/63/607860563.db2.gz ZIQHOVICKGKODT-SNVBAGLBSA-N -2 3 365.415 0.880 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826408984 607985512 /nfs/dbraw/zinc/98/55/12/607985512.db2.gz CZGLRHDAFOXHGX-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826408984 607985513 /nfs/dbraw/zinc/98/55/13/607985513.db2.gz CZGLRHDAFOXHGX-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826408952 607985740 /nfs/dbraw/zinc/98/57/40/607985740.db2.gz BINOSUUXAANSQH-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826408952 607985741 /nfs/dbraw/zinc/98/57/41/607985741.db2.gz BINOSUUXAANSQH-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000826461360 608010824 /nfs/dbraw/zinc/01/08/24/608010824.db2.gz RAQGWAQDEBDESH-UHFFFAOYSA-N -2 3 355.351 0.491 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826461360 608010825 /nfs/dbraw/zinc/01/08/25/608010825.db2.gz RAQGWAQDEBDESH-UHFFFAOYSA-N -2 3 355.351 0.491 20 0 FCADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826216920 608144820 /nfs/dbraw/zinc/14/48/20/608144820.db2.gz RWJSHLBFZSBBHT-UHFFFAOYSA-N -2 3 362.371 0.463 20 0 FCADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826216920 608144821 /nfs/dbraw/zinc/14/48/21/608144821.db2.gz RWJSHLBFZSBBHT-UHFFFAOYSA-N -2 3 362.371 0.463 20 0 FCADHL CN(CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825892790 608274601 /nfs/dbraw/zinc/27/46/01/608274601.db2.gz SXTUHVVHDWFREJ-UHFFFAOYSA-N -2 3 372.410 0.808 20 0 FCADHL CN(CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825892790 608274603 /nfs/dbraw/zinc/27/46/03/608274603.db2.gz SXTUHVVHDWFREJ-UHFFFAOYSA-N -2 3 372.410 0.808 20 0 FCADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)ccc1F ZINC000824000217 608306411 /nfs/dbraw/zinc/30/64/11/608306411.db2.gz ZXCDIIXLGUEAJD-UHFFFAOYSA-N -2 3 366.338 0.488 20 0 FCADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000826455904 608402820 /nfs/dbraw/zinc/40/28/20/608402820.db2.gz ITFOUSITEOQJSC-UHFFFAOYSA-N -2 3 369.389 0.541 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)o1 ZINC000826286998 608473795 /nfs/dbraw/zinc/47/37/95/608473795.db2.gz YLDDCHYXWCZBKC-UHFFFAOYSA-N -2 3 361.383 0.957 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)o1 ZINC000826286998 608473797 /nfs/dbraw/zinc/47/37/97/608473797.db2.gz YLDDCHYXWCZBKC-UHFFFAOYSA-N -2 3 361.383 0.957 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826402281 609162074 /nfs/dbraw/zinc/16/20/74/609162074.db2.gz QFBWTSDIIDELBH-GUOLPTJISA-N -2 3 363.399 0.505 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826402281 609162075 /nfs/dbraw/zinc/16/20/75/609162075.db2.gz QFBWTSDIIDELBH-GUOLPTJISA-N -2 3 363.399 0.505 20 0 FCADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826408553 609162337 /nfs/dbraw/zinc/16/23/37/609162337.db2.gz LJJHXLMLAGOSSB-CYBMUJFWSA-N -2 3 365.415 0.424 20 0 FCADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826408553 609162338 /nfs/dbraw/zinc/16/23/38/609162338.db2.gz LJJHXLMLAGOSSB-CYBMUJFWSA-N -2 3 365.415 0.424 20 0 FCADHL CC(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000824337558 609255693 /nfs/dbraw/zinc/25/56/93/609255693.db2.gz AKDKXUILJWYBAJ-CYBMUJFWSA-N -2 3 364.431 0.690 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCCOC1 ZINC000824784676 609355102 /nfs/dbraw/zinc/35/51/02/609355102.db2.gz YPUNFJBENVKEQP-OAHLLOKOSA-N -2 3 365.415 0.629 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCCOC1 ZINC000824784676 609355104 /nfs/dbraw/zinc/35/51/04/609355104.db2.gz YPUNFJBENVKEQP-OAHLLOKOSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826422308 609366820 /nfs/dbraw/zinc/36/68/20/609366820.db2.gz UEZHRQXVNUXJDP-LBPRGKRZSA-N -2 3 351.388 0.034 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826422308 609366823 /nfs/dbraw/zinc/36/68/23/609366823.db2.gz UEZHRQXVNUXJDP-LBPRGKRZSA-N -2 3 351.388 0.034 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826402554 609367046 /nfs/dbraw/zinc/36/70/46/609367046.db2.gz WYNIYKBVTSAMPR-KRZKBDHCSA-N -2 3 363.399 0.505 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826402554 609367049 /nfs/dbraw/zinc/36/70/49/609367049.db2.gz WYNIYKBVTSAMPR-KRZKBDHCSA-N -2 3 363.399 0.505 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cn1 ZINC000825643412 609382468 /nfs/dbraw/zinc/38/24/68/609382468.db2.gz NWGAUOOSGAJUKQ-UHFFFAOYSA-N -2 3 353.389 0.918 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)COC(C)(C)C ZINC000826279553 609386372 /nfs/dbraw/zinc/38/63/72/609386372.db2.gz UKAMPGWTFXIGKC-UHFFFAOYSA-N -2 3 353.404 0.795 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)COC(C)(C)C ZINC000826279553 609386374 /nfs/dbraw/zinc/38/63/74/609386374.db2.gz UKAMPGWTFXIGKC-UHFFFAOYSA-N -2 3 353.404 0.795 20 0 FCADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-][N-]C(=O)NCc2ccco2)cc1 ZINC000064939679 663344853 /nfs/dbraw/zinc/34/48/53/663344853.db2.gz VREHOMOZBBFEGY-UHFFFAOYSA-N -3 3 367.383 0.990 20 0 FCADHL NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000917748662 667085178 /nfs/dbraw/zinc/08/51/78/667085178.db2.gz QYZQMGDVPKLMCF-UHFFFAOYSA-N -2 3 374.371 0.972 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCOCC2)c(F)cc1F ZINC000761235707 667883012 /nfs/dbraw/zinc/88/30/12/667883012.db2.gz YKEVDAQHAIQVRM-UHFFFAOYSA-N -2 3 350.343 0.274 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2nnnn2C2CC2)c(F)cc1F ZINC000761311651 667886601 /nfs/dbraw/zinc/88/66/01/667886601.db2.gz DWKUSBDRIWLPBC-UHFFFAOYSA-N -2 3 359.314 0.463 20 0 FCADHL CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000737865718 667889548 /nfs/dbraw/zinc/88/95/48/667889548.db2.gz UBKWWAOINHPOMB-KGLIPLIRSA-N -2 3 370.427 0.544 20 0 FCADHL O=C([O-])c1cn(CCCC[N-]S(=O)(=O)c2cccnc2Cl)nn1 ZINC000840795941 667979168 /nfs/dbraw/zinc/97/91/68/667979168.db2.gz JNOIDNFQMKHXRH-UHFFFAOYSA-N -2 3 359.795 0.783 20 0 FCADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)OCc1n[nH]c(=O)[n-]1 ZINC000774939910 668185639 /nfs/dbraw/zinc/18/56/39/668185639.db2.gz PZZVXJRXTAQMGN-UHFFFAOYSA-N -2 3 352.781 0.247 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(=O)[n-]1 ZINC000775306794 668208767 /nfs/dbraw/zinc/20/87/67/668208767.db2.gz LFQGBSSJMIYZDK-UHFFFAOYSA-N -2 3 365.367 0.575 20 0 FCADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776537884 668269131 /nfs/dbraw/zinc/26/91/31/668269131.db2.gz NSAKTVVWEQREGL-ZETCQYMHSA-N -2 3 350.780 0.911 20 0 FCADHL NC(=O)CO[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000772925117 668336088 /nfs/dbraw/zinc/33/60/88/668336088.db2.gz JTXZMZSBCYSJFZ-UHFFFAOYSA-N -2 3 369.424 0.625 20 0 FCADHL CS/C=C/C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784896921 668680949 /nfs/dbraw/zinc/68/09/49/668680949.db2.gz AXQSDNZWUIAFTJ-AATRIKPKSA-N -2 3 368.433 0.879 20 0 FCADHL CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784896624 668681005 /nfs/dbraw/zinc/68/10/05/668681005.db2.gz LDTOIRQJIOPWJK-SSDOTTSWSA-N -2 3 354.381 0.037 20 0 FCADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000821670243 669209495 /nfs/dbraw/zinc/20/94/95/669209495.db2.gz UIVVDYHJDUCZLL-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL Cc1cccnc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822370513 669261807 /nfs/dbraw/zinc/26/18/07/669261807.db2.gz ZXZGDVNGQCKHSM-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cccnc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822370513 669261812 /nfs/dbraw/zinc/26/18/12/669261812.db2.gz ZXZGDVNGQCKHSM-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)Cc1ccon1 ZINC000822978772 669311261 /nfs/dbraw/zinc/31/12/61/669311261.db2.gz QNBQWYFTFHTVIW-UHFFFAOYSA-N -2 3 362.371 0.434 20 0 FCADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)Cc1ccon1 ZINC000822978772 669311264 /nfs/dbraw/zinc/31/12/64/669311264.db2.gz QNBQWYFTFHTVIW-UHFFFAOYSA-N -2 3 362.371 0.434 20 0 FCADHL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823551091 669350242 /nfs/dbraw/zinc/35/02/42/669350242.db2.gz FCBMMIRXDFVUFW-UHFFFAOYSA-N -2 3 364.368 0.794 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824867825 669421972 /nfs/dbraw/zinc/42/19/72/669421972.db2.gz RPESUJZMPOPQPE-GWCFXTLKSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824867825 669421976 /nfs/dbraw/zinc/42/19/76/669421976.db2.gz RPESUJZMPOPQPE-GWCFXTLKSA-N -2 3 365.415 0.628 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449861 669494035 /nfs/dbraw/zinc/49/40/35/669494035.db2.gz MMVDVWCOPJCLTR-UHFFFAOYSA-N -2 3 367.778 0.503 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449861 669494041 /nfs/dbraw/zinc/49/40/41/669494041.db2.gz MMVDVWCOPJCLTR-UHFFFAOYSA-N -2 3 367.778 0.503 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449602 669494084 /nfs/dbraw/zinc/49/40/84/669494084.db2.gz AODJRRLQZKMORT-UHFFFAOYSA-N -2 3 368.325 0.733 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449602 669494088 /nfs/dbraw/zinc/49/40/88/669494088.db2.gz AODJRRLQZKMORT-UHFFFAOYSA-N -2 3 368.325 0.733 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000831078663 669826384 /nfs/dbraw/zinc/82/63/84/669826384.db2.gz NUDOIFOTZHXNFS-ZDUSSCGKSA-N -2 3 368.367 0.914 20 0 FCADHL CC(C)(C)OC(=O)N[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC000837291331 670095639 /nfs/dbraw/zinc/09/56/39/670095639.db2.gz LKNOFSQEEMYUDH-LURJTMIESA-N -2 3 368.799 0.319 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000837292354 670096356 /nfs/dbraw/zinc/09/63/56/670096356.db2.gz XLSNQDJOCVRPNE-VIFPVBQESA-N -2 3 363.392 0.548 20 0 FCADHL COC(=O)Cc1nc([N-]S(=O)(=O)CCc2ccc(OC)cc2)n[n-]1 ZINC000840948137 670528185 /nfs/dbraw/zinc/52/81/85/670528185.db2.gz REMBRPYLTGIOHM-UHFFFAOYSA-N -2 3 354.388 0.513 20 0 FCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000846002405 671065154 /nfs/dbraw/zinc/06/51/54/671065154.db2.gz HMPWOSJXXADRJW-UHFFFAOYSA-N -2 3 370.836 0.843 20 0 FCADHL CC[S@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000132145481 673382651 /nfs/dbraw/zinc/38/26/51/673382651.db2.gz LZAINTJPJNORDV-GOSISDBHSA-N -2 3 374.234 0.787 20 0 FCADHL C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983871245 1188364766 /nfs/dbraw/zinc/36/47/66/1188364766.db2.gz LTWVNTMXBLUSGS-NEPJUHHUSA-N -2 3 371.397 0.954 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC001185622169 1206484268 /nfs/dbraw/zinc/48/42/68/1206484268.db2.gz JQVYHNNPWIJSEK-CYBMUJFWSA-N -2 3 374.382 0.454 20 0 FCADHL Cn1nnnc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193254878 1207865534 /nfs/dbraw/zinc/86/55/34/1207865534.db2.gz MWEIMLCEJKEUAP-UHFFFAOYSA-N -2 3 374.382 0.969 20 0 FCADHL O=C(CCn1cc[n-]c(=O)c1=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000116762129 1209822898 /nfs/dbraw/zinc/82/28/98/1209822898.db2.gz ASDAKATXIYRCPJ-UHFFFAOYSA-N -2 3 371.393 0.754 20 0 FCADHL O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001158466401 1223099044 /nfs/dbraw/zinc/09/90/44/1223099044.db2.gz OUWUQJWUWKPDPH-GFCCVEGCSA-N -2 3 368.353 0.534 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC000987690026 1249151953 /nfs/dbraw/zinc/15/19/53/1249151953.db2.gz XXKBVZQGOWRDAE-MNOVXSKESA-N -2 3 357.370 0.624 20 0 FCADHL Cc1nc(C)c(CCC(=O)N[N-]C(=O)c2n[nH]c3c2CCCC3)c(=O)[n-]1 ZINC000009896454 1245289963 /nfs/dbraw/zinc/28/99/63/1245289963.db2.gz FNRSMYHSDQBYBD-UHFFFAOYSA-N -2 3 358.402 0.382 20 0 FCADHL CC(C)NC(=S)N[N-]C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000032663753 1245293711 /nfs/dbraw/zinc/29/37/11/1245293711.db2.gz KOYOBCWGXLBLTQ-UHFFFAOYSA-N -2 3 362.477 0.874 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC000994479641 1250484700 /nfs/dbraw/zinc/48/47/00/1250484700.db2.gz DBSNJFFBIWPUOP-ZYHUDNBSSA-N -2 3 371.397 0.729 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc[n-]c2=O)c1[O-] ZINC000996095831 1251159486 /nfs/dbraw/zinc/15/94/86/1251159486.db2.gz UYRLFADMMQVVCR-MIMYLULJSA-N -2 3 358.358 0.095 20 0 FCADHL O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)c1ncccc1[O-] ZINC000996159683 1251208717 /nfs/dbraw/zinc/20/87/17/1251208717.db2.gz YOOSFFVTLJWRRH-USWWRNFRSA-N -2 3 355.354 0.458 20 0 FCADHL Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001557704246 1268969526 /nfs/dbraw/zinc/96/95/26/1268969526.db2.gz VSBRWDOJRGUIEH-UHFFFAOYSA-N -2 3 366.399 0.377 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N(C)CCCNC(=O)c2ncccc2[O-])n1 ZINC001580638715 1278606992 /nfs/dbraw/zinc/60/69/92/1278606992.db2.gz XXCLWQAGWGNMGE-UHFFFAOYSA-N -2 3 369.389 0.322 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N(C)CCCNC(=O)c2ncccc2[O-])n1 ZINC001580638715 1278606994 /nfs/dbraw/zinc/60/69/94/1278606994.db2.gz XXCLWQAGWGNMGE-UHFFFAOYSA-N -2 3 369.389 0.322 20 0 FCADHL C[C@@H](C[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1[O-] ZINC001574541978 1271322124 /nfs/dbraw/zinc/32/21/24/1271322124.db2.gz CRJRTXQGQLFYLN-QWRGUYRKSA-N -2 3 368.401 0.793 20 0 FCADHL C[C@@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1[O-] ZINC001574666160 1271467577 /nfs/dbraw/zinc/46/75/77/1271467577.db2.gz ZAMWKEOVGDRSIN-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1[O-] ZINC001574666160 1271467579 /nfs/dbraw/zinc/46/75/79/1271467579.db2.gz ZAMWKEOVGDRSIN-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1nn(C)cc1[O-] ZINC001575492444 1272166016 /nfs/dbraw/zinc/16/60/16/1272166016.db2.gz WQOJUGGMOWSXRZ-ZJUUUORDSA-N -2 3 357.374 0.951 20 0 FCADHL C[C@@]1(NC(=O)c2ccccc2[O-])CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575840472 1272511072 /nfs/dbraw/zinc/51/10/72/1272511072.db2.gz WIRRRIOAODUUSV-QGZVFWFLSA-N -2 3 366.385 0.761 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580719756 1278794503 /nfs/dbraw/zinc/79/45/03/1278794503.db2.gz LQFLLAARZZBSQX-VIFPVBQESA-N -2 3 369.389 0.544 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580719756 1278794511 /nfs/dbraw/zinc/79/45/11/1278794511.db2.gz LQFLLAARZZBSQX-VIFPVBQESA-N -2 3 369.389 0.544 20 0 FCADHL CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccc(-c2nnn[n-]2)nc1 ZINC001576853308 1273803139 /nfs/dbraw/zinc/80/31/39/1273803139.db2.gz XXRTUTRUSSXAAR-VIFPVBQESA-N -2 3 357.378 0.619 20 0 FCADHL CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576853308 1273803147 /nfs/dbraw/zinc/80/31/47/1273803147.db2.gz XXRTUTRUSSXAAR-VIFPVBQESA-N -2 3 357.378 0.619 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001580750966 1278861981 /nfs/dbraw/zinc/86/19/81/1278861981.db2.gz ATOHOPWDJNBFNV-VIFPVBQESA-N -2 3 355.362 0.296 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001580750966 1278861995 /nfs/dbraw/zinc/86/19/95/1278861995.db2.gz ATOHOPWDJNBFNV-VIFPVBQESA-N -2 3 355.362 0.296 20 0 FCADHL CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1cnc(-c2nnn[n-]2)cn1 ZINC001577617812 1274594958 /nfs/dbraw/zinc/59/49/58/1274594958.db2.gz LMSFGBCBVNSAKF-UHFFFAOYSA-N -2 3 372.393 0.040 20 0 FCADHL CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1cnc(-c2nn[n-]n2)cn1 ZINC001577617812 1274594959 /nfs/dbraw/zinc/59/49/59/1274594959.db2.gz LMSFGBCBVNSAKF-UHFFFAOYSA-N -2 3 372.393 0.040 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1ccc(-c2nnn[n-]2)cn1 ZINC001578101476 1275404363 /nfs/dbraw/zinc/40/43/63/1275404363.db2.gz DQBMDDMQKPCFKI-UHFFFAOYSA-N -2 3 354.374 0.619 20 0 FCADHL CCN(CCNc1ccc(-c2nnn[n-]2)cn1)C(=O)c1ncccc1[O-] ZINC001578115874 1275418047 /nfs/dbraw/zinc/41/80/47/1275418047.db2.gz BARWDDUYUJQWHJ-UHFFFAOYSA-N -2 3 354.374 0.937 20 0 FCADHL CCn1[n-]nnc1=NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001578838318 1276356705 /nfs/dbraw/zinc/35/67/05/1276356705.db2.gz LMIAIIXJTMMIJA-UHFFFAOYSA-N -2 3 365.361 0.041 20 0 FCADHL CCn1[n-]nnc1=NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001578838318 1276356710 /nfs/dbraw/zinc/35/67/10/1276356710.db2.gz LMIAIIXJTMMIJA-UHFFFAOYSA-N -2 3 365.361 0.041 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581058371 1279302990 /nfs/dbraw/zinc/30/29/90/1279302990.db2.gz NUEGLBMZBPDRNF-SECBINFHSA-N -2 3 371.405 0.562 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581094549 1279370006 /nfs/dbraw/zinc/37/00/06/1279370006.db2.gz WAAMNQMMWQTZLW-QMMMGPOBSA-N -2 3 357.378 0.538 20 0 FCADHL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)nc1 ZINC001603395462 1287367137 /nfs/dbraw/zinc/36/71/37/1287367137.db2.gz ORLMBTPETWZRKF-UHFFFAOYSA-N -2 3 373.398 0.899 20 0 FCADHL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)nc1 ZINC001603395462 1287367146 /nfs/dbraw/zinc/36/71/46/1287367146.db2.gz ORLMBTPETWZRKF-UHFFFAOYSA-N -2 3 373.398 0.899 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609241288 1289015109 /nfs/dbraw/zinc/01/51/09/1289015109.db2.gz MUPKVFFKZBQEAE-UHFFFAOYSA-N -2 3 368.781 0.221 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609241288 1289015112 /nfs/dbraw/zinc/01/51/12/1289015112.db2.gz MUPKVFFKZBQEAE-UHFFFAOYSA-N -2 3 368.781 0.221 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)c1[O-] ZINC001581390640 1279819716 /nfs/dbraw/zinc/81/97/16/1279819716.db2.gz ALCFGBOUHFPHOD-RNFRBKRXSA-N -2 3 358.366 0.013 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)c1[O-] ZINC001581391697 1279821690 /nfs/dbraw/zinc/82/16/90/1279821690.db2.gz NCWLBGMNBWYPRJ-ZETCQYMHSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581391542 1279821801 /nfs/dbraw/zinc/82/18/01/1279821801.db2.gz KPHGYMJTXCZHBZ-SECBINFHSA-N -2 3 355.362 0.008 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)c1[O-] ZINC001581391375 1279821998 /nfs/dbraw/zinc/82/19/98/1279821998.db2.gz IDZVAZCUAPRCBD-SECBINFHSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1[O-] ZINC001581391841 1279823966 /nfs/dbraw/zinc/82/39/66/1279823966.db2.gz YFUSZNDVZILJCE-MRXNPFEDSA-N -2 3 369.389 0.398 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1[O-] ZINC001581391841 1279823978 /nfs/dbraw/zinc/82/39/78/1279823978.db2.gz YFUSZNDVZILJCE-MRXNPFEDSA-N -2 3 369.389 0.398 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581391983 1279824036 /nfs/dbraw/zinc/82/40/36/1279824036.db2.gz RBJMHZAGGVMGMG-MRVPVSSYSA-N -2 3 357.378 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1[O-] ZINC001581391971 1279824116 /nfs/dbraw/zinc/82/41/16/1279824116.db2.gz QKDKWILTFZJZGQ-JTQLQIEISA-N -2 3 369.389 0.255 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1[O-] ZINC001581391971 1279824120 /nfs/dbraw/zinc/82/41/20/1279824120.db2.gz QKDKWILTFZJZGQ-JTQLQIEISA-N -2 3 369.389 0.255 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581392203 1279825659 /nfs/dbraw/zinc/82/56/59/1279825659.db2.gz ZTSMXMIMYSUBFH-AOOOYVTPSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1nsc(N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)c1-c1nnn[n-]1 ZINC001581674730 1280383552 /nfs/dbraw/zinc/38/35/52/1280383552.db2.gz KQWZPKMJWDVJIX-SECBINFHSA-N -2 3 372.414 0.741 20 0 FCADHL Cc1nsc(N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)c1-c1nn[n-]n1 ZINC001581674730 1280383557 /nfs/dbraw/zinc/38/35/57/1280383557.db2.gz KQWZPKMJWDVJIX-SECBINFHSA-N -2 3 372.414 0.741 20 0 FCADHL C[C@@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1cccc(-c2nnn[n-]2)c1 ZINC001603622987 1287448806 /nfs/dbraw/zinc/44/88/06/1287448806.db2.gz PIOGHTCQQDGZNH-OMXAPOSASA-N -2 3 372.385 0.670 20 0 FCADHL C[C@@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1cccc(-c2nn[n-]n2)c1 ZINC001603622987 1287448811 /nfs/dbraw/zinc/44/88/11/1287448811.db2.gz PIOGHTCQQDGZNH-OMXAPOSASA-N -2 3 372.385 0.670 20 0 FCADHL O=C(CCCn1c(=O)[n-][nH]c1=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001582048713 1280970572 /nfs/dbraw/zinc/97/05/72/1280970572.db2.gz JRKOPBJCPCXERF-UHFFFAOYSA-N -2 3 362.325 0.105 20 0 FCADHL O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582257793 1281219326 /nfs/dbraw/zinc/21/93/26/1281219326.db2.gz WYXMISJBDJBLJU-UHFFFAOYSA-N -2 3 366.385 0.983 20 0 FCADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])N1CCOCC1 ZINC001603722176 1287480908 /nfs/dbraw/zinc/48/09/08/1287480908.db2.gz JOPUZKNKPMWJDP-SNVBAGLBSA-N -2 3 363.461 0.476 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603751134 1287487120 /nfs/dbraw/zinc/48/71/20/1287487120.db2.gz ALDGLHQPCPSDSX-FZMZJTMJSA-N -2 3 369.378 0.928 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001603751517 1287487579 /nfs/dbraw/zinc/48/75/79/1287487579.db2.gz IKBUQGBCQLUOEB-HNNXBMFYSA-N -2 3 362.321 0.268 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001603751517 1287487582 /nfs/dbraw/zinc/48/75/82/1287487582.db2.gz IKBUQGBCQLUOEB-HNNXBMFYSA-N -2 3 362.321 0.268 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001603752733 1287487655 /nfs/dbraw/zinc/48/76/55/1287487655.db2.gz XUZSSQPFJCHFGJ-CQSZACIVSA-N -2 3 369.378 0.632 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001603752733 1287487659 /nfs/dbraw/zinc/48/76/59/1287487659.db2.gz XUZSSQPFJCHFGJ-CQSZACIVSA-N -2 3 369.378 0.632 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603751135 1287487828 /nfs/dbraw/zinc/48/78/28/1287487828.db2.gz ALDGLHQPCPSDSX-RISCZKNCSA-N -2 3 369.378 0.928 20 0 FCADHL O=C(NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CCC1)c1ccccc1[O-] ZINC001582397724 1281461775 /nfs/dbraw/zinc/46/17/75/1281461775.db2.gz XXKGHWAERWVTFP-UHFFFAOYSA-N -2 3 366.385 0.549 20 0 FCADHL CC(C)CN1CCO[C@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC001603816707 1287507978 /nfs/dbraw/zinc/50/79/78/1287507978.db2.gz VXCSNGVCVSXKAA-SNVBAGLBSA-N -2 3 363.461 0.476 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC001603845767 1287516273 /nfs/dbraw/zinc/51/62/73/1287516273.db2.gz MGOZRMNPCXVTQP-BREBYQMCSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC001603845767 1287516280 /nfs/dbraw/zinc/51/62/80/1287516280.db2.gz MGOZRMNPCXVTQP-BREBYQMCSA-N -2 3 365.415 0.626 20 0 FCADHL O=C(NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ncccc1[O-] ZINC001582515359 1281699249 /nfs/dbraw/zinc/69/92/49/1281699249.db2.gz NPPDKNFPDOFSCQ-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001582751307 1281976806 /nfs/dbraw/zinc/97/68/06/1281976806.db2.gz AQRCACCWZJBAKV-UHFFFAOYSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001582751307 1281976809 /nfs/dbraw/zinc/97/68/09/1281976809.db2.gz AQRCACCWZJBAKV-UHFFFAOYSA-N -2 3 367.373 0.474 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC[C@H]1C(=O)[O-] ZINC001603939938 1287539516 /nfs/dbraw/zinc/53/95/16/1287539516.db2.gz XVQLQZSJOZJUGD-JOYOIKCWSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC[C@H]1C(=O)[O-] ZINC001603939938 1287539522 /nfs/dbraw/zinc/53/95/22/1287539522.db2.gz XVQLQZSJOZJUGD-JOYOIKCWSA-N -2 3 351.388 0.598 20 0 FCADHL O=c1cc(CN[C@H](c2ncccn2)C2CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814809 1282036191 /nfs/dbraw/zinc/03/61/91/1282036191.db2.gz SREPIJABLIMNMC-ZDUSSCGKSA-N -2 3 364.373 0.646 20 0 FCADHL O=c1cc(CN2CCS[C@@H]3COCC[C@H]32)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814789 1282036872 /nfs/dbraw/zinc/03/68/72/1282036872.db2.gz SFGDRNLXFNYGTN-VXGBXAGGSA-N -2 3 374.430 0.321 20 0 FCADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001603971269 1287545995 /nfs/dbraw/zinc/54/59/95/1287545995.db2.gz IUZZTYGMVOJBFB-JTQLQIEISA-N -2 3 367.368 0.697 20 0 FCADHL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(-c3nn[n-]n3)cc2OC)C1=O ZINC001604084645 1287568575 /nfs/dbraw/zinc/56/85/75/1287568575.db2.gz SHZBDDJWECNGNN-OAHLLOKOSA-N -2 3 359.346 0.241 20 0 FCADHL C[C@](CO)([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC001604198256 1287586375 /nfs/dbraw/zinc/58/63/75/1287586375.db2.gz DRQAXHPXGBYYTD-SNVBAGLBSA-N -2 3 361.269 0.838 20 0 FCADHL C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588937365 1282735988 /nfs/dbraw/zinc/73/59/88/1282735988.db2.gz ZAPDAEKSYBGRFF-ZETCQYMHSA-N -2 3 358.811 0.739 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001589025069 1282773511 /nfs/dbraw/zinc/77/35/11/1282773511.db2.gz JXPSPYPUGGVOJZ-SECBINFHSA-N -2 3 351.388 0.349 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001589025069 1282773517 /nfs/dbraw/zinc/77/35/17/1282773517.db2.gz JXPSPYPUGGVOJZ-SECBINFHSA-N -2 3 351.388 0.349 20 0 FCADHL CC(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001589619726 1282914356 /nfs/dbraw/zinc/91/43/56/1282914356.db2.gz NJVXRNRNXCYSLA-UHFFFAOYSA-N -2 3 357.367 0.737 20 0 FCADHL CC(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001589619726 1282914367 /nfs/dbraw/zinc/91/43/67/1282914367.db2.gz NJVXRNRNXCYSLA-UHFFFAOYSA-N -2 3 357.367 0.737 20 0 FCADHL CC(C)N(CCC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001589682614 1282945645 /nfs/dbraw/zinc/94/56/45/1282945645.db2.gz UNROQSRGIATIDB-UHFFFAOYSA-N -2 3 353.404 0.882 20 0 FCADHL CC(C)N(CCC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001589682614 1282945654 /nfs/dbraw/zinc/94/56/54/1282945654.db2.gz UNROQSRGIATIDB-UHFFFAOYSA-N -2 3 353.404 0.882 20 0 FCADHL CC(C)Oc1ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001589756779 1282982580 /nfs/dbraw/zinc/98/25/80/1282982580.db2.gz SEKFPBBHRGZZJD-OAHLLOKOSA-N -2 3 364.362 0.611 20 0 FCADHL CC(C)Oc1ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001589756779 1282982595 /nfs/dbraw/zinc/98/25/95/1282982595.db2.gz SEKFPBBHRGZZJD-OAHLLOKOSA-N -2 3 364.362 0.611 20 0 FCADHL CC(C)c1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)n1 ZINC001589769392 1282992855 /nfs/dbraw/zinc/99/28/55/1282992855.db2.gz JKCRIYUCMKZQPJ-UHFFFAOYSA-N -2 3 373.398 0.899 20 0 FCADHL CC(C)c1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)n1 ZINC001589769392 1282992870 /nfs/dbraw/zinc/99/28/70/1282992870.db2.gz JKCRIYUCMKZQPJ-UHFFFAOYSA-N -2 3 373.398 0.899 20 0 FCADHL C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001589973964 1283151070 /nfs/dbraw/zinc/15/10/70/1283151070.db2.gz KLSUJTBQJSKMNP-RQJHMYQMSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590071029 1283202042 /nfs/dbraw/zinc/20/20/42/1283202042.db2.gz FWOZAAJDILUCIR-PELKAZGASA-N -2 3 357.417 0.850 20 0 FCADHL CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001590086254 1283208095 /nfs/dbraw/zinc/20/80/95/1283208095.db2.gz YKKJZPAEODPVMA-GFCCVEGCSA-N -2 3 365.415 0.423 20 0 FCADHL CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001590086254 1283208104 /nfs/dbraw/zinc/20/81/04/1283208104.db2.gz YKKJZPAEODPVMA-GFCCVEGCSA-N -2 3 365.415 0.423 20 0 FCADHL CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2csc(-c3nnn[n-]3)c2)CO1 ZINC001590085554 1283208566 /nfs/dbraw/zinc/20/85/66/1283208566.db2.gz SHPBBAIAVNXUMW-MRVPVSSYSA-N -2 3 357.417 0.555 20 0 FCADHL CC1(C)OC[C@@H]2C[C@@]21C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590118080 1283226692 /nfs/dbraw/zinc/22/66/92/1283226692.db2.gz KMLDMYMMGNQONB-BONVTDFDSA-N -2 3 363.399 0.487 20 0 FCADHL CC1(C)OC[C@@H]2C[C@@]21C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590118080 1283226698 /nfs/dbraw/zinc/22/66/98/1283226698.db2.gz KMLDMYMMGNQONB-BONVTDFDSA-N -2 3 363.399 0.487 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590165138 1283258304 /nfs/dbraw/zinc/25/83/04/1283258304.db2.gz JPZQGIAIZJVUQE-CABZTGNLSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590165138 1283258310 /nfs/dbraw/zinc/25/83/10/1283258310.db2.gz JPZQGIAIZJVUQE-CABZTGNLSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001590186116 1283292759 /nfs/dbraw/zinc/29/27/59/1283292759.db2.gz RTYDYSWUEFOKQB-NXEZZACHSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001590186116 1283292769 /nfs/dbraw/zinc/29/27/69/1283292769.db2.gz RTYDYSWUEFOKQB-NXEZZACHSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001590186119 1283292964 /nfs/dbraw/zinc/29/29/64/1283292964.db2.gz RTYDYSWUEFOKQB-ZJUUUORDSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001590186119 1283292970 /nfs/dbraw/zinc/29/29/70/1283292970.db2.gz RTYDYSWUEFOKQB-ZJUUUORDSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001590185223 1283293284 /nfs/dbraw/zinc/29/32/84/1283293284.db2.gz NAUBEAQCVDOCJX-WPRPVWTQSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001590185223 1283293295 /nfs/dbraw/zinc/29/32/95/1283293295.db2.gz NAUBEAQCVDOCJX-WPRPVWTQSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@@H]1C(=O)[O-] ZINC001590273012 1283400185 /nfs/dbraw/zinc/40/01/85/1283400185.db2.gz UMUYPAARUOZTEL-UFBFGSQYSA-N -2 3 369.378 0.631 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@@H]1C(=O)[O-] ZINC001590273012 1283400190 /nfs/dbraw/zinc/40/01/90/1283400190.db2.gz UMUYPAARUOZTEL-UFBFGSQYSA-N -2 3 369.378 0.631 20 0 FCADHL C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001590274631 1283400996 /nfs/dbraw/zinc/40/09/96/1283400996.db2.gz NPCAJHVTGAXMTD-IUCAKERBSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001590274631 1283401000 /nfs/dbraw/zinc/40/10/00/1283401000.db2.gz NPCAJHVTGAXMTD-IUCAKERBSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1C(=O)[O-] ZINC001590272995 1283401361 /nfs/dbraw/zinc/40/13/61/1283401361.db2.gz UIEGWAKSJLWHFD-BXKDBHETSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@H]1C(=O)[O-] ZINC001590275639 1283402388 /nfs/dbraw/zinc/40/23/88/1283402388.db2.gz FFZLEBDQIMCJML-WRWORJQWSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1C(=O)[O-] ZINC001590275721 1283402618 /nfs/dbraw/zinc/40/26/18/1283402618.db2.gz FRAAATAKZCGKEB-BXKDBHETSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1C(=O)[O-] ZINC001590275721 1283402622 /nfs/dbraw/zinc/40/26/22/1283402622.db2.gz FRAAATAKZCGKEB-BXKDBHETSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C(=O)[O-] ZINC001590275726 1283403689 /nfs/dbraw/zinc/40/36/89/1283403689.db2.gz FRAAATAKZCGKEB-SKDRFNHKSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C(=O)[O-] ZINC001590275726 1283403691 /nfs/dbraw/zinc/40/36/91/1283403691.db2.gz FRAAATAKZCGKEB-SKDRFNHKSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001590312624 1283458090 /nfs/dbraw/zinc/45/80/90/1283458090.db2.gz JTZODLDBOOUACY-PTRXPTGYSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001590312624 1283458095 /nfs/dbraw/zinc/45/80/95/1283458095.db2.gz JTZODLDBOOUACY-PTRXPTGYSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590335743 1283480239 /nfs/dbraw/zinc/48/02/39/1283480239.db2.gz OCGJTMPWLKBESG-QISWUMQESA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590335743 1283480245 /nfs/dbraw/zinc/48/02/45/1283480245.db2.gz OCGJTMPWLKBESG-QISWUMQESA-N -2 3 365.415 0.731 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC)CC(=O)[O-] ZINC001590446104 1283542233 /nfs/dbraw/zinc/54/22/33/1283542233.db2.gz GIFRVHXSKQSTRP-SECBINFHSA-N -2 3 369.403 0.655 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC)CC(=O)[O-] ZINC001590446104 1283542243 /nfs/dbraw/zinc/54/22/43/1283542243.db2.gz GIFRVHXSKQSTRP-SECBINFHSA-N -2 3 369.403 0.655 20 0 FCADHL CC[C@@H](CS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1)OC ZINC001590446648 1283542678 /nfs/dbraw/zinc/54/26/78/1283542678.db2.gz FDENXDDNGVGCQE-VIFPVBQESA-N -2 3 357.440 0.985 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c(C)o1 ZINC001604548506 1287654855 /nfs/dbraw/zinc/65/48/55/1287654855.db2.gz AHPNHJJWABMPRB-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c(C)o1 ZINC001604548506 1287654860 /nfs/dbraw/zinc/65/48/60/1287654860.db2.gz AHPNHJJWABMPRB-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001590611813 1283648112 /nfs/dbraw/zinc/64/81/12/1283648112.db2.gz PUBSIRAEMISNLZ-SNVBAGLBSA-N -2 3 353.404 0.880 20 0 FCADHL CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001590611813 1283648128 /nfs/dbraw/zinc/64/81/28/1283648128.db2.gz PUBSIRAEMISNLZ-SNVBAGLBSA-N -2 3 353.404 0.880 20 0 FCADHL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001590680987 1283728026 /nfs/dbraw/zinc/72/80/26/1283728026.db2.gz OGUGCKSBGAIYKI-JTQLQIEISA-N -2 3 353.404 0.906 20 0 FCADHL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001590680987 1283728030 /nfs/dbraw/zinc/72/80/30/1283728030.db2.gz OGUGCKSBGAIYKI-JTQLQIEISA-N -2 3 353.404 0.906 20 0 FCADHL CCOC(=O)C1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001590754413 1283811845 /nfs/dbraw/zinc/81/18/45/1283811845.db2.gz WDOSSYBMRYTTSL-UHFFFAOYSA-N -2 3 361.358 0.637 20 0 FCADHL CCOC(=O)C1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001590754413 1283811850 /nfs/dbraw/zinc/81/18/50/1283811850.db2.gz WDOSSYBMRYTTSL-UHFFFAOYSA-N -2 3 361.358 0.637 20 0 FCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001590831094 1283911406 /nfs/dbraw/zinc/91/14/06/1283911406.db2.gz RZKOUEBETLZTGR-GFCCVEGCSA-N -2 3 362.346 0.583 20 0 FCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590845432 1283916906 /nfs/dbraw/zinc/91/69/06/1283916906.db2.gz IATDCEXQBWSSFK-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590845432 1283916910 /nfs/dbraw/zinc/91/69/10/1283916910.db2.gz IATDCEXQBWSSFK-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CCS[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(C)C ZINC001590851789 1283926970 /nfs/dbraw/zinc/92/69/70/1283926970.db2.gz QPRXAOBLSZHBHW-LLVKDONJSA-N -2 3 370.460 0.844 20 0 FCADHL CCS[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(C)C ZINC001590851789 1283926975 /nfs/dbraw/zinc/92/69/75/1283926975.db2.gz QPRXAOBLSZHBHW-LLVKDONJSA-N -2 3 370.460 0.844 20 0 FCADHL CCc1cc(=O)n2[n-]c(NC(=O)c3cc(-c4nnn[n-]4)oc3C)nc2n1 ZINC001590878569 1283944753 /nfs/dbraw/zinc/94/47/53/1283944753.db2.gz VFOHIJXEHUWDEK-UHFFFAOYSA-N -2 3 355.318 0.314 20 0 FCADHL CCn1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC001590952956 1284002448 /nfs/dbraw/zinc/00/24/48/1284002448.db2.gz CRGMPBCEPIDKAO-UHFFFAOYSA-N -2 3 369.357 0.840 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)C2(Cl)CC2)cc(-c2nnn[n-]2)c1 ZINC001591027690 1284088451 /nfs/dbraw/zinc/08/84/51/1284088451.db2.gz PRSNSOYBFACZOL-UHFFFAOYSA-N -2 3 370.822 0.721 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)C2(Cl)CC2)cc(-c2nn[n-]n2)c1 ZINC001591027690 1284088459 /nfs/dbraw/zinc/08/84/59/1284088459.db2.gz PRSNSOYBFACZOL-UHFFFAOYSA-N -2 3 370.822 0.721 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001604616382 1287690392 /nfs/dbraw/zinc/69/03/92/1287690392.db2.gz SLMYCHBJWDPJGU-LBPRGKRZSA-N -2 3 361.358 0.135 20 0 FCADHL CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)ccc1[O-] ZINC001591220005 1284361057 /nfs/dbraw/zinc/36/10/57/1284361057.db2.gz IIHHVMIJMMLFDT-UHFFFAOYSA-N -2 3 363.359 0.061 20 0 FCADHL CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)ccc1[O-] ZINC001591220005 1284361065 /nfs/dbraw/zinc/36/10/65/1284361065.db2.gz IIHHVMIJMMLFDT-UHFFFAOYSA-N -2 3 363.359 0.061 20 0 FCADHL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001591305195 1284455076 /nfs/dbraw/zinc/45/50/76/1284455076.db2.gz CWUBSHCWNFQVMG-UHFFFAOYSA-N -2 3 367.322 0.316 20 0 FCADHL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001591305195 1284455082 /nfs/dbraw/zinc/45/50/82/1284455082.db2.gz CWUBSHCWNFQVMG-UHFFFAOYSA-N -2 3 367.322 0.316 20 0 FCADHL COC(=O)c1coc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)c1 ZINC001591308179 1284459816 /nfs/dbraw/zinc/45/98/16/1284459816.db2.gz XJVKXUCEKUETSA-UHFFFAOYSA-N -2 3 353.320 0.079 20 0 FCADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1nn(C)c(C)c1-c1nnn[n-]1 ZINC001591326914 1284471525 /nfs/dbraw/zinc/47/15/25/1284471525.db2.gz IVPCCUBJTPIAMT-SNVBAGLBSA-N -2 3 357.440 0.711 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1nc2n(c1-c1nn[n-]n1)CCS2)C(C)C ZINC001591332857 1284475224 /nfs/dbraw/zinc/47/52/24/1284475224.db2.gz FLBKBIHAEKRAHP-MRVPVSSYSA-N -2 3 373.464 0.582 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@](C)(C(=O)[O-])C1 ZINC001591361568 1284497911 /nfs/dbraw/zinc/49/79/11/1284497911.db2.gz NKLUBEACGOGFLR-MADCSZMMSA-N -2 3 373.416 0.181 20 0 FCADHL COCCCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001591413536 1284560154 /nfs/dbraw/zinc/56/01/54/1284560154.db2.gz QXDZBLUYLYDXLC-UHFFFAOYSA-N -2 3 353.404 0.661 20 0 FCADHL COCCCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001591413536 1284560163 /nfs/dbraw/zinc/56/01/63/1284560163.db2.gz QXDZBLUYLYDXLC-UHFFFAOYSA-N -2 3 353.404 0.661 20 0 FCADHL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001591421158 1284571034 /nfs/dbraw/zinc/57/10/34/1284571034.db2.gz SATJEVNJZUZGRK-MRVPVSSYSA-N -2 3 373.366 0.116 20 0 FCADHL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001604670856 1287722288 /nfs/dbraw/zinc/72/22/88/1287722288.db2.gz WTTHOAZLLWEUKX-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001604670856 1287722298 /nfs/dbraw/zinc/72/22/98/1287722298.db2.gz WTTHOAZLLWEUKX-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001591493015 1284669564 /nfs/dbraw/zinc/66/95/64/1284669564.db2.gz HCVDYIRANKEFAM-QLJPJBMISA-N -2 3 374.357 0.440 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001591493015 1284669573 /nfs/dbraw/zinc/66/95/73/1284669573.db2.gz HCVDYIRANKEFAM-QLJPJBMISA-N -2 3 374.357 0.440 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001591496532 1284673368 /nfs/dbraw/zinc/67/33/68/1284673368.db2.gz CYEVPNAKJZNSBF-ONGXEEELSA-N -2 3 361.358 0.576 20 0 FCADHL COc1ccc(CCS(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)cc1 ZINC001591585877 1284752445 /nfs/dbraw/zinc/75/24/45/1284752445.db2.gz GEKPVRJSAGYDRZ-UHFFFAOYSA-N -2 3 363.403 0.891 20 0 FCADHL COc1ccc(CCS(=O)(=O)[N-]c2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001591585877 1284752450 /nfs/dbraw/zinc/75/24/50/1284752450.db2.gz GEKPVRJSAGYDRZ-UHFFFAOYSA-N -2 3 363.403 0.891 20 0 FCADHL CSCCO[N-]C(=O)C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001591701504 1284841295 /nfs/dbraw/zinc/84/12/95/1284841295.db2.gz RZSKJOJOFFAOTM-GFCCVEGCSA-N -2 3 362.415 0.381 20 0 FCADHL CSCCO[N-]C(=O)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001591701504 1284841299 /nfs/dbraw/zinc/84/12/99/1284841299.db2.gz RZSKJOJOFFAOTM-GFCCVEGCSA-N -2 3 362.415 0.381 20 0 FCADHL CSc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cc1-c1nnn[n-]1 ZINC001591709891 1284848427 /nfs/dbraw/zinc/84/84/27/1284848427.db2.gz GGJPYGCTHWPXDC-GHMZBOCLSA-N -2 3 363.399 0.837 20 0 FCADHL CSc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cc1-c1nn[n-]n1 ZINC001591709891 1284848434 /nfs/dbraw/zinc/84/84/34/1284848434.db2.gz GGJPYGCTHWPXDC-GHMZBOCLSA-N -2 3 363.399 0.837 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1CC(=O)[O-] ZINC001591745934 1284873363 /nfs/dbraw/zinc/87/33/63/1284873363.db2.gz RQTOIYSEHZPZRJ-MWLCHTKSSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1CC(=O)[O-] ZINC001591745934 1284873380 /nfs/dbraw/zinc/87/33/80/1284873380.db2.gz RQTOIYSEHZPZRJ-MWLCHTKSSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591752178 1284879640 /nfs/dbraw/zinc/87/96/40/1284879640.db2.gz ANTHBFNMFOXBLD-MWLCHTKSSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591752178 1284879649 /nfs/dbraw/zinc/87/96/49/1284879649.db2.gz ANTHBFNMFOXBLD-MWLCHTKSSA-N -2 3 351.388 0.741 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)cccc1-c1nnn[n-]1 ZINC001591810334 1284921550 /nfs/dbraw/zinc/92/15/50/1284921550.db2.gz PPTCSPATSMGEQP-NSHDSACASA-N -2 3 365.415 0.804 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)cccc1-c1nn[n-]n1 ZINC001591810334 1284921556 /nfs/dbraw/zinc/92/15/56/1284921556.db2.gz PPTCSPATSMGEQP-NSHDSACASA-N -2 3 365.415 0.804 20 0 FCADHL Cc1c(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cccc1-c1nnn[n-]1 ZINC001591824229 1284929987 /nfs/dbraw/zinc/92/99/87/1284929987.db2.gz NQZPKRPJFYJITN-ONGXEEELSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cccc1-c1nn[n-]n1 ZINC001591824229 1284929991 /nfs/dbraw/zinc/92/99/91/1284929991.db2.gz NQZPKRPJFYJITN-ONGXEEELSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)CC(C)(C)C(=O)[O-] ZINC001591873955 1284962238 /nfs/dbraw/zinc/96/22/38/1284962238.db2.gz WKPYIEORNNOGLA-UHFFFAOYSA-N -2 3 353.404 0.906 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)CC(C)(C)C(=O)[O-] ZINC001591873955 1284962247 /nfs/dbraw/zinc/96/22/47/1284962247.db2.gz WKPYIEORNNOGLA-UHFFFAOYSA-N -2 3 353.404 0.906 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)ncc1-c1nnn[n-]1 ZINC001591929616 1285016546 /nfs/dbraw/zinc/01/65/46/1285016546.db2.gz HEHCXQPORAUWKK-SNVBAGLBSA-N -2 3 366.403 0.199 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)ncc1-c1nn[n-]n1 ZINC001591929616 1285016550 /nfs/dbraw/zinc/01/65/50/1285016550.db2.gz HEHCXQPORAUWKK-SNVBAGLBSA-N -2 3 366.403 0.199 20 0 FCADHL Cc1cc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)ccc1-c1nnn[n-]1 ZINC001592065400 1285105934 /nfs/dbraw/zinc/10/59/34/1285105934.db2.gz IZHBMLXPVHEZHV-UHFFFAOYSA-N -2 3 351.388 0.708 20 0 FCADHL Cc1cc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)ccc1-c1nn[n-]n1 ZINC001592065400 1285105943 /nfs/dbraw/zinc/10/59/43/1285105943.db2.gz IZHBMLXPVHEZHV-UHFFFAOYSA-N -2 3 351.388 0.708 20 0 FCADHL Cc1cc(S(=O)(=O)NCc2cc(C(=O)[O-])co2)ccc1-c1nnn[n-]1 ZINC001592066471 1285107069 /nfs/dbraw/zinc/10/70/69/1285107069.db2.gz YUZXBBCRTQLFMW-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1cc(S(=O)(=O)NCc2cc(C(=O)[O-])co2)ccc1-c1nn[n-]n1 ZINC001592066471 1285107078 /nfs/dbraw/zinc/10/70/78/1285107078.db2.gz YUZXBBCRTQLFMW-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001592101649 1285137737 /nfs/dbraw/zinc/13/77/37/1285137737.db2.gz AWARJSDEFCYNKO-LBPRGKRZSA-N -2 3 374.401 0.977 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001592101649 1285137744 /nfs/dbraw/zinc/13/77/44/1285137744.db2.gz AWARJSDEFCYNKO-LBPRGKRZSA-N -2 3 374.401 0.977 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C ZINC001592109728 1285145030 /nfs/dbraw/zinc/14/50/30/1285145030.db2.gz ZNGNORQAJQXDQV-LLVKDONJSA-N -3 3 367.387 0.337 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C ZINC001592109728 1285145035 /nfs/dbraw/zinc/14/50/35/1285145035.db2.gz ZNGNORQAJQXDQV-LLVKDONJSA-N -3 3 367.387 0.337 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1-c1nnn[n-]1 ZINC001592234549 1285190881 /nfs/dbraw/zinc/19/08/81/1285190881.db2.gz VYNXOPXUCKQPFN-LLVKDONJSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1-c1nn[n-]n1 ZINC001592234549 1285190883 /nfs/dbraw/zinc/19/08/83/1285190883.db2.gz VYNXOPXUCKQPFN-LLVKDONJSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592412670 1285328104 /nfs/dbraw/zinc/32/81/04/1285328104.db2.gz IXXGXUXFGIQKCV-GFCCVEGCSA-N -2 3 366.403 0.588 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592412670 1285328110 /nfs/dbraw/zinc/32/81/10/1285328110.db2.gz IXXGXUXFGIQKCV-GFCCVEGCSA-N -2 3 366.403 0.588 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1-c1nnn[n-]1 ZINC001592412294 1285329289 /nfs/dbraw/zinc/32/92/89/1285329289.db2.gz HIPHYIZQNKJVKE-CYBMUJFWSA-N -2 3 352.376 0.055 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001592412294 1285329301 /nfs/dbraw/zinc/32/93/01/1285329301.db2.gz HIPHYIZQNKJVKE-CYBMUJFWSA-N -2 3 352.376 0.055 20 0 FCADHL Cn1c2ccc(S(=O)(=O)[N-]c3ncccc3-c3nnn[n-]3)cc2oc1=O ZINC001592545851 1285452522 /nfs/dbraw/zinc/45/25/22/1285452522.db2.gz FXGQZQRSXSHAQQ-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL Cn1c2ccc(S(=O)(=O)[N-]c3ncccc3-c3nn[n-]n3)cc2oc1=O ZINC001592545851 1285452533 /nfs/dbraw/zinc/45/25/33/1285452533.db2.gz FXGQZQRSXSHAQQ-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001592570325 1285485701 /nfs/dbraw/zinc/48/57/01/1285485701.db2.gz PWCJXXCTIZMWHK-GHMZBOCLSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001592570325 1285485707 /nfs/dbraw/zinc/48/57/07/1285485707.db2.gz PWCJXXCTIZMWHK-GHMZBOCLSA-N -2 3 354.374 0.690 20 0 FCADHL CCc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)[nH]n1 ZINC001609250865 1289019680 /nfs/dbraw/zinc/01/96/80/1289019680.db2.gz GJCWKRCYTUHJJS-UHFFFAOYSA-N -2 3 361.387 0.412 20 0 FCADHL CCc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[nH]n1 ZINC001609250865 1289019689 /nfs/dbraw/zinc/01/96/89/1289019689.db2.gz GJCWKRCYTUHJJS-UHFFFAOYSA-N -2 3 361.387 0.412 20 0 FCADHL CCn1cc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001609258511 1289025278 /nfs/dbraw/zinc/02/52/78/1289025278.db2.gz BWWGNOLYPSSPRY-UHFFFAOYSA-N -2 3 361.387 0.131 20 0 FCADHL CCn1cc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001609258511 1289025284 /nfs/dbraw/zinc/02/52/84/1289025284.db2.gz BWWGNOLYPSSPRY-UHFFFAOYSA-N -2 3 361.387 0.131 20 0 FCADHL O=C(CCc1cncnc1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592855874 1285759577 /nfs/dbraw/zinc/75/95/77/1285759577.db2.gz CKDIRRZKWGWFLM-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CCc1cncnc1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592855874 1285759579 /nfs/dbraw/zinc/75/95/79/1285759579.db2.gz CKDIRRZKWGWFLM-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1cccc(F)c1[O-] ZINC001592859755 1285763087 /nfs/dbraw/zinc/76/30/87/1285763087.db2.gz XUMATOKENVANAL-UHFFFAOYSA-N -2 3 361.293 0.003 20 0 FCADHL O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1cccc(F)c1[O-] ZINC001592859755 1285763093 /nfs/dbraw/zinc/76/30/93/1285763093.db2.gz XUMATOKENVANAL-UHFFFAOYSA-N -2 3 361.293 0.003 20 0 FCADHL O=C(CNC(=O)OCC(F)(F)F)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592870607 1285778108 /nfs/dbraw/zinc/77/81/08/1285778108.db2.gz QHFBSKSLCQEDIR-UHFFFAOYSA-N -2 3 360.252 0.565 20 0 FCADHL O=C(CNC(=O)OCC(F)(F)F)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592870607 1285778113 /nfs/dbraw/zinc/77/81/13/1285778113.db2.gz QHFBSKSLCQEDIR-UHFFFAOYSA-N -2 3 360.252 0.565 20 0 FCADHL O=C(NC1CCC(Oc2ncccc2-c2nnn[n-]2)CC1)c1n[nH]c(=O)[n-]1 ZINC001592974541 1285857482 /nfs/dbraw/zinc/85/74/82/1285857482.db2.gz IPMMQSRGOCRCET-UHFFFAOYSA-N -2 3 371.361 0.205 20 0 FCADHL O=C(NCCc1n[n-]c(=S)o1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001593106664 1286007219 /nfs/dbraw/zinc/00/72/19/1286007219.db2.gz BVYNANIZWWUYPS-UHFFFAOYSA-N -2 3 353.314 0.789 20 0 FCADHL O=C(NCCc1n[n-]c(=S)o1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593106664 1286007227 /nfs/dbraw/zinc/00/72/27/1286007227.db2.gz BVYNANIZWWUYPS-UHFFFAOYSA-N -2 3 353.314 0.789 20 0 FCADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1csc(-c2nn[n-]n2)c1 ZINC001593153407 1286024436 /nfs/dbraw/zinc/02/44/36/1286024436.db2.gz FHFABWXAVUDFIZ-UHFFFAOYSA-N -2 3 361.387 0.828 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC1(F)F ZINC001593172723 1286026813 /nfs/dbraw/zinc/02/68/13/1286026813.db2.gz NYQIJDZVBAXDBC-QMMMGPOBSA-N -2 3 361.305 0.607 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CC1(F)F ZINC001593172723 1286026817 /nfs/dbraw/zinc/02/68/17/1286026817.db2.gz NYQIJDZVBAXDBC-QMMMGPOBSA-N -2 3 361.305 0.607 20 0 FCADHL O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001593272285 1286055478 /nfs/dbraw/zinc/05/54/78/1286055478.db2.gz AAEWSLJVCFPZMA-IONNQARKSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001593272285 1286055481 /nfs/dbraw/zinc/05/54/81/1286055481.db2.gz AAEWSLJVCFPZMA-IONNQARKSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCOC1 ZINC001593272842 1286056913 /nfs/dbraw/zinc/05/69/13/1286056913.db2.gz COEDPMWLRTYCKW-GFCCVEGCSA-N -2 3 373.778 0.042 20 0 FCADHL O=C([O-])[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCOC1 ZINC001593272842 1286056915 /nfs/dbraw/zinc/05/69/15/1286056915.db2.gz COEDPMWLRTYCKW-GFCCVEGCSA-N -2 3 373.778 0.042 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001593273378 1286057330 /nfs/dbraw/zinc/05/73/30/1286057330.db2.gz FZJVGVQFQAVPSY-SECBINFHSA-N -2 3 355.351 0.242 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001593273378 1286057333 /nfs/dbraw/zinc/05/73/33/1286057333.db2.gz FZJVGVQFQAVPSY-SECBINFHSA-N -2 3 355.351 0.242 20 0 FCADHL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(F)F ZINC001593277463 1286060097 /nfs/dbraw/zinc/06/00/97/1286060097.db2.gz ZLXURNIQPYBCPP-RXMQYKEDSA-N -2 3 367.359 0.563 20 0 FCADHL O=C([O-])[C@]12CC[C@H]1CN(S(=O)(=O)c1cc(F)cc(-c3nnn[n-]3)c1)C2 ZINC001593278957 1286061856 /nfs/dbraw/zinc/06/18/56/1286061856.db2.gz ISMPFZMFFMKJDC-XPTSAGLGSA-N -2 3 367.362 0.491 20 0 FCADHL O=C([O-])[C@]12CC[C@H]1CN(S(=O)(=O)c1cc(F)cc(-c3nn[n-]n3)c1)C2 ZINC001593278957 1286061860 /nfs/dbraw/zinc/06/18/60/1286061860.db2.gz ISMPFZMFFMKJDC-XPTSAGLGSA-N -2 3 367.362 0.491 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CCCN2S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593279220 1286061991 /nfs/dbraw/zinc/06/19/91/1286061991.db2.gz XWFOLDOPIUUDJR-DOMZBBRYSA-N -2 3 363.399 0.636 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CCCN2S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593279220 1286061995 /nfs/dbraw/zinc/06/19/95/1286061995.db2.gz XWFOLDOPIUUDJR-DOMZBBRYSA-N -2 3 363.399 0.636 20 0 FCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001593307234 1286069400 /nfs/dbraw/zinc/06/94/00/1286069400.db2.gz OZVKLDMCNRFOLP-UHFFFAOYSA-N -2 3 353.302 0.233 20 0 FCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001593307234 1286069402 /nfs/dbraw/zinc/06/94/02/1286069402.db2.gz OZVKLDMCNRFOLP-UHFFFAOYSA-N -2 3 353.302 0.233 20 0 FCADHL O=C([N-]CC1CN(C(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001593341726 1286087125 /nfs/dbraw/zinc/08/71/25/1286087125.db2.gz PIMPACDAAGBVKI-UHFFFAOYSA-N -2 3 372.282 0.756 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CCC(=O)C1 ZINC001593388031 1286107535 /nfs/dbraw/zinc/10/75/35/1286107535.db2.gz FMTWODOOIMDXFC-SECBINFHSA-N -2 3 367.362 0.321 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CCC(=O)C1 ZINC001593388031 1286107540 /nfs/dbraw/zinc/10/75/40/1286107540.db2.gz FMTWODOOIMDXFC-SECBINFHSA-N -2 3 367.362 0.321 20 0 FCADHL O=C1c2ccccc2CCN1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593413982 1286137487 /nfs/dbraw/zinc/13/74/87/1286137487.db2.gz FRZBQKHJCNUKBK-UHFFFAOYSA-N -2 3 370.394 0.759 20 0 FCADHL O=C1c2ccccc2CCN1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593413982 1286137493 /nfs/dbraw/zinc/13/74/93/1286137493.db2.gz FRZBQKHJCNUKBK-UHFFFAOYSA-N -2 3 370.394 0.759 20 0 FCADHL O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593445104 1286159509 /nfs/dbraw/zinc/15/95/09/1286159509.db2.gz IOWDARGFEGAQCI-UHFFFAOYSA-N -2 3 374.382 0.840 20 0 FCADHL O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593445104 1286159512 /nfs/dbraw/zinc/15/95/12/1286159512.db2.gz IOWDARGFEGAQCI-UHFFFAOYSA-N -2 3 374.382 0.840 20 0 FCADHL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609288741 1289055299 /nfs/dbraw/zinc/05/52/99/1289055299.db2.gz JSIVWCXGKPFINA-UHFFFAOYSA-N -2 3 362.375 0.059 20 0 FCADHL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609288741 1289055308 /nfs/dbraw/zinc/05/53/08/1289055308.db2.gz JSIVWCXGKPFINA-UHFFFAOYSA-N -2 3 362.375 0.059 20 0 FCADHL O=c1cc(CN2C[C@H](O)Cc3ccccc32)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593538757 1286198582 /nfs/dbraw/zinc/19/85/82/1286198582.db2.gz DYLQXJGLXHKCSV-GFCCVEGCSA-N -2 3 364.369 0.539 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC(CO)C1 ZINC001598723944 1286400644 /nfs/dbraw/zinc/40/06/44/1286400644.db2.gz GQZWBPGKHFPLTI-UHFFFAOYSA-N -2 3 357.384 0.118 20 0 FCADHL Cc1cccc(CN2CC[C@@H]([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])C2)c1 ZINC001600532806 1286503217 /nfs/dbraw/zinc/50/32/17/1286503217.db2.gz WPFGKQLKWDINBJ-CYBMUJFWSA-N -2 3 364.427 0.969 20 0 FCADHL 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Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001609389169 1289132994 /nfs/dbraw/zinc/13/29/94/1289132994.db2.gz QYXSWGPOGUHNGH-BXKDBHETSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001609389169 1289132996 /nfs/dbraw/zinc/13/29/96/1289132996.db2.gz QYXSWGPOGUHNGH-BXKDBHETSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC1(C(=O)[O-])CCC1 ZINC001609389258 1289133145 /nfs/dbraw/zinc/13/31/45/1289133145.db2.gz XQESEJGQUZCZSM-UHFFFAOYSA-N -2 3 351.388 0.708 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC1(C(=O)[O-])CCC1 ZINC001609389258 1289133147 /nfs/dbraw/zinc/13/31/47/1289133147.db2.gz XQESEJGQUZCZSM-UHFFFAOYSA-N -2 3 351.388 0.708 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1CSc1n[n-]c2nc(=O)c(C)nn12 ZINC001609388825 1289133206 /nfs/dbraw/zinc/13/32/06/1289133206.db2.gz RFHVSIQZVZMABA-UHFFFAOYSA-N -2 3 355.387 0.902 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1CSc1n[n-]c2nc(=O)c(C)nn12 ZINC001609388825 1289133208 /nfs/dbraw/zinc/13/32/08/1289133208.db2.gz RFHVSIQZVZMABA-UHFFFAOYSA-N -2 3 355.387 0.902 20 0 FCADHL COC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001605013599 1287836568 /nfs/dbraw/zinc/83/65/68/1287836568.db2.gz JQDCLSAIMIRWNX-UHFFFAOYSA-N -2 3 351.388 0.631 20 0 FCADHL COC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001605013599 1287836572 /nfs/dbraw/zinc/83/65/72/1287836572.db2.gz JQDCLSAIMIRWNX-UHFFFAOYSA-N -2 3 351.388 0.631 20 0 FCADHL CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001605029160 1287840526 /nfs/dbraw/zinc/84/05/26/1287840526.db2.gz IWHYSSUNURSGNK-IUCAKERBSA-N -2 3 359.358 0.991 20 0 FCADHL COCCn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C)c2)cn1 ZINC001605125083 1287891532 /nfs/dbraw/zinc/89/15/32/1287891532.db2.gz FKRFSOLDBVDRJE-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COCCn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C)c2)cn1 ZINC001605125083 1287891535 /nfs/dbraw/zinc/89/15/35/1287891535.db2.gz FKRFSOLDBVDRJE-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)cc(-c2nnn[n-]2)c1 ZINC001609405344 1289139301 /nfs/dbraw/zinc/13/93/01/1289139301.db2.gz GPGXVKCGZXMFCM-UHFFFAOYSA-N -2 3 372.385 0.827 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)cc(-c2nn[n-]n2)c1 ZINC001609405344 1289139307 /nfs/dbraw/zinc/13/93/07/1289139307.db2.gz GPGXVKCGZXMFCM-UHFFFAOYSA-N -2 3 372.385 0.827 20 0 FCADHL COc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cc(Cl)c1[O-] ZINC001605197280 1287909043 /nfs/dbraw/zinc/90/90/43/1287909043.db2.gz MFAMLFPGIUIIAJ-UHFFFAOYSA-N -2 3 364.753 0.256 20 0 FCADHL COc1cc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc(Cl)c1[O-] ZINC001605197280 1287909048 /nfs/dbraw/zinc/90/90/48/1287909048.db2.gz MFAMLFPGIUIIAJ-UHFFFAOYSA-N -2 3 364.753 0.256 20 0 FCADHL COc1ccc2[nH]nc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)c2c1 ZINC001605307930 1287923679 /nfs/dbraw/zinc/92/36/79/1287923679.db2.gz QWFJYXGGNGOEKN-UHFFFAOYSA-N -2 3 372.370 0.947 20 0 FCADHL COc1ccc2[nH]nc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)c2c1 ZINC001605307930 1287923684 /nfs/dbraw/zinc/92/36/84/1287923684.db2.gz QWFJYXGGNGOEKN-UHFFFAOYSA-N -2 3 372.370 0.947 20 0 FCADHL COc1cnc([C@H]2CCCN2C(=O)c2cccc(-c3nnn[n-]3)n2)[n-]c1=O ZINC001605340217 1287928958 /nfs/dbraw/zinc/92/89/58/1287928958.db2.gz OBNZWOGPEJBNCO-LLVKDONJSA-N -2 3 368.357 0.743 20 0 FCADHL CSc1nc(CNC(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)cc(=O)[n-]1 ZINC001605392659 1287949225 /nfs/dbraw/zinc/94/92/25/1287949225.db2.gz MSSFMHCXFGAZPH-UHFFFAOYSA-N -2 3 374.386 0.423 20 0 FCADHL CSc1nc(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc(=O)[n-]1 ZINC001605392659 1287949231 /nfs/dbraw/zinc/94/92/31/1287949231.db2.gz MSSFMHCXFGAZPH-UHFFFAOYSA-N -2 3 374.386 0.423 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1 ZINC001609416896 1289143524 /nfs/dbraw/zinc/14/35/24/1289143524.db2.gz UOJXGYCWNAIDHO-LBPRGKRZSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@]1(F)CCOC1 ZINC001609416752 1289143728 /nfs/dbraw/zinc/14/37/28/1289143728.db2.gz IXBYHSNNICRHLC-CYBMUJFWSA-N -2 3 355.351 0.109 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@]1(F)CCOC1 ZINC001609416752 1289143731 /nfs/dbraw/zinc/14/37/31/1289143731.db2.gz IXBYHSNNICRHLC-CYBMUJFWSA-N -2 3 355.351 0.109 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC001605546075 1287994326 /nfs/dbraw/zinc/99/43/26/1287994326.db2.gz YRRXLNXICBDURP-MDZLAQPJSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC001605546075 1287994331 /nfs/dbraw/zinc/99/43/31/1287994331.db2.gz YRRXLNXICBDURP-MDZLAQPJSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC001605622493 1288039367 /nfs/dbraw/zinc/03/93/67/1288039367.db2.gz VDCCHSRJYGNPRZ-UHFFFAOYSA-N -2 3 361.387 0.168 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC001605622493 1288039375 /nfs/dbraw/zinc/03/93/75/1288039375.db2.gz VDCCHSRJYGNPRZ-UHFFFAOYSA-N -2 3 361.387 0.168 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001605679054 1288050150 /nfs/dbraw/zinc/05/01/50/1288050150.db2.gz NTFMMDFJJJXRSV-JTQLQIEISA-N -2 3 369.378 0.942 20 0 FCADHL Cc1cc(S(=O)(=O)N(CC(=O)[O-])CC(C)C)ccc1-c1nnn[n-]1 ZINC001605751174 1288070325 /nfs/dbraw/zinc/07/03/25/1288070325.db2.gz HUSOTJWUPBNSMZ-UHFFFAOYSA-N -2 3 353.404 0.906 20 0 FCADHL Cc1cc(S(=O)(=O)N(CC(=O)[O-])CC(C)C)ccc1-c1nn[n-]n1 ZINC001605751174 1288070332 /nfs/dbraw/zinc/07/03/32/1288070332.db2.gz HUSOTJWUPBNSMZ-UHFFFAOYSA-N -2 3 353.404 0.906 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ncc(-c3nnn[n-]3)cc2C)c(C)o1 ZINC001605751111 1288070949 /nfs/dbraw/zinc/07/09/49/1288070949.db2.gz GONJWXKYABSIIT-UHFFFAOYSA-N -2 3 362.371 0.899 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ncc(-c3nn[n-]n3)cc2C)c(C)o1 ZINC001605751111 1288070950 /nfs/dbraw/zinc/07/09/50/1288070950.db2.gz GONJWXKYABSIIT-UHFFFAOYSA-N -2 3 362.371 0.899 20 0 FCADHL Cc1cscc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609444253 1289153347 /nfs/dbraw/zinc/15/33/47/1289153347.db2.gz SJMBGPLVYXGWFG-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1cscc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609444253 1289153352 /nfs/dbraw/zinc/15/33/52/1289153352.db2.gz SJMBGPLVYXGWFG-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC001605802109 1288090117 /nfs/dbraw/zinc/09/01/17/1288090117.db2.gz ULQOUWXKYBZFMT-JOYOIKCWSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(C)(C)[C@H]1C(=O)[O-] ZINC001605801699 1288090458 /nfs/dbraw/zinc/09/04/58/1288090458.db2.gz HSHQWGMSULXGEJ-LLVKDONJSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccnc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC001605954383 1288112777 /nfs/dbraw/zinc/11/27/77/1288112777.db2.gz FXCSWCWGCFQQPC-UHFFFAOYSA-N -2 3 367.341 0.722 20 0 FCADHL CN(C)C(=O)C1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCC1 ZINC001605991637 1288121752 /nfs/dbraw/zinc/12/17/52/1288121752.db2.gz YSZHPMUMKJOSAU-UHFFFAOYSA-N -2 3 361.445 0.768 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC001609455260 1289159851 /nfs/dbraw/zinc/15/98/51/1289159851.db2.gz IJTSVJCQVKOVEF-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC001609455260 1289159855 /nfs/dbraw/zinc/15/98/55/1289159855.db2.gz IJTSVJCQVKOVEF-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1oc(NC(=O)[C@@H](C)N(C)Cc2n[n-]c(=O)o2)c(-c2nnn[n-]2)c1C ZINC001606174009 1288197689 /nfs/dbraw/zinc/19/76/89/1288197689.db2.gz QKKGJFPCUQFNGB-SSDOTTSWSA-N -2 3 362.350 0.624 20 0 FCADHL Cc1oc(NC(=O)[C@@H](C)N(C)Cc2n[n-]c(=O)o2)c(-c2nn[n-]n2)c1C ZINC001606174009 1288197692 /nfs/dbraw/zinc/19/76/92/1288197692.db2.gz QKKGJFPCUQFNGB-SSDOTTSWSA-N -2 3 362.350 0.624 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])ccc1F ZINC001606303672 1288259623 /nfs/dbraw/zinc/25/96/23/1288259623.db2.gz RHFSANAVQYJEPW-LLVKDONJSA-N -2 3 358.391 0.965 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1ccc2c(c1)CCO2 ZINC001606342211 1288264313 /nfs/dbraw/zinc/26/43/13/1288264313.db2.gz MCSFUZROQGXZKP-AWEZNQCLSA-N -2 3 357.384 0.620 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCSCC1 ZINC001606354808 1288271025 /nfs/dbraw/zinc/27/10/25/1288271025.db2.gz VWWVKHGDCRZADZ-MNOVXSKESA-N -2 3 365.473 0.988 20 0 FCADHL COC(=O)C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])CCO2 ZINC001606382575 1288280644 /nfs/dbraw/zinc/28/06/44/1288280644.db2.gz VTLSNYLFBFLDTK-KGXJWFGYSA-N -2 3 373.383 0.757 20 0 FCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001606428242 1288309758 /nfs/dbraw/zinc/30/97/58/1288309758.db2.gz XIKKGLJGJMTIFT-UHFFFAOYSA-N -2 3 372.366 0.084 20 0 FCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001606428242 1288309767 /nfs/dbraw/zinc/30/97/67/1288309767.db2.gz XIKKGLJGJMTIFT-UHFFFAOYSA-N -2 3 372.366 0.084 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccnc2C(F)(F)F)n1 ZINC001609477677 1289171633 /nfs/dbraw/zinc/17/16/33/1289171633.db2.gz VDXSSXVQFBAXLZ-UHFFFAOYSA-N -2 3 374.308 0.815 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)cn1 ZINC001609479774 1289173667 /nfs/dbraw/zinc/17/36/67/1289173667.db2.gz MZMPTLKIOVWGAM-VOTSOKGWSA-N -2 3 359.371 0.119 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)cn1 ZINC001609479774 1289173669 /nfs/dbraw/zinc/17/36/69/1289173669.db2.gz MZMPTLKIOVWGAM-VOTSOKGWSA-N -2 3 359.371 0.119 20 0 FCADHL O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[N-]OC1CCCC1 ZINC001606554924 1288383853 /nfs/dbraw/zinc/38/38/53/1288383853.db2.gz ZDYQEDGRIYWRBG-UHFFFAOYSA-N -2 3 366.403 0.135 20 0 FCADHL O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[N-]OC1CCCC1 ZINC001606554924 1288383854 /nfs/dbraw/zinc/38/38/54/1288383854.db2.gz ZDYQEDGRIYWRBG-UHFFFAOYSA-N -2 3 366.403 0.135 20 0 FCADHL O=C([N-]OCC1CC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001606862527 1288542231 /nfs/dbraw/zinc/54/22/31/1288542231.db2.gz BFRTXJDRRZTXSO-UHFFFAOYSA-N -2 3 368.300 0.864 20 0 FCADHL O=C([N-]OCC1CC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001606862527 1288542235 /nfs/dbraw/zinc/54/22/35/1288542235.db2.gz BFRTXJDRRZTXSO-UHFFFAOYSA-N -2 3 368.300 0.864 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606958724 1288574506 /nfs/dbraw/zinc/57/45/06/1288574506.db2.gz FKPMVLUTYYOASW-WXHSDQCUSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606958724 1288574507 /nfs/dbraw/zinc/57/45/07/1288574507.db2.gz FKPMVLUTYYOASW-WXHSDQCUSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])CCCCNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001606958492 1288574578 /nfs/dbraw/zinc/57/45/78/1288574578.db2.gz WCMYSNYVWJDLMI-UHFFFAOYSA-N -2 3 357.367 0.680 20 0 FCADHL O=C([O-])CCCCNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001606958492 1288574580 /nfs/dbraw/zinc/57/45/80/1288574580.db2.gz WCMYSNYVWJDLMI-UHFFFAOYSA-N -2 3 357.367 0.680 20 0 FCADHL O=C([O-])CN(C1CCC1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001606958542 1288574650 /nfs/dbraw/zinc/57/46/50/1288574650.db2.gz XDICKVRJKZVGER-UHFFFAOYSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC12CCC2 ZINC001606960531 1288576636 /nfs/dbraw/zinc/57/66/36/1288576636.db2.gz KQZHDVZXFZZBBU-GFCCVEGCSA-N -2 3 363.399 0.636 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC12CCC2 ZINC001606960531 1288576637 /nfs/dbraw/zinc/57/66/37/1288576637.db2.gz KQZHDVZXFZZBBU-GFCCVEGCSA-N -2 3 363.399 0.636 20 0 FCADHL O=C([O-])[C@H]1CN(c2cc(-c3nnn[n-]3)c(Br)cn2)CCO1 ZINC001606961512 1288576693 /nfs/dbraw/zinc/57/66/93/1288576693.db2.gz TYBBMRASMQQYDH-MRVPVSSYSA-N -2 3 355.152 0.314 20 0 FCADHL O=C([O-])[C@H]1CN(c2cc(-c3nn[n-]n3)c(Br)cn2)CCO1 ZINC001606961512 1288576695 /nfs/dbraw/zinc/57/66/95/1288576695.db2.gz TYBBMRASMQQYDH-MRVPVSSYSA-N -2 3 355.152 0.314 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001606961927 1288577811 /nfs/dbraw/zinc/57/78/11/1288577811.db2.gz ZXYNWCYXUJTFAR-UHFFFAOYSA-N -2 3 369.378 0.680 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001606961927 1288577816 /nfs/dbraw/zinc/57/78/16/1288577816.db2.gz ZXYNWCYXUJTFAR-UHFFFAOYSA-N -2 3 369.378 0.680 20 0 FCADHL O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001607014174 1288591555 /nfs/dbraw/zinc/59/15/55/1288591555.db2.gz PIEPHVQQGUZNFP-VIFPVBQESA-N -2 3 359.375 0.016 20 0 FCADHL O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001607014174 1288591561 /nfs/dbraw/zinc/59/15/61/1288591561.db2.gz PIEPHVQQGUZNFP-VIFPVBQESA-N -2 3 359.375 0.016 20 0 FCADHL O=C1CCc2cc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)ccc2N1 ZINC001607046558 1288614859 /nfs/dbraw/zinc/61/48/59/1288614859.db2.gz IFVZJWWQJCDOHQ-UHFFFAOYSA-N -2 3 360.359 0.275 20 0 FCADHL O=S(=O)([N-]CCc1cn[nH]c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001607066566 1288638567 /nfs/dbraw/zinc/63/85/67/1288638567.db2.gz VVYCQFAOOAGFHE-UHFFFAOYSA-N -2 3 355.330 0.389 20 0 FCADHL O=S(=O)([N-]c1ncccc1-c1nn[n-]n1)c1ccc(-n2cnnn2)cc1 ZINC001607069662 1288641370 /nfs/dbraw/zinc/64/13/70/1288641370.db2.gz LDXQFMWDIFVSRG-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=c1[nH]c2cc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)ccc2o1 ZINC001607088575 1288655157 /nfs/dbraw/zinc/65/51/57/1288655157.db2.gz MUSSBLMORWQTAW-UHFFFAOYSA-N -2 3 359.327 0.909 20 0 FCADHL O=c1[nH]c2cc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)ccc2o1 ZINC001607088575 1288655161 /nfs/dbraw/zinc/65/51/61/1288655161.db2.gz MUSSBLMORWQTAW-UHFFFAOYSA-N -2 3 359.327 0.909 20 0 FCADHL Cc1ccc(C2=NO[C@H](C[N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])C2)cc1 ZINC001607767296 1288737653 /nfs/dbraw/zinc/73/76/53/1288737653.db2.gz WRIYEFLHRVQEJS-NSHDSACASA-N -2 3 364.383 0.888 20 0 FCADHL Cc1cccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1C(=O)[O-] ZINC001607862200 1288741437 /nfs/dbraw/zinc/74/14/37/1288741437.db2.gz OBECAEMCKBLVGI-UHFFFAOYSA-N -2 3 356.400 0.521 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccnn3C)C2)c1C(=O)[O-] ZINC001607939954 1288749879 /nfs/dbraw/zinc/74/98/79/1288749879.db2.gz IEEWFDZAHBQMKY-GXSJLCMTSA-N -2 3 369.403 0.348 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCOc2ccc3c(c2)OCO3)c1C(=O)[O-] ZINC001607938453 1288750122 /nfs/dbraw/zinc/75/01/22/1288750122.db2.gz RAGAIYFMBDVRNS-UHFFFAOYSA-N -2 3 369.355 0.502 20 0 FCADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001607993998 1288756617 /nfs/dbraw/zinc/75/66/17/1288756617.db2.gz HRULMXJPEUAFRM-YFKPBYRVSA-N -3 3 363.398 0.710 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@]2(CC(=O)[O-])CCOC2)c(Br)n1 ZINC001608121866 1288774761 /nfs/dbraw/zinc/77/47/61/1288774761.db2.gz HYNYNFKIBZDXSG-JTQLQIEISA-N -2 3 368.209 0.095 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCOC2)c(Br)n1 ZINC001608121867 1288775244 /nfs/dbraw/zinc/77/52/44/1288775244.db2.gz HYNYNFKIBZDXSG-SNVBAGLBSA-N -2 3 368.209 0.095 20 0 FCADHL Cn1ccnc1N1CCC([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001608132932 1288778220 /nfs/dbraw/zinc/77/82/20/1288778220.db2.gz QVNLIUABZWZYOK-UHFFFAOYSA-N -2 3 371.444 0.522 20 0 FCADHL Cn1cnnc1S(=O)(=O)[N-][C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001608140629 1288780141 /nfs/dbraw/zinc/78/01/41/1288780141.db2.gz WSLUGCAFFWYOAL-NSHDSACASA-N -2 3 350.356 0.536 20 0 FCADHL O=C([O-])c1csc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC001608476531 1288847457 /nfs/dbraw/zinc/84/74/57/1288847457.db2.gz UBKJVHIGKVDFEQ-UHFFFAOYSA-N -2 3 363.277 0.838 20 0 FCADHL O=C([O-])CCCNC(=S)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001608715292 1288868242 /nfs/dbraw/zinc/86/82/42/1288868242.db2.gz YWEUOBCTXDDARB-UHFFFAOYSA-N -2 3 351.428 0.889 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ncccn3)CCOCC2)o1 ZINC001608910942 1288879054 /nfs/dbraw/zinc/87/90/54/1288879054.db2.gz QAOCUQJYEQSEAK-UHFFFAOYSA-N -2 3 353.356 0.752 20 0 FCADHL O=C([O-])c1ccc([C@@H](NC(=O)NN2CC(=O)[N-]C2=O)C(F)(F)F)cc1 ZINC001609041569 1288884452 /nfs/dbraw/zinc/88/44/52/1288884452.db2.gz LPEPTGVIBOAEPH-SECBINFHSA-N -2 3 360.248 0.754 20 0 FCADHL C[C@@H](CC(C)(C)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001609108975 1288924212 /nfs/dbraw/zinc/92/42/12/1288924212.db2.gz JXIVGTUCSBLZOU-QMMMGPOBSA-N -2 3 354.392 0.429 20 0 FCADHL C[C@@H](CC(C)(C)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001609108975 1288924207 /nfs/dbraw/zinc/92/42/07/1288924207.db2.gz JXIVGTUCSBLZOU-QMMMGPOBSA-N -2 3 354.392 0.429 20 0 FCADHL C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609125933 1288934754 /nfs/dbraw/zinc/93/47/54/1288934754.db2.gz XHURPMVOZMMOPG-RQJHMYQMSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609125933 1288934757 /nfs/dbraw/zinc/93/47/57/1288934757.db2.gz XHURPMVOZMMOPG-RQJHMYQMSA-N -2 3 359.795 0.908 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@H](C(=O)[O-])CO1 ZINC001609147562 1288948327 /nfs/dbraw/zinc/94/83/27/1288948327.db2.gz YLDJIYVGDIICSE-NSHDSACASA-N -2 3 367.387 0.119 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@H](C(=O)[O-])CO1 ZINC001609147562 1288948329 /nfs/dbraw/zinc/94/83/29/1288948329.db2.gz YLDJIYVGDIICSE-NSHDSACASA-N -2 3 367.387 0.119 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC001609155937 1288954976 /nfs/dbraw/zinc/95/49/76/1288954976.db2.gz XQLYZNBHPUBPAK-ZJUUUORDSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC001609155937 1288954977 /nfs/dbraw/zinc/95/49/77/1288954977.db2.gz XQLYZNBHPUBPAK-ZJUUUORDSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC001609155936 1288955197 /nfs/dbraw/zinc/95/51/97/1288955197.db2.gz XQLYZNBHPUBPAK-VHSXEESVSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC001609155936 1288955198 /nfs/dbraw/zinc/95/51/98/1288955198.db2.gz XQLYZNBHPUBPAK-VHSXEESVSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC001609173483 1288967193 /nfs/dbraw/zinc/96/71/93/1288967193.db2.gz KGBIDCJLRPUWHE-SCZZXKLOSA-N -2 3 369.378 0.737 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609519653 1289191644 /nfs/dbraw/zinc/19/16/44/1289191644.db2.gz GJKBURGXVQRFOB-BQYQJAHWSA-N -2 3 356.367 0.780 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609519653 1289191647 /nfs/dbraw/zinc/19/16/47/1289191647.db2.gz GJKBURGXVQRFOB-BQYQJAHWSA-N -2 3 356.367 0.780 20 0 FCADHL O=C(CCOCC(F)F)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609524340 1289193926 /nfs/dbraw/zinc/19/39/26/1289193926.db2.gz KMIMHSKYTUGQPY-UHFFFAOYSA-N -2 3 361.330 0.343 20 0 FCADHL O=C(CCOCC(F)F)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609524340 1289193929 /nfs/dbraw/zinc/19/39/29/1289193929.db2.gz KMIMHSKYTUGQPY-UHFFFAOYSA-N -2 3 361.330 0.343 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc2c[nH]nc21 ZINC001609560305 1289224940 /nfs/dbraw/zinc/22/49/40/1289224940.db2.gz GWHDGWAMQLQFGL-UHFFFAOYSA-N -2 3 369.366 0.862 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2n[nH]cc2C1 ZINC001609560599 1289225008 /nfs/dbraw/zinc/22/50/08/1289225008.db2.gz YCDNOMDMSKYMLV-JTQLQIEISA-N -2 3 373.398 0.200 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)c1ocnc1C1CC1 ZINC001609560342 1289225042 /nfs/dbraw/zinc/22/50/42/1289225042.db2.gz JFPGZOQRQMBNNM-UHFFFAOYSA-N -2 3 361.343 0.246 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)c1ocnc1C1CC1 ZINC001609560342 1289225050 /nfs/dbraw/zinc/22/50/50/1289225050.db2.gz JFPGZOQRQMBNNM-UHFFFAOYSA-N -2 3 361.343 0.246 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1sccc1-c1nnn[n-]1 ZINC001609564234 1289228705 /nfs/dbraw/zinc/22/87/05/1289228705.db2.gz OIMUYYXRZXVXAY-UHFFFAOYSA-N -2 3 355.343 0.862 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1sccc1-c1nn[n-]n1 ZINC001609564234 1289228710 /nfs/dbraw/zinc/22/87/10/1289228710.db2.gz OIMUYYXRZXVXAY-UHFFFAOYSA-N -2 3 355.343 0.862 20 0 FCADHL O=C([O-])CC1CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001609571993 1289234763 /nfs/dbraw/zinc/23/47/63/1289234763.db2.gz IDIDBFBJEWESAZ-UHFFFAOYSA-N -2 3 352.376 0.137 20 0 FCADHL O=C([O-])CC1CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001609571993 1289234771 /nfs/dbraw/zinc/23/47/71/1289234771.db2.gz IDIDBFBJEWESAZ-UHFFFAOYSA-N -2 3 352.376 0.137 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001609572103 1289234885 /nfs/dbraw/zinc/23/48/85/1289234885.db2.gz ZAMPWBRQIIUDII-SSDOTTSWSA-N -2 3 373.341 0.630 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001609572103 1289234892 /nfs/dbraw/zinc/23/48/92/1289234892.db2.gz ZAMPWBRQIIUDII-SSDOTTSWSA-N -2 3 373.341 0.630 20 0 FCADHL O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001609571649 1289235243 /nfs/dbraw/zinc/23/52/43/1289235243.db2.gz PNMLIWIZTIUZNZ-SSDOTTSWSA-N -2 3 365.293 0.393 20 0 FCADHL CC[C@@H](CS(=O)(=O)[N-]C1(C(=O)OC)CCC(C(=O)[O-])CC1)OC ZINC001609926770 1289330587 /nfs/dbraw/zinc/33/05/87/1289330587.db2.gz XONDCWVRERHMHU-CVZZAPKMSA-N -2 3 351.421 0.517 20 0 FCADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])[C@]12CCCO2 ZINC001610027890 1289350816 /nfs/dbraw/zinc/35/08/16/1289350816.db2.gz BMHBOIGIPCMOQG-IGJMFERPSA-N -2 3 362.429 0.846 20 0 FCADHL CNC(=O)c1cccc(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001610144151 1289397800 /nfs/dbraw/zinc/39/78/00/1289397800.db2.gz PZLUOKHYAJRIFJ-UHFFFAOYSA-N -2 3 369.424 0.722 20 0 FCADHL COCCNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610262356 1289442143 /nfs/dbraw/zinc/44/21/43/1289442143.db2.gz XVAZOUZRPZNRRF-NSHDSACASA-N -2 3 362.404 0.433 20 0 FCADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1cc(C(=O)[O-])no1 ZINC001610376247 1289474109 /nfs/dbraw/zinc/47/41/09/1289474109.db2.gz IFULCZROWQCASD-UHFFFAOYSA-N -2 3 357.319 0.813 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCN(CC(F)(F)F)C2)c1C(=O)[O-] ZINC001610549886 1289506485 /nfs/dbraw/zinc/50/64/85/1289506485.db2.gz MUOKNSNEXXTZSI-MRVPVSSYSA-N -2 3 370.353 0.579 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001610549831 1289507184 /nfs/dbraw/zinc/50/71/84/1289507184.db2.gz KRYKTCFLANBWLT-QPUJVOFHSA-N -2 3 357.363 0.956 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)[C@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001610549829 1289507313 /nfs/dbraw/zinc/50/73/13/1289507313.db2.gz KRYKTCFLANBWLT-PELKAZGASA-N -2 3 357.363 0.956 20 0 FCADHL Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)CC3(C(=O)[O-])CCC3)C2=O)n1 ZINC001610608417 1289526156 /nfs/dbraw/zinc/52/61/56/1289526156.db2.gz OGSNGTORXZRRNL-NSHDSACASA-N -2 3 370.431 0.090 20 0 FCADHL O=C([O-])[C@H](CO)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001610652527 1289542081 /nfs/dbraw/zinc/54/20/81/1289542081.db2.gz WOMVJGKIRRNPKM-HOTGVXAUSA-N -2 3 372.377 0.815 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1 ZINC001610666576 1289547876 /nfs/dbraw/zinc/54/78/76/1289547876.db2.gz WOCUOSBKSPARFN-UHFFFAOYSA-N -2 3 359.360 0.897 20 0 FCADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCSC1 ZINC001610729120 1289569186 /nfs/dbraw/zinc/56/91/86/1289569186.db2.gz KPYCCKKHBMRCPR-LBPRGKRZSA-N -2 3 362.360 0.499 20 0 FCADHL O=C([O-])Cc1ccccc1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610797687 1289596287 /nfs/dbraw/zinc/59/62/87/1289596287.db2.gz ZRKUQLJSGRDUQI-UHFFFAOYSA-N -3 3 356.381 0.947 20 0 FCADHL O=C([O-])c1cn([C@@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)nn1 ZINC001610859108 1289609304 /nfs/dbraw/zinc/60/93/04/1289609304.db2.gz SDENZGMXXDXSSI-ZCFIWIBFSA-N -2 3 374.283 0.270 20 0 FCADHL CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)NCCCCP(=O)([O-])[O-] ZINC001146190061 849547221 /nfs/dbraw/zinc/54/72/21/849547221.db2.gz XYPDPRIUVZGDJU-ZDUSSCGKSA-N -2 3 354.340 0.336 20 0 FCADHL O=C(NCCCC[P@](=O)([O-])O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927061 849623519 /nfs/dbraw/zinc/62/35/19/849623519.db2.gz BOKFJIONQMEXNU-UHFFFAOYSA-N -3 3 353.289 0.327 20 0 FCADHL O=C(NCCCC[P@@](=O)([O-])O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927061 849623525 /nfs/dbraw/zinc/62/35/25/849623525.db2.gz BOKFJIONQMEXNU-UHFFFAOYSA-N -3 3 353.289 0.327 20 0 FCADHL NCc1nc(=O)[n-]n1-c1ncccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001157940770 850007193 /nfs/dbraw/zinc/00/71/93/850007193.db2.gz HAIDDTGBNZMMAN-UHFFFAOYSA-N -2 3 364.362 0.767 20 0 FCADHL Cc1cc(=O)n(-c2ccc(-n3c4[n-]c(=O)sc4c(=O)nc3N)nn2)[n-]1 ZINC001163043760 850347841 /nfs/dbraw/zinc/34/78/41/850347841.db2.gz RYTKVCPLFOYLNX-UHFFFAOYSA-N -2 3 358.343 0.275 20 0 FCADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001168404834 850585406 /nfs/dbraw/zinc/58/54/06/850585406.db2.gz PBIMKUXTUMVQBD-LLVKDONJSA-N -2 3 352.416 0.690 20 0 FCADHL NCc1nc(=O)[n-]n1-c1ccc(S(=O)(=O)[N-]c2nccs2)cn1 ZINC001168760218 850593436 /nfs/dbraw/zinc/59/34/36/850593436.db2.gz DEYUSUTZPKKFAZ-UHFFFAOYSA-N -2 3 353.389 0.084 20 0 FCADHL CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)NCCCCP(=O)([O-])[O-] ZINC001181862166 851137704 /nfs/dbraw/zinc/13/77/04/851137704.db2.gz KDYCMRAVWLVJFA-SNVBAGLBSA-N -2 3 364.335 0.987 20 0 FCADHL Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568095 851363413 /nfs/dbraw/zinc/36/34/13/851363413.db2.gz NALHPIQEFOTXFF-UHFFFAOYSA-N -2 3 357.359 0.344 20 0 FCADHL Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568095 851363420 /nfs/dbraw/zinc/36/34/20/851363420.db2.gz NALHPIQEFOTXFF-UHFFFAOYSA-N -2 3 357.359 0.344 20 0 FCADHL O=C1Cc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cnc2N1 ZINC001185568717 851363831 /nfs/dbraw/zinc/36/38/31/851363831.db2.gz XKSVBSORZCOYAI-UHFFFAOYSA-N -2 3 357.355 0.557 20 0 FCADHL CN(CC(=O)Nc1c(Cl)cnnc1Cl)C(N)=NP(=O)([O-])[O-] ZINC001185654522 851377486 /nfs/dbraw/zinc/37/74/86/851377486.db2.gz RBQIEOYGJJIKMR-UHFFFAOYSA-N -2 3 357.094 0.271 20 0 FCADHL O=S(=O)([O-])C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186352639 851427495 /nfs/dbraw/zinc/42/74/95/851427495.db2.gz LRQQCVYIUVTNKE-UHFFFAOYSA-N -2 3 365.614 0.621 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)NCCCc2c[n-][nH]c2=O)ccc1Cl ZINC001188327262 851670392 /nfs/dbraw/zinc/67/03/92/851670392.db2.gz DHVQRXWGQGCWIB-MRVPVSSYSA-N -2 3 359.791 0.829 20 0 FCADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1SC(=O)[N-]C1=O ZINC001190585246 851926664 /nfs/dbraw/zinc/92/66/64/851926664.db2.gz ZECWMPVQOCDFDL-SECBINFHSA-N -2 3 364.788 0.714 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1[O-] ZINC001192727430 852283790 /nfs/dbraw/zinc/28/37/90/852283790.db2.gz YARMDHWSVMJCMV-UHFFFAOYSA-N -3 3 366.351 0.755 20 0 FCADHL COc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc(=O)[n-]1 ZINC001195195043 852722236 /nfs/dbraw/zinc/72/22/36/852722236.db2.gz OXFVQDBHXFRSGD-UHFFFAOYSA-N -3 3 361.282 0.968 20 0 FCADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(N)=O ZINC001195254228 852731811 /nfs/dbraw/zinc/73/18/11/852731811.db2.gz JYGDRXYPASRZOR-KGFZYKRKSA-N -2 3 350.343 0.841 20 0 FCADHL CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)[C@@H](C)O ZINC001195255084 852732584 /nfs/dbraw/zinc/73/25/84/852732584.db2.gz SLGYMSNMMVEGPV-KSBSHMNSSA-N -2 3 367.326 0.254 20 0 FCADHL O=C1[N-]C(=O)[C@H]([N-]S(=O)(=O)c2cccc(Br)n2)S1 ZINC001196323884 852936964 /nfs/dbraw/zinc/93/69/64/852936964.db2.gz NJFNJIAFAASXDZ-SSDOTTSWSA-N -2 3 352.191 0.432 20 0 FCADHL CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@H]2Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569178 857165981 /nfs/dbraw/zinc/16/59/81/857165981.db2.gz UVKLGKVUAJJDBD-RFAUZJTJSA-N -2 3 354.363 0.830 20 0 FCADHL CN1CCO[C@H](COc2[n-]c(=O)nc3nc(Br)[n-]c32)C1=O ZINC001227595921 857167214 /nfs/dbraw/zinc/16/72/14/857167214.db2.gz FAZYPLBJWMKPFW-RXMQYKEDSA-N -2 3 358.152 0.057 20 0 FCADHL CC(C)(C)OC(=O)N1CCOC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233935428 857393441 /nfs/dbraw/zinc/39/34/41/857393441.db2.gz SKRGJZGFVBLCTQ-SECBINFHSA-N -2 3 351.363 0.661 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)COC1 ZINC001259222895 858249508 /nfs/dbraw/zinc/24/95/08/858249508.db2.gz ISTZQGBZDUXZPU-UHFFFAOYSA-N -2 3 367.738 0.398 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)c(F)cc1Cl ZINC001259221527 858249525 /nfs/dbraw/zinc/24/95/25/858249525.db2.gz KYMJNBPYWJFLSO-LURJTMIESA-N -2 3 371.795 0.643 20 0 FCADHL O=c1[nH]c2ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cc2o1 ZINC001259387661 858267937 /nfs/dbraw/zinc/26/79/37/858267937.db2.gz RFPCEZIKBGLLEO-UHFFFAOYSA-N -2 3 350.289 0.770 20 0 FCADHL CN1C(=O)Cc2cc(S(=O)(=O)NCCCCP(=O)([O-])[O-])ccc21 ZINC001260163558 858339343 /nfs/dbraw/zinc/33/93/43/858339343.db2.gz RTKBLVOOSCBQPZ-UHFFFAOYSA-N -2 3 362.344 0.442 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1[O-] ZINC001260674130 858412588 /nfs/dbraw/zinc/41/25/88/858412588.db2.gz FBQQGXKILJSVBJ-UHFFFAOYSA-N -2 3 363.351 0.623 20 0 FCADHL O=C([N-]CC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(F)(F)F ZINC001261073615 858443220 /nfs/dbraw/zinc/44/32/20/858443220.db2.gz JMHCICZJGJGQQC-UHFFFAOYSA-N -2 3 372.712 0.833 20 0 FCADHL CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000322609597 970909186 /nfs/dbraw/zinc/90/91/86/970909186.db2.gz KKWVFYGVZRIIOO-RXMQYKEDSA-N -2 3 369.193 0.543 20 0 FCADHL O=C([O-])CCC1CCN(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)CC1 ZINC001601977926 971103481 /nfs/dbraw/zinc/10/34/81/971103481.db2.gz LOOBEZMPTQBKHU-UHFFFAOYSA-N -2 3 350.379 0.806 20 0 FCADHL COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826148708 947477150 /nfs/dbraw/zinc/47/71/50/947477150.db2.gz OYCFPYUUPSDYDH-HWPZZCPQSA-N -2 3 363.374 0.630 20 0 FCADHL COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826148708 947477160 /nfs/dbraw/zinc/47/71/60/947477160.db2.gz OYCFPYUUPSDYDH-HWPZZCPQSA-N -2 3 363.374 0.630 20 0 FCADHL CC(C)[C@H](O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001574082668 948858654 /nfs/dbraw/zinc/85/86/54/948858654.db2.gz GTDGCPAYYJPBSO-LLVKDONJSA-N -2 3 361.374 0.830 20 0 FCADHL C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1[O-] ZINC001574695549 949112870 /nfs/dbraw/zinc/11/28/70/949112870.db2.gz IBFVNBWMTRVRSE-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncccc1[O-] ZINC001574695549 949112879 /nfs/dbraw/zinc/11/28/79/949112879.db2.gz IBFVNBWMTRVRSE-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1nc(=O)o[n-]1 ZINC001573823465 949829192 /nfs/dbraw/zinc/82/91/92/949829192.db2.gz XFYHJKIUBQJKDG-QWRGUYRKSA-N -2 3 373.373 0.480 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1nc(=O)o[n-]1 ZINC001573823465 949829205 /nfs/dbraw/zinc/82/92/05/949829205.db2.gz XFYHJKIUBQJKDG-QWRGUYRKSA-N -2 3 373.373 0.480 20 0 FCADHL O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1ncccc1[O-] ZINC001570957501 949895940 /nfs/dbraw/zinc/89/59/40/949895940.db2.gz VFKCPBSTCBNJNX-JTQLQIEISA-N -2 3 352.358 0.371 20 0 FCADHL O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1ncccc1[O-] ZINC001570957501 949895960 /nfs/dbraw/zinc/89/59/60/949895960.db2.gz VFKCPBSTCBNJNX-JTQLQIEISA-N -2 3 352.358 0.371 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574767649 950862292 /nfs/dbraw/zinc/86/22/92/950862292.db2.gz UIHZJQFCZBBCJL-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL O=C([O-])CN1CCC[C@@H](C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)C1=O ZINC001595083434 951709627 /nfs/dbraw/zinc/70/96/27/951709627.db2.gz KUXQQTVAWMEYLL-SNVBAGLBSA-N -2 3 360.370 0.225 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001571057360 951893582 /nfs/dbraw/zinc/89/35/82/951893582.db2.gz ZTSMXMIMYSUBFH-MGCOHNPYSA-N -2 3 369.389 0.619 20 0 FCADHL CC[C@@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)[O-] ZINC001593606963 953436619 /nfs/dbraw/zinc/43/66/19/953436619.db2.gz DDHXBEJSCIMPHC-SSDOTTSWSA-N -2 3 363.193 0.633 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC001594896893 954575384 /nfs/dbraw/zinc/57/53/84/954575384.db2.gz VAOSFSHINZTEAW-AEJSXWLSSA-N -2 3 364.320 0.678 20 0 FCADHL CO[C@@H](C(=O)[O-])C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001593910868 955963663 /nfs/dbraw/zinc/96/36/63/955963663.db2.gz CGGQNSXGCUAMBS-SNVBAGLBSA-N -2 3 373.774 0.934 20 0 FCADHL CO[C@@H](C(=O)[O-])C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001593910868 955963674 /nfs/dbraw/zinc/96/36/74/955963674.db2.gz CGGQNSXGCUAMBS-SNVBAGLBSA-N -2 3 373.774 0.934 20 0 FCADHL O=C([O-])c1ccnc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC001594715032 956917920 /nfs/dbraw/zinc/91/79/20/956917920.db2.gz VUWNIYGEOIYNBS-UHFFFAOYSA-N -2 3 369.131 0.443 20 0 FCADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594171364 959002687 /nfs/dbraw/zinc/00/26/87/959002687.db2.gz MBZBMWJUWDOMNX-SNVBAGLBSA-N -2 3 369.399 0.320 20 0 FCADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000314624735 963779007 /nfs/dbraw/zinc/77/90/07/963779007.db2.gz KCIDALMAWQZUCE-LLVKDONJSA-N -2 3 350.349 0.973 20 0 FCADHL C[C@H](CC(=O)N1CC[C@@H]1C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001592233996 977434933 /nfs/dbraw/zinc/43/49/33/977434933.db2.gz PDLZTPGIPVVQNV-RKDXNWHRSA-N -2 3 361.807 0.477 20 0 FCADHL C[C@@H](CC(=O)N1CC[C@@H]1C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001592233992 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COC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736932088 598789313 /nfs/dbraw/zinc/78/93/13/598789313.db2.gz FGDMWCOGQIRVOF-UHFFFAOYSA-N -2 3 363.359 0.037 20 0 FCADHL NS(=O)(=O)c1ccc([O-])c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737769931 598815205 /nfs/dbraw/zinc/81/52/05/598815205.db2.gz RHRCCNMGBJUWEE-UHFFFAOYSA-N -2 3 360.355 0.472 20 0 FCADHL NS(=O)(=O)c1ccc([O-])c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737769931 598815207 /nfs/dbraw/zinc/81/52/07/598815207.db2.gz RHRCCNMGBJUWEE-UHFFFAOYSA-N -2 3 360.355 0.472 20 0 FCADHL COc1ccnc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737154962 599360024 /nfs/dbraw/zinc/36/00/24/599360024.db2.gz BFSCLAOLSCTVBZ-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1ccnc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737154962 599360026 /nfs/dbraw/zinc/36/00/26/599360026.db2.gz BFSCLAOLSCTVBZ-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccc1OC(F)F)c1c[nH]cn1 ZINC000738344228 599471723 /nfs/dbraw/zinc/47/17/23/599471723.db2.gz CMPNALVGCKTEIK-UHFFFAOYSA-N -2 3 357.302 0.992 20 0 FCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F)c1c[nH]cn1 ZINC000738344228 599471725 /nfs/dbraw/zinc/47/17/25/599471725.db2.gz CMPNALVGCKTEIK-UHFFFAOYSA-N -2 3 357.302 0.992 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)c2ccccc2)o1 ZINC000740176490 599769534 /nfs/dbraw/zinc/76/95/34/599769534.db2.gz IAYWAXVQOJVPDV-UHFFFAOYSA-N -2 3 374.396 0.235 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNC(=O)c2ccc(F)cc2)o1 ZINC000739419584 599775176 /nfs/dbraw/zinc/77/51/76/599775176.db2.gz GFXHELYPJNVZCD-UHFFFAOYSA-N -2 3 356.331 0.825 20 0 FCADHL C[C@@H](CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)C(=O)[O-] ZINC000736600631 599886699 /nfs/dbraw/zinc/88/66/99/599886699.db2.gz WJFUZRFNGCUTFF-ZETCQYMHSA-N -2 3 362.354 0.856 20 0 FCADHL COCCN(CC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000737775285 600386293 /nfs/dbraw/zinc/38/62/93/600386293.db2.gz IWWCFHKWZWKPOU-UHFFFAOYSA-N -2 3 374.390 0.440 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCCO1 ZINC000823284510 607442486 /nfs/dbraw/zinc/44/24/86/607442486.db2.gz IJQUOJXJBOQGRX-GFCCVEGCSA-N -2 3 351.388 0.382 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCCO1 ZINC000823284510 607442487 /nfs/dbraw/zinc/44/24/87/607442487.db2.gz IJQUOJXJBOQGRX-GFCCVEGCSA-N -2 3 351.388 0.382 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000740175294 600435485 /nfs/dbraw/zinc/43/54/85/600435485.db2.gz MAFWLGWXIRQWQB-LURJTMIESA-N -2 3 356.278 0.419 20 0 FCADHL Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738800520 600452361 /nfs/dbraw/zinc/45/23/61/600452361.db2.gz XCAVEZPWGWOXBL-UHFFFAOYSA-N -2 3 356.356 0.978 20 0 FCADHL CNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000737541277 600632503 /nfs/dbraw/zinc/63/25/03/600632503.db2.gz WBSNASADZDJSOH-UHFFFAOYSA-N -2 3 369.168 0.311 20 0 FCADHL Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2=O)n1 ZINC000833056318 600780546 /nfs/dbraw/zinc/78/05/46/600780546.db2.gz XBMKRPOEVQVGPO-VIFPVBQESA-N -2 3 368.371 0.185 20 0 FCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833090232 600979381 /nfs/dbraw/zinc/97/93/81/600979381.db2.gz UWUBKPJVXYXRNQ-VHSXEESVSA-N -2 3 350.375 0.966 20 0 FCADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)N1CCOCC1 ZINC000827508362 600993042 /nfs/dbraw/zinc/99/30/42/600993042.db2.gz ZSYIDMHCMYPGJC-VIFPVBQESA-N -2 3 364.370 0.662 20 0 FCADHL O=C([O-])c1ccsc1N1CC[C@H]([N-]S(=O)(=O)[C@H]2CCOC2)C1=O ZINC000833341577 601263260 /nfs/dbraw/zinc/26/32/60/601263260.db2.gz OGEVWBCMFDOWNC-WPRPVWTQSA-N -2 3 360.413 0.260 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)o1 ZINC000833323420 601267818 /nfs/dbraw/zinc/26/78/18/601267818.db2.gz QQBBTYQVYKHIFV-SNVBAGLBSA-N -2 3 358.372 0.036 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)CCC(=O)[O-])ccc1F ZINC000831028855 601624293 /nfs/dbraw/zinc/62/42/93/601624293.db2.gz BNRZQPIVDFYBDM-UHFFFAOYSA-N -2 3 362.379 0.297 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000832993394 601715773 /nfs/dbraw/zinc/71/57/73/601715773.db2.gz WMKUULMNCYLFNR-QGZVFWFLSA-N -2 3 360.345 0.708 20 0 FCADHL C[C@@H](CS(=O)(=O)[N-][C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)[O-] ZINC000827554578 601801282 /nfs/dbraw/zinc/80/12/82/601801282.db2.gz XGEXKKOVUIGFTI-GZMMTYOYSA-N -2 3 362.354 0.710 20 0 FCADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)s2)CCS(=O)(=O)CC1 ZINC000833176087 601808610 /nfs/dbraw/zinc/80/86/10/601808610.db2.gz XYYCRIITADUHME-UHFFFAOYSA-N -2 3 373.861 0.712 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2N2CCOCC2)o1 ZINC000833325392 602002507 /nfs/dbraw/zinc/00/25/07/602002507.db2.gz WHZPYKASWRZRDF-RYUDHWBXSA-N -2 3 358.416 0.900 20 0 FCADHL C[C@H](CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000827234609 602136567 /nfs/dbraw/zinc/13/65/67/602136567.db2.gz GGKLPXPXIJLTCJ-BDAKNGLRSA-N -2 3 363.823 0.629 20 0 FCADHL CC[C@@H](NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000769562827 602193202 /nfs/dbraw/zinc/19/32/02/602193202.db2.gz QHCGZCSZRLEQOO-RKDXNWHRSA-N -2 3 363.823 0.771 20 0 FCADHL CCC(O)(CC)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825154586 607629736 /nfs/dbraw/zinc/62/97/36/607629736.db2.gz QSAMCZKMFLXWJZ-UHFFFAOYSA-N -2 3 361.374 0.974 20 0 FCADHL O=C([O-])c1cn(CC(=O)NCc2ccc([O-])c(Br)c2)nn1 ZINC000833120922 604372612 /nfs/dbraw/zinc/37/26/12/604372612.db2.gz VAPGYHQCUDNIGT-UHFFFAOYSA-N -2 3 355.148 0.761 20 0 FCADHL COC(=O)N1CC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000831198523 604413113 /nfs/dbraw/zinc/41/31/13/604413113.db2.gz LJBCOHLOYQVDKX-UHFFFAOYSA-N -2 3 350.299 0.392 20 0 FCADHL C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000833624716 604613724 /nfs/dbraw/zinc/61/37/24/604613724.db2.gz VSJRLZAXWXXIQD-QWHCGFSZSA-N -2 3 372.425 0.957 20 0 FCADHL CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824029846 607776572 /nfs/dbraw/zinc/77/65/72/607776572.db2.gz RDYQITMIQPLZTH-UHFFFAOYSA-N -2 3 360.355 0.516 20 0 FCADHL CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824029846 607776573 /nfs/dbraw/zinc/77/65/73/607776573.db2.gz RDYQITMIQPLZTH-UHFFFAOYSA-N -2 3 360.355 0.516 20 0 FCADHL CC(C)COC[C@@H](O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833487753 605031993 /nfs/dbraw/zinc/03/19/93/605031993.db2.gz HIUJHVQKSIVNPZ-VIFPVBQESA-N -2 3 367.370 0.975 20 0 FCADHL COCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CC2 ZINC000833726339 605209639 /nfs/dbraw/zinc/20/96/39/605209639.db2.gz PNHIWFQKPRTVHJ-SECBINFHSA-N -2 3 356.360 0.009 20 0 FCADHL C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833617392 605209670 /nfs/dbraw/zinc/20/96/70/605209670.db2.gz DADBYRQGYQSWAM-SKDRFNHKSA-N -2 3 356.400 0.903 20 0 FCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-] ZINC000776540195 605441060 /nfs/dbraw/zinc/44/10/60/605441060.db2.gz OQEKVIBOHGYVGT-ZETCQYMHSA-N -2 3 372.168 0.321 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cnn(C)c1 ZINC000819866219 606176694 /nfs/dbraw/zinc/17/66/94/606176694.db2.gz KXPZPFQRRBRDDK-VIFPVBQESA-N -2 3 361.387 0.209 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC000819866219 606176696 /nfs/dbraw/zinc/17/66/96/606176696.db2.gz KXPZPFQRRBRDDK-VIFPVBQESA-N -2 3 361.387 0.209 20 0 FCADHL O=C(CC[C@H]1CCOC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822950662 606406711 /nfs/dbraw/zinc/40/67/11/606406711.db2.gz WTGOGFRKNWJDLP-NSHDSACASA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CC[C@H]1CCOC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822950662 606406713 /nfs/dbraw/zinc/40/67/13/606406713.db2.gz WTGOGFRKNWJDLP-NSHDSACASA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822950410 606408021 /nfs/dbraw/zinc/40/80/21/606408021.db2.gz NECRVCPJLQVJNJ-LLVKDONJSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822950410 606408022 /nfs/dbraw/zinc/40/80/22/606408022.db2.gz NECRVCPJLQVJNJ-LLVKDONJSA-N -2 3 365.415 0.629 20 0 FCADHL CCOCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821373955 606408867 /nfs/dbraw/zinc/40/88/67/606408867.db2.gz PEVJWAXRUBVLNX-UHFFFAOYSA-N -2 3 359.795 0.752 20 0 FCADHL CCOCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821373955 606408869 /nfs/dbraw/zinc/40/88/69/606408869.db2.gz PEVJWAXRUBVLNX-UHFFFAOYSA-N -2 3 359.795 0.752 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c(F)c1 ZINC000822267419 606410792 /nfs/dbraw/zinc/41/07/92/606410792.db2.gz SGHJXIPCXTUAKB-UHFFFAOYSA-N -2 3 364.362 0.771 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c(F)c1 ZINC000822267419 606410794 /nfs/dbraw/zinc/41/07/94/606410794.db2.gz SGHJXIPCXTUAKB-UHFFFAOYSA-N -2 3 364.362 0.771 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)n1 ZINC000821860089 606459900 /nfs/dbraw/zinc/45/99/00/606459900.db2.gz WWGHKVWHWVBNKK-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)n1 ZINC000821860089 606459901 /nfs/dbraw/zinc/45/99/01/606459901.db2.gz WWGHKVWHWVBNKK-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822527905 606460174 /nfs/dbraw/zinc/46/01/74/606460174.db2.gz JVKIFRMAOLNVSX-UHFFFAOYSA-N -2 3 354.373 0.652 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822527905 606460176 /nfs/dbraw/zinc/46/01/76/606460176.db2.gz JVKIFRMAOLNVSX-UHFFFAOYSA-N -2 3 354.373 0.652 20 0 FCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000819818865 606710193 /nfs/dbraw/zinc/71/01/93/606710193.db2.gz WPOPUGOWNQGMGS-UHFFFAOYSA-N -2 3 362.375 0.359 20 0 FCADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nn(C)cc3-c3nnn[n-]3)ccc2O1 ZINC000820813800 606710226 /nfs/dbraw/zinc/71/02/26/606710226.db2.gz NGJAQPVFPQPJDN-MRVPVSSYSA-N -2 3 361.387 0.724 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1C(=O)[O-] ZINC000822266925 606711503 /nfs/dbraw/zinc/71/15/03/606711503.db2.gz KJXUEXISWHNOOC-UHFFFAOYSA-N -3 3 363.359 0.408 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCCO1 ZINC000820577665 606745801 /nfs/dbraw/zinc/74/58/01/606745801.db2.gz TUACXNMRBZROFC-CQSZACIVSA-N -2 3 351.388 0.382 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCCO1 ZINC000820577665 606745803 /nfs/dbraw/zinc/74/58/03/606745803.db2.gz TUACXNMRBZROFC-CQSZACIVSA-N -2 3 351.388 0.382 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC000820973163 606839379 /nfs/dbraw/zinc/83/93/79/606839379.db2.gz UQDGXJQSFYHXGV-OLZOCXBDSA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC000820973163 606839380 /nfs/dbraw/zinc/83/93/80/606839380.db2.gz UQDGXJQSFYHXGV-OLZOCXBDSA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820973643 606839477 /nfs/dbraw/zinc/83/94/77/606839477.db2.gz YUPYOSKSXBZRIT-CHWSQXEVSA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820973643 606839479 /nfs/dbraw/zinc/83/94/79/606839479.db2.gz YUPYOSKSXBZRIT-CHWSQXEVSA-N -2 3 365.415 0.770 20 0 FCADHL C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cncc([O-])c1 ZINC000820788328 606855027 /nfs/dbraw/zinc/85/50/27/606855027.db2.gz DNPSGTIATIHZPB-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nncn1C ZINC000820437603 606885789 /nfs/dbraw/zinc/88/57/89/606885789.db2.gz AIARATJEOOHNBC-LURJTMIESA-N -2 3 370.345 0.313 20 0 FCADHL Cn1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000822679304 606888960 /nfs/dbraw/zinc/88/89/60/606888960.db2.gz AIZCNBOMCICVJK-UHFFFAOYSA-N -2 3 355.330 0.357 20 0 FCADHL O=S(=O)([N-]CC1CCOCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572647 606889035 /nfs/dbraw/zinc/88/90/35/606889035.db2.gz JRTVOIHAVLPVGF-UHFFFAOYSA-N -2 3 359.358 0.850 20 0 FCADHL CN1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1=O ZINC000821623962 606894526 /nfs/dbraw/zinc/89/45/26/606894526.db2.gz WHZZFTPNXGBBLR-SNVBAGLBSA-N -2 3 372.357 0.044 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820677290 606917060 /nfs/dbraw/zinc/91/70/60/606917060.db2.gz QHHWSFRSBLEDPQ-SKDRFNHKSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820677290 606917062 /nfs/dbraw/zinc/91/70/62/606917062.db2.gz QHHWSFRSBLEDPQ-SKDRFNHKSA-N -2 3 351.388 0.380 20 0 FCADHL COC(=O)c1csc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000821671189 607026221 /nfs/dbraw/zinc/02/62/21/607026221.db2.gz LMWSOVHUUZKOOK-UHFFFAOYSA-N -2 3 372.413 0.972 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC1(CC(=O)[O-])CCC1 ZINC000821700039 607108616 /nfs/dbraw/zinc/10/86/16/607108616.db2.gz BBOPQMUJYCWGEY-UHFFFAOYSA-N -2 3 361.358 0.768 20 0 FCADHL O=C([O-])c1csc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823036543 607110752 /nfs/dbraw/zinc/11/07/52/607110752.db2.gz GNBHENNBOLWEFU-UHFFFAOYSA-N -2 3 360.355 0.717 20 0 FCADHL NC(=O)c1sccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822890088 607118288 /nfs/dbraw/zinc/11/82/88/607118288.db2.gz LXLMVHPLPVHJIE-UHFFFAOYSA-N -2 3 350.385 0.828 20 0 FCADHL NC(=O)c1sccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822890088 607118290 /nfs/dbraw/zinc/11/82/90/607118290.db2.gz LXLMVHPLPVHJIE-UHFFFAOYSA-N -2 3 350.385 0.828 20 0 FCADHL COCCOCCS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826160969 607846475 /nfs/dbraw/zinc/84/64/75/607846475.db2.gz OHRNPELWMQGWJW-UHFFFAOYSA-N -2 3 373.439 0.223 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826461418 608011496 /nfs/dbraw/zinc/01/14/96/608011496.db2.gz UJDRZVHMGGTSMY-JTQLQIEISA-N -2 3 351.388 0.742 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826461418 608011497 /nfs/dbraw/zinc/01/14/97/608011497.db2.gz UJDRZVHMGGTSMY-JTQLQIEISA-N -2 3 351.388 0.742 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826402700 608076587 /nfs/dbraw/zinc/07/65/87/608076587.db2.gz ZZZPFXVUORFQBS-GZTOBOFZSA-N -2 3 363.399 0.362 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826402700 608076588 /nfs/dbraw/zinc/07/65/88/608076588.db2.gz ZZZPFXVUORFQBS-GZTOBOFZSA-N -2 3 363.399 0.362 20 0 FCADHL O=C1CCCc2cc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)ccc2N1 ZINC000826480828 608307033 /nfs/dbraw/zinc/30/70/33/608307033.db2.gz SSFDBPUVIKHEKX-UHFFFAOYSA-N -2 3 374.386 0.665 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000824377300 608454946 /nfs/dbraw/zinc/45/49/46/608454946.db2.gz BGGGEKQWLVHIRK-UHFFFAOYSA-N -2 3 350.364 0.091 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000824377300 608454948 /nfs/dbraw/zinc/45/49/48/608454948.db2.gz BGGGEKQWLVHIRK-UHFFFAOYSA-N -2 3 350.364 0.091 20 0 FCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825659652 608819725 /nfs/dbraw/zinc/81/97/25/608819725.db2.gz YAZCEUNPQCZXLO-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825659652 608819729 /nfs/dbraw/zinc/81/97/29/608819729.db2.gz YAZCEUNPQCZXLO-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CSCCS1 ZINC000826450276 609139772 /nfs/dbraw/zinc/13/97/72/609139772.db2.gz DUSLPWFIMAGEOJ-SNVBAGLBSA-N -2 3 371.469 0.520 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CSCCS1 ZINC000826450276 609139773 /nfs/dbraw/zinc/13/97/73/609139773.db2.gz DUSLPWFIMAGEOJ-SNVBAGLBSA-N -2 3 371.469 0.520 20 0 FCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)CCOC ZINC000826162656 609469515 /nfs/dbraw/zinc/46/95/15/609469515.db2.gz MJWMGYLSLWSFDG-UHFFFAOYSA-N -2 3 357.392 0.280 20 0 FCADHL CCC(=O)[N-][N-]S(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC ZINC000070774823 666579154 /nfs/dbraw/zinc/57/91/54/666579154.db2.gz OWRQKMXGMQRJDX-VOTSOKGWSA-N -2 3 372.399 0.610 20 0 FCADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000070776490 666579158 /nfs/dbraw/zinc/57/91/58/666579158.db2.gz XNOLDCVKCWGUFA-UHFFFAOYSA-N -3 3 359.360 0.059 20 0 FCADHL NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000917748456 667085185 /nfs/dbraw/zinc/08/51/85/667085185.db2.gz JGSZYMXHPPQSAW-UHFFFAOYSA-N -2 3 374.371 0.972 20 0 FCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000774920779 668183962 /nfs/dbraw/zinc/18/39/62/668183962.db2.gz XPUJMRAHHVVVOX-UHFFFAOYSA-N -2 3 356.335 0.447 20 0 FCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-] ZINC000776443635 668262954 /nfs/dbraw/zinc/26/29/54/668262954.db2.gz FGUNDDYXQNNVMD-ZETCQYMHSA-N -2 3 372.168 0.321 20 0 FCADHL CO[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784899734 668681122 /nfs/dbraw/zinc/68/11/22/668681122.db2.gz XOAYZCKNALSBSI-MRVPVSSYSA-N -2 3 368.408 0.427 20 0 FCADHL CC(C)C[C@@H](NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000820056292 669052047 /nfs/dbraw/zinc/05/20/47/669052047.db2.gz OLUKBHJFBDNEJV-GFCCVEGCSA-N -2 3 353.404 0.785 20 0 FCADHL O=C(c1ccc(Br)cc1[O-])N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148701 669212805 /nfs/dbraw/zinc/21/28/05/669212805.db2.gz NLRQMKXKCFJDCT-UHFFFAOYSA-N -2 3 368.191 0.792 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000824744846 669411512 /nfs/dbraw/zinc/41/15/12/669411512.db2.gz HGNIGHKVXVHGDM-BJOHPYRUSA-N -2 3 363.399 0.711 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000824744846 669411518 /nfs/dbraw/zinc/41/15/18/669411518.db2.gz HGNIGHKVXVHGDM-BJOHPYRUSA-N -2 3 363.399 0.711 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824864784 669421388 /nfs/dbraw/zinc/42/13/88/669421388.db2.gz FMWJHBSQFOUHFB-GHMZBOCLSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824864784 669421391 /nfs/dbraw/zinc/42/13/91/669421391.db2.gz FMWJHBSQFOUHFB-GHMZBOCLSA-N -2 3 365.415 0.628 20 0 FCADHL COCCS(=O)(=O)[N-]c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC000826163025 669486476 /nfs/dbraw/zinc/48/64/76/669486476.db2.gz CWWXLLGNDVPPTL-UHFFFAOYSA-N -2 3 363.197 0.412 20 0 FCADHL COCCS(=O)(=O)[N-]c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC000826163025 669486480 /nfs/dbraw/zinc/48/64/80/669486480.db2.gz CWWXLLGNDVPPTL-UHFFFAOYSA-N -2 3 363.197 0.412 20 0 FCADHL Cn1[n-]c(Cn2cc(-c3nnn[n-]3)c(=O)c3cc(Cl)ccc32)nc1=O ZINC000826365829 669492333 /nfs/dbraw/zinc/49/23/33/669492333.db2.gz FZFUZQRWBHWQOV-UHFFFAOYSA-N -2 3 358.749 0.305 20 0 FCADHL Cn1[n-]c(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)nc1=O ZINC000826365829 669492334 /nfs/dbraw/zinc/49/23/34/669492334.db2.gz FZFUZQRWBHWQOV-UHFFFAOYSA-N -2 3 358.749 0.305 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)cc1C(N)=O ZINC000826362458 669492392 /nfs/dbraw/zinc/49/23/92/669492392.db2.gz SWQHRDAXHDYXFF-UHFFFAOYSA-N -2 3 365.350 0.244 20 0 FCADHL O=C([N-]CC1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1)C(F)(F)F ZINC000831144665 669830961 /nfs/dbraw/zinc/83/09/61/669830961.db2.gz LLOHEOJJIMZPPJ-UHFFFAOYSA-N -2 3 355.272 0.321 20 0 FCADHL COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833720749 669937226 /nfs/dbraw/zinc/93/72/26/669937226.db2.gz FMNAYVDBQJCKIT-LLVKDONJSA-N -2 3 352.390 0.088 20 0 FCADHL CC(C)[C@@H](CO)O[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000836898018 670066678 /nfs/dbraw/zinc/06/66/78/670066678.db2.gz UTGVPMFWJPIJGT-MRVPVSSYSA-N -2 3 356.853 0.745 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)c(F)cc1F ZINC000844892577 670952825 /nfs/dbraw/zinc/95/28/25/670952825.db2.gz FFUKPZUWANBSAV-ZCFIWIBFSA-N -2 3 355.340 0.128 20 0 FCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-])c1 ZINC000863408614 672122113 /nfs/dbraw/zinc/12/21/13/672122113.db2.gz ROHHYPMNTJJOSE-NSHDSACASA-N -2 3 361.347 0.713 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1 ZINC000800025100 673411131 /nfs/dbraw/zinc/41/11/31/673411131.db2.gz CJQBZEVKPGNPGY-LBPRGKRZSA-N -2 3 364.763 0.044 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000974856208 1183582061 /nfs/dbraw/zinc/58/20/61/1183582061.db2.gz KGEUIGUXHGEIFS-VXGBXAGGSA-N -2 3 369.381 0.578 20 0 FCADHL C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000983744545 1188307858 /nfs/dbraw/zinc/30/78/58/1188307858.db2.gz RVKMZQOMIPGBDP-NEPJUHHUSA-N -2 3 371.397 0.954 20 0 FCADHL O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076333048 1194402992 /nfs/dbraw/zinc/40/29/92/1194402992.db2.gz KCWKREREHMKZOI-CMPLNLGQSA-N -2 3 371.401 0.230 20 0 FCADHL O=C([O-])CN1CCCn2nc(C(=O)[N-]c3noc4cccnc43)cc2C1=O ZINC001178362609 1206356073 /nfs/dbraw/zinc/35/60/73/1206356073.db2.gz UVNSLSBJADUISB-UHFFFAOYSA-N -2 3 370.325 0.602 20 0 FCADHL CONC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185612554 1206483584 /nfs/dbraw/zinc/48/35/84/1206483584.db2.gz ODQWZBVWYDPFDR-UHFFFAOYSA-N -2 3 374.382 0.959 20 0 FCADHL CONC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185612554 1206483586 /nfs/dbraw/zinc/48/35/86/1206483586.db2.gz ODQWZBVWYDPFDR-UHFFFAOYSA-N -2 3 374.382 0.959 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801703884 1218146950 /nfs/dbraw/zinc/14/69/50/1218146950.db2.gz YHPISBSCPAITLW-UHFFFAOYSA-N -2 3 351.370 0.888 20 0 FCADHL Cc1nc(C)c(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)c(=O)[n-]1 ZINC001098384922 1219770362 /nfs/dbraw/zinc/77/03/62/1219770362.db2.gz SXDWOAPRLKIQQD-RTXFEEFZSA-N -2 3 373.417 0.087 20 0 FCADHL CN(C)CCC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001229304081 1225999033 /nfs/dbraw/zinc/99/90/33/1225999033.db2.gz ZDKFSMSWHMSPFP-DOMZBBRYSA-N -2 3 367.354 0.263 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001580337482 1278134329 /nfs/dbraw/zinc/13/43/29/1278134329.db2.gz CFVMPIOHZUJNPH-MWLCHTKSSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001580337482 1278134332 /nfs/dbraw/zinc/13/43/32/1278134332.db2.gz CFVMPIOHZUJNPH-MWLCHTKSSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001580348921 1278148784 /nfs/dbraw/zinc/14/87/84/1278148784.db2.gz YFKMUZVVJGRBGJ-ZWNOBZJWSA-N -2 3 366.385 0.617 20 0 FCADHL C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001580348921 1278148785 /nfs/dbraw/zinc/14/87/85/1278148785.db2.gz YFKMUZVVJGRBGJ-ZWNOBZJWSA-N -2 3 366.385 0.617 20 0 FCADHL C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574794066 1271529788 /nfs/dbraw/zinc/52/97/88/1271529788.db2.gz CWTKDMROINJTTI-JTQLQIEISA-N -2 3 354.374 0.617 20 0 FCADHL C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001575438995 1272107915 /nfs/dbraw/zinc/10/79/15/1272107915.db2.gz RPJUWNQOPGOZOI-NXEZZACHSA-N -2 3 354.374 0.859 20 0 FCADHL CC1(C)CC[C@@H](CO)N(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001575669235 1272279204 /nfs/dbraw/zinc/27/92/04/1272279204.db2.gz USSCOLLQCMVNCF-NSHDSACASA-N -2 3 358.406 0.598 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576916763 1273934623 /nfs/dbraw/zinc/93/46/23/1273934623.db2.gz GEXWJTDWUKPPAF-JTQLQIEISA-N -2 3 369.389 0.686 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576916763 1273934627 /nfs/dbraw/zinc/93/46/27/1273934627.db2.gz GEXWJTDWUKPPAF-JTQLQIEISA-N -2 3 369.389 0.686 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576919103 1273940169 /nfs/dbraw/zinc/94/01/69/1273940169.db2.gz QFZWSMCKNNSQBH-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576919103 1273940175 /nfs/dbraw/zinc/94/01/75/1273940175.db2.gz QFZWSMCKNNSQBH-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL CCN(c1cncc(-c2nnn[n-]2)n1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001578201463 1275492062 /nfs/dbraw/zinc/49/20/62/1275492062.db2.gz YBVGNXQBKZGMHV-MRVPVSSYSA-N -2 3 372.393 0.039 20 0 FCADHL CCN(c1nccnc1-c1nnn[n-]1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001578208867 1275502174 /nfs/dbraw/zinc/50/21/74/1275502174.db2.gz HFKRHSMIMSNADS-SNVBAGLBSA-N -2 3 369.389 0.402 20 0 FCADHL CCN(c1nccnc1-c1nn[n-]n1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001578208867 1275502180 /nfs/dbraw/zinc/50/21/80/1275502180.db2.gz HFKRHSMIMSNADS-SNVBAGLBSA-N -2 3 369.389 0.402 20 0 FCADHL CCc1nc(N[C@H](C)CNC(=O)c2ncccc2[O-])cc(-c2nnn[n-]2)n1 ZINC001578628230 1276074220 /nfs/dbraw/zinc/07/42/20/1276074220.db2.gz MSGGSPNAXHYYCQ-SECBINFHSA-N -2 3 369.389 0.550 20 0 FCADHL CCc1nc(N[C@H](C)CNC(=O)c2ncccc2[O-])cc(-c2nn[n-]n2)n1 ZINC001578628230 1276074228 /nfs/dbraw/zinc/07/42/28/1276074228.db2.gz MSGGSPNAXHYYCQ-SECBINFHSA-N -2 3 369.389 0.550 20 0 FCADHL CCc1nc(NCCCNC(=O)c2ncccc2[O-])cc(-c2nnn[n-]2)n1 ZINC001578659061 1276108419 /nfs/dbraw/zinc/10/84/19/1276108419.db2.gz CRYKHAGEQOBVOM-UHFFFAOYSA-N -2 3 369.389 0.552 20 0 FCADHL CCc1nc(NCCCNC(=O)c2ncccc2[O-])cc(-c2nn[n-]n2)n1 ZINC001578659061 1276108425 /nfs/dbraw/zinc/10/84/25/1276108425.db2.gz CRYKHAGEQOBVOM-UHFFFAOYSA-N -2 3 369.389 0.552 20 0 FCADHL CCn1[n-]nnc1=NC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001578838205 1276357613 /nfs/dbraw/zinc/35/76/13/1276357613.db2.gz JBFPOXVVYKYCRD-UHFFFAOYSA-N -2 3 354.378 0.496 20 0 FCADHL CCn1[n-]nnc1=NC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001578838205 1276357617 /nfs/dbraw/zinc/35/76/17/1276357617.db2.gz JBFPOXVVYKYCRD-UHFFFAOYSA-N -2 3 354.378 0.496 20 0 FCADHL CN(CCCN(C)c1nccnc1-c1nnn[n-]1)C(=O)c1ncccc1[O-] ZINC001579122662 1276798075 /nfs/dbraw/zinc/79/80/75/1276798075.db2.gz PHFAFOOAJVXWGS-UHFFFAOYSA-N -2 3 369.389 0.356 20 0 FCADHL CN(CCCN(C)c1nccnc1-c1nn[n-]n1)C(=O)c1ncccc1[O-] ZINC001579122662 1276798083 /nfs/dbraw/zinc/79/80/83/1276798083.db2.gz PHFAFOOAJVXWGS-UHFFFAOYSA-N -2 3 369.389 0.356 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)c1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001579266541 1277063379 /nfs/dbraw/zinc/06/33/79/1277063379.db2.gz RBNZPEIWGJKUHD-UHFFFAOYSA-N -2 3 352.152 0.942 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)c1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001579266541 1277063383 /nfs/dbraw/zinc/06/33/83/1277063383.db2.gz RBNZPEIWGJKUHD-UHFFFAOYSA-N -2 3 352.152 0.942 20 0 FCADHL CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579289743 1277113796 /nfs/dbraw/zinc/11/37/96/1277113796.db2.gz MNBXUSFOTOSRAT-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579289743 1277113797 /nfs/dbraw/zinc/11/37/97/1277113797.db2.gz MNBXUSFOTOSRAT-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL COCCN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCOCC1 ZINC001579810189 1277921195 /nfs/dbraw/zinc/92/11/95/1277921195.db2.gz RDZFCRZOGRMCGZ-UHFFFAOYSA-N -2 3 374.405 0.242 20 0 FCADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)N(C)C ZINC001603236846 1287337522 /nfs/dbraw/zinc/33/75/22/1287337522.db2.gz JEPXFENNVMSBMS-GFCCVEGCSA-N -2 3 368.419 0.193 20 0 FCADHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)N(C)C ZINC001603236846 1287337525 /nfs/dbraw/zinc/33/75/25/1287337525.db2.gz JEPXFENNVMSBMS-GFCCVEGCSA-N -2 3 368.419 0.193 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581086826 1279350744 /nfs/dbraw/zinc/35/07/44/1279350744.db2.gz JWWVFHUXSQYLPO-DTWKUNHWSA-N -2 3 371.405 0.926 20 0 FCADHL CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001603299440 1287349575 /nfs/dbraw/zinc/34/95/75/1287349575.db2.gz HEQIBVYJKCYRRD-SNVBAGLBSA-N -2 3 353.404 0.733 20 0 FCADHL CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001603299440 1287349578 /nfs/dbraw/zinc/34/95/78/1287349578.db2.gz HEQIBVYJKCYRRD-SNVBAGLBSA-N -2 3 353.404 0.733 20 0 FCADHL CC(C)N(CC(=O)[O-])S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001603319151 1287354774 /nfs/dbraw/zinc/35/47/74/1287354774.db2.gz LZVOVAOQTFYLCQ-UHFFFAOYSA-N -2 3 361.330 0.629 20 0 FCADHL CC(C)N(CC(=O)[O-])S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001603319151 1287354778 /nfs/dbraw/zinc/35/47/78/1287354778.db2.gz LZVOVAOQTFYLCQ-UHFFFAOYSA-N -2 3 361.330 0.629 20 0 FCADHL CCOCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609240646 1289014994 /nfs/dbraw/zinc/01/49/94/1289014994.db2.gz UQPAHOAMLQPCJI-UHFFFAOYSA-N -2 3 353.404 0.629 20 0 FCADHL CCOCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609240646 1289014997 /nfs/dbraw/zinc/01/49/97/1289014997.db2.gz UQPAHOAMLQPCJI-UHFFFAOYSA-N -2 3 353.404 0.629 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581390642 1279820703 /nfs/dbraw/zinc/82/07/03/1279820703.db2.gz ALEKSMNHIFPRHF-HTQZYQBOSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581391621 1279822049 /nfs/dbraw/zinc/82/20/49/1279822049.db2.gz LHVPLEANYVAIBN-MRVPVSSYSA-N -2 3 357.378 0.477 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581391621 1279822051 /nfs/dbraw/zinc/82/20/51/1279822051.db2.gz LHVPLEANYVAIBN-MRVPVSSYSA-N -2 3 357.378 0.477 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C2CC2)c1[O-] ZINC001581391792 1279823440 /nfs/dbraw/zinc/82/34/40/1279823440.db2.gz WVMLRNQRMLDUKG-LBPRGKRZSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)c1[O-] ZINC001581391792 1279823446 /nfs/dbraw/zinc/82/34/46/1279823446.db2.gz WVMLRNQRMLDUKG-LBPRGKRZSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)CNc2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581392097 1279823731 /nfs/dbraw/zinc/82/37/31/1279823731.db2.gz VKUGCKDTSIUNMR-MRVPVSSYSA-N -2 3 357.378 0.477 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1[O-] ZINC001581391883 1279824628 /nfs/dbraw/zinc/82/46/28/1279824628.db2.gz ZOFSOBPNKNOZPS-SFYZADRCSA-N -2 3 372.393 0.403 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1[O-] ZINC001581391883 1279824630 /nfs/dbraw/zinc/82/46/30/1279824630.db2.gz ZOFSOBPNKNOZPS-SFYZADRCSA-N -2 3 372.393 0.403 20 0 FCADHL C[C@H](CN(C)S(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001603510214 1287395355 /nfs/dbraw/zinc/39/53/55/1287395355.db2.gz QHXMJMPFDXACSH-SSDOTTSWSA-N -2 3 359.795 0.861 20 0 FCADHL C[C@H](CN(C)S(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001603510214 1287395358 /nfs/dbraw/zinc/39/53/58/1287395358.db2.gz QHXMJMPFDXACSH-SSDOTTSWSA-N -2 3 359.795 0.861 20 0 FCADHL CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603601971 1287434221 /nfs/dbraw/zinc/43/42/21/1287434221.db2.gz GKPURLRFYAKNQP-MFKMUULPSA-N -2 3 374.401 0.517 20 0 FCADHL CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603601971 1287434228 /nfs/dbraw/zinc/43/42/28/1287434228.db2.gz GKPURLRFYAKNQP-MFKMUULPSA-N -2 3 374.401 0.517 20 0 FCADHL NC(=O)c1ccccc1NCC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001581905613 1280700133 /nfs/dbraw/zinc/70/01/33/1280700133.db2.gz SSXMPNHSNRURFH-UHFFFAOYSA-N -2 3 353.342 0.488 20 0 FCADHL NC(=O)c1ccccc1NCC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001581905613 1280700136 /nfs/dbraw/zinc/70/01/36/1280700136.db2.gz SSXMPNHSNRURFH-UHFFFAOYSA-N -2 3 353.342 0.488 20 0 FCADHL C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001603676674 1287465536 /nfs/dbraw/zinc/46/55/36/1287465536.db2.gz LKAPNJYDCJRCOI-RQJHMYQMSA-N -2 3 359.795 0.908 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001582133564 1281089780 /nfs/dbraw/zinc/08/97/80/1281089780.db2.gz KXQJPUVKJCWGLL-UHFFFAOYSA-N -2 3 374.386 0.072 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001582185738 1281165265 /nfs/dbraw/zinc/16/52/65/1281165265.db2.gz RGVFTMCXWMUEGR-UHFFFAOYSA-N -2 3 355.293 0.029 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001582185738 1281165270 /nfs/dbraw/zinc/16/52/70/1281165270.db2.gz RGVFTMCXWMUEGR-UHFFFAOYSA-N -2 3 355.293 0.029 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844280 1287515949 /nfs/dbraw/zinc/51/59/49/1287515949.db2.gz CSLBOSZNQWFRIZ-GXFFZTMASA-N -2 3 365.415 0.739 20 0 FCADHL O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ncccc1[O-] ZINC001582541977 1281733764 /nfs/dbraw/zinc/73/37/64/1281733764.db2.gz IHRFNYAGHHCUPJ-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ncccc1[O-] ZINC001582541977 1281733770 /nfs/dbraw/zinc/73/37/70/1281733770.db2.gz IHRFNYAGHHCUPJ-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ncccc1[O-] ZINC001582608636 1281801630 /nfs/dbraw/zinc/80/16/30/1281801630.db2.gz NNUQHVSPITWFMM-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ncccc1[O-] ZINC001582608636 1281801635 /nfs/dbraw/zinc/80/16/35/1281801635.db2.gz NNUQHVSPITWFMM-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1cccc(F)c1[O-] ZINC001582629804 1281833285 /nfs/dbraw/zinc/83/32/85/1281833285.db2.gz BHHVMOAGKYDBAI-UHFFFAOYSA-N -2 3 374.336 0.523 20 0 FCADHL O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1cccc(F)c1[O-] ZINC001582629804 1281833287 /nfs/dbraw/zinc/83/32/87/1281833287.db2.gz BHHVMOAGKYDBAI-UHFFFAOYSA-N -2 3 374.336 0.523 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)CC[C@@H]1C(=O)[O-] ZINC001603912888 1287530300 /nfs/dbraw/zinc/53/03/00/1287530300.db2.gz LQVDWYUARSKJBL-SFYZADRCSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)CC[C@@H]1C(=O)[O-] ZINC001603912888 1287530304 /nfs/dbraw/zinc/53/03/04/1287530304.db2.gz LQVDWYUARSKJBL-SFYZADRCSA-N -2 3 364.387 0.436 20 0 FCADHL O=C(c1ccccc1[O-])N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001582712613 1281919445 /nfs/dbraw/zinc/91/94/45/1281919445.db2.gz TXAZFSXOVOSUPV-SNVBAGLBSA-N -2 3 352.358 0.111 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001582751704 1281975600 /nfs/dbraw/zinc/97/56/00/1281975600.db2.gz SFTJHWFPANRATM-SECBINFHSA-N -2 3 353.346 0.084 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001582751704 1281975611 /nfs/dbraw/zinc/97/56/11/1281975611.db2.gz SFTJHWFPANRATM-SECBINFHSA-N -2 3 353.346 0.084 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001603939456 1287539403 /nfs/dbraw/zinc/53/94/03/1287539403.db2.gz UTCSWQSGRXOBDZ-FWWHASMVSA-N -2 3 373.416 0.179 20 0 FCADHL O=S(=O)(NCc1nc(-c2nnn[n-]2)cs1)c1cc([O-])cc(F)c1 ZINC001582797225 1282018105 /nfs/dbraw/zinc/01/81/05/1282018105.db2.gz JSTFCXNAGBJULS-UHFFFAOYSA-N -2 3 356.364 0.646 20 0 FCADHL O=S(=O)(NCc1nc(-c2nn[n-]n2)cs1)c1cc([O-])cc(F)c1 ZINC001582797225 1282018115 /nfs/dbraw/zinc/01/81/15/1282018115.db2.gz JSTFCXNAGBJULS-UHFFFAOYSA-N -2 3 356.364 0.646 20 0 FCADHL O=S(=O)(c1ncc[n-]1)N1CCC(Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001582801716 1282027435 /nfs/dbraw/zinc/02/74/35/1282027435.db2.gz PHZAAVUUBDBKNA-UHFFFAOYSA-N -2 3 374.430 0.855 20 0 FCADHL O=c1cc(CN2CC[C@@](O)(C(F)(F)F)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814702 1282036956 /nfs/dbraw/zinc/03/69/56/1282036956.db2.gz ROLWJDCBXSTDFR-LBPRGKRZSA-N -2 3 370.295 0.114 20 0 FCADHL CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001604081629 1287566437 /nfs/dbraw/zinc/56/64/37/1287566437.db2.gz HGPZGUIMAYWGPG-CQSZACIVSA-N -2 3 351.388 0.885 20 0 FCADHL CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001604081629 1287566442 /nfs/dbraw/zinc/56/64/42/1287566442.db2.gz HGPZGUIMAYWGPG-CQSZACIVSA-N -2 3 351.388 0.885 20 0 FCADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001587854005 1282382078 /nfs/dbraw/zinc/38/20/78/1282382078.db2.gz HVDCSCYLSGNXGE-GFCCVEGCSA-N -2 3 364.280 0.180 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001604081889 1287568541 /nfs/dbraw/zinc/56/85/41/1287568541.db2.gz SMISMQVOXSNDKC-OAHLLOKOSA-N -2 3 365.415 0.883 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001604081889 1287568542 /nfs/dbraw/zinc/56/85/42/1287568542.db2.gz SMISMQVOXSNDKC-OAHLLOKOSA-N -2 3 365.415 0.883 20 0 FCADHL C[C@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)n1cnc(-c2nnn[n-]2)n1 ZINC001589015440 1282768473 /nfs/dbraw/zinc/76/84/73/1282768473.db2.gz KOVWGZXKTVESPK-SECBINFHSA-N -2 3 366.345 0.549 20 0 FCADHL C[C@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589015440 1282768479 /nfs/dbraw/zinc/76/84/79/1282768479.db2.gz KOVWGZXKTVESPK-SECBINFHSA-N -2 3 366.345 0.549 20 0 FCADHL CC(C)(C)c1nc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)no1 ZINC001589243907 1282817551 /nfs/dbraw/zinc/81/75/51/1282817551.db2.gz NPEKRCWDHSIHBF-UHFFFAOYSA-N -2 3 350.364 0.743 20 0 FCADHL CC(C)(C)c1nc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)no1 ZINC001589243907 1282817561 /nfs/dbraw/zinc/81/75/61/1282817561.db2.gz NPEKRCWDHSIHBF-UHFFFAOYSA-N -2 3 350.364 0.743 20 0 FCADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2c[nH]c(=O)s2)n1 ZINC001589250143 1282818326 /nfs/dbraw/zinc/81/83/26/1282818326.db2.gz BRIJPEIXCZVLIJ-UHFFFAOYSA-N -2 3 370.420 0.781 20 0 FCADHL CC(C)(CCNC(=O)C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)C(=O)[O-] ZINC001589276001 1282824912 /nfs/dbraw/zinc/82/49/12/1282824912.db2.gz IUQRFGUMNZRMLN-UHFFFAOYSA-N -2 3 372.385 0.326 20 0 FCADHL CC(C)(CCNC(=O)C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)C(=O)[O-] ZINC001589276001 1282824919 /nfs/dbraw/zinc/82/49/19/1282824919.db2.gz IUQRFGUMNZRMLN-UHFFFAOYSA-N -2 3 372.385 0.326 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2N)cc1=O ZINC001589668642 1282935645 /nfs/dbraw/zinc/93/56/45/1282935645.db2.gz ZWBWHNVQTZJWML-UHFFFAOYSA-N -2 3 374.380 0.915 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2N)cc1=O ZINC001589668642 1282935655 /nfs/dbraw/zinc/93/56/55/1282935655.db2.gz ZWBWHNVQTZJWML-UHFFFAOYSA-N -2 3 374.380 0.915 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001589783522 1283000604 /nfs/dbraw/zinc/00/06/04/1283000604.db2.gz AKXAATBHHHGONL-UHFFFAOYSA-N -2 3 367.416 0.824 20 0 FCADHL C[C@H](CCC(=O)[O-])CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001589803128 1283017193 /nfs/dbraw/zinc/01/71/93/1283017193.db2.gz NRJIKFSVTDAOJO-SECBINFHSA-N -2 3 371.394 0.926 20 0 FCADHL C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001589804724 1283018700 /nfs/dbraw/zinc/01/87/00/1283018700.db2.gz LIVKCQDJXJEFTP-MRVPVSSYSA-N -2 3 357.367 0.928 20 0 FCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]OC(C)(C)C ZINC001589977222 1283154196 /nfs/dbraw/zinc/15/41/96/1283154196.db2.gz PAPNDLJQLDCYHE-SECBINFHSA-N -2 3 368.419 0.380 20 0 FCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]OC(C)(C)C ZINC001589977222 1283154200 /nfs/dbraw/zinc/15/42/00/1283154200.db2.gz PAPNDLJQLDCYHE-SECBINFHSA-N -2 3 368.419 0.380 20 0 FCADHL C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590016929 1283176633 /nfs/dbraw/zinc/17/66/33/1283176633.db2.gz OCETUFKUVRBBQV-SECBINFHSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590016929 1283176634 /nfs/dbraw/zinc/17/66/34/1283176634.db2.gz OCETUFKUVRBBQV-SECBINFHSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCOC1 ZINC001590069068 1283199256 /nfs/dbraw/zinc/19/92/56/1283199256.db2.gz SQVBCQZTJVHQRG-ZDUSSCGKSA-N -2 3 371.806 0.752 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCOC1 ZINC001590069068 1283199259 /nfs/dbraw/zinc/19/92/59/1283199259.db2.gz SQVBCQZTJVHQRG-ZDUSSCGKSA-N -2 3 371.806 0.752 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001590071837 1283200988 /nfs/dbraw/zinc/20/09/88/1283200988.db2.gz ZFNGMNZBAXTEOV-CQSZACIVSA-N -2 3 369.378 0.632 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001590071837 1283200994 /nfs/dbraw/zinc/20/09/94/1283200994.db2.gz ZFNGMNZBAXTEOV-CQSZACIVSA-N -2 3 369.378 0.632 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590071547 1283201209 /nfs/dbraw/zinc/20/12/09/1283201209.db2.gz PTJZCTICHTZXMF-CQSZACIVSA-N -2 3 351.388 0.742 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590071547 1283201218 /nfs/dbraw/zinc/20/12/18/1283201218.db2.gz PTJZCTICHTZXMF-CQSZACIVSA-N -2 3 351.388 0.742 20 0 FCADHL CC1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590070892 1283201670 /nfs/dbraw/zinc/20/16/70/1283201670.db2.gz DHYKFDFAZQEBKW-UHFFFAOYSA-N -2 3 372.385 0.196 20 0 FCADHL CC1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590070892 1283201677 /nfs/dbraw/zinc/20/16/77/1283201677.db2.gz DHYKFDFAZQEBKW-UHFFFAOYSA-N -2 3 372.385 0.196 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@H]1C(=O)[O-] ZINC001590100161 1283212814 /nfs/dbraw/zinc/21/28/14/1283212814.db2.gz NYEVCMLHAJWNNQ-NSHDSACASA-N -2 3 369.378 0.880 20 0 FCADHL CC1(C)CN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C(=O)[O-] ZINC001590106459 1283217580 /nfs/dbraw/zinc/21/75/80/1283217580.db2.gz JHUBQFMJZQBYMM-LLVKDONJSA-N -2 3 351.388 0.492 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C(=O)[O-])CO1 ZINC001590105853 1283217670 /nfs/dbraw/zinc/21/76/70/1283217670.db2.gz CEAWJQHBJXLELX-LLVKDONJSA-N -2 3 367.387 0.119 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C(=O)[O-])CO1 ZINC001590105853 1283217677 /nfs/dbraw/zinc/21/76/77/1283217677.db2.gz CEAWJQHBJXLELX-LLVKDONJSA-N -2 3 367.387 0.119 20 0 FCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001590142512 1283240674 /nfs/dbraw/zinc/24/06/74/1283240674.db2.gz FWYRCPMDKUWSRX-GFCCVEGCSA-N -2 3 357.296 0.478 20 0 FCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cnccc2-c2nnn[n-]2)C1 ZINC001590142764 1283241118 /nfs/dbraw/zinc/24/11/18/1283241118.db2.gz OSVOKPQPKLKETN-CYBMUJFWSA-N -2 3 369.307 0.545 20 0 FCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cnccc2-c2nn[n-]n2)C1 ZINC001590142764 1283241124 /nfs/dbraw/zinc/24/11/24/1283241124.db2.gz OSVOKPQPKLKETN-CYBMUJFWSA-N -2 3 369.307 0.545 20 0 FCADHL CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1F)C2 ZINC001590154474 1283249889 /nfs/dbraw/zinc/24/98/89/1283249889.db2.gz CUHFVKYDQLWFNP-UHFFFAOYSA-N -2 3 367.362 0.634 20 0 FCADHL CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1F)C2 ZINC001590154474 1283249897 /nfs/dbraw/zinc/24/98/97/1283249897.db2.gz CUHFVKYDQLWFNP-UHFFFAOYSA-N -2 3 367.362 0.634 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001590166437 1283259049 /nfs/dbraw/zinc/25/90/49/1283259049.db2.gz ZPMVVNFBTBJVGN-VXNVDRBHSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001590166437 1283259056 /nfs/dbraw/zinc/25/90/56/1283259056.db2.gz ZPMVVNFBTBJVGN-VXNVDRBHSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@H](C)O1 ZINC001590183269 1283290171 /nfs/dbraw/zinc/29/01/71/1283290171.db2.gz GHQIUAUZIDLILR-PTRXPTGYSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@H](C)O1 ZINC001590183269 1283290178 /nfs/dbraw/zinc/29/01/78/1283290178.db2.gz GHQIUAUZIDLILR-PTRXPTGYSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590185742 1283291373 /nfs/dbraw/zinc/29/13/73/1283291373.db2.gz PGJVXJJYCGRTEX-CMPLNLGQSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590185742 1283291379 /nfs/dbraw/zinc/29/13/79/1283291379.db2.gz PGJVXJJYCGRTEX-CMPLNLGQSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001590264858 1283386819 /nfs/dbraw/zinc/38/68/19/1283386819.db2.gz SJMPWNIIHNYJAJ-CMPLNLGQSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001590264858 1283386827 /nfs/dbraw/zinc/38/68/27/1283386827.db2.gz SJMPWNIIHNYJAJ-CMPLNLGQSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001590274630 1283401430 /nfs/dbraw/zinc/40/14/30/1283401430.db2.gz NPCAJHVTGAXMTD-DTWKUNHWSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001590274630 1283401433 /nfs/dbraw/zinc/40/14/33/1283401433.db2.gz NPCAJHVTGAXMTD-DTWKUNHWSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC001590276930 1283404951 /nfs/dbraw/zinc/40/49/51/1283404951.db2.gz RPIKWKPMFCKHMM-PRHODGIISA-N -2 3 369.378 0.737 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] ZINC001590276930 1283404955 /nfs/dbraw/zinc/40/49/55/1283404955.db2.gz RPIKWKPMFCKHMM-PRHODGIISA-N -2 3 369.378 0.737 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC001590276882 1283405424 /nfs/dbraw/zinc/40/54/24/1283405424.db2.gz RBUSXBOWNIJVJW-JOYOIKCWSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] ZINC001590276882 1283405431 /nfs/dbraw/zinc/40/54/31/1283405431.db2.gz RBUSXBOWNIJVJW-JOYOIKCWSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590301357 1283437583 /nfs/dbraw/zinc/43/75/83/1283437583.db2.gz CFVMPIOHZUJNPH-KOLCDFICSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590301357 1283437595 /nfs/dbraw/zinc/43/75/95/1283437595.db2.gz CFVMPIOHZUJNPH-KOLCDFICSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1C(=O)[O-] ZINC001590308595 1283452961 /nfs/dbraw/zinc/45/29/61/1283452961.db2.gz HPMZYZWIFWTJBD-SKDRFNHKSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1C(=O)[O-] ZINC001590308595 1283452968 /nfs/dbraw/zinc/45/29/68/1283452968.db2.gz HPMZYZWIFWTJBD-SKDRFNHKSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590335542 1283480701 /nfs/dbraw/zinc/48/07/01/1283480701.db2.gz HZOOIMPQMYLTOX-CBAPKCEASA-N -2 3 355.401 0.403 20 0 FCADHL C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590335542 1283480711 /nfs/dbraw/zinc/48/07/11/1283480711.db2.gz HZOOIMPQMYLTOX-CBAPKCEASA-N -2 3 355.401 0.403 20 0 FCADHL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590335544 1283481315 /nfs/dbraw/zinc/48/13/15/1283481315.db2.gz HZOOIMPQMYLTOX-VXNVDRBHSA-N -2 3 355.401 0.403 20 0 FCADHL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590335544 1283481318 /nfs/dbraw/zinc/48/13/18/1283481318.db2.gz HZOOIMPQMYLTOX-VXNVDRBHSA-N -2 3 355.401 0.403 20 0 FCADHL C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590354042 1283496572 /nfs/dbraw/zinc/49/65/72/1283496572.db2.gz RMHDDMAYRCHNPY-HPOULIHZSA-N -2 3 359.358 0.750 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1)CC(=O)[O-] ZINC001590447267 1283545338 /nfs/dbraw/zinc/54/53/38/1283545338.db2.gz VAQGDIJCJIMVBR-JTQLQIEISA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1)CC(=O)[O-] ZINC001590447267 1283545341 /nfs/dbraw/zinc/54/53/41/1283545341.db2.gz VAQGDIJCJIMVBR-JTQLQIEISA-N -2 3 353.404 0.954 20 0 FCADHL CCC[C@@H](O)[C@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC001590561083 1283608244 /nfs/dbraw/zinc/60/82/44/1283608244.db2.gz VCKMXLKJVWFTGJ-SKDRFNHKSA-N -2 3 369.403 0.068 20 0 FCADHL CCC[C@@H](O)[C@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC001590561083 1283608259 /nfs/dbraw/zinc/60/82/59/1283608259.db2.gz VCKMXLKJVWFTGJ-SKDRFNHKSA-N -2 3 369.403 0.068 20 0 FCADHL CCC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001590561486 1283609040 /nfs/dbraw/zinc/60/90/40/1283609040.db2.gz ZNYXKAQIRAUWCX-NSHDSACASA-N -2 3 353.404 0.795 20 0 FCADHL CCC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001590561486 1283609050 /nfs/dbraw/zinc/60/90/50/1283609050.db2.gz ZNYXKAQIRAUWCX-NSHDSACASA-N -2 3 353.404 0.795 20 0 FCADHL CCCC[C@H](NS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590582562 1283622329 /nfs/dbraw/zinc/62/23/29/1283622329.db2.gz ROVAKPYKBQLRAB-NSHDSACASA-N -2 3 354.392 0.492 20 0 FCADHL CCCC[C@H](NS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590582562 1283622339 /nfs/dbraw/zinc/62/23/39/1283622339.db2.gz ROVAKPYKBQLRAB-NSHDSACASA-N -2 3 354.392 0.492 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590619733 1283660522 /nfs/dbraw/zinc/66/05/22/1283660522.db2.gz BATUUTUJXHDJQY-LLVKDONJSA-N -2 3 366.447 0.748 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590619733 1283660536 /nfs/dbraw/zinc/66/05/36/1283660536.db2.gz BATUUTUJXHDJQY-LLVKDONJSA-N -2 3 366.447 0.748 20 0 FCADHL CCCc1cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[nH]n1 ZINC001590657054 1283707514 /nfs/dbraw/zinc/70/75/14/1283707514.db2.gz DGLQTJBXFSXTPW-UHFFFAOYSA-N -2 3 362.375 0.056 20 0 FCADHL CCCc1cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[nH]n1 ZINC001590657054 1283707522 /nfs/dbraw/zinc/70/75/22/1283707522.db2.gz DGLQTJBXFSXTPW-UHFFFAOYSA-N -2 3 362.375 0.056 20 0 FCADHL CCNC(=O)c1cccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001590745686 1283798407 /nfs/dbraw/zinc/79/84/07/1283798407.db2.gz MWLBZSRSCNURMQ-UHFFFAOYSA-N -2 3 373.398 0.812 20 0 FCADHL CCNC(=O)c1cccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001590745686 1283798410 /nfs/dbraw/zinc/79/84/10/1283798410.db2.gz MWLBZSRSCNURMQ-UHFFFAOYSA-N -2 3 373.398 0.812 20 0 FCADHL CCOC1CC(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC001590786363 1283843666 /nfs/dbraw/zinc/84/36/66/1283843666.db2.gz KKMYQLWLQCOWQW-UHFFFAOYSA-N -2 3 365.415 0.795 20 0 FCADHL CCOC1CC(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC001590786363 1283843675 /nfs/dbraw/zinc/84/36/75/1283843675.db2.gz KKMYQLWLQCOWQW-UHFFFAOYSA-N -2 3 365.415 0.795 20 0 FCADHL COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001591230775 1284371728 /nfs/dbraw/zinc/37/17/28/1284371728.db2.gz RFRVTUNKQLFCHU-LURJTMIESA-N -2 3 373.778 0.141 20 0 FCADHL COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001591230775 1284371739 /nfs/dbraw/zinc/37/17/39/1284371739.db2.gz RFRVTUNKQLFCHU-LURJTMIESA-N -2 3 373.778 0.141 20 0 FCADHL COC(=O)[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)[O-])C1 ZINC001591252558 1284408309 /nfs/dbraw/zinc/40/83/09/1284408309.db2.gz LMGSJUIAXWYDKH-JQWIXIFHSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)CCCO[N-]C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001591264099 1284421380 /nfs/dbraw/zinc/42/13/80/1284421380.db2.gz SNYOOVBVQRFXME-UHFFFAOYSA-N -2 3 362.346 0.115 20 0 FCADHL COC(=O)CCCO[N-]C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001591264099 1284421381 /nfs/dbraw/zinc/42/13/81/1284421381.db2.gz SNYOOVBVQRFXME-UHFFFAOYSA-N -2 3 362.346 0.115 20 0 FCADHL COC(=O)c1oc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)cc1C ZINC001591308496 1284459546 /nfs/dbraw/zinc/45/95/46/1284459546.db2.gz GHTOICLREUEERU-UHFFFAOYSA-N -2 3 367.347 0.387 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1)C1CCCCC1 ZINC001591332727 1284474822 /nfs/dbraw/zinc/47/48/22/1284474822.db2.gz BCFKPGMQHQYOQE-GFCCVEGCSA-N -2 3 369.451 0.937 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591390116 1284530817 /nfs/dbraw/zinc/53/08/17/1284530817.db2.gz ATCNYARRXASKKE-UHFFFAOYSA-N -2 3 365.415 0.424 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591390116 1284530824 /nfs/dbraw/zinc/53/08/24/1284530824.db2.gz ATCNYARRXASKKE-UHFFFAOYSA-N -2 3 365.415 0.424 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001591407209 1284549130 /nfs/dbraw/zinc/54/91/30/1284549130.db2.gz HLXZKBDWFFIIHW-VIFPVBQESA-N -2 3 354.392 0.129 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001591407209 1284549137 /nfs/dbraw/zinc/54/91/37/1284549137.db2.gz HLXZKBDWFFIIHW-VIFPVBQESA-N -2 3 354.392 0.129 20 0 FCADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccn2)c1 ZINC001604671298 1287722752 /nfs/dbraw/zinc/72/27/52/1287722752.db2.gz HRMKEKDLVSRLCG-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccn2)c1 ZINC001604671298 1287722761 /nfs/dbraw/zinc/72/27/61/1287722761.db2.gz HRMKEKDLVSRLCG-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CO[N-]C(=O)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001591466484 1284635704 /nfs/dbraw/zinc/63/57/04/1284635704.db2.gz PMIZZXYSYKECNF-UHFFFAOYSA-N -2 3 352.354 0.941 20 0 FCADHL CO[N-]C(=O)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001591466484 1284635716 /nfs/dbraw/zinc/63/57/16/1284635716.db2.gz PMIZZXYSYKECNF-UHFFFAOYSA-N -2 3 352.354 0.941 20 0 FCADHL CO[N-]C(=O)CNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001591466269 1284636258 /nfs/dbraw/zinc/63/62/58/1284636258.db2.gz DUPUJSJLHJRZCS-UHFFFAOYSA-N -2 3 372.341 0.446 20 0 FCADHL CO[N-]C(=O)CNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001591466269 1284636266 /nfs/dbraw/zinc/63/62/66/1284636266.db2.gz DUPUJSJLHJRZCS-UHFFFAOYSA-N -2 3 372.341 0.446 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001591496529 1284672862 /nfs/dbraw/zinc/67/28/62/1284672862.db2.gz CYEVPNAKJZNSBF-GXSJLCMTSA-N -2 3 361.358 0.576 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC001591497438 1284676951 /nfs/dbraw/zinc/67/69/51/1284676951.db2.gz YXLWIDCQQAPZMU-CYBMUJFWSA-N -2 3 365.321 0.135 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC001591497438 1284676962 /nfs/dbraw/zinc/67/69/62/1284676962.db2.gz YXLWIDCQQAPZMU-CYBMUJFWSA-N -2 3 365.321 0.135 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591504110 1284686211 /nfs/dbraw/zinc/68/62/11/1284686211.db2.gz DXVOZLRXXPZHRO-AOOOYVTPSA-N -2 3 367.387 0.359 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591504110 1284686217 /nfs/dbraw/zinc/68/62/17/1284686217.db2.gz DXVOZLRXXPZHRO-AOOOYVTPSA-N -2 3 367.387 0.359 20 0 FCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2OC)nn1C ZINC001591504331 1284687246 /nfs/dbraw/zinc/68/72/46/1284687246.db2.gz MQMLNWBUQVKDFQ-UHFFFAOYSA-N -2 3 365.375 0.418 20 0 FCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2OC)nn1C ZINC001591504331 1284687248 /nfs/dbraw/zinc/68/72/48/1284687248.db2.gz MQMLNWBUQVKDFQ-UHFFFAOYSA-N -2 3 365.375 0.418 20 0 FCADHL COc1cc([N-]S(=O)(=O)C[C@H]2CCCO2)c(F)cc1-c1nn[n-]n1 ZINC001591547380 1284727870 /nfs/dbraw/zinc/72/78/70/1284727870.db2.gz RZIVWIPEAUGUMJ-MRVPVSSYSA-N -2 3 357.367 0.935 20 0 FCADHL COc1ccc(C[N-]S(=O)(=O)c2c(N)noc2C)cc1-c1nnn[n-]1 ZINC001591599923 1284762289 /nfs/dbraw/zinc/76/22/89/1284762289.db2.gz SMPGKXOIUWUBRS-UHFFFAOYSA-N -2 3 365.375 0.232 20 0 FCADHL COc1ccc(C[N-]S(=O)(=O)c2c(N)noc2C)cc1-c1nn[n-]n1 ZINC001591599923 1284762298 /nfs/dbraw/zinc/76/22/98/1284762298.db2.gz SMPGKXOIUWUBRS-UHFFFAOYSA-N -2 3 365.375 0.232 20 0 FCADHL CSCC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)C(=O)[O-] ZINC001591701291 1284843025 /nfs/dbraw/zinc/84/30/25/1284843025.db2.gz LOAOFUUASCAUAU-SNVBAGLBSA-N -2 3 371.444 0.660 20 0 FCADHL CSCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)C(=O)[O-] ZINC001591701291 1284843044 /nfs/dbraw/zinc/84/30/44/1284843044.db2.gz LOAOFUUASCAUAU-SNVBAGLBSA-N -2 3 371.444 0.660 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC001591810377 1284920695 /nfs/dbraw/zinc/92/06/95/1284920695.db2.gz RJMQDHRDCYNLIT-UHFFFAOYSA-N -2 3 361.387 0.168 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC001591810377 1284920698 /nfs/dbraw/zinc/92/06/98/1284920698.db2.gz RJMQDHRDCYNLIT-UHFFFAOYSA-N -2 3 361.387 0.168 20 0 FCADHL Cc1c(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cccc1-c1nnn[n-]1 ZINC001591824227 1284928649 /nfs/dbraw/zinc/92/86/49/1284928649.db2.gz NQZPKRPJFYJITN-KOLCDFICSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cccc1-c1nn[n-]n1 ZINC001591824227 1284928656 /nfs/dbraw/zinc/92/86/56/1284928656.db2.gz NQZPKRPJFYJITN-KOLCDFICSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])cccc1-c1nnn[n-]1 ZINC001591824831 1284931496 /nfs/dbraw/zinc/93/14/96/1284931496.db2.gz ZOFZLBVLTKWCCB-GFCCVEGCSA-N -2 3 360.374 0.729 20 0 FCADHL Cc1c(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])cccc1-c1nn[n-]n1 ZINC001591824831 1284931502 /nfs/dbraw/zinc/93/15/02/1284931502.db2.gz ZOFZLBVLTKWCCB-GFCCVEGCSA-N -2 3 360.374 0.729 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001591871943 1284958956 /nfs/dbraw/zinc/95/89/56/1284958956.db2.gz DEKWWIQEKUXSRB-GFCCVEGCSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001591871943 1284958965 /nfs/dbraw/zinc/95/89/65/1284958965.db2.gz DEKWWIQEKUXSRB-GFCCVEGCSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(NCC=CCNC(=O)c2ncccc2[O-])n1 ZINC001591896616 1284985744 /nfs/dbraw/zinc/98/57/44/1284985744.db2.gz ODPSCWGMAMIJBR-NSCUHMNNSA-N -2 3 367.373 0.464 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(NCC=CCNC(=O)c2ncccc2[O-])n1 ZINC001591896616 1284985756 /nfs/dbraw/zinc/98/57/56/1284985756.db2.gz ODPSCWGMAMIJBR-NSCUHMNNSA-N -2 3 367.373 0.464 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001591989236 1285041864 /nfs/dbraw/zinc/04/18/64/1285041864.db2.gz OSDMPOMSKRRIJD-SNVBAGLBSA-N -2 3 355.351 0.552 20 0 FCADHL Cc1cc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592065118 1285105914 /nfs/dbraw/zinc/10/59/14/1285105914.db2.gz IDCLTJBCRMVHAE-JTQLQIEISA-N -2 3 355.401 0.323 20 0 FCADHL Cc1cc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592065118 1285105920 /nfs/dbraw/zinc/10/59/20/1285105920.db2.gz IDCLTJBCRMVHAE-JTQLQIEISA-N -2 3 355.401 0.323 20 0 FCADHL Cc1n[nH]c(C(=O)NCCCNc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001592090012 1285126697 /nfs/dbraw/zinc/12/66/97/1285126697.db2.gz CSDUJFHLFFTYCL-UHFFFAOYSA-N -2 3 357.378 0.539 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CO[C@H](C)C1 ZINC001592109207 1285143349 /nfs/dbraw/zinc/14/33/49/1285143349.db2.gz GFKOCFJBGRYODY-KOLCDFICSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CO[C@H](C)C1 ZINC001592109207 1285143358 /nfs/dbraw/zinc/14/33/58/1285143358.db2.gz GFKOCFJBGRYODY-KOLCDFICSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001592109515 1285143807 /nfs/dbraw/zinc/14/38/07/1285143807.db2.gz PFJDBMCOVVXDGX-NSHDSACASA-N -3 3 365.371 0.091 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001592109515 1285143810 /nfs/dbraw/zinc/14/38/10/1285143810.db2.gz PFJDBMCOVVXDGX-NSHDSACASA-N -3 3 365.371 0.091 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592191298 1285174543 /nfs/dbraw/zinc/17/45/43/1285174543.db2.gz HBQRHCPFQOFDLE-AWEZNQCLSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592191298 1285174551 /nfs/dbraw/zinc/17/45/51/1285174551.db2.gz HBQRHCPFQOFDLE-AWEZNQCLSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cccc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)c1-c1nnn[n-]1 ZINC001592238748 1285194347 /nfs/dbraw/zinc/19/43/47/1285194347.db2.gz HFAOZJVJAFHAJF-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)c1-c1nn[n-]n1 ZINC001592238748 1285194354 /nfs/dbraw/zinc/19/43/54/1285194354.db2.gz HFAOZJVJAFHAJF-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccnc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1-c1nnn[n-]1 ZINC001592272516 1285211715 /nfs/dbraw/zinc/21/17/15/1285211715.db2.gz FNOIXLBGNMKNAO-NSHDSACASA-N -2 3 371.401 0.472 20 0 FCADHL Cc1ccnc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1-c1nn[n-]n1 ZINC001592272516 1285211718 /nfs/dbraw/zinc/21/17/18/1285211718.db2.gz FNOIXLBGNMKNAO-NSHDSACASA-N -2 3 371.401 0.472 20 0 FCADHL Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)s1 ZINC001592355547 1285268950 /nfs/dbraw/zinc/26/89/50/1285268950.db2.gz LIYWXHCTTTVUNV-UHFFFAOYSA-N -2 3 365.400 0.454 20 0 FCADHL Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)s1 ZINC001592355547 1285268960 /nfs/dbraw/zinc/26/89/60/1285268960.db2.gz LIYWXHCTTTVUNV-UHFFFAOYSA-N -2 3 365.400 0.454 20 0 FCADHL CN(CCNC(=O)c1ncccc1[O-])c1cccc(F)c1-c1nnn[n-]1 ZINC001604771931 1287773504 /nfs/dbraw/zinc/77/35/04/1287773504.db2.gz XZQIRYFUTUJJHV-UHFFFAOYSA-N -2 3 357.349 0.973 20 0 FCADHL CN(CCNC(=O)c1ncccc1[O-])c1cccc(F)c1-c1nn[n-]n1 ZINC001604771931 1287773511 /nfs/dbraw/zinc/77/35/11/1287773511.db2.gz XZQIRYFUTUJJHV-UHFFFAOYSA-N -2 3 357.349 0.973 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)cc1-c1nnn[n-]1 ZINC001592411608 1285325751 /nfs/dbraw/zinc/32/57/51/1285325751.db2.gz FMTVCLQHJIVKME-XVKPBYJWSA-N -2 3 370.416 0.107 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)cc1-c1nn[n-]n1 ZINC001592411608 1285325763 /nfs/dbraw/zinc/32/57/63/1285325763.db2.gz FMTVCLQHJIVKME-XVKPBYJWSA-N -2 3 370.416 0.107 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592414082 1285335569 /nfs/dbraw/zinc/33/55/69/1285335569.db2.gz ZNPVOKRNLFHWRY-PRHODGIISA-N -2 3 366.403 0.444 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592414082 1285335580 /nfs/dbraw/zinc/33/55/80/1285335580.db2.gz ZNPVOKRNLFHWRY-PRHODGIISA-N -2 3 366.403 0.444 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2c3c(nn2C)CCC3)cc1-c1nnn[n-]1 ZINC001592415204 1285337426 /nfs/dbraw/zinc/33/74/26/1285337426.db2.gz PJXWQXNNLDBSOH-UHFFFAOYSA-N -2 3 360.403 0.593 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2c3c(nn2C)CCC3)cc1-c1nn[n-]n1 ZINC001592415204 1285337437 /nfs/dbraw/zinc/33/74/37/1285337437.db2.gz PJXWQXNNLDBSOH-UHFFFAOYSA-N -2 3 360.403 0.593 20 0 FCADHL Cn1nc(C(=O)[O-])cc1CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001592593571 1285525926 /nfs/dbraw/zinc/52/59/26/1285525926.db2.gz KSRVXRPTXGGMRA-UHFFFAOYSA-N -2 3 369.389 0.016 20 0 FCADHL Cn1nc(C(=O)[O-])cc1CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001592593571 1285525929 /nfs/dbraw/zinc/52/59/29/1285525929.db2.gz KSRVXRPTXGGMRA-UHFFFAOYSA-N -2 3 369.389 0.016 20 0 FCADHL Nc1c(-c2nnn[n-]2)cnn1C([O-])=C[S@@](=O)c1ccc(Cl)cc1 ZINC001592753105 1285676523 /nfs/dbraw/zinc/67/65/23/1285676523.db2.gz KHNWMNYIUPNQGN-HSZRJFAPSA-N -2 3 351.779 0.747 20 0 FCADHL Nc1c(-c2nn[n-]n2)cnn1C([O-])=C[S@@](=O)c1ccc(Cl)cc1 ZINC001592753105 1285676529 /nfs/dbraw/zinc/67/65/29/1285676529.db2.gz KHNWMNYIUPNQGN-HSZRJFAPSA-N -2 3 351.779 0.747 20 0 FCADHL O=C(C=C1CCSCC1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592790577 1285715257 /nfs/dbraw/zinc/71/52/57/1285715257.db2.gz SVDYLOPLUJIBKL-UHFFFAOYSA-N -2 3 366.428 0.520 20 0 FCADHL O=C(C=C1CCSCC1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592790577 1285715259 /nfs/dbraw/zinc/71/52/59/1285715259.db2.gz SVDYLOPLUJIBKL-UHFFFAOYSA-N -2 3 366.428 0.520 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001592823292 1285739217 /nfs/dbraw/zinc/73/92/17/1285739217.db2.gz HUSWPACNEJDXSG-LLVKDONJSA-N -2 3 369.378 0.521 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001592823292 1285739222 /nfs/dbraw/zinc/73/92/22/1285739222.db2.gz HUSWPACNEJDXSG-LLVKDONJSA-N -2 3 369.378 0.521 20 0 FCADHL O=C(CC[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001592831324 1285745243 /nfs/dbraw/zinc/74/52/43/1285745243.db2.gz PKMKZVBNTBQRDZ-ZDUSSCGKSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(CC[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001592831324 1285745250 /nfs/dbraw/zinc/74/52/50/1285745250.db2.gz PKMKZVBNTBQRDZ-ZDUSSCGKSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(COC1CC1)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001592885667 1285792399 /nfs/dbraw/zinc/79/23/99/1285792399.db2.gz IJJZUVJCMKYHKA-UHFFFAOYSA-N -2 3 355.351 0.131 20 0 FCADHL O=C(COC1CC1)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001592885667 1285792402 /nfs/dbraw/zinc/79/24/02/1285792402.db2.gz IJJZUVJCMKYHKA-UHFFFAOYSA-N -2 3 355.351 0.131 20 0 FCADHL O=C(COCC(F)F)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001592887353 1285794199 /nfs/dbraw/zinc/79/41/99/1285794199.db2.gz OEKPECYFBNOUHY-UHFFFAOYSA-N -2 3 361.330 0.094 20 0 FCADHL O=C(COCC(F)F)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001592887353 1285794207 /nfs/dbraw/zinc/79/42/07/1285794207.db2.gz OEKPECYFBNOUHY-UHFFFAOYSA-N -2 3 361.330 0.094 20 0 FCADHL O=C(NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001592959671 1285844562 /nfs/dbraw/zinc/84/45/62/1285844562.db2.gz JPYNXAXAFGCZJE-UHFFFAOYSA-N -2 3 354.330 0.272 20 0 FCADHL O=C(NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001592959671 1285844568 /nfs/dbraw/zinc/84/45/68/1285844568.db2.gz JPYNXAXAFGCZJE-UHFFFAOYSA-N -2 3 354.330 0.272 20 0 FCADHL CN1C(=O)CN([N-]C(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)C1=O ZINC001609282591 1289044689 /nfs/dbraw/zinc/04/46/89/1289044689.db2.gz HWSOIVOWJMXVLP-UHFFFAOYSA-N -2 3 368.313 0.061 20 0 FCADHL CN1C(=O)CN([N-]C(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)C1=O ZINC001609282591 1289044690 /nfs/dbraw/zinc/04/46/90/1289044690.db2.gz HWSOIVOWJMXVLP-UHFFFAOYSA-N -2 3 368.313 0.061 20 0 FCADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cccc(-c2nnn[n-]2)n1 ZINC001593153372 1286024309 /nfs/dbraw/zinc/02/43/09/1286024309.db2.gz CMZOBSQNODJNMK-UHFFFAOYSA-N -2 3 356.346 0.161 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1conc1C1CC1 ZINC001593172725 1286026482 /nfs/dbraw/zinc/02/64/82/1286026482.db2.gz OBLNROIFVVZLRI-UHFFFAOYSA-N -2 3 374.382 0.992 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1conc1C1CC1 ZINC001593172725 1286026489 /nfs/dbraw/zinc/02/64/89/1286026489.db2.gz OBLNROIFVVZLRI-UHFFFAOYSA-N -2 3 374.382 0.992 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cn(C2CC2)nn1 ZINC001593172692 1286026592 /nfs/dbraw/zinc/02/65/92/1286026592.db2.gz MMIPOCRPZZVUIO-UHFFFAOYSA-N -2 3 374.386 0.053 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cn(C2CC2)nn1 ZINC001593172692 1286026597 /nfs/dbraw/zinc/02/65/97/1286026597.db2.gz MMIPOCRPZZVUIO-UHFFFAOYSA-N -2 3 374.386 0.053 20 0 FCADHL O=C(Nn1cc(Br)cn1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593271441 1286055537 /nfs/dbraw/zinc/05/55/37/1286055537.db2.gz CANJQQCYTNVSMR-UHFFFAOYSA-N -2 3 350.136 0.915 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 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O=C([O-])C[C@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001593278220 1286060267 /nfs/dbraw/zinc/06/02/67/1286060267.db2.gz VQIHUYJSZTXCQF-GFCCVEGCSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])C[C@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001593278220 1286060271 /nfs/dbraw/zinc/06/02/71/1286060271.db2.gz VQIHUYJSZTXCQF-GFCCVEGCSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])CCCCCCNS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001593277685 1286060610 /nfs/dbraw/zinc/06/06/10/1286060610.db2.gz FBHTVYJJGQGDNE-UHFFFAOYSA-N -2 3 354.392 0.575 20 0 FCADHL O=C([O-])CCCCCCNS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001593277685 1286060613 /nfs/dbraw/zinc/06/06/13/1286060613.db2.gz FBHTVYJJGQGDNE-UHFFFAOYSA-N -2 3 354.392 0.575 20 0 FCADHL O=C([O-])[C@@H]1CCCN(C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)C1 ZINC001593279264 1286062165 /nfs/dbraw/zinc/06/21/65/1286062165.db2.gz BERYMFKURZXRBH-OCCSQVGLSA-N -2 3 356.386 0.840 20 0 FCADHL O=C([O-])[C@@H]1CCCN(C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)C1 ZINC001593279264 1286062166 /nfs/dbraw/zinc/06/21/66/1286062166.db2.gz BERYMFKURZXRBH-OCCSQVGLSA-N -2 3 356.386 0.840 20 0 FCADHL O=C([O-])c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)nc1 ZINC001593284019 1286064318 /nfs/dbraw/zinc/06/43/18/1286064318.db2.gz VIIWRQSSYPETRA-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)nc1 ZINC001593284019 1286064320 /nfs/dbraw/zinc/06/43/20/1286064320.db2.gz VIIWRQSSYPETRA-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])c1ccccc1CCNS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001593283160 1286064903 /nfs/dbraw/zinc/06/49/03/1286064903.db2.gz MVOZZYIOBHVBMY-UHFFFAOYSA-N -2 3 374.382 0.481 20 0 FCADHL O=C([O-])c1ccccc1CCNS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001593283160 1286064905 /nfs/dbraw/zinc/06/49/05/1286064905.db2.gz MVOZZYIOBHVBMY-UHFFFAOYSA-N -2 3 374.382 0.481 20 0 FCADHL O=C(OCc1n[nH]c(=O)[n-]1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001593306703 1286068520 /nfs/dbraw/zinc/06/85/20/1286068520.db2.gz DVSKGWLKTSKAGY-SECBINFHSA-N -2 3 374.336 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COC(=O)c1cccc(S(=O)(=O)[N-]c2ncccc2-c2nnn[n-]2)c1 ZINC001609306200 1289079669 /nfs/dbraw/zinc/07/96/69/1289079669.db2.gz YGMBBCCBFQXMCO-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)c1 ZINC001609306200 1289079676 /nfs/dbraw/zinc/07/96/76/1289079676.db2.gz YGMBBCCBFQXMCO-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](O)COc2ccccc2)c1C(=O)[O-] ZINC001600672696 1286524054 /nfs/dbraw/zinc/52/40/54/1286524054.db2.gz HLGHEXFKJNLDOV-SNVBAGLBSA-N -2 3 355.372 0.135 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2ccc([S@](C)=O)cc2)c1C(=O)[O-] ZINC001600673738 1286525456 /nfs/dbraw/zinc/52/54/56/1286525456.db2.gz MRNQREKYCMUUHS-QFIPXVFZSA-N -2 3 357.413 0.632 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(=O)N(C)C2CCCCC2)c1C(=O)[O-] ZINC001600673687 1286525470 /nfs/dbraw/zinc/52/54/70/1286525470.db2.gz UCSMOTJIYPVAOB-UHFFFAOYSA-N -2 3 358.420 0.486 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCO3)c1C(=O)[O-] ZINC001600674090 1286526246 /nfs/dbraw/zinc/52/62/46/1286526246.db2.gz OOQHVDUFQPNJHD-UHFFFAOYSA-N -2 3 353.356 0.666 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2CCN(CC(F)(F)F)CC2)c1C(=O)[O-] ZINC001600674267 1286526571 /nfs/dbraw/zinc/52/65/71/1286526571.db2.gz XSFUINBSHMIGOH-UHFFFAOYSA-N -2 3 370.353 0.721 20 0 FCADHL Cc1noc([C@H]2OCC[C@H]2[N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC001600816856 1286551928 /nfs/dbraw/zinc/55/19/28/1286551928.db2.gz BLTBPYSISOOQHI-MUWHJKNJSA-N -2 3 360.373 0.341 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@H](C2CC2)[C@]2(CO)CCCO2)cc1C(=O)[O-] ZINC001600855703 1286557964 /nfs/dbraw/zinc/55/79/64/1286557964.db2.gz VTLFGZGAOOOATR-UKRRQHHQSA-N -2 3 359.400 0.885 20 0 FCADHL Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])C2)cn1 ZINC001600959212 1286580278 /nfs/dbraw/zinc/58/02/78/1286580278.db2.gz UIENVMJKAPHJAC-SECBINFHSA-N -2 3 371.444 0.522 20 0 FCADHL Cn1ncc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c1Br ZINC001601028748 1286608150 /nfs/dbraw/zinc/60/81/50/1286608150.db2.gz IXDFWIMXHMMYBT-MRVPVSSYSA-N -2 3 366.237 0.962 20 0 FCADHL NC(=O)CO[N-]C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001601151755 1286658524 /nfs/dbraw/zinc/65/85/24/1286658524.db2.gz MIGQMZJPWNKTKS-UHFFFAOYSA-N -2 3 350.100 0.825 20 0 FCADHL O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCCNC(=O)c1ccc([O-])cc1 ZINC001601284635 1286713440 /nfs/dbraw/zinc/71/34/40/1286713440.db2.gz LHSVBAMATGYXSQ-GXTWGEPZSA-N -2 3 350.371 0.508 20 0 FCADHL O=C([O-])c1cccn(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1=O ZINC001601387338 1286738288 /nfs/dbraw/zinc/73/82/88/1286738288.db2.gz BBTWMMUYAVKIDZ-UHFFFAOYSA-N -2 3 358.289 0.504 20 0 FCADHL O=C([O-])c1cccn(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1=O ZINC001601387338 1286738295 /nfs/dbraw/zinc/73/82/95/1286738295.db2.gz BBTWMMUYAVKIDZ-UHFFFAOYSA-N -2 3 358.289 0.504 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCNC(=O)OCc1ccccc1 ZINC001601504239 1286771724 /nfs/dbraw/zinc/77/17/24/1286771724.db2.gz SJWKGPDCULWFQD-UHFFFAOYSA-N -2 3 368.371 0.313 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)C1(CCF)CC1 ZINC001609338878 1289108715 /nfs/dbraw/zinc/10/87/15/1289108715.db2.gz VSXUXSPWDKQLKF-UHFFFAOYSA-N -2 3 369.378 0.820 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)C1(CCF)CC1 ZINC001609338878 1289108716 /nfs/dbraw/zinc/10/87/16/1289108716.db2.gz VSXUXSPWDKQLKF-UHFFFAOYSA-N -2 3 369.378 0.820 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)CCCSC ZINC001609338535 1289108811 /nfs/dbraw/zinc/10/88/11/1289108811.db2.gz GRBIULVLWFUKPM-UHFFFAOYSA-N -2 3 371.444 0.823 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)CCCSC ZINC001609338535 1289108815 /nfs/dbraw/zinc/10/88/15/1289108815.db2.gz GRBIULVLWFUKPM-UHFFFAOYSA-N -2 3 371.444 0.823 20 0 FCADHL O=C([O-])CCN1CC[C@@H](N2CCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC001602010289 1286894533 /nfs/dbraw/zinc/89/45/33/1286894533.db2.gz VCLGENOPACIGOV-CQSZACIVSA-N -2 3 361.398 0.226 20 0 FCADHL COc1cc(CNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001609343356 1289111330 /nfs/dbraw/zinc/11/13/30/1289111330.db2.gz PAIRSBVEGHOOEO-WDEREUQCSA-N -2 3 360.374 0.928 20 0 FCADHL COc1cc(CNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001609343356 1289111333 /nfs/dbraw/zinc/11/13/33/1289111333.db2.gz PAIRSBVEGHOOEO-WDEREUQCSA-N -2 3 360.374 0.928 20 0 FCADHL O=C([O-])CNC(=O)c1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001602073872 1286927938 /nfs/dbraw/zinc/92/79/38/1286927938.db2.gz IIWUBRQCCYRXHO-LLVKDONJSA-N -2 3 361.358 0.135 20 0 FCADHL O=C([O-])COCC(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001602078337 1286929862 /nfs/dbraw/zinc/92/98/62/1286929862.db2.gz ZTZZGYOWNXAVCY-UHFFFAOYSA-N -2 3 373.774 0.936 20 0 FCADHL O=C([O-])COCC(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001602078337 1286929872 /nfs/dbraw/zinc/92/98/72/1286929872.db2.gz ZTZZGYOWNXAVCY-UHFFFAOYSA-N -2 3 373.774 0.936 20 0 FCADHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC001602118897 1286940717 /nfs/dbraw/zinc/94/07/17/1286940717.db2.gz QKBOSLZAVRELBF-UHFFFAOYSA-N -3 3 370.408 0.989 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001609351154 1289114388 /nfs/dbraw/zinc/11/43/88/1289114388.db2.gz DTZKBUHOXJPXMN-UHFFFAOYSA-N -3 3 364.343 0.702 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)O1 ZINC001602176104 1286958443 /nfs/dbraw/zinc/95/84/43/1286958443.db2.gz QRIAOLSGMVLOOH-AEJSXWLSSA-N -2 3 352.309 0.536 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@@H]3CO2)oc1Cl ZINC001602296107 1286986762 /nfs/dbraw/zinc/98/67/62/1286986762.db2.gz LYMRBZNPZFRUEE-RKDXNWHRSA-N -2 3 364.807 0.773 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)c3ccccc32)o1 ZINC001602398078 1286996404 /nfs/dbraw/zinc/99/64/04/1286996404.db2.gz DNRMKPDXHNYYBA-SECBINFHSA-N -2 3 371.392 0.827 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCc1cccc(C(=O)[O-])n1 ZINC001602436773 1287001562 /nfs/dbraw/zinc/00/15/62/1287001562.db2.gz LFBYNIBFVOEYJC-UHFFFAOYSA-N -3 3 357.369 0.456 20 0 FCADHL O=C([O-])c1ccnc(S(=O)(=O)[N-]C[C@H](n2cncn2)C(F)(F)F)c1 ZINC001602484504 1287009463 /nfs/dbraw/zinc/00/94/63/1287009463.db2.gz MUPDJTCPDDIOMO-QMMMGPOBSA-N -2 3 365.293 0.453 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001602488061 1287010233 /nfs/dbraw/zinc/01/02/33/1287010233.db2.gz BNSYUMBIUAEMRH-SSDOTTSWSA-N -2 3 356.278 0.419 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001602488809 1287011140 /nfs/dbraw/zinc/01/11/40/1287011140.db2.gz UQPVXCGIWPINRG-PWSUYJOCSA-N -2 3 354.340 0.887 20 0 FCADHL O=C([O-])c1cn(C2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)nn1 ZINC001602497253 1287015341 /nfs/dbraw/zinc/01/53/41/1287015341.db2.gz PZCXUULZSLQNQV-UHFFFAOYSA-N -2 3 360.326 0.888 20 0 FCADHL O=C([O-])c1cn(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])nn1 ZINC001602503616 1287015573 /nfs/dbraw/zinc/01/55/73/1287015573.db2.gz NQMUDHFPWMHBTM-CYBMUJFWSA-N -2 3 373.369 0.103 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ncc(Br)cn1 ZINC001602507009 1287019297 /nfs/dbraw/zinc/01/92/97/1287019297.db2.gz XPIVPQYPSBMJQH-UHFFFAOYSA-N -2 3 362.165 0.139 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1cccnc1N1CCCC1 ZINC001602506734 1287019323 /nfs/dbraw/zinc/01/93/23/1287019323.db2.gz OBTWFEPEWWDSMP-UHFFFAOYSA-N -2 3 351.388 0.582 20 0 FCADHL O=C([O-])c1cnc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc[n-]c2=O)C3)nc1 ZINC001602528540 1287022179 /nfs/dbraw/zinc/02/21/79/1287022179.db2.gz STMWUSFEWQXAOX-JLLWLGSASA-N -2 3 356.342 0.210 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H](O)Cc1ccccc1F ZINC001602583149 1287031246 /nfs/dbraw/zinc/03/12/46/1287031246.db2.gz QOARKALEGBYWTR-SECBINFHSA-N -2 3 360.388 0.862 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCOCC1 ZINC001602582694 1287031440 /nfs/dbraw/zinc/03/14/40/1287031440.db2.gz HWMBMOFHEBSSPW-JTQLQIEISA-N -2 3 364.445 0.545 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1nnc2n1CCCCC2 ZINC001602584874 1287032229 /nfs/dbraw/zinc/03/22/29/1287032229.db2.gz JKUNESVXNOSYQA-UHFFFAOYSA-N -2 3 357.417 0.638 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1ccc(-n2cncn2)cc1 ZINC001602589314 1287033214 /nfs/dbraw/zinc/03/32/14/1287033214.db2.gz YVMJHSPEMDIQND-UHFFFAOYSA-N -2 3 365.396 0.901 20 0 FCADHL O=C([O-])C(F)=C(Nc1ccc2c(c1)OCO2)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602656690 1287052614 /nfs/dbraw/zinc/05/26/14/1287052614.db2.gz RUNIGBYLQQNPNR-VIFPVBQESA-N -3 3 367.314 0.035 20 0 FCADHL CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001602929966 1287162487 /nfs/dbraw/zinc/16/24/87/1287162487.db2.gz BIYDZWFYYRCKLI-SECBINFHSA-N -2 3 372.357 0.044 20 0 FCADHL CC(=O)Nc1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001603074469 1287203035 /nfs/dbraw/zinc/20/30/35/1287203035.db2.gz MOXMADFOVBTPRI-UHFFFAOYSA-N -2 3 370.383 0.112 20 0 FCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1 ZINC001603074726 1287203291 /nfs/dbraw/zinc/20/32/91/1287203291.db2.gz SLAPOUNXJFRFDB-LLVKDONJSA-N -2 3 370.383 0.065 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cccc1-c1nnn[n-]1 ZINC001609384385 1289132389 /nfs/dbraw/zinc/13/23/89/1289132389.db2.gz LILDEXUMJCZQAM-CABZTGNLSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cccc1-c1nn[n-]n1 ZINC001609384385 1289132407 /nfs/dbraw/zinc/13/24/07/1289132407.db2.gz LILDEXUMJCZQAM-CABZTGNLSA-N -2 3 372.385 0.683 20 0 FCADHL COC(=O)c1[n-]n(-c2ccc(-c3nnn[n-]3)cc2)c(=O)c1CCOC(C)=O ZINC001604962450 1287821473 /nfs/dbraw/zinc/82/14/73/1287821473.db2.gz QSVQBQQZRFATAK-UHFFFAOYSA-N -2 3 372.341 0.238 20 0 FCADHL COC(=O)c1[n-]n(-c2ccc(-c3nn[n-]n3)cc2)c(=O)c1CCOC(C)=O ZINC001604962450 1287821478 /nfs/dbraw/zinc/82/14/78/1287821478.db2.gz QSVQBQQZRFATAK-UHFFFAOYSA-N -2 3 372.341 0.238 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1nc2n(c1-c1nn[n-]n1)CCS2)C1CC1 ZINC001605013480 1287837040 /nfs/dbraw/zinc/83/70/40/1287837040.db2.gz YMYNVDXBRNSEMB-QMMMGPOBSA-N -2 3 371.448 0.336 20 0 FCADHL CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001605030884 1287840862 /nfs/dbraw/zinc/84/08/62/1287840862.db2.gz QEVNUNWZOYMXHY-RYUDHWBXSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001605030884 1287840867 /nfs/dbraw/zinc/84/08/67/1287840867.db2.gz QEVNUNWZOYMXHY-RYUDHWBXSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@](C)(C(=O)[O-])C1 ZINC001605035632 1287844393 /nfs/dbraw/zinc/84/43/93/1287844393.db2.gz AQDJOSLSPBFODS-YGRLFVJLSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@](C)(C(=O)[O-])C1 ZINC001605035632 1287844397 /nfs/dbraw/zinc/84/43/97/1287844397.db2.gz AQDJOSLSPBFODS-YGRLFVJLSA-N -2 3 367.387 0.119 20 0 FCADHL COCCCCS(=O)(=O)[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001605087853 1287875526 /nfs/dbraw/zinc/87/55/26/1287875526.db2.gz QDFUVPGHEVGOOD-UHFFFAOYSA-N -2 3 369.403 0.118 20 0 FCADHL COCCCCS(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001605087853 1287875529 /nfs/dbraw/zinc/87/55/29/1287875529.db2.gz QDFUVPGHEVGOOD-UHFFFAOYSA-N -2 3 369.403 0.118 20 0 FCADHL COCCO[N-]C(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001605113295 1287888078 /nfs/dbraw/zinc/88/80/78/1287888078.db2.gz NGZADHKWXBVGMM-UHFFFAOYSA-N -2 3 364.362 0.287 20 0 FCADHL COCCO[N-]C(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001605113295 1287888084 /nfs/dbraw/zinc/88/80/84/1287888084.db2.gz NGZADHKWXBVGMM-UHFFFAOYSA-N -2 3 364.362 0.287 20 0 FCADHL COCCS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001605120502 1287889366 /nfs/dbraw/zinc/88/93/66/1287889366.db2.gz BFANHYTVQHFSIQ-SNVBAGLBSA-N -2 3 353.404 0.138 20 0 FCADHL COCCS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605120502 1287889372 /nfs/dbraw/zinc/88/93/72/1287889372.db2.gz BFANHYTVQHFSIQ-SNVBAGLBSA-N -2 3 353.404 0.138 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)ccn1 ZINC001605196960 1287909502 /nfs/dbraw/zinc/90/95/02/1287909502.db2.gz ZKHMTXVUISPENT-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC001605196960 1287909509 /nfs/dbraw/zinc/90/95/09/1287909509.db2.gz ZKHMTXVUISPENT-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)cn1 ZINC001605305842 1287924632 /nfs/dbraw/zinc/92/46/32/1287924632.db2.gz XYXIJKPWTCBLJC-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)cn1 ZINC001605305842 1287924638 /nfs/dbraw/zinc/92/46/38/1287924638.db2.gz XYXIJKPWTCBLJC-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC001609416572 1289143140 /nfs/dbraw/zinc/14/31/40/1289143140.db2.gz WHMIDBXOMCNGHI-UHFFFAOYSA-N -2 3 361.387 0.413 20 0 FCADHL CSc1n[nH]c([N-]S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)n1 ZINC001605392723 1287948782 /nfs/dbraw/zinc/94/87/82/1287948782.db2.gz NTTRCWIIGVXDNV-UHFFFAOYSA-N -2 3 353.393 0.211 20 0 FCADHL CSc1n[nH]c([N-]S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)n1 ZINC001605392723 1287948787 /nfs/dbraw/zinc/94/87/87/1287948787.db2.gz NTTRCWIIGVXDNV-UHFFFAOYSA-N -2 3 353.393 0.211 20 0 FCADHL Cc1c(Br)c(C)n([N-]C(=O)C2(F)CC2)c(=O)c1-c1nn[n-]n1 ZINC001605468924 1287975536 /nfs/dbraw/zinc/97/55/36/1287975536.db2.gz QYEYISPRZBYSCT-UHFFFAOYSA-N -2 3 371.170 0.980 20 0 FCADHL CCNC(=O)c1cccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1 ZINC001605497551 1287982505 /nfs/dbraw/zinc/98/25/05/1287982505.db2.gz SFWYOGNCHSOTRR-UHFFFAOYSA-N -2 3 353.356 0.601 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)ncc1-c1nnn[n-]1 ZINC001605621261 1288040031 /nfs/dbraw/zinc/04/00/31/1288040031.db2.gz BHDPPNLXPJNTAP-NRUUGDAUSA-N -2 3 362.415 0.818 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)ncc1-c1nn[n-]n1 ZINC001605621261 1288040032 /nfs/dbraw/zinc/04/00/32/1288040032.db2.gz BHDPPNLXPJNTAP-NRUUGDAUSA-N -2 3 362.415 0.818 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC001605679045 1288049334 /nfs/dbraw/zinc/04/93/34/1288049334.db2.gz NLHXIQUZMBMFMG-VIFPVBQESA-N -2 3 369.378 0.800 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC001605679125 1288050058 /nfs/dbraw/zinc/05/00/58/1288050058.db2.gz REIMWHLXJYPMME-CPCISQLKSA-N -2 3 369.378 0.798 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001605795804 1288087816 /nfs/dbraw/zinc/08/78/16/1288087816.db2.gz LMSIIAIMEQZIIA-JOYOIKCWSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001605795804 1288087824 /nfs/dbraw/zinc/08/78/24/1288087824.db2.gz LMSIIAIMEQZIIA-JOYOIKCWSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001605895399 1288100570 /nfs/dbraw/zinc/10/05/70/1288100570.db2.gz HQAVECYHNWNORS-LDYMZIIASA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001605895399 1288100573 /nfs/dbraw/zinc/10/05/73/1288100573.db2.gz HQAVECYHNWNORS-LDYMZIIASA-N -2 3 351.388 0.659 20 0 FCADHL CN(C)Cc1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001606036747 1288140747 /nfs/dbraw/zinc/14/07/47/1288140747.db2.gz YXLCZOZEWGMLCB-UHFFFAOYSA-N -2 3 369.443 0.519 20 0 FCADHL CN(Cc1nnc[nH]1)C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC001606178523 1288202052 /nfs/dbraw/zinc/20/20/52/1288202052.db2.gz JCSDHGVAJGXUDB-UHFFFAOYSA-N -2 3 356.342 0.183 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)CCCC2CCOCC2)n1 ZINC001606222773 1288215630 /nfs/dbraw/zinc/21/56/30/1288215630.db2.gz RCFCGCMJQSZITH-UHFFFAOYSA-N -2 3 355.424 0.549 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(C(=O)[O-])co2)ccc1F ZINC001606303698 1288259671 /nfs/dbraw/zinc/25/96/71/1288259671.db2.gz SFCYWBBOOBCJFB-UHFFFAOYSA-N -2 3 357.319 0.350 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)CCC(C(=O)[O-])CC1 ZINC001606354158 1288270491 /nfs/dbraw/zinc/27/04/91/1288270491.db2.gz LHHQPRCNTOIXPG-VTWZXRTESA-N -2 3 363.432 0.660 20 0 FCADHL COC(=O)[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3scnc3C(=O)[O-])[C@@H]2C1 ZINC001606429175 1288309996 /nfs/dbraw/zinc/30/99/96/1288309996.db2.gz MUUKYHQYOAQDIM-XAVMHZPKSA-N -2 3 360.413 0.707 20 0 FCADHL COC(=O)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606505117 1288348978 /nfs/dbraw/zinc/34/89/78/1288348978.db2.gz DSHYLEZQMGPQKK-GFCCVEGCSA-N -2 3 359.375 0.837 20 0 FCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1cccc(-c2nnn[n-]2)c1Br ZINC001606844980 1288538666 /nfs/dbraw/zinc/53/86/66/1288538666.db2.gz QRVXOMGLMMHIJZ-UHFFFAOYSA-N -2 3 365.151 0.383 20 0 FCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1cccc(-c2nn[n-]n2)c1Br ZINC001606844980 1288538669 /nfs/dbraw/zinc/53/86/69/1288538669.db2.gz QRVXOMGLMMHIJZ-UHFFFAOYSA-N -2 3 365.151 0.383 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606862560 1288542079 /nfs/dbraw/zinc/54/20/79/1288542079.db2.gz CLYZVQDKGXHJSI-MRVPVSSYSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606862560 1288542083 /nfs/dbraw/zinc/54/20/83/1288542083.db2.gz CLYZVQDKGXHJSI-MRVPVSSYSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606862775 1288542373 /nfs/dbraw/zinc/54/23/73/1288542373.db2.gz JWPBCPFPYOLDPK-UHFFFAOYSA-N -2 3 366.765 0.685 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606862775 1288542376 /nfs/dbraw/zinc/54/23/76/1288542376.db2.gz JWPBCPFPYOLDPK-UHFFFAOYSA-N -2 3 366.765 0.685 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606863708 1288542437 /nfs/dbraw/zinc/54/24/37/1288542437.db2.gz MVBDJYLIPXEANL-SECBINFHSA-N -2 3 371.806 0.759 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606863708 1288542441 /nfs/dbraw/zinc/54/24/41/1288542441.db2.gz MVBDJYLIPXEANL-SECBINFHSA-N -2 3 371.806 0.759 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001606862968 1288542454 /nfs/dbraw/zinc/54/24/54/1288542454.db2.gz OCEYZABTEBBSLE-AWEZNQCLSA-N -2 3 372.385 0.197 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001606862968 1288542456 /nfs/dbraw/zinc/54/24/56/1288542456.db2.gz OCEYZABTEBBSLE-AWEZNQCLSA-N -2 3 372.385 0.197 20 0 FCADHL O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001606909221 1288559258 /nfs/dbraw/zinc/55/92/58/1288559258.db2.gz VTZVMJPWLWHGFC-ZETCQYMHSA-N -2 3 364.749 0.392 20 0 FCADHL O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001606909221 1288559262 /nfs/dbraw/zinc/55/92/62/1288559262.db2.gz VTZVMJPWLWHGFC-ZETCQYMHSA-N -2 3 364.749 0.392 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606957453 1288574584 /nfs/dbraw/zinc/57/45/84/1288574584.db2.gz DYGDVTIPINHTQM-CHWSQXEVSA-N -2 3 365.415 0.787 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001606959731 1288575585 /nfs/dbraw/zinc/57/55/85/1288575585.db2.gz MKQBSIOGGDIFJK-UHFFFAOYSA-N -2 3 351.388 0.933 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001606959731 1288575589 /nfs/dbraw/zinc/57/55/89/1288575589.db2.gz MKQBSIOGGDIFJK-UHFFFAOYSA-N -2 3 351.388 0.933 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001606959160 1288575617 /nfs/dbraw/zinc/57/56/17/1288575617.db2.gz IPGZTYWLDWTPGL-UHFFFAOYSA-N -2 3 367.387 0.026 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001606959160 1288575619 /nfs/dbraw/zinc/57/56/19/1288575619.db2.gz IPGZTYWLDWTPGL-UHFFFAOYSA-N -2 3 367.387 0.026 20 0 FCADHL O=C([O-])C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606961598 1288576572 /nfs/dbraw/zinc/57/65/72/1288576572.db2.gz WCAWKUOYPABIHW-NSHDSACASA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606961598 1288576574 /nfs/dbraw/zinc/57/65/74/1288576574.db2.gz WCAWKUOYPABIHW-NSHDSACASA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC12CCCC2 ZINC001606961052 1288576576 /nfs/dbraw/zinc/57/65/76/1288576576.db2.gz PBXJKXBXGRUKTL-LBPRGKRZSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC12CCCC2 ZINC001606961052 1288576578 /nfs/dbraw/zinc/57/65/78/1288576578.db2.gz PBXJKXBXGRUKTL-LBPRGKRZSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCC1 ZINC001606961186 1288576672 /nfs/dbraw/zinc/57/66/72/1288576672.db2.gz YDKIFJHZSCVTPE-UHFFFAOYSA-N -2 3 369.378 0.680 20 0 FCADHL O=C([O-])[C@H]1CSCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001606962104 1288577565 /nfs/dbraw/zinc/57/75/65/1288577565.db2.gz DSUGNMMOOHFVMD-SECBINFHSA-N -2 3 359.364 0.154 20 0 FCADHL O=C([O-])[C@H]1CSCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001606962104 1288577568 /nfs/dbraw/zinc/57/75/68/1288577568.db2.gz DSUGNMMOOHFVMD-SECBINFHSA-N -2 3 359.364 0.154 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001606962070 1288577600 /nfs/dbraw/zinc/57/76/00/1288577600.db2.gz BSHQPBHJOYIGNW-UHFFFAOYSA-N -2 3 360.355 0.438 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001606962070 1288577603 /nfs/dbraw/zinc/57/76/03/1288577603.db2.gz BSHQPBHJOYIGNW-UHFFFAOYSA-N -2 3 360.355 0.438 20 0 FCADHL O=C(c1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001607003025 1288586483 /nfs/dbraw/zinc/58/64/83/1288586483.db2.gz GNABRTDNEZMJSO-SECBINFHSA-N -2 3 358.337 0.849 20 0 FCADHL O=C(c1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001607003025 1288586484 /nfs/dbraw/zinc/58/64/84/1288586484.db2.gz GNABRTDNEZMJSO-SECBINFHSA-N -2 3 358.337 0.849 20 0 FCADHL O=C(c1n[nH]c(=O)[n-]1)N1CCC(Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001607033408 1288602793 /nfs/dbraw/zinc/60/27/93/1288602793.db2.gz PLRJUFFFWQAWLN-UHFFFAOYSA-N -2 3 355.362 0.407 20 0 FCADHL O=C(c1n[nH]c(=O)[n-]1)N1CCC(Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001607033408 1288602802 /nfs/dbraw/zinc/60/28/02/1288602802.db2.gz PLRJUFFFWQAWLN-UHFFFAOYSA-N -2 3 355.362 0.407 20 0 FCADHL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ncccc1-c1nnn[n-]1 ZINC001607054616 1288625713 /nfs/dbraw/zinc/62/57/13/1288625713.db2.gz IDUPSIZOSCZOBA-UHFFFAOYSA-N -2 3 358.339 0.733 20 0 FCADHL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ncccc1-c1nn[n-]n1 ZINC001607054616 1288625716 /nfs/dbraw/zinc/62/57/16/1288625716.db2.gz IDUPSIZOSCZOBA-UHFFFAOYSA-N -2 3 358.339 0.733 20 0 FCADHL O=S(=O)([N-][C@H]1CCC[C@H](CO)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001607059795 1288629402 /nfs/dbraw/zinc/62/94/02/1288629402.db2.gz MMFGXIIBRKHKQS-WPRPVWTQSA-N -2 3 373.385 0.974 20 0 FCADHL O=S(=O)(Cc1ccccc1)[N-]c1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001607061438 1288632671 /nfs/dbraw/zinc/63/26/71/1288632671.db2.gz BDYJWMGBBUUHFE-UHFFFAOYSA-N -2 3 361.387 0.535 20 0 FCADHL O=S(=O)([N-][C@H](CCO)C(F)(F)F)c1ccc(F)cc1-c1nn[n-]n1 ZINC001607062536 1288633924 /nfs/dbraw/zinc/63/39/24/1288633924.db2.gz JOOWKXSHQPLVGN-SECBINFHSA-N -2 3 369.300 0.597 20 0 FCADHL O=c1cc(CN2CCO[C@@H](c3ccco3)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607110857 1288667855 /nfs/dbraw/zinc/66/78/55/1288667855.db2.gz LGWQUXAKEPKPMQ-CYBMUJFWSA-N -2 3 368.357 0.782 20 0 FCADHL COc1cc(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc(OC)c1 ZINC001607156089 1288674729 /nfs/dbraw/zinc/67/47/29/1288674729.db2.gz HQJJIDSGDXUSBX-UHFFFAOYSA-N -2 3 355.372 0.646 20 0 FCADHL Cn1cc([C@@H]2C[C@H]([N-]S(=O)(=O)c3occc3C(=O)[O-])CCO2)cn1 ZINC001608108073 1288769773 /nfs/dbraw/zinc/76/97/73/1288769773.db2.gz WBHUCYWIPCUICX-PWSUYJOCSA-N -2 3 355.372 0.910 20 0 FCADHL Cn1cnnc1S(=O)(=O)[N-][C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001608140628 1288779969 /nfs/dbraw/zinc/77/99/69/1288779969.db2.gz WSLUGCAFFWYOAL-LLVKDONJSA-N -2 3 350.356 0.536 20 0 FCADHL Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C2 ZINC001608168391 1288786239 /nfs/dbraw/zinc/78/62/39/1288786239.db2.gz QGNUQLUIRGQXGU-ZETCQYMHSA-N -2 3 372.353 0.627 20 0 FCADHL NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001608263425 1288808555 /nfs/dbraw/zinc/80/85/55/1288808555.db2.gz QJUPLFDGVCBGMA-UHFFFAOYSA-N -2 3 374.371 0.972 20 0 FCADHL O=C([O-])[C@]12CCC[C@H]1N(C(=O)N[C@H]1CCN(c3cc(=O)[n-]cn3)C1)CC2 ZINC001608410810 1288837610 /nfs/dbraw/zinc/83/76/10/1288837610.db2.gz RWZPPVHYIKDKAK-JKDFXYPNSA-N -2 3 361.402 0.800 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCN([C@H]3CCCC[C@@H]3O)CC2)on1 ZINC001608860542 1288877593 /nfs/dbraw/zinc/87/75/93/1288877593.db2.gz PPTKLVHNRLLJES-STQMWFEESA-N -2 3 373.431 0.419 20 0 FCADHL CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609088134 1288912492 /nfs/dbraw/zinc/91/24/92/1288912492.db2.gz LCAPUNYKSDCNPE-SECBINFHSA-N -2 3 361.374 0.688 20 0 FCADHL C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609109549 1288923278 /nfs/dbraw/zinc/92/32/78/1288923278.db2.gz FAQVDDGXQJYNMW-SECBINFHSA-N -2 3 354.392 0.574 20 0 FCADHL C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609109549 1288923275 /nfs/dbraw/zinc/92/32/75/1288923275.db2.gz FAQVDDGXQJYNMW-SECBINFHSA-N -2 3 354.392 0.574 20 0 FCADHL C[C@H](CN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001609112068 1288925700 /nfs/dbraw/zinc/92/57/00/1288925700.db2.gz RHVGYZKYXVRQDD-ZCFIWIBFSA-N -2 3 361.330 0.486 20 0 FCADHL C[C@H](CN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001609112068 1288925703 /nfs/dbraw/zinc/92/57/03/1288925703.db2.gz RHVGYZKYXVRQDD-ZCFIWIBFSA-N -2 3 361.330 0.486 20 0 FCADHL C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609117563 1288930991 /nfs/dbraw/zinc/93/09/91/1288930991.db2.gz SNIZVJGKXXTTHP-BMLIUANNSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609117563 1288930992 /nfs/dbraw/zinc/93/09/92/1288930992.db2.gz SNIZVJGKXXTTHP-BMLIUANNSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609142845 1288944931 /nfs/dbraw/zinc/94/49/31/1288944931.db2.gz OKIKTYKQFJUMJH-SMDDNHRTSA-N -2 3 369.378 0.928 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609142845 1288944934 /nfs/dbraw/zinc/94/49/34/1288944934.db2.gz OKIKTYKQFJUMJH-SMDDNHRTSA-N -2 3 369.378 0.928 20 0 FCADHL C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001609140674 1288945264 /nfs/dbraw/zinc/94/52/64/1288945264.db2.gz RAEBTVZVSJNAKP-VIFPVBQESA-N -2 3 355.358 0.499 20 0 FCADHL C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001609140674 1288945272 /nfs/dbraw/zinc/94/52/72/1288945272.db2.gz RAEBTVZVSJNAKP-VIFPVBQESA-N -2 3 355.358 0.499 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001609142473 1288945583 /nfs/dbraw/zinc/94/55/83/1288945583.db2.gz AIYPTQFYAZTZRM-ZDUSSCGKSA-N -2 3 373.341 0.630 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001609142473 1288945588 /nfs/dbraw/zinc/94/55/88/1288945588.db2.gz AIYPTQFYAZTZRM-ZDUSSCGKSA-N -2 3 373.341 0.630 20 0 FCADHL CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609145504 1288946929 /nfs/dbraw/zinc/94/69/29/1288946929.db2.gz PTUUSORNDHMIKK-LLVKDONJSA-N -2 3 350.404 0.893 20 0 FCADHL CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609145504 1288946932 /nfs/dbraw/zinc/94/69/32/1288946932.db2.gz PTUUSORNDHMIKK-LLVKDONJSA-N -2 3 350.404 0.893 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609199115 1288983021 /nfs/dbraw/zinc/98/30/21/1288983021.db2.gz PJARGEMGAIQSFK-NEPJUHHUSA-N -2 3 351.388 0.741 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609199115 1288983024 /nfs/dbraw/zinc/98/30/24/1288983024.db2.gz PJARGEMGAIQSFK-NEPJUHHUSA-N -2 3 351.388 0.741 20 0 FCADHL CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609220865 1288993979 /nfs/dbraw/zinc/99/39/79/1288993979.db2.gz SETJXXLGTQRLMA-LBPRGKRZSA-N -2 3 353.404 0.987 20 0 FCADHL CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609220865 1288993980 /nfs/dbraw/zinc/99/39/80/1288993980.db2.gz SETJXXLGTQRLMA-LBPRGKRZSA-N -2 3 353.404 0.987 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC001609559869 1289223046 /nfs/dbraw/zinc/22/30/46/1289223046.db2.gz IXBFACFTJWXERC-UHFFFAOYSA-N -2 3 366.765 0.685 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC001609559869 1289223050 /nfs/dbraw/zinc/22/30/50/1289223050.db2.gz IXBFACFTJWXERC-UHFFFAOYSA-N -2 3 366.765 0.685 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)c1coc(C2CC2)n1 ZINC001609560462 1289225152 /nfs/dbraw/zinc/22/51/52/1289225152.db2.gz PFZOLEITTLFSAR-UHFFFAOYSA-N -2 3 361.343 0.246 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)c1coc(C2CC2)n1 ZINC001609560462 1289225157 /nfs/dbraw/zinc/22/51/57/1289225157.db2.gz PFZOLEITTLFSAR-UHFFFAOYSA-N -2 3 361.343 0.246 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cnccc1-c1nnn[n-]1 ZINC001609564248 1289229454 /nfs/dbraw/zinc/22/94/54/1289229454.db2.gz PGGUZXXTLQKDAT-UHFFFAOYSA-N -2 3 350.302 0.195 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cnccc1-c1nn[n-]n1 ZINC001609564248 1289229459 /nfs/dbraw/zinc/22/94/59/1289229459.db2.gz PGGUZXXTLQKDAT-UHFFFAOYSA-N -2 3 350.302 0.195 20 0 FCADHL O=C([O-])c1cccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001609572551 1289234251 /nfs/dbraw/zinc/23/42/51/1289234251.db2.gz CXRQXTVAVWWVKS-UHFFFAOYSA-N -2 3 374.382 0.481 20 0 FCADHL O=C([O-])c1cccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001609572551 1289234260 /nfs/dbraw/zinc/23/42/60/1289234260.db2.gz CXRQXTVAVWWVKS-UHFFFAOYSA-N -2 3 374.382 0.481 20 0 FCADHL O=C([O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609572463 1289235363 /nfs/dbraw/zinc/23/53/63/1289235363.db2.gz YVOLIIYPXDHIOT-ZDUSSCGKSA-N -2 3 372.366 0.466 20 0 FCADHL O=C([O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609572463 1289235368 /nfs/dbraw/zinc/23/53/68/1289235368.db2.gz YVOLIIYPXDHIOT-ZDUSSCGKSA-N -2 3 372.366 0.466 20 0 FCADHL O=S(=O)([N-]c1nnc([C@H]2CCCO2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC001609596598 1289253804 /nfs/dbraw/zinc/25/38/04/1289253804.db2.gz WRFBIMWELLSOLR-SNVBAGLBSA-N -2 3 363.359 0.902 20 0 FCADHL O=S(=O)([N-]c1nnc([C@H]2CCCO2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC001609596598 1289253806 /nfs/dbraw/zinc/25/38/06/1289253806.db2.gz WRFBIMWELLSOLR-SNVBAGLBSA-N -2 3 363.359 0.902 20 0 FCADHL O=c1cc(Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)nc(C2CC2)[n-]1 ZINC001609604044 1289258797 /nfs/dbraw/zinc/25/87/97/1289258797.db2.gz RSGLWUCTTVWJBP-UHFFFAOYSA-N -2 3 351.370 0.938 20 0 FCADHL CC[C@H](CS(=O)(=O)[N-]C1(C(=O)OC)CCC(C(=O)[O-])CC1)OC ZINC001609926771 1289330811 /nfs/dbraw/zinc/33/08/11/1289330811.db2.gz XONDCWVRERHMHU-IQLKVPPVSA-N -2 3 351.421 0.517 20 0 FCADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)(C(=O)[O-])C1(C)C ZINC001610030362 1289352833 /nfs/dbraw/zinc/35/28/33/1289352833.db2.gz JMCJUAQLLIOCNY-OTYXRUKQSA-N -3 3 361.372 0.915 20 0 FCADHL CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001610093882 1289367814 /nfs/dbraw/zinc/36/78/14/1289367814.db2.gz RSCXXHROZFGEQF-DTWKUNHWSA-N -2 3 361.445 0.767 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCSC2)s1 ZINC001610214515 1289429072 /nfs/dbraw/zinc/42/90/72/1289429072.db2.gz WXNAKRVYZLNOLI-NSHDSACASA-N -2 3 351.427 0.773 20 0 FCADHL CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001610240209 1289435744 /nfs/dbraw/zinc/43/57/44/1289435744.db2.gz AVJWVJGXIIITFU-WCBMZHEXSA-N -2 3 365.354 0.993 20 0 FCADHL Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610537278 1289503014 /nfs/dbraw/zinc/50/30/14/1289503014.db2.gz JJYFAHQPRXNRCU-UHFFFAOYSA-N -2 3 356.356 0.978 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](O)CCc2ccccc2)c1C(=O)[O-] ZINC001610549688 1289506435 /nfs/dbraw/zinc/50/64/35/1289506435.db2.gz HNEZIOBIQCJESM-LBPRGKRZSA-N -2 3 353.400 0.688 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCN(CC(F)(F)F)C2)c1C(=O)[O-] ZINC001610549887 1289506880 /nfs/dbraw/zinc/50/68/80/1289506880.db2.gz MUOKNSNEXXTZSI-QMMMGPOBSA-N -2 3 370.353 0.579 20 0 FCADHL Cn1cc(S(=O)(=O)N=c2nc(-c3cccs3)[n-]n2C)cc1C(=O)[O-] ZINC001610607285 1289525912 /nfs/dbraw/zinc/52/59/12/1289525912.db2.gz RPUHQEWUDIGVGV-UHFFFAOYSA-N -2 3 367.412 0.803 20 0 FCADHL NC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C2CC3CC(C2)CC1C3 ZINC001610634587 1289533733 /nfs/dbraw/zinc/53/37/33/1289533733.db2.gz DAPWNHJDXVYMGM-UHFFFAOYSA-N -2 3 368.411 0.936 20 0 FCADHL O=C([O-])C(=O)CCCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001610713213 1289566581 /nfs/dbraw/zinc/56/65/81/1289566581.db2.gz IWJXSGOQFCQUAE-UHFFFAOYSA-N -2 3 373.358 0.857 20 0 FCADHL O=C([O-])[C@@H]1CCCCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001610744247 1289575167 /nfs/dbraw/zinc/57/51/67/1289575167.db2.gz STKKTULUALCQCG-VIFPVBQESA-N -2 3 374.191 0.567 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCc3nnnn3CC2)c1F ZINC001610806863 1289599789 /nfs/dbraw/zinc/59/97/89/1289599789.db2.gz VPVXNXSFUHTTJF-ZETCQYMHSA-N -2 3 373.341 0.333 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CS(=O)(=O)c2ccccc21 ZINC001610872725 1289614686 /nfs/dbraw/zinc/61/46/86/1289614686.db2.gz IXTKZJSQOAHWCP-QMMMGPOBSA-N -2 3 374.421 0.648 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@H]1O ZINC001610873242 1289615895 /nfs/dbraw/zinc/61/58/95/1289615895.db2.gz QYCWUBMEABADMS-QPUJVOFHSA-N -2 3 356.381 0.614 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccc(OC)cc2)o1 ZINC000031488947 835979402 /nfs/dbraw/zinc/97/94/02/835979402.db2.gz GAOPIDZLHNVZJY-UHFFFAOYSA-N -2 3 353.356 0.271 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450608 836527915 /nfs/dbraw/zinc/52/79/15/836527915.db2.gz UHUSPBFCMNECRD-UHFFFAOYSA-N -2 3 352.763 0.967 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450608 836527922 /nfs/dbraw/zinc/52/79/22/836527922.db2.gz UHUSPBFCMNECRD-UHFFFAOYSA-N -2 3 352.763 0.967 20 0 FCADHL O=C(c1cc([O-])cc(Br)c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001138990884 849324542 /nfs/dbraw/zinc/32/45/42/849324542.db2.gz FCQRNIMZPGXERZ-UHFFFAOYSA-N -2 3 368.191 0.792 20 0 FCADHL O=P([O-])([O-])OCCNc1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001157795636 849995425 /nfs/dbraw/zinc/99/54/25/849995425.db2.gz IHJJQNUSAWMNAW-UHFFFAOYSA-N -2 3 358.339 0.015 20 0 FCADHL COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001180792000 851067125 /nfs/dbraw/zinc/06/71/25/851067125.db2.gz NRIRERMFWFIQQW-JTQLQIEISA-N -2 3 354.340 0.600 20 0 FCADHL CN(C)c1nc([N-]S(=O)(=O)c2cnc(Cl)nc2)c(N=O)c(=O)[n-]1 ZINC001185004937 851332850 /nfs/dbraw/zinc/33/28/50/851332850.db2.gz ZSNMGIXKUDJREC-UHFFFAOYSA-N -2 3 359.755 0.890 20 0 FCADHL COC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185565801 851362597 /nfs/dbraw/zinc/36/25/97/851362597.db2.gz DXHAPQGWNSHXKC-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL COC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185565801 851362604 /nfs/dbraw/zinc/36/26/04/851362604.db2.gz DXHAPQGWNSHXKC-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL N=C(NC(=O)c1ccccc1-c1nnn[n-]1)SCCS(=O)(=O)[O-] ZINC001187008428 851499971 /nfs/dbraw/zinc/49/99/71/851499971.db2.gz MMFCMYFCYUBZGN-UHFFFAOYSA-N -2 3 356.389 0.152 20 0 FCADHL N=C(NC(=O)c1ccccc1-c1nn[n-]n1)SCCS(=O)(=O)[O-] ZINC001187008428 851499975 /nfs/dbraw/zinc/49/99/75/851499975.db2.gz MMFCMYFCYUBZGN-UHFFFAOYSA-N -2 3 356.389 0.152 20 0 FCADHL CCOC(=O)C(NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)=C(C)[O-] ZINC001188337659 851671152 /nfs/dbraw/zinc/67/11/52/851671152.db2.gz ZDEAGBBGIXTGAQ-NSHDSACASA-N -2 3 363.775 0.837 20 0 FCADHL CN1CCC[C@H]2CN(C(=O)c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)C[C@@H]21 ZINC001189924874 851844305 /nfs/dbraw/zinc/84/43/05/851844305.db2.gz UERIFKDCXBWHLC-HZMBPMFUSA-N -2 3 368.411 0.798 20 0 FCADHL CN1CCC[C@@](C)(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1 ZINC001189941953 851847501 /nfs/dbraw/zinc/84/75/01/851847501.db2.gz UWSFEVVMAKXROI-OAHLLOKOSA-N -2 3 356.400 0.846 20 0 FCADHL COC(=O)[C@H](COC(C)(C)C)NC(=O)NCCCCP(=O)([O-])[O-] ZINC001191928730 852156212 /nfs/dbraw/zinc/15/62/12/852156212.db2.gz LFDGYALAQRNZRC-JTQLQIEISA-N -2 3 354.340 0.600 20 0 FCADHL CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195253768 852731233 /nfs/dbraw/zinc/73/12/33/852731233.db2.gz DFSUQUMNHXYFEA-QMMMGPOBSA-N -2 3 350.343 0.272 20 0 FCADHL COc1nccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001195254589 852731501 /nfs/dbraw/zinc/73/15/01/852731501.db2.gz NKEXJKJATFIDHD-UHFFFAOYSA-N -2 3 359.310 0.940 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCOC2)c(F)cc1F ZINC001195258316 852732461 /nfs/dbraw/zinc/73/24/61/852732461.db2.gz NTUDMZOPYWBYPQ-RDDDGLTNSA-N -2 3 351.327 0.339 20 0 FCADHL COC(=O)[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCOC1 ZINC001195267737 852734861 /nfs/dbraw/zinc/73/48/61/852734861.db2.gz FOELYJFNMKVNNJ-ZDUSSCGKSA-N -2 3 365.310 0.273 20 0 FCADHL CS(=O)(=O)[N-]c1ccsc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001196740052 853007279 /nfs/dbraw/zinc/00/72/79/853007279.db2.gz VATZBODGMQVEFU-UHFFFAOYSA-N -3 3 356.362 0.807 20 0 FCADHL O=S(=O)([O-])C[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201899049 853553984 /nfs/dbraw/zinc/55/39/84/853553984.db2.gz DXMWDQDQOQZNSC-UHFFFAOYSA-N -2 3 358.397 0.784 20 0 FCADHL CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@@H]2Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569176 857165877 /nfs/dbraw/zinc/16/58/77/857165877.db2.gz UVKLGKVUAJJDBD-BJOHPYRUSA-N -2 3 354.363 0.830 20 0 FCADHL CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H](Oc3nc(=O)[n-]c(=O)[n-]3)CC[C@@H]21 ZINC001227568911 857166151 /nfs/dbraw/zinc/16/61/51/857166151.db2.gz QDJRBEFWNGJCCW-LPEHRKFASA-N -2 3 354.363 0.829 20 0 FCADHL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=S)nc2sccc21)[C@@H](O)C(=O)[O-] ZINC001229570075 857275655 /nfs/dbraw/zinc/27/56/55/857275655.db2.gz OIJLMWMESWVHCO-CAHLUQPWSA-N -3 3 358.353 0.422 20 0 FCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c([O-])c2)cc1 ZINC001259146494 858243518 /nfs/dbraw/zinc/24/35/18/858243518.db2.gz JSLGWOHDRMLRAZ-UHFFFAOYSA-N -2 3 370.408 0.695 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(=O)o[n-]2)ccc1F ZINC001320511679 868190802 /nfs/dbraw/zinc/19/08/02/868190802.db2.gz 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O=C([O-])Cn1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)n1 ZINC000663145181 493574998 /nfs/dbraw/zinc/57/49/98/493574998.db2.gz OJLPOGKRUIHVMR-UHFFFAOYSA-N -2 3 358.401 0.336 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000678984229 493666597 /nfs/dbraw/zinc/66/65/97/493666597.db2.gz VGUCBCRDUMYHQR-RMLUDKJBSA-N -2 3 359.404 0.328 20 0 FCADHL CCN(CCOCCNC(=O)c1ncccc1[O-])C(=O)c1ncccc1[O-] ZINC000412424659 528566935 /nfs/dbraw/zinc/56/69/35/528566935.db2.gz UIMLVRJRAMPWGN-UHFFFAOYSA-N -2 3 374.397 0.797 20 0 FCADHL CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1 ZINC000594689133 546814875 /nfs/dbraw/zinc/81/48/75/546814875.db2.gz DBADVTMSXFLXMD-XVKPBYJWSA-N -2 3 363.310 0.034 20 0 FCADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(F)(F)F ZINC000552000649 547183587 /nfs/dbraw/zinc/18/35/87/547183587.db2.gz KXECVDFGCNMOIJ-IUCAKERBSA-N -2 3 371.337 0.776 20 0 FCADHL CCc1ocnc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736713444 598909645 /nfs/dbraw/zinc/90/96/45/598909645.db2.gz OBEAPHHXQKYFFG-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL CCc1ocnc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736713444 598909647 /nfs/dbraw/zinc/90/96/47/598909647.db2.gz OBEAPHHXQKYFFG-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL O=C(C[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737822820 598910356 /nfs/dbraw/zinc/91/03/56/598910356.db2.gz PJEIJSWQRFQSLS-JTQLQIEISA-N -2 3 351.388 0.239 20 0 FCADHL O=C(C[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737822820 598910359 /nfs/dbraw/zinc/91/03/59/598910359.db2.gz PJEIJSWQRFQSLS-JTQLQIEISA-N -2 3 351.388 0.239 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCOC1 ZINC000737300481 598977113 /nfs/dbraw/zinc/97/71/13/598977113.db2.gz ZCFCRQWAWIBGOH-NSHDSACASA-N -2 3 351.388 0.407 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCOC1 ZINC000737300481 598977114 /nfs/dbraw/zinc/97/71/14/598977114.db2.gz ZCFCRQWAWIBGOH-NSHDSACASA-N -2 3 351.388 0.407 20 0 FCADHL CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736609224 598977339 /nfs/dbraw/zinc/97/73/39/598977339.db2.gz DSUMXLDEEJRKCU-WDEREUQCSA-N -2 3 351.388 0.405 20 0 FCADHL CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736609224 598977341 /nfs/dbraw/zinc/97/73/41/598977341.db2.gz DSUMXLDEEJRKCU-WDEREUQCSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1[nH]nc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737201596 599154468 /nfs/dbraw/zinc/15/44/68/599154468.db2.gz HORQHWNHIVUSAR-UHFFFAOYSA-N -2 3 361.387 0.466 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000736186133 599189829 /nfs/dbraw/zinc/18/98/29/599189829.db2.gz XFZZJUWJSDCLQY-JTQLQIEISA-N -2 3 374.382 0.534 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000736186133 599189832 /nfs/dbraw/zinc/18/98/32/599189832.db2.gz XFZZJUWJSDCLQY-JTQLQIEISA-N -2 3 374.382 0.534 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cs1 ZINC000821668298 599233342 /nfs/dbraw/zinc/23/33/42/599233342.db2.gz ZLNAFEUJGLLRLE-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cs1 ZINC000821668298 599233344 /nfs/dbraw/zinc/23/33/44/599233344.db2.gz ZLNAFEUJGLLRLE-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL C[C@H](C(=O)[O-])N(C)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000769525785 597461373 /nfs/dbraw/zinc/46/13/73/597461373.db2.gz IFQCOTGEJNAYGL-SSDOTTSWSA-N -2 3 362.354 0.951 20 0 FCADHL O=C(c1ncccc1[O-])N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738292719 598287114 /nfs/dbraw/zinc/28/71/14/598287114.db2.gz OQUNGLUUKBQNRL-UHFFFAOYSA-N -2 3 351.370 0.930 20 0 FCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736731645 598307378 /nfs/dbraw/zinc/30/73/78/598307378.db2.gz PWHMQOIGDUACHD-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736731645 598307379 /nfs/dbraw/zinc/30/73/79/598307379.db2.gz PWHMQOIGDUACHD-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738214993 598506592 /nfs/dbraw/zinc/50/65/92/598506592.db2.gz OVZPFNFNFXXJDR-AWEZNQCLSA-N -2 3 373.394 0.841 20 0 FCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738214993 598506594 /nfs/dbraw/zinc/50/65/94/598506594.db2.gz OVZPFNFNFXXJDR-AWEZNQCLSA-N -2 3 373.394 0.841 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736895842 598554492 /nfs/dbraw/zinc/55/44/92/598554492.db2.gz GVQNTCVEBHVDOI-ZDUSSCGKSA-N -2 3 374.382 0.454 20 0 FCADHL Cc1sc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c(-c2nnn[n-]2)c1C ZINC000737564641 598616945 /nfs/dbraw/zinc/61/69/45/598616945.db2.gz RUUAIVNLBJBQHT-UHFFFAOYSA-N -2 3 371.386 0.568 20 0 FCADHL Cc1sc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c(-c2nn[n-]n2)c1C ZINC000737564641 598616946 /nfs/dbraw/zinc/61/69/46/598616946.db2.gz RUUAIVNLBJBQHT-UHFFFAOYSA-N -2 3 371.386 0.568 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736628052 598740042 /nfs/dbraw/zinc/74/00/42/598740042.db2.gz ZJEZJGAPMBJGSL-JTQLQIEISA-N -2 3 369.403 0.117 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736628052 598740043 /nfs/dbraw/zinc/74/00/43/598740043.db2.gz ZJEZJGAPMBJGSL-JTQLQIEISA-N -2 3 369.403 0.117 20 0 FCADHL COc1ccnc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737156432 599360061 /nfs/dbraw/zinc/36/00/61/599360061.db2.gz VBJUAEYYROSNOP-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL COc1ccnc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737156432 599360064 /nfs/dbraw/zinc/36/00/64/599360064.db2.gz VBJUAEYYROSNOP-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL COC(=O)c1ccnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736957787 599362063 /nfs/dbraw/zinc/36/20/63/599362063.db2.gz SXTMLLLPPHYFDH-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ccnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736957787 599362067 /nfs/dbraw/zinc/36/20/67/599362067.db2.gz SXTMLLLPPHYFDH-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821903077 599625696 /nfs/dbraw/zinc/62/56/96/599625696.db2.gz AMHFKGIKGWWYGO-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821903077 599625697 /nfs/dbraw/zinc/62/56/97/599625697.db2.gz AMHFKGIKGWWYGO-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(O)c1 ZINC000823387334 599695342 /nfs/dbraw/zinc/69/53/42/599695342.db2.gz IPBDPQLOBKAPBU-UHFFFAOYSA-N -3 3 362.327 0.466 20 0 FCADHL COc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000737926406 599772074 /nfs/dbraw/zinc/77/20/74/599772074.db2.gz XRXSXEQHUMQANA-UHFFFAOYSA-N -2 3 368.367 0.695 20 0 FCADHL CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CC2 ZINC000736523602 600448666 /nfs/dbraw/zinc/44/86/66/600448666.db2.gz CKAKNOVXYQUUOH-SECBINFHSA-N -2 3 354.388 0.986 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCCO1 ZINC000822222542 607445397 /nfs/dbraw/zinc/44/53/97/607445397.db2.gz LESFZDFBKDXJTB-LLVKDONJSA-N -2 3 351.388 0.549 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCCO1 ZINC000822222542 607445398 /nfs/dbraw/zinc/44/53/98/607445398.db2.gz LESFZDFBKDXJTB-LLVKDONJSA-N -2 3 351.388 0.549 20 0 FCADHL COCCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000826162456 607461762 /nfs/dbraw/zinc/46/17/62/607461762.db2.gz CREIPMQUNZQUAU-UHFFFAOYSA-N -2 3 365.375 0.416 20 0 FCADHL CN(C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)[C@@H]1CCCN(C)C1 ZINC000737519819 600929370 /nfs/dbraw/zinc/92/93/70/600929370.db2.gz IWUJXTMLNUSIAZ-MRXNPFEDSA-N -2 3 372.425 0.959 20 0 FCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000833089923 600935856 /nfs/dbraw/zinc/93/58/56/600935856.db2.gz HCLLIUNSFZPIEU-MRVPVSSYSA-N -2 3 350.306 0.282 20 0 FCADHL COCCOCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391571012 600992347 /nfs/dbraw/zinc/99/23/47/600992347.db2.gz USJYGYHGUMSSDU-UHFFFAOYSA-N -2 3 353.343 0.994 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821685470 607496058 /nfs/dbraw/zinc/49/60/58/607496058.db2.gz DWTUHZFUELIGNX-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821685470 607496060 /nfs/dbraw/zinc/49/60/60/607496060.db2.gz DWTUHZFUELIGNX-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL CN1CCO[C@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000321528353 601233207 /nfs/dbraw/zinc/23/32/07/601233207.db2.gz DMYQPLOBRKUVOI-MRVPVSSYSA-N -2 3 350.343 0.272 20 0 FCADHL CCOC(=O)[C@]1([N-]S(=O)(=O)N(C)CCC(=O)[O-])CCc2ccccc21 ZINC000829827503 601262164 /nfs/dbraw/zinc/26/21/64/601262164.db2.gz LWFMOQMVGWEXNP-INIZCTEOSA-N -2 3 370.427 0.632 20 0 FCADHL O=C([O-])c1ccsc1N1CC[C@@H]([N-]S(=O)(=O)C[C@H]2CCCO2)C1=O ZINC000833341973 601263367 /nfs/dbraw/zinc/26/33/67/601263367.db2.gz TUDGRKWMKNNSAF-MWLCHTKSSA-N -2 3 374.440 0.650 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1F ZINC000831029618 601665931 /nfs/dbraw/zinc/66/59/31/601665931.db2.gz ZUFGWSUPOSQTDE-JTQLQIEISA-N -2 3 360.363 0.050 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)ccc1F ZINC000831029619 601665935 /nfs/dbraw/zinc/66/59/35/601665935.db2.gz ZUFGWSUPOSQTDE-SNVBAGLBSA-N -2 3 360.363 0.050 20 0 FCADHL C[C@@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)c1nnc[nH]1 ZINC000827695281 601694748 /nfs/dbraw/zinc/69/47/48/601694748.db2.gz QEUBQVTUILMPSZ-SECBINFHSA-N -2 3 356.342 0.402 20 0 FCADHL O=C([O-])[C@@]1(F)CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000833110198 601718104 /nfs/dbraw/zinc/71/81/04/601718104.db2.gz LTLCRAIYFJLMGG-LLVKDONJSA-N -2 3 370.811 0.705 20 0 FCADHL O=C([O-])[C@@]1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCOC1 ZINC000776680528 601735317 /nfs/dbraw/zinc/73/53/17/601735317.db2.gz OKONDFLTPVUDGM-OAHLLOKOSA-N -2 3 372.374 0.240 20 0 FCADHL C[C@@H](CS(=O)(=O)[N-]C1(c2noc(CN(C)C)n2)CCCC1)C(=O)[O-] ZINC000827553274 601785714 /nfs/dbraw/zinc/78/57/14/601785714.db2.gz MEOFEGFVQOHKTC-JTQLQIEISA-N -2 3 360.436 0.541 20 0 FCADHL C[C@H](CS(=O)(=O)[N-][C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)[O-] ZINC000827554583 601801322 /nfs/dbraw/zinc/80/13/22/601801322.db2.gz XGEXKKOVUIGFTI-LDYMZIIASA-N -2 3 362.354 0.710 20 0 FCADHL C[S@@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000169121468 602156613 /nfs/dbraw/zinc/15/66/13/602156613.db2.gz FJLYYTNOUPCJKN-KRWDZBQOSA-N -2 3 360.207 0.397 20 0 FCADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000831074206 602206242 /nfs/dbraw/zinc/20/62/42/602206242.db2.gz VMGXOSSCZFYBOQ-GFCCVEGCSA-N -2 3 362.448 0.883 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CCCS2(=O)=O)c1F ZINC000322233013 602220953 /nfs/dbraw/zinc/22/09/53/602220953.db2.gz MGEICGBXRDRAMN-ZETCQYMHSA-N -2 3 369.367 0.519 20 0 FCADHL COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000761290641 604408930 /nfs/dbraw/zinc/40/89/30/604408930.db2.gz CEWVLZYJENFVFX-YFKPBYRVSA-N -2 3 370.177 0.828 20 0 FCADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cnn([C@@H]2CCOC2)c1 ZINC000826492578 607692587 /nfs/dbraw/zinc/69/25/87/607692587.db2.gz SBRXKMPKKGJHGO-SNVBAGLBSA-N -2 3 362.375 0.220 20 0 FCADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cnn([C@@H]2CCOC2)c1 ZINC000826492578 607692589 /nfs/dbraw/zinc/69/25/89/607692589.db2.gz SBRXKMPKKGJHGO-SNVBAGLBSA-N -2 3 362.375 0.220 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000833208264 604586072 /nfs/dbraw/zinc/58/60/72/604586072.db2.gz YJQMNKIJKZOOGX-ZETCQYMHSA-N -2 3 360.164 0.177 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822950306 606406313 /nfs/dbraw/zinc/40/63/13/606406313.db2.gz JIAWUCUODLDESG-LLVKDONJSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822950306 606406314 /nfs/dbraw/zinc/40/63/14/606406314.db2.gz JIAWUCUODLDESG-LLVKDONJSA-N -2 3 365.415 0.629 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cc(-c2nnn[n-]2)cs1 ZINC000823284474 606465506 /nfs/dbraw/zinc/46/55/06/606465506.db2.gz HVPYWPOOBUHWMD-SECBINFHSA-N -2 3 357.417 0.557 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cc(-c2nn[n-]n2)cs1 ZINC000823284474 606465508 /nfs/dbraw/zinc/46/55/08/606465508.db2.gz HVPYWPOOBUHWMD-SECBINFHSA-N -2 3 357.417 0.557 20 0 FCADHL COC(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1C ZINC000821668206 606590707 /nfs/dbraw/zinc/59/07/07/606590707.db2.gz UYMOBRHTVXXWHO-UHFFFAOYSA-N -2 3 362.371 0.793 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc3c2OCCO3)n1 ZINC000822622964 606709998 /nfs/dbraw/zinc/70/99/98/606709998.db2.gz MDANLKAVLQPJHC-UHFFFAOYSA-N -2 3 363.359 0.172 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)n1 ZINC000822623061 606711152 /nfs/dbraw/zinc/71/11/52/606711152.db2.gz OFWUATVIKZZFSM-UHFFFAOYSA-N -2 3 361.343 0.071 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCO1 ZINC000820577833 606745680 /nfs/dbraw/zinc/74/56/80/606745680.db2.gz VZZJMGLYISYCEB-CQSZACIVSA-N -2 3 351.388 0.382 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC000820577833 606745681 /nfs/dbraw/zinc/74/56/81/606745681.db2.gz VZZJMGLYISYCEB-CQSZACIVSA-N -2 3 351.388 0.382 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822940710 606746209 /nfs/dbraw/zinc/74/62/09/606746209.db2.gz BJQDIVYYRPJEDI-NSHDSACASA-N -2 3 351.388 0.631 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822940710 606746212 /nfs/dbraw/zinc/74/62/12/606746212.db2.gz BJQDIVYYRPJEDI-NSHDSACASA-N -2 3 351.388 0.631 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCCO1 ZINC000820438005 606884248 /nfs/dbraw/zinc/88/42/48/606884248.db2.gz GAMNUGFWDUSHAY-HQJQHLMTSA-N -2 3 359.358 0.991 20 0 FCADHL CCN(CC)C(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821175250 606888171 /nfs/dbraw/zinc/88/81/71/606888171.db2.gz IYUWHHMQLICVCN-UHFFFAOYSA-N -2 3 374.373 0.292 20 0 FCADHL O=C(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)OCC1CC1 ZINC000823009509 606889256 /nfs/dbraw/zinc/88/92/56/606889256.db2.gz LEKTXBQDRFYJEE-UHFFFAOYSA-N -2 3 373.341 0.376 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCOC1 ZINC000820438506 606893657 /nfs/dbraw/zinc/89/36/57/606893657.db2.gz QXGCKVBITDCUJE-HTQZYQBOSA-N -2 3 359.358 0.848 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)O1 ZINC000820678655 606917231 /nfs/dbraw/zinc/91/72/31/606917231.db2.gz WVNTXDLKXARJNF-SKDRFNHKSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)O1 ZINC000820678655 606917233 /nfs/dbraw/zinc/91/72/33/606917233.db2.gz WVNTXDLKXARJNF-SKDRFNHKSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820677289 606917275 /nfs/dbraw/zinc/91/72/75/606917275.db2.gz QHHWSFRSBLEDPQ-JOYOIKCWSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820677289 606917276 /nfs/dbraw/zinc/91/72/76/606917276.db2.gz QHHWSFRSBLEDPQ-JOYOIKCWSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC000820674288 606920808 /nfs/dbraw/zinc/92/08/08/606920808.db2.gz CKCWUABMDHXHLW-SKDRFNHKSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC000820674288 606920810 /nfs/dbraw/zinc/92/08/10/606920810.db2.gz CKCWUABMDHXHLW-SKDRFNHKSA-N -2 3 351.388 0.380 20 0 FCADHL NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000822889740 606981045 /nfs/dbraw/zinc/98/10/45/606981045.db2.gz DEUGKILFAJYUFS-UHFFFAOYSA-N -2 3 368.375 0.967 20 0 FCADHL NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000822889740 606981047 /nfs/dbraw/zinc/98/10/47/606981047.db2.gz DEUGKILFAJYUFS-UHFFFAOYSA-N -2 3 368.375 0.967 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821670075 607026107 /nfs/dbraw/zinc/02/61/07/607026107.db2.gz MAEQDAOPLROLFD-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000820541879 607108463 /nfs/dbraw/zinc/10/84/63/607108463.db2.gz JMKWUVRIFQBBGT-VIFPVBQESA-N -2 3 357.330 0.554 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000820541879 607108464 /nfs/dbraw/zinc/10/84/64/607108464.db2.gz JMKWUVRIFQBBGT-VIFPVBQESA-N -2 3 357.330 0.554 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCSCC(=O)[O-] ZINC000820543261 607110489 /nfs/dbraw/zinc/11/04/89/607110489.db2.gz XLNCGZYFWLZZEJ-SECBINFHSA-N -2 3 351.388 0.568 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCSCC(=O)[O-] ZINC000820543261 607110490 /nfs/dbraw/zinc/11/04/90/607110490.db2.gz XLNCGZYFWLZZEJ-SECBINFHSA-N -2 3 351.388 0.568 20 0 FCADHL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821671246 607155370 /nfs/dbraw/zinc/15/53/70/607155370.db2.gz OFNZOBSUUPYMOU-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL O=S(=O)([N-]c1cc(-c2cccnc2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823583526 607173519 /nfs/dbraw/zinc/17/35/19/607173519.db2.gz SCPQLANACQSENX-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL O=S(=O)([N-][C@@H]1CCCC[C@@H]1CO)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487876 607971373 /nfs/dbraw/zinc/97/13/73/607971373.db2.gz BZICLPVFVLXGQC-PRHODGIISA-N -2 3 373.385 0.974 20 0 FCADHL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)s1 ZINC000824005443 608306634 /nfs/dbraw/zinc/30/66/34/608306634.db2.gz SHHICUXCDXFMLX-UHFFFAOYSA-N -2 3 369.392 0.114 20 0 FCADHL O=S(=O)([N-]CCCn1ccnc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490658 608352459 /nfs/dbraw/zinc/35/24/59/608352459.db2.gz CHIYPLGWEBAVHU-UHFFFAOYSA-N -2 3 369.357 0.710 20 0 FCADHL CN(CC(=O)[O-])C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825898066 609144812 /nfs/dbraw/zinc/14/48/12/609144812.db2.gz XSWCIZKMCYRORO-UHFFFAOYSA-N -2 3 350.404 0.826 20 0 FCADHL CN(CC(=O)[O-])C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825898066 609144817 /nfs/dbraw/zinc/14/48/17/609144817.db2.gz XSWCIZKMCYRORO-UHFFFAOYSA-N -2 3 350.404 0.826 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826249541 609161665 /nfs/dbraw/zinc/16/16/65/609161665.db2.gz HXJBJFBESUEBPP-NSHDSACASA-N -2 3 351.388 0.414 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826249541 609161664 /nfs/dbraw/zinc/16/16/64/609161664.db2.gz HXJBJFBESUEBPP-NSHDSACASA-N -2 3 351.388 0.414 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826402553 609366984 /nfs/dbraw/zinc/36/69/84/609366984.db2.gz WYNIYKBVTSAMPR-GUOLPTJISA-N -2 3 363.399 0.505 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826402553 609366986 /nfs/dbraw/zinc/36/69/86/609366986.db2.gz WYNIYKBVTSAMPR-GUOLPTJISA-N -2 3 363.399 0.505 20 0 FCADHL CC(C)(C)OCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824119468 609384471 /nfs/dbraw/zinc/38/44/71/609384471.db2.gz JUFSQWGDBCIOSM-UHFFFAOYSA-N -2 3 353.404 0.628 20 0 FCADHL CC(C)(C)OCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824119468 609384473 /nfs/dbraw/zinc/38/44/73/609384473.db2.gz JUFSQWGDBCIOSM-UHFFFAOYSA-N -2 3 353.404 0.628 20 0 FCADHL O=C([N-]N1CN=NC1=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826461543 609436106 /nfs/dbraw/zinc/43/61/06/609436106.db2.gz ZAOAMSWBMHDCAU-UHFFFAOYSA-N -2 3 368.313 0.720 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CC2(O)CCOCC2)c1F ZINC000321354460 970763973 /nfs/dbraw/zinc/76/39/73/970763973.db2.gz MSPISEXUYDRPMR-UHFFFAOYSA-N -2 3 367.782 0.997 20 0 FCADHL CNC(=O)[N-][N-]S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C ZINC000057124770 666554700 /nfs/dbraw/zinc/55/47/00/666554700.db2.gz MOWKMNZHMHXXDR-UHFFFAOYSA-N -2 3 364.449 0.106 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCO[C@H]1CCOC1 ZINC000923256479 667819980 /nfs/dbraw/zinc/81/99/80/667819980.db2.gz YRNFSKBDKMMBNS-AXFHLTTASA-N -2 3 354.325 0.388 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(N)=O ZINC000761242300 667883242 /nfs/dbraw/zinc/88/32/42/667883242.db2.gz KUVXAHLAUMILKB-VKHMYHEASA-N -2 3 357.207 0.361 20 0 FCADHL O=C(c1cc(Br)ccc1[O-])N1CCO[C@H](c2nnn[n-]2)C1 ZINC000738246758 667909682 /nfs/dbraw/zinc/90/96/82/667909682.db2.gz IWOXQYBNPRBIEY-JTQLQIEISA-N -2 3 354.164 0.882 20 0 FCADHL O=C(c1cc(Br)ccc1[O-])N1CCO[C@H](c2nn[n-]n2)C1 ZINC000738246758 667909684 /nfs/dbraw/zinc/90/96/84/667909684.db2.gz IWOXQYBNPRBIEY-JTQLQIEISA-N -2 3 354.164 0.882 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000776437028 668261733 /nfs/dbraw/zinc/26/17/33/668261733.db2.gz GYVLOSWXZRBZKZ-LLVKDONJSA-N -2 3 371.346 0.310 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000776616251 668279519 /nfs/dbraw/zinc/27/95/19/668279519.db2.gz XATURSRPMROFDQ-HTQZYQBOSA-N -2 3 360.775 0.829 20 0 FCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1 ZINC000776640689 668281722 /nfs/dbraw/zinc/28/17/22/668281722.db2.gz NBADGYWWIDRTKL-UHFFFAOYSA-N -2 3 351.812 0.542 20 0 FCADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822379735 669262821 /nfs/dbraw/zinc/26/28/21/669262821.db2.gz SURWUSSOYCARHT-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822379735 669262822 /nfs/dbraw/zinc/26/28/22/669262822.db2.gz SURWUSSOYCARHT-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449934 669493992 /nfs/dbraw/zinc/49/39/92/669493992.db2.gz PLTQCXNXZKUMIS-UHFFFAOYSA-N -2 3 352.298 0.597 20 0 FCADHL O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449934 669493999 /nfs/dbraw/zinc/49/39/99/669493999.db2.gz PLTQCXNXZKUMIS-UHFFFAOYSA-N -2 3 352.298 0.597 20 0 FCADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cnn([C@@H]2CCOC2)c1 ZINC000826492970 669495841 /nfs/dbraw/zinc/49/58/41/669495841.db2.gz NNDDRBQUZPXUHN-SNVBAGLBSA-N -2 3 361.387 0.825 20 0 FCADHL O=C(NN1CC(=O)[N-]C1=O)c1c([O-])cnc2c(Br)cccc21 ZINC000809969014 669654393 /nfs/dbraw/zinc/65/43/93/669654393.db2.gz LQDYKQZILQOZLX-UHFFFAOYSA-N -2 3 365.143 0.900 20 0 FCADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(F)ccc1I ZINC000816733228 669975813 /nfs/dbraw/zinc/97/58/13/669975813.db2.gz NWUGBXJYEIEZMF-UHFFFAOYSA-N -2 3 364.074 0.817 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])s1 ZINC000837290733 670094845 /nfs/dbraw/zinc/09/48/45/670094845.db2.gz FRWLZNQDUSBBDU-QMMMGPOBSA-N -2 3 365.433 0.708 20 0 FCADHL CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1 ZINC000837296545 670097430 /nfs/dbraw/zinc/09/74/30/670097430.db2.gz PMDWKBGQELHHCD-MRVPVSSYSA-N -2 3 359.784 0.445 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1F ZINC000843336491 670799910 /nfs/dbraw/zinc/79/99/10/670799910.db2.gz ZZFOOCMIUWGAJC-MWLCHTKSSA-N -2 3 358.391 0.917 20 0 FCADHL O=C([O-])[C@H](O)C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000849222164 671322546 /nfs/dbraw/zinc/32/25/46/671322546.db2.gz QQWIHPWBDCBUJZ-ZCFIWIBFSA-N -2 3 359.585 0.221 20 0 FCADHL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000851626178 671451639 /nfs/dbraw/zinc/45/16/39/671451639.db2.gz JLTUALOKTCWXJD-HOMQSWHASA-N -2 3 356.375 0.859 20 0 FCADHL Cc1noc(CCCN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000852735062 671521094 /nfs/dbraw/zinc/52/10/94/671521094.db2.gz FDXVKMQBRWMGOF-GXSJLCMTSA-N -2 3 364.324 0.907 20 0 FCADHL COc1ccc([O-])c(S(=O)(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000867900126 672379962 /nfs/dbraw/zinc/37/99/62/672379962.db2.gz BSGSVDFFDIJXSM-UHFFFAOYSA-N -2 3 368.333 0.700 20 0 FCADHL COCCN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)C1 ZINC000871946631 672584928 /nfs/dbraw/zinc/58/49/28/672584928.db2.gz GKOSVIOKQIEXPL-JTQLQIEISA-N -2 3 364.370 0.662 20 0 FCADHL CN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000902064428 675824329 /nfs/dbraw/zinc/82/43/29/675824329.db2.gz DQZDZPRAAMNKTI-OUAUKWLOSA-N -2 3 365.352 0.593 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1noc(-c2ccccc2[O-])n1 ZINC000783555962 1190664139 /nfs/dbraw/zinc/66/41/39/1190664139.db2.gz XHZSEBDNEWOSAW-UHFFFAOYSA-N -2 3 368.309 0.570 20 0 FCADHL COC(=O)Cc1nc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)n[n-]1 ZINC000736112327 1197919635 /nfs/dbraw/zinc/91/96/35/1197919635.db2.gz WFWYXNDZVFIEEE-UHFFFAOYSA-N -2 3 359.346 0.067 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1=O ZINC001152715749 1222956062 /nfs/dbraw/zinc/95/60/62/1222956062.db2.gz APSBXYLMXVCXIA-UHFFFAOYSA-N -2 3 361.402 0.260 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC000994185235 1250258253 /nfs/dbraw/zinc/25/82/53/1250258253.db2.gz JLNNHXSVJRLCIU-GHMZBOCLSA-N -2 3 357.370 0.421 20 0 FCADHL Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C3)c1[O-] ZINC000999504593 1252129140 /nfs/dbraw/zinc/12/91/40/1252129140.db2.gz IBTDIFCFCTYEBK-VWYCJHECSA-N -2 3 372.385 0.403 20 0 FCADHL O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC001549225376 1267866451 /nfs/dbraw/zinc/86/64/51/1267866451.db2.gz SSIKVJOUHGSXDM-PJFSTRORSA-N -2 3 374.393 0.556 20 0 FCADHL C[C@H](C[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1[O-] ZINC001574541976 1271322421 /nfs/dbraw/zinc/32/24/21/1271322421.db2.gz CRJRTXQGQLFYLN-GHMZBOCLSA-N -2 3 368.401 0.793 20 0 FCADHL C[C@@H](C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574544815 1271331037 /nfs/dbraw/zinc/33/10/37/1271331037.db2.gz UUWVKLKAYOHJJT-UWVGGRQHSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@@H](C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574544815 1271331043 /nfs/dbraw/zinc/33/10/43/1271331043.db2.gz UUWVKLKAYOHJJT-UWVGGRQHSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574548125 1271337742 /nfs/dbraw/zinc/33/77/42/1271337742.db2.gz WNJHRYXGQFAFTF-ZJUUUORDSA-N -2 3 369.389 0.188 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1ncccc1-c1nnn[n-]1 ZINC001574650182 1271450076 /nfs/dbraw/zinc/45/00/76/1271450076.db2.gz FYQAAPNIIKTSKY-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1ncccc1-c1nn[n-]n1 ZINC001574650182 1271450085 /nfs/dbraw/zinc/45/00/85/1271450085.db2.gz FYQAAPNIIKTSKY-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL C[C@H](CCNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1ncccc1[O-] ZINC001574664072 1271466120 /nfs/dbraw/zinc/46/61/20/1271466120.db2.gz UPDMMSGURWRCCA-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL C[C@H](CCNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1ncccc1[O-] ZINC001574664072 1271466125 /nfs/dbraw/zinc/46/61/25/1271466125.db2.gz UPDMMSGURWRCCA-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575356080 1271986136 /nfs/dbraw/zinc/98/61/36/1271986136.db2.gz LZXAQGWQMNDBFS-UWVGGRQHSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575356080 1271986148 /nfs/dbraw/zinc/98/61/48/1271986148.db2.gz LZXAQGWQMNDBFS-UWVGGRQHSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575356079 1271986367 /nfs/dbraw/zinc/98/63/67/1271986367.db2.gz LZXAQGWQMNDBFS-NXEZZACHSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575356079 1271986369 /nfs/dbraw/zinc/98/63/69/1271986369.db2.gz LZXAQGWQMNDBFS-NXEZZACHSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001575439794 1272109929 /nfs/dbraw/zinc/10/99/29/1272109929.db2.gz VPIVTSMBTOCHRR-IUCAKERBSA-N -2 3 355.362 0.254 20 0 FCADHL C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001575439794 1272109934 /nfs/dbraw/zinc/10/99/34/1272109934.db2.gz VPIVTSMBTOCHRR-IUCAKERBSA-N -2 3 355.362 0.254 20 0 FCADHL C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001575445025 1272116741 /nfs/dbraw/zinc/11/67/41/1272116741.db2.gz POOVFVPRDBKNGY-RKDXNWHRSA-N -2 3 355.362 0.833 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001576351345 1273174884 /nfs/dbraw/zinc/17/48/84/1273174884.db2.gz LTFQVMNCJYBOHX-ZYHUDNBSSA-N -2 3 366.385 0.935 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001576351345 1273174886 /nfs/dbraw/zinc/17/48/86/1273174886.db2.gz LTFQVMNCJYBOHX-ZYHUDNBSSA-N -2 3 366.385 0.935 20 0 FCADHL CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001576851400 1273801372 /nfs/dbraw/zinc/80/13/72/1273801372.db2.gz LUXKQTYHHWDHRP-JTQLQIEISA-N -2 3 371.405 0.928 20 0 FCADHL CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ncccc1-c1nn[n-]n1 ZINC001576851637 1273802349 /nfs/dbraw/zinc/80/23/49/1273802349.db2.gz OMOQTBOOHVOSHM-SECBINFHSA-N -2 3 357.378 0.619 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576918375 1273939094 /nfs/dbraw/zinc/93/90/94/1273939094.db2.gz NTLRJRNPKYNBIB-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576918375 1273939101 /nfs/dbraw/zinc/93/91/01/1273939101.db2.gz NTLRJRNPKYNBIB-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL CCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001577676382 1274720433 /nfs/dbraw/zinc/72/04/33/1274720433.db2.gz SNRQBLJQRNXNCT-SSDOTTSWSA-N -2 3 374.373 0.338 20 0 FCADHL CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001578392668 1275770610 /nfs/dbraw/zinc/77/06/10/1275770610.db2.gz CEYHYDWFKXOXAQ-UHFFFAOYSA-N -2 3 362.375 0.820 20 0 FCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001578392668 1275770614 /nfs/dbraw/zinc/77/06/14/1275770614.db2.gz CEYHYDWFKXOXAQ-UHFFFAOYSA-N -2 3 362.375 0.820 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001578949380 1276494592 /nfs/dbraw/zinc/49/45/92/1276494592.db2.gz HGVDZXCEILXKQH-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001578949380 1276494596 /nfs/dbraw/zinc/49/45/96/1276494596.db2.gz HGVDZXCEILXKQH-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL CN(CCCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)c1ncccc1[O-] ZINC001579120066 1276792806 /nfs/dbraw/zinc/79/28/06/1276792806.db2.gz IEAKXPJHGOSUBV-UHFFFAOYSA-N -2 3 369.389 0.356 20 0 FCADHL CN(CCCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)c1ncccc1[O-] ZINC001579120066 1276792811 /nfs/dbraw/zinc/79/28/11/1276792811.db2.gz IEAKXPJHGOSUBV-UHFFFAOYSA-N -2 3 369.389 0.356 20 0 FCADHL CN(CCN(C)c1ncccc1-c1nnn[n-]1)C(=O)c1ncccc1[O-] ZINC001579158570 1276904093 /nfs/dbraw/zinc/90/40/93/1276904093.db2.gz PJXLWCDINXEKHV-UHFFFAOYSA-N -2 3 354.374 0.571 20 0 FCADHL CN(CCN(C)c1ncccc1-c1nn[n-]n1)C(=O)c1ncccc1[O-] ZINC001579158570 1276904105 /nfs/dbraw/zinc/90/41/05/1276904105.db2.gz PJXLWCDINXEKHV-UHFFFAOYSA-N -2 3 354.374 0.571 20 0 FCADHL COC(=O)CC1(NCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCCC1 ZINC001579447671 1277337680 /nfs/dbraw/zinc/33/76/80/1277337680.db2.gz QHSVRVWUWXRCOB-UHFFFAOYSA-N -2 3 372.389 0.581 20 0 FCADHL CC(C)(C)Oc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1-c1nnn[n-]1 ZINC001603106473 1287308934 /nfs/dbraw/zinc/30/89/34/1287308934.db2.gz NRTMTJZRTDMSSC-UHFFFAOYSA-N -2 3 374.361 0.685 20 0 FCADHL CC(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)cc1[O-] ZINC001603108875 1287308942 /nfs/dbraw/zinc/30/89/42/1287308942.db2.gz KWPKSQXYPAOUPB-UHFFFAOYSA-N -2 3 355.368 0.357 20 0 FCADHL C[C@@H](CCNC(=O)c1ccccc1[O-])Nc1ccnc(-c2nnn[n-]2)n1 ZINC001580257786 1278054945 /nfs/dbraw/zinc/05/49/45/1278054945.db2.gz AUSYQULKVWSFKR-JTQLQIEISA-N -2 3 354.374 0.405 20 0 FCADHL CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001603203680 1287329876 /nfs/dbraw/zinc/32/98/76/1287329876.db2.gz WXGODOVVZYAAPB-NSHDSACASA-N -2 3 364.431 0.934 20 0 FCADHL CC(C)[C@H](CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)[O-] ZINC001603217174 1287334766 /nfs/dbraw/zinc/33/47/66/1287334766.db2.gz ZWZDZFNAHUQGKO-NSHDSACASA-N -2 3 362.394 0.330 20 0 FCADHL CC(C)[C@H](CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC001603217174 1287334771 /nfs/dbraw/zinc/33/47/71/1287334771.db2.gz ZWZDZFNAHUQGKO-NSHDSACASA-N -2 3 362.394 0.330 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001581075085 1279329079 /nfs/dbraw/zinc/32/90/79/1279329079.db2.gz XNJRMKOMDKGCBN-NSHDSACASA-N -2 3 366.385 0.679 20 0 FCADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001603386529 1287364776 /nfs/dbraw/zinc/36/47/76/1287364776.db2.gz OICPNJACCGEANS-JTQLQIEISA-N -3 3 372.307 0.980 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001603447987 1287374820 /nfs/dbraw/zinc/37/48/20/1287374820.db2.gz BZWMMOAPUYMCKN-PWSUYJOCSA-N -2 3 365.415 0.877 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001603447987 1287374821 /nfs/dbraw/zinc/37/48/21/1287374821.db2.gz BZWMMOAPUYMCKN-PWSUYJOCSA-N -2 3 365.415 0.877 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581391544 1279821401 /nfs/dbraw/zinc/82/14/01/1279821401.db2.gz KPHGYMJTXCZHBZ-VIFPVBQESA-N -2 3 355.362 0.008 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581391560 1279822148 /nfs/dbraw/zinc/82/21/48/1279822148.db2.gz UEROVPDXVLOQJO-SFYZADRCSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581391560 1279822156 /nfs/dbraw/zinc/82/21/56/1279822156.db2.gz UEROVPDXVLOQJO-SFYZADRCSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1[O-] ZINC001581391877 1279823355 /nfs/dbraw/zinc/82/33/55/1279823355.db2.gz ZOFSOBPNKNOZPS-HTQZYQBOSA-N -2 3 372.393 0.403 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1[O-] ZINC001581391877 1279823358 /nfs/dbraw/zinc/82/33/58/1279823358.db2.gz ZOFSOBPNKNOZPS-HTQZYQBOSA-N -2 3 372.393 0.403 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)c1[O-] ZINC001581391969 1279823879 /nfs/dbraw/zinc/82/38/79/1279823879.db2.gz QJVGBJLEMNDHGH-RXMQYKEDSA-N -2 3 363.407 0.599 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)c1[O-] ZINC001581391969 1279823887 /nfs/dbraw/zinc/82/38/87/1279823887.db2.gz QJVGBJLEMNDHGH-RXMQYKEDSA-N -2 3 363.407 0.599 20 0 FCADHL C[C@@H](CCC(=O)[O-])CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001603466469 1287380760 /nfs/dbraw/zinc/38/07/60/1287380760.db2.gz NNSICAUZZGHQPO-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL C[C@@H](CCC(=O)[O-])CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001603466469 1287380763 /nfs/dbraw/zinc/38/07/63/1287380763.db2.gz NNSICAUZZGHQPO-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL CCOCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001609240338 1289015662 /nfs/dbraw/zinc/01/56/62/1289015662.db2.gz XYOYXLHWKYZKSC-UHFFFAOYSA-N -2 3 355.376 0.107 20 0 FCADHL CCOCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001609240338 1289015666 /nfs/dbraw/zinc/01/56/66/1289015666.db2.gz XYOYXLHWKYZKSC-UHFFFAOYSA-N -2 3 355.376 0.107 20 0 FCADHL Cc1noc([C@H]([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C(C)C)n1 ZINC001581624907 1280275775 /nfs/dbraw/zinc/27/57/75/1280275775.db2.gz QVNJVMQVRKZTRL-SNVBAGLBSA-N -2 3 353.364 0.827 20 0 FCADHL Cc1noc([C@H]([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C(C)C)n1 ZINC001581624907 1280275780 /nfs/dbraw/zinc/27/57/80/1280275780.db2.gz QVNJVMQVRKZTRL-SNVBAGLBSA-N -2 3 353.364 0.827 20 0 FCADHL O=C(NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)c1ncccc1[O-] ZINC001582350247 1281394383 /nfs/dbraw/zinc/39/43/83/1281394383.db2.gz SRWRXLHJIWMYMN-VIFPVBQESA-N -2 3 373.348 0.309 20 0 FCADHL O=C(NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)c1ncccc1[O-] ZINC001582350247 1281394389 /nfs/dbraw/zinc/39/43/89/1281394389.db2.gz SRWRXLHJIWMYMN-VIFPVBQESA-N -2 3 373.348 0.309 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001603830186 1287509747 /nfs/dbraw/zinc/50/97/47/1287509747.db2.gz HAMKMETUWJIOPL-LDYMZIIASA-N -2 3 369.378 0.631 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001603830186 1287509754 /nfs/dbraw/zinc/50/97/54/1287509754.db2.gz HAMKMETUWJIOPL-LDYMZIIASA-N -2 3 369.378 0.631 20 0 FCADHL O=C(NCCN(c1ccc(-c2nnn[n-]2)cn1)C1CC1)c1ncccc1[O-] ZINC001582512913 1281693946 /nfs/dbraw/zinc/69/39/46/1281693946.db2.gz LLLRSAAAAHMRGW-UHFFFAOYSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NCc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001582547618 1281738333 /nfs/dbraw/zinc/73/83/33/1281738333.db2.gz GEFFUBRKHQJDJZ-JTQLQIEISA-N -2 3 370.377 0.175 20 0 FCADHL O=C(NCc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001582547618 1281738341 /nfs/dbraw/zinc/73/83/41/1281738341.db2.gz GEFFUBRKHQJDJZ-JTQLQIEISA-N -2 3 370.377 0.175 20 0 FCADHL O=C([N-][C@H](CO)C(F)(F)F)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001582586540 1281776418 /nfs/dbraw/zinc/77/64/18/1281776418.db2.gz WBRUZLQMHKVRFJ-MRVPVSSYSA-N -2 3 351.235 0.998 20 0 FCADHL O=C([N-][C@H](CO)C(F)(F)F)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001582586540 1281776419 /nfs/dbraw/zinc/77/64/19/1281776419.db2.gz WBRUZLQMHKVRFJ-MRVPVSSYSA-N -2 3 351.235 0.998 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001582751824 1281978836 /nfs/dbraw/zinc/97/88/36/1281978836.db2.gz YFQRACNEUNYMBK-SNVBAGLBSA-N -2 3 367.373 0.332 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001582751824 1281978838 /nfs/dbraw/zinc/97/88/38/1281978838.db2.gz YFQRACNEUNYMBK-SNVBAGLBSA-N -2 3 367.373 0.332 20 0 FCADHL O=S(=O)([N-][C@@H]1CCC[C@@H]1CO)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582797782 1282020856 /nfs/dbraw/zinc/02/08/56/1282020856.db2.gz IXTYVXZHHSCUBI-RDDDGLTNSA-N -2 3 359.358 0.584 20 0 FCADHL O=c1cc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)nc(-c2ccccc2)[n-]1 ZINC001582806100 1282030149 /nfs/dbraw/zinc/03/01/49/1282030149.db2.gz FLEVXIGQONFZTG-UHFFFAOYSA-N -2 3 364.325 0.340 20 0 FCADHL O=c1cc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)nc(-c2ccccc2)[n-]1 ZINC001582806100 1282030157 /nfs/dbraw/zinc/03/01/57/1282030157.db2.gz FLEVXIGQONFZTG-UHFFFAOYSA-N -2 3 364.325 0.340 20 0 FCADHL CC(=O)Nc1ncccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001588887067 1282722338 /nfs/dbraw/zinc/72/23/38/1282722338.db2.gz PFMDKJDRDKSIDN-UHFFFAOYSA-N -2 3 360.359 0.416 20 0 FCADHL CC(=O)Nc1ncccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001588887067 1282722342 /nfs/dbraw/zinc/72/23/42/1282722342.db2.gz PFMDKJDRDKSIDN-UHFFFAOYSA-N -2 3 360.359 0.416 20 0 FCADHL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589058818 1282786052 /nfs/dbraw/zinc/78/60/52/1282786052.db2.gz ABTLYAODFHXOQY-UHFFFAOYSA-N -3 3 373.778 0.436 20 0 FCADHL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589058818 1282786057 /nfs/dbraw/zinc/78/60/57/1282786057.db2.gz ABTLYAODFHXOQY-UHFFFAOYSA-N -3 3 373.778 0.436 20 0 FCADHL CC(C)(C)OC(=O)N[C@H](CO)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589185222 1282814470 /nfs/dbraw/zinc/81/44/70/1282814470.db2.gz BANAOFKDQMGYGO-LLVKDONJSA-N -2 3 364.362 0.162 20 0 FCADHL CC(C)(C)OC(=O)N[C@H](CO)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589185222 1282814479 /nfs/dbraw/zinc/81/44/79/1282814479.db2.gz BANAOFKDQMGYGO-LLVKDONJSA-N -2 3 364.362 0.162 20 0 FCADHL CC(C)(CCNC(=O)C(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)C(=O)[O-] ZINC001589276651 1282826759 /nfs/dbraw/zinc/82/67/59/1282826759.db2.gz YDSIZVUIBVYIJY-UHFFFAOYSA-N -2 3 372.385 0.326 20 0 FCADHL CC(C)(CCNC(=O)C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)C(=O)[O-] ZINC001589276651 1282826763 /nfs/dbraw/zinc/82/67/63/1282826763.db2.gz YDSIZVUIBVYIJY-UHFFFAOYSA-N -2 3 372.385 0.326 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1cc(-c2nnn[n-]2)ccn1 ZINC001589313981 1282838401 /nfs/dbraw/zinc/83/84/01/1282838401.db2.gz LZBKHHMFTNIKOG-UHFFFAOYSA-N -2 3 358.280 0.762 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1cc(-c2nn[n-]n2)ccn1 ZINC001589313981 1282838411 /nfs/dbraw/zinc/83/84/11/1282838411.db2.gz LZBKHHMFTNIKOG-UHFFFAOYSA-N -2 3 358.280 0.762 20 0 FCADHL CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)[N-]OCCSC ZINC001609243476 1289017129 /nfs/dbraw/zinc/01/71/29/1289017129.db2.gz WIDONJSTYRLSRM-UHFFFAOYSA-N -2 3 366.403 0.615 20 0 FCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]OCCSC ZINC001609243476 1289017134 /nfs/dbraw/zinc/01/71/34/1289017134.db2.gz WIDONJSTYRLSRM-UHFFFAOYSA-N -2 3 366.403 0.615 20 0 FCADHL CC(C)[C@H](CNC(=O)C(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)C(=O)[O-] ZINC001589441609 1282882314 /nfs/dbraw/zinc/88/23/14/1282882314.db2.gz COAIDXFCZQERRX-ZDUSSCGKSA-N -2 3 372.385 0.182 20 0 FCADHL CC(C)[C@H](CNC(=O)C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)C(=O)[O-] ZINC001589441609 1282882324 /nfs/dbraw/zinc/88/23/24/1282882324.db2.gz COAIDXFCZQERRX-ZDUSSCGKSA-N -2 3 372.385 0.182 20 0 FCADHL CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589553280 1282908867 /nfs/dbraw/zinc/90/88/67/1282908867.db2.gz VDNMPPUFXMEHGW-LLVKDONJSA-N -2 3 360.374 0.668 20 0 FCADHL CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589553280 1282908876 /nfs/dbraw/zinc/90/88/76/1282908876.db2.gz VDNMPPUFXMEHGW-LLVKDONJSA-N -2 3 360.374 0.668 20 0 FCADHL CCN(c1cnc(-c2nnn[n-]2)cn1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001604334203 1287607889 /nfs/dbraw/zinc/60/78/89/1287607889.db2.gz DSXKCQKBTADIJQ-MRVPVSSYSA-N -2 3 372.393 0.039 20 0 FCADHL CCN(c1cnc(-c2nn[n-]n2)cn1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001604334203 1287607896 /nfs/dbraw/zinc/60/78/96/1287607896.db2.gz DSXKCQKBTADIJQ-MRVPVSSYSA-N -2 3 372.393 0.039 20 0 FCADHL C[C@@H](CCCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589817669 1283052021 /nfs/dbraw/zinc/05/20/21/1283052021.db2.gz PZWRMEPFZBGIAN-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL C[C@@H](CCCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589817669 1283052028 /nfs/dbraw/zinc/05/20/28/1283052028.db2.gz PZWRMEPFZBGIAN-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccc(-c2nnn[n-]2)c1 ZINC001589915292 1283126169 /nfs/dbraw/zinc/12/61/69/1283126169.db2.gz YNFYQTMVFWNEFH-BMLIUANNSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccc(-c2nn[n-]n2)c1 ZINC001589915292 1283126172 /nfs/dbraw/zinc/12/61/72/1283126172.db2.gz YNFYQTMVFWNEFH-BMLIUANNSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589972835 1283150584 /nfs/dbraw/zinc/15/05/84/1283150584.db2.gz ACDYBZSQFVLIEX-QMMMGPOBSA-N -2 3 362.371 0.933 20 0 FCADHL C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589972835 1283150589 /nfs/dbraw/zinc/15/05/89/1283150589.db2.gz ACDYBZSQFVLIEX-QMMMGPOBSA-N -2 3 362.371 0.933 20 0 FCADHL C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589997150 1283164987 /nfs/dbraw/zinc/16/49/87/1283164987.db2.gz RGDCBKNAPUBBBL-HZMBPMFUSA-N -2 3 374.401 0.333 20 0 FCADHL C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589997150 1283164991 /nfs/dbraw/zinc/16/49/91/1283164991.db2.gz RGDCBKNAPUBBBL-HZMBPMFUSA-N -2 3 374.401 0.333 20 0 FCADHL C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590016930 1283176728 /nfs/dbraw/zinc/17/67/28/1283176728.db2.gz OCETUFKUVRBBQV-VIFPVBQESA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590016930 1283176733 /nfs/dbraw/zinc/17/67/33/1283176733.db2.gz OCETUFKUVRBBQV-VIFPVBQESA-N -2 3 351.388 0.487 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2F)CCOC1 ZINC001590069421 1283199608 /nfs/dbraw/zinc/19/96/08/1283199608.db2.gz YTHNXXILXQZZTJ-AWEZNQCLSA-N -2 3 369.378 0.378 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001590069421 1283199611 /nfs/dbraw/zinc/19/96/11/1283199611.db2.gz YTHNXXILXQZZTJ-AWEZNQCLSA-N -2 3 369.378 0.378 20 0 FCADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001590087634 1283209315 /nfs/dbraw/zinc/20/93/15/1283209315.db2.gz VGJWAXAPAJLAJL-QGZVFWFLSA-N -2 3 371.401 0.411 20 0 FCADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001590087634 1283209323 /nfs/dbraw/zinc/20/93/23/1283209323.db2.gz VGJWAXAPAJLAJL-QGZVFWFLSA-N -2 3 371.401 0.411 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001590107047 1283217649 /nfs/dbraw/zinc/21/76/49/1283217649.db2.gz QASOIQIXWULOJY-JTQLQIEISA-N -2 3 355.351 0.490 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001590107047 1283217657 /nfs/dbraw/zinc/21/76/57/1283217657.db2.gz QASOIQIXWULOJY-JTQLQIEISA-N -2 3 355.351 0.490 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H]1C(=O)[O-] ZINC001590105805 1283218861 /nfs/dbraw/zinc/21/88/61/1283218861.db2.gz ABQUVFOHDFQRDU-JTQLQIEISA-N -2 3 373.341 0.629 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H]1C(=O)[O-] ZINC001590105805 1283218865 /nfs/dbraw/zinc/21/88/65/1283218865.db2.gz ABQUVFOHDFQRDU-JTQLQIEISA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590165828 1283258460 /nfs/dbraw/zinc/25/84/60/1283258460.db2.gz OXOIMLWNOSBXAO-CPCISQLKSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590165828 1283258466 /nfs/dbraw/zinc/25/84/66/1283258466.db2.gz OXOIMLWNOSBXAO-CPCISQLKSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)C1 ZINC001590186171 1283291799 /nfs/dbraw/zinc/29/17/99/1283291799.db2.gz SXUSSRUEPABPSP-IUCAKERBSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)C1 ZINC001590186171 1283291807 /nfs/dbraw/zinc/29/18/07/1283291807.db2.gz SXUSSRUEPABPSP-IUCAKERBSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC001590186061 1283291925 /nfs/dbraw/zinc/29/19/25/1283291925.db2.gz REGUEBYBTAWRQI-GXFFZTMASA-N -2 3 372.385 0.052 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590186061 1283291934 /nfs/dbraw/zinc/29/19/34/1283291934.db2.gz REGUEBYBTAWRQI-GXFFZTMASA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)C1 ZINC001590186172 1283291978 /nfs/dbraw/zinc/29/19/78/1283291978.db2.gz SXUSSRUEPABPSP-RKDXNWHRSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)C1 ZINC001590186172 1283291984 /nfs/dbraw/zinc/29/19/84/1283291984.db2.gz SXUSSRUEPABPSP-RKDXNWHRSA-N -2 3 366.403 0.061 20 0 FCADHL CCO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001604394923 1287632783 /nfs/dbraw/zinc/63/27/83/1287632783.db2.gz GTXCLJDZPCYRFI-ZDUSSCGKSA-N -2 3 365.415 0.628 20 0 FCADHL CCO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001604394923 1287632792 /nfs/dbraw/zinc/63/27/92/1287632792.db2.gz GTXCLJDZPCYRFI-ZDUSSCGKSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590225904 1283355041 /nfs/dbraw/zinc/35/50/41/1283355041.db2.gz GVCXBJCMJXYJGP-KOLCDFICSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590225904 1283355050 /nfs/dbraw/zinc/35/50/50/1283355050.db2.gz GVCXBJCMJXYJGP-KOLCDFICSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590246533 1283377275 /nfs/dbraw/zinc/37/72/75/1283377275.db2.gz CRELNWFCINTLNE-XLKFXECMSA-N -2 3 373.385 0.974 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001590260189 1283385470 /nfs/dbraw/zinc/38/54/70/1283385470.db2.gz DSAUAYDPCYAOMM-PELKAZGASA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001590260189 1283385474 /nfs/dbraw/zinc/38/54/74/1283385474.db2.gz DSAUAYDPCYAOMM-PELKAZGASA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001590274983 1283400690 /nfs/dbraw/zinc/40/06/90/1283400690.db2.gz UBBIASGYRWXTEP-KWQFWETISA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001590274983 1283400694 /nfs/dbraw/zinc/40/06/94/1283400694.db2.gz UBBIASGYRWXTEP-KWQFWETISA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C(=O)[O-])C1 ZINC001590275792 1283403468 /nfs/dbraw/zinc/40/34/68/1283403468.db2.gz GJMMGGFSXMMFAX-SFYZADRCSA-N -2 3 357.417 0.802 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@@H]1C(=O)[O-] ZINC001590276694 1283404576 /nfs/dbraw/zinc/40/45/76/1283404576.db2.gz PHGOAKXPDSJABT-HQJQHLMTSA-N -2 3 355.351 0.490 20 0 FCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001590414842 1283528979 /nfs/dbraw/zinc/52/89/79/1283528979.db2.gz AVENQSZMTDCPQX-VIFPVBQESA-N -2 3 352.420 0.791 20 0 FCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001590414842 1283528983 /nfs/dbraw/zinc/52/89/83/1283528983.db2.gz AVENQSZMTDCPQX-VIFPVBQESA-N -2 3 352.420 0.791 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590436317 1283536054 /nfs/dbraw/zinc/53/60/54/1283536054.db2.gz MVHDUIDDGMCILN-NSHDSACASA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590436317 1283536063 /nfs/dbraw/zinc/53/60/63/1283536063.db2.gz MVHDUIDDGMCILN-NSHDSACASA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC)CC(=O)[O-] ZINC001590446105 1283541925 /nfs/dbraw/zinc/54/19/25/1283541925.db2.gz GIFRVHXSKQSTRP-VIFPVBQESA-N -2 3 369.403 0.655 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC)CC(=O)[O-] ZINC001590446105 1283541929 /nfs/dbraw/zinc/54/19/29/1283541929.db2.gz GIFRVHXSKQSTRP-VIFPVBQESA-N -2 3 369.403 0.655 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001590489435 1283561844 /nfs/dbraw/zinc/56/18/44/1283561844.db2.gz PKCRNLYMUHVKDN-CQSZACIVSA-N -2 3 351.388 0.742 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001590489435 1283561855 /nfs/dbraw/zinc/56/18/55/1283561855.db2.gz PKCRNLYMUHVKDN-CQSZACIVSA-N -2 3 351.388 0.742 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590501152 1283569879 /nfs/dbraw/zinc/56/98/79/1283569879.db2.gz WQANHURLBDRXGY-OLZOCXBDSA-N -2 3 365.415 0.882 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590501152 1283569888 /nfs/dbraw/zinc/56/98/88/1283569888.db2.gz WQANHURLBDRXGY-OLZOCXBDSA-N -2 3 365.415 0.882 20 0 FCADHL CCC[C@H]1CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001590572985 1283617178 /nfs/dbraw/zinc/61/71/78/1283617178.db2.gz WBCYKZWITYUQCC-CABZTGNLSA-N -2 3 366.403 0.526 20 0 FCADHL CCC[C@H]1CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001590572985 1283617187 /nfs/dbraw/zinc/61/71/87/1283617187.db2.gz WBCYKZWITYUQCC-CABZTGNLSA-N -2 3 366.403 0.526 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590619734 1283656190 /nfs/dbraw/zinc/65/61/90/1283656190.db2.gz BATUUTUJXHDJQY-NSHDSACASA-N -2 3 366.447 0.748 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590619734 1283656207 /nfs/dbraw/zinc/65/62/07/1283656207.db2.gz BATUUTUJXHDJQY-NSHDSACASA-N -2 3 366.447 0.748 20 0 FCADHL CCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001590645304 1283697695 /nfs/dbraw/zinc/69/76/95/1283697695.db2.gz SYSOAZZGYCKKFO-UHFFFAOYSA-N -2 3 356.289 0.864 20 0 FCADHL CCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001590645304 1283697706 /nfs/dbraw/zinc/69/77/06/1283697706.db2.gz SYSOAZZGYCKKFO-UHFFFAOYSA-N -2 3 356.289 0.864 20 0 FCADHL CCCSC[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590652012 1283704289 /nfs/dbraw/zinc/70/42/89/1283704289.db2.gz RLENOEFQCPMUIQ-LLVKDONJSA-N -2 3 371.444 0.741 20 0 FCADHL CCCSC[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590652012 1283704296 /nfs/dbraw/zinc/70/42/96/1283704296.db2.gz RLENOEFQCPMUIQ-LLVKDONJSA-N -2 3 371.444 0.741 20 0 FCADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590677298 1283725411 /nfs/dbraw/zinc/72/54/11/1283725411.db2.gz WJPNDFFPQCVVBQ-JTQLQIEISA-N -2 3 353.404 0.882 20 0 FCADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590677298 1283725421 /nfs/dbraw/zinc/72/54/21/1283725421.db2.gz WJPNDFFPQCVVBQ-JTQLQIEISA-N -2 3 353.404 0.882 20 0 FCADHL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590790194 1283847229 /nfs/dbraw/zinc/84/72/29/1283847229.db2.gz JAXFTQHLSXOSKA-UWVGGRQHSA-N -2 3 367.387 0.105 20 0 FCADHL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590790194 1283847235 /nfs/dbraw/zinc/84/72/35/1283847235.db2.gz JAXFTQHLSXOSKA-UWVGGRQHSA-N -2 3 367.387 0.105 20 0 FCADHL CCc1ncncc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001604576127 1287671552 /nfs/dbraw/zinc/67/15/52/1287671552.db2.gz QAAXVRVMSLREFP-UHFFFAOYSA-N -2 3 373.398 0.479 20 0 FCADHL CCc1ncncc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001604576127 1287671555 /nfs/dbraw/zinc/67/15/55/1287671555.db2.gz QAAXVRVMSLREFP-UHFFFAOYSA-N -2 3 373.398 0.479 20 0 FCADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001590823381 1283904239 /nfs/dbraw/zinc/90/42/39/1283904239.db2.gz UVKMTDMPGUFSDG-KYZUINATSA-N -2 3 359.358 0.991 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001591296991 1284450614 /nfs/dbraw/zinc/45/06/14/1284450614.db2.gz WSONTBHRUMGYFI-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001591296991 1284450619 /nfs/dbraw/zinc/45/06/19/1284450619.db2.gz WSONTBHRUMGYFI-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ncsc1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccn1 ZINC001591307891 1284460563 /nfs/dbraw/zinc/46/05/63/1284460563.db2.gz JVKKZNUCWJENFL-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL COC(=O)c1ncsc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccn1 ZINC001591307891 1284460567 /nfs/dbraw/zinc/46/05/67/1284460567.db2.gz JVKKZNUCWJENFL-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(C)n1)[C@H]1CCOC1 ZINC001591332979 1284475855 /nfs/dbraw/zinc/47/58/55/1284475855.db2.gz GTCIUYKCMGUQFK-JQWIXIFHSA-N -2 3 368.419 0.363 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@@](C)(C(=O)[O-])C1 ZINC001591361565 1284497334 /nfs/dbraw/zinc/49/73/34/1284497334.db2.gz NKLUBEACGOGFLR-JMCQJSRRSA-N -2 3 373.416 0.181 20 0 FCADHL COCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591411755 1284557509 /nfs/dbraw/zinc/55/75/09/1284557509.db2.gz XRVQILDVRXPEHI-UHFFFAOYSA-N -2 3 353.404 0.629 20 0 FCADHL COCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591411755 1284557514 /nfs/dbraw/zinc/55/75/14/1284557514.db2.gz XRVQILDVRXPEHI-UHFFFAOYSA-N -2 3 353.404 0.629 20 0 FCADHL CO[N-]C(=O)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001591466444 1284637169 /nfs/dbraw/zinc/63/71/69/1284637169.db2.gz LVOSDSLCQGELLU-UHFFFAOYSA-N -2 3 369.341 0.461 20 0 FCADHL CO[N-]C(=O)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001591466444 1284637182 /nfs/dbraw/zinc/63/71/82/1284637182.db2.gz LVOSDSLCQGELLU-UHFFFAOYSA-N -2 3 369.341 0.461 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1[N-]S(=O)(=O)c1cc(C)cnc1N ZINC001591494042 1284671769 /nfs/dbraw/zinc/67/17/69/1284671769.db2.gz BVGDZUZBUOIMTM-UHFFFAOYSA-N -2 3 361.387 0.962 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591496213 1284674786 /nfs/dbraw/zinc/67/47/86/1284674786.db2.gz VLLQNXLTPBNGTJ-PHIMTYICSA-N -2 3 361.358 0.576 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591496213 1284674796 /nfs/dbraw/zinc/67/47/96/1284674796.db2.gz VLLQNXLTPBNGTJ-PHIMTYICSA-N -2 3 361.358 0.576 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)C1=COCCC1 ZINC001591505486 1284689064 /nfs/dbraw/zinc/68/90/64/1284689064.db2.gz IVLPHOBGYGOYSA-UHFFFAOYSA-N -2 3 365.371 0.375 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)C1=COCCC1 ZINC001591505486 1284689080 /nfs/dbraw/zinc/68/90/80/1284689080.db2.gz IVLPHOBGYGOYSA-UHFFFAOYSA-N -2 3 365.371 0.375 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001591505985 1284692898 /nfs/dbraw/zinc/69/28/98/1284692898.db2.gz MKFKLTKEZPVPHW-SNVBAGLBSA-N -2 3 367.387 0.503 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001591505985 1284692904 /nfs/dbraw/zinc/69/29/04/1284692904.db2.gz MKFKLTKEZPVPHW-SNVBAGLBSA-N -2 3 367.387 0.503 20 0 FCADHL COc1cccc(OC)c1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC001591644609 1284778849 /nfs/dbraw/zinc/77/88/49/1284778849.db2.gz LGINMOHICYPXAN-UHFFFAOYSA-N -2 3 365.375 0.418 20 0 FCADHL COc1cccc(OC)c1S(=O)(=O)[N-]c1c(-c2nnn[n-]2)cnn1C ZINC001591644973 1284779573 /nfs/dbraw/zinc/77/95/73/1284779573.db2.gz PXFXWQMJARZDMN-UHFFFAOYSA-N -2 3 365.375 0.418 20 0 FCADHL CS(=O)(=O)[N-]C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001591679008 1284817343 /nfs/dbraw/zinc/81/73/43/1284817343.db2.gz MXWUBCXHBBBZGA-UHFFFAOYSA-N -2 3 363.355 0.728 20 0 FCADHL CS(=O)(=O)[N-]C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001591679008 1284817355 /nfs/dbraw/zinc/81/73/55/1284817355.db2.gz MXWUBCXHBBBZGA-UHFFFAOYSA-N -2 3 363.355 0.728 20 0 FCADHL CSCCN(CC(=O)[O-])S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001591699357 1284838928 /nfs/dbraw/zinc/83/89/28/1284838928.db2.gz HJINQLYTDRWJSV-UHFFFAOYSA-N -2 3 372.432 0.008 20 0 FCADHL CSCCN(CC(=O)[O-])S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001591699357 1284838947 /nfs/dbraw/zinc/83/89/47/1284838947.db2.gz HJINQLYTDRWJSV-UHFFFAOYSA-N -2 3 372.432 0.008 20 0 FCADHL CSCCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001591700348 1284840539 /nfs/dbraw/zinc/84/05/39/1284840539.db2.gz WIZHHRFYHPRBNV-UHFFFAOYSA-N -2 3 371.444 0.613 20 0 FCADHL CSCCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001591700348 1284840550 /nfs/dbraw/zinc/84/05/50/1284840550.db2.gz WIZHHRFYHPRBNV-UHFFFAOYSA-N -2 3 371.444 0.613 20 0 FCADHL C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001591748863 1284874758 /nfs/dbraw/zinc/87/47/58/1284874758.db2.gz VPALAURCAWHVSU-ZYHUDNBSSA-N -2 3 366.385 0.617 20 0 FCADHL Cc1c(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1C ZINC001591830192 1284933476 /nfs/dbraw/zinc/93/34/76/1284933476.db2.gz FTLYYMXJZLDPDW-FPLPWBNLSA-N -2 3 373.398 0.427 20 0 FCADHL Cc1c(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1C ZINC001591830192 1284933486 /nfs/dbraw/zinc/93/34/86/1284933486.db2.gz FTLYYMXJZLDPDW-FPLPWBNLSA-N -2 3 373.398 0.427 20 0 FCADHL CN(CC(C)(C)C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001604712788 1287748382 /nfs/dbraw/zinc/74/83/82/1287748382.db2.gz MAMFCDWZCHNIQI-UHFFFAOYSA-N -2 3 371.394 0.878 20 0 FCADHL CN(CC(C)(C)C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001604712788 1287748388 /nfs/dbraw/zinc/74/83/88/1287748388.db2.gz MAMFCDWZCHNIQI-UHFFFAOYSA-N -2 3 371.394 0.878 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-] ZINC001591870811 1284956357 /nfs/dbraw/zinc/95/63/57/1284956357.db2.gz SYPCQCMOXXXICO-PSASIEDQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-] ZINC001591870811 1284956363 /nfs/dbraw/zinc/95/63/63/1284956363.db2.gz SYPCQCMOXXXICO-PSASIEDQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001591869935 1284956872 /nfs/dbraw/zinc/95/68/72/1284956872.db2.gz CYEDKVSQZMJUDC-NSHDSACASA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001591869935 1284956880 /nfs/dbraw/zinc/95/68/80/1284956880.db2.gz CYEDKVSQZMJUDC-NSHDSACASA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001591871946 1284960279 /nfs/dbraw/zinc/96/02/79/1284960279.db2.gz DEKWWIQEKUXSRB-LBPRGKRZSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001591871946 1284960287 /nfs/dbraw/zinc/96/02/87/1284960287.db2.gz DEKWWIQEKUXSRB-LBPRGKRZSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC001591882620 1284972558 /nfs/dbraw/zinc/97/25/58/1284972558.db2.gz VGURDBSSCYACPH-UHFFFAOYSA-N -2 3 366.337 0.684 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1-c1nnn[n-]1 ZINC001592064124 1285100941 /nfs/dbraw/zinc/10/09/41/1285100941.db2.gz TYNNCHCNKWGSFQ-CABZTGNLSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001592064124 1285100948 /nfs/dbraw/zinc/10/09/48/1285100948.db2.gz TYNNCHCNKWGSFQ-CABZTGNLSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@H]2C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592064209 1285101197 /nfs/dbraw/zinc/10/11/97/1285101197.db2.gz WBBMPDHZHDJSGN-GFCCVEGCSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@H]2C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592064209 1285101199 /nfs/dbraw/zinc/10/11/99/1285101199.db2.gz WBBMPDHZHDJSGN-GFCCVEGCSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2c(-c3nnn[n-]3)cnn2C)c(F)cc1F ZINC001592064240 1285103373 /nfs/dbraw/zinc/10/33/73/1285103373.db2.gz BKZDVJOFHLFCLU-UHFFFAOYSA-N -2 3 355.330 0.988 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC001592109159 1285143222 /nfs/dbraw/zinc/14/32/22/1285143222.db2.gz CYOKWZGZHOVLHR-GIPNMCIBSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC001592109159 1285143230 /nfs/dbraw/zinc/14/32/30/1285143230.db2.gz CYOKWZGZHOVLHR-GIPNMCIBSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C[C@H]1CCOC1 ZINC001592109201 1285144012 /nfs/dbraw/zinc/14/40/12/1285144012.db2.gz FUHDEZMYVTUANM-MZBZXASESA-N -2 3 363.399 0.573 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C[C@H]1CCOC1 ZINC001592109201 1285144017 /nfs/dbraw/zinc/14/40/17/1285144017.db2.gz FUHDEZMYVTUANM-MZBZXASESA-N -2 3 363.399 0.573 20 0 FCADHL Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)c(-c2nnn[n-]2)c1 ZINC001592192331 1285174840 /nfs/dbraw/zinc/17/48/40/1285174840.db2.gz MTFZWRRSJXFELB-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)c(-c2nn[n-]n2)c1 ZINC001592192331 1285174844 /nfs/dbraw/zinc/17/48/44/1285174844.db2.gz MTFZWRRSJXFELB-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccn2)cc1C(N)=O ZINC001592195458 1285178212 /nfs/dbraw/zinc/17/82/12/1285178212.db2.gz DDYISLUWJXPZQP-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccn2)cc1C(N)=O ZINC001592195458 1285178218 /nfs/dbraw/zinc/17/82/18/1285178218.db2.gz DDYISLUWJXPZQP-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-] ZINC001592214270 1285184162 /nfs/dbraw/zinc/18/41/62/1285184162.db2.gz PAKDVTSOFOZNNO-PSASIEDQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-] ZINC001592214270 1285184167 /nfs/dbraw/zinc/18/41/67/1285184167.db2.gz PAKDVTSOFOZNNO-PSASIEDQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c(C)o1 ZINC001592350015 1285265309 /nfs/dbraw/zinc/26/53/09/1285265309.db2.gz CYWGLFXGGVCBPF-UHFFFAOYSA-N -2 3 362.371 0.899 20 0 FCADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(C)o1 ZINC001592350015 1285265317 /nfs/dbraw/zinc/26/53/17/1285265317.db2.gz CYWGLFXGGVCBPF-UHFFFAOYSA-N -2 3 362.371 0.899 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001592377383 1285289153 /nfs/dbraw/zinc/28/91/53/1285289153.db2.gz NTKGHXSDEYLHLT-LDYMZIIASA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592377383 1285289161 /nfs/dbraw/zinc/28/91/61/1285289161.db2.gz NTKGHXSDEYLHLT-LDYMZIIASA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592405751 1285313428 /nfs/dbraw/zinc/31/34/28/1285313428.db2.gz MPQBJHDZIWCGMU-UHFFFAOYSA-N -2 3 354.355 0.725 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)cc1-c1nnn[n-]1 ZINC001592413680 1285332798 /nfs/dbraw/zinc/33/27/98/1285332798.db2.gz VNXQYYJTLFQHRI-SECBINFHSA-N -2 3 352.376 0.055 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001592413680 1285332809 /nfs/dbraw/zinc/33/28/09/1285332809.db2.gz VNXQYYJTLFQHRI-SECBINFHSA-N -2 3 352.376 0.055 20 0 FCADHL Cc1ncc(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)cc1-c1nnn[n-]1 ZINC001592414762 1285339368 /nfs/dbraw/zinc/33/93/68/1285339368.db2.gz XLKKFSCXYLWWMR-UHFFFAOYSA-N -2 3 366.403 0.493 20 0 FCADHL Cc1ncc(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)cc1-c1nn[n-]n1 ZINC001592414762 1285339376 /nfs/dbraw/zinc/33/93/76/1285339376.db2.gz XLKKFSCXYLWWMR-UHFFFAOYSA-N -2 3 366.403 0.493 20 0 FCADHL Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592429049 1285358792 /nfs/dbraw/zinc/35/87/92/1285358792.db2.gz SSXOWWSYVNGPEH-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592429049 1285358799 /nfs/dbraw/zinc/35/87/99/1285358799.db2.gz SSXOWWSYVNGPEH-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cn1nc(C(=O)[O-])cc1CN1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592593783 1285526457 /nfs/dbraw/zinc/52/64/57/1285526457.db2.gz LRKKGUIYODTGTF-UHFFFAOYSA-N -2 3 355.358 0.562 20 0 FCADHL Cn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC001592597552 1285532174 /nfs/dbraw/zinc/53/21/74/1285532174.db2.gz ILRWLEROTDMBFV-UHFFFAOYSA-N -2 3 361.343 0.071 20 0 FCADHL NC(=O)NCc1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001592731629 1285642604 /nfs/dbraw/zinc/64/26/04/1285642604.db2.gz JQRGRUDILJMGCV-UHFFFAOYSA-N -2 3 374.386 0.231 20 0 FCADHL NC(=O)NCc1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001592731629 1285642612 /nfs/dbraw/zinc/64/26/12/1285642612.db2.gz JQRGRUDILJMGCV-UHFFFAOYSA-N -2 3 374.386 0.231 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001592735960 1285649373 /nfs/dbraw/zinc/64/93/73/1285649373.db2.gz PDZDZFLCMUHLPR-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001592735960 1285649380 /nfs/dbraw/zinc/64/93/80/1285649380.db2.gz PDZDZFLCMUHLPR-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL O=C(CN1Cc2ccccc2C1=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592869675 1285776204 /nfs/dbraw/zinc/77/62/04/1285776204.db2.gz XQZSHKKKYIWVBL-UHFFFAOYSA-N -2 3 350.338 0.933 20 0 FCADHL O=C(CN1Cc2ccccc2C1=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592869675 1285776210 /nfs/dbraw/zinc/77/62/10/1285776210.db2.gz XQZSHKKKYIWVBL-UHFFFAOYSA-N -2 3 350.338 0.933 20 0 FCADHL O=C(COCc1cccnc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592886826 1285794409 /nfs/dbraw/zinc/79/44/09/1285794409.db2.gz IDEHVHMVRXMVQG-UHFFFAOYSA-N -2 3 374.382 0.283 20 0 FCADHL O=C(COCc1cccnc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592886826 1285794418 /nfs/dbraw/zinc/79/44/18/1285794418.db2.gz IDEHVHMVRXMVQG-UHFFFAOYSA-N -2 3 374.382 0.283 20 0 FCADHL O=C(NCC=CCNC(=O)c1ncccc1[O-])c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593049957 1285943659 /nfs/dbraw/zinc/94/36/59/1285943659.db2.gz AHDYBDUTWQKDBO-UPHRSURJSA-N -2 3 368.357 0.011 20 0 FCADHL O=C(NCC=CCNC(=O)c1ncccc1[O-])c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593049957 1285943663 /nfs/dbraw/zinc/94/36/63/1285943663.db2.gz AHDYBDUTWQKDBO-UPHRSURJSA-N -2 3 368.357 0.011 20 0 FCADHL CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609281667 1289043632 /nfs/dbraw/zinc/04/36/32/1289043632.db2.gz VXMJNJVHSCQCLO-UHFFFAOYSA-N -2 3 360.355 0.785 20 0 FCADHL CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609281667 1289043633 /nfs/dbraw/zinc/04/36/33/1289043633.db2.gz VXMJNJVHSCQCLO-UHFFFAOYSA-N -2 3 360.355 0.785 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CC1(F)F ZINC001593172721 1286026841 /nfs/dbraw/zinc/02/68/41/1286026841.db2.gz NYQIJDZVBAXDBC-MRVPVSSYSA-N -2 3 361.305 0.607 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CC1(F)F ZINC001593172721 1286026845 /nfs/dbraw/zinc/02/68/45/1286026845.db2.gz NYQIJDZVBAXDBC-MRVPVSSYSA-N -2 3 361.305 0.607 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593222861 1286045579 /nfs/dbraw/zinc/04/55/79/1286045579.db2.gz DYEAOHBKACEIKI-UHFFFAOYSA-N -3 3 365.313 0.506 20 0 FCADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(-c2nnn[n-]2)ccn1 ZINC001593223577 1286045921 /nfs/dbraw/zinc/04/59/21/1286045921.db2.gz MAWLHBZMCIESAG-UHFFFAOYSA-N -2 3 350.298 0.857 20 0 FCADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(-c2nn[n-]n2)ccn1 ZINC001593223577 1286045925 /nfs/dbraw/zinc/04/59/25/1286045925.db2.gz MAWLHBZMCIESAG-UHFFFAOYSA-N -2 3 350.298 0.857 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C1CCC1 ZINC001593275030 1286058127 /nfs/dbraw/zinc/05/81/27/1286058127.db2.gz CMPXTCNKPMGGFT-LBPRGKRZSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C1CCC1 ZINC001593275030 1286058131 /nfs/dbraw/zinc/05/81/31/1286058131.db2.gz CMPXTCNKPMGGFT-LBPRGKRZSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593275264 1286058438 /nfs/dbraw/zinc/05/84/38/1286058438.db2.gz VUJYPXGQRKAMJT-NSHDSACASA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593275264 1286058443 /nfs/dbraw/zinc/05/84/43/1286058443.db2.gz VUJYPXGQRKAMJT-NSHDSACASA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC12CCC2 ZINC001593275489 1286058767 /nfs/dbraw/zinc/05/87/67/1286058767.db2.gz CBFIFMGLKNXRBA-NSHDSACASA-N -2 3 367.362 0.634 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CCCC1 ZINC001593276629 1286059392 /nfs/dbraw/zinc/05/93/92/1286059392.db2.gz QPVNQYKJDBRVNN-UHFFFAOYSA-N -2 3 352.376 0.185 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CCCC1 ZINC001593276629 1286059397 /nfs/dbraw/zinc/05/93/97/1286059397.db2.gz QPVNQYKJDBRVNN-UHFFFAOYSA-N -2 3 352.376 0.185 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC001593276561 1286059523 /nfs/dbraw/zinc/05/95/23/1286059523.db2.gz NEKISBUSYQKOOV-LBPRGKRZSA-N -2 3 372.385 0.196 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC001593276561 1286059528 /nfs/dbraw/zinc/05/95/28/1286059528.db2.gz NEKISBUSYQKOOV-LBPRGKRZSA-N -2 3 372.385 0.196 20 0 FCADHL O=C([O-])C1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)CC=CC1 ZINC001593276048 1286059650 /nfs/dbraw/zinc/05/96/50/1286059650.db2.gz JHDBRYPJZGGBEF-UHFFFAOYSA-N -2 3 368.397 0.936 20 0 FCADHL O=C([O-])C(=O)N1CCN(Cc2cc(Cl)cc(-c3nnn[n-]3)c2)CC1 ZINC001593276410 1286059691 /nfs/dbraw/zinc/05/96/91/1286059691.db2.gz NBGJCOFTIWIGRM-UHFFFAOYSA-N -2 3 350.766 0.249 20 0 FCADHL O=C([O-])C(=O)N1CCN(Cc2cc(Cl)cc(-c3nn[n-]n3)c2)CC1 ZINC001593276410 1286059692 /nfs/dbraw/zinc/05/96/92/1286059692.db2.gz NBGJCOFTIWIGRM-UHFFFAOYSA-N -2 3 350.766 0.249 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC12CCC2 ZINC001593275627 1286059696 /nfs/dbraw/zinc/05/96/96/1286059696.db2.gz DGTYYWHBRWEYCR-LBPRGKRZSA-N -2 3 363.399 0.636 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC001593275627 1286059698 /nfs/dbraw/zinc/05/96/98/1286059698.db2.gz DGTYYWHBRWEYCR-LBPRGKRZSA-N -2 3 363.399 0.636 20 0 FCADHL O=C([O-])C[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC001593277206 1286060156 /nfs/dbraw/zinc/06/01/56/1286060156.db2.gz UITMSIKKBLYAQY-GFCCVEGCSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])[C@@H](CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001593276849 1286060585 /nfs/dbraw/zinc/06/05/85/1286060585.db2.gz VDVGGBSIKMIBRM-NSHDSACASA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])[C@@H](CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001593276849 1286060589 /nfs/dbraw/zinc/06/05/89/1286060589.db2.gz VDVGGBSIKMIBRM-NSHDSACASA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])C1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CCC1 ZINC001593276972 1286060819 /nfs/dbraw/zinc/06/08/19/1286060819.db2.gz WCLRCVVEBSFKSF-UHFFFAOYSA-N -2 3 357.374 0.165 20 0 FCADHL O=C([O-])C1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCC1 ZINC001593276972 1286060821 /nfs/dbraw/zinc/06/08/21/1286060821.db2.gz WCLRCVVEBSFKSF-UHFFFAOYSA-N -2 3 357.374 0.165 20 0 FCADHL O=C([O-])C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001593278205 1286060825 /nfs/dbraw/zinc/06/08/25/1286060825.db2.gz VERIUVOGPQNDED-SNVBAGLBSA-N -2 3 351.388 0.493 20 0 FCADHL O=C([O-])C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001593278205 1286060828 /nfs/dbraw/zinc/06/08/28/1286060828.db2.gz VERIUVOGPQNDED-SNVBAGLBSA-N -2 3 351.388 0.493 20 0 FCADHL O=C([O-])CCCC(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001593277713 1286060883 /nfs/dbraw/zinc/06/08/83/1286060883.db2.gz FOSYPRUTQOQNNU-UHFFFAOYSA-N -2 3 362.365 0.909 20 0 FCADHL O=C([O-])CCCC(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001593277713 1286060884 /nfs/dbraw/zinc/06/08/84/1286060884.db2.gz FOSYPRUTQOQNNU-UHFFFAOYSA-N -2 3 362.365 0.909 20 0 FCADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1F ZINC001593279166 1286061675 /nfs/dbraw/zinc/06/16/75/1286061675.db2.gz UWGFZAXPRUVYKD-UHFFFAOYSA-N -3 3 364.318 0.900 20 0 FCADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1F ZINC001593279166 1286061679 /nfs/dbraw/zinc/06/16/79/1286061679.db2.gz UWGFZAXPRUVYKD-UHFFFAOYSA-N -3 3 364.318 0.900 20 0 FCADHL O=C([O-])CN(CC1CC1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001593278445 1286062056 /nfs/dbraw/zinc/06/20/56/1286062056.db2.gz FVDBRIICQMOBDC-UHFFFAOYSA-N -2 3 351.388 0.493 20 0 FCADHL O=C([O-])CN(CC1CC1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001593278445 1286062058 /nfs/dbraw/zinc/06/20/58/1286062058.db2.gz FVDBRIICQMOBDC-UHFFFAOYSA-N -2 3 351.388 0.493 20 0 FCADHL O=C([O-])CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccco1 ZINC001593278650 1286062070 /nfs/dbraw/zinc/06/20/70/1286062070.db2.gz RNBHPGWESCIVEN-UHFFFAOYSA-N -2 3 363.355 0.735 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001593278698 1286062100 /nfs/dbraw/zinc/06/21/00/1286062100.db2.gz UODSXMPYPJNMIE-UHFFFAOYSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001593278698 1286062101 /nfs/dbraw/zinc/06/21/01/1286062101.db2.gz UODSXMPYPJNMIE-UHFFFAOYSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001593279608 1286063107 /nfs/dbraw/zinc/06/31/07/1286063107.db2.gz TYZYECTYABBPAE-PSASIEDQSA-N -2 3 369.378 0.785 20 0 FCADHL O=S(=O)([N-][C@H](CO)CC1CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593429682 1286152374 /nfs/dbraw/zinc/15/23/74/1286152374.db2.gz ATWDQYRELGURCY-JTQLQIEISA-N -2 3 373.385 0.974 20 0 FCADHL O=S(=O)([N-]C[C@@H]1CC[C@H](O)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593436881 1286157906 /nfs/dbraw/zinc/15/79/06/1286157906.db2.gz CQVLWQNJOQDVDC-APPZFPTMSA-N -2 3 359.358 0.584 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)c1ccc2c(c1)CCO2 ZINC001598711425 1286398499 /nfs/dbraw/zinc/39/84/99/1286398499.db2.gz YFDXYPPPLXKPDF-CYBMUJFWSA-N -2 3 369.395 0.620 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599900279 1286417176 /nfs/dbraw/zinc/41/71/76/1286417176.db2.gz HMRKIUGOICEVIQ-BQBZGAKWSA-N -2 3 352.771 0.735 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2)n1 ZINC001600065743 1286435144 /nfs/dbraw/zinc/43/51/44/1286435144.db2.gz YYOPOJXQNNARFV-UHFFFAOYSA-N -2 3 367.387 0.028 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCN(S(=O)(=O)CCCCCC(=O)[O-])CC2)n1 ZINC001600064940 1286435280 /nfs/dbraw/zinc/43/52/80/1286435280.db2.gz JWRRQIXVKPYORB-UHFFFAOYSA-N -2 3 372.447 0.587 20 0 FCADHL Cc1cc(N2CCC([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)n[nH]1 ZINC001600238672 1286457876 /nfs/dbraw/zinc/45/78/76/1286457876.db2.gz GDXRWHIQBQTENB-UHFFFAOYSA-N -2 3 354.388 0.957 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CC2(OCCO)CCOCC2)oc1C(=O)[O-] ZINC001600299822 1286472492 /nfs/dbraw/zinc/47/24/92/1286472492.db2.gz UVFVDMSSYSAIFP-UHFFFAOYSA-N -2 3 363.388 0.123 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CC[S@](=O)CC(F)(F)F)oc1C(=O)[O-] ZINC001600299702 1286472726 /nfs/dbraw/zinc/47/27/26/1286472726.db2.gz GAEHBJHAXCJQPQ-NRFANRHFSA-N -2 3 363.335 0.876 20 0 FCADHL Cc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[n-]c2=O)c(C)c1 ZINC001600437997 1286485784 /nfs/dbraw/zinc/48/57/84/1286485784.db2.gz DKYANXGRQGRBIC-SNVBAGLBSA-N -3 3 351.359 0.923 20 0 FCADHL Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001600522265 1286501659 /nfs/dbraw/zinc/50/16/59/1286501659.db2.gz NSOZFMHMLMXBIK-UHFFFAOYSA-N -2 3 352.372 0.642 20 0 FCADHL Cc1cccnc1NC(=O)CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001600593260 1286510668 /nfs/dbraw/zinc/51/06/68/1286510668.db2.gz JFKUJCJKMSLNHL-UHFFFAOYSA-N -2 3 353.356 0.988 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2N2CCOCC2)c1C(=O)[O-] ZINC001600672465 1286522381 /nfs/dbraw/zinc/52/23/81/1286522381.db2.gz CHVXXEMWIGIJSK-VXGBXAGGSA-N -2 3 372.447 0.338 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](O)Cc2cccc(F)c2)c1C(=O)[O-] ZINC001600672273 1286522736 /nfs/dbraw/zinc/52/27/36/1286522736.db2.gz BNYOSICVFFWOAK-LLVKDONJSA-N -2 3 357.363 0.437 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)c1C(=O)[O-] ZINC001600672901 1286523802 /nfs/dbraw/zinc/52/38/02/1286523802.db2.gz KLPNAONTQVSXHF-SECBINFHSA-N -2 3 361.326 0.706 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2ccnc(OC(F)F)c2)c1C(=O)[O-] ZINC001600673544 1286524852 /nfs/dbraw/zinc/52/48/52/1286524852.db2.gz JDUZMZNFIDPIDT-UHFFFAOYSA-N -2 3 362.314 0.891 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2Cc3ccccc3NC2=O)c1C(=O)[O-] ZINC001600673851 1286525175 /nfs/dbraw/zinc/52/51/75/1286525175.db2.gz WEVVFWBXBLVYHB-JTQLQIEISA-N -2 3 350.356 0.258 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC2(C(=O)N(C)C)CCCC2)c1C(=O)[O-] ZINC001600673693 1286525243 /nfs/dbraw/zinc/52/52/43/1286525243.db2.gz UJVWXMNVJULXHQ-UHFFFAOYSA-N -2 3 358.420 0.343 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C2CC2)[C@]2(CO)CCCO2)c1C(=O)[O-] ZINC001600673456 1286525299 /nfs/dbraw/zinc/52/52/99/1286525299.db2.gz QTUPNPUEIVFCTN-SMDDNHRTSA-N -2 3 359.404 0.015 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCCN2CC(F)F)c1C(=O)[O-] ZINC001600674260 1286526042 /nfs/dbraw/zinc/52/60/42/1286526042.db2.gz RMDOHZCQPNGWED-MRVPVSSYSA-N -2 3 352.363 0.424 20 0 FCADHL Cc1nc(C)c(CCC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c(=O)[n-]1 ZINC001600691395 1286527482 /nfs/dbraw/zinc/52/74/82/1286527482.db2.gz HRPDUKWFAXEYDV-NSHDSACASA-N -2 3 360.374 0.495 20 0 FCADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)sc1C(N)=O ZINC001600701736 1286529539 /nfs/dbraw/zinc/52/95/39/1286529539.db2.gz LTOKDUIAVYNELC-UHFFFAOYSA-N -2 3 361.426 0.789 20 0 FCADHL CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609309062 1289081071 /nfs/dbraw/zinc/08/10/71/1289081071.db2.gz JPTYIYKSHOBFEF-ZDUSSCGKSA-N -2 3 367.431 0.874 20 0 FCADHL CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609309062 1289081075 /nfs/dbraw/zinc/08/10/75/1289081075.db2.gz JPTYIYKSHOBFEF-ZDUSSCGKSA-N -2 3 367.431 0.874 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600733049 1286534123 /nfs/dbraw/zinc/53/41/23/1286534123.db2.gz JXNRZIUNXOOZQQ-NSHDSACASA-N -2 3 360.374 0.577 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600733048 1286534240 /nfs/dbraw/zinc/53/42/40/1286534240.db2.gz JXNRZIUNXOOZQQ-LLVKDONJSA-N -2 3 360.374 0.577 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2COC3(CCOCC3)O2)cc1C(=O)[O-] ZINC001600858003 1286559283 /nfs/dbraw/zinc/55/92/83/1286559283.db2.gz QHNAHMQAOVTPKJ-JTQLQIEISA-N -2 3 361.372 0.487 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1C(=O)[O-] ZINC001600856923 1286559314 /nfs/dbraw/zinc/55/93/14/1286559314.db2.gz BTLRPCKGWBDRIX-GXSJLCMTSA-N -2 3 360.388 0.200 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H](CC2CC2)C(=O)[O-])c(Br)n1 ZINC001600967657 1286584345 /nfs/dbraw/zinc/58/43/45/1286584345.db2.gz DEYFYZPPJCJPFB-SSDOTTSWSA-N -2 3 352.210 0.714 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609317218 1289089582 /nfs/dbraw/zinc/08/95/82/1289089582.db2.gz DGCLCYAAEDIVNR-ZETCQYMHSA-N -2 3 359.795 0.615 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609317218 1289089586 /nfs/dbraw/zinc/08/95/86/1289089586.db2.gz DGCLCYAAEDIVNR-ZETCQYMHSA-N -2 3 359.795 0.615 20 0 FCADHL NC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])c1ccccn1 ZINC001601139979 1286647151 /nfs/dbraw/zinc/64/71/51/1286647151.db2.gz PJRYCIVARLYQFM-GFCCVEGCSA-N -2 3 369.786 0.938 20 0 FCADHL NC(=O)C1([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1 ZINC001601140328 1286647710 /nfs/dbraw/zinc/64/77/10/1286647710.db2.gz CCRMDXWPVSTEHA-UHFFFAOYSA-N -2 3 369.218 0.505 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCC(=O)NCc1ccccc1 ZINC001601278886 1286710795 /nfs/dbraw/zinc/71/07/95/1286710795.db2.gz NZUCBMRZDWUTJB-UHFFFAOYSA-N -2 3 352.368 0.963 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCCNC(=O)c1ccc(F)cc1 ZINC001601499327 1286767871 /nfs/dbraw/zinc/76/78/71/1286767871.db2.gz LLLSYNNGYYJBOT-UHFFFAOYSA-N -2 3 370.362 0.345 20 0 FCADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccn1 ZINC001601908583 1286866123 /nfs/dbraw/zinc/86/61/23/1286866123.db2.gz HOBXEHYYGQVABA-MRVPVSSYSA-N -3 3 357.369 0.731 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC001609339298 1289108478 /nfs/dbraw/zinc/10/84/78/1289108478.db2.gz MTXQOEFPXLUKTB-UHFFFAOYSA-N -2 3 367.387 0.551 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC001609339298 1289108481 /nfs/dbraw/zinc/10/84/81/1289108481.db2.gz MTXQOEFPXLUKTB-UHFFFAOYSA-N -2 3 367.387 0.551 20 0 FCADHL O=C([O-])CN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC001602061519 1286915909 /nfs/dbraw/zinc/91/59/09/1286915909.db2.gz QGUZRWNTMYZCPO-UHFFFAOYSA-N -2 3 360.363 0.351 20 0 FCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2OC)ncn1 ZINC001609346889 1289113146 /nfs/dbraw/zinc/11/31/46/1289113146.db2.gz VCAXOZNRNXZRCL-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2OC)ncn1 ZINC001609346889 1289113152 /nfs/dbraw/zinc/11/31/52/1289113152.db2.gz VCAXOZNRNXZRCL-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(C3CC3)C2)c1F ZINC001602228987 1286971858 /nfs/dbraw/zinc/97/18/58/1286971858.db2.gz XOWNETOSCMHFCV-QMMMGPOBSA-N -2 3 374.365 0.952 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](CO)[C@H]2CCOC2)c1F ZINC001602225593 1286972014 /nfs/dbraw/zinc/97/20/14/1286972014.db2.gz DPGYXKOBSYZMQR-IUCAKERBSA-N -2 3 365.354 0.586 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)c1F ZINC001602229151 1286972955 /nfs/dbraw/zinc/97/29/55/1286972955.db2.gz YFJGIABPBZLTDI-CQSZACIVSA-N -2 3 365.354 0.730 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2COCCOC2)c(F)cc1Cl ZINC001602293158 1286983560 /nfs/dbraw/zinc/98/35/60/1286983560.db2.gz IUINWXWMLMKONM-UHFFFAOYSA-N -2 3 353.755 0.871 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCCN(CC(F)(F)F)C1=O ZINC001602488084 1287010251 /nfs/dbraw/zinc/01/02/51/1287010251.db2.gz BZDDRPQDOFXYJW-QMMMGPOBSA-N -2 3 370.305 0.809 20 0 FCADHL O=C([O-])c1cnc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnc[n-]c2=O)C3)nc1 ZINC001602528541 1287022154 /nfs/dbraw/zinc/02/21/54/1287022154.db2.gz STMWUSFEWQXAOX-USWWRNFRSA-N -2 3 356.342 0.210 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H](O)COc2cccc(F)c2)c1 ZINC001602557224 1287025663 /nfs/dbraw/zinc/02/56/63/1287025663.db2.gz SVYVVIZIYRYBRK-NSHDSACASA-N -2 3 359.331 0.835 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1F ZINC001602583150 1287030743 /nfs/dbraw/zinc/03/07/43/1287030743.db2.gz QOARKALEGBYWTR-VIFPVBQESA-N -2 3 360.388 0.862 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H](CO)CC1CCOCC1 ZINC001602582695 1287031323 /nfs/dbraw/zinc/03/13/23/1287031323.db2.gz HWMBMOFHEBSSPW-SNVBAGLBSA-N -2 3 364.445 0.545 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccn2)C1 ZINC001602589315 1287033997 /nfs/dbraw/zinc/03/39/97/1287033997.db2.gz YVNFJTHWABYDQK-SECBINFHSA-N -2 3 354.413 0.794 20 0 FCADHL CC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001602914095 1287156678 /nfs/dbraw/zinc/15/66/78/1287156678.db2.gz CRQKXTNFLJPXBL-VIFPVBQESA-N -2 3 373.778 0.231 20 0 FCADHL CC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001602914095 1287156682 /nfs/dbraw/zinc/15/66/82/1287156682.db2.gz CRQKXTNFLJPXBL-VIFPVBQESA-N -2 3 373.778 0.231 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC001609389270 1289133331 /nfs/dbraw/zinc/13/33/31/1289133331.db2.gz YLMMSEXOURXAKC-UFBFGSQYSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC001609389270 1289133333 /nfs/dbraw/zinc/13/33/33/1289133333.db2.gz YLMMSEXOURXAKC-UFBFGSQYSA-N -2 3 351.388 0.659 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@](C)(C(=O)[O-])C1 ZINC001605035625 1287844661 /nfs/dbraw/zinc/84/46/61/1287844661.db2.gz AQDJOSLSPBFODS-HZMBPMFUSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@](C)(C(=O)[O-])C1 ZINC001605035625 1287844669 /nfs/dbraw/zinc/84/46/69/1287844669.db2.gz AQDJOSLSPBFODS-HZMBPMFUSA-N -2 3 367.387 0.119 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001605045096 1287852711 /nfs/dbraw/zinc/85/27/11/1287852711.db2.gz VYZGECYMZBOWIC-WEVVVXLNSA-N -2 3 369.378 0.545 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001605045096 1287852714 /nfs/dbraw/zinc/85/27/14/1287852714.db2.gz VYZGECYMZBOWIC-WEVVVXLNSA-N -2 3 369.378 0.545 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001605052405 1287856853 /nfs/dbraw/zinc/85/68/53/1287856853.db2.gz ZCODGEXEVJBUTH-SECBINFHSA-N -2 3 369.403 0.353 20 0 FCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001605052405 1287856854 /nfs/dbraw/zinc/85/68/54/1287856854.db2.gz ZCODGEXEVJBUTH-SECBINFHSA-N -2 3 369.403 0.353 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001609414951 1289142474 /nfs/dbraw/zinc/14/24/74/1289142474.db2.gz SYBKHARFHLBPSV-NSHDSACASA-N -2 3 372.385 0.827 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001609414951 1289142478 /nfs/dbraw/zinc/14/24/78/1289142478.db2.gz SYBKHARFHLBPSV-NSHDSACASA-N -2 3 372.385 0.827 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCCC(N)=O ZINC001609416720 1289143491 /nfs/dbraw/zinc/14/34/91/1289143491.db2.gz HKGXCUKHCCWTRE-UHFFFAOYSA-N -2 3 366.403 0.026 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCCC(N)=O ZINC001609416720 1289143493 /nfs/dbraw/zinc/14/34/93/1289143493.db2.gz HKGXCUKHCCWTRE-UHFFFAOYSA-N -2 3 366.403 0.026 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001609422407 1289145157 /nfs/dbraw/zinc/14/51/57/1289145157.db2.gz UOHJGZROCNEPFJ-UHFFFAOYSA-N -2 3 358.383 0.618 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001609422407 1289145158 /nfs/dbraw/zinc/14/51/58/1289145158.db2.gz UOHJGZROCNEPFJ-UHFFFAOYSA-N -2 3 358.383 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1[O-] ZINC001605566806 1288007480 /nfs/dbraw/zinc/00/74/80/1288007480.db2.gz GJDKBKWYAPKOJC-JGVFFNPUSA-N -2 3 372.393 0.321 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1[O-] ZINC001605566806 1288007482 /nfs/dbraw/zinc/00/74/82/1288007482.db2.gz GJDKBKWYAPKOJC-JGVFFNPUSA-N -2 3 372.393 0.321 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)c1-c1nnn[n-]1 ZINC001609432671 1289148512 /nfs/dbraw/zinc/14/85/12/1289148512.db2.gz HAUGCHLGZORNFZ-UHFFFAOYSA-N -2 3 372.385 0.827 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)c1-c1nn[n-]n1 ZINC001609432671 1289148515 /nfs/dbraw/zinc/14/85/15/1289148515.db2.gz HAUGCHLGZORNFZ-UHFFFAOYSA-N -2 3 372.385 0.827 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)ccc1F ZINC001605622027 1288039942 /nfs/dbraw/zinc/03/99/42/1288039942.db2.gz WACJHTTZGLPWHU-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)ccc1F ZINC001605622027 1288039946 /nfs/dbraw/zinc/03/99/46/1288039946.db2.gz WACJHTTZGLPWHU-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001605801946 1288090429 /nfs/dbraw/zinc/09/04/29/1288090429.db2.gz NTDLELDVJOXNDO-ABAIWWIYSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1nc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1C(=O)[O-] ZINC001609450434 1289158357 /nfs/dbraw/zinc/15/83/57/1289158357.db2.gz PJVIKRNJBHWBPN-UHFFFAOYSA-N -2 3 374.382 0.747 20 0 FCADHL Cc1nc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1C(=O)[O-] ZINC001609450434 1289158360 /nfs/dbraw/zinc/15/83/60/1289158360.db2.gz PJVIKRNJBHWBPN-UHFFFAOYSA-N -2 3 374.382 0.747 20 0 FCADHL Cc1nn(CCC(=O)c2ccc([O-])cc2O)c(=O)c(-c2nnn[n-]2)c1C ZINC001606114290 1288170347 /nfs/dbraw/zinc/17/03/47/1288170347.db2.gz IJSAAUXESWELKP-UHFFFAOYSA-N -2 3 356.342 0.724 20 0 FCADHL Cc1nn(CCC(=O)c2ccc([O-])cc2O)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114290 1288170349 /nfs/dbraw/zinc/17/03/49/1288170349.db2.gz IJSAAUXESWELKP-UHFFFAOYSA-N -2 3 356.342 0.724 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]C(=O)c2ncc(-c3nnn[n-]3)cc2C)s1 ZINC001609456182 1289160631 /nfs/dbraw/zinc/16/06/31/1289160631.db2.gz FGRZBFXESLUZDQ-UHFFFAOYSA-N -2 3 365.400 0.454 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]C(=O)c2ncc(-c3nn[n-]n3)cc2C)s1 ZINC001609456182 1289160634 /nfs/dbraw/zinc/16/06/34/1289160634.db2.gz FGRZBFXESLUZDQ-UHFFFAOYSA-N -2 3 365.400 0.454 20 0 FCADHL Cn1ccc(S(=O)(=O)[N-]c2sc3c(c2-c2nnn[n-]2)CCC3)n1 ZINC001606253966 1288238179 /nfs/dbraw/zinc/23/81/79/1288238179.db2.gz OKFSDAZIBXOHDM-UHFFFAOYSA-N -2 3 351.417 0.951 20 0 FCADHL Cn1ccc(S(=O)(=O)[N-]c2sc3c(c2-c2nn[n-]n2)CCC3)n1 ZINC001606253966 1288238182 /nfs/dbraw/zinc/23/81/82/1288238182.db2.gz OKFSDAZIBXOHDM-UHFFFAOYSA-N -2 3 351.417 0.951 20 0 FCADHL CNC(=O)c1n[n-]nc1NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001606292902 1288256882 /nfs/dbraw/zinc/25/68/82/1288256882.db2.gz ZMMVNPGSIZHDBL-INIZCTEOSA-N -2 3 358.358 0.425 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)ccc1F ZINC001606303520 1288260065 /nfs/dbraw/zinc/26/00/65/1288260065.db2.gz HRPQTDRJWUYZPH-ZDUSSCGKSA-N -2 3 367.358 0.685 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccc1F ZINC001606303760 1288260276 /nfs/dbraw/zinc/26/02/76/1288260276.db2.gz WIHPEVYMQFGKJU-KCJUWKMLSA-N -2 3 360.363 0.048 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCSCC1 ZINC001606354767 1288270604 /nfs/dbraw/zinc/27/06/04/1288270604.db2.gz UWGLVUSZIFYSGW-UHFFFAOYSA-N -2 3 363.417 0.133 20 0 FCADHL COC(=O)[C@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC001606420589 1288304161 /nfs/dbraw/zinc/30/41/61/1288304161.db2.gz JCURCKFCUCLOJW-RYUDHWBXSA-N -2 3 350.327 0.296 20 0 FCADHL NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)ccc1F ZINC001606427426 1288308673 /nfs/dbraw/zinc/30/86/73/1288308673.db2.gz KRDOEQXQRDMXAH-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)OC ZINC001606460883 1288329108 /nfs/dbraw/zinc/32/91/08/1288329108.db2.gz WPACBEWJIPGEDJ-GFCCVEGCSA-N -2 3 373.383 0.299 20 0 FCADHL O=C(CCc1cscn1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001606536076 1288369777 /nfs/dbraw/zinc/36/97/77/1288369777.db2.gz VLXNINFVUJIUBS-UHFFFAOYSA-N -2 3 365.400 0.156 20 0 FCADHL O=C(CCc1cscn1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001606536076 1288369784 /nfs/dbraw/zinc/36/97/84/1288369784.db2.gz VLXNINFVUJIUBS-UHFFFAOYSA-N -2 3 365.400 0.156 20 0 FCADHL O=C(COC1CCCC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001606562622 1288387029 /nfs/dbraw/zinc/38/70/29/1288387029.db2.gz JIMXYRXRYHQNNH-UHFFFAOYSA-N -2 3 351.388 0.631 20 0 FCADHL O=C(COC1CCCC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001606562622 1288387031 /nfs/dbraw/zinc/38/70/31/1288387031.db2.gz JIMXYRXRYHQNNH-UHFFFAOYSA-N -2 3 351.388 0.631 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccn(C)n2)oc1C ZINC001606564863 1288388062 /nfs/dbraw/zinc/38/80/62/1288388062.db2.gz PKQUATGSIVYQIR-NSHDSACASA-N -2 3 357.344 0.212 20 0 FCADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](CF)C(=O)OC ZINC001606638208 1288420221 /nfs/dbraw/zinc/42/02/21/1288420221.db2.gz OWYBDTUNINOECQ-RXMQYKEDSA-N -2 3 369.348 0.022 20 0 FCADHL CO[C@@H]1CCC[C@@H]([C@H](CO)[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001606737828 1288477390 /nfs/dbraw/zinc/47/73/90/1288477390.db2.gz LUFDCKHROYRIGT-MXWKQRLJSA-N -2 3 361.420 0.261 20 0 FCADHL O=C([N-]CC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001606742023 1288480988 /nfs/dbraw/zinc/48/09/88/1288480988.db2.gz LJAFLISVGFDSGG-UHFFFAOYSA-N -2 3 356.312 0.552 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001606957689 1288574333 /nfs/dbraw/zinc/57/43/33/1288574333.db2.gz HVRNNBTXYYNDOH-PSASIEDQSA-N -2 3 369.378 0.785 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001606957689 1288574334 /nfs/dbraw/zinc/57/43/34/1288574334.db2.gz HVRNNBTXYYNDOH-PSASIEDQSA-N -2 3 369.378 0.785 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC(Oc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001606958382 1288574512 /nfs/dbraw/zinc/57/45/12/1288574512.db2.gz SUMCCWDGWYVVGJ-NEPJUHHUSA-N -2 3 372.385 0.893 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606958008 1288574593 /nfs/dbraw/zinc/57/45/93/1288574593.db2.gz NTESOBJCDLONSQ-ZYHUDNBSSA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606958008 1288574595 /nfs/dbraw/zinc/57/45/95/1288574595.db2.gz NTESOBJCDLONSQ-ZYHUDNBSSA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])CCNS(=O)(=O)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001606958071 1288574628 /nfs/dbraw/zinc/57/46/28/1288574628.db2.gz PVSGMFHXNKGEBT-UHFFFAOYSA-N -2 3 365.293 0.639 20 0 FCADHL O=C([O-])CCNS(=O)(=O)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001606958071 1288574630 /nfs/dbraw/zinc/57/46/30/1288574630.db2.gz PVSGMFHXNKGEBT-UHFFFAOYSA-N -2 3 365.293 0.639 20 0 FCADHL O=C([O-])c1cccnc1N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001606963077 1288577590 /nfs/dbraw/zinc/57/75/90/1288577590.db2.gz RYAVLCIDPAZWSZ-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])c1cccnc1N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001606963077 1288577593 /nfs/dbraw/zinc/57/75/93/1288577593.db2.gz RYAVLCIDPAZWSZ-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])C[C@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001606961773 1288577628 /nfs/dbraw/zinc/57/76/28/1288577628.db2.gz XXVMQIRMOOTOCP-MRVPVSSYSA-N -2 3 373.341 0.773 20 0 FCADHL O=C([O-])C[C@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001606961773 1288577630 /nfs/dbraw/zinc/57/76/30/1288577630.db2.gz XXVMQIRMOOTOCP-MRVPVSSYSA-N -2 3 373.341 0.773 20 0 FCADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001606962410 1288578243 /nfs/dbraw/zinc/57/82/43/1288578243.db2.gz UUGJBVCERXDUTL-UHFFFAOYSA-N -3 3 364.318 0.900 20 0 FCADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001606962410 1288578247 /nfs/dbraw/zinc/57/82/47/1288578247.db2.gz UUGJBVCERXDUTL-UHFFFAOYSA-N -3 3 364.318 0.900 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ccccc2)n1)c1cncc(-c2nnn[n-]2)c1 ZINC001607070316 1288642374 /nfs/dbraw/zinc/64/23/74/1288642374.db2.gz WHBJXUSPYWPTKC-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ccccc2)n1)c1cncc(-c2nn[n-]n2)c1 ZINC001607070316 1288642380 /nfs/dbraw/zinc/64/23/80/1288642380.db2.gz WHBJXUSPYWPTKC-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001607338491 1288699104 /nfs/dbraw/zinc/69/91/04/1288699104.db2.gz KVTQPYMWVFNCSQ-SECBINFHSA-N -2 3 358.397 0.862 20 0 FCADHL Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1C ZINC001607773384 1288738083 /nfs/dbraw/zinc/73/80/83/1288738083.db2.gz LGGVKBVCDWMPIR-LBPRGKRZSA-N -2 3 353.400 0.607 20 0 FCADHL Cn1nccc1[C@@H]1C[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])CCO1 ZINC001608162146 1288784406 /nfs/dbraw/zinc/78/44/06/1288784406.db2.gz GCVPRVNPTNCUPM-CABZTGNLSA-N -2 3 355.372 0.910 20 0 FCADHL Cn1nccc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC001608162767 1288784494 /nfs/dbraw/zinc/78/44/94/1288784494.db2.gz MCISXVYMDCIFCY-GZMMTYOYSA-N -2 3 355.376 0.040 20 0 FCADHL Cn1nccc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])CCO1 ZINC001608162148 1288784731 /nfs/dbraw/zinc/78/47/31/1288784731.db2.gz GCVPRVNPTNCUPM-JOYOIKCWSA-N -2 3 355.372 0.910 20 0 FCADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccn1 ZINC001608228077 1288794103 /nfs/dbraw/zinc/79/41/03/1288794103.db2.gz LZNLNBRDLCCGTQ-LBPRGKRZSA-N -2 3 353.331 0.424 20 0 FCADHL O=C([O-])[C@H](CCF)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001608339813 1288825673 /nfs/dbraw/zinc/82/56/73/1288825673.db2.gz KYAHERFKEAXKCA-LURJTMIESA-N -2 3 358.800 0.609 20 0 FCADHL O=C([O-])[C@]12CCC[C@H]1N(C(=O)N[C@@H]1CCN(c3cc(=O)[n-]cn3)C1)CC2 ZINC001608410813 1288838150 /nfs/dbraw/zinc/83/81/50/1288838150.db2.gz RWZPPVHYIKDKAK-QFSBIZTOSA-N -2 3 361.402 0.800 20 0 FCADHL O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001608677145 1288863126 /nfs/dbraw/zinc/86/31/26/1288863126.db2.gz VPXMRCPYWOVFHF-RXMQYKEDSA-N -2 3 351.793 0.459 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)on1 ZINC001608860540 1288877054 /nfs/dbraw/zinc/87/70/54/1288877054.db2.gz PPTKLVHNRLLJES-OLZOCXBDSA-N -2 3 373.431 0.419 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609086665 1288911787 /nfs/dbraw/zinc/91/17/87/1288911787.db2.gz OFUBIMAPCLEOCT-JOYOIKCWSA-N -2 3 353.404 0.890 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609086665 1288911793 /nfs/dbraw/zinc/91/17/93/1288911793.db2.gz OFUBIMAPCLEOCT-JOYOIKCWSA-N -2 3 353.404 0.890 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ncn(C)n1 ZINC001609126004 1288933942 /nfs/dbraw/zinc/93/39/42/1288933942.db2.gz ZQGZVASZDJFFOR-LURJTMIESA-N -2 3 370.345 0.313 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC001609154323 1288953162 /nfs/dbraw/zinc/95/31/62/1288953162.db2.gz CNSHOOPBRMQKCO-WDEREUQCSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC001609154323 1288953165 /nfs/dbraw/zinc/95/31/65/1288953165.db2.gz CNSHOOPBRMQKCO-WDEREUQCSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609153487 1288953190 /nfs/dbraw/zinc/95/31/90/1288953190.db2.gz VPRHZAOZOJCFKX-SVRRBLITSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609153487 1288953194 /nfs/dbraw/zinc/95/31/94/1288953194.db2.gz VPRHZAOZOJCFKX-SVRRBLITSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001609166096 1288960039 /nfs/dbraw/zinc/96/00/39/1288960039.db2.gz GRSQWWCYFTWRLG-GWCFXTLKSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001609166096 1288960045 /nfs/dbraw/zinc/96/00/45/1288960045.db2.gz GRSQWWCYFTWRLG-GWCFXTLKSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H](C(=O)[O-])C1 ZINC001609168751 1288962266 /nfs/dbraw/zinc/96/22/66/1288962266.db2.gz LLDLYFACVIXEKZ-MFKMUULPSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H](C(=O)[O-])C1 ZINC001609168751 1288962268 /nfs/dbraw/zinc/96/22/68/1288962268.db2.gz LLDLYFACVIXEKZ-MFKMUULPSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CC[C@H]1C(=O)[O-] ZINC001609173482 1288967302 /nfs/dbraw/zinc/96/73/02/1288967302.db2.gz KGBIDCJLRPUWHE-PSASIEDQSA-N -2 3 369.378 0.737 20 0 FCADHL CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001609184358 1288975237 /nfs/dbraw/zinc/97/52/37/1288975237.db2.gz XBBFHLYMTHPVQP-QPUJVOFHSA-N -2 3 368.419 0.690 20 0 FCADHL CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001609184358 1288975242 /nfs/dbraw/zinc/97/52/42/1288975242.db2.gz XBBFHLYMTHPVQP-QPUJVOFHSA-N -2 3 368.419 0.690 20 0 FCADHL CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001609184357 1288975581 /nfs/dbraw/zinc/97/55/81/1288975581.db2.gz XBBFHLYMTHPVQP-PRHODGIISA-N -2 3 368.419 0.690 20 0 FCADHL CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001609184357 1288975584 /nfs/dbraw/zinc/97/55/84/1288975584.db2.gz XBBFHLYMTHPVQP-PRHODGIISA-N -2 3 368.419 0.690 20 0 FCADHL O=C([O-])C1(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001609554035 1289222006 /nfs/dbraw/zinc/22/20/06/1289222006.db2.gz LGJSRHQEXAUZRD-UHFFFAOYSA-N -2 3 360.374 0.547 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609572322 1289234853 /nfs/dbraw/zinc/23/48/53/1289234853.db2.gz QSGYOZOOWDFPAK-NEPJUHHUSA-N -2 3 351.388 0.539 20 0 FCADHL O=C1COc2ccc(S(=O)(=O)[N-]c3ccccc3-c3nn[n-]n3)cc2N1 ZINC001609589123 1289245132 /nfs/dbraw/zinc/24/51/32/1289245132.db2.gz IKDODFZLGLODCD-UHFFFAOYSA-N -2 3 372.366 0.998 20 0 FCADHL O=S(=O)(CCOCC1CC1)[N-]c1nc2n(c1-c1nn[n-]n1)CCS2 ZINC001609592461 1289250071 /nfs/dbraw/zinc/25/00/71/1289250071.db2.gz NJLJPZDMRRHOHX-UHFFFAOYSA-N -2 3 371.448 0.337 20 0 FCADHL O=S(=O)([N-]c1ncccc1-c1nnn[n-]1)c1cccc2c1OCCO2 ZINC001609596481 1289253719 /nfs/dbraw/zinc/25/37/19/1289253719.db2.gz MLDKOHXLNILDCJ-UHFFFAOYSA-N -2 3 360.355 0.834 20 0 FCADHL O=S(=O)([N-]c1ncccc1-c1nn[n-]n1)c1cccc2c1OCCO2 ZINC001609596481 1289253722 /nfs/dbraw/zinc/25/37/22/1289253722.db2.gz MLDKOHXLNILDCJ-UHFFFAOYSA-N -2 3 360.355 0.834 20 0 FCADHL COC[C@@H](C)CS(=O)(=O)[N-]C1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001610243002 1289435641 /nfs/dbraw/zinc/43/56/41/1289435641.db2.gz GRFSIKUTQXXLAE-CDWSIMAYSA-N -2 3 351.421 0.375 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1C(=O)[O-] ZINC001610550032 1289506843 /nfs/dbraw/zinc/50/68/43/1289506843.db2.gz UXEBPELCOTXLKO-NXEZZACHSA-N -2 3 374.463 0.582 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)nc2)c1C(=O)[O-] ZINC001610549944 1289506991 /nfs/dbraw/zinc/50/69/91/1289506991.db2.gz PXFKFQJRTZNIRX-UHFFFAOYSA-N -2 3 365.415 0.890 20 0 FCADHL O=C([O-])[C@H](CO)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001610652526 1289542315 /nfs/dbraw/zinc/54/23/15/1289542315.db2.gz WOMVJGKIRRNPKM-CVEARBPZSA-N -2 3 372.377 0.815 20 0 FCADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CNC1(CC(=O)[O-])CCOCC1 ZINC001118506349 847453184 /nfs/dbraw/zinc/45/31/84/847453184.db2.gz NMGRXKMNHPXEKJ-UHFFFAOYSA-N -2 3 352.435 0.692 20 0 FCADHL NS(=O)(=O)c1cc(C(=O)NCCCCP(=O)([O-])[O-])ccc1Cl ZINC001148373039 849611553 /nfs/dbraw/zinc/61/15/53/849611553.db2.gz MEHDJVONFXIZGK-UHFFFAOYSA-N -2 3 370.751 0.675 20 0 FCADHL COc1ccc(S(=O)(=O)NCCCc2c[n-][nH]c2=O)cc1C(=O)[O-] ZINC001185322742 851351222 /nfs/dbraw/zinc/35/12/22/851351222.db2.gz CRYBAUIRWAVVAY-SECBINFHSA-N -2 3 355.372 0.184 20 0 FCADHL COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185566341 851364583 /nfs/dbraw/zinc/36/45/83/851364583.db2.gz MRGBAFZTJWUBSJ-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185566341 851364586 /nfs/dbraw/zinc/36/45/86/851364586.db2.gz MRGBAFZTJWUBSJ-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL O=C([N-]c1ncc(Br)[nH]c1=O)c1[n-]nnc1C(F)(F)F ZINC001187770592 851606598 /nfs/dbraw/zinc/60/65/98/851606598.db2.gz NWHFUOMKKCXTQK-UHFFFAOYSA-N -2 3 353.058 0.922 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)NCCCc2c[n-][nH]c2=O)ccc1Cl ZINC001188327264 851670336 /nfs/dbraw/zinc/67/03/36/851670336.db2.gz DHVQRXWGQGCWIB-QMMMGPOBSA-N -2 3 359.791 0.829 20 0 FCADHL CN(C)C[C@@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189923960 851844481 /nfs/dbraw/zinc/84/44/81/851844481.db2.gz GOSHDNVVFMYWPH-GFCCVEGCSA-N -2 3 372.399 0.034 20 0 FCADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC(=O)CCC(=O)[O-] ZINC001190600986 851928548 /nfs/dbraw/zinc/92/85/48/851928548.db2.gz MBIRGTYXSQEKAK-UHFFFAOYSA-N -2 3 363.775 0.839 20 0 FCADHL CCOC(=O)C([N-]S(=O)(=O)c1ncccc1C(F)(F)F)=C(C)[O-] ZINC001194586320 852618359 /nfs/dbraw/zinc/61/83/59/852618359.db2.gz GDKGTRMVTBKLGB-SECBINFHSA-N -2 3 354.306 0.899 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C=CS(=O)(=O)C2)c(F)cc1F ZINC001195250211 852731418 /nfs/dbraw/zinc/73/14/18/852731418.db2.gz WRPAOFQICSJBQI-ZCFIWIBFSA-N -2 3 353.324 0.252 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCN(CCO)CC2)c(F)cc1F ZINC001195255065 852732548 /nfs/dbraw/zinc/73/25/48/852732548.db2.gz SDSFSUYWZMUVMP-UHFFFAOYSA-N -2 3 364.370 0.398 20 0 FCADHL COC(=O)C([N-]S(=O)(=O)c1c(F)cccc1Br)=C(C)[O-] ZINC001201046451 853515847 /nfs/dbraw/zinc/51/58/47/853515847.db2.gz MUGHXUGGZLESCP-SECBINFHSA-N -2 3 368.180 0.997 20 0 FCADHL CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)C2Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227565740 857164590 /nfs/dbraw/zinc/16/45/90/857164590.db2.gz BHTMGYQEOXLJGD-ULKQDVFKSA-N -2 3 354.363 0.544 20 0 FCADHL CN1CCO[C@@H](COc2[n-]c(=O)nc3nc(Br)[n-]c32)C1=O ZINC001227595923 857167001 /nfs/dbraw/zinc/16/70/01/857167001.db2.gz FAZYPLBJWMKPFW-YFKPBYRVSA-N -2 3 358.152 0.057 20 0 FCADHL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=S)nc2sccc21)[C@@H](O)C(=O)[O-] ZINC001229570077 857275918 /nfs/dbraw/zinc/27/59/18/857275918.db2.gz OIJLMWMESWVHCO-IYSWYEEDSA-N -3 3 358.353 0.422 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCNC(=O)C2)c(F)cc1Cl ZINC001259212250 858248597 /nfs/dbraw/zinc/24/85/97/858248597.db2.gz CUNCNGCHLYKJRE-SSDOTTSWSA-N -2 3 364.782 0.982 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(CCO)COC2)c(F)cc1Cl ZINC001259222861 858249090 /nfs/dbraw/zinc/24/90/90/858249090.db2.gz HNDUPTCRGZCSDK-UHFFFAOYSA-N -2 3 353.755 0.607 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2SC(=O)[N-]C2=O)c(F)cc1Cl ZINC001259221318 858249816 /nfs/dbraw/zinc/24/98/16/858249816.db2.gz BAOZBIBWTOOQMI-MRVPVSSYSA-N -3 3 368.751 0.765 20 0 FCADHL CN1c2ccc(S(=O)(=O)[N-]c3ccc(C(N)=O)c([O-])c3)cc2CC1=O ZINC001260161562 858338455 /nfs/dbraw/zinc/33/84/55/858338455.db2.gz GWMLNPKKBDGXQJ-UHFFFAOYSA-N -2 3 361.379 0.811 20 0 FCADHL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c([O-])c2)c1 ZINC001260605756 858401787 /nfs/dbraw/zinc/40/17/87/858401787.db2.gz FAEQKCLARRTDAF-UHFFFAOYSA-N -2 3 370.408 0.695 20 0 FCADHL COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CC(=O)CCC(=O)[O-] ZINC001261065215 858442710 /nfs/dbraw/zinc/44/27/10/858442710.db2.gz ZKEKKESBADMLRC-UHFFFAOYSA-N -2 3 369.804 0.900 20 0 FCADHL CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000322772500 970927883 /nfs/dbraw/zinc/92/78/83/970927883.db2.gz IROXQURWTMPHQT-ZCFIWIBFSA-N -2 3 352.771 0.980 20 0 FCADHL CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000323135355 970969329 /nfs/dbraw/zinc/96/93/29/970969329.db2.gz VCSSAWZAPBZDQS-ZETCQYMHSA-N -2 3 350.343 0.808 20 0 FCADHL O=C([O-])c1n[nH]cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001601580554 971024593 /nfs/dbraw/zinc/02/45/93/971024593.db2.gz CCWDJXUPEUHBLR-UHFFFAOYSA-N -2 3 368.346 0.940 20 0 FCADHL O=c1[n-]c(CCCNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)n[nH]1 ZINC000823665974 946463164 /nfs/dbraw/zinc/46/31/64/946463164.db2.gz YWBHGSXRYNVRNS-UHFFFAOYSA-N -2 3 373.327 0.983 20 0 FCADHL O=c1[n-]c(CCCNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)n[nH]1 ZINC000823665974 946463166 /nfs/dbraw/zinc/46/31/66/946463166.db2.gz YWBHGSXRYNVRNS-UHFFFAOYSA-N -2 3 373.327 0.983 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCNC(=O)c2ccc(C)cc2)c1C(=O)[O-] ZINC000326917387 971344894 /nfs/dbraw/zinc/34/48/94/971344894.db2.gz HNVZOYJJTWJLAW-UHFFFAOYSA-N -2 3 366.399 0.433 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000826175251 947543204 /nfs/dbraw/zinc/54/32/04/947543204.db2.gz YGAJONJRUGSHMW-LLVKDONJSA-N -2 3 361.358 0.624 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000826358351 948113216 /nfs/dbraw/zinc/11/32/16/948113216.db2.gz PYBPBFRDPWXHFF-UHFFFAOYSA-N -2 3 374.382 0.354 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000826358351 948113222 /nfs/dbraw/zinc/11/32/22/948113222.db2.gz PYBPBFRDPWXHFF-UHFFFAOYSA-N -2 3 374.382 0.354 20 0 FCADHL C[C@H](C(=O)NCCc1c(F)cc([O-])cc1F)n1cnc(-c2nnn[n-]2)n1 ZINC001573716168 948497488 /nfs/dbraw/zinc/49/74/88/948497488.db2.gz CKFBWBPBHUFYCZ-SSDOTTSWSA-N -2 3 364.316 0.362 20 0 FCADHL C[C@H](C(=O)NCCc1c(F)cc([O-])cc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001573716168 948497493 /nfs/dbraw/zinc/49/74/93/948497493.db2.gz CKFBWBPBHUFYCZ-SSDOTTSWSA-N -2 3 364.316 0.362 20 0 FCADHL C[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001573730051 948575652 /nfs/dbraw/zinc/57/56/52/948575652.db2.gz LGGMUADOGGCNAY-QMMMGPOBSA-N -2 3 370.377 0.099 20 0 FCADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001574083653 948890549 /nfs/dbraw/zinc/89/05/49/948890549.db2.gz WQDWGCSGOZLKBZ-ZDUSSCGKSA-N -2 3 373.373 0.605 20 0 FCADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001574083653 948890563 /nfs/dbraw/zinc/89/05/63/948890563.db2.gz WQDWGCSGOZLKBZ-ZDUSSCGKSA-N -2 3 373.373 0.605 20 0 FCADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001574083652 948892586 /nfs/dbraw/zinc/89/25/86/948892586.db2.gz WQDWGCSGOZLKBZ-CYBMUJFWSA-N -2 3 373.373 0.605 20 0 FCADHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001574083652 948892591 /nfs/dbraw/zinc/89/25/91/948892591.db2.gz WQDWGCSGOZLKBZ-CYBMUJFWSA-N -2 3 373.373 0.605 20 0 FCADHL C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1ncccc1[O-] ZINC001574689740 948992129 /nfs/dbraw/zinc/99/21/29/948992129.db2.gz KUKMTIIJCKUOSA-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1ncccc1[O-] ZINC001574689740 948992143 /nfs/dbraw/zinc/99/21/43/948992143.db2.gz KUKMTIIJCKUOSA-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL CC(C)(C)[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1nc(=O)o[n-]1 ZINC001573822569 949798366 /nfs/dbraw/zinc/79/83/66/949798366.db2.gz JUVXJLXDLJDGTE-GFCCVEGCSA-N -2 3 357.374 0.989 20 0 FCADHL CC(C)(C)[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1nc(=O)o[n-]1 ZINC001573822569 949798380 /nfs/dbraw/zinc/79/83/80/949798380.db2.gz JUVXJLXDLJDGTE-GFCCVEGCSA-N -2 3 357.374 0.989 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)c1c(Br)cccc1-c1nnn[n-]1 ZINC001570956456 949851726 /nfs/dbraw/zinc/85/17/26/949851726.db2.gz GNNPKRKJPXQXRG-UHFFFAOYSA-N -2 3 352.152 0.942 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)c1c(Br)cccc1-c1nn[n-]n1 ZINC001570956456 949851748 /nfs/dbraw/zinc/85/17/48/949851748.db2.gz GNNPKRKJPXQXRG-UHFFFAOYSA-N -2 3 352.152 0.942 20 0 FCADHL C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1ncccc1[O-] ZINC001574983587 950226818 /nfs/dbraw/zinc/22/68/18/950226818.db2.gz QBCWJDCBZGIAAJ-SECBINFHSA-N -2 3 370.373 0.091 20 0 FCADHL C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1ncccc1[O-] ZINC001574983587 950226834 /nfs/dbraw/zinc/22/68/34/950226834.db2.gz QBCWJDCBZGIAAJ-SECBINFHSA-N -2 3 370.373 0.091 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767689 950864569 /nfs/dbraw/zinc/86/45/69/950864569.db2.gz UOBQDTHPSCZPKV-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767689 950864589 /nfs/dbraw/zinc/86/45/89/950864589.db2.gz UOBQDTHPSCZPKV-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c([O-])c1 ZINC001591176114 951086009 /nfs/dbraw/zinc/08/60/09/951086009.db2.gz GVESWGFXVOPMGX-NSHDSACASA-N -2 3 364.354 0.831 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571026836 951482501 /nfs/dbraw/zinc/48/25/01/951482501.db2.gz DOAQBJRIUBYPKI-GXSJLCMTSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571026836 951482504 /nfs/dbraw/zinc/48/25/04/951482504.db2.gz DOAQBJRIUBYPKI-GXSJLCMTSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575067134 951604883 /nfs/dbraw/zinc/60/48/83/951604883.db2.gz IQUIIKKUQLMROA-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575067134 951604887 /nfs/dbraw/zinc/60/48/87/951604887.db2.gz IQUIIKKUQLMROA-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL O=C([O-])[C@H]1CC(C(=O)NCCCc2c[n-][nH]c2=O)=NN1c1ccccc1 ZINC001594757310 953476689 /nfs/dbraw/zinc/47/66/89/953476689.db2.gz TVMIYHUUAICTDH-SMDDNHRTSA-N -2 3 357.370 0.334 20 0 FCADHL O=C([O-])C1CC2(C1)CC[C@H](C[N-]S(=O)(=O)Cc1noc(C3CC3)n1)O2 ZINC001594907424 954688216 /nfs/dbraw/zinc/68/82/16/954688216.db2.gz MHDCQERTHXJKRT-LOIXOFCESA-N -2 3 371.415 0.779 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)CC1 ZINC001594939345 954869009 /nfs/dbraw/zinc/86/90/09/954869009.db2.gz QCVNYKUGAHDFRD-UHFFFAOYSA-N -2 3 370.431 0.581 20 0 FCADHL Cn1c2cc([O-])c(NC(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)cc2n(C)c1=O ZINC001594517328 955420410 /nfs/dbraw/zinc/42/04/10/955420410.db2.gz OQVUBJFVMUOIRF-VHSXEESVSA-N -2 3 363.370 0.791 20 0 FCADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593867894 955603717 /nfs/dbraw/zinc/60/37/17/955603717.db2.gz QDAFLGXWVALCIL-IUCAKERBSA-N -2 3 368.342 0.796 20 0 FCADHL Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001594563580 955816845 /nfs/dbraw/zinc/81/68/45/955816845.db2.gz GDSVWCKRLDKQPK-UHFFFAOYSA-N -2 3 358.354 0.422 20 0 FCADHL COC(=O)c1cccc2nc(NC(=O)c3cccn(CC(=O)[O-])c3=O)[n-]c21 ZINC001593899315 955858129 /nfs/dbraw/zinc/85/81/29/955858129.db2.gz YVQWHRWDGRRXGW-UHFFFAOYSA-N -2 3 370.321 0.848 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001594467461 959511555 /nfs/dbraw/zinc/51/15/55/959511555.db2.gz BJISIIHSLLOJFI-CHWSQXEVSA-N -2 3 373.413 0.874 20 0 FCADHL Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CCC(=O)[O-] ZINC001594489683 959685037 /nfs/dbraw/zinc/68/50/37/959685037.db2.gz KMCJJAWRCNNYIC-UHFFFAOYSA-N -2 3 363.193 0.553 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3cc(C(=O)[O-])nn3C)C2)n1 ZINC001594269707 959788294 /nfs/dbraw/zinc/78/82/94/959788294.db2.gz WRFSRTSKLKPUBJ-JTQLQIEISA-N -2 3 360.374 0.321 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3cccc(OCC(=O)[O-])c3)C2)n1 ZINC001574307070 960745748 /nfs/dbraw/zinc/74/57/48/960745748.db2.gz SDELWFMNBRMSFJ-ZDUSSCGKSA-N -2 3 372.381 0.963 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001603292199 972551777 /nfs/dbraw/zinc/55/17/77/972551777.db2.gz CVIFAUPIHPZQSK-LBPRGKRZSA-N -2 3 360.164 0.177 20 0 FCADHL CO[C@H](C(=O)[O-])C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001604442092 973248612 /nfs/dbraw/zinc/24/86/12/973248612.db2.gz SBENVHOSIFDOIL-ZETCQYMHSA-N -2 3 351.406 0.258 20 0 FCADHL CC(C)O[C@@]1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCOC1 ZINC001591696229 975532366 /nfs/dbraw/zinc/53/23/66/975532366.db2.gz OPGUZGOZNWMADP-GFCCVEGCSA-N -2 3 350.418 0.704 20 0 FCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(N)=O ZINC001591844762 976122366 /nfs/dbraw/zinc/12/23/66/976122366.db2.gz LJNMXFOHFFOSJE-SNVBAGLBSA-N -2 3 352.771 0.966 20 0 FCADHL CC[C@](COC)([N-]S(=O)(=O)c1cnn(C)c1Br)C(=O)[O-] ZINC001595199243 979936557 /nfs/dbraw/zinc/93/65/57/979936557.db2.gz YIXRTKRPWPAOGQ-SNVBAGLBSA-N -2 3 370.225 0.341 20 0 FCADHL C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001593025630 980281956 /nfs/dbraw/zinc/28/19/56/980281956.db2.gz GICQXLWSRJQHGP-RQJHMYQMSA-N -2 3 363.296 0.324 20 0 FCADHL CCN1CCN(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)[C@H](C)C1 ZINC001596431968 984103869 /nfs/dbraw/zinc/10/38/69/984103869.db2.gz ORBXGVWFYAOCBR-CYBMUJFWSA-N -2 3 372.425 0.959 20 0 FCADHL CCNC(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001596470762 984193418 /nfs/dbraw/zinc/19/34/18/984193418.db2.gz GXUQZFBWFJZXQB-UHFFFAOYSA-N -2 3 367.786 0.775 20 0 FCADHL CCOC(=O)[C@@]1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CCCOC1 ZINC001596555720 984427903 /nfs/dbraw/zinc/42/79/03/984427903.db2.gz RNFXATHYLOVUPB-CQSZACIVSA-N -2 3 361.372 0.616 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001596696618 984837729 /nfs/dbraw/zinc/83/77/29/984837729.db2.gz KHFLJICNDBTONT-RGOKHQFPSA-N -2 3 357.388 0.282 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001596696761 984842948 /nfs/dbraw/zinc/84/29/48/984842948.db2.gz QNBYJLHLUVTQEF-YTWAJWBKSA-N -2 3 371.415 0.672 20 0 FCADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])c2)[n-]1 ZINC001596749451 985088142 /nfs/dbraw/zinc/08/81/42/985088142.db2.gz TZNDWTOOHUFJLU-NWDGAFQWSA-N -2 3 358.354 0.985 20 0 FCADHL CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1(C)C ZINC001596848095 985568806 /nfs/dbraw/zinc/56/88/06/985568806.db2.gz ZOJURDQFELVJRR-OTYXRUKQSA-N -2 3 361.420 0.261 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])c(C)n2C)s1 ZINC001589225109 985752238 /nfs/dbraw/zinc/75/22/38/985752238.db2.gz RGIMARDIQGORRP-UHFFFAOYSA-N -2 3 372.428 0.925 20 0 FCADHL CC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001589839905 988328268 /nfs/dbraw/zinc/32/82/68/988328268.db2.gz MDEBHEATORFFBP-UHFFFAOYSA-N -2 3 364.445 0.980 20 0 FCADHL CC(C)(C)OC(=O)N1CCC([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC001589981339 988851510 /nfs/dbraw/zinc/85/15/10/988851510.db2.gz DBRYLSAYMPQXCX-UHFFFAOYSA-N -2 3 374.419 0.786 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OCc1ccccc1 ZINC001599842299 988862967 /nfs/dbraw/zinc/86/29/67/988862967.db2.gz HSJGHEBHBJPNCA-SECBINFHSA-N -2 3 353.356 0.518 20 0 FCADHL CC(C)(CCS(C)(=O)=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001590694658 990413852 /nfs/dbraw/zinc/41/38/52/990413852.db2.gz XSTLZCVMKLLNIO-UHFFFAOYSA-N -2 3 356.447 0.333 20 0 FCADHL CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC001598116817 990519522 /nfs/dbraw/zinc/51/95/22/990519522.db2.gz GKNHFELLDWPICV-DTWKUNHWSA-N -2 3 361.445 0.767 20 0 FCADHL CN(C)C(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001598145511 990617559 /nfs/dbraw/zinc/61/75/59/990617559.db2.gz YVXIODIYXYHOAK-UHFFFAOYSA-N -2 3 368.371 0.945 20 0 FCADHL CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1F ZINC001598283165 991170151 /nfs/dbraw/zinc/17/01/51/991170151.db2.gz GBEGIBXFKKMFQI-OAQYLSRUSA-N -2 3 353.397 0.433 20 0 FCADHL CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1=O ZINC001598631679 994182367 /nfs/dbraw/zinc/18/23/67/994182367.db2.gz RYUNCRYLVYXNQO-NSHDSACASA-N -2 3 350.356 0.100 20 0 FCADHL CNC(=O)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001598645553 994367358 /nfs/dbraw/zinc/36/73/58/994367358.db2.gz XXQDGEGZZNNEBD-UHFFFAOYSA-N -2 3 357.207 0.233 20 0 FCADHL COc1cccc(C(=O)NCC[N-]S(=O)(=O)c2occc2C(=O)[O-])c1 ZINC001599642245 994375237 /nfs/dbraw/zinc/37/52/37/994375237.db2.gz FNTKXFWVHYULTK-UHFFFAOYSA-N -2 3 368.367 0.695 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])ccc1F ZINC001598673065 994791757 /nfs/dbraw/zinc/79/17/57/994791757.db2.gz FQVQPKRCEOLGHU-QMMMGPOBSA-N -2 3 354.306 0.572 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)N1CCCC[C@H]1C ZINC001593347741 994960285 /nfs/dbraw/zinc/96/02/85/994960285.db2.gz RWMGVHSFWOHYSL-RKDXNWHRSA-N -2 3 361.445 0.909 20 0 FCADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)CCC1Cc2ccccc2C1 ZINC001598692993 995093411 /nfs/dbraw/zinc/09/34/11/995093411.db2.gz AXMSWUGKBUDQJJ-AWEZNQCLSA-N -2 3 355.412 0.727 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001598709804 995334536 /nfs/dbraw/zinc/33/45/36/995334536.db2.gz PYOYOFLSTCHRAJ-KGYLQXTDSA-N -2 3 357.384 0.692 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)c2ccc(C)nn2)CCC(C(=O)[O-])CC1 ZINC001598724367 995509970 /nfs/dbraw/zinc/50/99/70/995509970.db2.gz MNNAXZMRZROUAE-UHFFFAOYSA-N -2 3 357.388 0.250 20 0 FCADHL COc1ccc(C(=O)NCC[N-]S(=O)(=O)c2occc2C(=O)[O-])cc1 ZINC001599484302 996820098 /nfs/dbraw/zinc/82/00/98/996820098.db2.gz MIXNGPMVXHWVII-UHFFFAOYSA-N -2 3 368.367 0.695 20 0 FCADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001599502384 997148547 /nfs/dbraw/zinc/14/85/47/997148547.db2.gz GZCPCDOLMKEGAZ-UHFFFAOYSA-N -2 3 365.367 0.902 20 0 FCADHL CO[C@@H]1CCC[C@H]([C@H](CO)[N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001599107108 997498809 /nfs/dbraw/zinc/49/88/09/997498809.db2.gz TYOYCWKTUCOVHT-AEJSXWLSSA-N -2 3 364.445 0.686 20 0 FCADHL COC1CCN(C(C)(C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001599121651 997749727 /nfs/dbraw/zinc/74/97/27/997749727.db2.gz CXDULHLXMNBTRV-UHFFFAOYSA-N -2 3 361.420 0.541 20 0 FCADHL COCCOC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCOCC1 ZINC001599248653 998190227 /nfs/dbraw/zinc/19/02/27/998190227.db2.gz XTEVMCVHKNNVSP-UHFFFAOYSA-N -2 3 363.388 0.468 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001594114464 998239453 /nfs/dbraw/zinc/23/94/53/998239453.db2.gz ZNXDCNLXNOJNDU-RKDXNWHRSA-N -2 3 365.415 0.966 20 0 FCADHL COC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C(=O)[O-] ZINC001599171322 998613512 /nfs/dbraw/zinc/61/35/12/998613512.db2.gz CIDYSRDYBWMVGL-LBPRGKRZSA-N -2 3 363.326 0.770 20 0 FCADHL COC(=O)c1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)cc1C(=O)[O-] ZINC001598980989 998657281 /nfs/dbraw/zinc/65/72/81/998657281.db2.gz WDHRRTOPUNWTQU-SECBINFHSA-N -2 3 362.342 0.805 20 0 FCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)CC2(C(=O)[O-])CC2)C(=O)N1c1ccccc1 ZINC001594263592 999016643 /nfs/dbraw/zinc/01/66/43/999016643.db2.gz BPSBELCBDGMLLO-AAEUAGOBSA-N -2 3 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NC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Cc1ccc(F)cc1 ZINC000739147339 599779599 /nfs/dbraw/zinc/77/95/99/599779599.db2.gz BZBADDNWOGQPQB-JTQLQIEISA-N -2 3 370.358 0.739 20 0 FCADHL O=C([O-])[C@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)Cc1ccc(O)cc1 ZINC000739296402 600179695 /nfs/dbraw/zinc/17/96/95/600179695.db2.gz DJDYLJJAPHSNNG-AWEZNQCLSA-N -2 3 372.377 0.887 20 0 FCADHL CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000736889753 600367033 /nfs/dbraw/zinc/36/70/33/600367033.db2.gz ZAJXDIGDBDXNCX-OQPBUACISA-N -2 3 362.338 0.343 20 0 FCADHL O=C([O-])Cc1nc([N-]C(=O)c2nc(N3CCCC3)ncc2Cl)n[nH]1 ZINC000739899207 600534137 /nfs/dbraw/zinc/53/41/37/600534137.db2.gz FJRHSANXWLOSFR-UHFFFAOYSA-N -2 3 351.754 0.728 20 0 FCADHL Cc1c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cnn1-c1ccccn1 ZINC000826242813 607461481 /nfs/dbraw/zinc/46/14/81/607461481.db2.gz HMHLKLNNLGBDAB-UHFFFAOYSA-N -2 3 372.374 0.280 20 0 FCADHL C[C@@]1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCS(=O)(=O)C1 ZINC000319593200 600990675 /nfs/dbraw/zinc/99/06/75/600990675.db2.gz KTCXDOHIXYJHQY-GFCCVEGCSA-N -2 3 369.367 0.519 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc(OCC(N)=O)c2)cc1C(=O)[O-] ZINC000833027017 601223327 /nfs/dbraw/zinc/22/33/27/601223327.db2.gz NEAXKFXIESRFSE-UHFFFAOYSA-N -2 3 368.367 0.629 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)c1F ZINC000314145465 601227923 /nfs/dbraw/zinc/22/79/23/601227923.db2.gz UPASXBDLTZANHN-LURJTMIESA-N -2 3 355.340 0.128 20 0 FCADHL Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CC2 ZINC000833006152 601234064 /nfs/dbraw/zinc/23/40/64/601234064.db2.gz CDRNZMVDAXPUPU-MRVPVSSYSA-N -2 3 372.353 0.856 20 0 FCADHL NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000833080951 601238906 /nfs/dbraw/zinc/23/89/06/601238906.db2.gz RPIOFIGGKNCGLT-YUMQZZPRSA-N -2 3 362.354 0.985 20 0 FCADHL O=C([O-])c1ccsc1N1CC[C@@H]([N-]S(=O)(=O)C[C@@H]2CCCO2)C1=O ZINC000833341966 601263400 /nfs/dbraw/zinc/26/34/00/601263400.db2.gz TUDGRKWMKNNSAF-GXSJLCMTSA-N -2 3 374.440 0.650 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)c(C)o1 ZINC000831033722 601358100 /nfs/dbraw/zinc/35/81/00/601358100.db2.gz BGQWLVNPMVCONA-UHFFFAOYSA-N -2 3 371.323 0.827 20 0 FCADHL C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1C(=O)[O-] ZINC000828341277 601762780 /nfs/dbraw/zinc/76/27/80/601762780.db2.gz PDLBLYHAFYTKBF-SFYZADRCSA-N -2 3 366.848 0.859 20 0 FCADHL CCCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313556 602141476 /nfs/dbraw/zinc/14/14/76/602141476.db2.gz XBXYGDMNUKCOKV-UHFFFAOYSA-N -2 3 369.193 0.545 20 0 FCADHL CC(C)CO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824271614 607555603 /nfs/dbraw/zinc/55/56/03/607555603.db2.gz PVUIETGUOBQONA-SNVBAGLBSA-N -2 3 368.419 0.237 20 0 FCADHL CC(C)CO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824271614 607555605 /nfs/dbraw/zinc/55/56/05/607555605.db2.gz PVUIETGUOBQONA-SNVBAGLBSA-N -2 3 368.419 0.237 20 0 FCADHL Cc1cccc(NC(=O)C(=O)[N-]OCc2cccnc2)c1-c1nnn[n-]1 ZINC000826299049 607632810 /nfs/dbraw/zinc/63/28/10/607632810.db2.gz PELMSHGQGBZNAL-UHFFFAOYSA-N -2 3 353.342 0.757 20 0 FCADHL Cc1cccc(NC(=O)C(=O)[N-]OCc2cccnc2)c1-c1nn[n-]n1 ZINC000826299049 607632811 /nfs/dbraw/zinc/63/28/11/607632811.db2.gz PELMSHGQGBZNAL-UHFFFAOYSA-N -2 3 353.342 0.757 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000826163735 607661112 /nfs/dbraw/zinc/66/11/12/607661112.db2.gz IXFMFECDLFVAKP-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H]1CN(C)CCO1 ZINC000827760681 604417719 /nfs/dbraw/zinc/41/77/19/604417719.db2.gz OIKYJDTZILZHRD-WCBMZHEXSA-N -2 3 364.370 0.660 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCSC2)c1 ZINC000833715953 604704250 /nfs/dbraw/zinc/70/42/50/604704250.db2.gz JOHIFZPKDSGEST-CYBMUJFWSA-N -2 3 363.388 0.851 20 0 FCADHL NC(=O)COc1cccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000833761807 605041268 /nfs/dbraw/zinc/04/12/68/605041268.db2.gz YWVMUBSVTAQLRF-UHFFFAOYSA-N -2 3 371.396 0.184 20 0 FCADHL NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cn1 ZINC000833761869 605049368 /nfs/dbraw/zinc/04/93/68/605049368.db2.gz BXEQMXWWYNWKAJ-UHFFFAOYSA-N -2 3 371.400 0.240 20 0 FCADHL CC(C)(C)OC(=O)Nc1cnc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)cn1 ZINC000833445034 605306374 /nfs/dbraw/zinc/30/63/74/605306374.db2.gz VODNZTFHRIURGD-UHFFFAOYSA-N -2 3 363.334 0.821 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823118481 606265891 /nfs/dbraw/zinc/26/58/91/606265891.db2.gz ADIRLFTXXBWUBT-UHFFFAOYSA-N -2 3 355.293 0.029 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823118481 606265893 /nfs/dbraw/zinc/26/58/93/606265893.db2.gz ADIRLFTXXBWUBT-UHFFFAOYSA-N -2 3 355.293 0.029 20 0 FCADHL CCN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153492 606310906 /nfs/dbraw/zinc/31/09/06/606310906.db2.gz DIEBGPFBDKGDEP-JTQLQIEISA-N -2 3 369.385 0.889 20 0 FCADHL O=C([O-])[C@H]1CCCN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000823387583 606337020 /nfs/dbraw/zinc/33/70/20/606337020.db2.gz PSOYIRKAHKQCHX-JTQLQIEISA-N -2 3 351.388 0.493 20 0 FCADHL O=C([O-])[C@H]1CCCN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000823387583 606337021 /nfs/dbraw/zinc/33/70/21/606337021.db2.gz PSOYIRKAHKQCHX-JTQLQIEISA-N -2 3 351.388 0.493 20 0 FCADHL NC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000822890244 606338309 /nfs/dbraw/zinc/33/83/09/606338309.db2.gz QIJWKSLKPSBUNL-UHFFFAOYSA-N -2 3 360.355 0.472 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821846352 606405582 /nfs/dbraw/zinc/40/55/82/606405582.db2.gz RLWPLTICRBJNFW-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821846352 606405583 /nfs/dbraw/zinc/40/55/83/606405583.db2.gz RLWPLTICRBJNFW-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000822645892 606406537 /nfs/dbraw/zinc/40/65/37/606406537.db2.gz VHYMJQZCPQFIDQ-UHFFFAOYSA-N -2 3 366.790 0.977 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000822645892 606406539 /nfs/dbraw/zinc/40/65/39/606406539.db2.gz VHYMJQZCPQFIDQ-UHFFFAOYSA-N -2 3 366.790 0.977 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cn1 ZINC000821566407 606707235 /nfs/dbraw/zinc/70/72/35/606707235.db2.gz CBENQLHNZWKXBR-UHFFFAOYSA-N -2 3 365.423 0.835 20 0 FCADHL COCCc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821694431 606710641 /nfs/dbraw/zinc/71/06/41/606710641.db2.gz MXZYYDAQHFWDFQ-UHFFFAOYSA-N -2 3 363.403 0.590 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC000820675129 606922774 /nfs/dbraw/zinc/92/27/74/606922774.db2.gz HYWQBEVMWSVEHS-RDDDGLTNSA-N -2 3 371.806 0.893 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC000820675129 606922776 /nfs/dbraw/zinc/92/27/76/606922776.db2.gz HYWQBEVMWSVEHS-RDDDGLTNSA-N -2 3 371.806 0.893 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)c1cnccn1 ZINC000822929264 606953772 /nfs/dbraw/zinc/95/37/72/606953772.db2.gz RINNDOYGKBNPMZ-AATRIKPKSA-N -2 3 357.355 0.175 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)c1cnccn1 ZINC000822929264 606953774 /nfs/dbraw/zinc/95/37/74/606953774.db2.gz RINNDOYGKBNPMZ-AATRIKPKSA-N -2 3 357.355 0.175 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823118705 606998963 /nfs/dbraw/zinc/99/89/63/606998963.db2.gz NHOGYQNNRWLACJ-UHFFFAOYSA-N -2 3 370.304 0.134 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823118705 606998964 /nfs/dbraw/zinc/99/89/64/606998964.db2.gz NHOGYQNNRWLACJ-UHFFFAOYSA-N -2 3 370.304 0.134 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823118721 607083314 /nfs/dbraw/zinc/08/33/14/607083314.db2.gz NWTMEDMKXVCXAX-UHFFFAOYSA-N -2 3 370.304 0.134 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823118721 607083316 /nfs/dbraw/zinc/08/33/16/607083316.db2.gz NWTMEDMKXVCXAX-UHFFFAOYSA-N -2 3 370.304 0.134 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000821700732 607110476 /nfs/dbraw/zinc/11/04/76/607110476.db2.gz WILVHWAKXYXSEF-MRXNPFEDSA-N -2 3 361.358 0.577 20 0 FCADHL COCCc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(C)n1 ZINC000821694252 607122379 /nfs/dbraw/zinc/12/23/79/607122379.db2.gz DWECPWXOYHTCPP-UHFFFAOYSA-N -2 3 363.403 0.590 20 0 FCADHL COCCc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC000821694252 607122380 /nfs/dbraw/zinc/12/23/80/607122380.db2.gz DWECPWXOYHTCPP-UHFFFAOYSA-N -2 3 363.403 0.590 20 0 FCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000819997603 607158188 /nfs/dbraw/zinc/15/81/88/607158188.db2.gz XGNXPEFHVPHEMB-UHFFFAOYSA-N -2 3 372.389 0.597 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825073654 607777538 /nfs/dbraw/zinc/77/75/38/607777538.db2.gz AAQBOAHZFYLIHN-SNVBAGLBSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825073654 607777539 /nfs/dbraw/zinc/77/75/39/607777539.db2.gz AAQBOAHZFYLIHN-SNVBAGLBSA-N -2 3 353.404 0.628 20 0 FCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000824739685 607860471 /nfs/dbraw/zinc/86/04/71/607860471.db2.gz ZIQHOVICKGKODT-JTQLQIEISA-N -2 3 365.415 0.880 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c[nH]1 ZINC000826462393 607933519 /nfs/dbraw/zinc/93/35/19/607933519.db2.gz WYGHMNXTHFZGFE-UHFFFAOYSA-N -2 3 360.355 0.644 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c[nH]1 ZINC000826462393 607933520 /nfs/dbraw/zinc/93/35/20/607933520.db2.gz WYGHMNXTHFZGFE-UHFFFAOYSA-N -2 3 360.355 0.644 20 0 FCADHL CS[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826224513 607944910 /nfs/dbraw/zinc/94/49/10/607944910.db2.gz GUQKONVMOHQOSN-SECBINFHSA-N -2 3 355.445 0.954 20 0 FCADHL CS[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826224513 607944911 /nfs/dbraw/zinc/94/49/11/607944911.db2.gz GUQKONVMOHQOSN-SECBINFHSA-N -2 3 355.445 0.954 20 0 FCADHL O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826403300 607985490 /nfs/dbraw/zinc/98/54/90/607985490.db2.gz OLEYBVQPODMUAL-BHQIHCQQSA-N -2 3 374.357 0.919 20 0 FCADHL O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826403300 607985491 /nfs/dbraw/zinc/98/54/91/607985491.db2.gz OLEYBVQPODMUAL-BHQIHCQQSA-N -2 3 374.357 0.919 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826461224 608010361 /nfs/dbraw/zinc/01/03/61/608010361.db2.gz LTMPTUYWXYPYTK-ZDUSSCGKSA-N -2 3 359.367 0.971 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826461224 608010362 /nfs/dbraw/zinc/01/03/62/608010362.db2.gz LTMPTUYWXYPYTK-ZDUSSCGKSA-N -2 3 359.367 0.971 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000826461159 608010711 /nfs/dbraw/zinc/01/07/11/608010711.db2.gz IOCPXBFXFHHJII-ZCFIWIBFSA-N -2 3 359.314 0.240 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000826461159 608010712 /nfs/dbraw/zinc/01/07/12/608010712.db2.gz IOCPXBFXFHHJII-ZCFIWIBFSA-N -2 3 359.314 0.240 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000826256067 608011576 /nfs/dbraw/zinc/01/15/76/608011576.db2.gz TUYGSEKBHIIKOM-NSHDSACASA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000826256067 608011577 /nfs/dbraw/zinc/01/15/77/608011577.db2.gz TUYGSEKBHIIKOM-NSHDSACASA-N -2 3 353.404 0.953 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826402703 608076481 /nfs/dbraw/zinc/07/64/81/608076481.db2.gz ZZZPFXVUORFQBS-QRGHLMKCSA-N -2 3 363.399 0.362 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826402703 608076482 /nfs/dbraw/zinc/07/64/82/608076482.db2.gz ZZZPFXVUORFQBS-QRGHLMKCSA-N -2 3 363.399 0.362 20 0 FCADHL O=S(=O)([N-]CC1(CO)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490412 608127069 /nfs/dbraw/zinc/12/70/69/608127069.db2.gz UPZCTBRWHVTZPY-UHFFFAOYSA-N -2 3 359.358 0.586 20 0 FCADHL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)ccc21 ZINC000823989317 608306589 /nfs/dbraw/zinc/30/65/89/608306589.db2.gz UASWMUVZQFJZLX-UHFFFAOYSA-N -2 3 374.386 0.300 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826449742 609143543 /nfs/dbraw/zinc/14/35/43/609143543.db2.gz IAEUITSBIPJQKY-XQQFMLRXSA-N -2 3 363.399 0.238 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826449742 609143544 /nfs/dbraw/zinc/14/35/44/609143544.db2.gz IAEUITSBIPJQKY-XQQFMLRXSA-N -2 3 363.399 0.238 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826402283 609161865 /nfs/dbraw/zinc/16/18/65/609161865.db2.gz QFBWTSDIIDELBH-QDZRJHCZSA-N -2 3 363.399 0.505 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826402283 609161867 /nfs/dbraw/zinc/16/18/67/609161867.db2.gz QFBWTSDIIDELBH-QDZRJHCZSA-N -2 3 363.399 0.505 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCOC1 ZINC000824783159 609352658 /nfs/dbraw/zinc/35/26/58/609352658.db2.gz DRYOVPKMGVTWSY-HNNXBMFYSA-N -2 3 365.415 0.629 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCOC1 ZINC000824783159 609352660 /nfs/dbraw/zinc/35/26/60/609352660.db2.gz DRYOVPKMGVTWSY-HNNXBMFYSA-N -2 3 365.415 0.629 20 0 FCADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[nH]n1 ZINC000825559972 609382480 /nfs/dbraw/zinc/38/24/80/609382480.db2.gz MEKRHZCKJJHJNQ-UHFFFAOYSA-N -2 3 363.359 0.567 20 0 FCADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[nH]n1 ZINC000825559972 609382482 /nfs/dbraw/zinc/38/24/82/609382482.db2.gz MEKRHZCKJJHJNQ-UHFFFAOYSA-N -2 3 363.359 0.567 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC000825643035 609405596 /nfs/dbraw/zinc/40/55/96/609405596.db2.gz GJAPNLSCISIROY-UHFFFAOYSA-N -2 3 363.359 0.107 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC000825643035 609405598 /nfs/dbraw/zinc/40/55/98/609405598.db2.gz GJAPNLSCISIROY-UHFFFAOYSA-N -2 3 363.359 0.107 20 0 FCADHL CCNC(=O)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761243193 667883193 /nfs/dbraw/zinc/88/31/93/667883193.db2.gz ULSIRSIYIVWSAN-UHFFFAOYSA-N -2 3 371.234 0.623 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1 ZINC000776441162 668262913 /nfs/dbraw/zinc/26/29/13/668262913.db2.gz FYYLCDAMIWKENA-LBPRGKRZSA-N -2 3 367.383 0.999 20 0 FCADHL NC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000776483010 668265048 /nfs/dbraw/zinc/26/50/48/668265048.db2.gz UGTBKYQPSVEEAB-YFKPBYRVSA-N -2 3 356.187 0.385 20 0 FCADHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776503641 668266672 /nfs/dbraw/zinc/26/66/72/668266672.db2.gz PRGOQDNETIKEND-SSDOTTSWSA-N -2 3 366.779 0.290 20 0 FCADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776537882 668269069 /nfs/dbraw/zinc/26/90/69/668269069.db2.gz NSAKTVVWEQREGL-SSDOTTSWSA-N -2 3 350.780 0.911 20 0 FCADHL C/C=C(/C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784895028 668680929 /nfs/dbraw/zinc/68/09/29/668680929.db2.gz AQXVDZGNKJVFOI-YWEYNIOJSA-N -2 3 350.393 0.968 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC ZINC000788699368 668838807 /nfs/dbraw/zinc/83/88/07/668838807.db2.gz VLAWEOKODUXPMR-ZETCQYMHSA-N -2 3 366.779 0.290 20 0 FCADHL Nc1nc(Cl)cc(=N[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)[nH]1 ZINC000790398988 668876200 /nfs/dbraw/zinc/87/62/00/668876200.db2.gz YNHKUFFICKIUQL-UHFFFAOYSA-N -2 3 361.742 0.855 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000821671007 669209384 /nfs/dbraw/zinc/20/93/84/669209384.db2.gz CJOUZVKOASKNOW-UHFFFAOYSA-N -2 3 373.401 0.367 20 0 FCADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000799679222 669308732 /nfs/dbraw/zinc/30/87/32/669308732.db2.gz JLJSSDPBUDDNIR-UHFFFAOYSA-N -2 3 359.367 0.834 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H](C)C1 ZINC000826279098 669488836 /nfs/dbraw/zinc/48/88/36/669488836.db2.gz FPBKUWTYOJAHOU-PWSUYJOCSA-N -2 3 365.415 0.795 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H](C)C1 ZINC000826279098 669488842 /nfs/dbraw/zinc/48/88/42/669488842.db2.gz FPBKUWTYOJAHOU-PWSUYJOCSA-N -2 3 365.415 0.795 20 0 FCADHL O=S(=O)([N-][C@@H]1CCCOCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488406 669495063 /nfs/dbraw/zinc/49/50/63/669495063.db2.gz PBEUJUMLWLMUHP-SECBINFHSA-N -2 3 359.358 0.992 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)ccc1F ZINC000831029407 669821637 /nfs/dbraw/zinc/82/16/37/669821637.db2.gz QWTAOPLBTNVEEJ-UHFFFAOYSA-N -2 3 374.390 0.488 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)s1 ZINC000831444716 669846082 /nfs/dbraw/zinc/84/60/82/669846082.db2.gz MQJJOQSOXPJVRK-UHFFFAOYSA-N -2 3 363.413 0.837 20 0 FCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000833721848 669937370 /nfs/dbraw/zinc/93/73/70/669937370.db2.gz UNBZBOMQPCDOCF-NSHDSACASA-N -2 3 352.390 0.088 20 0 FCADHL Cn1cnc([N-]C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)n1 ZINC000817149095 670001519 /nfs/dbraw/zinc/00/15/19/670001519.db2.gz FCZRLPCMJBKZBZ-UHFFFAOYSA-N -2 3 357.342 0.786 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1F ZINC000817873431 670045775 /nfs/dbraw/zinc/04/57/75/670045775.db2.gz LGVOKQSZNURSJQ-KOLCDFICSA-N -2 3 358.391 0.917 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1F ZINC000817873433 670045819 /nfs/dbraw/zinc/04/58/19/670045819.db2.gz LGVOKQSZNURSJQ-ONGXEEELSA-N -2 3 358.391 0.917 20 0 FCADHL O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837288805 670094552 /nfs/dbraw/zinc/09/45/52/670094552.db2.gz QQWIHPWBDCBUJZ-LURJTMIESA-N -2 3 359.585 0.221 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)ccc1F ZINC000843336840 670799806 /nfs/dbraw/zinc/79/98/06/670799806.db2.gz BUKDEHVYKVDQIA-UHFFFAOYSA-N -2 3 374.390 0.345 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@]2(O)CCCOC2)c(F)cc1F ZINC000844901296 670954713 /nfs/dbraw/zinc/95/47/13/670954713.db2.gz GCAUEPDEIJQLGE-CQSZACIVSA-N -2 3 365.354 0.873 20 0 FCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000848676690 671289405 /nfs/dbraw/zinc/28/94/05/671289405.db2.gz YLYMMLMPQPWULG-MRVPVSSYSA-N -3 3 363.319 0.127 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)CCCF)cc1F ZINC000850900469 671416283 /nfs/dbraw/zinc/41/62/83/671416283.db2.gz APQMBRZJFIWOKX-UHFFFAOYSA-N -2 3 356.372 0.752 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-] ZINC000863407953 672122195 /nfs/dbraw/zinc/12/21/95/672122195.db2.gz LDKGFIYDPLCNRN-ZETCQYMHSA-N -2 3 364.763 0.232 20 0 FCADHL O=C(c1ncccc1[O-])N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001021442631 1169350586 /nfs/dbraw/zinc/35/05/86/1169350586.db2.gz RRQAMIXSXAKDAU-NWDGAFQWSA-N -2 3 354.366 0.875 20 0 FCADHL O=C(c1cnc[n-]c1=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]2C1 ZINC000986296885 1190948180 /nfs/dbraw/zinc/94/81/80/1190948180.db2.gz ATAQQHJVKDXLCL-NEPJUHHUSA-N -2 3 369.381 0.517 20 0 FCADHL O=S(=O)([N-]c1ccc(OC2COC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566505 1206481871 /nfs/dbraw/zinc/48/18/71/1206481871.db2.gz OCWNJTJAUORTRZ-UHFFFAOYSA-N -2 3 374.382 0.840 20 0 FCADHL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ccc([O-])cc1F ZINC001186339554 1206496248 /nfs/dbraw/zinc/49/62/48/1206496248.db2.gz KGUOVJUKQYOLMS-ZDUSSCGKSA-N -2 3 364.333 0.186 20 0 FCADHL O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)c1ccc([O-])cc1F ZINC001186339554 1206496250 /nfs/dbraw/zinc/49/62/50/1206496250.db2.gz KGUOVJUKQYOLMS-ZDUSSCGKSA-N -2 3 364.333 0.186 20 0 FCADHL O=C([O-])C[C@@H](O)C(=O)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228119001 1225895823 /nfs/dbraw/zinc/89/58/23/1225895823.db2.gz ALMLNEKHDUXBOK-CYBMUJFWSA-N -3 3 362.290 0.775 20 0 FCADHL CN(C)CCC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001229304083 1225999890 /nfs/dbraw/zinc/99/98/90/1225999890.db2.gz ZDKFSMSWHMSPFP-IUODEOHRSA-N -2 3 367.354 0.263 20 0 FCADHL CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1ccccc1[O-] ZINC000941224683 1246508675 /nfs/dbraw/zinc/50/86/75/1246508675.db2.gz YQTSZBHLGBKDOC-IUODEOHRSA-N -2 3 357.366 0.762 20 0 FCADHL C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001580350726 1278152812 /nfs/dbraw/zinc/15/28/12/1278152812.db2.gz KXAVAGUVPUFPKK-MWLCHTKSSA-N -2 3 367.373 0.012 20 0 FCADHL C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001580350726 1278152814 /nfs/dbraw/zinc/15/28/14/1278152814.db2.gz KXAVAGUVPUFPKK-MWLCHTKSSA-N -2 3 367.373 0.012 20 0 FCADHL COc1ccccc1CO[N-]C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001323809437 1264519451 /nfs/dbraw/zinc/51/94/51/1264519451.db2.gz VNNCLQBIANXHNP-UHFFFAOYSA-N -2 3 373.291 0.696 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1=O ZINC001574243105 1271114581 /nfs/dbraw/zinc/11/45/81/1271114581.db2.gz OEESWQPHLSKZAD-UHFFFAOYSA-N -2 3 361.431 0.933 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1=O ZINC001574243105 1271114584 /nfs/dbraw/zinc/11/45/84/1271114584.db2.gz OEESWQPHLSKZAD-UHFFFAOYSA-N -2 3 361.431 0.933 20 0 FCADHL C[C@@H](CCNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1ncccc1[O-] ZINC001574664071 1271465233 /nfs/dbraw/zinc/46/52/33/1271465233.db2.gz UPDMMSGURWRCCA-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL C[C@@H](CCNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1ncccc1[O-] ZINC001574664071 1271465237 /nfs/dbraw/zinc/46/52/37/1271465237.db2.gz UPDMMSGURWRCCA-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001580662483 1278665034 /nfs/dbraw/zinc/66/50/34/1278665034.db2.gz STTQVYFWDDHUHE-JTQLQIEISA-N -2 3 367.373 0.074 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001580662483 1278665042 /nfs/dbraw/zinc/66/50/42/1278665042.db2.gz STTQVYFWDDHUHE-JTQLQIEISA-N -2 3 367.373 0.074 20 0 FCADHL C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001575445021 1272116752 /nfs/dbraw/zinc/11/67/52/1272116752.db2.gz POOVFVPRDBKNGY-DTWKUNHWSA-N -2 3 355.362 0.833 20 0 FCADHL C[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1nn(C)cc1[O-] ZINC001575492442 1272166097 /nfs/dbraw/zinc/16/60/97/1272166097.db2.gz WQOJUGGMOWSXRZ-UWVGGRQHSA-N -2 3 357.374 0.951 20 0 FCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001575492443 1272167198 /nfs/dbraw/zinc/16/71/98/1272167198.db2.gz WQOJUGGMOWSXRZ-VHSXEESVSA-N -2 3 357.374 0.951 20 0 FCADHL C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1ncccc1[O-] ZINC001576043036 1272762943 /nfs/dbraw/zinc/76/29/43/1272762943.db2.gz XSKOJXVAZDRCSR-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1ncccc1[O-] ZINC001576043036 1272762955 /nfs/dbraw/zinc/76/29/55/1272762955.db2.gz XSKOJXVAZDRCSR-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576351193 1273174573 /nfs/dbraw/zinc/17/45/73/1273174573.db2.gz KTKWMPOAPRWFRB-CMPLNLGQSA-N -2 3 366.385 0.935 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576918373 1273937500 /nfs/dbraw/zinc/93/75/00/1273937500.db2.gz NTLRJRNPKYNBIB-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576918373 1273937506 /nfs/dbraw/zinc/93/75/06/1273937506.db2.gz NTLRJRNPKYNBIB-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL Cc1cc(=O)n2nc(NC(=O)c3ccc(-c4nnn[n-]4)c(Cl)n3)[n-]c2n1 ZINC001580767781 1278895434 /nfs/dbraw/zinc/89/54/34/1278895434.db2.gz ALZDOFXCIDUPRH-UHFFFAOYSA-N -2 3 372.736 0.207 20 0 FCADHL Cc1cc(=O)n2nc(NC(=O)c3ccc(-c4nn[n-]n4)c(Cl)n3)[n-]c2n1 ZINC001580767781 1278895442 /nfs/dbraw/zinc/89/54/42/1278895442.db2.gz ALZDOFXCIDUPRH-UHFFFAOYSA-N -2 3 372.736 0.207 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1nc(C)ccc1-c1nnn[n-]1 ZINC001578101731 1275405128 /nfs/dbraw/zinc/40/51/28/1275405128.db2.gz RDQKQVFOAWUNPP-UHFFFAOYSA-N -2 3 368.401 0.927 20 0 FCADHL CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)c1ncccc1[O-] ZINC001578125289 1275426929 /nfs/dbraw/zinc/42/69/29/1275426929.db2.gz GLNCOKCRYLRAAQ-UHFFFAOYSA-N -2 3 355.362 0.332 20 0 FCADHL CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)c1ncccc1[O-] ZINC001578125289 1275426932 /nfs/dbraw/zinc/42/69/32/1275426932.db2.gz GLNCOKCRYLRAAQ-UHFFFAOYSA-N -2 3 355.362 0.332 20 0 FCADHL CCN(c1nccnc1-c1nnn[n-]1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001578208405 1275499914 /nfs/dbraw/zinc/49/99/14/1275499914.db2.gz PQNJHBOOJLJGFR-MRVPVSSYSA-N -2 3 372.393 0.039 20 0 FCADHL CCOC(=O)CCN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)C ZINC001578245505 1275548606 /nfs/dbraw/zinc/54/86/06/1275548606.db2.gz UFKVUJKWQLASQJ-UHFFFAOYSA-N -2 3 374.405 0.779 20 0 FCADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(N)=O ZINC001578474874 1275888194 /nfs/dbraw/zinc/88/81/94/1275888194.db2.gz YWJVIVPVKGYRBU-WKEGUHRASA-N -2 3 374.373 0.323 20 0 FCADHL CN(C(=O)CNC(=O)c1ncccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001578878282 1276406509 /nfs/dbraw/zinc/40/65/09/1276406509.db2.gz MUHLVHJFWOCAIS-UHFFFAOYSA-N -2 3 353.342 0.360 20 0 FCADHL CN(C(=O)c1ccccc1[O-])C1CC(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001578932883 1276472609 /nfs/dbraw/zinc/47/26/09/1276472609.db2.gz ZNCPDUIFFZJPIN-UHFFFAOYSA-N -2 3 366.385 0.499 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC001579127165 1276812334 /nfs/dbraw/zinc/81/23/34/1276812334.db2.gz OLJUHQDSHHEFTM-UHFFFAOYSA-N -2 3 354.374 0.619 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC001579127165 1276812350 /nfs/dbraw/zinc/81/23/50/1276812350.db2.gz OLJUHQDSHHEFTM-UHFFFAOYSA-N -2 3 354.374 0.619 20 0 FCADHL CN(CCNC(=O)c1ncccc1[O-])c1ncc(-c2nnn[n-]2)cc1Cl ZINC001579204752 1276991263 /nfs/dbraw/zinc/99/12/63/1276991263.db2.gz SSZYFKSGXAPDBW-UHFFFAOYSA-N -2 3 374.792 0.882 20 0 FCADHL CN(CCNC(=O)c1ncccc1[O-])c1ncc(-c2nn[n-]n2)cc1Cl ZINC001579204752 1276991267 /nfs/dbraw/zinc/99/12/67/1276991267.db2.gz SSZYFKSGXAPDBW-UHFFFAOYSA-N -2 3 374.792 0.882 20 0 FCADHL COc1ccc([O-])c(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001580046736 1277999171 /nfs/dbraw/zinc/99/91/71/1277999171.db2.gz QBWGZUXSPMJODA-UHFFFAOYSA-N -2 3 362.371 0.454 20 0 FCADHL Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001580932901 1279145990 /nfs/dbraw/zinc/14/59/90/1279145990.db2.gz MDMSSJQBRXXUNK-UHFFFAOYSA-N -2 3 350.339 0.869 20 0 FCADHL Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001580932901 1279145995 /nfs/dbraw/zinc/14/59/95/1279145995.db2.gz MDMSSJQBRXXUNK-UHFFFAOYSA-N -2 3 350.339 0.869 20 0 FCADHL Cc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)ncc1-c1nnn[n-]1 ZINC001580985224 1279182844 /nfs/dbraw/zinc/18/28/44/1279182844.db2.gz SWGHKUNMZLWKPJ-UHFFFAOYSA-N -2 3 374.386 0.589 20 0 FCADHL Cc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)ncc1-c1nn[n-]n1 ZINC001580985224 1279182845 /nfs/dbraw/zinc/18/28/45/1279182845.db2.gz SWGHKUNMZLWKPJ-UHFFFAOYSA-N -2 3 374.386 0.589 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001581054885 1279298695 /nfs/dbraw/zinc/29/86/95/1279298695.db2.gz KNGAAYKRUPWUOC-NSHDSACASA-N -2 3 368.401 0.925 20 0 FCADHL CC(C)COCCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001603303556 1287351717 /nfs/dbraw/zinc/35/17/17/1287351717.db2.gz PGRSKMNRAUPIKH-UHFFFAOYSA-N -2 3 353.404 0.734 20 0 FCADHL CC(C)COCCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001603303556 1287351718 /nfs/dbraw/zinc/35/17/18/1287351718.db2.gz PGRSKMNRAUPIKH-UHFFFAOYSA-N -2 3 353.404 0.734 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001603382155 1287364034 /nfs/dbraw/zinc/36/40/34/1287364034.db2.gz OJYROFRYXWHABE-LLVKDONJSA-N -2 3 357.367 0.534 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001603382155 1287364039 /nfs/dbraw/zinc/36/40/39/1287364039.db2.gz OJYROFRYXWHABE-LLVKDONJSA-N -2 3 357.367 0.534 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C2CC2)c1[O-] ZINC001581391791 1279823399 /nfs/dbraw/zinc/82/33/99/1279823399.db2.gz WVMLRNQRMLDUKG-GFCCVEGCSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)c1[O-] ZINC001581391791 1279823404 /nfs/dbraw/zinc/82/34/04/1279823404.db2.gz WVMLRNQRMLDUKG-GFCCVEGCSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1[O-] ZINC001581391972 1279824635 /nfs/dbraw/zinc/82/46/35/1279824635.db2.gz QKDKWILTFZJZGQ-SNVBAGLBSA-N -2 3 369.389 0.255 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1[O-] ZINC001581391972 1279824638 /nfs/dbraw/zinc/82/46/38/1279824638.db2.gz QKDKWILTFZJZGQ-SNVBAGLBSA-N -2 3 369.389 0.255 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2ncccc2-c2nn[n-]n2)C(C)C)c1[O-] ZINC001581392211 1279825314 /nfs/dbraw/zinc/82/53/14/1279825314.db2.gz ZZNJHFXJKAKMGC-NSHDSACASA-N -2 3 371.405 0.865 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nc1 ZINC001603508262 1287394461 /nfs/dbraw/zinc/39/44/61/1287394461.db2.gz NQAYINHSVAEKNW-JTQLQIEISA-N -2 3 354.374 0.935 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nc1 ZINC001603508262 1287394463 /nfs/dbraw/zinc/39/44/63/1287394463.db2.gz NQAYINHSVAEKNW-JTQLQIEISA-N -2 3 354.374 0.935 20 0 FCADHL Cc1noc([C@H]([N-]S(=O)(=O)c2cccnc2-c2nnn[n-]2)C(C)C)n1 ZINC001581628201 1280287910 /nfs/dbraw/zinc/28/79/10/1280287910.db2.gz ZJYVTCQIZAAGGO-SNVBAGLBSA-N -2 3 364.391 0.629 20 0 FCADHL Cc1noc([C@H]([N-]S(=O)(=O)c2cccnc2-c2nn[n-]n2)C(C)C)n1 ZINC001581628201 1280287921 /nfs/dbraw/zinc/28/79/21/1280287921.db2.gz ZJYVTCQIZAAGGO-SNVBAGLBSA-N -2 3 364.391 0.629 20 0 FCADHL Cc1nsc(N(C)CCNC(=O)c2ncccc2[O-])c1-c1nnn[n-]1 ZINC001581664800 1280373963 /nfs/dbraw/zinc/37/39/63/1280373963.db2.gz MKRGSJNNAXSOFT-UHFFFAOYSA-N -2 3 360.403 0.598 20 0 FCADHL Cc1nsc(N(C)CCNC(=O)c2ncccc2[O-])c1-c1nn[n-]n1 ZINC001581664800 1280373969 /nfs/dbraw/zinc/37/39/69/1280373969.db2.gz MKRGSJNNAXSOFT-UHFFFAOYSA-N -2 3 360.403 0.598 20 0 FCADHL CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603601972 1287435598 /nfs/dbraw/zinc/43/55/98/1287435598.db2.gz GKPURLRFYAKNQP-ZWNOBZJWSA-N -2 3 374.401 0.517 20 0 FCADHL CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603601972 1287435605 /nfs/dbraw/zinc/43/56/05/1287435605.db2.gz GKPURLRFYAKNQP-ZWNOBZJWSA-N -2 3 374.401 0.517 20 0 FCADHL O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)nc2)C1)c1ncccc1[O-] ZINC001582258142 1281219444 /nfs/dbraw/zinc/21/94/44/1281219444.db2.gz ONPHQDYSQVOOGR-UHFFFAOYSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)nc2)C1)c1ncccc1[O-] ZINC001582258142 1281219449 /nfs/dbraw/zinc/21/94/49/1281219449.db2.gz ONPHQDYSQVOOGR-UHFFFAOYSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)c1ncccc1[O-] ZINC001582445717 1281543842 /nfs/dbraw/zinc/54/38/42/1281543842.db2.gz BKVPHWJZQDJTQT-LLVKDONJSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)c1ncccc1[O-] ZINC001582445717 1281543849 /nfs/dbraw/zinc/54/38/49/1281543849.db2.gz BKVPHWJZQDJTQT-LLVKDONJSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NC[C@@H]1CCCN1c1ccnc(-c2nnn[n-]2)n1)c1ccccc1[O-] ZINC001582447766 1281549632 /nfs/dbraw/zinc/54/96/32/1281549632.db2.gz SXCNSLLFOJQALK-NSHDSACASA-N -2 3 366.385 0.761 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001603830379 1287510194 /nfs/dbraw/zinc/51/01/94/1287510194.db2.gz IKOJWEKREDMLJZ-APPZFPTMSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001603844632 1287516452 /nfs/dbraw/zinc/51/64/52/1287516452.db2.gz GWURDWMWNRNLMG-RKDXNWHRSA-N -2 3 369.378 0.737 20 0 FCADHL O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1c[n-]n2c1nccc2=O ZINC001582542680 1281737554 /nfs/dbraw/zinc/73/75/54/1281737554.db2.gz LOLGGLRQGKVAIJ-UHFFFAOYSA-N -2 3 354.305 0.272 20 0 FCADHL O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1c[n-]n2c1nccc2=O ZINC001582542680 1281737560 /nfs/dbraw/zinc/73/75/60/1281737560.db2.gz LOLGGLRQGKVAIJ-UHFFFAOYSA-N -2 3 354.305 0.272 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ncccc1[O-] ZINC001582601846 1281792437 /nfs/dbraw/zinc/79/24/37/1281792437.db2.gz GPWQVURXRLSKNR-DTORHVGOSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ncccc1[O-] ZINC001582601846 1281792440 /nfs/dbraw/zinc/79/24/40/1281792440.db2.gz GPWQVURXRLSKNR-DTORHVGOSA-N -2 3 353.346 0.130 20 0 FCADHL C[C@H]1CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1C(=O)[O-] ZINC001603920605 1287535015 /nfs/dbraw/zinc/53/50/15/1287535015.db2.gz KCDWLXXFMUTYEA-FZMZJTMJSA-N -2 3 374.401 0.998 20 0 FCADHL O=S(=O)([N-]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001582796177 1282017372 /nfs/dbraw/zinc/01/73/72/1282017372.db2.gz DVQKSXMPMPFJCP-KCJUWKMLSA-N -2 3 361.330 0.552 20 0 FCADHL O=S(=O)([N-]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001582796177 1282017374 /nfs/dbraw/zinc/01/73/74/1282017374.db2.gz DVQKSXMPMPFJCP-KCJUWKMLSA-N -2 3 361.330 0.552 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604095249 1287570007 /nfs/dbraw/zinc/57/00/07/1287570007.db2.gz AYSOIKWSRCIFIZ-OLZOCXBDSA-N -2 3 365.415 0.882 20 0 FCADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)nc1 ZINC001588878913 1282722791 /nfs/dbraw/zinc/72/27/91/1282722791.db2.gz OQMUWRQQYFFOTO-UHFFFAOYSA-N -2 3 360.359 0.416 20 0 FCADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)nc1 ZINC001588878913 1282722797 /nfs/dbraw/zinc/72/27/97/1282722797.db2.gz OQMUWRQQYFFOTO-UHFFFAOYSA-N -2 3 360.359 0.416 20 0 FCADHL CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(C)cc(F)cc1-c1nnn[n-]1 ZINC001604268557 1287597265 /nfs/dbraw/zinc/59/72/65/1287597265.db2.gz RGNMRSGIZYCRLO-QMMMGPOBSA-N -2 3 357.367 0.798 20 0 FCADHL CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cn1)C(=O)[O-] ZINC001589553350 1282908322 /nfs/dbraw/zinc/90/83/22/1282908322.db2.gz XICSQXHFDKDRRN-JTQLQIEISA-N -2 3 361.362 0.063 20 0 FCADHL CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC001589553350 1282908332 /nfs/dbraw/zinc/90/83/32/1282908332.db2.gz XICSQXHFDKDRRN-JTQLQIEISA-N -2 3 361.362 0.063 20 0 FCADHL CC(C)C[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001589563352 1282910858 /nfs/dbraw/zinc/91/08/58/1282910858.db2.gz ZWCCDOHPGKQTNC-GFCCVEGCSA-N -2 3 371.394 0.925 20 0 FCADHL CC(C)C[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001589563353 1282912219 /nfs/dbraw/zinc/91/22/19/1282912219.db2.gz ZWCCDOHPGKQTNC-LBPRGKRZSA-N -2 3 371.394 0.925 20 0 FCADHL C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001604350325 1287610190 /nfs/dbraw/zinc/61/01/90/1287610190.db2.gz FNKAGPBKGVVTNT-VHSXEESVSA-N -2 3 373.431 0.781 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C(=O)[O-] ZINC001589762887 1282985094 /nfs/dbraw/zinc/98/50/94/1282985094.db2.gz DHCVNBSHTHCXGH-SNVBAGLBSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@H](CCCC(=O)[O-])NS(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001589804733 1283019155 /nfs/dbraw/zinc/01/91/55/1283019155.db2.gz LLJDMSKUYPPISD-SNVBAGLBSA-N -2 3 353.404 0.930 20 0 FCADHL C[C@H](CCCC(=O)[O-])NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001589804733 1283019169 /nfs/dbraw/zinc/01/91/69/1283019169.db2.gz LLJDMSKUYPPISD-SNVBAGLBSA-N -2 3 353.404 0.930 20 0 FCADHL C[C@@H](CCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589818728 1283056535 /nfs/dbraw/zinc/05/65/35/1283056535.db2.gz TUZCQSWYHZRSLR-QMMMGPOBSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@@H](CCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589818728 1283056541 /nfs/dbraw/zinc/05/65/41/1283056541.db2.gz TUZCQSWYHZRSLR-QMMMGPOBSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589918698 1283129924 /nfs/dbraw/zinc/12/99/24/1283129924.db2.gz OGRJQVHEOBGRCJ-JIMOISOXSA-N -2 3 372.385 0.413 20 0 FCADHL C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589918698 1283129927 /nfs/dbraw/zinc/12/99/27/1283129927.db2.gz OGRJQVHEOBGRCJ-JIMOISOXSA-N -2 3 372.385 0.413 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001590101114 1283213866 /nfs/dbraw/zinc/21/38/66/1283213866.db2.gz XKBJAPXGBZNXSD-NSHDSACASA-N -2 3 351.388 0.741 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001590101114 1283213867 /nfs/dbraw/zinc/21/38/67/1283213867.db2.gz XKBJAPXGBZNXSD-NSHDSACASA-N -2 3 351.388 0.741 20 0 FCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001590142513 1283240062 /nfs/dbraw/zinc/24/00/62/1283240062.db2.gz FWYRCPMDKUWSRX-LBPRGKRZSA-N -2 3 357.296 0.478 20 0 FCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(-c3nn[n-]n3)ccn2)C1 ZINC001590143310 1283240199 /nfs/dbraw/zinc/24/01/99/1283240199.db2.gz XTROLZSODLSLLU-CYBMUJFWSA-N -2 3 369.307 0.545 20 0 FCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(-c3nn[n-]n3)ccn2)C1 ZINC001590143311 1283241192 /nfs/dbraw/zinc/24/11/92/1283241192.db2.gz XTROLZSODLSLLU-ZDUSSCGKSA-N -2 3 369.307 0.545 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590146623 1283245314 /nfs/dbraw/zinc/24/53/14/1283245314.db2.gz GTFRAAZPUAIIDB-QGZVFWFLSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590146623 1283245322 /nfs/dbraw/zinc/24/53/22/1283245322.db2.gz GTFRAAZPUAIIDB-QGZVFWFLSA-N -2 3 366.385 0.761 20 0 FCADHL Cc1[n-]n(-c2cccc(-c3nn[n-]n3)c2)c(=O)c1[C@H]1CCS(=O)(=O)C1 ZINC001590162561 1283254493 /nfs/dbraw/zinc/25/44/93/1283254493.db2.gz YZVXIQCLARHIEJ-WCQYABFASA-N -2 3 360.399 0.640 20 0 FCADHL Cc1[n-]n(-c2cccc(-c3nn[n-]n3)c2)c(=O)c1[C@@H]1CCS(=O)(=O)C1 ZINC001590162562 1283255589 /nfs/dbraw/zinc/25/55/89/1283255589.db2.gz YZVXIQCLARHIEJ-YPMHNXCESA-N -2 3 360.399 0.640 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001590186118 1283292847 /nfs/dbraw/zinc/29/28/47/1283292847.db2.gz RTYDYSWUEFOKQB-VHSXEESVSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001590186118 1283292858 /nfs/dbraw/zinc/29/28/58/1283292858.db2.gz RTYDYSWUEFOKQB-VHSXEESVSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)O1 ZINC001590189894 1283294214 /nfs/dbraw/zinc/29/42/14/1283294214.db2.gz DFNFWMSIZNOTGO-YGOYTEALSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)O1 ZINC001590189894 1283294222 /nfs/dbraw/zinc/29/42/22/1283294222.db2.gz DFNFWMSIZNOTGO-YGOYTEALSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590225089 1283354692 /nfs/dbraw/zinc/35/46/92/1283354692.db2.gz BXWBCEDZKQDBTK-BDAKNGLRSA-N -2 3 352.376 0.136 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590225089 1283354706 /nfs/dbraw/zinc/35/47/06/1283354706.db2.gz BXWBCEDZKQDBTK-BDAKNGLRSA-N -2 3 352.376 0.136 20 0 FCADHL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001590238082 1283371905 /nfs/dbraw/zinc/37/19/05/1283371905.db2.gz FNMJJKSKUJIKCR-ZJUUUORDSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001590238082 1283371918 /nfs/dbraw/zinc/37/19/18/1283371918.db2.gz FNMJJKSKUJIKCR-ZJUUUORDSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@@H](C(=O)[O-])C1 ZINC001590277332 1283404849 /nfs/dbraw/zinc/40/48/49/1283404849.db2.gz VNKBWJQCZNPZHE-PRHODGIISA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590301356 1283438784 /nfs/dbraw/zinc/43/87/84/1283438784.db2.gz CFVMPIOHZUJNPH-GXSJLCMTSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590301356 1283438789 /nfs/dbraw/zinc/43/87/89/1283438789.db2.gz CFVMPIOHZUJNPH-GXSJLCMTSA-N -2 3 367.373 0.330 20 0 FCADHL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604417383 1287642212 /nfs/dbraw/zinc/64/22/12/1287642212.db2.gz MYSGWBZELWFUNH-RYUDHWBXSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604417383 1287642218 /nfs/dbraw/zinc/64/22/18/1287642218.db2.gz MYSGWBZELWFUNH-RYUDHWBXSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC[C@@H]1C(=O)[O-] ZINC001590315023 1283456920 /nfs/dbraw/zinc/45/69/20/1283456920.db2.gz LDGIYXBDVRNSKV-SCZZXKLOSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[C@@H]1C(=O)[O-] ZINC001590315023 1283456925 /nfs/dbraw/zinc/45/69/25/1283456925.db2.gz LDGIYXBDVRNSKV-SCZZXKLOSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001590312622 1283457721 /nfs/dbraw/zinc/45/77/21/1283457721.db2.gz JTZODLDBOOUACY-KBVBSXBZSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001590312622 1283457724 /nfs/dbraw/zinc/45/77/24/1283457724.db2.gz JTZODLDBOOUACY-KBVBSXBZSA-N -2 3 367.387 0.118 20 0 FCADHL CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cscn1 ZINC001590342984 1283489440 /nfs/dbraw/zinc/48/94/40/1283489440.db2.gz BNEKUHMYSMOBJC-QMMMGPOBSA-N -2 3 350.418 0.997 20 0 FCADHL CCC(C)(C)OCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590379066 1283508384 /nfs/dbraw/zinc/50/83/84/1283508384.db2.gz PNRIBJFYVRHYFT-UHFFFAOYSA-N -2 3 353.404 0.877 20 0 FCADHL CCC(C)(C)OCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590379066 1283508391 /nfs/dbraw/zinc/50/83/91/1283508391.db2.gz PNRIBJFYVRHYFT-UHFFFAOYSA-N -2 3 353.404 0.877 20 0 FCADHL CC[C@](C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001590382947 1283511071 /nfs/dbraw/zinc/51/10/71/1283511071.db2.gz XKVPZWZYOZLDHL-CYBMUJFWSA-N -2 3 357.367 0.785 20 0 FCADHL CC[C@H](CCC(=O)[O-])NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590436662 1283534080 /nfs/dbraw/zinc/53/40/80/1283534080.db2.gz YEYOKZFOYACXIU-GFCCVEGCSA-N -2 3 353.404 0.930 20 0 FCADHL CCC(CC)(CNC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001590427050 1283535442 /nfs/dbraw/zinc/53/54/42/1283535442.db2.gz PZGIJLRJTWWQCH-UHFFFAOYSA-N -2 3 374.401 0.490 20 0 FCADHL CCC(CC)(CNC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001590427050 1283535447 /nfs/dbraw/zinc/53/54/47/1283535447.db2.gz PZGIJLRJTWWQCH-UHFFFAOYSA-N -2 3 374.401 0.490 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)COC1 ZINC001590488892 1283561636 /nfs/dbraw/zinc/56/16/36/1283561636.db2.gz PTKWUBVAKLCCNH-UHFFFAOYSA-N -2 3 369.378 0.378 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)COC1 ZINC001590488892 1283561649 /nfs/dbraw/zinc/56/16/49/1283561649.db2.gz PTKWUBVAKLCCNH-UHFFFAOYSA-N -2 3 369.378 0.378 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590499567 1283568148 /nfs/dbraw/zinc/56/81/48/1283568148.db2.gz MAUMZFOYUAQRAY-GHMZBOCLSA-N -2 3 352.376 0.136 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590499567 1283568154 /nfs/dbraw/zinc/56/81/54/1283568154.db2.gz MAUMZFOYUAQRAY-GHMZBOCLSA-N -2 3 352.376 0.136 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590506315 1283574553 /nfs/dbraw/zinc/57/45/53/1283574553.db2.gz ZOOMRVNEXGSEIF-KOLCDFICSA-N -2 3 352.376 0.278 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590506315 1283574556 /nfs/dbraw/zinc/57/45/56/1283574556.db2.gz ZOOMRVNEXGSEIF-KOLCDFICSA-N -2 3 352.376 0.278 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)O1 ZINC001590505980 1283576858 /nfs/dbraw/zinc/57/68/58/1283576858.db2.gz RMTJNOGKJONNQT-GXSJLCMTSA-N -2 3 352.376 0.024 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)O1 ZINC001590505980 1283576863 /nfs/dbraw/zinc/57/68/63/1283576863.db2.gz RMTJNOGKJONNQT-GXSJLCMTSA-N -2 3 352.376 0.024 20 0 FCADHL CCN(CC)S(=O)(=O)N(CC(=O)[O-])Cc1cccc(-c2nn[n-]n2)c1 ZINC001590688382 1283732199 /nfs/dbraw/zinc/73/21/99/1283732199.db2.gz HKHQJNKUPVJYLT-UHFFFAOYSA-N -2 3 368.419 0.340 20 0 FCADHL CCc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2OC)no1 ZINC001604569811 1287667464 /nfs/dbraw/zinc/66/74/64/1287667464.db2.gz RYVCDOOHHJXLQB-UHFFFAOYSA-N -2 3 351.348 0.622 20 0 FCADHL CCc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2OC)no1 ZINC001604569811 1287667467 /nfs/dbraw/zinc/66/74/67/1287667467.db2.gz RYVCDOOHHJXLQB-UHFFFAOYSA-N -2 3 351.348 0.622 20 0 FCADHL CCO[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590782953 1283838883 /nfs/dbraw/zinc/83/88/83/1283838883.db2.gz CBXIZAFZVJBJTR-GFCCVEGCSA-N -2 3 353.404 0.628 20 0 FCADHL CCO[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590782953 1283838889 /nfs/dbraw/zinc/83/88/89/1283838889.db2.gz CBXIZAFZVJBJTR-GFCCVEGCSA-N -2 3 353.404 0.628 20 0 FCADHL CCOC1CC(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001590786534 1283844501 /nfs/dbraw/zinc/84/45/01/1283844501.db2.gz OABJIOMNRSEGSC-UHFFFAOYSA-N -2 3 351.388 0.487 20 0 FCADHL CCOC1CC(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001590786534 1283844511 /nfs/dbraw/zinc/84/45/11/1283844511.db2.gz OABJIOMNRSEGSC-UHFFFAOYSA-N -2 3 351.388 0.487 20 0 FCADHL CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590789878 1283845728 /nfs/dbraw/zinc/84/57/28/1283845728.db2.gz DBTWNOJFRGYQJE-NEPJUHHUSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590789878 1283845737 /nfs/dbraw/zinc/84/57/37/1283845737.db2.gz DBTWNOJFRGYQJE-NEPJUHHUSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[N-]C(=O)CNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001590819001 1283900921 /nfs/dbraw/zinc/90/09/21/1283900921.db2.gz MLBJPEIKKIOJIN-UHFFFAOYSA-N -2 3 370.373 0.158 20 0 FCADHL CCO[N-]C(=O)CNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001590819001 1283900925 /nfs/dbraw/zinc/90/09/25/1283900925.db2.gz MLBJPEIKKIOJIN-UHFFFAOYSA-N -2 3 370.373 0.158 20 0 FCADHL COC(=O)[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H](C(=O)[O-])C1 ZINC001591253374 1284409043 /nfs/dbraw/zinc/40/90/43/1284409043.db2.gz SEQOCUHGXSAGGQ-ZYHUDNBSSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@@H](C(=O)[O-])C1 ZINC001591253374 1284409049 /nfs/dbraw/zinc/40/90/49/1284409049.db2.gz SEQOCUHGXSAGGQ-ZYHUDNBSSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)CC[C@@H]1CC[C@H](C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)O1 ZINC001591264814 1284421340 /nfs/dbraw/zinc/42/13/40/1284421340.db2.gz CBKGDRVXAVOWNJ-WCQYABFASA-N -2 3 361.358 0.778 20 0 FCADHL COC(=O)CC[C@@H]1CC[C@H](C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)O1 ZINC001591264814 1284421341 /nfs/dbraw/zinc/42/13/41/1284421341.db2.gz CBKGDRVXAVOWNJ-WCQYABFASA-N -2 3 361.358 0.778 20 0 FCADHL COC(=O)CCCO[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001591264167 1284421457 /nfs/dbraw/zinc/42/14/57/1284421457.db2.gz WCLGDNMMFZPTHH-CQSZACIVSA-N -2 3 374.401 0.837 20 0 FCADHL COC(=O)CCCO[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001591264165 1284421631 /nfs/dbraw/zinc/42/16/31/1284421631.db2.gz WCLGDNMMFZPTHH-AWEZNQCLSA-N -2 3 374.401 0.837 20 0 FCADHL COC(=O)c1ccnc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001591304386 1284454540 /nfs/dbraw/zinc/45/45/40/1284454540.db2.gz PKXWHIDWFAKXDQ-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1ccnc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001591304386 1284454545 /nfs/dbraw/zinc/45/45/45/1284454545.db2.gz PKXWHIDWFAKXDQ-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001591321331 1284469557 /nfs/dbraw/zinc/46/95/57/1284469557.db2.gz ZFUYVHVEHFKIHJ-JTQLQIEISA-N -2 3 353.404 0.795 20 0 FCADHL CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001591321331 1284469563 /nfs/dbraw/zinc/46/95/63/1284469563.db2.gz ZFUYVHVEHFKIHJ-JTQLQIEISA-N -2 3 353.404 0.795 20 0 FCADHL CO[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001591321332 1284469572 /nfs/dbraw/zinc/46/95/72/1284469572.db2.gz ZFUYVHVEHFKIHJ-SNVBAGLBSA-N -2 3 353.404 0.795 20 0 FCADHL CO[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001591321332 1284469575 /nfs/dbraw/zinc/46/95/75/1284469575.db2.gz ZFUYVHVEHFKIHJ-SNVBAGLBSA-N -2 3 353.404 0.795 20 0 FCADHL CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001591327434 1284473072 /nfs/dbraw/zinc/47/30/72/1284473072.db2.gz QFWONDHIBLIEGC-LLVKDONJSA-N -2 3 354.392 0.128 20 0 FCADHL CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001591327434 1284473075 /nfs/dbraw/zinc/47/30/75/1284473075.db2.gz QFWONDHIBLIEGC-LLVKDONJSA-N -2 3 354.392 0.128 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(C)n1)[C@H]1CCOC1 ZINC001591332969 1284475288 /nfs/dbraw/zinc/47/52/88/1284475288.db2.gz GTCIUYKCMGUQFK-CMPLNLGQSA-N -2 3 368.419 0.363 20 0 FCADHL CO[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001591348570 1284484992 /nfs/dbraw/zinc/48/49/92/1284484992.db2.gz WDJWDCQPEZPBOQ-GHMZBOCLSA-N -2 3 351.388 0.487 20 0 FCADHL CO[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591348570 1284484996 /nfs/dbraw/zinc/48/49/96/1284484996.db2.gz WDJWDCQPEZPBOQ-GHMZBOCLSA-N -2 3 351.388 0.487 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1cccnc1-c1nnn[n-]1)c1ccc(C)o1 ZINC001591382233 1284522080 /nfs/dbraw/zinc/52/20/80/1284522080.db2.gz GEQLNMGNYKEGCQ-SNVBAGLBSA-N -2 3 364.387 0.829 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1cccnc1-c1nn[n-]n1)c1ccc(C)o1 ZINC001591382233 1284522088 /nfs/dbraw/zinc/52/20/88/1284522088.db2.gz GEQLNMGNYKEGCQ-SNVBAGLBSA-N -2 3 364.387 0.829 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCCC1 ZINC001591385839 1284528330 /nfs/dbraw/zinc/52/83/30/1284528330.db2.gz NDMIIIIBZYXMOV-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCCC1 ZINC001591385839 1284528333 /nfs/dbraw/zinc/52/83/33/1284528333.db2.gz NDMIIIIBZYXMOV-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001591420629 1284570955 /nfs/dbraw/zinc/57/09/55/1284570955.db2.gz BBKOOERWBPLRCN-JTQLQIEISA-N -2 3 369.403 0.285 20 0 FCADHL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001591420629 1284570958 /nfs/dbraw/zinc/57/09/58/1284570958.db2.gz BBKOOERWBPLRCN-JTQLQIEISA-N -2 3 369.403 0.285 20 0 FCADHL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC001591421094 1284571414 /nfs/dbraw/zinc/57/14/14/1284571414.db2.gz ORWDRCGWQNREGC-JTQLQIEISA-N -2 3 369.403 0.285 20 0 FCADHL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC001591421094 1284571420 /nfs/dbraw/zinc/57/14/20/1284571420.db2.gz ORWDRCGWQNREGC-JTQLQIEISA-N -2 3 369.403 0.285 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C)c2)n1 ZINC001591451517 1284611969 /nfs/dbraw/zinc/61/19/69/1284611969.db2.gz SCXLKDJSMYBNQU-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C)c2)n1 ZINC001591451517 1284611980 /nfs/dbraw/zinc/61/19/80/1284611980.db2.gz SCXLKDJSMYBNQU-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL CO[N-]C(=O)CNC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591467843 1284638714 /nfs/dbraw/zinc/63/87/14/1284638714.db2.gz XSJHWOMPYGILNA-JTQLQIEISA-N -2 3 373.295 0.447 20 0 FCADHL CO[N-]C(=O)CNC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591467843 1284638727 /nfs/dbraw/zinc/63/87/27/1284638727.db2.gz XSJHWOMPYGILNA-JTQLQIEISA-N -2 3 373.295 0.447 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC001591482358 1284658677 /nfs/dbraw/zinc/65/86/77/1284658677.db2.gz ICJUOXZWUFZGRC-UHFFFAOYSA-N -2 3 364.321 0.816 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCC2 ZINC001591505762 1284692826 /nfs/dbraw/zinc/69/28/26/1284692826.db2.gz KBZHZCBAJHQLMW-JTQLQIEISA-N -2 3 363.399 0.870 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCC2 ZINC001591505762 1284692834 /nfs/dbraw/zinc/69/28/34/1284692834.db2.gz KBZHZCBAJHQLMW-JTQLQIEISA-N -2 3 363.399 0.870 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001591505889 1284693768 /nfs/dbraw/zinc/69/37/68/1284693768.db2.gz LWQHLQHDNZLHGN-PRHODGIISA-N -2 3 367.387 0.359 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001591505889 1284693784 /nfs/dbraw/zinc/69/37/84/1284693784.db2.gz LWQHLQHDNZLHGN-PRHODGIISA-N -2 3 367.387 0.359 20 0 FCADHL COc1nc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc(=O)[n-]1 ZINC001591663169 1284792482 /nfs/dbraw/zinc/79/24/82/1284792482.db2.gz WUYMSXUQWYZMDD-UHFFFAOYSA-N -2 3 358.314 0.607 20 0 FCADHL CSCCO[N-]C(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001591701677 1284841728 /nfs/dbraw/zinc/84/17/28/1284841728.db2.gz ZKJBCFBYSJZHKE-UHFFFAOYSA-N -2 3 354.367 0.033 20 0 FCADHL CSCCO[N-]C(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001591701677 1284841743 /nfs/dbraw/zinc/84/17/43/1284841743.db2.gz ZKJBCFBYSJZHKE-UHFFFAOYSA-N -2 3 354.367 0.033 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC001591870812 1284956533 /nfs/dbraw/zinc/95/65/33/1284956533.db2.gz SYPCQCMOXXXICO-SCZZXKLOSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC001591870812 1284956537 /nfs/dbraw/zinc/95/65/37/1284956537.db2.gz SYPCQCMOXXXICO-SCZZXKLOSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](C)CCC(=O)[O-] ZINC001591872389 1284960827 /nfs/dbraw/zinc/96/08/27/1284960827.db2.gz IUMHLFMOWOMXFO-SECBINFHSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](C)CCC(=O)[O-] ZINC001591872389 1284960839 /nfs/dbraw/zinc/96/08/39/1284960839.db2.gz IUMHLFMOWOMXFO-SECBINFHSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001591989845 1285045278 /nfs/dbraw/zinc/04/52/78/1285045278.db2.gz ZWNQIYCHKFZIII-AWEZNQCLSA-N -2 3 369.378 0.942 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-]CCn2cnc(-c3nnn[n-]3)n2)cc1F ZINC001591989716 1285045764 /nfs/dbraw/zinc/04/57/64/1285045764.db2.gz YVARGYVKUYJTIQ-UHFFFAOYSA-N -2 3 370.345 0.023 20 0 FCADHL Cc1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc(-c2nnn[n-]2)c1 ZINC001592013428 1285067258 /nfs/dbraw/zinc/06/72/58/1285067258.db2.gz NSGRCVZFHWTKPK-GFCCVEGCSA-N -2 3 360.374 0.587 20 0 FCADHL Cc1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc(-c2nn[n-]n2)c1 ZINC001592013428 1285067265 /nfs/dbraw/zinc/06/72/65/1285067265.db2.gz NSGRCVZFHWTKPK-GFCCVEGCSA-N -2 3 360.374 0.587 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2nc3n(n2)CCCC3)ccc1-c1nnn[n-]1 ZINC001592067298 1285106823 /nfs/dbraw/zinc/10/68/23/1285106823.db2.gz CPMBPZDTBMRPSR-UHFFFAOYSA-N -2 3 360.403 0.904 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2nc3n(n2)CCCC3)ccc1-c1nn[n-]n1 ZINC001592067298 1285106828 /nfs/dbraw/zinc/10/68/28/1285106828.db2.gz CPMBPZDTBMRPSR-UHFFFAOYSA-N -2 3 360.403 0.904 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001592109368 1285142771 /nfs/dbraw/zinc/14/27/71/1285142771.db2.gz HTVBBDDIWQBKSH-XHDPSFHLSA-N -2 3 363.399 0.407 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001592109368 1285142773 /nfs/dbraw/zinc/14/27/73/1285142773.db2.gz HTVBBDDIWQBKSH-XHDPSFHLSA-N -2 3 363.399 0.407 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](C)CO1 ZINC001592109465 1285144422 /nfs/dbraw/zinc/14/44/22/1285144422.db2.gz MUUKOUSAWXUVEU-GZMMTYOYSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](C)CO1 ZINC001592109465 1285144426 /nfs/dbraw/zinc/14/44/26/1285144426.db2.gz MUUKOUSAWXUVEU-GZMMTYOYSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCC(=O)[O-] ZINC001592110988 1285146408 /nfs/dbraw/zinc/14/64/08/1285146408.db2.gz QFPPSBCOQZNZMO-UHFFFAOYSA-N -3 3 353.360 0.235 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCC(=O)[O-] ZINC001592110988 1285146414 /nfs/dbraw/zinc/14/64/14/1285146414.db2.gz QFPPSBCOQZNZMO-UHFFFAOYSA-N -3 3 353.360 0.235 20 0 FCADHL Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c1 ZINC001592191195 1285176334 /nfs/dbraw/zinc/17/63/34/1285176334.db2.gz GIOAGAYORVODBD-QWRGUYRKSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(-c2nn[n-]n2)c1 ZINC001592191195 1285176338 /nfs/dbraw/zinc/17/63/38/1285176338.db2.gz GIOAGAYORVODBD-QWRGUYRKSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC001592215097 1285186043 /nfs/dbraw/zinc/18/60/43/1285186043.db2.gz ZSLRCOIJOQFDQJ-USWWRNFRSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC001592215097 1285186045 /nfs/dbraw/zinc/18/60/45/1285186045.db2.gz ZSLRCOIJOQFDQJ-USWWRNFRSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592234182 1285190177 /nfs/dbraw/zinc/19/01/77/1285190177.db2.gz QINGUFYGWXNEAT-LLVKDONJSA-N -2 3 374.401 0.977 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1-c1nn[n-]n1 ZINC001592234182 1285190183 /nfs/dbraw/zinc/19/01/83/1285190183.db2.gz QINGUFYGWXNEAT-LLVKDONJSA-N -2 3 374.401 0.977 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001592239147 1285193369 /nfs/dbraw/zinc/19/33/69/1285193369.db2.gz HCLISTWQVINOEZ-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001592239147 1285193373 /nfs/dbraw/zinc/19/33/73/1285193373.db2.gz HCLISTWQVINOEZ-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001592240283 1285196127 /nfs/dbraw/zinc/19/61/27/1285196127.db2.gz ZOTFJEQNVOVVCT-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001592240283 1285196132 /nfs/dbraw/zinc/19/61/32/1285196132.db2.gz ZOTFJEQNVOVVCT-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1-c1nnn[n-]1 ZINC001592239428 1285196702 /nfs/dbraw/zinc/19/67/02/1285196702.db2.gz NPNQSEKGFGYGLD-UWVGGRQHSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1-c1nn[n-]n1 ZINC001592239428 1285196705 /nfs/dbraw/zinc/19/67/05/1285196705.db2.gz NPNQSEKGFGYGLD-UWVGGRQHSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1[nH]nc(NC(=O)CSc2n[n-]c(=S)s2)c1-c1nnn[n-]1 ZINC001592328170 1285237341 /nfs/dbraw/zinc/23/73/41/1285237341.db2.gz OBKQFJWPVDCUMP-UHFFFAOYSA-N -2 3 355.434 0.769 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cnc3c(c2)COCC3)cc1-c1nnn[n-]1 ZINC001592414286 1285336172 /nfs/dbraw/zinc/33/61/72/1285336172.db2.gz DQKOGGGXDJVRCC-UHFFFAOYSA-N -2 3 373.398 0.839 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cnc3c(c2)COCC3)cc1-c1nn[n-]n1 ZINC001592414286 1285336182 /nfs/dbraw/zinc/33/61/82/1285336182.db2.gz DQKOGGGXDJVRCC-UHFFFAOYSA-N -2 3 373.398 0.839 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cc1-c1nnn[n-]1 ZINC001592415239 1285337546 /nfs/dbraw/zinc/33/75/46/1285337546.db2.gz RPTGUPKTDJJCOR-UHFFFAOYSA-N -2 3 371.382 0.614 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cc1-c1nn[n-]n1 ZINC001592415239 1285337555 /nfs/dbraw/zinc/33/75/55/1285337555.db2.gz RPTGUPKTDJJCOR-UHFFFAOYSA-N -2 3 371.382 0.614 20 0 FCADHL Cc1nn(C)c(N2CCN(c3ccc(C(=O)[O-])cn3)CC2)c1-c1nnn[n-]1 ZINC001592443325 1285380839 /nfs/dbraw/zinc/38/08/39/1285380839.db2.gz YNIIBNVUFBUKCI-UHFFFAOYSA-N -2 3 369.389 0.328 20 0 FCADHL Cc1nn(C)c(N2CCN(c3ccc(C(=O)[O-])cn3)CC2)c1-c1nn[n-]n1 ZINC001592443325 1285380847 /nfs/dbraw/zinc/38/08/47/1285380847.db2.gz YNIIBNVUFBUKCI-UHFFFAOYSA-N -2 3 369.389 0.328 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001592566778 1285481077 /nfs/dbraw/zinc/48/10/77/1285481077.db2.gz JRKQNOUEMBCGAI-UQCOIBPSSA-N -2 3 359.371 0.119 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592566778 1285481085 /nfs/dbraw/zinc/48/10/85/1285481085.db2.gz JRKQNOUEMBCGAI-UQCOIBPSSA-N -2 3 359.371 0.119 20 0 FCADHL Cn1[n-]c(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1=O ZINC001592592840 1285527820 /nfs/dbraw/zinc/52/78/20/1285527820.db2.gz IWTMOJFRGATUJX-UHFFFAOYSA-N -2 3 359.415 0.969 20 0 FCADHL Cn1[n-]c(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1=O ZINC001592592840 1285527827 /nfs/dbraw/zinc/52/78/27/1285527827.db2.gz IWTMOJFRGATUJX-UHFFFAOYSA-N -2 3 359.415 0.969 20 0 FCADHL NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592716544 1285603761 /nfs/dbraw/zinc/60/37/61/1285603761.db2.gz LVZSAKCSGSYQSR-NEPJUHHUSA-N -2 3 369.389 0.096 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC001609254244 1289020882 /nfs/dbraw/zinc/02/08/82/1289020882.db2.gz RTZVTVRGMQPDMM-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC001609254244 1289020889 /nfs/dbraw/zinc/02/08/89/1289020889.db2.gz RTZVTVRGMQPDMM-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL O=C(CCc1ncccn1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001592856156 1285759426 /nfs/dbraw/zinc/75/94/26/1285759426.db2.gz IBCVRZFCELBGCQ-UHFFFAOYSA-N -2 3 373.398 0.236 20 0 FCADHL O=C(CCc1ncccn1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001592856156 1285759430 /nfs/dbraw/zinc/75/94/30/1285759430.db2.gz IBCVRZFCELBGCQ-UHFFFAOYSA-N -2 3 373.398 0.236 20 0 FCADHL O=C(COC(=O)c1ccnc(-c2nnn[n-]2)c1)[N-]C(=O)c1ccccc1 ZINC001592884267 1285790559 /nfs/dbraw/zinc/79/05/59/1285790559.db2.gz DWSLIIJAPMVVEQ-UHFFFAOYSA-N -2 3 352.310 0.375 20 0 FCADHL O=C(COC(=O)c1cnccc1-c1nnn[n-]1)[N-]OCc1ccccc1 ZINC001592884658 1285792432 /nfs/dbraw/zinc/79/24/32/1285792432.db2.gz XBRHZZPGYBEQNZ-UHFFFAOYSA-N -2 3 354.326 0.667 20 0 FCADHL O=C(COC(=O)c1cnccc1-c1nn[n-]n1)[N-]OCc1ccccc1 ZINC001592884658 1285792435 /nfs/dbraw/zinc/79/24/35/1285792435.db2.gz XBRHZZPGYBEQNZ-UHFFFAOYSA-N -2 3 354.326 0.667 20 0 FCADHL O=C(COCc1ccncc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592887148 1285794370 /nfs/dbraw/zinc/79/43/70/1285794370.db2.gz WCQQZTSWOKRQPU-UHFFFAOYSA-N -2 3 374.382 0.283 20 0 FCADHL O=C(COCc1ccncc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592887148 1285794379 /nfs/dbraw/zinc/79/43/79/1285794379.db2.gz WCQQZTSWOKRQPU-UHFFFAOYSA-N -2 3 374.382 0.283 20 0 FCADHL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001609264772 1289030942 /nfs/dbraw/zinc/03/09/42/1289030942.db2.gz CGCBOVKVVIIQDO-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001609264772 1289030951 /nfs/dbraw/zinc/03/09/51/1289030951.db2.gz CGCBOVKVVIIQDO-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592934607 1285823009 /nfs/dbraw/zinc/82/30/09/1285823009.db2.gz KPWQIUQMBIVAPH-UHFFFAOYSA-N -2 3 355.293 0.029 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592934607 1285823018 /nfs/dbraw/zinc/82/30/18/1285823018.db2.gz KPWQIUQMBIVAPH-UHFFFAOYSA-N -2 3 355.293 0.029 20 0 FCADHL O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593167549 1286025946 /nfs/dbraw/zinc/02/59/46/1286025946.db2.gz UCPPWMOHFLTJJE-IUODEOHRSA-N -2 3 372.385 0.794 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001593170108 1286026149 /nfs/dbraw/zinc/02/61/49/1286026149.db2.gz DWIBHYUIPMRHFW-CABCVRRESA-N -2 3 374.401 0.157 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001593170108 1286026150 /nfs/dbraw/zinc/02/61/50/1286026150.db2.gz DWIBHYUIPMRHFW-CABCVRRESA-N -2 3 374.401 0.157 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1C(F)F ZINC001593172719 1286026503 /nfs/dbraw/zinc/02/65/03/1286026503.db2.gz NTOPOESIBBZFBJ-UWVGGRQHSA-N -2 3 357.342 0.714 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1C(F)F ZINC001593172719 1286026508 /nfs/dbraw/zinc/02/65/08/1286026508.db2.gz NTOPOESIBBZFBJ-UWVGGRQHSA-N -2 3 357.342 0.714 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)c1cnn2ccccc12 ZINC001593172830 1286026741 /nfs/dbraw/zinc/02/67/41/1286026741.db2.gz QGFNRVXZTGPTOE-UHFFFAOYSA-N -2 3 369.366 0.633 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)c1cnn2ccccc12 ZINC001593172830 1286026744 /nfs/dbraw/zinc/02/67/44/1286026744.db2.gz QGFNRVXZTGPTOE-UHFFFAOYSA-N -2 3 369.366 0.633 20 0 FCADHL O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001593275981 1286058937 /nfs/dbraw/zinc/05/89/37/1286058937.db2.gz ZGHZVSZOXSDJGW-ONGXEEELSA-N -2 3 367.362 0.455 20 0 FCADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)o1)C(F)F ZINC001593276492 1286059674 /nfs/dbraw/zinc/05/96/74/1286059674.db2.gz KYDSTDJGLIQIHZ-YFKPBYRVSA-N -3 3 351.291 0.094 20 0 FCADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(F)F ZINC001593276492 1286059677 /nfs/dbraw/zinc/05/96/77/1286059677.db2.gz KYDSTDJGLIQIHZ-YFKPBYRVSA-N -3 3 351.291 0.094 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001593275663 1286059785 /nfs/dbraw/zinc/05/97/85/1286059785.db2.gz DQUSBCQAFJQHMC-QMMMGPOBSA-N -2 3 357.779 0.615 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001593275663 1286059787 /nfs/dbraw/zinc/05/97/87/1286059787.db2.gz DQUSBCQAFJQHMC-QMMMGPOBSA-N -2 3 357.779 0.615 20 0 FCADHL O=C([O-])C[C@H](CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(F)F ZINC001593276698 1286059994 /nfs/dbraw/zinc/05/99/94/1286059994.db2.gz NZXAHPHHKCQPOF-SSDOTTSWSA-N -2 3 361.330 0.501 20 0 FCADHL O=C([O-])C[C@H](CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(F)F ZINC001593276698 1286059999 /nfs/dbraw/zinc/05/99/99/1286059999.db2.gz NZXAHPHHKCQPOF-SSDOTTSWSA-N -2 3 361.330 0.501 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001593277616 1286060044 /nfs/dbraw/zinc/06/00/44/1286060044.db2.gz DQKNNIAJZSVXRV-JTQLQIEISA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001593277616 1286060047 /nfs/dbraw/zinc/06/00/47/1286060047.db2.gz DQKNNIAJZSVXRV-JTQLQIEISA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC12CCCC2 ZINC001593277200 1286060850 /nfs/dbraw/zinc/06/08/50/1286060850.db2.gz UCSCAQVMJOZHBR-LLVKDONJSA-N -2 3 364.387 0.280 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC12CCCC2 ZINC001593277200 1286060852 /nfs/dbraw/zinc/06/08/52/1286060852.db2.gz UCSCAQVMJOZHBR-LLVKDONJSA-N -2 3 364.387 0.280 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001593278559 1286062031 /nfs/dbraw/zinc/06/20/31/1286062031.db2.gz MQAUZNUQWLCAPV-UHFFFAOYSA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593278559 1286062034 /nfs/dbraw/zinc/06/20/34/1286062034.db2.gz MQAUZNUQWLCAPV-UHFFFAOYSA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])c1cccc(CCNS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001593284014 1286064898 /nfs/dbraw/zinc/06/48/98/1286064898.db2.gz VGYJCJQZONFRFB-UHFFFAOYSA-N -2 3 374.382 0.481 20 0 FCADHL O=C([O-])c1cccc(CCNS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001593284014 1286064900 /nfs/dbraw/zinc/06/49/00/1286064900.db2.gz VGYJCJQZONFRFB-UHFFFAOYSA-N -2 3 374.382 0.481 20 0 FCADHL O=c1[n-]c(S[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n[nH]1 ZINC001593383412 1286104299 /nfs/dbraw/zinc/10/42/99/1286104299.db2.gz ZSZFOYWOTIYASW-SNVBAGLBSA-N -2 3 358.387 0.978 20 0 FCADHL O=c1[n-]c(S[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n[nH]1 ZINC001593383412 1286104303 /nfs/dbraw/zinc/10/43/03/1286104303.db2.gz ZSZFOYWOTIYASW-SNVBAGLBSA-N -2 3 358.387 0.978 20 0 FCADHL O=S(=O)([N-][C@H](CCO)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593430293 1286151911 /nfs/dbraw/zinc/15/19/11/1286151911.db2.gz NXKYHFXISGBCJQ-ZCFIWIBFSA-N -2 3 357.339 0.520 20 0 FCADHL O=S(=O)([N-][C@H](CCO)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593430293 1286151916 /nfs/dbraw/zinc/15/19/16/1286151916.db2.gz NXKYHFXISGBCJQ-ZCFIWIBFSA-N -2 3 357.339 0.520 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NS(=O)(=O)CC3(C(=O)[O-])CC3)C2)n1 ZINC001600064983 1286434923 /nfs/dbraw/zinc/43/49/23/1286434923.db2.gz LRJHQUSDIZHUTP-NSHDSACASA-N -2 3 370.431 0.244 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)n1 ZINC001600065402 1286435183 /nfs/dbraw/zinc/43/51/83/1286435183.db2.gz UPBUWUZLYGBUAN-NEPJUHHUSA-N -2 3 370.431 0.196 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])oc1C(=O)[O-] ZINC001600299721 1286472353 /nfs/dbraw/zinc/47/23/53/1286472353.db2.gz SCGYNQUVDFVSEU-SNVBAGLBSA-N -3 3 368.367 0.903 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)C(=O)OCc2ccccc2)c1C(=O)[O-] ZINC001600672683 1286523878 /nfs/dbraw/zinc/52/38/78/1286523878.db2.gz GXJSWRBZZRSALZ-JTQLQIEISA-N -2 3 367.383 0.827 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)c1C(=O)[O-] ZINC001600673079 1286523900 /nfs/dbraw/zinc/52/39/00/1286523900.db2.gz MSQMGFKPCWEOOR-BXKDBHETSA-N -2 3 353.356 0.189 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](O)COc2ccccc2)c1C(=O)[O-] ZINC001600672695 1286524078 /nfs/dbraw/zinc/52/40/78/1286524078.db2.gz HLGHEXFKJNLDOV-JTQLQIEISA-N -2 3 355.372 0.135 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](CO)CC2CCOCC2)c1C(=O)[O-] ZINC001600673106 1286524170 /nfs/dbraw/zinc/52/41/70/1286524170.db2.gz NJHIXHYLAMZUJQ-NSHDSACASA-N -2 3 361.420 0.120 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC2CN(C(=O)OC(C)(C)C)C2)c1C(=O)[O-] ZINC001600674891 1286526012 /nfs/dbraw/zinc/52/60/12/1286526012.db2.gz XKSGIURFWMXBNJ-UHFFFAOYSA-N -2 3 374.419 0.562 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CCCCS2(=O)=O)cc1C(=O)[O-] ZINC001600856999 1286558741 /nfs/dbraw/zinc/55/87/41/1286558741.db2.gz DALAWILPXJANEM-SECBINFHSA-N -2 3 351.402 0.532 20 0 FCADHL Cn1cnnc1[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001600994054 1286591887 /nfs/dbraw/zinc/59/18/87/1286591887.db2.gz AAQUTVPGKHEIKF-MRVPVSSYSA-N -2 3 360.779 0.179 20 0 FCADHL Cn1cnnc1S(=O)(=O)[N-][C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001600995651 1286592813 /nfs/dbraw/zinc/59/28/13/1286592813.db2.gz XYRRVBCASJUBIW-CYBMUJFWSA-N -2 3 358.807 0.833 20 0 FCADHL COC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609316857 1289087400 /nfs/dbraw/zinc/08/74/00/1289087400.db2.gz QDRFXBPQBNEVNV-WDEREUQCSA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609316857 1289087404 /nfs/dbraw/zinc/08/74/04/1289087404.db2.gz QDRFXBPQBNEVNV-WDEREUQCSA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)n1 ZINC001609317403 1289088537 /nfs/dbraw/zinc/08/85/37/1289088537.db2.gz LFNFUBXIWSSNOI-SECBINFHSA-N -2 3 364.391 0.466 20 0 FCADHL COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)n1 ZINC001609317403 1289088544 /nfs/dbraw/zinc/08/85/44/1289088544.db2.gz LFNFUBXIWSSNOI-SECBINFHSA-N -2 3 364.391 0.466 20 0 FCADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])c1ccccc1 ZINC001601138292 1286646454 /nfs/dbraw/zinc/64/64/54/1286646454.db2.gz BTZBYGLIBKQKBE-NSHDSACASA-N -2 3 369.786 0.938 20 0 FCADHL O=C(CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)NC1(C(=O)[O-])CCCCC1 ZINC001601313164 1286722764 /nfs/dbraw/zinc/72/27/64/1286722764.db2.gz MLAZOSQIITUKDF-LLVKDONJSA-N -2 3 352.391 0.858 20 0 FCADHL O=C([O-])[C@H]1CCC[C@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001601375869 1286735803 /nfs/dbraw/zinc/73/58/03/1286735803.db2.gz CVEWHELJHJRMDX-POYBYMJQSA-N -2 3 360.164 0.081 20 0 FCADHL O=C([O-])c1occc1CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001601377831 1286736742 /nfs/dbraw/zinc/73/67/42/1286736742.db2.gz CQBYLJCZZVZIBE-UHFFFAOYSA-N -2 3 372.131 0.319 20 0 FCADHL COCn1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1C ZINC001609332165 1289103420 /nfs/dbraw/zinc/10/34/20/1289103420.db2.gz XERGUOCXIPWFRZ-UHFFFAOYSA-N -2 3 364.391 0.480 20 0 FCADHL COCn1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1C ZINC001609332165 1289103422 /nfs/dbraw/zinc/10/34/22/1289103422.db2.gz XERGUOCXIPWFRZ-UHFFFAOYSA-N -2 3 364.391 0.480 20 0 FCADHL O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001601757386 1286824614 /nfs/dbraw/zinc/82/46/14/1286824614.db2.gz GXYGALUALDOTLI-WCQYABFASA-N -2 3 352.293 0.856 20 0 FCADHL O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001601867062 1286858350 /nfs/dbraw/zinc/85/83/50/1286858350.db2.gz UVLGFJSZHZUYRD-AWEZNQCLSA-N -2 3 366.337 0.619 20 0 FCADHL O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001601867062 1286858354 /nfs/dbraw/zinc/85/83/54/1286858354.db2.gz UVLGFJSZHZUYRD-AWEZNQCLSA-N -2 3 366.337 0.619 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCO1 ZINC001609338526 1289107589 /nfs/dbraw/zinc/10/75/89/1289107589.db2.gz GCYABHOIFBABAO-CQSZACIVSA-N -2 3 367.387 0.249 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCO1 ZINC001609338526 1289107591 /nfs/dbraw/zinc/10/75/91/1289107591.db2.gz GCYABHOIFBABAO-CQSZACIVSA-N -2 3 367.387 0.249 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCCCC(=O)[O-] ZINC001609339562 1289110213 /nfs/dbraw/zinc/11/02/13/1289110213.db2.gz XFQUHPNJNUEZKN-UHFFFAOYSA-N -2 3 369.403 0.799 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCCCC(=O)[O-] ZINC001609339562 1289110217 /nfs/dbraw/zinc/11/02/17/1289110217.db2.gz XFQUHPNJNUEZKN-UHFFFAOYSA-N -2 3 369.403 0.799 20 0 FCADHL O=C([O-])CCS(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC001602028748 1286909216 /nfs/dbraw/zinc/90/92/16/1286909216.db2.gz YTRHWMHDBRQAAM-UHFFFAOYSA-N -2 3 360.363 0.515 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)s1 ZINC001602396871 1286996784 /nfs/dbraw/zinc/99/67/84/1286996784.db2.gz BZKZVVJBCGPOPT-MRVPVSSYSA-N -2 3 370.412 0.499 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001602506765 1287019137 /nfs/dbraw/zinc/01/91/37/1287019137.db2.gz PVVURQYOLZCROZ-ZYHUDNBSSA-N -2 3 352.372 0.702 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCS(=O)(=O)c2ccccc2)c1 ZINC001602559239 1287026181 /nfs/dbraw/zinc/02/61/81/1287026181.db2.gz NDAAKJDIACZRGA-UHFFFAOYSA-N -2 3 359.381 0.730 20 0 FCADHL O=C([O-])c1sccc1S(=O)(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001602599083 1287033627 /nfs/dbraw/zinc/03/36/27/1287033627.db2.gz MICWHHFYLFZOTC-QMMMGPOBSA-N -2 3 370.412 0.499 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001609374053 1289127557 /nfs/dbraw/zinc/12/75/57/1289127557.db2.gz CDLKEUXQCNBFNJ-SNVBAGLBSA-N -2 3 358.383 0.870 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001609374053 1289127559 /nfs/dbraw/zinc/12/75/59/1289127559.db2.gz CDLKEUXQCNBFNJ-SNVBAGLBSA-N -2 3 358.383 0.870 20 0 FCADHL CC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001602914058 1287157525 /nfs/dbraw/zinc/15/75/25/1287157525.db2.gz BGDQGLWAIAGZMA-SECBINFHSA-N -2 3 373.778 0.231 20 0 FCADHL CC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001602914058 1287157528 /nfs/dbraw/zinc/15/75/28/1287157528.db2.gz BGDQGLWAIAGZMA-SECBINFHSA-N -2 3 373.778 0.231 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cccc1-c1nnn[n-]1 ZINC001609384386 1289131379 /nfs/dbraw/zinc/13/13/79/1289131379.db2.gz LILDEXUMJCZQAM-JOYOIKCWSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cccc1-c1nn[n-]n1 ZINC001609384386 1289131384 /nfs/dbraw/zinc/13/13/84/1289131384.db2.gz LILDEXUMJCZQAM-JOYOIKCWSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC001609389269 1289133370 /nfs/dbraw/zinc/13/33/70/1289133370.db2.gz YLMMSEXOURXAKC-QPUJVOFHSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC001609389269 1289133373 /nfs/dbraw/zinc/13/33/73/1289133373.db2.gz YLMMSEXOURXAKC-QPUJVOFHSA-N -2 3 351.388 0.659 20 0 FCADHL CNS(=O)(=O)c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)ccc1[O-] ZINC001604896578 1287810259 /nfs/dbraw/zinc/81/02/59/1287810259.db2.gz CTTKCISYVMARSU-UHFFFAOYSA-N -2 3 364.343 0.326 20 0 FCADHL CNS(=O)(=O)c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)ccc1[O-] ZINC001604896578 1287810261 /nfs/dbraw/zinc/81/02/61/1287810261.db2.gz CTTKCISYVMARSU-UHFFFAOYSA-N -2 3 364.343 0.326 20 0 FCADHL COC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001605047921 1287855940 /nfs/dbraw/zinc/85/59/40/1287855940.db2.gz GXCZWOGZOCVQGP-WDEREUQCSA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001605047921 1287855947 /nfs/dbraw/zinc/85/59/47/1287855947.db2.gz GXCZWOGZOCVQGP-WDEREUQCSA-N -2 3 367.431 0.731 20 0 FCADHL Cc1cc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001609406164 1289140255 /nfs/dbraw/zinc/14/02/55/1289140255.db2.gz MUGNPYBFOUXSOI-GFCCVEGCSA-N -2 3 360.374 0.729 20 0 FCADHL Cc1cc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001609406164 1289140262 /nfs/dbraw/zinc/14/02/62/1289140262.db2.gz MUGNPYBFOUXSOI-GFCCVEGCSA-N -2 3 360.374 0.729 20 0 FCADHL COCCS(=O)(=O)[N-]c1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001605120903 1287888719 /nfs/dbraw/zinc/88/87/19/1287888719.db2.gz KGTVDIGGOHWZHE-UHFFFAOYSA-N -2 3 351.348 0.305 20 0 FCADHL COCCS(=O)(=O)[N-]c1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001605120903 1287888728 /nfs/dbraw/zinc/88/87/28/1287888728.db2.gz KGTVDIGGOHWZHE-UHFFFAOYSA-N -2 3 351.348 0.305 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc(-c2nnn[n-]2)c1 ZINC001609405716 1289138723 /nfs/dbraw/zinc/13/87/23/1289138723.db2.gz VZBTUUDSRYXLIX-PWSUYJOCSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc(-c2nn[n-]n2)c1 ZINC001609405716 1289138727 /nfs/dbraw/zinc/13/87/27/1289138727.db2.gz VZBTUUDSRYXLIX-PWSUYJOCSA-N -2 3 372.385 0.683 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)CCC(C)C)ccc1-c1nnn[n-]1 ZINC001605196638 1287909584 /nfs/dbraw/zinc/90/95/84/1287909584.db2.gz IFQIKXACIJMAKJ-UHFFFAOYSA-N -2 3 353.404 0.981 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)CCC(C)C)ccc1-c1nn[n-]n1 ZINC001605196638 1287909589 /nfs/dbraw/zinc/90/95/89/1287909589.db2.gz IFQIKXACIJMAKJ-UHFFFAOYSA-N -2 3 353.404 0.981 20 0 FCADHL CCOCCS(=O)(=O)[N-][C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001605638918 1288043556 /nfs/dbraw/zinc/04/35/56/1288043556.db2.gz NKWHBJSSNRIYJJ-CYBMUJFWSA-N -2 3 356.400 0.594 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1-c1nnn[n-]1 ZINC001605752016 1288073007 /nfs/dbraw/zinc/07/30/07/1288073007.db2.gz PHUHSTLGPKEILZ-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1-c1nn[n-]n1 ZINC001605752016 1288073014 /nfs/dbraw/zinc/07/30/14/1288073014.db2.gz PHUHSTLGPKEILZ-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001605801929 1288089738 /nfs/dbraw/zinc/08/97/38/1288089738.db2.gz MQUYPNGECPUGEN-MWLCHTKSSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001605801929 1288089745 /nfs/dbraw/zinc/08/97/45/1288089745.db2.gz MQUYPNGECPUGEN-MWLCHTKSSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001605918010 1288104133 /nfs/dbraw/zinc/10/41/33/1288104133.db2.gz BJXODZYQMHPKQO-INIZCTEOSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001605918010 1288104137 /nfs/dbraw/zinc/10/41/37/1288104137.db2.gz BJXODZYQMHPKQO-INIZCTEOSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1ncncc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001606102734 1288164932 /nfs/dbraw/zinc/16/49/32/1288164932.db2.gz IAIFKWDYCFHZIX-UHFFFAOYSA-N -2 3 359.371 0.225 20 0 FCADHL Cc1ncncc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606102734 1288164934 /nfs/dbraw/zinc/16/49/34/1288164934.db2.gz IAIFKWDYCFHZIX-UHFFFAOYSA-N -2 3 359.371 0.225 20 0 FCADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)nn1C ZINC001609453597 1289160021 /nfs/dbraw/zinc/16/00/21/1289160021.db2.gz JZVNVHWTXFYMIT-UHFFFAOYSA-N -2 3 354.783 0.758 20 0 FCADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)nn1C ZINC001609453597 1289160023 /nfs/dbraw/zinc/16/00/23/1289160023.db2.gz JZVNVHWTXFYMIT-UHFFFAOYSA-N -2 3 354.783 0.758 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1-c1nnn[n-]1 ZINC001609456520 1289160915 /nfs/dbraw/zinc/16/09/15/1289160915.db2.gz SXYMOWPEKJOGHO-JTQLQIEISA-N -2 3 354.392 0.348 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1-c1nn[n-]n1 ZINC001609456520 1289160918 /nfs/dbraw/zinc/16/09/18/1289160918.db2.gz SXYMOWPEKJOGHO-JTQLQIEISA-N -2 3 354.392 0.348 20 0 FCADHL Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3cccc(-c4nnn[n-]4)n3)C2)cn1 ZINC001606238120 1288226035 /nfs/dbraw/zinc/22/60/35/1288226035.db2.gz XDFUZMCJCNCAND-QWRGUYRKSA-N -2 3 354.374 0.690 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CCSCC1 ZINC001606354809 1288269976 /nfs/dbraw/zinc/26/99/76/1288269976.db2.gz VWWVKHGDCRZADZ-QWRGUYRKSA-N -2 3 365.473 0.988 20 0 FCADHL COC(=O)[C@@H]1CCN(C(=O)c2cc(OC)c([O-])c(OC)c2)[C@@H](C(=O)[O-])C1 ZINC001606408111 1288293632 /nfs/dbraw/zinc/29/36/32/1288293632.db2.gz VDYPNBVXJJXTNK-MWLCHTKSSA-N -2 3 367.354 0.888 20 0 FCADHL O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001606514002 1288356084 /nfs/dbraw/zinc/35/60/84/1288356084.db2.gz NCDFGWMEUYGQRV-SNVBAGLBSA-N -2 3 352.376 0.026 20 0 FCADHL O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001606514002 1288356091 /nfs/dbraw/zinc/35/60/91/1288356091.db2.gz NCDFGWMEUYGQRV-SNVBAGLBSA-N -2 3 352.376 0.026 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccn(C)n2)oc1C ZINC001606564862 1288387394 /nfs/dbraw/zinc/38/73/94/1288387394.db2.gz PKQUATGSIVYQIR-LLVKDONJSA-N -2 3 357.344 0.212 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001606589395 1288399190 /nfs/dbraw/zinc/39/91/90/1288399190.db2.gz VRFGFQYVYTWXTK-LLVKDONJSA-N -2 3 369.378 0.521 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001606589395 1288399197 /nfs/dbraw/zinc/39/91/97/1288399197.db2.gz VRFGFQYVYTWXTK-LLVKDONJSA-N -2 3 369.378 0.521 20 0 FCADHL CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001606737826 1288478550 /nfs/dbraw/zinc/47/85/50/1288478550.db2.gz LUFDCKHROYRIGT-HBNTYKKESA-N -2 3 361.420 0.261 20 0 FCADHL O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001606882514 1288546493 /nfs/dbraw/zinc/54/64/93/1288546493.db2.gz MJOIGSREAQDTNJ-PHIMTYICSA-N -2 3 352.358 0.735 20 0 FCADHL O=C([O-])CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccoc1 ZINC001606957461 1288574588 /nfs/dbraw/zinc/57/45/88/1288574588.db2.gz FCSHDJSRUDJOFY-UHFFFAOYSA-N -2 3 363.355 0.735 20 0 FCADHL O=C([O-])[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CCC1 ZINC001606957401 1288574599 /nfs/dbraw/zinc/57/45/99/1288574599.db2.gz BBZJRSBSYUBLJX-LLVKDONJSA-N -2 3 369.378 0.785 20 0 FCADHL O=C([O-])[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CCC1 ZINC001606957401 1288574600 /nfs/dbraw/zinc/57/46/00/1288574600.db2.gz BBZJRSBSYUBLJX-LLVKDONJSA-N -2 3 369.378 0.785 20 0 FCADHL O=C([O-])[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)CC1CC1 ZINC001606959722 1288575740 /nfs/dbraw/zinc/57/57/40/1288575740.db2.gz MALISJHYENOMOD-SECBINFHSA-N -2 3 369.378 0.785 20 0 FCADHL O=C([O-])[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)CC1CC1 ZINC001606959722 1288575743 /nfs/dbraw/zinc/57/57/43/1288575743.db2.gz MALISJHYENOMOD-SECBINFHSA-N -2 3 369.378 0.785 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1(F)F ZINC001606961574 1288576606 /nfs/dbraw/zinc/57/66/06/1288576606.db2.gz VIZDJTHQDBHCMA-JTQLQIEISA-N -2 3 373.341 0.597 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1(F)F ZINC001606961574 1288576608 /nfs/dbraw/zinc/57/66/08/1288576608.db2.gz VIZDJTHQDBHCMA-JTQLQIEISA-N -2 3 373.341 0.597 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC001606961368 1288576835 /nfs/dbraw/zinc/57/68/35/1288576835.db2.gz QJMVOQBVYWQHIB-UHFFFAOYSA-N -2 3 369.378 0.929 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC001606961368 1288576838 /nfs/dbraw/zinc/57/68/38/1288576838.db2.gz QJMVOQBVYWQHIB-UHFFFAOYSA-N -2 3 369.378 0.929 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CCCN2S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001606962148 1288578185 /nfs/dbraw/zinc/57/81/85/1288578185.db2.gz GPWAJRFTBNQNIK-DOMZBBRYSA-N -2 3 363.399 0.636 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CCCN2S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001606962148 1288578187 /nfs/dbraw/zinc/57/81/87/1288578187.db2.gz GPWAJRFTBNQNIK-DOMZBBRYSA-N -2 3 363.399 0.636 20 0 FCADHL O=C1c2ccccc2CCN1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001607055740 1288625348 /nfs/dbraw/zinc/62/53/48/1288625348.db2.gz BJSQJFBGUVHWOT-UHFFFAOYSA-N -2 3 371.382 0.154 20 0 FCADHL O=C1c2ccccc2CCN1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001607055740 1288625352 /nfs/dbraw/zinc/62/53/52/1288625352.db2.gz BJSQJFBGUVHWOT-UHFFFAOYSA-N -2 3 371.382 0.154 20 0 FCADHL O=S(=O)([N-]c1ccccc1-n1cncn1)c1cncc(-c2nnn[n-]2)c1 ZINC001607069028 1288640966 /nfs/dbraw/zinc/64/09/66/1288640966.db2.gz QDMIJNBFFQUAOK-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1ccccc1-n1cncn1)c1cncc(-c2nn[n-]n2)c1 ZINC001607069028 1288640972 /nfs/dbraw/zinc/64/09/72/1288640972.db2.gz QDMIJNBFFQUAOK-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1nc(C(F)(F)F)c[nH]1)c1ccc(-c2nnn[n-]2)nc1 ZINC001607069567 1288641301 /nfs/dbraw/zinc/64/13/01/1288641301.db2.gz IBEJVWHAZQGOBF-UHFFFAOYSA-N -2 3 360.281 0.804 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001607068614 1288641380 /nfs/dbraw/zinc/64/13/80/1288641380.db2.gz ILELUSXEORFJBN-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001607068614 1288641383 /nfs/dbraw/zinc/64/13/83/1288641383.db2.gz ILELUSXEORFJBN-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)(c1ncc[n-]1)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001607072969 1288646011 /nfs/dbraw/zinc/64/60/11/1288646011.db2.gz DLTGSBVYGZZKKU-UHFFFAOYSA-N -2 3 366.432 0.162 20 0 FCADHL O=S(=O)(c1ncc[n-]1)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001607072969 1288646016 /nfs/dbraw/zinc/64/60/16/1288646016.db2.gz DLTGSBVYGZZKKU-UHFFFAOYSA-N -2 3 366.432 0.162 20 0 FCADHL COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001607338502 1288699481 /nfs/dbraw/zinc/69/94/81/1288699481.db2.gz RBPZXERSOZJYSQ-SNVBAGLBSA-N -2 3 355.372 0.437 20 0 FCADHL C[C@@H]1[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001607448708 1288709455 /nfs/dbraw/zinc/70/94/55/1288709455.db2.gz MMHTXQPZQUGMGO-SCZZXKLOSA-N -2 3 374.419 0.784 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2cccc(S(C)(=O)=O)c2)c1C(=O)[O-] ZINC001607938788 1288749674 /nfs/dbraw/zinc/74/96/74/1288749674.db2.gz ZRKSYCWMQHMZNH-UHFFFAOYSA-N -2 3 373.412 0.298 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)c1C(=O)[O-] ZINC001607940364 1288749971 /nfs/dbraw/zinc/74/99/71/1288749971.db2.gz OWOUWPHLBRKZAA-UHFFFAOYSA-N -2 3 356.335 0.472 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(=O)NCc2ccccc2)c1C(=O)[O-] ZINC001607940477 1288750214 /nfs/dbraw/zinc/75/02/14/1288750214.db2.gz RRIPSVCXVVPETO-UHFFFAOYSA-N -2 3 352.372 0.011 20 0 FCADHL Cc1nc2c(c(=O)[n-]1)CN(S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)C2 ZINC001607967948 1288753215 /nfs/dbraw/zinc/75/32/15/1288753215.db2.gz OCYKYYSCIYPPHW-UHFFFAOYSA-N -2 3 350.356 0.597 20 0 FCADHL Cn1nccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001608162694 1288784699 /nfs/dbraw/zinc/78/46/99/1288784699.db2.gz KZITWCFXYLJRDT-ZYHUDNBSSA-N -2 3 355.372 0.910 20 0 FCADHL NC(=O)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Cc1ccc(F)cc1 ZINC001608226693 1288793723 /nfs/dbraw/zinc/79/37/23/1288793723.db2.gz DEOBMSWJNZKKDB-JTQLQIEISA-N -2 3 370.358 0.739 20 0 FCADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCOC1 ZINC001608688947 1288865232 /nfs/dbraw/zinc/86/52/32/1288865232.db2.gz ARDHRJXELFXKKI-ZDUSSCGKSA-N -2 3 360.319 0.172 20 0 FCADHL C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609117566 1288930806 /nfs/dbraw/zinc/93/08/06/1288930806.db2.gz SNIZVJGKXXTTHP-QGHHPUGFSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609117566 1288930810 /nfs/dbraw/zinc/93/08/10/1288930810.db2.gz SNIZVJGKXXTTHP-QGHHPUGFSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609142912 1288945662 /nfs/dbraw/zinc/94/56/62/1288945662.db2.gz RQYKNRICAQMQFZ-CQSZACIVSA-N -2 3 351.388 0.636 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609142912 1288945666 /nfs/dbraw/zinc/94/56/66/1288945666.db2.gz RQYKNRICAQMQFZ-CQSZACIVSA-N -2 3 351.388 0.636 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609142584 1288945776 /nfs/dbraw/zinc/94/57/76/1288945776.db2.gz DVTVCGWRNSNCMR-IUODEOHRSA-N -2 3 365.415 0.930 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609142584 1288945782 /nfs/dbraw/zinc/94/57/82/1288945782.db2.gz DVTVCGWRNSNCMR-IUODEOHRSA-N -2 3 365.415 0.930 20 0 FCADHL CC1(C)CC(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001609144358 1288946700 /nfs/dbraw/zinc/94/67/00/1288946700.db2.gz SDBXEILVXCDOJD-UHFFFAOYSA-N -2 3 350.404 0.893 20 0 FCADHL CC1(C)CC(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001609144358 1288946706 /nfs/dbraw/zinc/94/67/06/1288946706.db2.gz SDBXEILVXCDOJD-UHFFFAOYSA-N -2 3 350.404 0.893 20 0 FCADHL CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001609144619 1288947166 /nfs/dbraw/zinc/94/71/66/1288947166.db2.gz GOUDWXGMBXLSLA-SECBINFHSA-N -2 3 350.404 0.893 20 0 FCADHL CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001609144619 1288947168 /nfs/dbraw/zinc/94/71/68/1288947168.db2.gz GOUDWXGMBXLSLA-SECBINFHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609153485 1288953085 /nfs/dbraw/zinc/95/30/85/1288953085.db2.gz VPRHZAOZOJCFKX-HTRCEHHLSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609153485 1288953088 /nfs/dbraw/zinc/95/30/88/1288953088.db2.gz VPRHZAOZOJCFKX-HTRCEHHLSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609161642 1288960056 /nfs/dbraw/zinc/96/00/56/1288960056.db2.gz WVSZNDQEOMNOPA-NXEZZACHSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609161642 1288960062 /nfs/dbraw/zinc/96/00/62/1288960062.db2.gz WVSZNDQEOMNOPA-NXEZZACHSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001609168470 1288961146 /nfs/dbraw/zinc/96/11/46/1288961146.db2.gz CIGOQYYBCFQQHG-GXSJLCMTSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001609168470 1288961152 /nfs/dbraw/zinc/96/11/52/1288961152.db2.gz CIGOQYYBCFQQHG-GXSJLCMTSA-N -2 3 351.388 0.598 20 0 FCADHL CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001609184359 1288974521 /nfs/dbraw/zinc/97/45/21/1288974521.db2.gz XBBFHLYMTHPVQP-UFBFGSQYSA-N -2 3 368.419 0.690 20 0 FCADHL CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001609184359 1288974523 /nfs/dbraw/zinc/97/45/23/1288974523.db2.gz XBBFHLYMTHPVQP-UFBFGSQYSA-N -2 3 368.419 0.690 20 0 FCADHL O=C(CCc1cncs1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609525364 1289195064 /nfs/dbraw/zinc/19/50/64/1289195064.db2.gz IKEJDJHBLGMWKB-UHFFFAOYSA-N -2 3 364.412 0.761 20 0 FCADHL O=C(CCc1cncs1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609525364 1289195066 /nfs/dbraw/zinc/19/50/66/1289195066.db2.gz IKEJDJHBLGMWKB-UHFFFAOYSA-N -2 3 364.412 0.761 20 0 FCADHL O=C([O-])[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC001609530501 1289200445 /nfs/dbraw/zinc/20/04/45/1289200445.db2.gz GTYMLBMPKAYWAG-SMDDNHRTSA-N -2 3 361.358 0.242 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609534942 1289201200 /nfs/dbraw/zinc/20/12/00/1289201200.db2.gz YOXCBHXMQHXNLG-NSHDSACASA-N -2 3 372.414 0.976 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609534942 1289201206 /nfs/dbraw/zinc/20/12/06/1289201206.db2.gz YOXCBHXMQHXNLG-NSHDSACASA-N -2 3 372.414 0.976 20 0 FCADHL O=C([N-]S(=O)(=O)C(F)F)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001609559754 1289223630 /nfs/dbraw/zinc/22/36/30/1289223630.db2.gz CPKWRVLQCRHDOZ-UHFFFAOYSA-N -2 3 372.235 0.563 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@@H]1CC1(Cl)Cl ZINC001609560539 1289225229 /nfs/dbraw/zinc/22/52/29/1289225229.db2.gz UJARPNKOBMPXDG-ZETCQYMHSA-N -2 3 363.186 0.260 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@@H]1CC1(Cl)Cl ZINC001609560539 1289225236 /nfs/dbraw/zinc/22/52/36/1289225236.db2.gz UJARPNKOBMPXDG-ZETCQYMHSA-N -2 3 363.186 0.260 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C1CCSCC1 ZINC001609560291 1289225554 /nfs/dbraw/zinc/22/55/54/1289225554.db2.gz GEZNDVSEHVQHGR-UHFFFAOYSA-N -2 3 354.417 0.210 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C1CCSCC1 ZINC001609560291 1289225560 /nfs/dbraw/zinc/22/55/60/1289225560.db2.gz GEZNDVSEHVQHGR-UHFFFAOYSA-N -2 3 354.417 0.210 20 0 FCADHL O=C([N-]O[C@H]1CCCCO1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001609560032 1289225715 /nfs/dbraw/zinc/22/57/15/1289225715.db2.gz QPYFDLXUIJYGSK-ZDUSSCGKSA-N -2 3 358.358 0.330 20 0 FCADHL O=C([N-]O[C@H]1CCCCO1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609560032 1289225718 /nfs/dbraw/zinc/22/57/18/1289225718.db2.gz QPYFDLXUIJYGSK-ZDUSSCGKSA-N -2 3 358.358 0.330 20 0 FCADHL O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC001609561350 1289227145 /nfs/dbraw/zinc/22/71/45/1289227145.db2.gz ZCWGUVLFGDXEDM-SNVBAGLBSA-N -2 3 364.749 0.534 20 0 FCADHL O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC001609561350 1289227151 /nfs/dbraw/zinc/22/71/51/1289227151.db2.gz ZCWGUVLFGDXEDM-SNVBAGLBSA-N -2 3 364.749 0.534 20 0 FCADHL O=C([O-])CCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609571886 1289234519 /nfs/dbraw/zinc/23/45/19/1289234519.db2.gz GKGRBUVBOZSBLB-UHFFFAOYSA-N -3 3 361.330 0.678 20 0 FCADHL O=S(=O)([N-]c1nc2ccccn2n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609596524 1289253234 /nfs/dbraw/zinc/25/32/34/1289253234.db2.gz PWWKNJKHVVUWGP-UHFFFAOYSA-N -2 3 360.334 0.849 20 0 FCADHL O=S(=O)([N-]c1nc2ccccn2n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609596524 1289253241 /nfs/dbraw/zinc/25/32/41/1289253241.db2.gz PWWKNJKHVVUWGP-UHFFFAOYSA-N -2 3 360.334 0.849 20 0 FCADHL O=S(=O)([N-]c1nc2n(n1)CCCC2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609596626 1289253753 /nfs/dbraw/zinc/25/37/53/1289253753.db2.gz ZFSBYKVYDUSASB-UHFFFAOYSA-N -2 3 364.366 0.734 20 0 FCADHL O=S(=O)([N-]c1nc2n(n1)CCCC2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609596626 1289253757 /nfs/dbraw/zinc/25/37/57/1289253757.db2.gz ZFSBYKVYDUSASB-UHFFFAOYSA-N -2 3 364.366 0.734 20 0 FCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccccc1Cn1cncn1 ZINC001609596009 1289254280 /nfs/dbraw/zinc/25/42/80/1289254280.db2.gz ZQAMRVYEXNYSIK-UHFFFAOYSA-N -2 3 372.374 0.030 20 0 FCADHL CC(=O)c1ccccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[n-]c1=O ZINC001609630584 1289268319 /nfs/dbraw/zinc/26/83/19/1289268319.db2.gz UUUVZAZZBJMWJH-JTQLQIEISA-N -3 3 365.342 0.509 20 0 FCADHL CC1(C(=O)[O-])CN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC001609812322 1289302319 /nfs/dbraw/zinc/30/23/19/1289302319.db2.gz VESPNJKYMCOKHQ-UHFFFAOYSA-N -2 3 374.365 0.952 20 0 FCADHL COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001610164184 1289404202 /nfs/dbraw/zinc/40/42/02/1289404202.db2.gz CBYJTGOWNFEANJ-LKFCYVNXSA-N -2 3 359.404 0.817 20 0 FCADHL COC[C@H](C)CS(=O)(=O)[N-]C1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001610243003 1289435858 /nfs/dbraw/zinc/43/58/58/1289435858.db2.gz GRFSIKUTQXXLAE-IFQILLTASA-N -2 3 351.421 0.375 20 0 FCADHL CS(=O)(=O)C1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1 ZINC001610371703 1289472174 /nfs/dbraw/zinc/47/21/74/1289472174.db2.gz DAYCSHGFTAYJAD-UHFFFAOYSA-N -2 3 351.402 0.614 20 0 FCADHL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC001610477304 1289493084 /nfs/dbraw/zinc/49/30/84/1289493084.db2.gz OVYWFOXZRIKVSG-UHFFFAOYSA-N -2 3 359.338 0.814 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1C(=O)[O-] ZINC001610550033 1289506764 /nfs/dbraw/zinc/50/67/64/1289506764.db2.gz UXEBPELCOTXLKO-UWVGGRQHSA-N -2 3 374.463 0.582 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)c1C(=O)[O-] ZINC001610549934 1289507286 /nfs/dbraw/zinc/50/72/86/1289507286.db2.gz PRQJIDFNFFSEGP-LBPRGKRZSA-N -2 3 353.400 0.861 20 0 FCADHL O=C([O-])[C@@H]1CNCCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC001610748027 1289577855 /nfs/dbraw/zinc/57/78/55/1289577855.db2.gz SRIPJGSAKDSASS-VIFPVBQESA-N -2 3 368.333 0.848 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H](Cc1cccnc1)C(=O)[O-] ZINC001610871336 1289614225 /nfs/dbraw/zinc/61/42/25/1289614225.db2.gz HQIZRFVXBRUNBS-SECBINFHSA-N -3 3 371.396 0.458 20 0 FCADHL Cc1ncc(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)o1 ZINC001622226053 1290109900 /nfs/dbraw/zinc/10/99/00/1290109900.db2.gz GNXIBIGTTDIWLR-UHFFFAOYSA-N -2 3 363.392 0.972 20 0 FCADHL O=C(c1ccc(Br)cc1[O-])N1CCOC[C@H]1c1nnn[n-]1 ZINC001631568933 1290739163 /nfs/dbraw/zinc/73/91/63/1290739163.db2.gz YLDZCQLHWMXPGX-VIFPVBQESA-N -2 3 354.164 0.882 20 0 FCADHL O=C(c1ccc(Br)cc1[O-])N1CCOC[C@H]1c1nn[n-]n1 ZINC001631568933 1290739171 /nfs/dbraw/zinc/73/91/71/1290739171.db2.gz YLDZCQLHWMXPGX-VIFPVBQESA-N -2 3 354.164 0.882 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)COC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450588 836527657 /nfs/dbraw/zinc/52/76/57/836527657.db2.gz SPGLALQIPIKWTC-UHFFFAOYSA-N -2 3 360.355 0.344 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)COC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450588 836527665 /nfs/dbraw/zinc/52/76/65/836527665.db2.gz SPGLALQIPIKWTC-UHFFFAOYSA-N -2 3 360.355 0.344 20 0 FCADHL Cc1nc2ccccc2c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1[O-] ZINC001149198541 849631834 /nfs/dbraw/zinc/63/18/34/849631834.db2.gz XATGVLMZDVSQSS-UFBFGSQYSA-N -2 3 365.367 0.381 20 0 FCADHL CC(C)S(=O)(=O)c1cccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1 ZINC001168431096 850586382 /nfs/dbraw/zinc/58/63/82/850586382.db2.gz RPYGGQDZYKVZMX-UHFFFAOYSA-N -2 3 351.384 1.000 20 0 FCADHL COc1ccc(CN2CCN(C)CC2)cc1NCCOP(=O)([O-])[O-] ZINC001168595131 850590743 /nfs/dbraw/zinc/59/07/43/850590743.db2.gz GIWJREIJKDGFNB-UHFFFAOYSA-N -2 3 359.363 0.964 20 0 FCADHL CCOC(=O)c1sc(S(=O)(=O)[N-]CCCc2c[n-][nH]c2=O)nc1C ZINC001184976778 851330456 /nfs/dbraw/zinc/33/04/56/851330456.db2.gz UTTIQLFLDXTHRM-SECBINFHSA-N -2 3 374.444 0.419 20 0 FCADHL CCOC(=O)c1sc(S(=O)(=O)[N-]C(C(=O)OC)=C(C)[O-])nc1C ZINC001184975031 851330690 /nfs/dbraw/zinc/33/06/90/851330690.db2.gz NMTRJADEILXCOS-QMMMGPOBSA-N -2 3 364.401 0.037 20 0 FCADHL CN1CCO[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195245836 852730199 /nfs/dbraw/zinc/73/01/99/852730199.db2.gz SZNFSYABVYQNAN-QMMMGPOBSA-N -2 3 350.343 0.272 20 0 FCADHL CN(C(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C1CC1 ZINC001195246354 852730424 /nfs/dbraw/zinc/73/04/24/852730424.db2.gz ZWCWZEVSNUNALO-UHFFFAOYSA-N -2 3 362.354 0.952 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCOC2)c(F)cc1F ZINC001195258317 852732518 /nfs/dbraw/zinc/73/25/18/852732518.db2.gz NTUDMZOPYWBYPQ-WRWORJQWSA-N -2 3 351.327 0.339 20 0 FCADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(N)=O ZINC001195267784 852734612 /nfs/dbraw/zinc/73/46/12/852734612.db2.gz GPYYENSYTAATMB-JTQLQIEISA-N -2 3 350.343 0.985 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(N2CCCNC2=O)nc1 ZINC001198470393 853273431 /nfs/dbraw/zinc/27/34/31/853273431.db2.gz PUTFMQVESMUZJO-UHFFFAOYSA-N -2 3 356.319 0.689 20 0 FCADHL C[C@H](Cn1cnc2c1ncnc2Nc1cncn1C)OCP(=O)([O-])[O-] ZINC001211246635 854170936 /nfs/dbraw/zinc/17/09/36/854170936.db2.gz IIEIXABHGSAYNH-SECBINFHSA-N -2 3 367.306 0.844 20 0 FCADHL Cc1cc(=O)oc2cc([O-])c(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc12 ZINC001226537364 857108005 /nfs/dbraw/zinc/10/80/05/857108005.db2.gz IRXXICPJIQCGIM-SECBINFHSA-N -3 3 360.211 0.183 20 0 FCADHL O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234445580 857406245 /nfs/dbraw/zinc/40/62/45/857406245.db2.gz ATPDFCFUBBKFGQ-JTQLQIEISA-N -2 3 357.388 0.236 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)c(=O)[n-]1 ZINC001253940834 857929538 /nfs/dbraw/zinc/92/95/38/857929538.db2.gz DZZBMOUCMFYWGI-UHFFFAOYSA-N -2 3 353.404 0.624 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CNC(=O)C2)c(F)cc1Cl ZINC001259223018 858249863 /nfs/dbraw/zinc/24/98/63/858249863.db2.gz MLLHWSUSKGDUCM-ZCFIWIBFSA-N -2 3 350.755 0.592 20 0 FCADHL O=C([O-])CCC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259224795 858250262 /nfs/dbraw/zinc/25/02/62/858250262.db2.gz QYKKLPRTMWNMRT-UHFFFAOYSA-N -3 3 367.738 0.890 20 0 FCADHL COC(=O)c1ncc(=O)[nH]c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260218866 858356597 /nfs/dbraw/zinc/35/65/97/858356597.db2.gz UXHOTMHWBKHVJU-UHFFFAOYSA-N -2 3 371.302 0.195 20 0 FCADHL CCc1ncc(S(=O)(=O)[N-][C@@H](Cn2cc(Cl)cn2)C(=O)[O-])s1 ZINC001321454665 868479674 /nfs/dbraw/zinc/47/96/74/868479674.db2.gz TZDBIOHAIPQMEC-QMMMGPOBSA-N -2 3 364.836 0.987 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccn1 ZINC001324191088 869502574 /nfs/dbraw/zinc/50/25/74/869502574.db2.gz BCBAEBQNIZUBCQ-SECBINFHSA-N -2 3 371.396 0.819 20 0 FCADHL Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1nc(=O)o[n-]1 ZINC001327295665 870772322 /nfs/dbraw/zinc/77/23/22/870772322.db2.gz ACXOAVYGTHJQPG-UHFFFAOYSA-N -2 3 354.207 0.974 20 0 FCADHL CC(C)CNC(=O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000322299077 970870985 /nfs/dbraw/zinc/87/09/85/970870985.db2.gz UDCOCQTYAIQAKV-UHFFFAOYSA-N -2 3 350.343 0.714 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c(Br)n1 ZINC001600967652 970889223 /nfs/dbraw/zinc/88/92/23/970889223.db2.gz CVMPYVHKOMSHRY-UHFFFAOYSA-N -2 3 352.210 0.858 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001601375870 970986964 /nfs/dbraw/zinc/98/69/64/970986964.db2.gz CVEWHELJHJRMDX-SVRRBLITSA-N -2 3 360.164 0.081 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000826175252 947541397 /nfs/dbraw/zinc/54/13/97/947541397.db2.gz YGAJONJRUGSHMW-NSHDSACASA-N -2 3 361.358 0.624 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000826174962 947542445 /nfs/dbraw/zinc/54/24/45/947542445.db2.gz OJOOJNBCDNNAST-MRXNPFEDSA-N -2 3 361.358 0.624 20 0 FCADHL CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001574082669 948859217 /nfs/dbraw/zinc/85/92/17/948859217.db2.gz GTDGCPAYYJPBSO-NSHDSACASA-N -2 3 361.374 0.830 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1nc(=O)o[n-]1 ZINC001573821914 949781303 /nfs/dbraw/zinc/78/13/03/949781303.db2.gz FGIYAEAPVROPPX-LBPRGKRZSA-N -2 3 357.374 0.989 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1nc(=O)o[n-]1 ZINC001573821914 949781320 /nfs/dbraw/zinc/78/13/20/949781320.db2.gz FGIYAEAPVROPPX-LBPRGKRZSA-N -2 3 357.374 0.989 20 0 FCADHL O=S(=O)([N-][C@@H]1C[C@@H]2CC[C@H]1O2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001570983197 950673090 /nfs/dbraw/zinc/67/30/90/950673090.db2.gz NEYPHQDSTPBFPK-WHGOUJPWSA-N -2 3 357.342 0.743 20 0 FCADHL C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001575925123 950680643 /nfs/dbraw/zinc/68/06/43/950680643.db2.gz STGFISPUUYCZSQ-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001575925123 950680654 /nfs/dbraw/zinc/68/06/54/950680654.db2.gz STGFISPUUYCZSQ-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1nccnc1-c1nnn[n-]1 ZINC001574765022 950771233 /nfs/dbraw/zinc/77/12/33/950771233.db2.gz BWDZRODQKUKIQO-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1nccnc1-c1nn[n-]n1 ZINC001574765022 950771240 /nfs/dbraw/zinc/77/12/40/950771240.db2.gz BWDZRODQKUKIQO-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574765676 950797666 /nfs/dbraw/zinc/79/76/66/950797666.db2.gz JJGUQWHGEZYKGK-VIFPVBQESA-N -2 3 355.362 0.330 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574765676 950797680 /nfs/dbraw/zinc/79/76/80/950797680.db2.gz JJGUQWHGEZYKGK-VIFPVBQESA-N -2 3 355.362 0.330 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571020596 951392859 /nfs/dbraw/zinc/39/28/59/951392859.db2.gz PKFWKJYGJIDAAG-QGZVFWFLSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571031202 951525527 /nfs/dbraw/zinc/52/55/27/951525527.db2.gz FVKJKEAYKRRTBV-JTQLQIEISA-N -2 3 367.373 0.332 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571031202 951525537 /nfs/dbraw/zinc/52/55/37/951525537.db2.gz FVKJKEAYKRRTBV-JTQLQIEISA-N -2 3 367.373 0.332 20 0 FCADHL O=C([O-])CN1CCC[C@H](C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)C1=O ZINC001595083429 951709206 /nfs/dbraw/zinc/70/92/06/951709206.db2.gz KUXQQTVAWMEYLL-JTQLQIEISA-N -2 3 360.370 0.225 20 0 FCADHL O=C([O-])CN1CCCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1=O ZINC001595097122 951827975 /nfs/dbraw/zinc/82/79/75/951827975.db2.gz VIBFPLKPUXYDNL-LLVKDONJSA-N -2 3 362.354 0.709 20 0 FCADHL CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001593780031 954636946 /nfs/dbraw/zinc/63/69/46/954636946.db2.gz HQSLYZKGWOZORI-IVZWLZJFSA-N -2 3 351.325 0.203 20 0 FCADHL Cn1ccnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000071275854 957715957 /nfs/dbraw/zinc/71/59/57/957715957.db2.gz FBIWEJCRYFJACI-UHFFFAOYSA-N -2 3 364.177 0.952 20 0 FCADHL CN1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CC1=O ZINC000390546501 972292682 /nfs/dbraw/zinc/29/26/82/972292682.db2.gz OELCLUHLTZDLQE-ZETCQYMHSA-N -2 3 350.755 0.686 20 0 FCADHL C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000391824409 972379355 /nfs/dbraw/zinc/37/93/55/972379355.db2.gz VXRNTVPOMNYDPE-CPFSXVBKSA-N -2 3 367.782 0.996 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594169627 958978097 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0.067 20 0 FCADHL C[C@](CO)([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000313590069 963668841 /nfs/dbraw/zinc/66/88/41/963668841.db2.gz WBXDNMHRVVGTRK-SNVBAGLBSA-N -2 3 356.169 0.702 20 0 FCADHL O=C([O-])COCCOCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC001606285651 973681304 /nfs/dbraw/zinc/68/13/04/973681304.db2.gz CGZITOHAALNSPR-UHFFFAOYSA-N -2 3 372.321 0.497 20 0 FCADHL COc1cccc([O-])c1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001604871283 974120984 /nfs/dbraw/zinc/12/09/84/974120984.db2.gz PDIMFCWPFUNLMX-LLVKDONJSA-N -2 3 362.382 0.939 20 0 FCADHL CCOC(=O)c1nc(C2CCN(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)n[n-]1 ZINC001603819008 974300779 /nfs/dbraw/zinc/30/07/79/974300779.db2.gz PTMZQDMEBYZWFU-XYPYZODXSA-N -2 3 365.390 0.734 20 0 FCADHL CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)[n-]1 ZINC001603819008 974300786 /nfs/dbraw/zinc/30/07/86/974300786.db2.gz PTMZQDMEBYZWFU-XYPYZODXSA-N -2 3 365.390 0.734 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(CO)C(=O)[O-])ccc1F ZINC001591669297 975428370 /nfs/dbraw/zinc/42/83/70/975428370.db2.gz QRKPMKXJTRKLAN-AWEZNQCLSA-N -2 3 362.379 0.078 20 0 FCADHL CCCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@H](C)C(=O)[O-] ZINC001595821401 982689420 /nfs/dbraw/zinc/68/94/20/982689420.db2.gz KTKJOWWWOJZGQA-SSDOTTSWSA-N -2 3 362.180 0.423 20 0 FCADHL CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001596452492 984158943 /nfs/dbraw/zinc/15/89/43/984158943.db2.gz XIINNBKXEFCLHD-LURJTMIESA-N -2 3 352.771 0.980 20 0 FCADHL CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@H]1CCCOC1 ZINC001596541266 984381210 /nfs/dbraw/zinc/38/12/10/984381210.db2.gz BQSCXVDFWIEGBS-JOYOIKCWSA-N -2 3 361.372 0.614 20 0 FCADHL CCOC(=O)[C@@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCOC1 ZINC001596554989 984426241 /nfs/dbraw/zinc/42/62/41/984426241.db2.gz HWBZEWFDOTVKFK-CQSZACIVSA-N -2 3 361.372 0.616 20 0 FCADHL CCOC(=O)CCS(=O)(=O)[N-]C1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001596613401 984575828 /nfs/dbraw/zinc/57/58/28/984575828.db2.gz AYUMWIIOFFGHEN-UHFFFAOYSA-N -2 3 365.404 0.046 20 0 FCADHL CCOC(=O)c1cn(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC001596735322 985021574 /nfs/dbraw/zinc/02/15/74/985021574.db2.gz LEAXZFIDHXFLDY-UHFFFAOYSA-N -2 3 357.344 0.330 20 0 FCADHL CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])[C@H]2C1 ZINC001589057505 985170833 /nfs/dbraw/zinc/17/08/33/985170833.db2.gz NMRVVKUAMCXOSQ-GARJFASQSA-N -2 3 373.456 0.767 20 0 FCADHL C[C@@H]1CN(CCC[N-]S(=O)(=O)c2scnc2C(=O)[O-])C[C@H](C)O1 ZINC001594528159 986093087 /nfs/dbraw/zinc/09/30/87/986093087.db2.gz QVOCFUFKENWIKE-AOOOYVTPSA-N -2 3 363.461 0.619 20 0 FCADHL C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001594642532 986805933 /nfs/dbraw/zinc/80/59/33/986805933.db2.gz KQCFZXCBENCOGU-WPPNPWJKSA-N -2 3 367.782 0.996 20 0 FCADHL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001594648436 986853028 /nfs/dbraw/zinc/85/30/28/986853028.db2.gz JDBUWQMPVIQXDD-INTQDDNPSA-N -2 3 374.440 0.648 20 0 FCADHL 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ZINC000826033548 607693881 /nfs/dbraw/zinc/69/38/81/607693881.db2.gz GVVGOHMVNUKOHL-UHFFFAOYSA-N -2 3 374.430 0.783 20 0 FCADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833737917 604688937 /nfs/dbraw/zinc/68/89/37/604688937.db2.gz NQMLMEWMEHPFBE-UHFFFAOYSA-N -3 3 371.396 0.952 20 0 FCADHL COC(=O)[C@]1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCSC1 ZINC000833701510 604702453 /nfs/dbraw/zinc/70/24/53/604702453.db2.gz DABKJHZOTVQMOF-JTQLQIEISA-N -2 3 352.415 0.168 20 0 FCADHL CC(C)([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)[O-] ZINC000833460606 604795967 /nfs/dbraw/zinc/79/59/67/604795967.db2.gz HGYXMPKEZWIMOH-UHFFFAOYSA-N -2 3 361.850 0.947 20 0 FCADHL C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833620967 605046303 /nfs/dbraw/zinc/04/63/03/605046303.db2.gz YSSUWKDHOANNLK-SCZZXKLOSA-N -2 3 373.456 0.767 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450533 607776981 /nfs/dbraw/zinc/77/69/81/607776981.db2.gz QGLACIHSSJIHQT-UHFFFAOYSA-N -2 3 354.298 0.592 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450533 607776982 /nfs/dbraw/zinc/77/69/82/607776982.db2.gz QGLACIHSSJIHQT-UHFFFAOYSA-N -2 3 354.298 0.592 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c[nH]1 ZINC000823387450 606338174 /nfs/dbraw/zinc/33/81/74/606338174.db2.gz KNPZECZXNHEXPR-UHFFFAOYSA-N -3 3 350.316 0.399 20 0 FCADHL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000822232266 606406096 /nfs/dbraw/zinc/40/60/96/606406096.db2.gz ZEFHVZOYUOSPSK-UHFFFAOYSA-N -2 3 360.399 0.941 20 0 FCADHL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000822232266 606406097 /nfs/dbraw/zinc/40/60/97/606406097.db2.gz ZEFHVZOYUOSPSK-UHFFFAOYSA-N -2 3 360.399 0.941 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000822645965 606408006 /nfs/dbraw/zinc/40/80/06/606408006.db2.gz YSWDUCYFHHOHHA-UHFFFAOYSA-N -2 3 360.399 0.508 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000822645965 606408007 /nfs/dbraw/zinc/40/80/07/606408007.db2.gz YSWDUCYFHHOHHA-UHFFFAOYSA-N -2 3 360.399 0.508 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000822645743 606409692 /nfs/dbraw/zinc/40/96/92/606409692.db2.gz MWXBNQCSGPWRSL-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000822645743 606409694 /nfs/dbraw/zinc/40/96/94/606409694.db2.gz MWXBNQCSGPWRSL-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823270093 606591212 /nfs/dbraw/zinc/59/12/12/606591212.db2.gz YFLGJQMDNSPFLX-UHFFFAOYSA-N -2 3 361.387 0.828 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CC(F)(F)C1 ZINC000823285646 606627674 /nfs/dbraw/zinc/62/76/74/606627674.db2.gz YAEXZUYBLMGAIA-UHFFFAOYSA-N -2 3 357.342 0.858 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CC(F)(F)C1 ZINC000823285646 606627676 /nfs/dbraw/zinc/62/76/76/606627676.db2.gz YAEXZUYBLMGAIA-UHFFFAOYSA-N -2 3 357.342 0.858 20 0 FCADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)N2CCCCC2)n1 ZINC000819971280 606706872 /nfs/dbraw/zinc/70/68/72/606706872.db2.gz HEVGYIWGROKYGG-UHFFFAOYSA-N -2 3 354.440 0.961 20 0 FCADHL CC(C)(C)n1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)N2CCCCC2)n1 ZINC000819971280 606706873 /nfs/dbraw/zinc/70/68/73/606706873.db2.gz HEVGYIWGROKYGG-UHFFFAOYSA-N -2 3 354.440 0.961 20 0 FCADHL CC(C)OCCS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000820146630 606708393 /nfs/dbraw/zinc/70/83/93/606708393.db2.gz POWYSHOXENBOIX-UHFFFAOYSA-N -2 3 357.440 0.985 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822941509 606746783 /nfs/dbraw/zinc/74/67/83/606746783.db2.gz YBQKACOGIPWQDQ-ZDUSSCGKSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822941509 606746785 /nfs/dbraw/zinc/74/67/85/606746785.db2.gz YBQKACOGIPWQDQ-ZDUSSCGKSA-N -2 3 365.415 0.772 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCSC1 ZINC000823284376 606800359 /nfs/dbraw/zinc/80/03/59/606800359.db2.gz FNOBOANKCQWNON-NSHDSACASA-N -2 3 353.429 0.566 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCSC1 ZINC000823284376 606800361 /nfs/dbraw/zinc/80/03/61/606800361.db2.gz FNOBOANKCQWNON-NSHDSACASA-N -2 3 353.429 0.566 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)O1 ZINC000820971312 606839292 /nfs/dbraw/zinc/83/92/92/606839292.db2.gz BDKKPJSGWJDKFX-AAEUAGOBSA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)O1 ZINC000820971312 606839294 /nfs/dbraw/zinc/83/92/94/606839294.db2.gz BDKKPJSGWJDKFX-AAEUAGOBSA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820973645 606839451 /nfs/dbraw/zinc/83/94/51/606839451.db2.gz YUPYOSKSXBZRIT-QWHCGFSZSA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820973645 606839452 /nfs/dbraw/zinc/83/94/52/606839452.db2.gz YUPYOSKSXBZRIT-QWHCGFSZSA-N -2 3 365.415 0.770 20 0 FCADHL O=S(=O)([N-]CCn1ccnc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578019 606885639 /nfs/dbraw/zinc/88/56/39/606885639.db2.gz FOZOMHNTRVBJHS-UHFFFAOYSA-N -2 3 355.330 0.320 20 0 FCADHL Cc1nn2c(SCc3ccc(F)c(-c4nnn[n-]4)c3)n[n-]c2nc1=O ZINC000822505233 607008311 /nfs/dbraw/zinc/00/83/11/607008311.db2.gz DICNVTHAYCABEQ-UHFFFAOYSA-N -2 3 359.350 0.733 20 0 FCADHL Cc1nn2c(SCc3ccc(F)c(-c4nn[n-]n4)c3)n[n-]c2nc1=O ZINC000822505233 607008312 /nfs/dbraw/zinc/00/83/12/607008312.db2.gz DICNVTHAYCABEQ-UHFFFAOYSA-N -2 3 359.350 0.733 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822459143 607106803 /nfs/dbraw/zinc/10/68/03/607106803.db2.gz NONSBRRHBPGDES-UHFFFAOYSA-N -2 3 371.386 0.870 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822459143 607106805 /nfs/dbraw/zinc/10/68/05/607106805.db2.gz NONSBRRHBPGDES-UHFFFAOYSA-N -2 3 371.386 0.870 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000820542861 607110276 /nfs/dbraw/zinc/11/02/76/607110276.db2.gz RRKVTDJZTPTFFX-GHMZBOCLSA-N -2 3 361.358 0.336 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000820542861 607110278 /nfs/dbraw/zinc/11/02/78/607110278.db2.gz RRKVTDJZTPTFFX-GHMZBOCLSA-N -2 3 361.358 0.336 20 0 FCADHL Cc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822471486 607184860 /nfs/dbraw/zinc/18/48/60/607184860.db2.gz DNQSCJYNXYDEOA-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822471486 607184861 /nfs/dbraw/zinc/18/48/61/607184861.db2.gz DNQSCJYNXYDEOA-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000820056156 607206515 /nfs/dbraw/zinc/20/65/15/607206515.db2.gz NDZORXINGHNYQK-GFCCVEGCSA-N -2 3 353.404 0.785 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825643394 607776540 /nfs/dbraw/zinc/77/65/40/607776540.db2.gz NOKAYTYBDFODOO-UHFFFAOYSA-N -2 3 362.371 0.712 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825643394 607776541 /nfs/dbraw/zinc/77/65/41/607776541.db2.gz NOKAYTYBDFODOO-UHFFFAOYSA-N -2 3 362.371 0.712 20 0 FCADHL CCOC(=O)Nc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1-c1nnn[n-]1 ZINC000825532646 607780670 /nfs/dbraw/zinc/78/06/70/607780670.db2.gz WDMBBEHBLGYXNZ-UHFFFAOYSA-N -2 3 358.318 0.250 20 0 FCADHL CCOC(=O)Nc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1-c1nn[n-]n1 ZINC000825532646 607780671 /nfs/dbraw/zinc/78/06/71/607780671.db2.gz WDMBBEHBLGYXNZ-UHFFFAOYSA-N -2 3 358.318 0.250 20 0 FCADHL CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376965 607796467 /nfs/dbraw/zinc/79/64/67/607796467.db2.gz QIZHLFXMUTUKDJ-UHFFFAOYSA-N -2 3 365.357 0.304 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000824044873 607922158 /nfs/dbraw/zinc/92/21/58/607922158.db2.gz ADOYCVHPWHCEHF-SNVBAGLBSA-N -2 3 365.415 0.734 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000824044873 607922159 /nfs/dbraw/zinc/92/21/59/607922159.db2.gz ADOYCVHPWHCEHF-SNVBAGLBSA-N -2 3 365.415 0.734 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826409452 607985599 /nfs/dbraw/zinc/98/55/99/607985599.db2.gz ZOOPHVCFESTMJS-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826409452 607985600 /nfs/dbraw/zinc/98/56/00/607985600.db2.gz ZOOPHVCFESTMJS-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826403192 607985663 /nfs/dbraw/zinc/98/56/63/607985663.db2.gz LWVGXYMDOPPMII-SNAWJCMRSA-N -2 3 374.357 0.919 20 0 FCADHL O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826403192 607985664 /nfs/dbraw/zinc/98/56/64/607985664.db2.gz LWVGXYMDOPPMII-SNAWJCMRSA-N -2 3 374.357 0.919 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826461321 608010937 /nfs/dbraw/zinc/01/09/37/608010937.db2.gz PRHQODVAXDZZLK-UHFFFAOYSA-N -2 3 355.351 0.491 20 0 FCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826461524 608012108 /nfs/dbraw/zinc/01/21/08/608012108.db2.gz YGKJWMBNTFXZDA-CQSZACIVSA-N -2 3 373.394 0.841 20 0 FCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826461524 608012109 /nfs/dbraw/zinc/01/21/09/608012109.db2.gz YGKJWMBNTFXZDA-CQSZACIVSA-N -2 3 373.394 0.841 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(C(N)=O)nc1 ZINC000826256093 608219843 /nfs/dbraw/zinc/21/98/43/608219843.db2.gz UUUQAGQGGIECNH-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000825759669 608306484 /nfs/dbraw/zinc/30/64/84/608306484.db2.gz MTHNHNNEQZRORI-UHFFFAOYSA-N -2 3 351.396 0.249 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)nc1C ZINC000825804870 608822287 /nfs/dbraw/zinc/82/22/87/608822287.db2.gz ICLOQGLTWQJVKA-UHFFFAOYSA-N -2 3 367.416 0.572 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)nc1C ZINC000825804870 608822290 /nfs/dbraw/zinc/82/22/90/608822290.db2.gz ICLOQGLTWQJVKA-UHFFFAOYSA-N -2 3 367.416 0.572 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825662951 609256338 /nfs/dbraw/zinc/25/63/38/609256338.db2.gz FWLHTVPTXYRGHS-GFCCVEGCSA-N -2 3 350.404 0.301 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824961599 609312433 /nfs/dbraw/zinc/31/24/33/609312433.db2.gz DOMIEKOXWPQPQN-SECBINFHSA-N -2 3 354.440 0.817 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824961599 609312436 /nfs/dbraw/zinc/31/24/36/609312436.db2.gz DOMIEKOXWPQPQN-SECBINFHSA-N -2 3 354.440 0.817 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826249521 609366687 /nfs/dbraw/zinc/36/66/87/609366687.db2.gz GVTDCRKHFOGSOG-LLVKDONJSA-N -2 3 351.388 0.414 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826249521 609366690 /nfs/dbraw/zinc/36/66/90/609366690.db2.gz GVTDCRKHFOGSOG-LLVKDONJSA-N -2 3 351.388 0.414 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826155072 609386335 /nfs/dbraw/zinc/38/63/35/609386335.db2.gz FQYHZUXRICHIHB-LLVKDONJSA-N -2 3 367.431 0.875 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826155072 609386337 /nfs/dbraw/zinc/38/63/37/609386337.db2.gz FQYHZUXRICHIHB-LLVKDONJSA-N -2 3 367.431 0.875 20 0 FCADHL CN1C(=O)CN([N-]C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000826009959 609467790 /nfs/dbraw/zinc/46/77/90/609467790.db2.gz ALUOTIDGVJRSRR-UHFFFAOYSA-N -2 3 370.156 0.712 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000031550911 666119498 /nfs/dbraw/zinc/11/94/98/666119498.db2.gz BIOZAKPTZQUDPC-UHFFFAOYSA-N -2 3 368.327 0.171 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(N(C)C)c2)o1 ZINC000031578272 666168737 /nfs/dbraw/zinc/16/87/37/666168737.db2.gz BDRKVXVIWLNKMF-UHFFFAOYSA-N -2 3 366.399 0.329 20 0 FCADHL COc1cc[n-]c(=NNS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)n1 ZINC000756931607 667691890 /nfs/dbraw/zinc/69/18/90/667691890.db2.gz UZXGJLDMZXGQCB-UHFFFAOYSA-N -2 3 360.298 0.767 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCO[C@H]1CCOC1 ZINC000923256485 667819716 /nfs/dbraw/zinc/81/97/16/667819716.db2.gz YRNFSKBDKMMBNS-DCAQKATOSA-N -2 3 354.325 0.388 20 0 FCADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)[N-]OCc1ccccc1 ZINC000770113887 668173047 /nfs/dbraw/zinc/17/30/47/668173047.db2.gz UQUKSCJRXBUSRX-CQSZACIVSA-N -2 3 372.443 0.742 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)c(C)o1 ZINC000774967907 668188620 /nfs/dbraw/zinc/18/86/20/668188620.db2.gz QRKISVTUTRRARU-UHFFFAOYSA-N -2 3 372.321 0.722 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000776635809 668281328 /nfs/dbraw/zinc/28/13/28/668281328.db2.gz UCPJGCHZPSYPSK-QMMMGPOBSA-N -3 3 363.319 0.066 20 0 FCADHL CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784899518 668681078 /nfs/dbraw/zinc/68/10/78/668681078.db2.gz ZHWDLSWZFIPCJR-MRVPVSSYSA-N -2 3 368.408 0.427 20 0 FCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-])s1 ZINC000787933752 668815924 /nfs/dbraw/zinc/81/59/24/668815924.db2.gz IUZFDIACSYXFES-ZETCQYMHSA-N -2 3 365.385 0.254 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000821460715 669198466 /nfs/dbraw/zinc/19/84/66/669198466.db2.gz AYISGYRLSHFDKP-CABZTGNLSA-N -2 3 353.404 0.785 20 0 FCADHL COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821657684 669209456 /nfs/dbraw/zinc/20/94/56/669209456.db2.gz TWSONZKJDHKNDD-SECBINFHSA-N -2 3 367.387 0.012 20 0 FCADHL COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821657684 669209460 /nfs/dbraw/zinc/20/94/60/669209460.db2.gz TWSONZKJDHKNDD-SECBINFHSA-N -2 3 367.387 0.012 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000824377624 669387290 /nfs/dbraw/zinc/38/72/90/669387290.db2.gz IYGZYNIYDJYDHS-UHFFFAOYSA-N -2 3 350.364 0.091 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000824377624 669387291 /nfs/dbraw/zinc/38/72/91/669387291.db2.gz IYGZYNIYDJYDHS-UHFFFAOYSA-N -2 3 350.364 0.091 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1=O ZINC000824867152 669422012 /nfs/dbraw/zinc/42/20/12/669422012.db2.gz OIOPWWMEJDUJMH-ONGXEEELSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC000824867152 669422015 /nfs/dbraw/zinc/42/20/15/669422015.db2.gz OIOPWWMEJDUJMH-ONGXEEELSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824868883 669422103 /nfs/dbraw/zinc/42/21/03/669422103.db2.gz XFSFUSJAGBSCDH-ONGXEEELSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824868883 669422108 /nfs/dbraw/zinc/42/21/08/669422108.db2.gz XFSFUSJAGBSCDH-ONGXEEELSA-N -2 3 351.388 0.487 20 0 FCADHL CCn1nc(C)c(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)n1 ZINC000829707264 669719591 /nfs/dbraw/zinc/71/95/91/669719591.db2.gz XRWZWAHEBLZIKW-UHFFFAOYSA-N -2 3 360.417 0.853 20 0 FCADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CCOCC1 ZINC000837291022 670095223 /nfs/dbraw/zinc/09/52/23/670095223.db2.gz CEWIPBIPJKKNHI-UHFFFAOYSA-N -2 3 361.763 0.788 20 0 FCADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000837296692 670097473 /nfs/dbraw/zinc/09/74/73/670097473.db2.gz RKDULKACEQYZAV-MRVPVSSYSA-N -2 3 350.755 0.926 20 0 FCADHL C[C@](O)(C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000841783048 670609957 /nfs/dbraw/zinc/60/99/57/670609957.db2.gz KGCNEIHJFFNBLM-VIFPVBQESA-N -2 3 373.612 0.611 20 0 FCADHL CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])cc2C1 ZINC000849218402 671321835 /nfs/dbraw/zinc/32/18/35/671321835.db2.gz BKBXBTARLWJBCL-SECBINFHSA-N -2 3 350.393 0.354 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000971902094 1171329395 /nfs/dbraw/zinc/32/93/95/1171329395.db2.gz HIVQSVYRDVDJGJ-VXGBXAGGSA-N -2 3 369.381 0.578 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1ccccc1[O-] ZINC000989113281 1192687630 /nfs/dbraw/zinc/68/76/30/1192687630.db2.gz ATKSIOPDIACDEJ-SCZZXKLOSA-N -2 3 359.342 0.021 20 0 FCADHL CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)c2ncccc2[O-])cc(=O)[n-]1 ZINC000984134111 1189499913 /nfs/dbraw/zinc/49/99/13/1189499913.db2.gz AMBALIKUJLBRJO-ZYHUDNBSSA-N -2 3 371.397 0.875 20 0 FCADHL COC(=O)c1sc2[nH]cnc(=Nc3[n-]c(=O)nc4[n-]c(=O)[nH]c43)c2c1C ZINC001170218154 1201201126 /nfs/dbraw/zinc/20/11/26/1201201126.db2.gz RGILZCFRTSDMND-UHFFFAOYSA-N -2 3 373.354 0.981 20 0 FCADHL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001170382088 1201210347 /nfs/dbraw/zinc/21/03/47/1201210347.db2.gz CEZHVZWOOCSZFF-CYBMUJFWSA-N -2 3 369.385 0.867 20 0 FCADHL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)n1 ZINC001170382088 1201210353 /nfs/dbraw/zinc/21/03/53/1201210353.db2.gz CEZHVZWOOCSZFF-CYBMUJFWSA-N -2 3 369.385 0.867 20 0 FCADHL Cc1cc(C)c(C(N)=O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185566536 1206482072 /nfs/dbraw/zinc/48/20/72/1206482072.db2.gz PQWJLYBWKJLBJV-UHFFFAOYSA-N -2 3 373.398 0.778 20 0 FCADHL Cc1cc(C)c(C(N)=O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185566536 1206482073 /nfs/dbraw/zinc/48/20/73/1206482073.db2.gz PQWJLYBWKJLBJV-UHFFFAOYSA-N -2 3 373.398 0.778 20 0 FCADHL O=C([O-])C[C@H](O)C(=O)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228119002 1225895646 /nfs/dbraw/zinc/89/56/46/1225895646.db2.gz ALMLNEKHDUXBOK-ZDUSSCGKSA-N -3 3 362.290 0.775 20 0 FCADHL O=C(NN1CC(=O)[N-]C1=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000752698393 1220080528 /nfs/dbraw/zinc/08/05/28/1220080528.db2.gz XYXXCOJWYWELOY-UHFFFAOYSA-N -2 3 374.378 0.684 20 0 FCADHL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)ncc1-c1ccccc1)[C@H](O)C(=O)[O-] ZINC001230974969 1226093060 /nfs/dbraw/zinc/09/30/60/1226093060.db2.gz OGNIAEYNNHGROM-CABZTGNLSA-N -3 3 362.294 0.291 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001085013610 1258519415 /nfs/dbraw/zinc/51/94/15/1258519415.db2.gz VAGHBBIAKDUIDS-MNOVXSKESA-N -2 3 359.390 0.051 20 0 FCADHL O=C([N-]c1nnco1)c1nnc2n1CCN(C(=O)c1cccc([S-])c1)C2 ZINC001278680937 1260717378 /nfs/dbraw/zinc/71/73/78/1260717378.db2.gz NZWWISKTQJIBCP-UHFFFAOYSA-N -2 3 371.382 0.858 20 0 FCADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC001321047920 1263900098 /nfs/dbraw/zinc/90/00/98/1263900098.db2.gz AHPLHMLXUBDSFN-SNVBAGLBSA-N -2 3 368.401 0.870 20 0 FCADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCc1nnn[n-]1 ZINC001542881583 1267510399 /nfs/dbraw/zinc/51/03/99/1267510399.db2.gz NRUVCVJEIQEDRT-UHFFFAOYSA-N -2 3 365.202 0.101 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575354840 1271983635 /nfs/dbraw/zinc/98/36/35/1271983635.db2.gz BJXMHAVUZVZPAO-UWVGGRQHSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575356082 1271988136 /nfs/dbraw/zinc/98/81/36/1271988136.db2.gz LZXAQGWQMNDBFS-ZJUUUORDSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575356082 1271988145 /nfs/dbraw/zinc/98/81/45/1271988145.db2.gz LZXAQGWQMNDBFS-ZJUUUORDSA-N -2 3 354.374 0.981 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580719755 1278794658 /nfs/dbraw/zinc/79/46/58/1278794658.db2.gz LQFLLAARZZBSQX-SECBINFHSA-N -2 3 369.389 0.544 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580719755 1278794665 /nfs/dbraw/zinc/79/46/65/1278794665.db2.gz LQFLLAARZZBSQX-SECBINFHSA-N -2 3 369.389 0.544 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001580722063 1278799843 /nfs/dbraw/zinc/79/98/43/1278799843.db2.gz DDAAGTOUYOOBJJ-SNVBAGLBSA-N -2 3 369.389 0.638 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001580722063 1278799851 /nfs/dbraw/zinc/79/98/51/1278799851.db2.gz DDAAGTOUYOOBJJ-SNVBAGLBSA-N -2 3 369.389 0.638 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1ncccc1-c1nnn[n-]1 ZINC001576916822 1273936721 /nfs/dbraw/zinc/93/67/21/1273936721.db2.gz HALZVCCCBQYRBC-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1ncccc1-c1nn[n-]n1 ZINC001576916822 1273936723 /nfs/dbraw/zinc/93/67/23/1273936723.db2.gz HALZVCCCBQYRBC-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578927500 1276467448 /nfs/dbraw/zinc/46/74/48/1276467448.db2.gz FHUBZUVUVUVHQR-UHFFFAOYSA-N -2 3 374.386 0.305 20 0 FCADHL CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578927500 1276467454 /nfs/dbraw/zinc/46/74/54/1276467454.db2.gz FHUBZUVUVUVHQR-UHFFFAOYSA-N -2 3 374.386 0.305 20 0 FCADHL CN(CCNC(=O)c1ncccc1[O-])c1ncc(-c2nnn[n-]2)cc1F ZINC001579204820 1276990726 /nfs/dbraw/zinc/99/07/26/1276990726.db2.gz XAOVWKBQICBCTC-UHFFFAOYSA-N -2 3 358.337 0.368 20 0 FCADHL CN(CCNC(=O)c1ncccc1[O-])c1ncc(-c2nn[n-]n2)cc1F ZINC001579204820 1276990728 /nfs/dbraw/zinc/99/07/28/1276990728.db2.gz XAOVWKBQICBCTC-UHFFFAOYSA-N -2 3 358.337 0.368 20 0 FCADHL CN(c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579271213 1277072523 /nfs/dbraw/zinc/07/25/23/1277072523.db2.gz APARJECAHMMOAG-GFCCVEGCSA-N -2 3 366.385 0.713 20 0 FCADHL CN(c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579271213 1277072524 /nfs/dbraw/zinc/07/25/24/1277072524.db2.gz APARJECAHMMOAG-GFCCVEGCSA-N -2 3 366.385 0.713 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ccc(-c2nnn[n-]2)cn1 ZINC001579488462 1277398401 /nfs/dbraw/zinc/39/84/01/1277398401.db2.gz FRUHJNRNGMFHNY-UHFFFAOYSA-N -2 3 364.343 0.120 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ccc(-c2nn[n-]n2)cn1 ZINC001579488462 1277398408 /nfs/dbraw/zinc/39/84/08/1277398408.db2.gz FRUHJNRNGMFHNY-UHFFFAOYSA-N -2 3 364.343 0.120 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ccc(-c2nnn[n-]2)s1 ZINC001579488986 1277400264 /nfs/dbraw/zinc/40/02/64/1277400264.db2.gz XTTHZIMBHAYIKY-UHFFFAOYSA-N -2 3 369.384 0.786 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ccc(-c2nn[n-]n2)s1 ZINC001579488986 1277400272 /nfs/dbraw/zinc/40/02/72/1277400272.db2.gz XTTHZIMBHAYIKY-UHFFFAOYSA-N -2 3 369.384 0.786 20 0 FCADHL CCOCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)o1 ZINC001609241825 1289014586 /nfs/dbraw/zinc/01/45/86/1289014586.db2.gz XYUOABNYYUPCTF-UHFFFAOYSA-N -2 3 365.375 0.895 20 0 FCADHL CCOCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)o1 ZINC001609241825 1289014592 /nfs/dbraw/zinc/01/45/92/1289014592.db2.gz XYUOABNYYUPCTF-UHFFFAOYSA-N -2 3 365.375 0.895 20 0 FCADHL CC(C)[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001603219136 1287334892 /nfs/dbraw/zinc/33/48/92/1287334892.db2.gz BUIOOWUSAOUQTH-JTQLQIEISA-N -2 3 357.367 0.641 20 0 FCADHL CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001603264146 1287343813 /nfs/dbraw/zinc/34/38/13/1287343813.db2.gz ZWRKQWVIBBNJRL-LLVKDONJSA-N -2 3 360.374 0.668 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(NCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001581125620 1279424971 /nfs/dbraw/zinc/42/49/71/1279424971.db2.gz XKSXRUWHBOQSFQ-UHFFFAOYSA-N -2 3 354.374 0.855 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581127091 1279428013 /nfs/dbraw/zinc/42/80/13/1279428013.db2.gz LGSORVFKOJGBHX-QMMMGPOBSA-N -2 3 357.378 0.538 20 0 FCADHL CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)no1 ZINC001609241495 1289014795 /nfs/dbraw/zinc/01/47/95/1289014795.db2.gz BCFDDOREVCOEMS-ZETCQYMHSA-N -2 3 369.363 0.419 20 0 FCADHL CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)no1 ZINC001609241495 1289014800 /nfs/dbraw/zinc/01/48/00/1289014800.db2.gz BCFDDOREVCOEMS-ZETCQYMHSA-N -2 3 369.363 0.419 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001603447985 1287374741 /nfs/dbraw/zinc/37/47/41/1287374741.db2.gz BZWMMOAPUYMCKN-CMPLNLGQSA-N -2 3 365.415 0.877 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001603447985 1287374743 /nfs/dbraw/zinc/37/47/43/1287374743.db2.gz BZWMMOAPUYMCKN-CMPLNLGQSA-N -2 3 365.415 0.877 20 0 FCADHL CC(C)(C)OC(=O)NC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001603452007 1287376004 /nfs/dbraw/zinc/37/60/04/1287376004.db2.gz BQJXBKZOOXQJKL-JTQLQIEISA-N -2 3 374.419 0.690 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)c1[O-] ZINC001581391533 1279821844 /nfs/dbraw/zinc/82/18/44/1279821844.db2.gz KJORNVFWBSBRAE-VIFPVBQESA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)c1[O-] ZINC001581391533 1279821852 /nfs/dbraw/zinc/82/18/52/1279821852.db2.gz KJORNVFWBSBRAE-VIFPVBQESA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)c1[O-] ZINC001581391532 1279821960 /nfs/dbraw/zinc/82/19/60/1279821960.db2.gz KJORNVFWBSBRAE-SECBINFHSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)c1[O-] ZINC001581391532 1279821967 /nfs/dbraw/zinc/82/19/67/1279821967.db2.gz KJORNVFWBSBRAE-SECBINFHSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)c1[O-] ZINC001581393007 1279831316 /nfs/dbraw/zinc/83/13/16/1279831316.db2.gz YFUYADLAUZFDKA-HOMQSWHASA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)c1[O-] ZINC001581393007 1279831327 /nfs/dbraw/zinc/83/13/27/1279831327.db2.gz YFUYADLAUZFDKA-HOMQSWHASA-N -2 3 369.389 0.619 20 0 FCADHL Cc1nsc(N(C)[C@H](C)CNC(=O)c2ncccc2[O-])c1-c1nnn[n-]1 ZINC001581659602 1280370011 /nfs/dbraw/zinc/37/00/11/1280370011.db2.gz NNEWNMNTSBTIRS-MRVPVSSYSA-N -2 3 374.430 0.987 20 0 FCADHL Cc1nsc(N(C)[C@H](C)CNC(=O)c2ncccc2[O-])c1-c1nn[n-]n1 ZINC001581659602 1280370017 /nfs/dbraw/zinc/37/00/17/1280370017.db2.gz NNEWNMNTSBTIRS-MRVPVSSYSA-N -2 3 374.430 0.987 20 0 FCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001603707789 1287477561 /nfs/dbraw/zinc/47/75/61/1287477561.db2.gz IMNCABFGRBCNIS-SNVBAGLBSA-N -2 3 361.358 0.384 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1(F)F ZINC001603748294 1287486287 /nfs/dbraw/zinc/48/62/87/1287486287.db2.gz LXSJIVBAWQAIBT-LBPRGKRZSA-N -2 3 357.342 0.858 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1(F)F ZINC001603748294 1287486289 /nfs/dbraw/zinc/48/62/89/1287486289.db2.gz LXSJIVBAWQAIBT-LBPRGKRZSA-N -2 3 357.342 0.858 20 0 FCADHL O=C(NC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1)c1ncccc1[O-] ZINC001582364409 1281418168 /nfs/dbraw/zinc/41/81/68/1281418168.db2.gz ZKLPKFSAUHRTAZ-ZDUSSCGKSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1)c1ncccc1[O-] ZINC001582364409 1281418172 /nfs/dbraw/zinc/41/81/72/1281418172.db2.gz ZKLPKFSAUHRTAZ-ZDUSSCGKSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)c1ncccc1[O-] ZINC001582445959 1281543719 /nfs/dbraw/zinc/54/37/19/1281543719.db2.gz GYNYOKUUYKUXRT-GFCCVEGCSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844695 1287515445 /nfs/dbraw/zinc/51/54/45/1287515445.db2.gz INHHWEGKMCBZIF-KOLCDFICSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844696 1287515747 /nfs/dbraw/zinc/51/57/47/1287515747.db2.gz INHHWEGKMCBZIF-MWLCHTKSSA-N -2 3 358.358 0.374 20 0 FCADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cnn(C)c1Br)C(=O)[O-] ZINC001603848926 1287518068 /nfs/dbraw/zinc/51/80/68/1287518068.db2.gz RMWSVKXCGZDBHE-ZETCQYMHSA-N -2 3 354.226 0.960 20 0 FCADHL O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582534679 1281723454 /nfs/dbraw/zinc/72/34/54/1281723454.db2.gz BFYALASVWLWNDZ-KLPPZKSPSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(Nc1ccc(-c2nnn[n-]2)cn1)N1CCC(n2c(=O)[n-][nH]c2=O)CC1 ZINC001582638187 1281835429 /nfs/dbraw/zinc/83/54/29/1281835429.db2.gz DGZBCIYGGMQWBO-UHFFFAOYSA-N -2 3 372.349 0.133 20 0 FCADHL O=C(c1ccccc1[O-])N1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001582712055 1281917362 /nfs/dbraw/zinc/91/73/62/1281917362.db2.gz ASDYOECZZOJXFX-NSHDSACASA-N -2 3 366.385 0.501 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001582751328 1281976074 /nfs/dbraw/zinc/97/60/74/1281976074.db2.gz BMKKRKFRRQDTHO-VIFPVBQESA-N -2 3 353.346 0.084 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001582751328 1281976078 /nfs/dbraw/zinc/97/60/78/1281976078.db2.gz BMKKRKFRRQDTHO-VIFPVBQESA-N -2 3 353.346 0.084 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001582790729 1282008109 /nfs/dbraw/zinc/00/81/09/1282008109.db2.gz MLUYGCSXYUFGED-UHFFFAOYSA-N -2 3 362.396 0.778 20 0 FCADHL O=c1cc(CN2CC[C@](O)(C(F)(F)F)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814701 1282035787 /nfs/dbraw/zinc/03/57/87/1282035787.db2.gz ROLWJDCBXSTDFR-GFCCVEGCSA-N -2 3 370.295 0.114 20 0 FCADHL O=c1cc(CN2CCOCC23CCCC3)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814253 1282036131 /nfs/dbraw/zinc/03/61/31/1282036131.db2.gz BHXGMIBNQGZAKI-UHFFFAOYSA-N -2 3 356.390 0.760 20 0 FCADHL CCC(=O)C[C@@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(=O)[O-] ZINC001603966170 1287545011 /nfs/dbraw/zinc/54/50/11/1287545011.db2.gz UZRYNFHVBVGECX-LLVKDONJSA-N -2 3 367.387 0.276 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001604095129 1287569256 /nfs/dbraw/zinc/56/92/56/1287569256.db2.gz AFTOGROEKWJWPV-NWDGAFQWSA-N -2 3 351.388 0.741 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001604095129 1287569263 /nfs/dbraw/zinc/56/92/63/1287569263.db2.gz AFTOGROEKWJWPV-NWDGAFQWSA-N -2 3 351.388 0.741 20 0 FCADHL COc1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](c4nnn[n-]4)C3)n2)cc1 ZINC001588218171 1282408936 /nfs/dbraw/zinc/40/89/36/1282408936.db2.gz RXMVPCHJWGQSTO-SNVBAGLBSA-N -2 3 355.358 0.729 20 0 FCADHL COc1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)n2)cc1 ZINC001588218171 1282408937 /nfs/dbraw/zinc/40/89/37/1282408937.db2.gz RXMVPCHJWGQSTO-SNVBAGLBSA-N -2 3 355.358 0.729 20 0 FCADHL CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)c1 ZINC001588915843 1282728305 /nfs/dbraw/zinc/72/83/05/1282728305.db2.gz SFRBOSJUEAYFOV-VIFPVBQESA-N -2 3 371.357 0.713 20 0 FCADHL CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001588915843 1282728317 /nfs/dbraw/zinc/72/83/17/1282728317.db2.gz SFRBOSJUEAYFOV-VIFPVBQESA-N -2 3 371.357 0.713 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001589003110 1282763096 /nfs/dbraw/zinc/76/30/96/1282763096.db2.gz OGPULWOSEZELPS-SECBINFHSA-N -2 3 366.403 0.129 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001589003110 1282763108 /nfs/dbraw/zinc/76/31/08/1282763108.db2.gz OGPULWOSEZELPS-SECBINFHSA-N -2 3 366.403 0.129 20 0 FCADHL CCN([C@@H](C)C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001604268627 1287597589 /nfs/dbraw/zinc/59/75/89/1287597589.db2.gz SXZQDPIPISTSSB-QMMMGPOBSA-N -2 3 357.367 0.631 20 0 FCADHL CCN([C@@H](C)C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001604268627 1287597594 /nfs/dbraw/zinc/59/75/94/1287597594.db2.gz SXZQDPIPISTSSB-QMMMGPOBSA-N -2 3 357.367 0.631 20 0 FCADHL CC(C)[C@@H](CNC(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1)C(=O)[O-] ZINC001589446398 1282882062 /nfs/dbraw/zinc/88/20/62/1282882062.db2.gz JDXHGKAHPAZRSZ-CQSZACIVSA-N -2 3 374.401 0.996 20 0 FCADHL CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589442409 1282884060 /nfs/dbraw/zinc/88/40/60/1282884060.db2.gz QXZQIVYZXLREMD-ZDUSSCGKSA-N -2 3 374.401 0.298 20 0 FCADHL CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589442409 1282884069 /nfs/dbraw/zinc/88/40/69/1282884069.db2.gz QXZQIVYZXLREMD-ZDUSSCGKSA-N -2 3 374.401 0.298 20 0 FCADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001589487399 1282892999 /nfs/dbraw/zinc/89/29/99/1282892999.db2.gz BJXNXGNRCDMIST-SNVBAGLBSA-N -2 3 360.334 0.043 20 0 FCADHL CC(C)C[C@@H](CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589555878 1282908972 /nfs/dbraw/zinc/90/89/72/1282908972.db2.gz QDLXGENLORNFQO-JTQLQIEISA-N -2 3 353.404 0.892 20 0 FCADHL CC(C)C[C@@H](CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589555878 1282908984 /nfs/dbraw/zinc/90/89/84/1282908984.db2.gz QDLXGENLORNFQO-JTQLQIEISA-N -2 3 353.404 0.892 20 0 FCADHL CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589673140 1282934529 /nfs/dbraw/zinc/93/45/29/1282934529.db2.gz VPDNDBBYDBIXSG-QMMMGPOBSA-N -2 3 357.367 0.878 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1=O ZINC001589665115 1282935016 /nfs/dbraw/zinc/93/50/16/1282935016.db2.gz MWXIYGZFTNHBND-UHFFFAOYSA-N -2 3 357.374 0.899 20 0 FCADHL CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)NCCCC(=O)[O-] ZINC001589695543 1282948073 /nfs/dbraw/zinc/94/80/73/1282948073.db2.gz RZALXNLQEWUSAW-UHFFFAOYSA-N -2 3 374.401 0.585 20 0 FCADHL CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)NCCCC(=O)[O-] ZINC001589695543 1282948085 /nfs/dbraw/zinc/94/80/85/1282948085.db2.gz RZALXNLQEWUSAW-UHFFFAOYSA-N -2 3 374.401 0.585 20 0 FCADHL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001589762911 1282985978 /nfs/dbraw/zinc/98/59/78/1282985978.db2.gz HQLCXBRPOGYALQ-SNVBAGLBSA-N -2 3 366.765 0.684 20 0 FCADHL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001589762911 1282985984 /nfs/dbraw/zinc/98/59/84/1282985984.db2.gz HQLCXBRPOGYALQ-SNVBAGLBSA-N -2 3 366.765 0.684 20 0 FCADHL CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)n1 ZINC001589762233 1282986079 /nfs/dbraw/zinc/98/60/79/1282986079.db2.gz KVFRIWYMWALOCV-UHFFFAOYSA-N -2 3 367.420 0.681 20 0 FCADHL CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)n1 ZINC001589762233 1282986086 /nfs/dbraw/zinc/98/60/86/1282986086.db2.gz KVFRIWYMWALOCV-UHFFFAOYSA-N -2 3 367.420 0.681 20 0 FCADHL CC(C)SCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001589761261 1282987119 /nfs/dbraw/zinc/98/71/19/1282987119.db2.gz DETPBFZETHPHLC-UHFFFAOYSA-N -2 3 355.445 0.954 20 0 FCADHL CC(C)SCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001589761261 1282987130 /nfs/dbraw/zinc/98/71/30/1282987130.db2.gz DETPBFZETHPHLC-UHFFFAOYSA-N -2 3 355.445 0.954 20 0 FCADHL CC(C)[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC001589763980 1282988437 /nfs/dbraw/zinc/98/84/37/1282988437.db2.gz LKVGDMFAZAQBAC-JTQLQIEISA-N -2 3 366.765 0.684 20 0 FCADHL CC(C)[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC001589763980 1282988451 /nfs/dbraw/zinc/98/84/51/1282988451.db2.gz LKVGDMFAZAQBAC-JTQLQIEISA-N -2 3 366.765 0.684 20 0 FCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[nH]n1 ZINC001589767935 1282993840 /nfs/dbraw/zinc/99/38/40/1282993840.db2.gz ZBJVJEOQJLVJHO-UHFFFAOYSA-N -2 3 361.387 0.832 20 0 FCADHL CC(C)n1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC001589782980 1282998077 /nfs/dbraw/zinc/99/80/77/1282998077.db2.gz KUKNAVRKUPOQAO-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL CC(C)n1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC001589782980 1282998085 /nfs/dbraw/zinc/99/80/85/1282998085.db2.gz KUKNAVRKUPOQAO-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL C[C@@H](CCNS(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589829311 1283067974 /nfs/dbraw/zinc/06/79/74/1283067974.db2.gz CVDFMJXNQUUBFX-ZETCQYMHSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@@H](CCNS(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589829311 1283067979 /nfs/dbraw/zinc/06/79/79/1283067979.db2.gz CVDFMJXNQUUBFX-ZETCQYMHSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]S(=O)(=O)c1cccn1C ZINC001589897907 1283113536 /nfs/dbraw/zinc/11/35/36/1283113536.db2.gz QAIPOYSVWURASY-NSHDSACASA-N -2 3 374.426 0.889 20 0 FCADHL C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)c1cccn1C ZINC001589897907 1283113541 /nfs/dbraw/zinc/11/35/41/1283113541.db2.gz QAIPOYSVWURASY-NSHDSACASA-N -2 3 374.426 0.889 20 0 FCADHL C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]S(=O)(=O)CCCF ZINC001589897335 1283114363 /nfs/dbraw/zinc/11/43/63/1283114363.db2.gz HBLXYEIMWBWOMZ-SNVBAGLBSA-N -2 3 355.395 0.851 20 0 FCADHL C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CCCF ZINC001589897335 1283114366 /nfs/dbraw/zinc/11/43/66/1283114366.db2.gz HBLXYEIMWBWOMZ-SNVBAGLBSA-N -2 3 355.395 0.851 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)[C@H](C)C(=O)[O-] ZINC001589976353 1283152583 /nfs/dbraw/zinc/15/25/83/1283152583.db2.gz QTGVVFUMLZLMTN-NKWVEPMBSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)[C@H](C)C(=O)[O-] ZINC001589976353 1283152585 /nfs/dbraw/zinc/15/25/85/1283152585.db2.gz QTGVVFUMLZLMTN-NKWVEPMBSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001589980334 1283155090 /nfs/dbraw/zinc/15/50/90/1283155090.db2.gz LTHVXTKBAUWNFI-IUCAKERBSA-N -2 3 355.362 0.833 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001590027703 1283182571 /nfs/dbraw/zinc/18/25/71/1283182571.db2.gz LHOFVYCQOSBJBG-NOZJJQNGSA-N -2 3 371.357 0.310 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001590027703 1283182578 /nfs/dbraw/zinc/18/25/78/1283182578.db2.gz LHOFVYCQOSBJBG-NOZJJQNGSA-N -2 3 371.357 0.310 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001590028937 1283182724 /nfs/dbraw/zinc/18/27/24/1283182724.db2.gz OACRKESXHNVWHH-SNVBAGLBSA-N -2 3 361.358 0.384 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001590028937 1283182726 /nfs/dbraw/zinc/18/27/26/1283182726.db2.gz OACRKESXHNVWHH-SNVBAGLBSA-N -2 3 361.358 0.384 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001590071636 1283201071 /nfs/dbraw/zinc/20/10/71/1283201071.db2.gz SBKCSDOASBSFAC-OAHLLOKOSA-N -2 3 362.321 0.268 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001590071636 1283201084 /nfs/dbraw/zinc/20/10/84/1283201084.db2.gz SBKCSDOASBSFAC-OAHLLOKOSA-N -2 3 362.321 0.268 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590071393 1283201417 /nfs/dbraw/zinc/20/14/17/1283201417.db2.gz LCBGBNMNVWMVMG-UHFFFAOYSA-N -2 3 351.388 0.742 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590071393 1283201421 /nfs/dbraw/zinc/20/14/21/1283201421.db2.gz LCBGBNMNVWMVMG-UHFFFAOYSA-N -2 3 351.388 0.742 20 0 FCADHL CC1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590071755 1283201733 /nfs/dbraw/zinc/20/17/33/1283201733.db2.gz WPCRSIXSUVGCPW-UHFFFAOYSA-N -2 3 358.358 0.519 20 0 FCADHL CC1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590071755 1283201736 /nfs/dbraw/zinc/20/17/36/1283201736.db2.gz WPCRSIXSUVGCPW-UHFFFAOYSA-N -2 3 358.358 0.519 20 0 FCADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590087844 1283209216 /nfs/dbraw/zinc/20/92/16/1283209216.db2.gz ZNUFPCQOHPMYQN-CQSZACIVSA-N -3 3 365.371 0.173 20 0 FCADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590087844 1283209226 /nfs/dbraw/zinc/20/92/26/1283209226.db2.gz ZNUFPCQOHPMYQN-CQSZACIVSA-N -3 3 365.371 0.173 20 0 FCADHL C[C@]12CCC(=O)N1[C@H](C(=O)[N-]Oc1cccc(-c3nnn[n-]3)c1)CS2 ZINC001590155785 1283251163 /nfs/dbraw/zinc/25/11/63/1283251163.db2.gz LFMUPSMFXUUCKO-NHYWBVRUSA-N -2 3 360.399 0.731 20 0 FCADHL C[C@]12CCC(=O)N1[C@H](C(=O)[N-]Oc1cccc(-c3nn[n-]n3)c1)CS2 ZINC001590155785 1283251168 /nfs/dbraw/zinc/25/11/68/1283251168.db2.gz LFMUPSMFXUUCKO-NHYWBVRUSA-N -2 3 360.399 0.731 20 0 FCADHL C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590162723 1283257086 /nfs/dbraw/zinc/25/70/86/1283257086.db2.gz DANUTPOSNXJGLI-RKDXNWHRSA-N -2 3 364.387 0.072 20 0 FCADHL C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590162723 1283257090 /nfs/dbraw/zinc/25/70/90/1283257090.db2.gz DANUTPOSNXJGLI-RKDXNWHRSA-N -2 3 364.387 0.072 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590165136 1283258818 /nfs/dbraw/zinc/25/88/18/1283258818.db2.gz JPZQGIAIZJVUQE-BXKDBHETSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590165136 1283258826 /nfs/dbraw/zinc/25/88/26/1283258826.db2.gz JPZQGIAIZJVUQE-BXKDBHETSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)O1 ZINC001590189892 1283294017 /nfs/dbraw/zinc/29/40/17/1283294017.db2.gz DFNFWMSIZNOTGO-LNLATYFQSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)O1 ZINC001590189892 1283294029 /nfs/dbraw/zinc/29/40/29/1283294029.db2.gz DFNFWMSIZNOTGO-LNLATYFQSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC001590190071 1283294951 /nfs/dbraw/zinc/29/49/51/1283294951.db2.gz FMRFVSAVROGXNZ-SBMIAAHKSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC001590190071 1283294957 /nfs/dbraw/zinc/29/49/57/1283294957.db2.gz FMRFVSAVROGXNZ-SBMIAAHKSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590225903 1283352858 /nfs/dbraw/zinc/35/28/58/1283352858.db2.gz GVCXBJCMJXYJGP-GXSJLCMTSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590225903 1283352871 /nfs/dbraw/zinc/35/28/71/1283352871.db2.gz GVCXBJCMJXYJGP-GXSJLCMTSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC001590276932 1283404589 /nfs/dbraw/zinc/40/45/89/1283404589.db2.gz RPIKWKPMFCKHMM-QPUJVOFHSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] ZINC001590276932 1283404595 /nfs/dbraw/zinc/40/45/95/1283404595.db2.gz RPIKWKPMFCKHMM-QPUJVOFHSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC001590276878 1283405587 /nfs/dbraw/zinc/40/55/87/1283405587.db2.gz RBUSXBOWNIJVJW-BXKDBHETSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] ZINC001590276878 1283405591 /nfs/dbraw/zinc/40/55/91/1283405591.db2.gz RBUSXBOWNIJVJW-BXKDBHETSA-N -2 3 351.388 0.598 20 0 FCADHL CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604417381 1287641933 /nfs/dbraw/zinc/64/19/33/1287641933.db2.gz MYSGWBZELWFUNH-NEPJUHHUSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604417381 1287641940 /nfs/dbraw/zinc/64/19/40/1287641940.db2.gz MYSGWBZELWFUNH-NEPJUHHUSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590327184 1283470039 /nfs/dbraw/zinc/47/00/39/1283470039.db2.gz ZQOKJHNGIHLKHM-GXFFZTMASA-N -2 3 365.415 0.485 20 0 FCADHL C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590327184 1283470043 /nfs/dbraw/zinc/47/00/43/1283470043.db2.gz ZQOKJHNGIHLKHM-GXFFZTMASA-N -2 3 365.415 0.485 20 0 FCADHL C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590327186 1283470059 /nfs/dbraw/zinc/47/00/59/1283470059.db2.gz ZQOKJHNGIHLKHM-ZWNOBZJWSA-N -2 3 365.415 0.485 20 0 FCADHL C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590327186 1283470064 /nfs/dbraw/zinc/47/00/64/1283470064.db2.gz ZQOKJHNGIHLKHM-ZWNOBZJWSA-N -2 3 365.415 0.485 20 0 FCADHL C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590335541 1283481684 /nfs/dbraw/zinc/48/16/84/1283481684.db2.gz HZOOIMPQMYLTOX-APPZFPTMSA-N -2 3 355.401 0.403 20 0 FCADHL C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590335541 1283481690 /nfs/dbraw/zinc/48/16/90/1283481690.db2.gz HZOOIMPQMYLTOX-APPZFPTMSA-N -2 3 355.401 0.403 20 0 FCADHL CC[C@](C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1)C(=O)[O-] ZINC001590383095 1283511309 /nfs/dbraw/zinc/51/13/09/1283511309.db2.gz ZHBQMIFFTMUENJ-CQSZACIVSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@](C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1)C(=O)[O-] ZINC001590383095 1283511314 /nfs/dbraw/zinc/51/13/14/1283511314.db2.gz ZHBQMIFFTMUENJ-CQSZACIVSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@@H](CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)C(=O)[O-] ZINC001590441635 1283540570 /nfs/dbraw/zinc/54/05/70/1283540570.db2.gz GZUBCYORQLPSTR-LBPRGKRZSA-N -2 3 373.417 0.809 20 0 FCADHL CC[C@@H](CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)C(=O)[O-] ZINC001590441635 1283540574 /nfs/dbraw/zinc/54/05/74/1283540574.db2.gz GZUBCYORQLPSTR-LBPRGKRZSA-N -2 3 373.417 0.809 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001590489433 1283562396 /nfs/dbraw/zinc/56/23/96/1283562396.db2.gz PKCRNLYMUHVKDN-AWEZNQCLSA-N -2 3 351.388 0.742 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001590489433 1283562403 /nfs/dbraw/zinc/56/24/03/1283562403.db2.gz PKCRNLYMUHVKDN-AWEZNQCLSA-N -2 3 351.388 0.742 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590676666 1283721763 /nfs/dbraw/zinc/72/17/63/1283721763.db2.gz JRZIOQVITCGKDV-SNVBAGLBSA-N -2 3 353.404 0.882 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590676666 1283721775 /nfs/dbraw/zinc/72/17/75/1283721775.db2.gz JRZIOQVITCGKDV-SNVBAGLBSA-N -2 3 353.404 0.882 20 0 FCADHL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590681010 1283727837 /nfs/dbraw/zinc/72/78/37/1283727837.db2.gz OVIHDPUWXKLUQH-JTQLQIEISA-N -2 3 353.404 0.739 20 0 FCADHL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590681010 1283727842 /nfs/dbraw/zinc/72/78/42/1283727842.db2.gz OVIHDPUWXKLUQH-JTQLQIEISA-N -2 3 353.404 0.739 20 0 FCADHL CCOC(=O)[C@@H]1CCCN(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590756742 1283815810 /nfs/dbraw/zinc/81/58/10/1283815810.db2.gz AGTFHZGRPXFIRJ-CYBMUJFWSA-N -2 3 374.401 0.552 20 0 FCADHL CCO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001590778770 1283835730 /nfs/dbraw/zinc/83/57/30/1283835730.db2.gz BORXUWGFBGEJQD-CYBMUJFWSA-N -2 3 367.431 0.874 20 0 FCADHL CCO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001590778770 1283835741 /nfs/dbraw/zinc/83/57/41/1283835741.db2.gz BORXUWGFBGEJQD-CYBMUJFWSA-N -2 3 367.431 0.874 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001590816356 1283897745 /nfs/dbraw/zinc/89/77/45/1283897745.db2.gz IZPOOBSJJQDXMD-UHFFFAOYSA-N -2 3 368.325 0.037 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001590816356 1283897751 /nfs/dbraw/zinc/89/77/51/1283897751.db2.gz IZPOOBSJJQDXMD-UHFFFAOYSA-N -2 3 368.325 0.037 20 0 FCADHL CCO[N-]C(=O)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001590819665 1283900606 /nfs/dbraw/zinc/90/06/06/1283900606.db2.gz XRAUEJOTFZTLDE-UHFFFAOYSA-N -2 3 355.152 0.635 20 0 FCADHL CCO[N-]C(=O)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001590819665 1283900614 /nfs/dbraw/zinc/90/06/14/1283900614.db2.gz XRAUEJOTFZTLDE-UHFFFAOYSA-N -2 3 355.152 0.635 20 0 FCADHL CCO[N-]C(=O)CNC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001590818662 1283901715 /nfs/dbraw/zinc/90/17/15/1283901715.db2.gz FPETVZGCBSDDMB-UHFFFAOYSA-N -2 3 369.179 0.427 20 0 FCADHL CCO[N-]C(=O)CNC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001590818662 1283901724 /nfs/dbraw/zinc/90/17/24/1283901724.db2.gz FPETVZGCBSDDMB-UHFFFAOYSA-N -2 3 369.179 0.427 20 0 FCADHL CCOc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001590841367 1283914307 /nfs/dbraw/zinc/91/43/07/1283914307.db2.gz MZURUBAJPOEILR-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CCOc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001590841367 1283914319 /nfs/dbraw/zinc/91/43/19/1283914319.db2.gz MZURUBAJPOEILR-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)cc(-c2nnn[n-]2)c1 ZINC001591027946 1284087552 /nfs/dbraw/zinc/08/75/52/1284087552.db2.gz YTHFKAXLRXBXSQ-UHFFFAOYSA-N -2 3 373.398 0.446 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)cc(-c2nn[n-]n2)c1 ZINC001591027946 1284087562 /nfs/dbraw/zinc/08/75/62/1284087562.db2.gz YTHFKAXLRXBXSQ-UHFFFAOYSA-N -2 3 373.398 0.446 20 0 FCADHL CN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001591063060 1284123208 /nfs/dbraw/zinc/12/32/08/1284123208.db2.gz UJJHLIUCBDGWDW-UHFFFAOYSA-N -2 3 366.765 0.069 20 0 FCADHL CN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001591063060 1284123214 /nfs/dbraw/zinc/12/32/14/1284123214.db2.gz UJJHLIUCBDGWDW-UHFFFAOYSA-N -2 3 366.765 0.069 20 0 FCADHL CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001591117594 1284194367 /nfs/dbraw/zinc/19/43/67/1284194367.db2.gz DKYXPCIXDATZFW-UHFFFAOYSA-N -2 3 360.403 0.484 20 0 FCADHL CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001591117594 1284194368 /nfs/dbraw/zinc/19/43/68/1284194368.db2.gz DKYXPCIXDATZFW-UHFFFAOYSA-N -2 3 360.403 0.484 20 0 FCADHL CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591147817 1284216052 /nfs/dbraw/zinc/21/60/52/1284216052.db2.gz HRWFJGNPQHKJDY-UHFFFAOYSA-N -2 3 372.410 0.973 20 0 FCADHL CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591147817 1284216061 /nfs/dbraw/zinc/21/60/61/1284216061.db2.gz HRWFJGNPQHKJDY-UHFFFAOYSA-N -2 3 372.410 0.973 20 0 FCADHL COC(=O)CC1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC001591260622 1284417266 /nfs/dbraw/zinc/41/72/66/1284417266.db2.gz DQZVCBFUPGXPFR-UHFFFAOYSA-N -2 3 373.341 0.519 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccn2)cn1 ZINC001591298360 1284450185 /nfs/dbraw/zinc/45/01/85/1284450185.db2.gz MOCRUFDDFGWZIZ-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccn2)cn1 ZINC001591298360 1284450191 /nfs/dbraw/zinc/45/01/91/1284450191.db2.gz MOCRUFDDFGWZIZ-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001591306234 1284457159 /nfs/dbraw/zinc/45/71/59/1284457159.db2.gz MRBFQYQOMSFARB-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC[C@H](C)S(=O)(=O)N(CC(=O)[O-])Cc1cccc(-c2nn[n-]n2)c1 ZINC001591376270 1284512060 /nfs/dbraw/zinc/51/20/60/1284512060.db2.gz RPCSGKDPIGGRJR-JTQLQIEISA-N -2 3 369.403 0.118 20 0 FCADHL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001591421159 1284571184 /nfs/dbraw/zinc/57/11/84/1284571184.db2.gz SATJEVNJZUZGRK-QMMMGPOBSA-N -2 3 373.366 0.116 20 0 FCADHL COCCO[N-]C(=O)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001591439066 1284594949 /nfs/dbraw/zinc/59/49/49/1284594949.db2.gz BONJHQXGXRLRAM-ZDUSSCGKSA-N -2 3 360.374 0.055 20 0 FCADHL COCCO[N-]C(=O)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001591439066 1284594955 /nfs/dbraw/zinc/59/49/55/1284594955.db2.gz BONJHQXGXRLRAM-ZDUSSCGKSA-N -2 3 360.374 0.055 20 0 FCADHL CO[N-]C(=O)CNC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591467844 1284640478 /nfs/dbraw/zinc/64/04/78/1284640478.db2.gz XSJHWOMPYGILNA-SNVBAGLBSA-N -2 3 373.295 0.447 20 0 FCADHL CO[N-]C(=O)CNC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591467844 1284640490 /nfs/dbraw/zinc/64/04/90/1284640490.db2.gz XSJHWOMPYGILNA-SNVBAGLBSA-N -2 3 373.295 0.447 20 0 FCADHL CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001591475288 1284651112 /nfs/dbraw/zinc/65/11/12/1284651112.db2.gz XSFKJWIOHQFODG-XWEPSHTISA-N -2 3 359.358 0.848 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001591504864 1284688117 /nfs/dbraw/zinc/68/81/17/1284688117.db2.gz ZAKRPUVIFZTMNY-KYZUINATSA-N -2 3 353.360 0.017 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001591504864 1284688125 /nfs/dbraw/zinc/68/81/25/1284688125.db2.gz ZAKRPUVIFZTMNY-KYZUINATSA-N -2 3 353.360 0.017 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001591507570 1284691148 /nfs/dbraw/zinc/69/11/48/1284691148.db2.gz WHYLAHFRJUIIMR-JTQLQIEISA-N -2 3 367.387 0.503 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001591507570 1284691160 /nfs/dbraw/zinc/69/11/60/1284691160.db2.gz WHYLAHFRJUIIMR-JTQLQIEISA-N -2 3 367.387 0.503 20 0 FCADHL COc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2OC)nc1 ZINC001591658128 1284785316 /nfs/dbraw/zinc/78/53/16/1284785316.db2.gz PORBHXBKZYAMQD-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL COc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2OC)nc1 ZINC001591658128 1284785323 /nfs/dbraw/zinc/78/53/23/1284785323.db2.gz PORBHXBKZYAMQD-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591670620 1284801314 /nfs/dbraw/zinc/80/13/14/1284801314.db2.gz ZBLXHQRAYLECCJ-UHFFFAOYSA-N -2 3 353.339 0.549 20 0 FCADHL COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591670620 1284801333 /nfs/dbraw/zinc/80/13/33/1284801333.db2.gz ZBLXHQRAYLECCJ-UHFFFAOYSA-N -2 3 353.339 0.549 20 0 FCADHL C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001591683575 1284827781 /nfs/dbraw/zinc/82/77/81/1284827781.db2.gz GPIVHAAEPYPCFS-QHCPKHFHSA-N -2 3 364.412 0.800 20 0 FCADHL C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001591683575 1284827789 /nfs/dbraw/zinc/82/77/89/1284827789.db2.gz GPIVHAAEPYPCFS-QHCPKHFHSA-N -2 3 364.412 0.800 20 0 FCADHL CSC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001591689480 1284831993 /nfs/dbraw/zinc/83/19/93/1284831993.db2.gz GSPMBAKWYQKBBY-UHFFFAOYSA-N -2 3 353.429 0.957 20 0 FCADHL CSC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001591689480 1284832005 /nfs/dbraw/zinc/83/20/05/1284832005.db2.gz GSPMBAKWYQKBBY-UHFFFAOYSA-N -2 3 353.429 0.957 20 0 FCADHL C[C@@H]1CCN(c2nnccc2-c2nnn[n-]2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001591735024 1284860980 /nfs/dbraw/zinc/86/09/80/1284860980.db2.gz LKILVSSCNYSZLP-APPZFPTMSA-N -2 3 356.312 0.550 20 0 FCADHL C[C@@H]1CCN(c2nnccc2-c2nn[n-]n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001591735024 1284860991 /nfs/dbraw/zinc/86/09/91/1284860991.db2.gz LKILVSSCNYSZLP-APPZFPTMSA-N -2 3 356.312 0.550 20 0 FCADHL C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001591735501 1284865017 /nfs/dbraw/zinc/86/50/17/1284865017.db2.gz ZEQDRAIJHMHAGI-SFYZADRCSA-N -2 3 372.307 0.989 20 0 FCADHL C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001591735501 1284865023 /nfs/dbraw/zinc/86/50/23/1284865023.db2.gz ZEQDRAIJHMHAGI-SFYZADRCSA-N -2 3 372.307 0.989 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001591752420 1284877862 /nfs/dbraw/zinc/87/78/62/1284877862.db2.gz HQZUTLLMMDWBLQ-NXEZZACHSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001591752420 1284877869 /nfs/dbraw/zinc/87/78/69/1284877869.db2.gz HQZUTLLMMDWBLQ-NXEZZACHSA-N -2 3 351.388 0.741 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC001591870814 1284958928 /nfs/dbraw/zinc/95/89/28/1284958928.db2.gz SYPCQCMOXXXICO-WPRPVWTQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC001591870814 1284958936 /nfs/dbraw/zinc/95/89/36/1284958936.db2.gz SYPCQCMOXXXICO-WPRPVWTQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC001591875792 1284965292 /nfs/dbraw/zinc/96/52/92/1284965292.db2.gz NCVLZBNJGPPDEM-JTQLQIEISA-N -2 3 366.403 0.197 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC001591875792 1284965296 /nfs/dbraw/zinc/96/52/96/1284965296.db2.gz NCVLZBNJGPPDEM-JTQLQIEISA-N -2 3 366.403 0.197 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC001591875793 1284965614 /nfs/dbraw/zinc/96/56/14/1284965614.db2.gz NCVLZBNJGPPDEM-SNVBAGLBSA-N -2 3 366.403 0.197 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC001591875793 1284965625 /nfs/dbraw/zinc/96/56/25/1284965625.db2.gz NCVLZBNJGPPDEM-SNVBAGLBSA-N -2 3 366.403 0.197 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592066552 1285107316 /nfs/dbraw/zinc/10/73/16/1285107316.db2.gz ZFWSHEMFFUMRGE-JTQLQIEISA-N -2 3 367.387 0.039 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592066552 1285107321 /nfs/dbraw/zinc/10/73/21/1285107321.db2.gz ZFWSHEMFFUMRGE-JTQLQIEISA-N -2 3 367.387 0.039 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592066138 1285108119 /nfs/dbraw/zinc/10/81/19/1285108119.db2.gz SCXVDCWSOAJVJZ-CQSZACIVSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592066138 1285108124 /nfs/dbraw/zinc/10/81/24/1285108124.db2.gz SCXVDCWSOAJVJZ-CQSZACIVSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC001592109630 1285142701 /nfs/dbraw/zinc/14/27/01/1285142701.db2.gz UTHVHCJIMFJSDX-SKDRFNHKSA-N -2 3 367.387 0.038 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC001592108976 1285143009 /nfs/dbraw/zinc/14/30/09/1285143009.db2.gz LWSRNINFARQFQL-JTQLQIEISA-N -2 3 369.403 0.021 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC001592108976 1285143015 /nfs/dbraw/zinc/14/30/15/1285143015.db2.gz LWSRNINFARQFQL-JTQLQIEISA-N -2 3 369.403 0.021 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c(=O)[nH]1 ZINC001592128129 1285157430 /nfs/dbraw/zinc/15/74/30/1285157430.db2.gz MGTVBHBMZWOWNM-UHFFFAOYSA-N -2 3 360.355 0.394 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c(=O)[nH]1 ZINC001592128129 1285157435 /nfs/dbraw/zinc/15/74/35/1285157435.db2.gz MGTVBHBMZWOWNM-UHFFFAOYSA-N -2 3 360.355 0.394 20 0 FCADHL Cc1ccc(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592189331 1285173184 /nfs/dbraw/zinc/17/31/84/1285173184.db2.gz ALEDESFOUIRIHM-WCBMZHEXSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1ccc(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592189331 1285173188 /nfs/dbraw/zinc/17/31/88/1285173188.db2.gz ALEDESFOUIRIHM-WCBMZHEXSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC001592213346 1285181397 /nfs/dbraw/zinc/18/13/97/1285181397.db2.gz PLGWAFRVNGAULP-ONGXEEELSA-N -2 3 351.388 0.801 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC001592213346 1285181405 /nfs/dbraw/zinc/18/14/05/1285181405.db2.gz PLGWAFRVNGAULP-ONGXEEELSA-N -2 3 351.388 0.801 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1-c1nnn[n-]1 ZINC001592239430 1285196834 /nfs/dbraw/zinc/19/68/34/1285196834.db2.gz NPNQSEKGFGYGLD-ZJUUUORDSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1-c1nn[n-]n1 ZINC001592239430 1285196838 /nfs/dbraw/zinc/19/68/38/1285196838.db2.gz NPNQSEKGFGYGLD-ZJUUUORDSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1-c1nnn[n-]1 ZINC001592377199 1285289035 /nfs/dbraw/zinc/28/90/35/1285289035.db2.gz LYKFXLRFVZFCSY-PSASIEDQSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1-c1nn[n-]n1 ZINC001592377199 1285289040 /nfs/dbraw/zinc/28/90/40/1285289040.db2.gz LYKFXLRFVZFCSY-PSASIEDQSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001592377379 1285289695 /nfs/dbraw/zinc/28/96/95/1285289695.db2.gz NTKGHXSDEYLHLT-GZMMTYOYSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592377379 1285289702 /nfs/dbraw/zinc/28/97/02/1285289702.db2.gz NTKGHXSDEYLHLT-GZMMTYOYSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](CC2CCC2)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592413565 1285331881 /nfs/dbraw/zinc/33/18/81/1285331881.db2.gz LVHPDIYAXKIQND-GFCCVEGCSA-N -2 3 366.403 0.492 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](CC2CCC2)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592413565 1285331891 /nfs/dbraw/zinc/33/18/91/1285331891.db2.gz LVHPDIYAXKIQND-GFCCVEGCSA-N -2 3 366.403 0.492 20 0 FCADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C2CC2)n1 ZINC001592565946 1285478916 /nfs/dbraw/zinc/47/89/16/1285478916.db2.gz PTWZTKLNUVWTCJ-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C2CC2)n1 ZINC001592565946 1285478918 /nfs/dbraw/zinc/47/89/18/1285478918.db2.gz PTWZTKLNUVWTCJ-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL CCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2OC)nn1C ZINC001609251251 1289020808 /nfs/dbraw/zinc/02/08/08/1289020808.db2.gz DFYXFBPVAOEAQO-UHFFFAOYSA-N -2 3 363.403 0.972 20 0 FCADHL CCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2OC)nn1C ZINC001609251251 1289020817 /nfs/dbraw/zinc/02/08/17/1289020817.db2.gz DFYXFBPVAOEAQO-UHFFFAOYSA-N -2 3 363.403 0.972 20 0 FCADHL O=C(COCC1CC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592887307 1285793370 /nfs/dbraw/zinc/79/33/70/1285793370.db2.gz XRLRFETXWBBMGT-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL O=C(COCC1CC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592887307 1285793381 /nfs/dbraw/zinc/79/33/81/1285793381.db2.gz XRLRFETXWBBMGT-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL O=C(COc1ccccc1-c1nnn[n-]1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592896386 1285800068 /nfs/dbraw/zinc/80/00/68/1285800068.db2.gz PZMNPWRXGPBSHK-JTQLQIEISA-N -2 3 370.373 0.475 20 0 FCADHL O=C(COc1ccccc1-c1nn[n-]n1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592896386 1285800076 /nfs/dbraw/zinc/80/00/76/1285800076.db2.gz PZMNPWRXGPBSHK-JTQLQIEISA-N -2 3 370.373 0.475 20 0 FCADHL O=C([O-])[C@@H](CNC(=O)C(=O)Nc1sccc1-c1nnn[n-]1)C1CCC1 ZINC001593005477 1285889913 /nfs/dbraw/zinc/88/99/13/1285889913.db2.gz XCTFICXCULKNSW-VIFPVBQESA-N -2 3 364.387 0.484 20 0 FCADHL O=C([O-])[C@@H](CNC(=O)C(=O)Nc1sccc1-c1nn[n-]n1)C1CCC1 ZINC001593005477 1285889918 /nfs/dbraw/zinc/88/99/18/1285889918.db2.gz XCTFICXCULKNSW-VIFPVBQESA-N -2 3 364.387 0.484 20 0 FCADHL O=C([N-]O[C@@H]1CCCCO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593167542 1286025643 /nfs/dbraw/zinc/02/56/43/1286025643.db2.gz TZSHVMVMFKRIRW-LLVKDONJSA-N -2 3 350.310 0.519 20 0 FCADHL O=C([N-]O[C@@H]1CCCCO1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001593167542 1286025647 /nfs/dbraw/zinc/02/56/47/1286025647.db2.gz TZSHVMVMFKRIRW-LLVKDONJSA-N -2 3 350.310 0.519 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C1(C(F)(F)F)CC1 ZINC001593172834 1286026607 /nfs/dbraw/zinc/02/66/07/1286026607.db2.gz QHNWROSEJKVMDX-UHFFFAOYSA-N -2 3 362.293 0.409 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C1(C(F)(F)F)CC1 ZINC001593172834 1286026612 /nfs/dbraw/zinc/02/66/12/1286026612.db2.gz QHNWROSEJKVMDX-UHFFFAOYSA-N -2 3 362.293 0.409 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001593274572 1286058094 /nfs/dbraw/zinc/05/80/94/1286058094.db2.gz NZDYOAFDMPFTQL-HTQZYQBOSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001593274572 1286058098 /nfs/dbraw/zinc/05/80/98/1286058098.db2.gz NZDYOAFDMPFTQL-HTQZYQBOSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001593274573 1286058631 /nfs/dbraw/zinc/05/86/31/1286058631.db2.gz NZDYOAFDMPFTQL-JGVFFNPUSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001593274573 1286058634 /nfs/dbraw/zinc/05/86/34/1286058634.db2.gz NZDYOAFDMPFTQL-JGVFFNPUSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C2 ZINC001593274839 1286058743 /nfs/dbraw/zinc/05/87/43/1286058743.db2.gz QTPDQDDRUSHPDK-FUXBKTLASA-N -2 3 353.335 0.101 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001593276384 1286058972 /nfs/dbraw/zinc/05/89/72/1286058972.db2.gz MINXYTRPWVMJEX-UHFFFAOYSA-N -2 3 351.388 0.541 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001593276384 1286058975 /nfs/dbraw/zinc/05/89/75/1286058975.db2.gz MINXYTRPWVMJEX-UHFFFAOYSA-N -2 3 351.388 0.541 20 0 FCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCC1 ZINC001593276059 1286059127 /nfs/dbraw/zinc/05/91/27/1286059127.db2.gz JOQOLYOIBKSHEL-SNVBAGLBSA-N -3 3 373.341 0.677 20 0 FCADHL O=C([O-])[C@@H](C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1)C1CC1 ZINC001593276090 1286059600 /nfs/dbraw/zinc/05/96/00/1286059600.db2.gz KUYUGUXDIRDUHE-LLVKDONJSA-N -2 3 362.415 0.688 20 0 FCADHL O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC001593275900 1286059627 /nfs/dbraw/zinc/05/96/27/1286059627.db2.gz YFRSYVLJETZALH-FUXBKTLASA-N -2 3 353.335 0.101 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC12CCCC2 ZINC001593276744 1286059946 /nfs/dbraw/zinc/05/99/46/1286059946.db2.gz PIAGWAJEAFJLAA-GFCCVEGCSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC12CCCC2 ZINC001593276744 1286059951 /nfs/dbraw/zinc/05/99/51/1286059951.db2.gz PIAGWAJEAFJLAA-GFCCVEGCSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])CCCNC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593278051 1286060742 /nfs/dbraw/zinc/06/07/42/1286060742.db2.gz OFZOSMMKNBUVKJ-UHFFFAOYSA-N -2 3 366.765 0.117 20 0 FCADHL O=C([O-])CCCNC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001593278051 1286060744 /nfs/dbraw/zinc/06/07/44/1286060744.db2.gz OFZOSMMKNBUVKJ-UHFFFAOYSA-N -2 3 366.765 0.117 20 0 FCADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593277038 1286060779 /nfs/dbraw/zinc/06/07/79/1286060779.db2.gz XRKIMQAXMVBFCZ-GXSJLCMTSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593277038 1286060782 /nfs/dbraw/zinc/06/07/82/1286060782.db2.gz XRKIMQAXMVBFCZ-GXSJLCMTSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])CCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001593278604 1286061971 /nfs/dbraw/zinc/06/19/71/1286061971.db2.gz ORHQZJYFKDHBLS-UHFFFAOYSA-N -2 3 360.374 0.894 20 0 FCADHL O=C([O-])CCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001593278604 1286061974 /nfs/dbraw/zinc/06/19/74/1286061974.db2.gz ORHQZJYFKDHBLS-UHFFFAOYSA-N -2 3 360.374 0.894 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593279592 1286063449 /nfs/dbraw/zinc/06/34/49/1286063449.db2.gz SGYNUCGWGCABCG-KOLCDFICSA-N -2 3 351.388 0.788 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593279592 1286063451 /nfs/dbraw/zinc/06/34/51/1286063451.db2.gz SGYNUCGWGCABCG-KOLCDFICSA-N -2 3 351.388 0.788 20 0 FCADHL O=C(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001593342071 1286087006 /nfs/dbraw/zinc/08/70/06/1286087006.db2.gz XKAVTLAGHRNFPN-UHFFFAOYSA-N -2 3 358.337 0.849 20 0 FCADHL O=C(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001593342071 1286087012 /nfs/dbraw/zinc/08/70/12/1286087012.db2.gz XKAVTLAGHRNFPN-UHFFFAOYSA-N -2 3 358.337 0.849 20 0 FCADHL O=C1CCc2cc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccn3)ccc2N1 ZINC001593396754 1286117630 /nfs/dbraw/zinc/11/76/30/1286117630.db2.gz AOSIDBYVTAHVOU-UHFFFAOYSA-N -2 3 371.382 0.947 20 0 FCADHL O=S(=O)([N-]C[C@H]1CC[C@H](O)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593436884 1286158253 /nfs/dbraw/zinc/15/82/53/1286158253.db2.gz CQVLWQNJOQDVDC-CBAPKCEASA-N -2 3 359.358 0.584 20 0 FCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001609289242 1289056858 /nfs/dbraw/zinc/05/68/58/1289056858.db2.gz VFDQGNRVXDZRHI-UHFFFAOYSA-N -2 3 359.371 0.422 20 0 FCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001609289242 1289056864 /nfs/dbraw/zinc/05/68/64/1289056864.db2.gz VFDQGNRVXDZRHI-UHFFFAOYSA-N -2 3 359.371 0.422 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C2)n1 ZINC001600064831 1286435196 /nfs/dbraw/zinc/43/51/96/1286435196.db2.gz GSXVUUMRRFCJGV-KOLCDFICSA-N -2 3 358.420 0.100 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ncccc2-c2nnn[n-]2)cs1 ZINC001609302770 1289076481 /nfs/dbraw/zinc/07/64/81/1289076481.db2.gz HBZSHJRPRZCKMW-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)cs1 ZINC001609302770 1289076486 /nfs/dbraw/zinc/07/64/86/1289076486.db2.gz HBZSHJRPRZCKMW-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL CO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001609306841 1289079166 /nfs/dbraw/zinc/07/91/66/1289079166.db2.gz DIOISFHTQWVPBK-LBPRGKRZSA-N -2 3 351.388 0.238 20 0 FCADHL CO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001609306841 1289079171 /nfs/dbraw/zinc/07/91/71/1289079171.db2.gz DIOISFHTQWVPBK-LBPRGKRZSA-N -2 3 351.388 0.238 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CO)Cc2ccc(F)cc2)c1C(=O)[O-] ZINC001600672245 1286522178 /nfs/dbraw/zinc/52/21/78/1286522178.db2.gz AXDIKWBGKFSJGR-NSHDSACASA-N -2 3 357.363 0.437 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2COc3c(F)cc(F)cc3C2)c1C(=O)[O-] ZINC001600672743 1286523856 /nfs/dbraw/zinc/52/38/56/1286523856.db2.gz ISDSGZOGJLRIDH-SECBINFHSA-N -2 3 373.337 0.977 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1C(=O)[O-] ZINC001600673514 1286525008 /nfs/dbraw/zinc/52/50/08/1286525008.db2.gz HKWAWABIXHDTNZ-XEMYVYNMSA-N -2 3 373.431 0.667 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001600809748 1286549808 /nfs/dbraw/zinc/54/98/08/1286549808.db2.gz JJGDZYVPMSARSF-LDYMZIIASA-N -2 3 359.404 0.139 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CCC2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC001600857964 1286559219 /nfs/dbraw/zinc/55/92/19/1286559219.db2.gz PBAJOVKSFYUBNH-UHFFFAOYSA-N -2 3 365.429 0.779 20 0 FCADHL Cn1cc(C[C@@H]2CCC[C@H]2[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cn1 ZINC001600949565 1286578510 /nfs/dbraw/zinc/57/85/10/1286578510.db2.gz UQWKNDNWRQPJCC-CMPLNLGQSA-N -2 3 353.404 0.531 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c(Br)n1 ZINC001600968867 1286584849 /nfs/dbraw/zinc/58/48/49/1286584849.db2.gz HFINGBOAAVNWJZ-MRVPVSSYSA-N -2 3 366.237 0.962 20 0 FCADHL COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)n1 ZINC001609317404 1289088974 /nfs/dbraw/zinc/08/89/74/1289088974.db2.gz LFNFUBXIWSSNOI-VIFPVBQESA-N -2 3 364.391 0.466 20 0 FCADHL COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)n1 ZINC001609317404 1289088980 /nfs/dbraw/zinc/08/89/80/1289088980.db2.gz LFNFUBXIWSSNOI-VIFPVBQESA-N -2 3 364.391 0.466 20 0 FCADHL O=C([O-])[C@@H](CCC1OCCO1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001601645474 1286799512 /nfs/dbraw/zinc/79/95/12/1286799512.db2.gz RRCZYOSILIVMIN-SNVBAGLBSA-N -2 3 351.327 0.849 20 0 FCADHL O=C([O-])[C@H]1CCN1C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC001601834482 1286846539 /nfs/dbraw/zinc/84/65/39/1286846539.db2.gz NXWUGOGIJFSKTF-SECBINFHSA-N -2 3 360.338 0.705 20 0 FCADHL O=C([O-])CC1(NC(=O)c2cc3c(cc2[O-])OCO3)CCS(=O)(=O)CC1 ZINC001601929790 1286875312 /nfs/dbraw/zinc/87/53/12/1286875312.db2.gz NIBHAIFYVNBWRV-UHFFFAOYSA-N -2 3 371.367 0.273 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001609339264 1289108242 /nfs/dbraw/zinc/10/82/42/1289108242.db2.gz LKTOWLGROAJQPU-NXEZZACHSA-N -2 3 365.371 0.183 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001609339264 1289108249 /nfs/dbraw/zinc/10/82/49/1289108249.db2.gz LKTOWLGROAJQPU-NXEZZACHSA-N -2 3 365.371 0.183 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC001609338532 1289108390 /nfs/dbraw/zinc/10/83/90/1289108390.db2.gz GKDWFKWORKPOKI-UHFFFAOYSA-N -2 3 353.360 0.113 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC001609338532 1289108391 /nfs/dbraw/zinc/10/83/91/1289108391.db2.gz GKDWFKWORKPOKI-UHFFFAOYSA-N -2 3 353.360 0.113 20 0 FCADHL O=C([O-])CNC(=O)Cc1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC001602072761 1286926207 /nfs/dbraw/zinc/92/62/07/1286926207.db2.gz JZUARQYQQIZFGG-UHFFFAOYSA-N -2 3 358.354 0.852 20 0 FCADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC001602148912 1286948498 /nfs/dbraw/zinc/94/84/98/1286948498.db2.gz APSJDKPTDKIXHE-UHFFFAOYSA-N -3 3 360.369 0.582 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c(C)c1 ZINC001609352039 1289116146 /nfs/dbraw/zinc/11/61/46/1289116146.db2.gz YVLIKOMRZUEIDY-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c(C)c1 ZINC001609352039 1289116150 /nfs/dbraw/zinc/11/61/50/1289116150.db2.gz YVLIKOMRZUEIDY-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1cccc(N2CCOCC2)n1 ZINC001602487933 1287010277 /nfs/dbraw/zinc/01/02/77/1287010277.db2.gz IYSVRCNTFQKUGG-UHFFFAOYSA-N -2 3 367.383 0.688 20 0 FCADHL O=C([O-])c1ccnc(S(=O)(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001602487014 1287010318 /nfs/dbraw/zinc/01/03/18/1287010318.db2.gz XVYVCPGOONNORS-UHFFFAOYSA-N -2 3 350.356 0.631 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC001602488117 1287011285 /nfs/dbraw/zinc/01/12/85/1287011285.db2.gz CMSGLCJGDVSSPV-STQMWFEESA-N -2 3 358.416 0.900 20 0 FCADHL O=C([O-])c1cn(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])nn1 ZINC001602503617 1287016254 /nfs/dbraw/zinc/01/62/54/1287016254.db2.gz NQMUDHFPWMHBTM-ZDUSSCGKSA-N -2 3 373.369 0.103 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC001602506710 1287019354 /nfs/dbraw/zinc/01/93/54/1287019354.db2.gz MXKPPDITFPDCKE-VIFPVBQESA-N -2 3 372.353 0.943 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCc2ccccc2NC1=O ZINC001602506799 1287019428 /nfs/dbraw/zinc/01/94/28/1287019428.db2.gz SAKFOJPITVNZGB-NSHDSACASA-N -2 3 350.356 0.340 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](C2CC2)C2(CO)CCOCC2)c1 ZINC001602557059 1287025696 /nfs/dbraw/zinc/02/56/96/1287025696.db2.gz PBQGHWGJCFCZRU-CYBMUJFWSA-N -2 3 359.400 0.824 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O ZINC001602583760 1287030775 /nfs/dbraw/zinc/03/07/75/1287030775.db2.gz XEQAQPFJQPLVMV-JTQLQIEISA-N -2 3 367.408 0.925 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC001602583108 1287031033 /nfs/dbraw/zinc/03/10/33/1287031033.db2.gz OCYFOYUWUOGQDP-UHFFFAOYSA-N -2 3 358.279 0.722 20 0 FCADHL COC(=O)c1ncsc1S(=O)(=O)[N-]c1ccccc1-c1nnn[n-]1 ZINC001604990787 1287829501 /nfs/dbraw/zinc/82/95/01/1287829501.db2.gz PAGZDKDFKUSZGN-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COC(=O)c1ncsc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC001604990787 1287829506 /nfs/dbraw/zinc/82/95/06/1287829506.db2.gz PAGZDKDFKUSZGN-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001604995685 1287831279 /nfs/dbraw/zinc/83/12/79/1287831279.db2.gz MDRFQZAXBAQSRV-UHFFFAOYSA-N -2 3 357.367 0.377 20 0 FCADHL COC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001604995685 1287831286 /nfs/dbraw/zinc/83/12/86/1287831286.db2.gz MDRFQZAXBAQSRV-UHFFFAOYSA-N -2 3 357.367 0.377 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)n(C)n1 ZINC001609395544 1289135682 /nfs/dbraw/zinc/13/56/82/1289135682.db2.gz QUUGATVBCBLFTA-UHFFFAOYSA-N -2 3 361.387 0.168 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)n(C)n1 ZINC001609395544 1289135686 /nfs/dbraw/zinc/13/56/86/1289135686.db2.gz QUUGATVBCBLFTA-UHFFFAOYSA-N -2 3 361.387 0.168 20 0 FCADHL COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001605047915 1287855669 /nfs/dbraw/zinc/85/56/69/1287855669.db2.gz GXCZWOGZOCVQGP-GHMZBOCLSA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001605047915 1287855676 /nfs/dbraw/zinc/85/56/76/1287855676.db2.gz GXCZWOGZOCVQGP-GHMZBOCLSA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001605052317 1287856675 /nfs/dbraw/zinc/85/66/75/1287856675.db2.gz XWWHJGWPESKBON-VIFPVBQESA-N -2 3 371.394 0.624 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001605052317 1287856676 /nfs/dbraw/zinc/85/66/76/1287856676.db2.gz XWWHJGWPESKBON-VIFPVBQESA-N -2 3 371.394 0.624 20 0 FCADHL CC[C@](COC)([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)[O-] ZINC001605056580 1287859791 /nfs/dbraw/zinc/85/97/91/1287859791.db2.gz LYWDPKFSRUZWDR-SNVBAGLBSA-N -2 3 370.225 0.341 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)CC1 ZINC001605067375 1287864071 /nfs/dbraw/zinc/86/40/71/1287864071.db2.gz AHHDSDQEWIHOJR-UHFFFAOYSA-N -2 3 367.387 0.114 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)c(OC)c2)CC1 ZINC001605067375 1287864075 /nfs/dbraw/zinc/86/40/75/1287864075.db2.gz AHHDSDQEWIHOJR-UHFFFAOYSA-N -2 3 367.387 0.114 20 0 FCADHL COCCCOCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001605091390 1287877774 /nfs/dbraw/zinc/87/77/74/1287877774.db2.gz AFIOXVDPVCVXMM-UHFFFAOYSA-N -2 3 369.403 0.115 20 0 FCADHL COCCCOCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001605091390 1287877779 /nfs/dbraw/zinc/87/77/79/1287877779.db2.gz AFIOXVDPVCVXMM-UHFFFAOYSA-N -2 3 369.403 0.115 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc(-c2nnn[n-]2)c1 ZINC001609405717 1289139007 /nfs/dbraw/zinc/13/90/07/1289139007.db2.gz VZBTUUDSRYXLIX-ZYHUDNBSSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc(-c2nn[n-]n2)c1 ZINC001609405717 1289139010 /nfs/dbraw/zinc/13/90/10/1289139010.db2.gz VZBTUUDSRYXLIX-ZYHUDNBSSA-N -2 3 372.385 0.683 20 0 FCADHL CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605508497 1287986592 /nfs/dbraw/zinc/98/65/92/1287986592.db2.gz KNAGFXPYNVYKAJ-GRYCIOLGSA-N -2 3 363.432 0.660 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ncc(-c3nnn[n-]3)cc2C)cc1 ZINC001609427861 1289146866 /nfs/dbraw/zinc/14/68/66/1289146866.db2.gz NMGCDDROPISZHE-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ncc(-c3nn[n-]n3)cc2C)cc1 ZINC001609427861 1289146871 /nfs/dbraw/zinc/14/68/71/1289146871.db2.gz NMGCDDROPISZHE-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2 ZINC001605801950 1288089479 /nfs/dbraw/zinc/08/94/79/1288089479.db2.gz NUDGVARRRSBXMX-UHFFFAOYSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)o1 ZINC001605844198 1288097748 /nfs/dbraw/zinc/09/77/48/1288097748.db2.gz VBSIESFQKOSCKB-UHFFFAOYSA-N -2 3 362.371 0.601 20 0 FCADHL Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)o1 ZINC001605844198 1288097756 /nfs/dbraw/zinc/09/77/56/1288097756.db2.gz VBSIESFQKOSCKB-UHFFFAOYSA-N -2 3 362.371 0.601 20 0 FCADHL CN(C)Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)no1 ZINC001606037331 1288140797 /nfs/dbraw/zinc/14/07/97/1288140797.db2.gz QDIQRUYVPFBUKP-UHFFFAOYSA-N -2 3 358.376 0.636 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]Cc2nc(-c3nnn[n-]3)cs2)sc1C ZINC001606079174 1288156553 /nfs/dbraw/zinc/15/65/53/1288156553.db2.gz ZQFMBXUYCZESCL-UHFFFAOYSA-N -2 3 357.446 0.875 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])cc1-c1nnn[n-]1 ZINC001609456673 1289160759 /nfs/dbraw/zinc/16/07/59/1289160759.db2.gz YSIPRKTUXXJWFR-MRVPVSSYSA-N -2 3 354.392 0.492 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])cc1-c1nn[n-]n1 ZINC001609456673 1289160760 /nfs/dbraw/zinc/16/07/60/1289160760.db2.gz YSIPRKTUXXJWFR-MRVPVSSYSA-N -2 3 354.392 0.492 20 0 FCADHL CNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606261681 1288240912 /nfs/dbraw/zinc/24/09/12/1288240912.db2.gz VVXMKIIZCJZFGJ-GFCCVEGCSA-N -2 3 352.368 0.613 20 0 FCADHL Cn1nncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001606286054 1288255985 /nfs/dbraw/zinc/25/59/85/1288255985.db2.gz GMUPSOMEPZIQEZ-UHFFFAOYSA-N -2 3 374.308 0.815 20 0 FCADHL Cn1nncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001606286054 1288255990 /nfs/dbraw/zinc/25/59/90/1288255990.db2.gz GMUPSOMEPZIQEZ-UHFFFAOYSA-N -2 3 374.308 0.815 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])ccc1F ZINC001606303673 1288259571 /nfs/dbraw/zinc/25/95/71/1288259571.db2.gz RHFSANAVQYJEPW-NSHDSACASA-N -2 3 358.391 0.965 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001609478784 1289172156 /nfs/dbraw/zinc/17/21/56/1289172156.db2.gz SJLFEURQPLQOAQ-WAYWQWQTSA-N -2 3 359.371 0.119 20 0 FCADHL COC(=O)C1(S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])c2ccccn2)CCC1 ZINC001606356217 1288272084 /nfs/dbraw/zinc/27/20/84/1288272084.db2.gz BDMOZGNXXNGXSJ-AWEZNQCLSA-N -2 3 356.400 0.787 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001609478784 1289172158 /nfs/dbraw/zinc/17/21/58/1289172158.db2.gz SJLFEURQPLQOAQ-WAYWQWQTSA-N -2 3 359.371 0.119 20 0 FCADHL COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1nnc2ccccc2c1[O-] ZINC001606384990 1288280989 /nfs/dbraw/zinc/28/09/89/1288280989.db2.gz HIQRSUPXUMMLLK-SKDRFNHKSA-N -2 3 359.338 0.814 20 0 FCADHL COC(=O)CC1([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CCOCC1 ZINC001606446874 1288322989 /nfs/dbraw/zinc/32/29/89/1288322989.db2.gz PETLGPTTWIFEIQ-UHFFFAOYSA-N -2 3 361.372 0.677 20 0 FCADHL COC(=O)N1CCC(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001606490006 1288342319 /nfs/dbraw/zinc/34/23/19/1288342319.db2.gz JNTCTMVFDHJEMD-UHFFFAOYSA-N -2 3 363.417 0.598 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001606587909 1288397612 /nfs/dbraw/zinc/39/76/12/1288397612.db2.gz FKFKUNRJEOFMOJ-UHFFFAOYSA-N -2 3 350.339 0.238 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001606587909 1288397618 /nfs/dbraw/zinc/39/76/18/1288397618.db2.gz FKFKUNRJEOFMOJ-UHFFFAOYSA-N -2 3 350.339 0.238 20 0 FCADHL O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001606637765 1288420036 /nfs/dbraw/zinc/42/00/36/1288420036.db2.gz DZZKCLHGPDZXNI-GFCCVEGCSA-N -2 3 365.357 0.732 20 0 FCADHL O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001606637765 1288420038 /nfs/dbraw/zinc/42/00/38/1288420038.db2.gz DZZKCLHGPDZXNI-GFCCVEGCSA-N -2 3 365.357 0.732 20 0 FCADHL COCC1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCOCC1 ZINC001606840688 1288536468 /nfs/dbraw/zinc/53/64/68/1288536468.db2.gz HWTJXHMELLODOO-UHFFFAOYSA-N -2 3 350.418 0.563 20 0 FCADHL COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001606863247 1288542211 /nfs/dbraw/zinc/54/22/11/1288542211.db2.gz WXNVNDNUQDINQG-QMMMGPOBSA-N -3 3 369.754 0.945 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@H]1OCCO[C@H]1C(F)(F)F ZINC001606863572 1288542323 /nfs/dbraw/zinc/54/23/23/1288542323.db2.gz GQLMJUWRZUVPGO-VHSXEESVSA-N -2 3 359.264 0.623 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1OCCO[C@H]1C(F)(F)F ZINC001606863572 1288542328 /nfs/dbraw/zinc/54/23/28/1288542328.db2.gz GQLMJUWRZUVPGO-VHSXEESVSA-N -2 3 359.264 0.623 20 0 FCADHL O=C([O-])[C@@H](C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1CC1 ZINC001606958693 1288574290 /nfs/dbraw/zinc/57/42/90/1288574290.db2.gz DUWKOJWVWUUNDR-CYBMUJFWSA-N -2 3 357.374 0.021 20 0 FCADHL O=C([O-])[C@@H](C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1CC1 ZINC001606958693 1288574293 /nfs/dbraw/zinc/57/42/93/1288574293.db2.gz DUWKOJWVWUUNDR-CYBMUJFWSA-N -2 3 357.374 0.021 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC12CCC2 ZINC001606960722 1288576723 /nfs/dbraw/zinc/57/67/23/1288576723.db2.gz KQZHDVZXFZZBBU-LBPRGKRZSA-N -2 3 363.399 0.636 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC12CCC2 ZINC001606960722 1288576725 /nfs/dbraw/zinc/57/67/25/1288576725.db2.gz KQZHDVZXFZZBBU-LBPRGKRZSA-N -2 3 363.399 0.636 20 0 FCADHL O=C([O-])[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)CC1CC1 ZINC001606961069 1288576753 /nfs/dbraw/zinc/57/67/53/1288576753.db2.gz WLNWHOSOEQKLSY-NSHDSACASA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)CC1CC1 ZINC001606961069 1288576756 /nfs/dbraw/zinc/57/67/56/1288576756.db2.gz WLNWHOSOEQKLSY-NSHDSACASA-N -2 3 351.388 0.646 20 0 FCADHL O=C([O-])[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001606962172 1288577461 /nfs/dbraw/zinc/57/74/61/1288577461.db2.gz IDMNTBZLBYJDGJ-QMMMGPOBSA-N -2 3 359.364 0.154 20 0 FCADHL O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1ccc(-c2nnn[n-]2)s1 ZINC001607063911 1288636167 /nfs/dbraw/zinc/63/61/67/1288636167.db2.gz SMXVYCBGXLYUSE-UHFFFAOYSA-N -2 3 362.462 0.524 20 0 FCADHL O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1ccc(-c2nn[n-]n2)s1 ZINC001607063911 1288636169 /nfs/dbraw/zinc/63/61/69/1288636169.db2.gz SMXVYCBGXLYUSE-UHFFFAOYSA-N -2 3 362.462 0.524 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2cccn2)nc1)c1cncc(-c2nnn[n-]2)c1 ZINC001607068774 1288641513 /nfs/dbraw/zinc/64/15/13/1288641513.db2.gz WKBYKPHQXSELRK-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2cccn2)nc1)c1cncc(-c2nn[n-]n2)c1 ZINC001607068774 1288641514 /nfs/dbraw/zinc/64/15/14/1288641514.db2.gz WKBYKPHQXSELRK-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1C(=O)[O-] ZINC001607939773 1288749472 /nfs/dbraw/zinc/74/94/72/1288749472.db2.gz GMWVPNUTOJNWFL-NWDGAFQWSA-N -2 3 367.431 0.840 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)c1C(=O)[O-] ZINC001607939290 1288749591 /nfs/dbraw/zinc/74/95/91/1288749591.db2.gz AZDKTASIAPOPNM-TVQRCGJNSA-N -2 3 361.445 0.749 20 0 FCADHL O=C([O-])[C@@H](CC1OCCO1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001608533186 1288854513 /nfs/dbraw/zinc/85/45/13/1288854513.db2.gz AHVDUDYLUJPHAU-SECBINFHSA-N -2 3 355.290 0.598 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)ccc1F ZINC001608858886 1288876861 /nfs/dbraw/zinc/87/68/61/1288876861.db2.gz NMDKUPKGPJEEIF-UHFFFAOYSA-N -2 3 353.331 0.767 20 0 FCADHL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)o1 ZINC001609066475 1288897790 /nfs/dbraw/zinc/89/77/90/1288897790.db2.gz CXJSDOPOYJVQKQ-UHFFFAOYSA-N -2 3 361.339 0.781 20 0 FCADHL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)o1 ZINC001609066475 1288897792 /nfs/dbraw/zinc/89/77/92/1288897792.db2.gz CXJSDOPOYJVQKQ-UHFFFAOYSA-N -2 3 361.339 0.781 20 0 FCADHL CC1(C)CCCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001609145526 1288946982 /nfs/dbraw/zinc/94/69/82/1288946982.db2.gz QNWJDSZPPMSTFJ-LLVKDONJSA-N -2 3 366.403 0.526 20 0 FCADHL CC1(C)CCCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001609145526 1288946984 /nfs/dbraw/zinc/94/69/84/1288946984.db2.gz QNWJDSZPPMSTFJ-LLVKDONJSA-N -2 3 366.403 0.526 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609161644 1288959323 /nfs/dbraw/zinc/95/93/23/1288959323.db2.gz WVSZNDQEOMNOPA-UWVGGRQHSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609161644 1288959324 /nfs/dbraw/zinc/95/93/24/1288959324.db2.gz WVSZNDQEOMNOPA-UWVGGRQHSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001609161360 1288960165 /nfs/dbraw/zinc/96/01/65/1288960165.db2.gz SVOYNLXGFVVVLE-ZJUUUORDSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001609161360 1288960169 /nfs/dbraw/zinc/96/01/69/1288960169.db2.gz SVOYNLXGFVVVLE-ZJUUUORDSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC001609167238 1288961385 /nfs/dbraw/zinc/96/13/85/1288961385.db2.gz RROQGJOVVSEAAK-JOYOIKCWSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] ZINC001609167238 1288961388 /nfs/dbraw/zinc/96/13/88/1288961388.db2.gz RROQGJOVVSEAAK-JOYOIKCWSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001609175624 1288968684 /nfs/dbraw/zinc/96/86/84/1288968684.db2.gz VLYMKRNXVZUAOT-LNLATYFQSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001609175624 1288968692 /nfs/dbraw/zinc/96/86/92/1288968692.db2.gz VLYMKRNXVZUAOT-LNLATYFQSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001609179138 1288973687 /nfs/dbraw/zinc/97/36/87/1288973687.db2.gz MAOFTTITPALDOA-MUWHJKNJSA-N -2 3 373.391 0.543 20 0 FCADHL C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001609179138 1288973689 /nfs/dbraw/zinc/97/36/89/1288973689.db2.gz MAOFTTITPALDOA-MUWHJKNJSA-N -2 3 373.391 0.543 20 0 FCADHL CCC(CC)(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001609189108 1288976436 /nfs/dbraw/zinc/97/64/36/1288976436.db2.gz SXKWLQILJYLBRG-UHFFFAOYSA-N -2 3 360.374 0.812 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1)CC(=O)[O-] ZINC001609190210 1288978271 /nfs/dbraw/zinc/97/82/71/1288978271.db2.gz CDLOKFJMZGGFMV-SECBINFHSA-N -2 3 354.392 0.349 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1)CC(=O)[O-] ZINC001609190210 1288978277 /nfs/dbraw/zinc/97/82/77/1288978277.db2.gz CDLOKFJMZGGFMV-SECBINFHSA-N -2 3 354.392 0.349 20 0 FCADHL O=C(CCn1cccn1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609525954 1289194457 /nfs/dbraw/zinc/19/44/57/1289194457.db2.gz YJKAJYOHHODGBR-UHFFFAOYSA-N -2 3 361.387 0.100 20 0 FCADHL O=C(CCn1cccn1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609525954 1289194461 /nfs/dbraw/zinc/19/44/61/1289194461.db2.gz YJKAJYOHHODGBR-UHFFFAOYSA-N -2 3 361.387 0.100 20 0 FCADHL O=C(COC1CCCC1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609529649 1289198604 /nfs/dbraw/zinc/19/86/04/1289198604.db2.gz BFGDUKZDXMNJGA-UHFFFAOYSA-N -2 3 351.388 0.631 20 0 FCADHL O=C(COC1CCCC1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609529649 1289198607 /nfs/dbraw/zinc/19/86/07/1289198607.db2.gz BFGDUKZDXMNJGA-UHFFFAOYSA-N -2 3 351.388 0.631 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)c1ccoc1C1CC1 ZINC001609560319 1289225019 /nfs/dbraw/zinc/22/50/19/1289225019.db2.gz HTJPAKFQRFXKEU-UHFFFAOYSA-N -2 3 360.355 0.851 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)c1ccoc1C1CC1 ZINC001609560319 1289225028 /nfs/dbraw/zinc/22/50/28/1289225028.db2.gz HTJPAKFQRFXKEU-UHFFFAOYSA-N -2 3 360.355 0.851 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@H]1CCCC(F)(F)C1 ZINC001609560350 1289225900 /nfs/dbraw/zinc/22/59/00/1289225900.db2.gz JRSKDYAYCVZWCJ-QMMMGPOBSA-N -2 3 372.357 0.892 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@H]1CCCC(F)(F)C1 ZINC001609560350 1289225907 /nfs/dbraw/zinc/22/59/07/1289225907.db2.gz JRSKDYAYCVZWCJ-QMMMGPOBSA-N -2 3 372.357 0.892 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001609571460 1289232345 /nfs/dbraw/zinc/23/23/45/1289232345.db2.gz IJRPZHKDRMLNQZ-RKDXNWHRSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001609571460 1289232351 /nfs/dbraw/zinc/23/23/51/1289232351.db2.gz IJRPZHKDRMLNQZ-RKDXNWHRSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609571735 1289234475 /nfs/dbraw/zinc/23/44/75/1289234475.db2.gz RPYKEFOBKVJKHC-LBPRGKRZSA-N -2 3 365.415 0.883 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001609572074 1289234489 /nfs/dbraw/zinc/23/44/89/1289234489.db2.gz XVUVLYYITXRAPW-SNVBAGLBSA-N -2 3 351.388 0.742 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001609572074 1289234496 /nfs/dbraw/zinc/23/44/96/1289234496.db2.gz XVUVLYYITXRAPW-SNVBAGLBSA-N -2 3 351.388 0.742 20 0 FCADHL O=C1CCN1c1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001609588790 1289244860 /nfs/dbraw/zinc/24/48/60/1289244860.db2.gz KLPFCWNVFJVLAK-UHFFFAOYSA-N -2 3 371.382 0.799 20 0 FCADHL O=C1CCN1c1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001609588790 1289244863 /nfs/dbraw/zinc/24/48/63/1289244863.db2.gz KLPFCWNVFJVLAK-UHFFFAOYSA-N -2 3 371.382 0.799 20 0 FCADHL CC(C)[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])N1CCOCC1 ZINC001609684965 1289279499 /nfs/dbraw/zinc/27/94/99/1289279499.db2.gz HVYPXHIIAKPSIU-JTQLQIEISA-N -2 3 363.461 0.476 20 0 FCADHL CC[C@@](COC)([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-] ZINC001609926727 1289330296 /nfs/dbraw/zinc/33/02/96/1289330296.db2.gz WMXCXZGYLNWARB-ZDUSSCGKSA-N -2 3 362.335 0.418 20 0 FCADHL COCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC ZINC001610253543 1289438760 /nfs/dbraw/zinc/43/87/60/1289438760.db2.gz DRFBNXYYFPSXJX-QMMMGPOBSA-N -2 3 367.326 0.519 20 0 FCADHL Cc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[n-]c2=O)cc1F ZINC001610504073 1289496551 /nfs/dbraw/zinc/49/65/51/1289496551.db2.gz GJSLKDREEXLYIZ-VIFPVBQESA-N -3 3 355.322 0.754 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1C(=O)[O-] ZINC001610550013 1289507273 /nfs/dbraw/zinc/50/72/73/1289507273.db2.gz UAUOSDDXZKPBAJ-JQWIXIFHSA-N -2 3 373.431 0.262 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CCC(=O)NCc2cccnc2)cc1C(=O)[O-] ZINC001610587182 1289517957 /nfs/dbraw/zinc/51/79/57/1289517957.db2.gz WLOUPPGRROGYOQ-UHFFFAOYSA-N -2 3 367.383 0.666 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001610676906 1289548829 /nfs/dbraw/zinc/54/88/29/1289548829.db2.gz QEOXETGBIZAMQU-APPZFPTMSA-N -2 3 374.191 0.471 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCNC(=O)c1ccccc1F ZINC001610693534 1289557239 /nfs/dbraw/zinc/55/72/39/1289557239.db2.gz QVCGPANIBGPZEG-UHFFFAOYSA-N -2 3 373.387 0.689 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC2CCS(=O)(=O)CC2)c1 ZINC001610866624 1289612965 /nfs/dbraw/zinc/61/29/65/1289612965.db2.gz ANLPQBIHGBXQLX-UHFFFAOYSA-N -2 3 351.402 0.471 20 0 FCADHL Cn1cncc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000388562511 836055768 /nfs/dbraw/zinc/05/57/68/836055768.db2.gz OONNAHFGFKWHSR-UHFFFAOYSA-N -2 3 364.177 0.952 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCCS1 ZINC000826450546 836527553 /nfs/dbraw/zinc/52/75/53/836527553.db2.gz QURIWQWGTPWMHN-NSHDSACASA-N -2 3 353.429 0.957 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCCS1 ZINC000826450546 836527562 /nfs/dbraw/zinc/52/75/62/836527562.db2.gz QURIWQWGTPWMHN-NSHDSACASA-N -2 3 353.429 0.957 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450641 836527984 /nfs/dbraw/zinc/52/79/84/836527984.db2.gz WLTVPZUSQZFTCQ-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450641 836527988 /nfs/dbraw/zinc/52/79/88/836527988.db2.gz WLTVPZUSQZFTCQ-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL O=C(c1nc[n-]c(=O)c1Br)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001137731056 849279845 /nfs/dbraw/zinc/27/98/45/849279845.db2.gz XXBFYVFJDMPQKX-ZCFIWIBFSA-N -2 3 354.168 0.478 20 0 FCADHL O=C(c1nc[n-]c(=O)c1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001137731056 849279851 /nfs/dbraw/zinc/27/98/51/849279851.db2.gz XXBFYVFJDMPQKX-ZCFIWIBFSA-N -2 3 354.168 0.478 20 0 FCADHL O=C(Cn1cc(F)c(=O)[n-]c1=O)Nc1nc(Br)ccc1[O-] ZINC001183655785 851259993 /nfs/dbraw/zinc/25/99/93/851259993.db2.gz SOQHMLHNUKNGDB-UHFFFAOYSA-N -2 3 359.111 0.590 20 0 FCADHL CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001183874927 851274702 /nfs/dbraw/zinc/27/47/02/851274702.db2.gz ITSXXWNASAVOFM-NSHDSACASA-N -2 3 366.351 0.297 20 0 FCADHL CCOc1ccc(S(=O)(=O)NC(C(=O)OC)=C(C)[O-])cc1C(=O)[O-] ZINC001192664973 852271767 /nfs/dbraw/zinc/27/17/67/852271767.db2.gz VGTRDRZOUWABDO-LBPRGKRZSA-N -2 3 359.356 0.192 20 0 FCADHL COC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)nc1OC ZINC001198710130 853306478 /nfs/dbraw/zinc/30/64/78/853306478.db2.gz IJWJXZWTPSJFCA-ZETCQYMHSA-N -2 3 366.779 0.428 20 0 FCADHL COC(=O)[C@@H]1C[C@@H](OCCP(=O)([O-])[O-])CN1C(=O)OC(C)(C)C ZINC001224608105 856991548 /nfs/dbraw/zinc/99/15/48/856991548.db2.gz ZEFGPAUGHJQDDG-ZJUUUORDSA-N -2 3 353.308 0.732 20 0 FCADHL CCc1cnc(=S)[n-]c1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001227062361 857139137 /nfs/dbraw/zinc/13/91/37/857139137.db2.gz VCCKPRLNYXMSBD-LLVKDONJSA-N -2 3 363.461 0.295 20 0 FCADHL CCc1cnc(=S)[n-]c1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001227062362 857139467 /nfs/dbraw/zinc/13/94/67/857139467.db2.gz VCCKPRLNYXMSBD-NSHDSACASA-N -2 3 363.461 0.295 20 0 FCADHL COC(=O)[C@@H]1[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227569481 857166123 /nfs/dbraw/zinc/16/61/23/857166123.db2.gz BVRDKTPIJVSOHU-SFYZADRCSA-N -2 3 356.335 0.213 20 0 FCADHL COC(=O)[C@@H]1C[C@@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)CN1C ZINC001227595872 857167187 /nfs/dbraw/zinc/16/71/87/857167187.db2.gz DJRKAZVKCSZROY-RITPCOANSA-N -2 3 372.179 0.446 20 0 FCADHL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=S)nc2cnccc21)[C@H](O)C(=O)[O-] ZINC001227886343 857182587 /nfs/dbraw/zinc/18/25/87/857182587.db2.gz SWUAAHDZAAXULO-MUWHJKNJSA-N -3 3 353.312 0.129 20 0 FCADHL Cc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])[n-]c(=O)nc12 ZINC001229407845 857268261 /nfs/dbraw/zinc/26/82/61/857268261.db2.gz QGOHOEYYGXJOJJ-KWQFWETISA-N -3 3 350.283 0.086 20 0 FCADHL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=S)nc2sccc21)[C@H](O)C(=O)[O-] ZINC001229570076 857275607 /nfs/dbraw/zinc/27/56/07/857275607.db2.gz OIJLMWMESWVHCO-FSPLSTOPSA-N -3 3 358.353 0.422 20 0 FCADHL NC(=O)c1cc([O-])cc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)c1 ZINC001260176804 858345845 /nfs/dbraw/zinc/34/58/45/858345845.db2.gz XDLVIYVJGUFHLI-UHFFFAOYSA-N -2 3 368.762 0.383 20 0 FCADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(=O)[nH]c(=O)n2C2CC2)c1 ZINC001260217616 858355880 /nfs/dbraw/zinc/35/58/80/858355880.db2.gz XUKWXXNKDZMJJB-UHFFFAOYSA-N -2 3 369.330 0.922 20 0 FCADHL CN1CCO[C@@]2(CCCN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C2)C1 ZINC001272191140 860110580 /nfs/dbraw/zinc/11/05/80/860110580.db2.gz LKGABCQJYVDVDR-INIZCTEOSA-N -2 3 370.427 0.576 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)c(=O)[n-]1 ZINC001320640168 868229586 /nfs/dbraw/zinc/22/95/86/868229586.db2.gz MKEBSFCEYRNYNA-UHFFFAOYSA-N -2 3 363.395 0.877 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CC(C(=O)[O-])C2)CCCC1 ZINC001600810252 970870113 /nfs/dbraw/zinc/87/01/13/970870113.db2.gz WYPBJCPSPAXMHP-UHFFFAOYSA-N -2 3 371.415 0.426 20 0 FCADHL C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000324533725 971130348 /nfs/dbraw/zinc/13/03/48/971130348.db2.gz UMJCPPJXWLGUEI-WPPNPWJKSA-N -2 3 351.327 0.481 20 0 FCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000823061076 946299984 /nfs/dbraw/zinc/29/99/84/946299984.db2.gz VACZFUWOMNVHHI-UHFFFAOYSA-N -2 3 374.430 0.673 20 0 FCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000823061076 946299989 /nfs/dbraw/zinc/29/99/89/946299989.db2.gz VACZFUWOMNVHHI-UHFFFAOYSA-N -2 3 374.430 0.673 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1C(N)=O ZINC000826211795 947620607 /nfs/dbraw/zinc/62/06/07/947620607.db2.gz UYLQNPDXLNADGP-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1nc(=O)o[n-]1 ZINC001573822840 949811086 /nfs/dbraw/zinc/81/10/86/949811086.db2.gz NYKSBLPXNXMEOQ-LBPRGKRZSA-N -2 3 373.373 0.825 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574768062 950880106 /nfs/dbraw/zinc/88/01/06/950880106.db2.gz XJLVRZILDMISSA-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574768062 950880124 /nfs/dbraw/zinc/88/01/24/950880124.db2.gz XJLVRZILDMISSA-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571033187 951567345 /nfs/dbraw/zinc/56/73/45/951567345.db2.gz XAHURPJGJRBXPD-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571033187 951567356 /nfs/dbraw/zinc/56/73/56/951567356.db2.gz XAHURPJGJRBXPD-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575067192 951604805 /nfs/dbraw/zinc/60/48/05/951604805.db2.gz JZOWFBPFGUIRFB-JTQLQIEISA-N -2 3 354.374 0.617 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575067956 951628144 /nfs/dbraw/zinc/62/81/44/951628144.db2.gz SVYSYRRMTOKPLT-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575068095 951630583 /nfs/dbraw/zinc/63/05/83/951630583.db2.gz XISIZZBWVGBSKU-VIFPVBQESA-N -2 3 372.364 0.979 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575068095 951630592 /nfs/dbraw/zinc/63/05/92/951630592.db2.gz XISIZZBWVGBSKU-VIFPVBQESA-N -2 3 372.364 0.979 20 0 FCADHL O=C([O-])CN1CCCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1=O ZINC001595094937 951807366 /nfs/dbraw/zinc/80/73/66/951807366.db2.gz ZHYXKLYWSIKOQU-LBPRGKRZSA-N -2 3 353.350 0.796 20 0 FCADHL CCc1ncc(S(=O)(=O)[N-][C@H]2CCCCN(CC(=O)[O-])C2=O)s1 ZINC001593653928 953729394 /nfs/dbraw/zinc/72/93/94/953729394.db2.gz HYFHTAKMBUMCQA-VIFPVBQESA-N -2 3 361.445 0.450 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1 ZINC000738544894 955249141 /nfs/dbraw/zinc/24/91/41/955249141.db2.gz FVPIJWQJMYZMJW-JTQLQIEISA-N -2 3 353.360 0.015 20 0 FCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C(=O)[O-] ZINC001593849911 955446247 /nfs/dbraw/zinc/44/62/47/955446247.db2.gz PPFXMXFGARQSQZ-HXNGOWOSSA-N -2 3 358.438 0.124 20 0 FCADHL NC(=O)c1cc(S(=O)(=O)[N-]CCC(=O)[O-])c(Br)cc1F ZINC001594650035 956467090 /nfs/dbraw/zinc/46/70/90/956467090.db2.gz XUPSGTMIKIBTDF-UHFFFAOYSA-N -2 3 369.168 0.440 20 0 FCADHL COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(OC)c([O-])c(OC)c2)CCO1 ZINC001593979666 956703358 /nfs/dbraw/zinc/70/33/58/956703358.db2.gz FMKVWOSLHBAREM-INIZCTEOSA-N -2 3 355.343 0.352 20 0 FCADHL O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nnn[n-]3)cn1)O2 ZINC001605769261 972465507 /nfs/dbraw/zinc/46/55/07/972465507.db2.gz HZLXLCLOYMNONB-NOEPWBJOSA-N -2 3 358.358 0.404 20 0 FCADHL O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nn[n-]n3)cn1)O2 ZINC001605769261 972465515 /nfs/dbraw/zinc/46/55/15/972465515.db2.gz HZLXLCLOYMNONB-NOEPWBJOSA-N -2 3 358.358 0.404 20 0 FCADHL COC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000229032801 960054093 /nfs/dbraw/zinc/05/40/93/960054093.db2.gz MGIGCEKTWAMTBE-RXMQYKEDSA-N -2 3 358.166 0.026 20 0 FCADHL Cn1ncc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])c1Br ZINC001574472805 961614346 /nfs/dbraw/zinc/61/43/46/961614346.db2.gz IIZXZIQYDOCURU-UHFFFAOYSA-N -2 3 354.226 0.962 20 0 FCADHL O=C([O-])C1(C(=O)NCCNC(=O)c2ccc([O-])cc2)CCSCC1 ZINC001574570714 962053445 /nfs/dbraw/zinc/05/34/45/962053445.db2.gz DFRKHMYUNBZJRG-UHFFFAOYSA-N -2 3 352.412 0.836 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)COCC(=O)[O-])s1 ZINC001573407479 963149534 /nfs/dbraw/zinc/14/95/34/963149534.db2.gz UYLMICJYKKWUKM-UHFFFAOYSA-N -2 3 351.406 0.260 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cnc(C(=O)[O-])cn3)CC2)n1 ZINC001605092074 972740476 /nfs/dbraw/zinc/74/04/76/972740476.db2.gz KJPXINBIBGTDSC-UHFFFAOYSA-N -2 3 358.358 0.378 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3cnc(C(=O)[O-])cn3)C2)n1 ZINC001605093125 972747639 /nfs/dbraw/zinc/74/76/39/972747639.db2.gz WRIMSGPSTDYLBM-JTQLQIEISA-N -2 3 358.358 0.378 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001603351693 972769298 /nfs/dbraw/zinc/76/92/98/972769298.db2.gz BEVJHKTYUDKBTR-GXTWGEPZSA-N -2 3 357.370 0.334 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001603351696 972770186 /nfs/dbraw/zinc/77/01/86/972770186.db2.gz BEVJHKTYUDKBTR-OCCSQVGLSA-N -2 3 357.370 0.334 20 0 FCADHL O=C([O-])C[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000398331976 973119905 /nfs/dbraw/zinc/11/99/05/973119905.db2.gz NQELNMHXWUJPFT-ZETCQYMHSA-N -2 3 356.169 0.702 20 0 FCADHL O=C([O-])Cn1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC001606355088 973806168 /nfs/dbraw/zinc/80/61/68/973806168.db2.gz FSEIJEWJIOGRSA-UHFFFAOYSA-N -2 3 354.326 0.043 20 0 FCADHL O=C([O-])Cn1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001606355088 973806175 /nfs/dbraw/zinc/80/61/75/973806175.db2.gz FSEIJEWJIOGRSA-UHFFFAOYSA-N -2 3 354.326 0.043 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC001603601719 973857231 /nfs/dbraw/zinc/85/72/31/973857231.db2.gz XQECNSIJUICKPR-OAHLLOKOSA-N -2 3 350.379 0.806 20 0 FCADHL C[C@](CC(=O)[O-])(NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001592304062 977661777 /nfs/dbraw/zinc/66/17/77/977661777.db2.gz INDCZFATVOFSHK-MRXNPFEDSA-N -2 3 353.342 0.777 20 0 FCADHL C[C@](CC(=O)[O-])(NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001592304062 977661782 /nfs/dbraw/zinc/66/17/82/977661782.db2.gz INDCZFATVOFSHK-MRXNPFEDSA-N -2 3 353.342 0.777 20 0 FCADHL C[C@@H](CS(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001592808648 979484357 /nfs/dbraw/zinc/48/43/57/979484357.db2.gz SHEAXQYALXJMMP-AAEUAGOBSA-N -2 3 372.443 0.975 20 0 FCADHL CC[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC001595144657 979609574 /nfs/dbraw/zinc/60/95/74/979609574.db2.gz SBSLZCGIBYNLOI-ZETCQYMHSA-N -2 3 354.837 0.907 20 0 FCADHL CC[C@@](COC)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)C(=O)[O-] ZINC001595193196 979885508 /nfs/dbraw/zinc/88/55/08/979885508.db2.gz HNHPXUXIWVYVLF-AWEZNQCLSA-N -2 3 362.379 0.343 20 0 FCADHL CC[C@@H](C)[C@@H](NC(=O)CSc1nc2c(cnn2C)c(=O)[n-]1)C(=O)[O-] ZINC001594904389 982378089 /nfs/dbraw/zinc/37/80/89/982378089.db2.gz ZIYAOGBRQKMACJ-GMSGAONNSA-N -2 3 353.404 0.777 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)s1 ZINC001589224810 985748781 /nfs/dbraw/zinc/74/87/81/985748781.db2.gz LIBJTLDLXZMHIG-UHFFFAOYSA-N -2 3 363.417 0.404 20 0 FCADHL CC(=O)c1cccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[n-]c2=O)c1 ZINC001589309440 986079002 /nfs/dbraw/zinc/07/90/02/986079002.db2.gz METSJAZDPLUXIF-SNVBAGLBSA-N -3 3 365.342 0.509 20 0 FCADHL CCOc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]CC(F)(F)C(=O)[O-] ZINC001597076424 986609642 /nfs/dbraw/zinc/60/96/42/986609642.db2.gz QMSDRVYZRHPYMB-UHFFFAOYSA-N -2 3 367.326 0.870 20 0 FCADHL CSCC[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)N(C)C ZINC001599801735 988188006 /nfs/dbraw/zinc/18/80/06/988188006.db2.gz YCNLUBAHYZNPCD-VIFPVBQESA-N -2 3 364.445 0.774 20 0 FCADHL CC(C)(C)OC(=O)NCC=CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001590176933 989511190 /nfs/dbraw/zinc/51/11/90/989511190.db2.gz DXWFQNVVLRPDRC-PLNGDYQASA-N -2 3 360.392 0.467 20 0 FCADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@]1(O)CCCOC1 ZINC001590774330 990577163 /nfs/dbraw/zinc/57/71/63/990577163.db2.gz QCQQWJPMNJITSR-ZDUSSCGKSA-N -2 3 364.445 0.687 20 0 FCADHL COc1nn(C)cc1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001599738579 991812845 /nfs/dbraw/zinc/81/28/45/991812845.db2.gz BGBBUJCCOFLHGC-UHFFFAOYSA-N -2 3 361.326 0.884 20 0 FCADHL C[C@H](NC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593062867 993583218 /nfs/dbraw/zinc/58/32/18/993583218.db2.gz MSRXHSUKTYNSLD-ZDEQEGDKSA-N -2 3 355.435 0.780 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)c(C)o1 ZINC001598673144 994793417 /nfs/dbraw/zinc/79/34/17/994793417.db2.gz HJTFIWKEDQCZKW-LBPRGKRZSA-N -2 3 367.383 0.837 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])ccc1F ZINC001598673723 994804193 /nfs/dbraw/zinc/80/41/93/994804193.db2.gz XTCANZQTAIARAR-JTQLQIEISA-N -2 3 360.363 0.050 20 0 FCADHL COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001598695962 995138567 /nfs/dbraw/zinc/13/85/67/995138567.db2.gz BMRGFQQEBBJEBY-NXEZZACHSA-N -2 3 361.372 0.614 20 0 FCADHL COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598703296 995251981 /nfs/dbraw/zinc/25/19/81/995251981.db2.gz GLZPZFSAGQZVHV-GFCCVEGCSA-N -2 3 356.400 0.340 20 0 FCADHL COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598705577 995282391 /nfs/dbraw/zinc/28/23/91/995282391.db2.gz VTPBTGPTVNCIBL-NSHDSACASA-N -2 3 368.367 0.744 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC001598710967 995348561 /nfs/dbraw/zinc/34/85/61/995348561.db2.gz WLFQEUCOVYMGAA-NNYUYHANSA-N -2 3 351.421 0.373 20 0 FCADHL COC(=O)[C@@H](C[N-]S(=O)(=O)CC1(C(=O)[O-])CC1)Oc1ccccc1 ZINC001598894923 997063163 /nfs/dbraw/zinc/06/31/63/997063163.db2.gz XPUQZDLJNIWAJY-GFCCVEGCSA-N -2 3 357.384 0.391 20 0 FCADHL COCC1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCOCC1 ZINC001599199195 997273417 /nfs/dbraw/zinc/27/34/17/997273417.db2.gz ONRRYWNOHGKTLU-UHFFFAOYSA-N -2 3 350.418 0.563 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCCCC1 ZINC001598912440 997394666 /nfs/dbraw/zinc/39/46/66/997394666.db2.gz VWJMNOSXJHXGIA-LLVKDONJSA-N -2 3 359.404 0.817 20 0 FCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1nc(C(=O)[O-])co1 ZINC001598914151 997426331 /nfs/dbraw/zinc/42/63/31/997426331.db2.gz PCNAIGZEDURPPT-UHFFFAOYSA-N -2 3 358.303 0.777 20 0 FCADHL COCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)[O-] ZINC001599215475 997574012 /nfs/dbraw/zinc/57/40/12/997574012.db2.gz LULORUCGVRQIQV-CHWSQXEVSA-N -2 3 350.371 0.603 20 0 FCADHL COC[C@@](C)(CC(=O)[O-])NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001599147064 998231766 /nfs/dbraw/zinc/23/17/66/998231766.db2.gz KADOEMQRCNLLNO-QGZVFWFLSA-N 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ZINC000295338095 214292369 /nfs/dbraw/zinc/29/23/69/214292369.db2.gz MXWUYQPUSCJHOG-GFCCVEGCSA-N -2 3 360.370 0.508 20 0 FCADHL CCOC[C@@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1F)C(=O)[O-] ZINC000290995698 214008852 /nfs/dbraw/zinc/00/88/52/214008852.db2.gz SGYGUUCVKCQWFY-SECBINFHSA-N -2 3 351.352 0.611 20 0 FCADHL CCOC[C@H]([N-]S(=O)(=O)c1ccc(CC(=O)OC)s1)C(=O)[O-] ZINC000290427715 213961750 /nfs/dbraw/zinc/96/17/50/213961750.db2.gz ASIIRSCBSXIVIV-VIFPVBQESA-N -2 3 351.402 0.232 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]c2c(C(=O)OC)c[n-]c2C(=O)OC)cn1 ZINC000283767878 213006527 /nfs/dbraw/zinc/00/65/27/213006527.db2.gz AFVLRLMSAQJTRO-UHFFFAOYSA-N -2 3 356.360 0.605 20 0 FCADHL C[C@@H](C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)CC(=O)[O-] ZINC000277257793 212343987 /nfs/dbraw/zinc/34/39/87/212343987.db2.gz MNEMKKKVGHGHQU-SNVBAGLBSA-N -2 3 364.445 0.326 20 0 FCADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]CCN2CCCOCC2)c1F ZINC000275620685 212061733 /nfs/dbraw/zinc/06/17/33/212061733.db2.gz MLWTYDMOVVPTIJ-UHFFFAOYSA-N -2 3 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373.369 0.732 20 0 FCADHL CO[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)[C@](C)(C(=O)[O-])C1 ZINC000630310815 492737811 /nfs/dbraw/zinc/73/78/11/492737811.db2.gz LBPMQSCPLYNPLA-RNCFNFMXSA-N -2 3 362.429 0.117 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC000659212137 493168981 /nfs/dbraw/zinc/16/89/81/493168981.db2.gz IXSLUUUPIJXFPB-SDBXPKJASA-N -2 3 365.383 0.277 20 0 FCADHL C[C@](CCF)(NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-] ZINC000659214844 493169234 /nfs/dbraw/zinc/16/92/34/493169234.db2.gz ZVOBAPXXNMJKQE-MRXNPFEDSA-N -2 3 351.334 0.811 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659224429 493173902 /nfs/dbraw/zinc/17/39/02/493173902.db2.gz KCYHEIPSXNJZGS-MXWKQRLJSA-N -2 3 360.457 0.984 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000675983337 493516173 /nfs/dbraw/zinc/51/61/73/493516173.db2.gz GNTOXWPQDXFRMB-KWQFWETISA-N -2 3 361.420 0.574 20 0 FCADHL COCCN(CC(=O)[O-])C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000676207713 493530292 /nfs/dbraw/zinc/53/02/92/493530292.db2.gz LSVYTGRHVZDQFG-JTQLQIEISA-N -2 3 362.379 0.052 20 0 FCADHL O=C([O-])C1(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CCCC1 ZINC000676210423 493530530 /nfs/dbraw/zinc/53/05/30/493530530.db2.gz XKEAVCVWOLNOGK-UHFFFAOYSA-N -2 3 357.366 0.772 20 0 FCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@](C)(OC)C(=O)[O-])cc1OC ZINC000663093959 493570946 /nfs/dbraw/zinc/57/09/46/493570946.db2.gz CYGDFIDXEOMRDL-CQSZACIVSA-N -2 3 360.388 0.885 20 0 FCADHL CCc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)cn1CC1CC1 ZINC000663285013 493581604 /nfs/dbraw/zinc/58/16/04/493581604.db2.gz BMPYEUKIGVQPDR-SMDDNHRTSA-N -2 3 357.432 0.624 20 0 FCADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2nnnn2C2CC2)c1 ZINC000680654764 493728941 /nfs/dbraw/zinc/72/89/41/493728941.db2.gz FJSIFACNAREWFM-UHFFFAOYSA-N -2 3 355.351 0.632 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]CCCCn2cc(C(=O)[O-])nn2)c(F)c1 ZINC000666166607 493760655 /nfs/dbraw/zinc/76/06/55/493760655.db2.gz LEPLSRBOKSNTNX-UHFFFAOYSA-N -2 3 372.378 0.883 20 0 FCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)c(F)c1 ZINC000325373489 546850175 /nfs/dbraw/zinc/85/01/75/546850175.db2.gz KVYVJBPLTCQEJY-UHFFFAOYSA-N -2 3 360.363 0.696 20 0 FCADHL Cc1cc(C[N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)no1 ZINC000546261038 547038848 /nfs/dbraw/zinc/03/88/48/547038848.db2.gz NLJYGELVNXLDBS-UHFFFAOYSA-N -2 3 353.356 0.276 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736968008 598858487 /nfs/dbraw/zinc/85/84/87/598858487.db2.gz CXXORMHLUDNMGV-JTQLQIEISA-N -2 3 353.404 0.280 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736968008 598858488 /nfs/dbraw/zinc/85/84/88/598858488.db2.gz CXXORMHLUDNMGV-JTQLQIEISA-N -2 3 353.404 0.280 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736972390 598858506 /nfs/dbraw/zinc/85/85/06/598858506.db2.gz XQJORTXPFAOCNS-DMEOUFDRSA-N -2 3 351.388 0.361 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736972390 598858507 /nfs/dbraw/zinc/85/85/07/598858507.db2.gz XQJORTXPFAOCNS-DMEOUFDRSA-N -2 3 351.388 0.361 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736972397 598858557 /nfs/dbraw/zinc/85/85/57/598858557.db2.gz XQJORTXPFAOCNS-QROSGCPLSA-N -2 3 351.388 0.361 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736972397 598858558 /nfs/dbraw/zinc/85/85/58/598858558.db2.gz XQJORTXPFAOCNS-QROSGCPLSA-N -2 3 351.388 0.361 20 0 FCADHL O=C(C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737824429 598910586 /nfs/dbraw/zinc/91/05/86/598910586.db2.gz UXCWYCYABVXXIO-QMMMGPOBSA-N -2 3 371.806 0.752 20 0 FCADHL O=C(C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737824429 598910588 /nfs/dbraw/zinc/91/05/88/598910588.db2.gz UXCWYCYABVXXIO-QMMMGPOBSA-N -2 3 371.806 0.752 20 0 FCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000736168113 599189860 /nfs/dbraw/zinc/18/98/60/599189860.db2.gz HPHVIEJOHORJIT-SNVBAGLBSA-N -2 3 374.382 0.534 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N(C)[C@H](C)C(=O)[O-])CCCC1 ZINC000262873863 597468878 /nfs/dbraw/zinc/46/88/78/597468878.db2.gz JRMDGRXOTGZPSW-SNVBAGLBSA-N -2 3 373.431 0.814 20 0 FCADHL COC(=O)c1sc2[n-]c(CN3CC[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000818528039 597535336 /nfs/dbraw/zinc/53/53/36/597535336.db2.gz HISJXBSISYMLLR-QMMMGPOBSA-N -2 3 351.384 0.986 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821087966 607319460 /nfs/dbraw/zinc/31/94/60/607319460.db2.gz IMVDZZAWXZKHMH-CMDGGOBGSA-N -2 3 350.404 0.583 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821087966 607319461 /nfs/dbraw/zinc/31/94/61/607319461.db2.gz IMVDZZAWXZKHMH-CMDGGOBGSA-N -2 3 350.404 0.583 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000737487297 598286991 /nfs/dbraw/zinc/28/69/91/598286991.db2.gz HHAJCMRBFQBNQL-UHFFFAOYSA-N -2 3 368.361 0.284 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1F ZINC000737761959 598367088 /nfs/dbraw/zinc/36/70/88/598367088.db2.gz VYMWVDQBLPMGDF-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1F ZINC000737761959 598367090 /nfs/dbraw/zinc/36/70/90/598367090.db2.gz VYMWVDQBLPMGDF-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N-]OCc1ccccc1 ZINC000737890226 598400389 /nfs/dbraw/zinc/40/03/89/598400389.db2.gz WBSJTMDFPQPGSC-UHFFFAOYSA-N -2 3 352.354 0.845 20 0 FCADHL O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N-]OCc1ccccc1 ZINC000737890226 598400390 /nfs/dbraw/zinc/40/03/90/598400390.db2.gz WBSJTMDFPQPGSC-UHFFFAOYSA-N -2 3 352.354 0.845 20 0 FCADHL COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736969699 598414522 /nfs/dbraw/zinc/41/45/22/598414522.db2.gz YBFHGWYJFUXEIZ-SSDOTTSWSA-N -2 3 359.795 0.608 20 0 FCADHL COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736969699 598414523 /nfs/dbraw/zinc/41/45/23/598414523.db2.gz YBFHGWYJFUXEIZ-SSDOTTSWSA-N -2 3 359.795 0.608 20 0 FCADHL CSC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737179220 598565739 /nfs/dbraw/zinc/56/57/39/598565739.db2.gz JKLFHFONPZCXIT-VIFPVBQESA-N -2 3 355.445 0.812 20 0 FCADHL CSC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737179220 598565742 /nfs/dbraw/zinc/56/57/42/598565742.db2.gz JKLFHFONPZCXIT-VIFPVBQESA-N -2 3 355.445 0.812 20 0 FCADHL CSC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737180844 598565828 /nfs/dbraw/zinc/56/58/28/598565828.db2.gz RXUZUUHSGWTNQX-VIFPVBQESA-N -2 3 355.445 0.812 20 0 FCADHL CSC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737180844 598565829 /nfs/dbraw/zinc/56/58/29/598565829.db2.gz RXUZUUHSGWTNQX-VIFPVBQESA-N -2 3 355.445 0.812 20 0 FCADHL O=C(c1cc(=O)[nH][n-]1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738296578 598721323 /nfs/dbraw/zinc/72/13/23/598721323.db2.gz KZQKAIPHBVZHEP-UHFFFAOYSA-N -2 3 355.358 0.112 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736659428 598752082 /nfs/dbraw/zinc/75/20/82/598752082.db2.gz RVSJUKFMWKFECW-GFCCVEGCSA-N -2 3 353.404 0.736 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736659428 598752083 /nfs/dbraw/zinc/75/20/83/598752083.db2.gz RVSJUKFMWKFECW-GFCCVEGCSA-N -2 3 353.404 0.736 20 0 FCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C(=O)N1c1cnn(C)c1 ZINC000828184058 600798463 /nfs/dbraw/zinc/79/84/63/600798463.db2.gz NPQXBAPQNPUBEP-WPRPVWTQSA-N -2 3 368.371 0.184 20 0 FCADHL CCC(CC)(NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-] ZINC000828835031 600925415 /nfs/dbraw/zinc/92/54/15/600925415.db2.gz DMYREYBDEHYGOQ-UHFFFAOYSA-N -2 3 362.180 0.471 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000831651221 601262959 /nfs/dbraw/zinc/26/29/59/601262959.db2.gz TXLQBSAZCNYXHM-SCZZXKLOSA-N -2 3 362.429 0.506 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)o1 ZINC000831029432 601291341 /nfs/dbraw/zinc/29/13/41/601291341.db2.gz RURCPAHZXROOPJ-JTQLQIEISA-N -2 3 373.431 0.117 20 0 FCADHL C[C@@H]1CN([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828433768 601635644 /nfs/dbraw/zinc/63/56/44/601635644.db2.gz ZXQIZZQIAOTSOS-SWHYSGLUSA-N -2 3 360.366 0.665 20 0 FCADHL COC[C@@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000831623446 601701273 /nfs/dbraw/zinc/70/12/73/601701273.db2.gz DTMIQEKCIONMDR-OAHLLOKOSA-N -2 3 374.390 0.486 20 0 FCADHL NC(=O)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833080156 601799728 /nfs/dbraw/zinc/79/97/28/601799728.db2.gz LPOFUUUFAZLXMM-IONNQARKSA-N -2 3 362.354 0.985 20 0 FCADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(N(C)C)n1 ZINC000826291831 607532615 /nfs/dbraw/zinc/53/26/15/607532615.db2.gz XVDXZJOLQXFREO-UHFFFAOYSA-N -2 3 360.403 0.832 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2N2CCOCC2)o1 ZINC000833325393 602002318 /nfs/dbraw/zinc/00/23/18/602002318.db2.gz WHZPYKASWRZRDF-VXGBXAGGSA-N -2 3 358.416 0.900 20 0 FCADHL C[C@H](CC(=O)NC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000827234610 602136538 /nfs/dbraw/zinc/13/65/38/602136538.db2.gz GGKLPXPXIJLTCJ-DTWKUNHWSA-N -2 3 363.823 0.629 20 0 FCADHL C[S@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000169121553 602156405 /nfs/dbraw/zinc/15/64/05/602156405.db2.gz FJLYYTNOUPCJKN-QGZVFWFLSA-N -2 3 360.207 0.397 20 0 FCADHL CC[C@@H](NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000769562825 602193407 /nfs/dbraw/zinc/19/34/07/602193407.db2.gz QHCGZCSZRLEQOO-DTWKUNHWSA-N -2 3 363.823 0.771 20 0 FCADHL O=S(=O)([N-][C@H]1CCC[C@@H](O)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487803 607592835 /nfs/dbraw/zinc/59/28/35/607592835.db2.gz AHZRAVUXMGSXNW-DTWKUNHWSA-N -2 3 359.358 0.727 20 0 FCADHL O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489916 607644625 /nfs/dbraw/zinc/64/46/25/607644625.db2.gz DGWXNXHRNUTWMD-UFBFGSQYSA-N -2 3 373.385 0.974 20 0 FCADHL COCCC(=O)N1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000831670956 604660074 /nfs/dbraw/zinc/66/00/74/604660074.db2.gz CMPWVYRMAMBKSD-UHFFFAOYSA-N -2 3 374.415 0.592 20 0 FCADHL C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cn(CC(=O)[O-])nn1 ZINC000833534803 604788610 /nfs/dbraw/zinc/78/86/10/604788610.db2.gz IYDQRPPUVIZPEE-SECBINFHSA-N -2 3 368.371 0.652 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000833324584 604812846 /nfs/dbraw/zinc/81/28/46/604812846.db2.gz HOULOSPGZJMRKA-ZETCQYMHSA-N -2 3 370.305 0.809 20 0 FCADHL CC(C)(C)[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000833426842 605003733 /nfs/dbraw/zinc/00/37/33/605003733.db2.gz OVQSXZQGHCIMLE-SECBINFHSA-N -2 3 372.407 0.726 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(O)CCC2)c(Br)o1 ZINC000127343786 605031618 /nfs/dbraw/zinc/03/16/18/605031618.db2.gz FMECDTOVUUHYDQ-UHFFFAOYSA-N -2 3 354.178 0.934 20 0 FCADHL CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])C1=O ZINC000833501416 605043213 /nfs/dbraw/zinc/04/32/13/605043213.db2.gz XMDVCPMHWCTFGA-LBPRGKRZSA-N -2 3 354.384 0.340 20 0 FCADHL COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000821712933 606163196 /nfs/dbraw/zinc/16/31/96/606163196.db2.gz NZHGISPBBOQVQU-UHFFFAOYSA-N -2 3 362.375 0.279 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC000819867040 606176514 /nfs/dbraw/zinc/17/65/14/606176514.db2.gz QJXFTADELKPRRP-VIFPVBQESA-N -2 3 361.387 0.209 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC000819867040 606176515 /nfs/dbraw/zinc/17/65/15/606176515.db2.gz QJXFTADELKPRRP-VIFPVBQESA-N -2 3 361.387 0.209 20 0 FCADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000819971851 606706956 /nfs/dbraw/zinc/70/69/56/606706956.db2.gz UNFAZUKKZJGGFH-VIFPVBQESA-N -2 3 355.424 0.739 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000822623385 606711494 /nfs/dbraw/zinc/71/14/94/606711494.db2.gz UXPNZSUMNSHALP-UHFFFAOYSA-N -2 3 363.359 0.172 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822941330 606746670 /nfs/dbraw/zinc/74/66/70/606746670.db2.gz UYLAPMVBEKIADG-LLVKDONJSA-N -2 3 351.388 0.631 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822941330 606746671 /nfs/dbraw/zinc/74/66/71/606746671.db2.gz UYLAPMVBEKIADG-LLVKDONJSA-N -2 3 351.388 0.631 20 0 FCADHL CC[S@@](=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821446682 606890075 /nfs/dbraw/zinc/89/00/75/606890075.db2.gz CIQDDFJYOWVRTL-JOCHJYFZSA-N -2 3 365.387 0.192 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CCOC1 ZINC000820438508 606893890 /nfs/dbraw/zinc/89/38/90/606893890.db2.gz QXGCKVBITDCUJE-SFYZADRCSA-N -2 3 359.358 0.848 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000821644868 606894046 /nfs/dbraw/zinc/89/40/46/606894046.db2.gz LJSSBIKEDGLWHN-SNVBAGLBSA-N -2 3 373.341 0.375 20 0 FCADHL Cn1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822684554 606923532 /nfs/dbraw/zinc/92/35/32/606923532.db2.gz BCSLLAMQRYGXSG-UHFFFAOYSA-N -2 3 366.790 0.977 20 0 FCADHL Cn1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822684554 606923533 /nfs/dbraw/zinc/92/35/33/606923533.db2.gz BCSLLAMQRYGXSG-UHFFFAOYSA-N -2 3 366.790 0.977 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000821700551 607105071 /nfs/dbraw/zinc/10/50/71/607105071.db2.gz RMDVXQQOXHQBND-VIFPVBQESA-N -2 3 361.358 0.718 20 0 FCADHL COCCN(CCC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821688907 607105291 /nfs/dbraw/zinc/10/52/91/607105291.db2.gz BZFOXMHGZXUHNP-LLVKDONJSA-N -2 3 363.374 0.584 20 0 FCADHL COCCN(CCC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821688907 607105293 /nfs/dbraw/zinc/10/52/93/607105293.db2.gz BZFOXMHGZXUHNP-LLVKDONJSA-N -2 3 363.374 0.584 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000820536502 607110504 /nfs/dbraw/zinc/11/05/04/607110504.db2.gz VFIDYLTTYBPHON-SNVBAGLBSA-N -2 3 361.358 0.072 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000820536502 607110505 /nfs/dbraw/zinc/11/05/05/607110505.db2.gz VFIDYLTTYBPHON-SNVBAGLBSA-N -2 3 361.358 0.072 20 0 FCADHL O=S(=O)([N-]c1ccnn1-c1ccncc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589398 607123350 /nfs/dbraw/zinc/12/33/50/607123350.db2.gz YBOSVGNAYSUGDP-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL Cc1ncccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822471793 607184681 /nfs/dbraw/zinc/18/46/81/607184681.db2.gz JWZUHYAIGPIAKP-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1ncccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822471793 607184682 /nfs/dbraw/zinc/18/46/82/607184682.db2.gz JWZUHYAIGPIAKP-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc2ncccc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450266 607777568 /nfs/dbraw/zinc/77/75/68/607777568.db2.gz DNMWHZHSRNWEJI-UHFFFAOYSA-N -2 3 369.366 0.862 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc2ncccc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450266 607777569 /nfs/dbraw/zinc/77/75/69/607777569.db2.gz DNMWHZHSRNWEJI-UHFFFAOYSA-N -2 3 369.366 0.862 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826409330 607985631 /nfs/dbraw/zinc/98/56/31/607985631.db2.gz SDCNHPFFDHQWMT-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826409330 607985632 /nfs/dbraw/zinc/98/56/32/607985632.db2.gz SDCNHPFFDHQWMT-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C([O-])CCCCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826461218 608010843 /nfs/dbraw/zinc/01/08/43/608010843.db2.gz LPQJHQASYNGSJN-UHFFFAOYSA-N -2 3 357.367 0.929 20 0 FCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826461304 608011552 /nfs/dbraw/zinc/01/15/52/608011552.db2.gz OVZPFNFNFXXJDR-CQSZACIVSA-N -2 3 373.394 0.841 20 0 FCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826461304 608011553 /nfs/dbraw/zinc/01/15/53/608011553.db2.gz OVZPFNFNFXXJDR-CQSZACIVSA-N -2 3 373.394 0.841 20 0 FCADHL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000825565727 608306544 /nfs/dbraw/zinc/30/65/44/608306544.db2.gz XXVAGYVQQUUJIM-UHFFFAOYSA-N -2 3 363.359 0.567 20 0 FCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c(F)c1 ZINC000824000041 608306718 /nfs/dbraw/zinc/30/67/18/608306718.db2.gz RSNVFJBQJCSGJM-UHFFFAOYSA-N -2 3 366.338 0.488 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825066791 608473334 /nfs/dbraw/zinc/47/33/34/608473334.db2.gz FCDYSMFSVNKSFO-MRVPVSSYSA-N -2 3 357.367 0.880 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825066791 608473335 /nfs/dbraw/zinc/47/33/35/608473335.db2.gz FCDYSMFSVNKSFO-MRVPVSSYSA-N -2 3 357.367 0.880 20 0 FCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825492405 608473344 /nfs/dbraw/zinc/47/33/44/608473344.db2.gz FNBLVWAGYIGZBX-UHFFFAOYSA-N -2 3 365.371 0.015 20 0 FCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825492405 608473345 /nfs/dbraw/zinc/47/33/45/608473345.db2.gz FNBLVWAGYIGZBX-UHFFFAOYSA-N -2 3 365.371 0.015 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825068055 608473526 /nfs/dbraw/zinc/47/35/26/608473526.db2.gz OXBBQZJREWSPTH-SNVBAGLBSA-N -2 3 353.404 0.882 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825068055 608473528 /nfs/dbraw/zinc/47/35/28/608473528.db2.gz OXBBQZJREWSPTH-SNVBAGLBSA-N -2 3 353.404 0.882 20 0 FCADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826408554 609162003 /nfs/dbraw/zinc/16/20/03/609162003.db2.gz LJJHXLMLAGOSSB-ZDUSSCGKSA-N -2 3 365.415 0.424 20 0 FCADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826408554 609162004 /nfs/dbraw/zinc/16/20/04/609162004.db2.gz LJJHXLMLAGOSSB-ZDUSSCGKSA-N -2 3 365.415 0.424 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000826329893 609256748 /nfs/dbraw/zinc/25/67/48/609256748.db2.gz WSVVYVQULQEMPK-UHFFFAOYSA-N -2 3 373.398 0.533 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000826329893 609256750 /nfs/dbraw/zinc/25/67/50/609256750.db2.gz WSVVYVQULQEMPK-UHFFFAOYSA-N -2 3 373.398 0.533 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)n1 ZINC000826357551 609455358 /nfs/dbraw/zinc/45/53/58/609455358.db2.gz JJRLVHOCGZZNRB-UHFFFAOYSA-N -2 3 374.308 0.815 20 0 FCADHL O=S(=O)([N-]c1ncn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493548 609460709 /nfs/dbraw/zinc/46/07/09/609460709.db2.gz QGHKRJPLPPRBIC-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL Cc1nnc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000826335539 609587708 /nfs/dbraw/zinc/58/77/08/609587708.db2.gz RAWSSASJLUSRIA-UHFFFAOYSA-N -2 3 373.370 0.783 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][N-]C(=O)c1ccccc1F ZINC000047417819 663332315 /nfs/dbraw/zinc/33/23/15/663332315.db2.gz MUKJVTZIUWUSMH-UHFFFAOYSA-N -2 3 370.362 0.657 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)Cc2ccccc2OC)o1 ZINC000055355365 666540428 /nfs/dbraw/zinc/54/04/28/666540428.db2.gz SWAFUHAYJPQNQZ-UHFFFAOYSA-N -2 3 367.383 0.200 20 0 FCADHL CO[N-]C(=O)C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000921688338 667257927 /nfs/dbraw/zinc/25/79/27/667257927.db2.gz UKPMMEAHUWNGNQ-UHFFFAOYSA-N -2 3 358.601 0.453 20 0 FCADHL CO[N-]C(=O)C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000921687488 667251792 /nfs/dbraw/zinc/25/17/92/667251792.db2.gz FNIXRHHPZOEGDH-UHFFFAOYSA-N -2 3 371.184 0.553 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)cc1F ZINC000772758900 668326687 /nfs/dbraw/zinc/32/66/87/668326687.db2.gz GOLUMRCQJYKVFP-UHFFFAOYSA-N -2 3 362.404 0.968 20 0 FCADHL CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898077 668681098 /nfs/dbraw/zinc/68/10/98/668681098.db2.gz UUHRRMJNJIZGGI-SSDOTTSWSA-N -2 3 370.449 0.754 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H](CC(=O)OC(C)(C)C)C(=O)[O-])nc1Cl ZINC000787932272 668815646 /nfs/dbraw/zinc/81/56/46/668815646.db2.gz NIFIWOPNWKXYKO-SSDOTTSWSA-N -2 3 367.811 0.537 20 0 FCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC)c1F ZINC000788698519 668838812 /nfs/dbraw/zinc/83/88/12/668838812.db2.gz DQXKBERFRFGBME-SSDOTTSWSA-N -2 3 367.326 0.519 20 0 FCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC)c1F ZINC000788698561 668838834 /nfs/dbraw/zinc/83/88/34/668838834.db2.gz DQXKBERFRFGBME-ZETCQYMHSA-N -2 3 367.326 0.519 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)nc1Cl ZINC000821247379 669170926 /nfs/dbraw/zinc/17/09/26/669170926.db2.gz GVCYREVVFADDLV-IONNQARKSA-N -2 3 353.828 0.602 20 0 FCADHL CCn1nc(C)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1C ZINC000821568101 669203841 /nfs/dbraw/zinc/20/38/41/669203841.db2.gz HBOCRACCEUAZJC-UHFFFAOYSA-N -2 3 354.421 0.957 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824867958 669421867 /nfs/dbraw/zinc/42/18/67/669421867.db2.gz RPESUJZMPOPQPE-ZWNOBZJWSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824867958 669421870 /nfs/dbraw/zinc/42/18/70/669421870.db2.gz RPESUJZMPOPQPE-ZWNOBZJWSA-N -2 3 365.415 0.628 20 0 FCADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000825668565 669464341 /nfs/dbraw/zinc/46/43/41/669464341.db2.gz GTBVYRCVJMNOCM-UHFFFAOYSA-N -2 3 362.371 0.946 20 0 FCADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cnn([C@H]2CCOC2)c1 ZINC000826492969 669495793 /nfs/dbraw/zinc/49/57/93/669495793.db2.gz NNDDRBQUZPXUHN-JTQLQIEISA-N -2 3 361.387 0.825 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]OCc1ccc(F)cc1 ZINC000811042865 669725802 /nfs/dbraw/zinc/72/58/02/669725802.db2.gz RYSAZLIVUJEQKO-UHFFFAOYSA-N -2 3 357.363 0.957 20 0 FCADHL COC(=O)CCCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000811558084 669759469 /nfs/dbraw/zinc/75/94/69/669759469.db2.gz HZNVBFMUQAPMRT-UHFFFAOYSA-N -2 3 370.836 0.681 20 0 FCADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000833721382 669937376 /nfs/dbraw/zinc/93/73/76/669937376.db2.gz AUTRSJUEOZVXNZ-CQSZACIVSA-N -2 3 363.363 0.770 20 0 FCADHL CCO[N-]C(=O)CNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000844517445 670926740 /nfs/dbraw/zinc/92/67/40/670926740.db2.gz SIGQWGSPFYZBPH-UHFFFAOYSA-N -2 3 374.419 0.646 20 0 FCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844783495 670942364 /nfs/dbraw/zinc/94/23/64/670942364.db2.gz ATNLIHXVOAESNI-QMMMGPOBSA-N -2 3 354.743 0.559 20 0 FCADHL Cn1cc(C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])cn1 ZINC000844785016 670942785 /nfs/dbraw/zinc/94/27/85/670942785.db2.gz DVSKAJASEHXDLF-SNVBAGLBSA-N -2 3 362.770 0.582 20 0 FCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000846003680 671065379 /nfs/dbraw/zinc/06/53/79/671065379.db2.gz JXESXWAMMXSFAQ-UHFFFAOYSA-N -2 3 367.786 0.784 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC[C@H]1C(=O)[O-] ZINC000861717502 671984494 /nfs/dbraw/zinc/98/44/94/671984494.db2.gz FDSXDQRKNBMYIS-RNFRBKRXSA-N -2 3 363.296 0.009 20 0 FCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-])c1 ZINC000863406974 672121899 /nfs/dbraw/zinc/12/18/99/672121899.db2.gz BXXBTUULKZKEOU-SNVBAGLBSA-N -2 3 361.347 0.631 20 0 FCADHL CC(=O)CCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000800399425 675670397 /nfs/dbraw/zinc/67/03/97/675670397.db2.gz LOKFUJSYIGYKHW-UHFFFAOYSA-N -2 3 366.392 0.371 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088904390 1196831982 /nfs/dbraw/zinc/83/19/82/1196831982.db2.gz KUQTTWXESVRDGN-KCJUWKMLSA-N -2 3 359.390 0.276 20 0 FCADHL O=C(NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1ncccc1[O-] ZINC001094400848 1206221351 /nfs/dbraw/zinc/22/13/51/1206221351.db2.gz WSDRILAACWRNIG-SJKOYZFVSA-N -2 3 358.402 0.786 20 0 FCADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C(N)=O)c1 ZINC001185604193 1206483116 /nfs/dbraw/zinc/48/31/16/1206483116.db2.gz FXNMDLYDDQPPSU-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(N)=O)c1 ZINC001185604193 1206483117 /nfs/dbraw/zinc/48/31/17/1206483117.db2.gz FXNMDLYDDQPPSU-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL COC(=O)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC)cc2)[n-]1 ZINC000796343670 1213432806 /nfs/dbraw/zinc/43/28/06/1213432806.db2.gz GTAGCTZPKOTCAK-UHFFFAOYSA-N -2 3 360.322 0.923 20 0 FCADHL O=C(c1ncccc1[O-])N1C[C@@H]2CCC[C@]2(CNCc2n[nH]c(=O)[n-]2)C1 ZINC001099420535 1219988487 /nfs/dbraw/zinc/98/84/87/1219988487.db2.gz MZHACMIMMNLIMZ-GTNSWQLSSA-N -2 3 358.402 0.643 20 0 FCADHL Cc1oc2ncn(C)c(=O)c2c1C(=O)N(C)CCc1nc([O-])c(C)c(=O)[n-]1 ZINC001156859888 1223063156 /nfs/dbraw/zinc/06/31/56/1223063156.db2.gz UTUYRLZLDOAQTD-UHFFFAOYSA-N -2 3 373.369 0.659 20 0 FCADHL COc1cnc([C@H]2CCCN2C(=O)CNC(=O)c2ncccc2[O-])[n-]c1=O ZINC001158517689 1223101258 /nfs/dbraw/zinc/10/12/58/1223101258.db2.gz YFGOZMDHUNMNMS-SNVBAGLBSA-N -2 3 373.369 0.385 20 0 FCADHL COc1cnc([C@@H]2CCCN2C(=O)CNC(=O)c2ncccc2[O-])[n-]c1=O ZINC001158517688 1223101432 /nfs/dbraw/zinc/10/14/32/1223101432.db2.gz YFGOZMDHUNMNMS-JTQLQIEISA-N -2 3 373.369 0.385 20 0 FCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])c1n[nH]c(=O)[n-]c1=O ZINC001004573498 1253361968 /nfs/dbraw/zinc/36/19/68/1253361968.db2.gz WYUQHEKENZIXDT-IEBDPFPHSA-N -2 3 371.353 0.164 20 0 FCADHL C[C@@H]1CCN(c2cc(-c3nnn[n-]3)cnn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315276 1278116833 /nfs/dbraw/zinc/11/68/33/1278116833.db2.gz JQDRADUQORXPDX-APPZFPTMSA-N -2 3 356.312 0.550 20 0 FCADHL C[C@@H]1CCN(c2cc(-c3nn[n-]n3)cnn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315276 1278116838 /nfs/dbraw/zinc/11/68/38/1278116838.db2.gz JQDRADUQORXPDX-APPZFPTMSA-N -2 3 356.312 0.550 20 0 FCADHL CN(Cc1nc(=O)c2sccc2[n-]1)c1nnc(CCc2nnn[n-]2)n1C ZINC001343476341 1269919841 /nfs/dbraw/zinc/91/98/41/1269919841.db2.gz ILGZQXXITDXPFV-UHFFFAOYSA-N -2 3 372.418 0.460 20 0 FCADHL CN(Cc1nc(=O)c2sccc2[n-]1)c1nnc(CCc2nn[n-]n2)n1C ZINC001343476341 1269919848 /nfs/dbraw/zinc/91/98/48/1269919848.db2.gz ILGZQXXITDXPFV-UHFFFAOYSA-N -2 3 372.418 0.460 20 0 FCADHL CC(C)[C@H](CNC(=O)c1ncccc1[O-])Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574060269 1271046665 /nfs/dbraw/zinc/04/66/65/1271046665.db2.gz AIGYISNWWQHVDM-JTQLQIEISA-N -2 3 369.389 0.046 20 0 FCADHL CC(C)[C@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574060615 1271048822 /nfs/dbraw/zinc/04/88/22/1271048822.db2.gz DQNZBEXOIGWANX-JTQLQIEISA-N -2 3 369.389 0.624 20 0 FCADHL CC(C)[C@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574060615 1271048826 /nfs/dbraw/zinc/04/88/26/1271048826.db2.gz DQNZBEXOIGWANX-JTQLQIEISA-N -2 3 369.389 0.624 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574649958 1271447336 /nfs/dbraw/zinc/44/73/36/1271447336.db2.gz AUAUPZLFSOUKMX-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574649958 1271447343 /nfs/dbraw/zinc/44/73/43/1271447343.db2.gz AUAUPZLFSOUKMX-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1cncc(-c2nnn[n-]2)n1 ZINC001574650492 1271449470 /nfs/dbraw/zinc/44/94/70/1271449470.db2.gz IRYSZNRXEAPWDB-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1cncc(-c2nn[n-]n2)n1 ZINC001574650492 1271449475 /nfs/dbraw/zinc/44/94/75/1271449475.db2.gz IRYSZNRXEAPWDB-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1ncccc1-c1nnn[n-]1 ZINC001574650183 1271449605 /nfs/dbraw/zinc/44/96/05/1271449605.db2.gz FYQAAPNIIKTSKY-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1ncccc1-c1nn[n-]n1 ZINC001574650183 1271449608 /nfs/dbraw/zinc/44/96/08/1271449608.db2.gz FYQAAPNIIKTSKY-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nnn[n-]1 ZINC001574651400 1271451156 /nfs/dbraw/zinc/45/11/56/1271451156.db2.gz YGVBBZACIDVKEH-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nn[n-]n1 ZINC001574651400 1271451161 /nfs/dbraw/zinc/45/11/61/1271451161.db2.gz YGVBBZACIDVKEH-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](CCNc1ccc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574662196 1271462000 /nfs/dbraw/zinc/46/20/00/1271462000.db2.gz ZJIOOHXVVWYEIG-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL C[C@@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1[O-] ZINC001574812255 1271554742 /nfs/dbraw/zinc/55/47/42/1271554742.db2.gz FRZFCAMBNRJCMT-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574812255 1271554748 /nfs/dbraw/zinc/55/47/48/1271554748.db2.gz FRZFCAMBNRJCMT-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001575355090 1271982675 /nfs/dbraw/zinc/98/26/75/1271982675.db2.gz DLPZKUGBUUJHOQ-DTWKUNHWSA-N -2 3 371.357 0.953 20 0 FCADHL C[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CN1C(=O)c1ccccc1[O-] ZINC001576047979 1272775735 /nfs/dbraw/zinc/77/57/35/1272775735.db2.gz SLHCUSQKNQTPRW-QWRGUYRKSA-N -2 3 366.385 0.499 20 0 FCADHL CN(CCCN(C)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ncccc1[O-] ZINC001579112986 1276778829 /nfs/dbraw/zinc/77/88/29/1276778829.db2.gz XBNKUMOIHIIOKU-UHFFFAOYSA-N -2 3 368.401 0.961 20 0 FCADHL CN(CCCN(C)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ncccc1[O-] ZINC001579112986 1276778838 /nfs/dbraw/zinc/77/88/38/1276778838.db2.gz XBNKUMOIHIIOKU-UHFFFAOYSA-N -2 3 368.401 0.961 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1cncc(-c2nnn[n-]2)c1 ZINC001579488557 1277399302 /nfs/dbraw/zinc/39/93/02/1277399302.db2.gz KNMGJDAKHXCGBR-UHFFFAOYSA-N -2 3 364.343 0.120 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1cncc(-c2nn[n-]n2)c1 ZINC001579488557 1277399312 /nfs/dbraw/zinc/39/93/12/1277399312.db2.gz KNMGJDAKHXCGBR-UHFFFAOYSA-N -2 3 364.343 0.120 20 0 FCADHL CC(C)C[C@H](NC(=O)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)C(=O)[O-] ZINC001603307657 1287350636 /nfs/dbraw/zinc/35/06/36/1287350636.db2.gz GWLMUVOVSBIXAW-LBPRGKRZSA-N -2 3 372.385 0.371 20 0 FCADHL CC(C)C[C@H](NC(=O)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)C(=O)[O-] ZINC001603307657 1287350641 /nfs/dbraw/zinc/35/06/41/1287350641.db2.gz GWLMUVOVSBIXAW-LBPRGKRZSA-N -2 3 372.385 0.371 20 0 FCADHL CC(C)N(C)S(=O)(=O)N(CC(=O)[O-])Cc1cccc(-c2nn[n-]n2)c1 ZINC001603318994 1287355041 /nfs/dbraw/zinc/35/50/41/1287355041.db2.gz IYKWQALLCGWPJU-UHFFFAOYSA-N -2 3 368.419 0.338 20 0 FCADHL CCOCc1nnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC001609241750 1289015009 /nfs/dbraw/zinc/01/50/09/1289015009.db2.gz RZZPZXWWNGQGSR-UHFFFAOYSA-N -2 3 351.348 0.587 20 0 FCADHL CCOCc1nnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC001609241750 1289015014 /nfs/dbraw/zinc/01/50/14/1289015014.db2.gz RZZPZXWWNGQGSR-UHFFFAOYSA-N -2 3 351.348 0.587 20 0 FCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609241008 1289015126 /nfs/dbraw/zinc/01/51/26/1289015126.db2.gz SYMSOLSMMBRXGR-JTQLQIEISA-N -2 3 369.403 0.113 20 0 FCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609241008 1289015119 /nfs/dbraw/zinc/01/51/19/1289015119.db2.gz SYMSOLSMMBRXGR-JTQLQIEISA-N -2 3 369.403 0.113 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)c1[O-] ZINC001581391567 1279821630 /nfs/dbraw/zinc/82/16/30/1279821630.db2.gz UIIJFPHWSYVSMH-SSDOTTSWSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581392065 1279823669 /nfs/dbraw/zinc/82/36/69/1279823669.db2.gz UWEGWQGJFKVVGK-MRVPVSSYSA-N -2 3 357.378 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581392065 1279823679 /nfs/dbraw/zinc/82/36/79/1279823679.db2.gz UWEGWQGJFKVVGK-MRVPVSSYSA-N -2 3 357.378 0.619 20 0 FCADHL CC(C)(C)OC(=O)N[C@H]1C[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001603488142 1287389084 /nfs/dbraw/zinc/38/90/84/1287389084.db2.gz MDRRWKCFDOHHAD-KYZUINATSA-N -2 3 374.419 0.690 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603647973 1287456787 /nfs/dbraw/zinc/45/67/87/1287456787.db2.gz BCFMJIWIVURDNW-DTWKUNHWSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603647973 1287456792 /nfs/dbraw/zinc/45/67/92/1287456792.db2.gz BCFMJIWIVURDNW-DTWKUNHWSA-N -2 3 355.362 0.376 20 0 FCADHL O=C(NCC1CC(Nc2ccnc(-c3nnn[n-]3)n2)C1)c1ccccc1[O-] ZINC001582423448 1281488307 /nfs/dbraw/zinc/48/83/07/1281488307.db2.gz GQNPNDWVYRBESJ-UHFFFAOYSA-N -2 3 366.385 0.405 20 0 FCADHL O=C(NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001582423772 1281490532 /nfs/dbraw/zinc/49/05/32/1281490532.db2.gz RUWMEGULNFFODK-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001582423772 1281490537 /nfs/dbraw/zinc/49/05/37/1281490537.db2.gz RUWMEGULNFFODK-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001603844630 1287515616 /nfs/dbraw/zinc/51/56/16/1287515616.db2.gz GWURDWMWNRNLMG-DTWKUNHWSA-N -2 3 369.378 0.737 20 0 FCADHL O=C(N[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1)c1ccccc1[O-] ZINC001582568292 1281754704 /nfs/dbraw/zinc/75/47/04/1281754704.db2.gz DMZGHVOMSMZWMS-LLVKDONJSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582615587 1281812664 /nfs/dbraw/zinc/81/26/64/1281812664.db2.gz ATPNOERBYCCEJA-KYZUINATSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582615587 1281812669 /nfs/dbraw/zinc/81/26/69/1281812669.db2.gz ATPNOERBYCCEJA-KYZUINATSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001582751755 1281976156 /nfs/dbraw/zinc/97/61/56/1281976156.db2.gz VFQULOLDWKRTPV-SNVBAGLBSA-N -2 3 370.348 0.828 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001582751755 1281976159 /nfs/dbraw/zinc/97/61/59/1281976159.db2.gz VFQULOLDWKRTPV-SNVBAGLBSA-N -2 3 370.348 0.828 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001582751754 1281976238 /nfs/dbraw/zinc/97/62/38/1281976238.db2.gz VFQULOLDWKRTPV-JTQLQIEISA-N -2 3 370.348 0.828 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001582751754 1281976240 /nfs/dbraw/zinc/97/62/40/1281976240.db2.gz VFQULOLDWKRTPV-JTQLQIEISA-N -2 3 370.348 0.828 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001603939457 1287539668 /nfs/dbraw/zinc/53/96/68/1287539668.db2.gz UTCSWQSGRXOBDZ-MATHAZKKSA-N -2 3 373.416 0.179 20 0 FCADHL O=S(=O)([N-]C1(c2ncon2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582793461 1282012806 /nfs/dbraw/zinc/01/28/06/1282012806.db2.gz VAQNCNXPECZAEJ-UHFFFAOYSA-N -2 3 369.313 0.496 20 0 FCADHL O=c1cc(CN2CCOC[C@@H]2C2CCC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814520 1282036856 /nfs/dbraw/zinc/03/68/56/1282036856.db2.gz NYHAAWFAALLOLN-CYBMUJFWSA-N -2 3 356.390 0.616 20 0 FCADHL O=c1cc(CN2CCOC[C@H]2CC(F)F)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814658 1282036921 /nfs/dbraw/zinc/03/69/21/1282036921.db2.gz PHOAOZVIXVHZFA-SECBINFHSA-N -2 3 366.332 0.471 20 0 FCADHL O=c1cc(CN2CCOC[C@@H]2C(F)(F)F)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814513 1282037022 /nfs/dbraw/zinc/03/70/22/1282037022.db2.gz NUEUSTQNMSLKPN-SECBINFHSA-N -2 3 370.295 0.378 20 0 FCADHL C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588936617 1282733526 /nfs/dbraw/zinc/73/35/26/1282733526.db2.gz LXXVHJVUEGBGAE-ZETCQYMHSA-N -2 3 358.811 0.739 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001589025173 1282774596 /nfs/dbraw/zinc/77/45/96/1282774596.db2.gz MOLWMBCPXMKFMS-ZETCQYMHSA-N -2 3 371.806 0.861 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001589025173 1282774601 /nfs/dbraw/zinc/77/46/01/1282774601.db2.gz MOLWMBCPXMKFMS-ZETCQYMHSA-N -2 3 371.806 0.861 20 0 FCADHL CC(C)(CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)CC(=O)[O-] ZINC001589287381 1282831799 /nfs/dbraw/zinc/83/17/99/1282831799.db2.gz FTSHSAGJTVXGQJ-UHFFFAOYSA-N -2 3 357.367 0.785 20 0 FCADHL CC(C)(CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)CC(=O)[O-] ZINC001589287381 1282831807 /nfs/dbraw/zinc/83/18/07/1282831807.db2.gz FTSHSAGJTVXGQJ-UHFFFAOYSA-N -2 3 357.367 0.785 20 0 FCADHL CC(C)(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001589288020 1282832114 /nfs/dbraw/zinc/83/21/14/1282832114.db2.gz OEAUXPCGNMGNJW-UHFFFAOYSA-N -3 3 361.330 0.534 20 0 FCADHL CC(C)(NC(=O)c1c[n-]n2c1nccc2=O)c1cccc(-c2nnn[n-]2)c1 ZINC001589322078 1282835757 /nfs/dbraw/zinc/83/57/57/1282835757.db2.gz PEUDQCHDRQUUIB-UHFFFAOYSA-N -2 3 364.369 0.868 20 0 FCADHL CC(C)(NC(=O)c1c[n-]n2c1nccc2=O)c1cccc(-c2nn[n-]n2)c1 ZINC001589322078 1282835766 /nfs/dbraw/zinc/83/57/66/1282835766.db2.gz PEUDQCHDRQUUIB-UHFFFAOYSA-N -2 3 364.369 0.868 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589314616 1282837268 /nfs/dbraw/zinc/83/72/68/1282837268.db2.gz UQZNNTDAZKJKRX-UHFFFAOYSA-N -2 3 358.280 0.968 20 0 FCADHL CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001589468428 1282888389 /nfs/dbraw/zinc/88/83/89/1282888389.db2.gz BAROTQIOECNIOG-NSHDSACASA-N -2 3 359.358 0.946 20 0 FCADHL CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001589468428 1282888395 /nfs/dbraw/zinc/88/83/95/1282888395.db2.gz BAROTQIOECNIOG-NSHDSACASA-N -2 3 359.358 0.946 20 0 FCADHL C[C@H](CCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001589815640 1283046171 /nfs/dbraw/zinc/04/61/71/1283046171.db2.gz GFXNEMBLZXQLQX-SECBINFHSA-N -2 3 371.394 0.926 20 0 FCADHL C[C@H](CCCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589819304 1283057092 /nfs/dbraw/zinc/05/70/92/1283057092.db2.gz WSQVUFOYGWUBNP-SECBINFHSA-N -2 3 371.394 0.926 20 0 FCADHL C[C@H](CCCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589819304 1283057099 /nfs/dbraw/zinc/05/70/99/1283057099.db2.gz WSQVUFOYGWUBNP-SECBINFHSA-N -2 3 371.394 0.926 20 0 FCADHL CCOC(=O)[C@H](C)[C@@H](C)NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001604362284 1287615713 /nfs/dbraw/zinc/61/57/13/1287615713.db2.gz RIQMRKFXYZMZGM-RKDXNWHRSA-N -2 3 360.378 0.292 20 0 FCADHL C[C@@H](CCNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1)CC(=O)[O-] ZINC001589830572 1283070732 /nfs/dbraw/zinc/07/07/32/1283070732.db2.gz LZSNKXWCPNHBHY-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL C[C@@H](CCNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)CC(=O)[O-] ZINC001589830572 1283070739 /nfs/dbraw/zinc/07/07/39/1283070739.db2.gz LZSNKXWCPNHBHY-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL C[C@H](CN(C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001589844322 1283077573 /nfs/dbraw/zinc/07/75/73/1283077573.db2.gz FMBZCEFKKGGRFH-MRVPVSSYSA-N -2 3 357.367 0.488 20 0 FCADHL C[C@@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589918875 1283130441 /nfs/dbraw/zinc/13/04/41/1283130441.db2.gz PSPBOEKBXBLAGA-MNOVXSKESA-N -2 3 360.374 0.128 20 0 FCADHL C[C@@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589918875 1283130443 /nfs/dbraw/zinc/13/04/43/1283130443.db2.gz PSPBOEKBXBLAGA-MNOVXSKESA-N -2 3 360.374 0.128 20 0 FCADHL C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589997151 1283164901 /nfs/dbraw/zinc/16/49/01/1283164901.db2.gz RGDCBKNAPUBBBL-IINYFYTJSA-N -2 3 374.401 0.333 20 0 FCADHL C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589997151 1283164905 /nfs/dbraw/zinc/16/49/05/1283164905.db2.gz RGDCBKNAPUBBBL-IINYFYTJSA-N -2 3 374.401 0.333 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CCOC1 ZINC001590069402 1283199824 /nfs/dbraw/zinc/19/98/24/1283199824.db2.gz YFDSZKHRYQEHPS-CQSZACIVSA-N -2 3 369.378 0.378 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCOC1 ZINC001590069402 1283199827 /nfs/dbraw/zinc/19/98/27/1283199827.db2.gz YFDSZKHRYQEHPS-CQSZACIVSA-N -2 3 369.378 0.378 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001590071503 1283200820 /nfs/dbraw/zinc/20/08/20/1283200820.db2.gz OWKCCOITGBXINC-CYBMUJFWSA-N -2 3 355.351 0.491 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001590071503 1283200823 /nfs/dbraw/zinc/20/08/23/1283200823.db2.gz OWKCCOITGBXINC-CYBMUJFWSA-N -2 3 355.351 0.491 20 0 FCADHL CC1(C)C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CO1 ZINC001590083511 1283208445 /nfs/dbraw/zinc/20/84/45/1283208445.db2.gz HKYKRHRRVVLLIW-QMMMGPOBSA-N -2 3 359.358 0.991 20 0 FCADHL CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)c(F)c1)C2 ZINC001590158405 1283254815 /nfs/dbraw/zinc/25/48/15/1283254815.db2.gz XURVDQOJRDGXOY-UHFFFAOYSA-N -2 3 367.362 0.634 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001590166435 1283260057 /nfs/dbraw/zinc/26/00/57/1283260057.db2.gz ZPMVVNFBTBJVGN-CBAPKCEASA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001590166435 1283260064 /nfs/dbraw/zinc/26/00/64/1283260064.db2.gz ZPMVVNFBTBJVGN-CBAPKCEASA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590180559 1283284819 /nfs/dbraw/zinc/28/48/19/1283284819.db2.gz HPQAGCMDOYAORY-ZANVPECISA-N -2 3 363.399 0.677 20 0 FCADHL C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590180559 1283284825 /nfs/dbraw/zinc/28/48/25/1283284825.db2.gz HPQAGCMDOYAORY-ZANVPECISA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)O1 ZINC001590183693 1283290591 /nfs/dbraw/zinc/29/05/91/1283290591.db2.gz PUPUBEOFGFEYQN-GIPNMCIBSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)O1 ZINC001590183693 1283290598 /nfs/dbraw/zinc/29/05/98/1283290598.db2.gz PUPUBEOFGFEYQN-GIPNMCIBSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001590185220 1283291844 /nfs/dbraw/zinc/29/18/44/1283291844.db2.gz NAUBEAQCVDOCJX-PSASIEDQSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001590185220 1283291854 /nfs/dbraw/zinc/29/18/54/1283291854.db2.gz NAUBEAQCVDOCJX-PSASIEDQSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC001590185217 1283293172 /nfs/dbraw/zinc/29/31/72/1283293172.db2.gz NARDQKGPUFQWNA-JGVFFNPUSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC001590185217 1283293179 /nfs/dbraw/zinc/29/31/79/1283293179.db2.gz NARDQKGPUFQWNA-JGVFFNPUSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590225905 1283351973 /nfs/dbraw/zinc/35/19/73/1283351973.db2.gz GVCXBJCMJXYJGP-MWLCHTKSSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590225905 1283351985 /nfs/dbraw/zinc/35/19/85/1283351985.db2.gz GVCXBJCMJXYJGP-MWLCHTKSSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1C(=O)[O-] ZINC001590261281 1283385988 /nfs/dbraw/zinc/38/59/88/1283385988.db2.gz LYGNIFZLVQXQHE-JOYOIKCWSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1C(=O)[O-] ZINC001590261281 1283385994 /nfs/dbraw/zinc/38/59/94/1283385994.db2.gz LYGNIFZLVQXQHE-JOYOIKCWSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3c(-c4nnn[n-]4)cnn3C)cn21 ZINC001590266007 1283391484 /nfs/dbraw/zinc/39/14/84/1283391484.db2.gz IGVBBSADDRXSTE-MRVPVSSYSA-N -2 3 363.407 0.495 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC001590272429 1283400119 /nfs/dbraw/zinc/40/01/19/1283400119.db2.gz PBJKEDNVJUWCJW-GXFFZTMASA-N -2 3 365.415 0.739 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] ZINC001590272429 1283400123 /nfs/dbraw/zinc/40/01/23/1283400123.db2.gz PBJKEDNVJUWCJW-GXFFZTMASA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C(=O)[O-] ZINC001590272998 1283401276 /nfs/dbraw/zinc/40/12/76/1283401276.db2.gz UIEGWAKSJLWHFD-SKDRFNHKSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@@H](C(=O)[O-])C1 ZINC001590276441 1283403196 /nfs/dbraw/zinc/40/31/96/1283403196.db2.gz OAWNAOKLIMCEEN-LDYMZIIASA-N -2 3 352.376 0.136 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@@H](C(=O)[O-])C1 ZINC001590276441 1283403199 /nfs/dbraw/zinc/40/31/99/1283403199.db2.gz OAWNAOKLIMCEEN-LDYMZIIASA-N -2 3 352.376 0.136 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C(=O)[O-])C1 ZINC001590275790 1283403212 /nfs/dbraw/zinc/40/32/12/1283403212.db2.gz GJMMGGFSXMMFAX-JGVFFNPUSA-N -2 3 357.417 0.802 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001590276746 1283404778 /nfs/dbraw/zinc/40/47/78/1283404778.db2.gz QZCXRQIOWXZKIS-HQJQHLMTSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1C(=O)[O-] ZINC001590282013 1283408936 /nfs/dbraw/zinc/40/89/36/1283408936.db2.gz IJAAONISZXVGFR-GWCFXTLKSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1C(=O)[O-] ZINC001590282013 1283408942 /nfs/dbraw/zinc/40/89/42/1283408942.db2.gz IJAAONISZXVGFR-GWCFXTLKSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC[C@H]1C(=O)[O-] ZINC001590282021 1283409955 /nfs/dbraw/zinc/40/99/55/1283409955.db2.gz IJAAONISZXVGFR-ZWNOBZJWSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC[C@H]1C(=O)[O-] ZINC001590282021 1283409960 /nfs/dbraw/zinc/40/99/60/1283409960.db2.gz IJAAONISZXVGFR-ZWNOBZJWSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001590309180 1283451646 /nfs/dbraw/zinc/45/16/46/1283451646.db2.gz KRYKJROONXOJRH-PTRXPTGYSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001590309180 1283451655 /nfs/dbraw/zinc/45/16/55/1283451655.db2.gz KRYKJROONXOJRH-PTRXPTGYSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001590309179 1283453586 /nfs/dbraw/zinc/45/35/86/1283453586.db2.gz KRYKJROONXOJRH-LNLATYFQSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001590309179 1283453592 /nfs/dbraw/zinc/45/35/92/1283453592.db2.gz KRYKJROONXOJRH-LNLATYFQSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC[C@@H]1C(=O)[O-] ZINC001590312055 1283458059 /nfs/dbraw/zinc/45/80/59/1283458059.db2.gz GYBOQKSOVYNIQS-SCZZXKLOSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590335381 1283479829 /nfs/dbraw/zinc/47/98/29/1283479829.db2.gz OCGJTMPWLKBESG-BSTOTGJRSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590335381 1283479834 /nfs/dbraw/zinc/47/98/34/1283479834.db2.gz OCGJTMPWLKBESG-BSTOTGJRSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590335543 1283480831 /nfs/dbraw/zinc/48/08/31/1283480831.db2.gz HZOOIMPQMYLTOX-IONNQARKSA-N -2 3 355.401 0.403 20 0 FCADHL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590335543 1283480835 /nfs/dbraw/zinc/48/08/35/1283480835.db2.gz HZOOIMPQMYLTOX-IONNQARKSA-N -2 3 355.401 0.403 20 0 FCADHL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001590370640 1283507177 /nfs/dbraw/zinc/50/71/77/1283507177.db2.gz IYVDOYJFQVDCJG-VIFPVBQESA-N -2 3 361.330 0.629 20 0 FCADHL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590370640 1283507187 /nfs/dbraw/zinc/50/71/87/1283507187.db2.gz IYVDOYJFQVDCJG-VIFPVBQESA-N -2 3 361.330 0.629 20 0 FCADHL CC[C@@H](CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001590446307 1283542959 /nfs/dbraw/zinc/54/29/59/1283542959.db2.gz JRJWUOHXTRFNIN-QMMMGPOBSA-N -2 3 357.367 0.536 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590499751 1283568025 /nfs/dbraw/zinc/56/80/25/1283568025.db2.gz MJOWMEYAFJKAIG-NWDGAFQWSA-N -2 3 369.378 0.880 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590499751 1283568037 /nfs/dbraw/zinc/56/80/37/1283568037.db2.gz MJOWMEYAFJKAIG-NWDGAFQWSA-N -2 3 369.378 0.880 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590506318 1283575361 /nfs/dbraw/zinc/57/53/61/1283575361.db2.gz ZOOMRVNEXGSEIF-ONGXEEELSA-N -2 3 352.376 0.278 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590506318 1283575367 /nfs/dbraw/zinc/57/53/67/1283575367.db2.gz ZOOMRVNEXGSEIF-ONGXEEELSA-N -2 3 352.376 0.278 20 0 FCADHL CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590561198 1283608195 /nfs/dbraw/zinc/60/81/95/1283608195.db2.gz USGXKFOQFCTTRR-GFCCVEGCSA-N -2 3 353.404 0.628 20 0 FCADHL CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590561198 1283608209 /nfs/dbraw/zinc/60/82/09/1283608209.db2.gz USGXKFOQFCTTRR-GFCCVEGCSA-N -2 3 353.404 0.628 20 0 FCADHL CCCC1N=NC(=S)N1CC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590660047 1283709611 /nfs/dbraw/zinc/70/96/11/1283709611.db2.gz HGNUMIYJCIFEHU-UHFFFAOYSA-N -2 3 360.403 0.810 20 0 FCADHL CCCC1N=NC(=S)N1CC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590660047 1283709623 /nfs/dbraw/zinc/70/96/23/1283709623.db2.gz HGNUMIYJCIFEHU-UHFFFAOYSA-N -2 3 360.403 0.810 20 0 FCADHL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590790325 1283846803 /nfs/dbraw/zinc/84/68/03/1283846803.db2.gz KVCBOUYYQYECBV-RYUDHWBXSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590790325 1283846814 /nfs/dbraw/zinc/84/68/14/1283846814.db2.gz KVCBOUYYQYECBV-RYUDHWBXSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[N-]C(=O)CNC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001590819714 1283901151 /nfs/dbraw/zinc/90/11/51/1283901151.db2.gz YJTYBPROOWCKIU-UHFFFAOYSA-N -2 3 357.330 0.319 20 0 FCADHL CCO[N-]C(=O)CNC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001590819714 1283901158 /nfs/dbraw/zinc/90/11/58/1283901158.db2.gz YJTYBPROOWCKIU-UHFFFAOYSA-N -2 3 357.330 0.319 20 0 FCADHL CCO[N-]C(=O)CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001590818473 1283901369 /nfs/dbraw/zinc/90/13/69/1283901369.db2.gz BDSFGZLWWWMTCX-UHFFFAOYSA-N -2 3 359.173 0.971 20 0 FCADHL CCO[N-]C(=O)CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001590818473 1283901375 /nfs/dbraw/zinc/90/13/75/1283901375.db2.gz BDSFGZLWWWMTCX-UHFFFAOYSA-N -2 3 359.173 0.971 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001590846927 1283922158 /nfs/dbraw/zinc/92/21/58/1283922158.db2.gz WGJPHGBXRBHWNE-SNVBAGLBSA-N -2 3 368.394 0.298 20 0 FCADHL CCc1cncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001590900954 1283955260 /nfs/dbraw/zinc/95/52/60/1283955260.db2.gz JYPWAVXURICDJN-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CCc1cncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001590900954 1283955268 /nfs/dbraw/zinc/95/52/68/1283955268.db2.gz JYPWAVXURICDJN-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CCc1ncncc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590926531 1283976531 /nfs/dbraw/zinc/97/65/31/1283976531.db2.gz KGTXKYPXUIFPJA-UHFFFAOYSA-N -2 3 373.398 0.479 20 0 FCADHL CCc1ncncc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590926531 1283976535 /nfs/dbraw/zinc/97/65/35/1283976535.db2.gz KGTXKYPXUIFPJA-UHFFFAOYSA-N -2 3 373.398 0.479 20 0 FCADHL CN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001591035328 1284095359 /nfs/dbraw/zinc/09/53/59/1284095359.db2.gz JEZWESOMOPLIAQ-UHFFFAOYSA-N -2 3 364.366 0.663 20 0 FCADHL CN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001591035328 1284095369 /nfs/dbraw/zinc/09/53/69/1284095369.db2.gz JEZWESOMOPLIAQ-UHFFFAOYSA-N -2 3 364.366 0.663 20 0 FCADHL CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c[n-]n2c1nccc2=O ZINC001591135017 1284207349 /nfs/dbraw/zinc/20/73/49/1284207349.db2.gz ANEYZRXSQLIUPY-UHFFFAOYSA-N -2 3 350.342 0.475 20 0 FCADHL CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[n-]n2c1nccc2=O ZINC001591135017 1284207355 /nfs/dbraw/zinc/20/73/55/1284207355.db2.gz ANEYZRXSQLIUPY-UHFFFAOYSA-N -2 3 350.342 0.475 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)o1 ZINC001591298739 1284453029 /nfs/dbraw/zinc/45/30/29/1284453029.db2.gz XUBIYCAPTXCOHV-UHFFFAOYSA-N -2 3 353.320 0.079 20 0 FCADHL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1F ZINC001591305605 1284454803 /nfs/dbraw/zinc/45/48/03/1284454803.db2.gz JTEDCEUQJHZDDY-UHFFFAOYSA-N -2 3 367.322 0.316 20 0 FCADHL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1C ZINC001591305151 1284455003 /nfs/dbraw/zinc/45/50/03/1284455003.db2.gz BKDDZGOXRLMOKA-UHFFFAOYSA-N -2 3 363.359 0.486 20 0 FCADHL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC001591305151 1284455008 /nfs/dbraw/zinc/45/50/08/1284455008.db2.gz BKDDZGOXRLMOKA-UHFFFAOYSA-N -2 3 363.359 0.486 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591391279 1284529330 /nfs/dbraw/zinc/52/93/30/1284529330.db2.gz ZSFPZHRUVJOKHB-UHFFFAOYSA-N -2 3 351.388 0.034 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591391279 1284529338 /nfs/dbraw/zinc/52/93/38/1284529338.db2.gz ZSFPZHRUVJOKHB-UHFFFAOYSA-N -2 3 351.388 0.034 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)C1(CF)CCC1 ZINC001591505879 1284690798 /nfs/dbraw/zinc/69/07/98/1284690798.db2.gz LSUAPMGRMCBAKB-UHFFFAOYSA-N -2 3 369.378 0.820 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)C1(CF)CCC1 ZINC001591505879 1284690812 /nfs/dbraw/zinc/69/08/12/1284690812.db2.gz LSUAPMGRMCBAKB-UHFFFAOYSA-N -2 3 369.378 0.820 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1noc(C2CC2)n1 ZINC001591505673 1284690841 /nfs/dbraw/zinc/69/08/41/1284690841.db2.gz BPXDGQGFYKSJAJ-UHFFFAOYSA-N -2 3 363.359 0.937 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1noc(C2CC2)n1 ZINC001591505673 1284690852 /nfs/dbraw/zinc/69/08/52/1284690852.db2.gz BPXDGQGFYKSJAJ-UHFFFAOYSA-N -2 3 363.359 0.937 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)ccc1C ZINC001591515945 1284707154 /nfs/dbraw/zinc/70/71/54/1284707154.db2.gz UVKVKLYUIVAJHX-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)ccc1C ZINC001591515945 1284707160 /nfs/dbraw/zinc/70/71/60/1284707160.db2.gz UVKVKLYUIVAJHX-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1nnn[n-]1 ZINC001591540725 1284723111 /nfs/dbraw/zinc/72/31/11/1284723111.db2.gz IZZBEOVAJKZWQI-UHFFFAOYSA-N -2 3 371.329 0.986 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC)C(=O)[O-] ZINC001609249544 1289018004 /nfs/dbraw/zinc/01/80/04/1289018004.db2.gz ZEILRRBYFAGNKL-UFBFGSQYSA-N -2 3 369.403 0.653 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC)C(=O)[O-] ZINC001609249544 1289018007 /nfs/dbraw/zinc/01/80/07/1289018007.db2.gz ZEILRRBYFAGNKL-UFBFGSQYSA-N -2 3 369.403 0.653 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591752517 1284878793 /nfs/dbraw/zinc/87/87/93/1284878793.db2.gz NSFKYHQKKPESIG-MWLCHTKSSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591752517 1284878799 /nfs/dbraw/zinc/87/87/99/1284878799.db2.gz NSFKYHQKKPESIG-MWLCHTKSSA-N -2 3 351.388 0.741 20 0 FCADHL Cc1c(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)cccc1-c1nnn[n-]1 ZINC001591824594 1284930022 /nfs/dbraw/zinc/93/00/22/1284930022.db2.gz JLPGDIOSUATFJE-LBPRGKRZSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1c(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)cccc1-c1nn[n-]n1 ZINC001591824594 1284930029 /nfs/dbraw/zinc/93/00/29/1284930029.db2.gz JLPGDIOSUATFJE-LBPRGKRZSA-N -2 3 372.385 0.731 20 0 FCADHL CN(CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001604711061 1287748319 /nfs/dbraw/zinc/74/83/19/1287748319.db2.gz RDRGWFRTMLRZEC-UHFFFAOYSA-N -2 3 373.398 0.203 20 0 FCADHL CN(CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001604711061 1287748324 /nfs/dbraw/zinc/74/83/24/1287748324.db2.gz RDRGWFRTMLRZEC-UHFFFAOYSA-N -2 3 373.398 0.203 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC001591863361 1284954787 /nfs/dbraw/zinc/95/47/87/1284954787.db2.gz TUMUKRMRJYUTJD-NSHDSACASA-N -2 3 365.415 0.802 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC001591863361 1284954795 /nfs/dbraw/zinc/95/47/95/1284954795.db2.gz TUMUKRMRJYUTJD-NSHDSACASA-N -2 3 365.415 0.802 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1 ZINC001591870198 1284957677 /nfs/dbraw/zinc/95/76/77/1284957677.db2.gz HNIQRBUABJZWNM-VIFPVBQESA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1 ZINC001591870198 1284957684 /nfs/dbraw/zinc/95/76/84/1284957684.db2.gz HNIQRBUABJZWNM-VIFPVBQESA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCC[C@@H](C)C(=O)[O-] ZINC001591871818 1284959688 /nfs/dbraw/zinc/95/96/88/1284959688.db2.gz AQLUZCYLLOKNII-SECBINFHSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCC[C@@H](C)C(=O)[O-] ZINC001591871818 1284959693 /nfs/dbraw/zinc/95/96/93/1284959693.db2.gz AQLUZCYLLOKNII-SECBINFHSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001591989848 1285046119 /nfs/dbraw/zinc/04/61/19/1285046119.db2.gz ZWNQIYCHKFZIII-CQSZACIVSA-N -2 3 369.378 0.942 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592065198 1285104759 /nfs/dbraw/zinc/10/47/59/1285104759.db2.gz ITCQWOOOQOEPSK-LBPRGKRZSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592065198 1285104764 /nfs/dbraw/zinc/10/47/64/1285104764.db2.gz ITCQWOOOQOEPSK-LBPRGKRZSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2ncc(C(N)=O)s2)ccc1-c1nnn[n-]1 ZINC001592067456 1285108377 /nfs/dbraw/zinc/10/83/77/1285108377.db2.gz GHRSOQZXBDEYTF-UHFFFAOYSA-N -2 3 365.400 0.531 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2ncc(C(N)=O)s2)ccc1-c1nn[n-]n1 ZINC001592067456 1285108384 /nfs/dbraw/zinc/10/83/84/1285108384.db2.gz GHRSOQZXBDEYTF-UHFFFAOYSA-N -2 3 365.400 0.531 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC001592109158 1285143454 /nfs/dbraw/zinc/14/34/54/1285143454.db2.gz CYOKWZGZHOVLHR-GBIKHYSHSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC001592109158 1285143460 /nfs/dbraw/zinc/14/34/60/1285143460.db2.gz CYOKWZGZHOVLHR-GBIKHYSHSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C[C@H]1CCOC1 ZINC001592109202 1285143525 /nfs/dbraw/zinc/14/35/25/1285143525.db2.gz FUHDEZMYVTUANM-TZNOJPMFSA-N -2 3 363.399 0.573 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C[C@H]1CCOC1 ZINC001592109202 1285143532 /nfs/dbraw/zinc/14/35/32/1285143532.db2.gz FUHDEZMYVTUANM-TZNOJPMFSA-N -2 3 363.399 0.573 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC001592214274 1285185403 /nfs/dbraw/zinc/18/54/03/1285185403.db2.gz PAKDVTSOFOZNNO-WPRPVWTQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC001592214274 1285185409 /nfs/dbraw/zinc/18/54/09/1285185409.db2.gz PAKDVTSOFOZNNO-WPRPVWTQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@H](C)[C@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001592239500 1285196168 /nfs/dbraw/zinc/19/61/68/1285196168.db2.gz RBASMEJZQXPINV-SKDRFNHKSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@H](C)[C@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001592239500 1285196179 /nfs/dbraw/zinc/19/61/79/1285196179.db2.gz RBASMEJZQXPINV-SKDRFNHKSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC001592331899 1285240668 /nfs/dbraw/zinc/24/06/68/1285240668.db2.gz QGNUWRVTPPVECK-UHFFFAOYSA-N -2 3 363.359 0.470 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)cc1-c1nnn[n-]1 ZINC001592412238 1285324698 /nfs/dbraw/zinc/32/46/98/1285324698.db2.gz FTZYCDZYAFIUHR-UHFFFAOYSA-N -2 3 366.403 0.446 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)cc1-c1nn[n-]n1 ZINC001592412238 1285324705 /nfs/dbraw/zinc/32/47/05/1285324705.db2.gz FTZYCDZYAFIUHR-UHFFFAOYSA-N -2 3 366.403 0.446 20 0 FCADHL Cc1sc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)c(-c2nn[n-]n2)c1C ZINC001592519995 1285446720 /nfs/dbraw/zinc/44/67/20/1285446720.db2.gz NSDOJKYNRKZDLL-MRVPVSSYSA-N -2 3 358.449 0.763 20 0 FCADHL Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC001592588438 1285517113 /nfs/dbraw/zinc/51/71/13/1285517113.db2.gz BVGVLGVJJDMOKZ-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC001592588438 1285517124 /nfs/dbraw/zinc/51/71/24/1285517124.db2.gz BVGVLGVJJDMOKZ-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL Cn1nc(C(=O)[O-])cc1CN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001592594107 1285526180 /nfs/dbraw/zinc/52/61/80/1285526180.db2.gz YNBVGXBZQLUPSB-UHFFFAOYSA-N -2 3 369.389 0.016 20 0 FCADHL Cn1nc(C(=O)[O-])cc1CN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001592594107 1285526187 /nfs/dbraw/zinc/52/61/87/1285526187.db2.gz YNBVGXBZQLUPSB-UHFFFAOYSA-N -2 3 369.389 0.016 20 0 FCADHL Cn1[n-]nnc1=NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001592613002 1285559069 /nfs/dbraw/zinc/55/90/69/1285559069.db2.gz WMFWZDJMCRSFKX-UHFFFAOYSA-N -2 3 364.329 0.252 20 0 FCADHL Cn1[n-]nnc1=NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001592613002 1285559072 /nfs/dbraw/zinc/55/90/72/1285559072.db2.gz WMFWZDJMCRSFKX-UHFFFAOYSA-N -2 3 364.329 0.252 20 0 FCADHL NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001592736792 1285649513 /nfs/dbraw/zinc/64/95/13/1285649513.db2.gz GNAOMPWPKLSQIA-UHFFFAOYSA-N -2 3 372.366 0.084 20 0 FCADHL NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001592736792 1285649524 /nfs/dbraw/zinc/64/95/24/1285649524.db2.gz GNAOMPWPKLSQIA-UHFFFAOYSA-N -2 3 372.366 0.084 20 0 FCADHL NS(=O)(=O)c1cccc(NCCCCCC(=O)[O-])c1-c1nnn[n-]1 ZINC001592748521 1285668854 /nfs/dbraw/zinc/66/88/54/1285668854.db2.gz NCKTWYHVHJXYMB-UHFFFAOYSA-N -2 3 354.392 0.571 20 0 FCADHL NS(=O)(=O)c1cccc(NCCCCCC(=O)[O-])c1-c1nn[n-]n1 ZINC001592748521 1285668865 /nfs/dbraw/zinc/66/88/65/1285668865.db2.gz NCKTWYHVHJXYMB-UHFFFAOYSA-N -2 3 354.392 0.571 20 0 FCADHL O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592787535 1285713800 /nfs/dbraw/zinc/71/38/00/1285713800.db2.gz ZCGDJUKGLRLOGP-UHFFFAOYSA-N -2 3 360.399 0.813 20 0 FCADHL O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592787535 1285713806 /nfs/dbraw/zinc/71/38/06/1285713806.db2.gz ZCGDJUKGLRLOGP-UHFFFAOYSA-N -2 3 360.399 0.813 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)c1ncccc1F ZINC001592797425 1285720758 /nfs/dbraw/zinc/72/07/58/1285720758.db2.gz HLRDHXHKMOKWBC-BQYQJAHWSA-N -2 3 374.357 0.919 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)c1ncccc1F ZINC001592797425 1285720764 /nfs/dbraw/zinc/72/07/64/1285720764.db2.gz HLRDHXHKMOKWBC-BQYQJAHWSA-N -2 3 374.357 0.919 20 0 FCADHL O=C(CC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592831302 1285745265 /nfs/dbraw/zinc/74/52/65/1285745265.db2.gz NCVIAPMRIDFAGK-NSHDSACASA-N -2 3 351.388 0.631 20 0 FCADHL O=C(CC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592831302 1285745270 /nfs/dbraw/zinc/74/52/70/1285745270.db2.gz NCVIAPMRIDFAGK-NSHDSACASA-N -2 3 351.388 0.631 20 0 FCADHL O=C(CCn1cccn1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592860450 1285763908 /nfs/dbraw/zinc/76/39/08/1285763908.db2.gz HFGMLRUSYKEJSF-UHFFFAOYSA-N -2 3 361.387 0.100 20 0 FCADHL O=C(CCn1cccn1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592860450 1285763911 /nfs/dbraw/zinc/76/39/11/1285763911.db2.gz HFGMLRUSYKEJSF-UHFFFAOYSA-N -2 3 361.387 0.100 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[N-]OCCC1CC1 ZINC001592901176 1285803601 /nfs/dbraw/zinc/80/36/01/1285803601.db2.gz DIXARKUYVDUOSO-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[N-]OCCC1CC1 ZINC001592901176 1285803604 /nfs/dbraw/zinc/80/36/04/1285803604.db2.gz DIXARKUYVDUOSO-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CNC(=O)Cc1cccc(F)c1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592922532 1285813103 /nfs/dbraw/zinc/81/31/03/1285813103.db2.gz YCWOXIXHLDLGJC-UHFFFAOYSA-N -2 3 370.344 0.775 20 0 FCADHL O=C(CNC(=O)Cc1cccc(F)c1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592922532 1285813109 /nfs/dbraw/zinc/81/31/09/1285813109.db2.gz YCWOXIXHLDLGJC-UHFFFAOYSA-N -2 3 370.344 0.775 20 0 FCADHL O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1ccc([O-])c(Cl)c1 ZINC001592935628 1285822431 /nfs/dbraw/zinc/82/24/31/1285822431.db2.gz NSXSPKKBVLRPEM-UHFFFAOYSA-N -2 3 363.721 0.127 20 0 FCADHL O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1ccc([O-])c(Cl)c1 ZINC001592935628 1285822435 /nfs/dbraw/zinc/82/24/35/1285822435.db2.gz NSXSPKKBVLRPEM-UHFFFAOYSA-N -2 3 363.721 0.127 20 0 FCADHL CN(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c(C(N)=O)c1 ZINC001609270702 1289036387 /nfs/dbraw/zinc/03/63/87/1289036387.db2.gz RLPCXTWDZONROO-UHFFFAOYSA-N -2 3 367.369 0.990 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593168928 1286025809 /nfs/dbraw/zinc/02/58/09/1286025809.db2.gz GMOSVRKRCICYJI-QMMMGPOBSA-N -2 3 350.310 0.029 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001593168928 1286025812 /nfs/dbraw/zinc/02/58/12/1286025812.db2.gz GMOSVRKRCICYJI-QMMMGPOBSA-N -2 3 350.310 0.029 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1ncccc1[O-] ZINC001593192023 1286034049 /nfs/dbraw/zinc/03/40/49/1286034049.db2.gz UWQWLUFFNOIALQ-MGCOHNPYSA-N -2 3 370.348 0.874 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1ncccc1[O-] ZINC001593192023 1286034056 /nfs/dbraw/zinc/03/40/56/1286034056.db2.gz UWQWLUFFNOIALQ-MGCOHNPYSA-N -2 3 370.348 0.874 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001593274542 1286057953 /nfs/dbraw/zinc/05/79/53/1286057953.db2.gz NKOWDSKEJARRPJ-NSHDSACASA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001593274542 1286057959 /nfs/dbraw/zinc/05/79/59/1286057959.db2.gz NKOWDSKEJARRPJ-NSHDSACASA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593275034 1286058775 /nfs/dbraw/zinc/05/87/75/1286058775.db2.gz CNEXIOZAOXDMOJ-QMMMGPOBSA-N -2 3 369.384 0.495 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)CCO1 ZINC001593275740 1286059001 /nfs/dbraw/zinc/05/90/01/1286059001.db2.gz FCJKFLKUKVICOC-AWEZNQCLSA-N -2 3 371.397 0.991 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)CCO1 ZINC001593275740 1286059006 /nfs/dbraw/zinc/05/90/06/1286059006.db2.gz FCJKFLKUKVICOC-AWEZNQCLSA-N -2 3 371.397 0.991 20 0 FCADHL O=C([O-])[C@H](CCF)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593276586 1286059320 /nfs/dbraw/zinc/05/93/20/1286059320.db2.gz PFCFRTRDIUTUEF-JTQLQIEISA-N -2 3 361.330 0.238 20 0 FCADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC001593276504 1286059557 /nfs/dbraw/zinc/05/95/57/1286059557.db2.gz LYDDJMTUQQZSAO-UHFFFAOYSA-N -3 3 373.341 0.678 20 0 FCADHL O=C([O-])[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC001593276501 1286059564 /nfs/dbraw/zinc/05/95/64/1286059564.db2.gz LMEHWUFZHWOPLC-NSHDSACASA-N -2 3 362.296 0.983 20 0 FCADHL O=C([O-])[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC001593276501 1286059568 /nfs/dbraw/zinc/05/95/68/1286059568.db2.gz LMEHWUFZHWOPLC-NSHDSACASA-N -2 3 362.296 0.983 20 0 FCADHL O=C([O-])[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cc1Br ZINC001593276551 1286059765 /nfs/dbraw/zinc/05/97/65/1286059765.db2.gz MXOCMSHUMPGRMJ-SNVBAGLBSA-N -2 3 354.164 0.919 20 0 FCADHL O=C([O-])CCC12CC(C1)CN2S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593277681 1286060011 /nfs/dbraw/zinc/06/00/11/1286060011.db2.gz DXDCBRRXZINJRH-UHFFFAOYSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])CCC12CC(C1)CN2S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593277681 1286060016 /nfs/dbraw/zinc/06/00/16/1286060016.db2.gz DXDCBRRXZINJRH-UHFFFAOYSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])CCCCNC(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593278131 1286060837 /nfs/dbraw/zinc/06/08/37/1286060837.db2.gz SCNHFKQNRKOSKC-UHFFFAOYSA-N -2 3 360.374 0.894 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001593279193 1286062195 /nfs/dbraw/zinc/06/21/95/1286062195.db2.gz WLWPPIAURRHBJO-GFCCVEGCSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001593279456 1286063282 /nfs/dbraw/zinc/06/32/82/1286063282.db2.gz LXFBPLQCRZSIDH-UHFFFAOYSA-N -3 3 360.355 0.690 20 0 FCADHL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001593279456 1286063284 /nfs/dbraw/zinc/06/32/84/1286063284.db2.gz LXFBPLQCRZSIDH-UHFFFAOYSA-N -3 3 360.355 0.690 20 0 FCADHL O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@H]1C(F)F ZINC001593279752 1286063342 /nfs/dbraw/zinc/06/33/42/1286063342.db2.gz WNHFTCBTQBFWBQ-RKDXNWHRSA-N -2 3 373.341 0.453 20 0 FCADHL O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@H]1C(F)F ZINC001593279752 1286063343 /nfs/dbraw/zinc/06/33/43/1286063343.db2.gz WNHFTCBTQBFWBQ-RKDXNWHRSA-N -2 3 373.341 0.453 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001593372771 1286095906 /nfs/dbraw/zinc/09/59/06/1286095906.db2.gz CGSYULRYGNMRFT-LLVKDONJSA-N -2 3 353.342 0.656 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001593372771 1286095909 /nfs/dbraw/zinc/09/59/09/1286095909.db2.gz CGSYULRYGNMRFT-LLVKDONJSA-N -2 3 353.342 0.656 20 0 FCADHL O=S(=O)([N-][C@H](CCO)C(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001593430450 1286151729 /nfs/dbraw/zinc/15/17/29/1286151729.db2.gz SLKZPDAMKYQQBW-MRVPVSSYSA-N -2 3 369.300 0.597 20 0 FCADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609292139 1289060382 /nfs/dbraw/zinc/06/03/82/1289060382.db2.gz UDYUYWGDZHAYMB-UHFFFAOYSA-N -2 3 373.416 0.187 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cc(C(=O)[O-])nn3C)CC2)n1 ZINC001600064440 1286435087 /nfs/dbraw/zinc/43/50/87/1286435087.db2.gz NGMWWRQCRDMFHU-UHFFFAOYSA-N -2 3 360.374 0.321 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2)n1 ZINC001600064812 1286435389 /nfs/dbraw/zinc/43/53/89/1286435389.db2.gz GHFOSMCCCNVPRH-TUAOUCFPSA-N -2 3 350.375 0.208 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3cccc(C(=O)[O-])n3)C2)n1 ZINC001600064879 1286435437 /nfs/dbraw/zinc/43/54/37/1286435437.db2.gz IFFVSPLRVSJKLG-LLVKDONJSA-N -2 3 357.370 0.983 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NS(=O)(=O)C3(C(=O)[O-])CCC3)C2)n1 ZINC001600065067 1286435616 /nfs/dbraw/zinc/43/56/16/1286435616.db2.gz PASRTKBSPKKZOO-NSHDSACASA-N -2 3 370.431 0.386 20 0 FCADHL Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H](N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001600117455 1286443676 /nfs/dbraw/zinc/44/36/76/1286443676.db2.gz QXEPIFXGALBEBF-OICBVUGWSA-N -2 3 358.350 0.588 20 0 FCADHL Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)n(C)n1 ZINC001600239632 1286457830 /nfs/dbraw/zinc/45/78/30/1286457830.db2.gz AMAAMMBBXXBHNS-LLVKDONJSA-N -2 3 368.415 0.967 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CO)Cc2cnn(C)c2)oc1C(=O)[O-] ZINC001600298854 1286473045 /nfs/dbraw/zinc/47/30/45/1286473045.db2.gz FMSGIWCVJBOPMK-NSHDSACASA-N -2 3 357.388 0.149 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCCOC2)c1C(=O)[O-] ZINC001600672311 1286522727 /nfs/dbraw/zinc/52/27/27/1286522727.db2.gz CGRLQTPRKRDVRA-AWEZNQCLSA-N -2 3 361.420 0.262 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)c1C(=O)[O-] ZINC001600673135 1286524076 /nfs/dbraw/zinc/52/40/76/1286524076.db2.gz OKQZREJWZLTPNI-UHFFFAOYSA-N -2 3 351.384 0.225 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C2CC2)[C@]2(CO)CCCO2)c1C(=O)[O-] ZINC001600673453 1286524996 /nfs/dbraw/zinc/52/49/96/1286524996.db2.gz QTUPNPUEIVFCTN-BXUZGUMPSA-N -2 3 359.404 0.015 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCCO3)c1C(=O)[O-] ZINC001600673307 1286525314 /nfs/dbraw/zinc/52/53/14/1286525314.db2.gz FFNMJEMPRVVAOW-UHFFFAOYSA-N -2 3 367.383 0.709 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001600810069 1286550532 /nfs/dbraw/zinc/55/05/32/1286550532.db2.gz TVUVFKGKURARHN-ZDUSSCGKSA-N -2 3 368.367 0.939 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCOCC2)cc1C(=O)[O-] ZINC001600855413 1286557670 /nfs/dbraw/zinc/55/76/70/1286557670.db2.gz HSXPCFOBYLNTHA-NSHDSACASA-N -3 3 361.372 0.834 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CCCCCS(C)(=O)=O)cc1C(=O)[O-] ZINC001600857308 1286559273 /nfs/dbraw/zinc/55/92/73/1286559273.db2.gz GWECWXCXXWAUPH-UHFFFAOYSA-N -2 3 353.418 0.779 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c(Br)n1 ZINC001600968865 1286584855 /nfs/dbraw/zinc/58/48/55/1286584855.db2.gz HDRRWKMXLKUBBV-UHFFFAOYSA-N -2 3 354.226 0.962 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])c(Br)n1 ZINC001600968868 1286584929 /nfs/dbraw/zinc/58/49/29/1286584929.db2.gz HFINGBOAAVNWJZ-QMMMGPOBSA-N -2 3 366.237 0.962 20 0 FCADHL Cn1ccnc1N1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001600986455 1286589482 /nfs/dbraw/zinc/58/94/82/1286589482.db2.gz GQBOBSTUXPJHKU-UHFFFAOYSA-N -2 3 354.388 0.659 20 0 FCADHL CO[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609314167 1289085495 /nfs/dbraw/zinc/08/54/95/1289085495.db2.gz DECILFWYRGADPY-NWDGAFQWSA-N -2 3 365.415 0.877 20 0 FCADHL CO[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609314167 1289085501 /nfs/dbraw/zinc/08/55/01/1289085501.db2.gz DECILFWYRGADPY-NWDGAFQWSA-N -2 3 365.415 0.877 20 0 FCADHL COCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001609322158 1289093462 /nfs/dbraw/zinc/09/34/62/1289093462.db2.gz FANXMIWIIZWRPO-UHFFFAOYSA-N -2 3 355.376 0.107 20 0 FCADHL COCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001609322158 1289093468 /nfs/dbraw/zinc/09/34/68/1289093468.db2.gz FANXMIWIIZWRPO-UHFFFAOYSA-N -2 3 355.376 0.107 20 0 FCADHL O=C([O-])[C@@H](CNC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccccc1 ZINC001601455514 1286755001 /nfs/dbraw/zinc/75/50/01/1286755001.db2.gz NEZNTUHRRBCQFA-NSHDSACASA-N -2 3 358.358 0.687 20 0 FCADHL O=C([O-])C1(CS(=O)(=O)N2CCc3c(=O)[n-]cnc3C2)CCCCC1 ZINC001601712022 1286812386 /nfs/dbraw/zinc/81/23/86/1286812386.db2.gz DPWINVOWTOEEOL-UHFFFAOYSA-N -2 3 355.416 0.905 20 0 FCADHL O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001601871367 1286860375 /nfs/dbraw/zinc/86/03/75/1286860375.db2.gz KOLDLOIIKHTMQW-CQSZACIVSA-N -2 3 366.337 0.922 20 0 FCADHL O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001601871367 1286860388 /nfs/dbraw/zinc/86/03/88/1286860388.db2.gz KOLDLOIIKHTMQW-CQSZACIVSA-N -2 3 366.337 0.922 20 0 FCADHL O=C([O-])CC1(CNC(=O)CNC(=O)c2ccc([O-])cc2)CCOCC1 ZINC001601916810 1286870233 /nfs/dbraw/zinc/87/02/33/1286870233.db2.gz XDFQNYXXXXIILA-UHFFFAOYSA-N -2 3 350.371 0.510 20 0 FCADHL O=C([O-])CCCS(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001601998736 1286893923 /nfs/dbraw/zinc/89/39/23/1286893923.db2.gz CNOPEAUVWYCQFY-UHFFFAOYSA-N -2 3 356.400 0.345 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC1(C(=O)[O-])CC1 ZINC001609339441 1289110241 /nfs/dbraw/zinc/11/02/41/1289110241.db2.gz SHBIJGAKTPUSAU-UHFFFAOYSA-N -2 3 353.360 0.018 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC1(C(=O)[O-])CC1 ZINC001609339441 1289110243 /nfs/dbraw/zinc/11/02/43/1289110243.db2.gz SHBIJGAKTPUSAU-UHFFFAOYSA-N -2 3 353.360 0.018 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](CO)[C@@H]2CCOC2)c1F ZINC001602225591 1286972458 /nfs/dbraw/zinc/97/24/58/1286972458.db2.gz DPGYXKOBSYZMQR-BDAKNGLRSA-N -2 3 365.354 0.586 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001602488109 1287010186 /nfs/dbraw/zinc/01/01/86/1287010186.db2.gz CMSGLCJGDVSSPV-OLZOCXBDSA-N -2 3 358.416 0.900 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC[C@@H](O)COCc1ccccc1 ZINC001602506936 1287018923 /nfs/dbraw/zinc/01/89/23/1287018923.db2.gz UGQKEGUXGOUVGH-GFCCVEGCSA-N -2 3 369.399 0.354 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@]1(CO)CCc2ccccc21 ZINC001602583753 1287030289 /nfs/dbraw/zinc/03/02/89/1287030289.db2.gz XBLDERZGZBUFBX-OAHLLOKOSA-N -2 3 368.436 0.996 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCn1c(=O)[nH]c2ccccc21 ZINC001602583048 1287031187 /nfs/dbraw/zinc/03/11/87/1287031187.db2.gz LYDUFMYDMQUBQZ-UHFFFAOYSA-N -2 3 368.396 0.875 20 0 FCADHL O=C([O-])C(F)=C(Nc1ccc2cn[nH]c2c1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602656000 1287052992 /nfs/dbraw/zinc/05/29/92/1287052992.db2.gz JQBAYPWGQZLMCM-SECBINFHSA-N -3 3 363.330 0.183 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001609389268 1289132907 /nfs/dbraw/zinc/13/29/07/1289132907.db2.gz YLMMSEXOURXAKC-PRHODGIISA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001609389268 1289132911 /nfs/dbraw/zinc/13/29/11/1289132911.db2.gz YLMMSEXOURXAKC-PRHODGIISA-N -2 3 351.388 0.659 20 0 FCADHL COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001604961953 1287820962 /nfs/dbraw/zinc/82/09/62/1287820962.db2.gz BBPIBTMSNNPJQX-ZKCHVHJHSA-N -2 3 373.341 0.375 20 0 FCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC001604971998 1287825437 /nfs/dbraw/zinc/82/54/37/1287825437.db2.gz FEBTXWNAEFCSGV-UHFFFAOYSA-N -2 3 367.322 0.316 20 0 FCADHL CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001605008035 1287836180 /nfs/dbraw/zinc/83/61/80/1287836180.db2.gz SCEYENCFFRMOAR-LLVKDONJSA-N -2 3 353.404 0.733 20 0 FCADHL CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001605008035 1287836184 /nfs/dbraw/zinc/83/61/84/1287836184.db2.gz SCEYENCFFRMOAR-LLVKDONJSA-N -2 3 353.404 0.733 20 0 FCADHL CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001605030882 1287841923 /nfs/dbraw/zinc/84/19/23/1287841923.db2.gz QEVNUNWZOYMXHY-NEPJUHHUSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001605030882 1287841930 /nfs/dbraw/zinc/84/19/30/1287841930.db2.gz QEVNUNWZOYMXHY-NEPJUHHUSA-N -2 3 366.403 0.272 20 0 FCADHL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001609403815 1289139284 /nfs/dbraw/zinc/13/92/84/1289139284.db2.gz XNGRGACTSTUYKC-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001609403815 1289139289 /nfs/dbraw/zinc/13/92/89/1289139289.db2.gz XNGRGACTSTUYKC-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL CS[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001605367692 1287943335 /nfs/dbraw/zinc/94/33/35/1287943335.db2.gz JVOUDGZMGPRBQR-MRVPVSSYSA-N -2 3 356.433 0.598 20 0 FCADHL CS[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001605367692 1287943341 /nfs/dbraw/zinc/94/33/41/1287943341.db2.gz JVOUDGZMGPRBQR-MRVPVSSYSA-N -2 3 356.433 0.598 20 0 FCADHL CSc1nc(C)c(CCC(=O)n2ncc(-c3nnn[n-]3)c2N)c(=O)[n-]1 ZINC001605392829 1287949250 /nfs/dbraw/zinc/94/92/50/1287949250.db2.gz QMYPXIAPSNAGCV-UHFFFAOYSA-N -2 3 361.391 0.444 20 0 FCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001605425161 1287955489 /nfs/dbraw/zinc/95/54/89/1287955489.db2.gz BDONIIBSZBFFMR-PSLIRLAXSA-N -2 3 362.415 0.688 20 0 FCADHL Cc1c(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cccc1-c1nnn[n-]1 ZINC001605494624 1287981215 /nfs/dbraw/zinc/98/12/15/1287981215.db2.gz VAXOXFOZCGITAA-UHFFFAOYSA-N -2 3 360.374 0.731 20 0 FCADHL Cc1c(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cccc1-c1nn[n-]n1 ZINC001605494624 1287981225 /nfs/dbraw/zinc/98/12/25/1287981225.db2.gz VAXOXFOZCGITAA-UHFFFAOYSA-N -2 3 360.374 0.731 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001605751714 1288072226 /nfs/dbraw/zinc/07/22/26/1288072226.db2.gz MMHGNLSANGCSLD-LBPRGKRZSA-N -2 3 369.403 0.332 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001605751714 1288072235 /nfs/dbraw/zinc/07/22/35/1288072235.db2.gz MMHGNLSANGCSLD-LBPRGKRZSA-N -2 3 369.403 0.332 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001605802107 1288089724 /nfs/dbraw/zinc/08/97/24/1288089724.db2.gz ULQOUWXKYBZFMT-BXKDBHETSA-N -2 3 351.388 0.659 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cnc3ccccc3c2)n1 ZINC001609477649 1289172267 /nfs/dbraw/zinc/17/22/67/1289172267.db2.gz RMEMLHNDIIQRDW-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001606460009 1288328934 /nfs/dbraw/zinc/32/89/34/1288328934.db2.gz LTWFIPQTOHPSAH-ZJUUUORDSA-N -2 3 367.420 0.290 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001609478665 1289171973 /nfs/dbraw/zinc/17/19/73/1289171973.db2.gz MUPHXXZIKVBPBM-QPJJXVBHSA-N -2 3 373.398 0.260 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001609478665 1289171977 /nfs/dbraw/zinc/17/19/77/1289171977.db2.gz MUPHXXZIKVBPBM-QPJJXVBHSA-N -2 3 373.398 0.260 20 0 FCADHL COC(=O)c1ccc(C[N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)o1 ZINC001606588672 1288397270 /nfs/dbraw/zinc/39/72/70/1288397270.db2.gz BUADRBRUBFDBNS-UHFFFAOYSA-N -2 3 354.340 0.946 20 0 FCADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@](C)(CO)C(=O)[O-] ZINC001606644266 1288422163 /nfs/dbraw/zinc/42/21/63/1288422163.db2.gz YOWDLPNIECTKRF-AWEZNQCLSA-N -2 3 373.408 0.802 20 0 FCADHL COC(=O)c1sc2[n-]c(CN3C[C@@H](O)C[C@H]3C(=O)[O-])nc(=O)c2c1C ZINC001606643938 1288422211 /nfs/dbraw/zinc/42/22/11/1288422211.db2.gz RLUCUFWBDDZPMQ-YUMQZZPRSA-N -2 3 367.383 0.099 20 0 FCADHL O=C([N-]S(=O)(=O)CC[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC001606863688 1288542023 /nfs/dbraw/zinc/54/20/23/1288542023.db2.gz MJQKVTFTOPTWHM-GFCCVEGCSA-N -2 3 351.388 0.495 20 0 FCADHL O=C([N-]S(=O)(=O)CC[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC001606863688 1288542029 /nfs/dbraw/zinc/54/20/29/1288542029.db2.gz MJQKVTFTOPTWHM-GFCCVEGCSA-N -2 3 351.388 0.495 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606958722 1288574398 /nfs/dbraw/zinc/57/43/98/1288574398.db2.gz FKPMVLUTYYOASW-UHTWSYAYSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606958722 1288574400 /nfs/dbraw/zinc/57/44/00/1288574400.db2.gz FKPMVLUTYYOASW-UHTWSYAYSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606961547 1288576544 /nfs/dbraw/zinc/57/65/44/1288576544.db2.gz UTJARFPUXCRULW-SECBINFHSA-N -2 3 369.378 0.632 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001606961547 1288576545 /nfs/dbraw/zinc/57/65/45/1288576545.db2.gz UTJARFPUXCRULW-SECBINFHSA-N -2 3 369.378 0.632 20 0 FCADHL O=C([O-])[C@]12CCC[C@H]1N(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC001606962426 1288577454 /nfs/dbraw/zinc/57/74/54/1288577454.db2.gz VSVTWIXDSXBBFE-DOMZBBRYSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])[C@]12CCC[C@H]1N(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC001606962426 1288577456 /nfs/dbraw/zinc/57/74/56/1288577456.db2.gz VSVTWIXDSXBBFE-DOMZBBRYSA-N -2 3 363.399 0.885 20 0 FCADHL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccn1 ZINC001607054573 1288625228 /nfs/dbraw/zinc/62/52/28/1288625228.db2.gz GCOUJDSUJUNSNX-UHFFFAOYSA-N -2 3 358.339 0.733 20 0 FCADHL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccn1 ZINC001607054573 1288625230 /nfs/dbraw/zinc/62/52/30/1288625230.db2.gz GCOUJDSUJUNSNX-UHFFFAOYSA-N -2 3 358.339 0.733 20 0 FCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccccc1Cn1ccnc1 ZINC001607068516 1288640871 /nfs/dbraw/zinc/64/08/71/1288640871.db2.gz ARKOHSKXKAYTLK-UHFFFAOYSA-N -2 3 371.386 0.635 20 0 FCADHL O=S(=O)([N-]c1n[nH]cc1-c1nn[n-]n1)c1ccccc1Cn1ccnc1 ZINC001607068516 1288640873 /nfs/dbraw/zinc/64/08/73/1288640873.db2.gz ARKOHSKXKAYTLK-UHFFFAOYSA-N -2 3 371.386 0.635 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2cc(Br)no2)c1C(=O)[O-] ZINC001607938711 1288749443 /nfs/dbraw/zinc/74/94/43/1288749443.db2.gz UYQUCOJLOYOUNG-UHFFFAOYSA-N -2 3 365.165 0.645 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C2CC2)C2(CO)CCOCC2)c1C(=O)[O-] ZINC001607940335 1288750218 /nfs/dbraw/zinc/75/02/18/1288750218.db2.gz OPIKVNLBXDGVHD-LBPRGKRZSA-N -2 3 373.431 0.262 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)O2)c1C(=O)[O-] ZINC001607940059 1288750226 /nfs/dbraw/zinc/75/02/26/1288750226.db2.gz KZYILNJXUIXZRB-SNVBAGLBSA-N -2 3 359.404 0.423 20 0 FCADHL Cc1nc(CS(=O)(=O)[N-]C[C@H](Oc2ccc(F)cc2)C(=O)[O-])no1 ZINC001607960806 1288752162 /nfs/dbraw/zinc/75/21/62/1288752162.db2.gz XSEIJDFHPRUQCW-NSHDSACASA-N -2 3 359.335 0.469 20 0 FCADHL Cn1c(=O)ccc2c1CCC[C@H]2[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001608092255 1288766895 /nfs/dbraw/zinc/76/68/95/1288766895.db2.gz OMGIYJNHWURPGQ-SECBINFHSA-N -2 3 369.424 0.896 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCOCC2)nc1Cl ZINC001608121530 1288774197 /nfs/dbraw/zinc/77/41/97/1288774197.db2.gz JNHWOMORVNPUEX-UHFFFAOYSA-N -2 3 351.812 0.623 20 0 FCADHL Cn1cnnc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001608138830 1288779917 /nfs/dbraw/zinc/77/99/17/1288779917.db2.gz OGVWAEVXDRDJCH-SECBINFHSA-N -2 3 360.779 0.179 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC(=O)NCc2ccccn2)c1 ZINC001608312118 1288817859 /nfs/dbraw/zinc/81/78/59/1288817859.db2.gz SLXRXFGCIHSVFG-UHFFFAOYSA-N -2 3 353.356 0.358 20 0 FCADHL O=C([O-])[C@@H](F)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001608445950 1288841690 /nfs/dbraw/zinc/84/16/90/1288841690.db2.gz RWDYXJNRSVUDBG-LURJTMIESA-N -2 3 373.815 0.402 20 0 FCADHL O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001608723031 1288871036 /nfs/dbraw/zinc/87/10/36/1288871036.db2.gz QJPSKWLOQCRBDN-UHFFFAOYSA-N -2 3 353.342 0.774 20 0 FCADHL O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001608723031 1288871042 /nfs/dbraw/zinc/87/10/42/1288871042.db2.gz QJPSKWLOQCRBDN-UHFFFAOYSA-N -2 3 353.342 0.774 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c(F)cc1Cl ZINC001608859603 1288876509 /nfs/dbraw/zinc/87/65/09/1288876509.db2.gz AVAPNLJNIOGIOB-LBPRGKRZSA-N -3 3 367.738 0.699 20 0 FCADHL CC(C)(CCNC(=O)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)C(=O)[O-] ZINC001609083808 1288908968 /nfs/dbraw/zinc/90/89/68/1288908968.db2.gz REIGFLTWQCUYDJ-UHFFFAOYSA-N -2 3 372.385 0.373 20 0 FCADHL CC(C)(CCNC(=O)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)C(=O)[O-] ZINC001609083808 1288908975 /nfs/dbraw/zinc/90/89/75/1288908975.db2.gz REIGFLTWQCUYDJ-UHFFFAOYSA-N -2 3 372.385 0.373 20 0 FCADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC001609090621 1288914741 /nfs/dbraw/zinc/91/47/41/1288914741.db2.gz ZWLQRWUMJRFNRI-CYBMUJFWSA-N -2 3 373.373 0.435 20 0 FCADHL CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609096421 1288917465 /nfs/dbraw/zinc/91/74/65/1288917465.db2.gz AJKQBHNLVRHPOK-JTQLQIEISA-N -2 3 353.404 0.733 20 0 FCADHL CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609096421 1288917469 /nfs/dbraw/zinc/91/74/69/1288917469.db2.gz AJKQBHNLVRHPOK-JTQLQIEISA-N -2 3 353.404 0.733 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001609104009 1288920154 /nfs/dbraw/zinc/92/01/54/1288920154.db2.gz IOWNJQTZLHUIRR-SNVBAGLBSA-N -2 3 359.795 0.908 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001609104009 1288920159 /nfs/dbraw/zinc/92/01/59/1288920159.db2.gz IOWNJQTZLHUIRR-SNVBAGLBSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609122383 1288932057 /nfs/dbraw/zinc/93/20/57/1288932057.db2.gz GTJXGJLMBGBUNP-VIFPVBQESA-N -2 3 350.342 0.694 20 0 FCADHL C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609122383 1288932060 /nfs/dbraw/zinc/93/20/60/1288932060.db2.gz GTJXGJLMBGBUNP-VIFPVBQESA-N -2 3 350.342 0.694 20 0 FCADHL C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609132921 1288940316 /nfs/dbraw/zinc/94/03/16/1288940316.db2.gz LZCYJQZORXEFDP-SECBINFHSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609132921 1288940321 /nfs/dbraw/zinc/94/03/21/1288940321.db2.gz LZCYJQZORXEFDP-SECBINFHSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609142843 1288945183 /nfs/dbraw/zinc/94/51/83/1288945183.db2.gz OKIKTYKQFJUMJH-FZMZJTMJSA-N -2 3 369.378 0.928 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609142843 1288945184 /nfs/dbraw/zinc/94/51/84/1288945184.db2.gz OKIKTYKQFJUMJH-FZMZJTMJSA-N -2 3 369.378 0.928 20 0 FCADHL CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609144817 1288946284 /nfs/dbraw/zinc/94/62/84/1288946284.db2.gz OLRCTQHXJKASCC-NSHDSACASA-N -2 3 351.388 0.883 20 0 FCADHL CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609144817 1288946290 /nfs/dbraw/zinc/94/62/90/1288946290.db2.gz OLRCTQHXJKASCC-NSHDSACASA-N -2 3 351.388 0.883 20 0 FCADHL CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609144938 1288947218 /nfs/dbraw/zinc/94/72/18/1288947218.db2.gz TUQZXDHLARSSNL-JTQLQIEISA-N -2 3 351.388 0.883 20 0 FCADHL CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609144938 1288947222 /nfs/dbraw/zinc/94/72/22/1288947222.db2.gz TUQZXDHLARSSNL-JTQLQIEISA-N -2 3 351.388 0.883 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609153488 1288953943 /nfs/dbraw/zinc/95/39/43/1288953943.db2.gz VPRHZAOZOJCFKX-XPUUQOCRSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609153488 1288953946 /nfs/dbraw/zinc/95/39/46/1288953946.db2.gz VPRHZAOZOJCFKX-XPUUQOCRSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@@H]1C(=O)[O-] ZINC001609166222 1288959594 /nfs/dbraw/zinc/95/95/94/1288959594.db2.gz LIJSRDWKRDKRBQ-UFBFGSQYSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001609168484 1288961710 /nfs/dbraw/zinc/96/17/10/1288961710.db2.gz CYCXOHKEARGZGL-JOYOIKCWSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001609168484 1288961713 /nfs/dbraw/zinc/96/17/13/1288961713.db2.gz CYCXOHKEARGZGL-JOYOIKCWSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@H](C(=O)[O-])C1 ZINC001609168560 1288962491 /nfs/dbraw/zinc/96/24/91/1288962491.db2.gz GCCSFWFFKTXFKP-KWQFWETISA-N -2 3 369.378 0.880 20 0 FCADHL CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001609180565 1288973746 /nfs/dbraw/zinc/97/37/46/1288973746.db2.gz FIXPNALVANWISS-LLVKDONJSA-N -2 3 371.350 0.107 20 0 FCADHL CCCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001609211940 1288988903 /nfs/dbraw/zinc/98/89/03/1288988903.db2.gz IONRJIMHFGYXEZ-UHFFFAOYSA-N -2 3 357.367 0.632 20 0 FCADHL CCCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001609211940 1288988910 /nfs/dbraw/zinc/98/89/10/1288988910.db2.gz IONRJIMHFGYXEZ-UHFFFAOYSA-N -2 3 357.367 0.632 20 0 FCADHL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001609221743 1288995935 /nfs/dbraw/zinc/99/59/35/1288995935.db2.gz SGAKOAURSUGNER-MRVPVSSYSA-N -2 3 354.392 0.301 20 0 FCADHL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001609221743 1288995939 /nfs/dbraw/zinc/99/59/39/1288995939.db2.gz SGAKOAURSUGNER-MRVPVSSYSA-N -2 3 354.392 0.301 20 0 FCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(-c3nnn[n-]3)cnn2C)o1 ZINC001609235651 1289008699 /nfs/dbraw/zinc/00/86/99/1289008699.db2.gz OLARISGNMPOWMX-UHFFFAOYSA-N -2 3 367.347 0.171 20 0 FCADHL CCOC1CC(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609237642 1289010793 /nfs/dbraw/zinc/01/07/93/1289010793.db2.gz QGXNNTNHHCRHHX-UHFFFAOYSA-N -2 3 365.415 0.877 20 0 FCADHL CCOC1CC(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609237642 1289010801 /nfs/dbraw/zinc/01/08/01/1289010801.db2.gz QGXNNTNHHCRHHX-UHFFFAOYSA-N -2 3 365.415 0.877 20 0 FCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609548802 1289216397 /nfs/dbraw/zinc/21/63/97/1289216397.db2.gz XPLLALUHHBNRPB-UHFFFAOYSA-N -2 3 354.374 0.471 20 0 FCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609548802 1289216403 /nfs/dbraw/zinc/21/64/03/1289216403.db2.gz XPLLALUHHBNRPB-UHFFFAOYSA-N -2 3 354.374 0.471 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001609571923 1289234055 /nfs/dbraw/zinc/23/40/55/1289234055.db2.gz VOUXPOPEIOJBNR-UHFFFAOYSA-N -2 3 369.378 0.632 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609572109 1289235108 /nfs/dbraw/zinc/23/51/08/1289235108.db2.gz ZHAJZEXZCAWTHM-LBPRGKRZSA-N -2 3 372.385 0.196 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609572109 1289235109 /nfs/dbraw/zinc/23/51/09/1289235109.db2.gz ZHAJZEXZCAWTHM-LBPRGKRZSA-N -2 3 372.385 0.196 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC001609572092 1289235156 /nfs/dbraw/zinc/23/51/56/1289235156.db2.gz YPTRTQOYPHUWHM-UHFFFAOYSA-N -2 3 357.417 0.852 20 0 FCADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1nc(C(=O)[O-])cs1 ZINC001609654364 1289273768 /nfs/dbraw/zinc/27/37/68/1289273768.db2.gz RZKZJMYTWICQPI-SECBINFHSA-N -2 3 350.418 0.848 20 0 FCADHL CC(C)(C)[C@@H](O)C[C@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609654305 1289274094 /nfs/dbraw/zinc/27/40/94/1289274094.db2.gz QCTIXTPJBYRRQC-SFYZADRCSA-N -2 3 352.434 0.278 20 0 FCADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])[C@@]12CCCO2 ZINC001610031046 1289352072 /nfs/dbraw/zinc/35/20/72/1289352072.db2.gz LRSUSWNOUDTPIC-RBZYPMLTSA-N -2 3 359.404 0.421 20 0 FCADHL COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001610164189 1289403996 /nfs/dbraw/zinc/40/39/96/1289403996.db2.gz CBYJTGOWNFEANJ-XPTSAGLGSA-N -2 3 359.404 0.817 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001610249603 1289437337 /nfs/dbraw/zinc/43/73/37/1289437337.db2.gz FJCYQNVGGSOVBO-MRVPVSSYSA-N -3 3 355.727 0.555 20 0 FCADHL C[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001610391127 1289478381 /nfs/dbraw/zinc/47/83/81/1289478381.db2.gz OUQNMBZTSBCCSH-RXMQYKEDSA-N -2 3 356.169 0.946 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC001610577098 1289516130 /nfs/dbraw/zinc/51/61/30/1289516130.db2.gz JBHJRGYBTVSKEM-UHFFFAOYSA-N -2 3 372.355 0.913 20 0 FCADHL Cn1cc(S(=O)(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1C(=O)[O-] ZINC001610606871 1289525497 /nfs/dbraw/zinc/52/54/97/1289525497.db2.gz ICJAISHUSMJZPK-UHFFFAOYSA-N -2 3 353.282 0.339 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCN(c3cccnn3)CC2)o1 ZINC001610837731 1289603434 /nfs/dbraw/zinc/60/34/34/1289603434.db2.gz FRXGUVYWLOAGKV-UHFFFAOYSA-N -2 3 352.372 0.715 20 0 FCADHL CN(C)S(=O)(=O)c1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)ccc1F ZINC001647867756 1291080272 /nfs/dbraw/zinc/08/02/72/1291080272.db2.gz BXZYSUDUSJFDES-UHFFFAOYSA-N -2 3 370.362 0.207 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]Cc1nc(Cc2ccccc2)no1 ZINC000738545171 836106493 /nfs/dbraw/zinc/10/64/93/836106493.db2.gz KNUXLPPJBTXJQA-LBPRGKRZSA-N -2 3 366.399 0.544 20 0 FCADHL O=C([O-])c1sc(C(=O)NCCCCP(=O)([O-])[O-])c2c1OCCO2 ZINC001152713695 849723176 /nfs/dbraw/zinc/72/31/76/849723176.db2.gz NZLWNIDMCBPYPR-UHFFFAOYSA-N -3 3 365.300 0.905 20 0 FCADHL COc1ccc(S(=O)(=O)NCCCc2c[n-][nH]c2=O)cc1C(=O)[O-] ZINC001185322743 851351420 /nfs/dbraw/zinc/35/14/20/851351420.db2.gz CRYBAUIRWAVVAY-VIFPVBQESA-N -2 3 355.372 0.184 20 0 FCADHL COC(=O)c1nsnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568683 851363137 /nfs/dbraw/zinc/36/31/37/851363137.db2.gz WMSSODQQCXTNOK-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL COC(=O)c1nsnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568683 851363143 /nfs/dbraw/zinc/36/31/43/851363143.db2.gz WMSSODQQCXTNOK-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL CN(C)c1nc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001186144401 851414507 /nfs/dbraw/zinc/41/45/07/851414507.db2.gz RHBKGAJMCFRDPL-UHFFFAOYSA-N -2 3 356.335 0.886 20 0 FCADHL NS(=O)(=O)c1cc(C(=O)NCc2ncccc2[O-])c([O-])cc1Cl ZINC001191045729 852006256 /nfs/dbraw/zinc/00/62/56/852006256.db2.gz IYQBZYXAKDUDGU-UHFFFAOYSA-N -2 3 357.775 0.724 20 0 FCADHL CCOC(=O)C(NS(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1)=C(C)[O-] ZINC001192660547 852272219 /nfs/dbraw/zinc/27/22/19/852272219.db2.gz URSMKXKLOAPCPJ-CYBMUJFWSA-N -2 3 373.383 0.583 20 0 FCADHL CC(C)[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(N)=O ZINC001195246502 852730466 /nfs/dbraw/zinc/73/04/66/852730466.db2.gz HWFCCFIFPSGCHR-CYBMUJFWSA-N -2 3 350.343 0.841 20 0 FCADHL CC(C)[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(N)=O ZINC001195246507 852730562 /nfs/dbraw/zinc/73/05/62/852730562.db2.gz HWFCCFIFPSGCHR-ZDUSSCGKSA-N -2 3 350.343 0.841 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])c1cncc(OCC2CCOCC2)n1 ZINC001199168334 853383245 /nfs/dbraw/zinc/38/32/45/853383245.db2.gz VLPIOYMPCBHFCC-UHFFFAOYSA-N -2 3 373.346 0.970 20 0 FCADHL NS(=O)(=O)c1ccc(NC(=S)NCCCCP(=O)([O-])[O-])cc1 ZINC001199213843 853390576 /nfs/dbraw/zinc/39/05/76/853390576.db2.gz NTNDOXKBADGFMY-UHFFFAOYSA-N -2 3 367.389 0.578 20 0 FCADHL Cn1cncc1Nc1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001211246881 854170503 /nfs/dbraw/zinc/17/05/03/854170503.db2.gz WSMJSQDKGWWLTE-UHFFFAOYSA-N -2 3 353.279 0.455 20 0 FCADHL CCC(C)(CC)OC(=O)C[C@H](N)C(=O)NCCCCP(=O)([O-])[O-] ZINC001220375473 856094461 /nfs/dbraw/zinc/09/44/61/856094461.db2.gz TZLWZGZXGURMLS-NSHDSACASA-N -2 3 352.368 0.900 20 0 FCADHL N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCCCCP(=O)([O-])[O-] ZINC001220375442 856095129 /nfs/dbraw/zinc/09/51/29/856095129.db2.gz RQCAFQZQPZIQRS-ZDUSSCGKSA-N -2 3 358.331 0.521 20 0 FCADHL O=P([O-])([O-])CCCCO[C@@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001225018664 857013600 /nfs/dbraw/zinc/01/36/00/857013600.db2.gz DWCHOTYYNVPUDB-LBPRGKRZSA-O -2 3 354.341 0.205 20 0 FCADHL C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C(=O)N1S(=O)(=O)[O-] ZINC001256528086 858087257 /nfs/dbraw/zinc/08/72/57/858087257.db2.gz XWXUANSDSRVEQA-FFWSUHOLSA-N -2 3 360.822 0.082 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC(=O)NC2=O)c(F)cc1Cl ZINC001259224488 858250450 /nfs/dbraw/zinc/25/04/50/858250450.db2.gz JTDGWAIWCXVUON-RXMQYKEDSA-N -2 3 364.738 0.118 20 0 FCADHL COc1ccc([N-]S(=O)(=O)C2CCOCC2)c(S(=O)(=O)[O-])c1 ZINC001259915245 858305627 /nfs/dbraw/zinc/30/56/27/858305627.db2.gz VIDDNONEFTVARC-UHFFFAOYSA-N -2 3 351.402 0.863 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]OCc1cccc(C)n1 ZINC001306875260 866634821 /nfs/dbraw/zinc/63/48/21/866634821.db2.gz RNLUQYIMYMVKLQ-UHFFFAOYSA-N -2 3 354.388 0.521 20 0 FCADHL C[C@H](CC(=O)N[C@@H](C)CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001322714865 868916692 /nfs/dbraw/zinc/91/66/92/868916692.db2.gz LUEJKPVBSIMKHK-DTWKUNHWSA-N -2 3 363.823 0.771 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])CN2CCOCC2)s1 ZINC001332253807 873424523 /nfs/dbraw/zinc/42/45/23/873424523.db2.gz ACQQRYXWYSYJSB-NSHDSACASA-N -2 3 363.461 0.295 20 0 FCADHL COCC[C@H](COC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000323930001 971060742 /nfs/dbraw/zinc/06/07/42/971060742.db2.gz XPGDHYIBPXXVRK-MRVPVSSYSA-N -2 3 353.343 0.993 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2Cl)n1 ZINC001574472343 949546890 /nfs/dbraw/zinc/54/68/90/949546890.db2.gz SQFUTKMPHHDXAS-UHFFFAOYSA-N -2 3 369.798 0.888 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2Cl)n1 ZINC001574472343 949546910 /nfs/dbraw/zinc/54/69/10/949546910.db2.gz SQFUTKMPHHDXAS-UHFFFAOYSA-N -2 3 369.798 0.888 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC001595280094 949969831 /nfs/dbraw/zinc/96/98/31/949969831.db2.gz NBNRDYQUSKNWIF-KOLCDFICSA-N -2 3 361.329 0.857 20 0 FCADHL C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1ncccc1[O-] ZINC001574987237 950284484 /nfs/dbraw/zinc/28/44/84/950284484.db2.gz AVJFKWAFROKQQQ-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1ncccc1[O-] ZINC001574987237 950284502 /nfs/dbraw/zinc/28/45/02/950284502.db2.gz AVJFKWAFROKQQQ-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL C[C@H](CNC(=O)c1ccccc1[O-])N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001575028905 951177918 /nfs/dbraw/zinc/17/79/18/951177918.db2.gz PHFWTIHBNVVWBH-SNVBAGLBSA-N -2 3 354.374 0.617 20 0 FCADHL O=C(NCC1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001571022221 951413275 /nfs/dbraw/zinc/41/32/75/951413275.db2.gz BFYALASVWLWNDZ-UHFFFAOYSA-N -2 3 366.385 0.983 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571026843 951483644 /nfs/dbraw/zinc/48/36/44/951483644.db2.gz DOAQBJRIUBYPKI-ONGXEEELSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571026843 951483651 /nfs/dbraw/zinc/48/36/51/951483651.db2.gz DOAQBJRIUBYPKI-ONGXEEELSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1ncccc1-c1nnn[n-]1 ZINC001575066603 951599556 /nfs/dbraw/zinc/59/95/56/951599556.db2.gz HHIWMGMHQYECRJ-SNVBAGLBSA-N -2 3 354.374 0.840 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1ncccc1-c1nn[n-]n1 ZINC001575066603 951599566 /nfs/dbraw/zinc/59/95/66/951599566.db2.gz HHIWMGMHQYECRJ-SNVBAGLBSA-N -2 3 354.374 0.840 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575068094 951629280 /nfs/dbraw/zinc/62/92/80/951629280.db2.gz XISIZZBWVGBSKU-SECBINFHSA-N -2 3 372.364 0.979 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575068094 951629287 /nfs/dbraw/zinc/62/92/87/951629287.db2.gz XISIZZBWVGBSKU-SECBINFHSA-N -2 3 372.364 0.979 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1nccnc1-c1nnn[n-]1 ZINC001575068269 951631129 /nfs/dbraw/zinc/63/11/29/951631129.db2.gz YYBAVTQPGOSKJT-VIFPVBQESA-N -2 3 355.362 0.235 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1nccnc1-c1nn[n-]n1 ZINC001575068269 951631136 /nfs/dbraw/zinc/63/11/36/951631136.db2.gz YYBAVTQPGOSKJT-VIFPVBQESA-N -2 3 355.362 0.235 20 0 FCADHL O=C([O-])CN1CCC[C@H](C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)C1=O ZINC001595081622 951685229 /nfs/dbraw/zinc/68/52/29/951685229.db2.gz CADGZWLLCWBUFG-GFCCVEGCSA-N -2 3 362.386 0.389 20 0 FCADHL O=C([O-])CN1CCCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1=O ZINC001595097124 951828125 /nfs/dbraw/zinc/82/81/25/951828125.db2.gz VIBFPLKPUXYDNL-NSHDSACASA-N -2 3 362.354 0.709 20 0 FCADHL C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncccc1[O-] ZINC001575157616 952266344 /nfs/dbraw/zinc/26/63/44/952266344.db2.gz NPTUPPMAXFCZRG-VIFPVBQESA-N -2 3 355.362 0.330 20 0 FCADHL C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncccc1[O-] ZINC001575157616 952266352 /nfs/dbraw/zinc/26/63/52/952266352.db2.gz NPTUPPMAXFCZRG-VIFPVBQESA-N -2 3 355.362 0.330 20 0 FCADHL O=C([O-])C1(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCSCC1 ZINC001594855662 954230925 /nfs/dbraw/zinc/23/09/25/954230925.db2.gz HZPSOFSLDJDOPR-SNVBAGLBSA-N -2 3 352.416 0.475 20 0 FCADHL O=C([O-])C1(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCSCC1 ZINC001594855661 954231026 /nfs/dbraw/zinc/23/10/26/954231026.db2.gz HZPSOFSLDJDOPR-JTQLQIEISA-N -2 3 352.416 0.475 20 0 FCADHL CO[C@](C)(C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001593925941 956126230 /nfs/dbraw/zinc/12/62/30/956126230.db2.gz PEWRGVGXBRGNDI-NSHDSACASA-N -2 3 370.836 0.286 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOCCO)c(Br)o1 ZINC000055329903 957545552 /nfs/dbraw/zinc/54/55/52/957545552.db2.gz GFGTUBQGLQDSNA-UHFFFAOYSA-N -2 3 358.166 0.028 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])s1 ZINC001588525730 958853779 /nfs/dbraw/zinc/85/37/79/958853779.db2.gz BRKQEFRWVZCMCL-JTQLQIEISA-N -2 3 370.412 0.471 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001594467464 959511492 /nfs/dbraw/zinc/51/14/92/959511492.db2.gz BJISIIHSLLOJFI-QWHCGFSZSA-N -2 3 373.413 0.874 20 0 FCADHL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)C(C)C)c1OC ZINC000210622986 959675080 /nfs/dbraw/zinc/67/50/80/959675080.db2.gz SNBKSRXLOIMVFF-WAYWQWQTSA-N -3 3 372.399 0.767 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc(OCC(=O)[O-])cc3)CC2)n1 ZINC001594269516 959785483 /nfs/dbraw/zinc/78/54/83/959785483.db2.gz RRMHPVOTNWWXFM-UHFFFAOYSA-N -2 3 372.381 0.916 20 0 FCADHL CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)Nc2ncccc2[O-])C1 ZINC001588701006 960811493 /nfs/dbraw/zinc/81/14/93/960811493.db2.gz XHCBEGWHTSYFNN-INIZCTEOSA-N -2 3 367.358 0.816 20 0 FCADHL COC[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000318737231 970466321 /nfs/dbraw/zinc/46/63/21/970466321.db2.gz VNYJKLAKSAHGSV-QMMMGPOBSA-N -2 3 355.771 0.853 20 0 FCADHL CN(C)C(=O)OCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001604045677 974574451 /nfs/dbraw/zinc/57/44/51/974574451.db2.gz JBPUGWRVUFDDES-IUCAKERBSA-N -2 3 355.313 0.281 20 0 FCADHL C[C@H](CC(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001592356428 977836643 /nfs/dbraw/zinc/83/66/43/977836643.db2.gz NWGMPMLCFAQRJQ-SSDOTTSWSA-N -2 3 354.837 0.907 20 0 FCADHL C[C@](CO)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CC(=O)[O-] ZINC001592728206 979235045 /nfs/dbraw/zinc/23/50/45/979235045.db2.gz CRHWHEUDXUSTLC-CYBMUJFWSA-N -3 3 367.326 0.415 20 0 FCADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC001595310100 980466265 /nfs/dbraw/zinc/46/62/65/980466265.db2.gz APTKERJXYSBYCC-BYPYZUCNSA-N -3 3 356.150 0.882 20 0 FCADHL CC[C@H]1CN(C)CCN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC001595482374 981206847 /nfs/dbraw/zinc/20/68/47/981206847.db2.gz HURYHTACVQQPNL-HNNXBMFYSA-N -2 3 372.425 0.959 20 0 FCADHL CCOC(=O)CCS(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C ZINC001596614058 984579185 /nfs/dbraw/zinc/57/91/85/984579185.db2.gz YCDDSCCJMWVPHA-JTQLQIEISA-N -2 3 367.420 0.434 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599900244 984808518 /nfs/dbraw/zinc/80/85/18/984808518.db2.gz FQMUXAZUIKLDDB-BQBZGAKWSA-N -2 3 369.321 0.357 20 0 FCADHL CCc1n[nH]c(=O)c(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1CC ZINC001597641584 988638971 /nfs/dbraw/zinc/63/89/71/988638971.db2.gz CAPVRZAMDZWAOT-UHFFFAOYSA-N -2 3 372.428 0.940 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)N(C)C ZINC001599842623 988871810 /nfs/dbraw/zinc/87/18/10/988871810.db2.gz VGINVTLOCNUXGX-ZCFIWIBFSA-N -2 3 352.771 0.932 20 0 FCADHL CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(=O)[n-]cn2)[C@H](C(=O)[O-])C1 ZINC001590035216 989057615 /nfs/dbraw/zinc/05/76/15/989057615.db2.gz RTARCAVYDCBUTF-NSHDSACASA-N -2 3 366.374 0.718 20 0 FCADHL CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC001598116818 990519245 /nfs/dbraw/zinc/51/92/45/990519245.db2.gz GKNHFELLDWPICV-IUCAKERBSA-N -2 3 361.445 0.767 20 0 FCADHL CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-][C@@H](CF)C(=O)[O-])cc1 ZINC001598131310 990573208 /nfs/dbraw/zinc/57/32/08/990573208.db2.gz ZWDFFJUPPROHMH-NSHDSACASA-N -2 3 362.304 0.784 20 0 FCADHL COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C2 ZINC001599694074 991119469 /nfs/dbraw/zinc/11/94/69/991119469.db2.gz SLMASCSENGNGIL-JTQLQIEISA-N -2 3 367.383 0.707 20 0 FCADHL COc1ccccc1C[C@H](CNC(=O)c1cc(=O)[n-]c(N(C)C)n1)C(=O)[O-] ZINC001599709528 991347762 /nfs/dbraw/zinc/34/77/62/991347762.db2.gz JPVRTIMFVQYWEC-GFCCVEGCSA-N -2 3 374.397 0.930 20 0 FCADHL COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C2 ZINC001599627087 994164099 /nfs/dbraw/zinc/16/40/99/994164099.db2.gz BYOXSRJHGDDLAQ-NSHDSACASA-N -2 3 351.384 0.952 20 0 FCADHL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)C[C@@H]21 ZINC001593279173 994633208 /nfs/dbraw/zinc/63/32/08/994633208.db2.gz VMQRQNWRSNIZCK-JZYVYDRUSA-N -2 3 369.790 0.471 20 0 FCADHL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)C[C@@H]21 ZINC001593279173 994633214 /nfs/dbraw/zinc/63/32/14/994633214.db2.gz VMQRQNWRSNIZCK-JZYVYDRUSA-N -2 3 369.790 0.471 20 0 FCADHL C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001593318754 994838616 /nfs/dbraw/zinc/83/86/16/994838616.db2.gz KBVGKOZRDUBSFG-VHSXEESVSA-N -2 3 371.415 0.535 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc2c(c1)CC(=O)N2C ZINC001593330630 994896077 /nfs/dbraw/zinc/89/60/77/994896077.db2.gz MMBFAJQNAUQGAE-QMMMGPOBSA-N -2 3 365.367 0.931 20 0 FCADHL COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001598695963 995138119 /nfs/dbraw/zinc/13/81/19/995138119.db2.gz BMRGFQQEBBJEBY-UWVGGRQHSA-N -2 3 361.372 0.614 20 0 FCADHL COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598702389 995240038 /nfs/dbraw/zinc/24/00/38/995240038.db2.gz BVGNPCACPOGQQZ-AGIUHOORSA-N -2 3 356.400 0.338 20 0 FCADHL C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)C(C)(C)C(=O)[O-] ZINC001593491797 995469217 /nfs/dbraw/zinc/46/92/17/995469217.db2.gz XUNSUROWCNOMOH-BDAKNGLRSA-N -2 3 351.421 0.562 20 0 FCADHL COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001598841938 996533134 /nfs/dbraw/zinc/53/31/34/996533134.db2.gz VGFRCBSAVAMMGW-SSDOTTSWSA-N -2 3 369.754 0.380 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C(=O)[O-] ZINC001599177403 996876060 /nfs/dbraw/zinc/87/60/60/996876060.db2.gz LKOQRTQOUKIVLB-ZCFIWIBFSA-N -2 3 351.793 0.723 20 0 FCADHL COC(=O)Nc1ccc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)cc1[O-] ZINC001598887290 996923980 /nfs/dbraw/zinc/92/39/80/996923980.db2.gz ULTREGJHLZSVAC-GFCCVEGCSA-N -2 3 366.326 0.803 20 0 FCADHL COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1ccccc1 ZINC001598894720 997058178 /nfs/dbraw/zinc/05/81/78/997058178.db2.gz NZYGUGGGFMUODP-GFCCVEGCSA-N -2 3 369.351 0.877 20 0 FCADHL COC[C@]1(C(=O)[O-])CCN(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC001599194293 997186243 /nfs/dbraw/zinc/18/62/43/997186243.db2.gz KKJRAEBTAPLNMP-KRWDZBQOSA-N -2 3 350.371 0.771 20 0 FCADHL COc1ccc([C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C(=O)[O-])cc1O ZINC001599518237 997430324 /nfs/dbraw/zinc/43/03/24/997430324.db2.gz FBBGRNKTDXLXRL-HNNXBMFYSA-N -2 3 361.354 0.998 20 0 FCADHL COC(=O)c1cc(C)nc2nc(S[C@@H](C)C(=O)C(=O)[O-])[n-]c(=O)c21 ZINC001598928849 997703361 /nfs/dbraw/zinc/70/33/61/997703361.db2.gz ZYDLHNVYKNTDEI-LURJTMIESA-N -2 3 351.340 0.960 20 0 FCADHL C[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCNC1=O ZINC001594061888 997856281 /nfs/dbraw/zinc/85/62/81/997856281.db2.gz NTLSDHFSHUJIIN-LBPRGKRZSA-N -2 3 350.755 0.734 20 0 FCADHL COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001599016486 998943398 /nfs/dbraw/zinc/94/33/98/998943398.db2.gz WYJXCFUGCUFXRJ-XPUUQOCRSA-N -2 3 350.299 0.112 20 0 FCADHL COC(=O)c1sc2[n-]c(CN(C)C[C@@H](C)O)nc(=O)c2c1CC(=O)[O-] ZINC001599022206 998989984 /nfs/dbraw/zinc/98/99/84/998989984.db2.gz DSFOYTLVVMAMPI-SSDOTTSWSA-N -2 3 369.399 0.211 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1n[n-]c(CC(=O)[O-])n1)c1ccc(F)cc1 ZINC001599056785 999235837 /nfs/dbraw/zinc/23/58/37/999235837.db2.gz DRQQGJQRPXSWDS-SNVBAGLBSA-N -3 3 358.351 0.700 20 0 FCADHL Cc1c(S(=O)(=O)[N-]c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cnn1C ZINC000291801363 214056940 /nfs/dbraw/zinc/05/69/40/214056940.db2.gz ARFCGAQTRFYBSU-HNNXBMFYSA-N -2 3 363.399 0.584 20 0 FCADHL Cc1c(S(=O)(=O)[N-]c2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)cnn1C ZINC000291936958 214066509 /nfs/dbraw/zinc/06/65/09/214066509.db2.gz PCDLQKBTEMMUQG-LBPRGKRZSA-N -2 3 363.399 0.280 20 0 FCADHL Cc1cc(C(=O)N[C@@H]2CCCN(CCCO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000296434841 214349859 /nfs/dbraw/zinc/34/98/59/214349859.db2.gz MWCLUWHQHGYFOG-LLVKDONJSA-N -2 3 361.402 0.321 20 0 FCADHL CCOC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)cc1F)C(=O)[O-] ZINC000296792259 214364861 /nfs/dbraw/zinc/36/48/61/214364861.db2.gz AUTOQKAMWTVYQN-LLVKDONJSA-N -2 3 363.363 0.689 20 0 FCADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000297223291 214386570 /nfs/dbraw/zinc/38/65/70/214386570.db2.gz ODRQEUJGNCHMRJ-VIFPVBQESA-N -2 3 350.418 0.407 20 0 FCADHL O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000290905851 214002205 /nfs/dbraw/zinc/00/22/05/214002205.db2.gz FQMDCIQCGCPSFI-UHFFFAOYSA-N -2 3 360.335 0.636 20 0 FCADHL O=C(c1ccc(Br)c([O-])c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 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0.521 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1nnn[n-]1 ZINC000542772363 490908848 /nfs/dbraw/zinc/90/88/48/490908848.db2.gz IEHZEUMWQYWXBT-QMMMGPOBSA-N -2 3 356.383 0.586 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1nn[n-]n1 ZINC000542772363 490908850 /nfs/dbraw/zinc/90/88/50/490908850.db2.gz IEHZEUMWQYWXBT-QMMMGPOBSA-N -2 3 356.383 0.586 20 0 FCADHL COc1n[nH]c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000543031861 490919273 /nfs/dbraw/zinc/91/92/73/490919273.db2.gz IITDENIUFAFXMH-UHFFFAOYSA-N -2 3 365.368 0.125 20 0 FCADHL C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000543049718 490920178 /nfs/dbraw/zinc/92/01/78/490920178.db2.gz YJMVCAKTFVKUHE-IUCAKERBSA-N -2 3 354.425 0.635 20 0 FCADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C(N)=O)ccc1[O-] ZINC000544846524 490983319 /nfs/dbraw/zinc/98/33/19/490983319.db2.gz UNCMLEWDMYRTDF-UHFFFAOYSA-N -2 3 353.360 0.282 20 0 FCADHL COCC1([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000532196886 490989591 /nfs/dbraw/zinc/98/95/91/490989591.db2.gz TXTRNSPESWOCRS-UHFFFAOYSA-N -2 3 352.409 0.655 20 0 FCADHL CC(C)[C@H](CO)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000565439899 491376982 /nfs/dbraw/zinc/37/69/82/491376982.db2.gz YMMSTHQFLUHVOE-JTQLQIEISA-N -2 3 368.452 0.740 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])c(F)c1 ZINC000565632936 491390018 /nfs/dbraw/zinc/39/00/18/491390018.db2.gz SISMUSRHBIMUOD-NSHDSACASA-N -2 3 371.390 0.790 20 0 FCADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)s1 ZINC000565889448 491405354 /nfs/dbraw/zinc/40/53/54/491405354.db2.gz OTUKTWYLDAXFLF-UHFFFAOYSA-N -2 3 359.433 0.595 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)cn1 ZINC000558272030 491423508 /nfs/dbraw/zinc/42/35/08/491423508.db2.gz XIDPFMUJIQUONN-ZETCQYMHSA-N -2 3 352.315 0.503 20 0 FCADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cnn3c2OCCC3)c1 ZINC000566184594 491424161 /nfs/dbraw/zinc/42/41/61/491424161.db2.gz NRBCXGIBHJWFPQ-UHFFFAOYSA-N -2 3 351.384 0.885 20 0 FCADHL COCCn1cc2c(n1)[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])CCC2 ZINC000573560754 491440566 /nfs/dbraw/zinc/44/05/66/491440566.db2.gz BTHBAMPOSJYPIQ-NSHDSACASA-N -2 3 369.403 0.307 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)c(C)o1 ZINC000559051285 491453124 /nfs/dbraw/zinc/45/31/24/491453124.db2.gz CWPSLQYWHUEMLJ-SSDOTTSWSA-N -2 3 360.417 0.729 20 0 FCADHL Cc1nc(S(=O)(=O)[N-][C@@H](CC2CCCCC2)[C@@H](O)C(=O)[O-])cn1C ZINC000559140228 491455357 /nfs/dbraw/zinc/45/53/57/491455357.db2.gz HPKOLONVWFRHQU-GXTWGEPZSA-N -2 3 359.448 0.791 20 0 FCADHL CC[C@](C)([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000574200065 491480519 /nfs/dbraw/zinc/48/05/19/491480519.db2.gz IXCYJOMARWWTLM-ZDUSSCGKSA-N -2 3 364.445 0.469 20 0 FCADHL COc1cccc(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1OC ZINC000567802907 491530829 /nfs/dbraw/zinc/53/08/29/491530829.db2.gz BNPMIEVBKKBVJE-UHFFFAOYSA-N -2 3 355.372 0.646 20 0 FCADHL CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000577059572 491585399 /nfs/dbraw/zinc/58/53/99/491585399.db2.gz YBMPSBWKOMUVQA-UHFFFAOYSA-N -2 3 360.417 0.624 20 0 FCADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000568989201 491624822 /nfs/dbraw/zinc/62/48/22/491624822.db2.gz MITCWORWOZMMHN-ZETCQYMHSA-N -2 3 372.346 0.888 20 0 FCADHL COc1ccc(S(=O)(=O)[N-][C@H](Cc2cnn(C)c2)C(=O)[O-])c(F)c1 ZINC000569409387 491659568 /nfs/dbraw/zinc/65/95/68/491659568.db2.gz NENSYFNEGLSOCC-GFCCVEGCSA-N -2 3 357.363 0.542 20 0 FCADHL CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)nc1C ZINC000683621310 493360622 /nfs/dbraw/zinc/36/06/22/493360622.db2.gz ULPCLQQQKDEDQC-HIFRSBDPSA-N -2 3 367.427 0.547 20 0 FCADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O ZINC000581118845 491759921 /nfs/dbraw/zinc/75/99/21/491759921.db2.gz NTWJGJJXEIJSJI-XVKPBYJWSA-N -2 3 373.408 0.800 20 0 FCADHL O=C(CNC(=O)c1ccc([O-])cc1)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000589690138 491765139 /nfs/dbraw/zinc/76/51/39/491765139.db2.gz LWEJTXHLVUQMJG-HNNXBMFYSA-N -2 3 352.354 0.541 20 0 FCADHL O=C(CNC(=O)c1ccc([O-])cc1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000589690138 491765140 /nfs/dbraw/zinc/76/51/40/491765140.db2.gz LWEJTXHLVUQMJG-HNNXBMFYSA-N -2 3 352.354 0.541 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])s1 ZINC000590599500 491780674 /nfs/dbraw/zinc/78/06/74/491780674.db2.gz FMXDRYRHDXDXRO-JTQLQIEISA-N -2 3 370.408 0.904 20 0 FCADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000581639982 491780944 /nfs/dbraw/zinc/78/09/44/491780944.db2.gz RNEMGHYWHCNSMP-SNVBAGLBSA-N -2 3 371.337 0.919 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000581701327 491783162 /nfs/dbraw/zinc/78/31/62/491783162.db2.gz YOHRWZUJTSMVEZ-UHFFFAOYSA-N -2 3 374.440 0.365 20 0 FCADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CO1 ZINC000582119207 491798791 /nfs/dbraw/zinc/79/87/91/491798791.db2.gz MGEHXVJRTOLQTB-PSASIEDQSA-N -2 3 352.409 0.653 20 0 FCADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)OC ZINC000583781704 491851972 /nfs/dbraw/zinc/85/19/72/491851972.db2.gz XMKASAOUBXLPIC-JTQLQIEISA-N -2 3 354.425 0.901 20 0 FCADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-] ZINC000600654850 491872310 /nfs/dbraw/zinc/87/23/10/491872310.db2.gz HPTZHDGTJIUVEM-MRVPVSSYSA-N -2 3 351.327 0.958 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000603889413 492044945 /nfs/dbraw/zinc/04/49/45/492044945.db2.gz REGRYHBADTUTTP-JTQLQIEISA-N -2 3 356.379 0.439 20 0 FCADHL CC(C)Cc1nc(=NC(=O)C[N-]S(=O)(=O)CCOC(C)C)s[n-]1 ZINC000618348682 492225517 /nfs/dbraw/zinc/22/55/17/492225517.db2.gz XUNYVFTVEPKBAI-UHFFFAOYSA-N -2 3 364.493 0.441 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000647754498 492355607 /nfs/dbraw/zinc/35/56/07/492355607.db2.gz IVNMKZULDPWKND-UISBYWKRSA-N -2 3 373.431 0.527 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000622119140 492456328 /nfs/dbraw/zinc/45/63/28/492456328.db2.gz XHQKDBQOVGLDNG-UHFFFAOYSA-N -2 3 358.351 0.241 20 0 FCADHL CC(C)[C@@H](CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000655571920 492458912 /nfs/dbraw/zinc/45/89/12/492458912.db2.gz OQVZQVQKNJHNJO-LLVKDONJSA-N -2 3 360.407 0.967 20 0 FCADHL COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-] ZINC000656164072 492559443 /nfs/dbraw/zinc/55/94/43/492559443.db2.gz IBXCQTMPFVASBS-VIFPVBQESA-N -2 3 369.392 0.190 20 0 FCADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCc2c(nnn2C)C1 ZINC000656181253 492562145 /nfs/dbraw/zinc/56/21/45/492562145.db2.gz VFRXHRGWNIZKID-ZETCQYMHSA-N -2 3 372.428 0.419 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)n1C ZINC000629291307 492602224 /nfs/dbraw/zinc/60/22/24/492602224.db2.gz PHQITKSJQLZKMY-HNNXBMFYSA-N -2 3 363.399 0.584 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-][C@H](Cc2cnn(C)c2)C(=O)[O-])c(F)c1F ZINC000629293230 492603238 /nfs/dbraw/zinc/60/32/38/492603238.db2.gz HIUGIXIOZJYFGA-SNVBAGLBSA-N -2 3 359.354 0.981 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCOC1 ZINC000656621015 492637993 /nfs/dbraw/zinc/63/79/93/492637993.db2.gz LGIKHWXLAMXSAQ-AAEUAGOBSA-N -2 3 353.404 0.660 20 0 FCADHL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1-n1cnnc1 ZINC000650412356 492638674 /nfs/dbraw/zinc/63/86/74/492638674.db2.gz ANFSMXRFOIDNTB-TVQRCGJNSA-N -2 3 352.372 0.885 20 0 FCADHL COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cnn(C)c1C ZINC000650418453 492639826 /nfs/dbraw/zinc/63/98/26/492639826.db2.gz NMPRXYPKUWQZTP-ZDUSSCGKSA-N -2 3 357.363 0.980 20 0 FCADHL C[C@@]1(C[C@H]2CCCN2S(=O)(=O)c2ccccc2[O-])NC(=O)[N-]C1=O ZINC000656988350 492688379 /nfs/dbraw/zinc/68/83/79/492688379.db2.gz PCDRMJKGVPERCF-BMIGLBTASA-N -2 3 353.400 0.534 20 0 FCADHL C[C@@H]1C[C@H](C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)O[C@H]1C(=O)[O-] ZINC000630109282 492724862 /nfs/dbraw/zinc/72/48/62/492724862.db2.gz JZPPVQSMBZXDCV-RTUPAMAMSA-N -2 3 361.354 0.558 20 0 FCADHL CO[C@]1(C(=O)[O-])CCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000630253594 492733404 /nfs/dbraw/zinc/73/34/04/492733404.db2.gz FNGYMOWDIIVXFK-DLBZAZTESA-N -2 3 361.354 0.057 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])c(C)o1 ZINC000630269885 492735015 /nfs/dbraw/zinc/73/50/15/492735015.db2.gz LHWFSMTWYZXXQQ-JQWIXIFHSA-N -2 3 374.415 0.496 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](CO)CCF)c(F)c1 ZINC000651895459 492843612 /nfs/dbraw/zinc/84/36/12/492843612.db2.gz LLUZEDKLRKTZSY-VIFPVBQESA-N -2 3 358.388 0.196 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cn1 ZINC000626846164 493034119 /nfs/dbraw/zinc/03/41/19/493034119.db2.gz NYHKCKHELORBQX-SNVBAGLBSA-N -2 3 367.387 0.562 20 0 FCADHL CC[C@H](C(=O)[O-])N(C)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000653338581 493095332 /nfs/dbraw/zinc/09/53/32/493095332.db2.gz CSFOUCNDMXNQGQ-GFCCVEGCSA-N -2 3 364.370 0.955 20 0 FCADHL CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC000653484878 493153505 /nfs/dbraw/zinc/15/35/05/493153505.db2.gz IZTRUJLZHFUBPT-UHFFFAOYSA-N -2 3 353.404 0.534 20 0 FCADHL CC(C)[C@H](CNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)C(=O)[O-] ZINC000653541646 493157376 /nfs/dbraw/zinc/15/73/76/493157376.db2.gz WNQIALHQYXLCPH-QWHCGFSZSA-N -2 3 362.386 0.915 20 0 FCADHL CC(C)[C@@H](CNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)C(=O)[O-] ZINC000653541645 493157413 /nfs/dbraw/zinc/15/74/13/493157413.db2.gz WNQIALHQYXLCPH-OLZOCXBDSA-N -2 3 362.386 0.915 20 0 FCADHL C[C@](CCF)(NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-] ZINC000659214743 493169318 /nfs/dbraw/zinc/16/93/18/493169318.db2.gz JKHMFFDTUZAXNJ-CVEARBPZSA-N -2 3 351.334 0.674 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659237143 493177408 /nfs/dbraw/zinc/17/74/08/493177408.db2.gz XKXSITFNFMCMIA-VPJDZLOFSA-N -2 3 373.431 0.718 20 0 FCADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](Cc2cnc[nH]2)C(=O)[O-])c(F)c1 ZINC000681555874 493185977 /nfs/dbraw/zinc/18/59/77/493185977.db2.gz LMYADTIADMTCHE-NSHDSACASA-N -2 3 361.326 0.671 20 0 FCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)c(F)c1 ZINC000681567026 493188582 /nfs/dbraw/zinc/18/85/82/493188582.db2.gz REJFVVOPMFNFTE-RNCFNFMXSA-N -2 3 360.363 0.552 20 0 FCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)c(F)c1 ZINC000681567030 493188664 /nfs/dbraw/zinc/18/86/64/493188664.db2.gz REJFVVOPMFNFTE-ZANVPECISA-N -2 3 360.363 0.552 20 0 FCADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])CN2CCOCC2)c[nH]1 ZINC000681579008 493189101 /nfs/dbraw/zinc/18/91/01/493189101.db2.gz WHWDEWRXHGNLOT-LBPRGKRZSA-N -2 3 374.463 0.377 20 0 FCADHL CCC(CC)(NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000675088138 493466733 /nfs/dbraw/zinc/46/67/33/493466733.db2.gz MNELTEURQZFWCP-VIFPVBQESA-N -2 3 361.420 0.718 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000676022244 493519394 /nfs/dbraw/zinc/51/93/94/493519394.db2.gz 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606298594 /nfs/dbraw/zinc/29/85/94/606298594.db2.gz QGAZWOXWTLSLOW-LBPRGKRZSA-N -2 3 358.362 0.410 20 0 FCADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000820032763 606298595 /nfs/dbraw/zinc/29/85/95/606298595.db2.gz QGAZWOXWTLSLOW-LBPRGKRZSA-N -2 3 358.362 0.410 20 0 FCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc([O-])n(C)c1=O ZINC000821413268 606360809 /nfs/dbraw/zinc/36/08/09/606360809.db2.gz YTUGOXGHTZXKEZ-UHFFFAOYSA-N -2 3 357.330 0.317 20 0 FCADHL CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000819835349 606405427 /nfs/dbraw/zinc/40/54/27/606405427.db2.gz WJRHHYZFYAGLKX-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000819835349 606405428 /nfs/dbraw/zinc/40/54/28/606405428.db2.gz WJRHHYZFYAGLKX-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC[C@H]1CCOC1 ZINC000822222568 606409186 /nfs/dbraw/zinc/40/91/86/606409186.db2.gz MJQZVFYCLYHQCD-NSHDSACASA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC[C@H]1CCOC1 ZINC000822222568 606409188 /nfs/dbraw/zinc/40/91/88/606409188.db2.gz MJQZVFYCLYHQCD-NSHDSACASA-N -2 3 365.415 0.797 20 0 FCADHL COC(=O)c1ccccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821669991 606709085 /nfs/dbraw/zinc/70/90/85/606709085.db2.gz IBGLWMYUELXBPZ-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821669999 606709657 /nfs/dbraw/zinc/70/96/57/606709657.db2.gz IFFVWTHPZVXMQD-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cn1 ZINC000822684978 606710185 /nfs/dbraw/zinc/71/01/85/606710185.db2.gz OEFLVFXOZJWKKE-UHFFFAOYSA-N -2 3 351.396 0.353 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822940944 606748263 /nfs/dbraw/zinc/74/82/63/606748263.db2.gz KSEYEAIUTUURLV-ZDUSSCGKSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822940944 606748265 /nfs/dbraw/zinc/74/82/65/606748265.db2.gz KSEYEAIUTUURLV-ZDUSSCGKSA-N -2 3 365.415 0.772 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000821685359 606758912 /nfs/dbraw/zinc/75/89/12/606758912.db2.gz ASTVOJWQUJYVGC-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000821685359 606758914 /nfs/dbraw/zinc/75/89/14/606758914.db2.gz ASTVOJWQUJYVGC-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CCCO1 ZINC000820438006 606884384 /nfs/dbraw/zinc/88/43/84/606884384.db2.gz GAMNUGFWDUSHAY-RDDDGLTNSA-N -2 3 359.358 0.991 20 0 FCADHL C[C@@]1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCOC1 ZINC000820618935 606891376 /nfs/dbraw/zinc/89/13/76/606891376.db2.gz UAOWIFSEYHYQPT-ZDUSSCGKSA-N -2 3 359.358 0.850 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821088441 606915968 /nfs/dbraw/zinc/91/59/68/606915968.db2.gz OFINIFWOIAEQHA-JTQLQIEISA-N -2 3 368.419 0.337 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821088441 606915970 /nfs/dbraw/zinc/91/59/70/606915970.db2.gz OFINIFWOIAEQHA-JTQLQIEISA-N -2 3 368.419 0.337 20 0 FCADHL COc1cc(OC)cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821728657 607122331 /nfs/dbraw/zinc/12/23/31/607122331.db2.gz YDJLYQWBOHLCDK-UHFFFAOYSA-N -2 3 365.375 0.418 20 0 FCADHL COCCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000821694245 607122449 /nfs/dbraw/zinc/12/24/49/607122449.db2.gz DQJIQTGTZMXVEH-UHFFFAOYSA-N -2 3 363.403 0.590 20 0 FCADHL COCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000821694245 607122451 /nfs/dbraw/zinc/12/24/51/607122451.db2.gz DQJIQTGTZMXVEH-UHFFFAOYSA-N -2 3 363.403 0.590 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450678 607776993 /nfs/dbraw/zinc/77/69/93/607776993.db2.gz YGSPPSYFFHMJGS-UHFFFAOYSA-N -2 3 352.763 0.967 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450678 607776994 /nfs/dbraw/zinc/77/69/94/607776994.db2.gz YGSPPSYFFHMJGS-UHFFFAOYSA-N -2 3 352.763 0.967 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449913 607777713 /nfs/dbraw/zinc/77/77/13/607777713.db2.gz OOQJUEKYHHFJPE-UHFFFAOYSA-N -2 3 359.371 0.232 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449913 607777714 /nfs/dbraw/zinc/77/77/14/607777714.db2.gz OOQJUEKYHHFJPE-UHFFFAOYSA-N -2 3 359.371 0.232 20 0 FCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)CC1CCC1 ZINC000826418537 607860998 /nfs/dbraw/zinc/86/09/98/607860998.db2.gz LGCDOPUWDQRKOB-UHFFFAOYSA-N -2 3 351.388 0.492 20 0 FCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)CC1CCC1 ZINC000826418537 607860999 /nfs/dbraw/zinc/86/09/99/607860999.db2.gz LGCDOPUWDQRKOB-UHFFFAOYSA-N -2 3 351.388 0.492 20 0 FCADHL CN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825897512 608010002 /nfs/dbraw/zinc/01/00/02/608010002.db2.gz IBYSFHRQALMYOG-UHFFFAOYSA-N -2 3 365.293 0.591 20 0 FCADHL CN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825897512 608010003 /nfs/dbraw/zinc/01/00/03/608010003.db2.gz IBYSFHRQALMYOG-UHFFFAOYSA-N -2 3 365.293 0.591 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000826255040 608010447 /nfs/dbraw/zinc/01/04/47/608010447.db2.gz JJTMFSDMPTWDNX-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000826255040 608010448 /nfs/dbraw/zinc/01/04/48/608010448.db2.gz JJTMFSDMPTWDNX-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390696 608219997 /nfs/dbraw/zinc/21/99/97/608219997.db2.gz KPSKTXWZKJMCOT-MRVPVSSYSA-N -2 3 356.346 0.686 20 0 FCADHL CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390696 608219999 /nfs/dbraw/zinc/21/99/99/608219999.db2.gz KPSKTXWZKJMCOT-MRVPVSSYSA-N -2 3 356.346 0.686 20 0 FCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cncc(Br)c1 ZINC000826492337 608306990 /nfs/dbraw/zinc/30/69/90/608306990.db2.gz FNPVBIJMOAWPJS-UHFFFAOYSA-N -2 3 371.180 0.548 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000824377315 608454657 /nfs/dbraw/zinc/45/46/57/608454657.db2.gz BOXTULGVRCMAIK-UHFFFAOYSA-N -2 3 367.416 0.824 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000824377315 608454658 /nfs/dbraw/zinc/45/46/58/608454658.db2.gz BOXTULGVRCMAIK-UHFFFAOYSA-N -2 3 367.416 0.824 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826287020 608473974 /nfs/dbraw/zinc/47/39/74/608473974.db2.gz ZBPMDJSGOHECKT-UHFFFAOYSA-N -2 3 361.383 0.957 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826287020 608473975 /nfs/dbraw/zinc/47/39/75/608473975.db2.gz ZBPMDJSGOHECKT-UHFFFAOYSA-N -2 3 361.383 0.957 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000826280348 608781492 /nfs/dbraw/zinc/78/14/92/608781492.db2.gz YGHBWQDEHYNBAF-UHFFFAOYSA-N -3 3 363.359 0.408 20 0 FCADHL CCOc1cccnc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825658782 608820037 /nfs/dbraw/zinc/82/00/37/608820037.db2.gz KIDVAJVNNXRNSN-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CCOc1cccnc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825658782 608820038 /nfs/dbraw/zinc/82/00/38/608820038.db2.gz KIDVAJVNNXRNSN-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000824337559 609255860 /nfs/dbraw/zinc/25/58/60/609255860.db2.gz AKDKXUILJWYBAJ-ZDUSSCGKSA-N -2 3 364.431 0.690 20 0 FCADHL CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000028198328 664886545 /nfs/dbraw/zinc/88/65/45/664886545.db2.gz CAGLUEFVRYGCDM-UHFFFAOYSA-N -2 3 361.445 0.093 20 0 FCADHL CS[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C[C@@H]1N(C)C ZINC000906908189 666076179 /nfs/dbraw/zinc/07/61/79/666076179.db2.gz XOXPRBBCETYEGJ-JQWIXIFHSA-N -2 3 360.457 0.757 20 0 FCADHL CS[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C[C@H]1N(C)C ZINC000906908191 666076202 /nfs/dbraw/zinc/07/62/02/666076202.db2.gz XOXPRBBCETYEGJ-PWSUYJOCSA-N -2 3 360.457 0.757 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000912562976 666454705 /nfs/dbraw/zinc/45/47/05/666454705.db2.gz PKFVZVQBELWMMG-NSHDSACASA-N -2 3 369.355 0.315 20 0 FCADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000064375376 666457118 /nfs/dbraw/zinc/45/71/18/666457118.db2.gz KFUCIFMCJOERTJ-UHFFFAOYSA-N -2 3 363.461 0.691 20 0 FCADHL CNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000057124765 666554570 /nfs/dbraw/zinc/55/45/70/666554570.db2.gz GEPYQPXCIVPVMA-UHFFFAOYSA-N -2 3 354.310 0.101 20 0 FCADHL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 ZINC000063877187 666608477 /nfs/dbraw/zinc/60/84/77/666608477.db2.gz UGRDFTFGZWOMKO-UHFFFAOYSA-N -2 3 364.445 0.220 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCS(=O)(=O)C2)c(F)cc1F ZINC000761294556 667885624 /nfs/dbraw/zinc/88/56/24/667885624.db2.gz XOJQGPMQANRGTE-ZETCQYMHSA-N -2 3 369.367 0.519 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CCSCC1 ZINC000738139798 667905146 /nfs/dbraw/zinc/90/51/46/667905146.db2.gz QBNQUVRHUBMWGN-UHFFFAOYSA-N -2 3 367.456 0.956 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CCSCC1 ZINC000738139798 667905148 /nfs/dbraw/zinc/90/51/48/667905148.db2.gz QBNQUVRHUBMWGN-UHFFFAOYSA-N -2 3 367.456 0.956 20 0 FCADHL Cn1cc(C[C@H](C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)C(=O)[O-])cn1 ZINC000776635539 668281273 /nfs/dbraw/zinc/28/12/73/668281273.db2.gz KNBFCNQSEDHQKP-SECBINFHSA-N -2 3 361.811 0.029 20 0 FCADHL O=C(CCn1cc[n-]c(=O)c1=O)Nc1nc(Br)ccc1[O-] ZINC000783899941 668635981 /nfs/dbraw/zinc/63/59/81/668635981.db2.gz BNJXMXZLZVHICN-UHFFFAOYSA-N -2 3 355.148 0.429 20 0 FCADHL CCOCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784899023 668681019 /nfs/dbraw/zinc/68/10/19/668681019.db2.gz RXBSMCWTQLHICN-UHFFFAOYSA-N -2 3 354.381 0.039 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)n2[n-]c(=O)c3ccc(OC)cc32)o1 ZINC000819962562 669044587 /nfs/dbraw/zinc/04/45/87/669044587.db2.gz WFZUXZJQTIPUFB-UHFFFAOYSA-N -2 3 351.340 0.940 20 0 FCADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820841708 669133610 /nfs/dbraw/zinc/13/36/10/669133610.db2.gz BZXCNHWGMKOLJD-UHFFFAOYSA-N -2 3 361.387 0.994 20 0 FCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2cnn(C)c2C)c1 ZINC000821192183 669167818 /nfs/dbraw/zinc/16/78/18/669167818.db2.gz HQKNSVZFKVBNPC-QHCPKHFHSA-N -2 3 371.440 0.350 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824864787 669421290 /nfs/dbraw/zinc/42/12/90/669421290.db2.gz FMWJHBSQFOUHFB-WDEREUQCSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824864787 669421291 /nfs/dbraw/zinc/42/12/91/669421291.db2.gz FMWJHBSQFOUHFB-WDEREUQCSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824866156 669421504 /nfs/dbraw/zinc/42/15/04/669421504.db2.gz LJPIWEQGDFTSAQ-GXSJLCMTSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824866156 669421509 /nfs/dbraw/zinc/42/15/09/669421509.db2.gz LJPIWEQGDFTSAQ-GXSJLCMTSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1=O ZINC000824868241 669422041 /nfs/dbraw/zinc/42/20/41/669422041.db2.gz UIRZRYUZYRGHME-ONGXEEELSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1=O ZINC000824868241 669422044 /nfs/dbraw/zinc/42/20/44/669422044.db2.gz UIRZRYUZYRGHME-ONGXEEELSA-N -2 3 363.399 0.677 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(=O)[O-] ZINC000825679796 669464255 /nfs/dbraw/zinc/46/42/55/669464255.db2.gz GTNABXZZHDMYOC-UFBFGSQYSA-N -2 3 353.404 0.953 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000831078662 669825908 /nfs/dbraw/zinc/82/59/08/669825908.db2.gz NUDOIFOTZHXNFS-CYBMUJFWSA-N -2 3 368.367 0.914 20 0 FCADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000833722028 669937320 /nfs/dbraw/zinc/93/73/20/669937320.db2.gz XEJWJSQUBZVHAR-CQSZACIVSA-N -2 3 363.363 0.770 20 0 FCADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000833721847 669937409 /nfs/dbraw/zinc/93/74/09/669937409.db2.gz UNBZBOMQPCDOCF-LLVKDONJSA-N -2 3 352.390 0.088 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1F ZINC000843336489 670799768 /nfs/dbraw/zinc/79/97/68/670799768.db2.gz ZZFOOCMIUWGAJC-GXSJLCMTSA-N -2 3 358.391 0.917 20 0 FCADHL Cn1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1=O ZINC000852734419 671520741 /nfs/dbraw/zinc/52/07/41/671520741.db2.gz AXRKZBUORURBCG-ZYHUDNBSSA-N -2 3 361.320 0.481 20 0 FCADHL CN1CCCC[C@H]1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000902064427 675824250 /nfs/dbraw/zinc/82/42/50/675824250.db2.gz DQZDZPRAAMNKTI-GARJFASQSA-N -2 3 365.352 0.593 20 0 FCADHL O=C(c1ncccc1[O-])N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC000971900399 1171321698 /nfs/dbraw/zinc/32/16/98/1171321698.db2.gz RWMVBRHEBWXNMJ-ZYHUDNBSSA-N -2 3 355.354 0.270 20 0 FCADHL Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3c(C)nc[n-]c3=O)[C@H]2C)c1[O-] ZINC000989370266 1192822056 /nfs/dbraw/zinc/82/20/56/1192822056.db2.gz OOSXSLCONZTGQD-ZJUUUORDSA-N -2 3 360.374 0.261 20 0 FCADHL CCO[N-]C(=O)CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000846493703 1204634056 /nfs/dbraw/zinc/63/40/56/1204634056.db2.gz JOGGAOXQRAXNLQ-UHFFFAOYSA-N -2 3 362.342 0.738 20 0 FCADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001185568486 1206481966 /nfs/dbraw/zinc/48/19/66/1206481966.db2.gz VRPWVHRXFYACAT-UHFFFAOYSA-N -2 3 374.382 0.661 20 0 FCADHL Cc1cccc([O-])c1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001188659838 1207469419 /nfs/dbraw/zinc/46/94/19/1207469419.db2.gz PDPUBGZVACCXPQ-LBPRGKRZSA-N -2 3 360.370 0.356 20 0 FCADHL O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001095586257 1211418837 /nfs/dbraw/zinc/41/88/37/1211418837.db2.gz BWSUOJLTJBPLTL-SCVCMEIPSA-N -2 3 371.401 0.419 20 0 FCADHL O=C([O-])C[C@@H](O)C(=O)Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)CC2 ZINC001226614901 1225849155 /nfs/dbraw/zinc/84/91/55/1225849155.db2.gz MMZKOKVZJWBEFV-CQSZACIVSA-N -2 3 373.365 0.482 20 0 FCADHL C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000993924556 1250073731 /nfs/dbraw/zinc/07/37/31/1250073731.db2.gz ALEPSPIVMBSNAG-GHMZBOCLSA-N -2 3 357.370 0.421 20 0 FCADHL O=C(c1cnc(C2CC2)[n-]c1=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084706973 1258254565 /nfs/dbraw/zinc/25/45/65/1258254565.db2.gz SFMROBNHTUNKAM-ZYHUDNBSSA-N -2 3 371.401 0.230 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC001306539440 1263185388 /nfs/dbraw/zinc/18/53/88/1263185388.db2.gz OUWBXMSBRGEKQG-LLVKDONJSA-N -2 3 373.438 0.704 20 0 FCADHL C[C@H](C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1[O-] ZINC001574543889 1271328953 /nfs/dbraw/zinc/32/89/53/1271328953.db2.gz SYXRAKXWXMLWSK-NXEZZACHSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@H](C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1[O-] ZINC001574543889 1271328959 /nfs/dbraw/zinc/32/89/59/1271328959.db2.gz SYXRAKXWXMLWSK-NXEZZACHSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574543907 1271329124 /nfs/dbraw/zinc/32/91/24/1271329124.db2.gz SYXRAKXWXMLWSK-ZJUUUORDSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574543907 1271329133 /nfs/dbraw/zinc/32/91/33/1271329133.db2.gz SYXRAKXWXMLWSK-ZJUUUORDSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncccc1[O-] ZINC001574635801 1271434081 /nfs/dbraw/zinc/43/40/81/1271434081.db2.gz LAKJSGZLUPAUJP-SECBINFHSA-N -2 3 370.373 0.234 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574651255 1271448443 /nfs/dbraw/zinc/44/84/43/1271448443.db2.gz VOCJLJWADNLEOC-VIFPVBQESA-N -2 3 370.373 0.234 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574651255 1271448451 /nfs/dbraw/zinc/44/84/51/1271448451.db2.gz VOCJLJWADNLEOC-VIFPVBQESA-N -2 3 370.373 0.234 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575355417 1271982999 /nfs/dbraw/zinc/98/29/99/1271982999.db2.gz GUTZQZWPHGQSDJ-VHSXEESVSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575355417 1271983003 /nfs/dbraw/zinc/98/30/03/1271983003.db2.gz GUTZQZWPHGQSDJ-VHSXEESVSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CN1C(=O)c1ccccc1[O-] ZINC001576047977 1272775984 /nfs/dbraw/zinc/77/59/84/1272775984.db2.gz SLHCUSQKNQTPRW-MNOVXSKESA-N -2 3 366.385 0.499 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001576353596 1273179591 /nfs/dbraw/zinc/17/95/91/1273179591.db2.gz UDRMZQMBFPPRMK-GXFFZTMASA-N -2 3 366.385 0.935 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576353596 1273179595 /nfs/dbraw/zinc/17/95/95/1273179595.db2.gz UDRMZQMBFPPRMK-GXFFZTMASA-N -2 3 366.385 0.935 20 0 FCADHL CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1nccnc1-c1nnn[n-]1 ZINC001576850099 1273801236 /nfs/dbraw/zinc/80/12/36/1273801236.db2.gz ACTCELUCILUVKY-QMMMGPOBSA-N -2 3 358.366 0.014 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576916216 1273931697 /nfs/dbraw/zinc/93/16/97/1273931697.db2.gz CGUJDCONWOZUMJ-NSHDSACASA-N -2 3 354.374 0.983 20 0 FCADHL CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC001577617769 1274593957 /nfs/dbraw/zinc/59/39/57/1274593957.db2.gz LDGKBXKXHKVIMJ-UHFFFAOYSA-N -2 3 371.405 0.645 20 0 FCADHL CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC001577617769 1274593963 /nfs/dbraw/zinc/59/39/63/1274593963.db2.gz LDGKBXKXHKVIMJ-UHFFFAOYSA-N -2 3 371.405 0.645 20 0 FCADHL CCCN(CCNC(=O)c1ncccc1[O-])c1ccc(-c2nnn[n-]2)nn1 ZINC001577658036 1274667407 /nfs/dbraw/zinc/66/74/07/1274667407.db2.gz MPFDEEFTQHFRON-UHFFFAOYSA-N -2 3 369.389 0.404 20 0 FCADHL CCCN(CCNC(=O)c1ncccc1[O-])c1ccc(-c2nn[n-]n2)nn1 ZINC001577658036 1274667420 /nfs/dbraw/zinc/66/74/20/1274667420.db2.gz MPFDEEFTQHFRON-UHFFFAOYSA-N -2 3 369.389 0.404 20 0 FCADHL CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc(-c2nn[n-]n2)cn1 ZINC001578417405 1275786322 /nfs/dbraw/zinc/78/63/22/1275786322.db2.gz JWCZVVIZZAZYHR-UHFFFAOYSA-N -2 3 359.437 0.104 20 0 FCADHL CCn1ncn([N-]C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1=O ZINC001578828633 1276339535 /nfs/dbraw/zinc/33/95/35/1276339535.db2.gz RGXIXWIMNJEYNH-UHFFFAOYSA-N -2 3 369.172 0.936 20 0 FCADHL CN(CCN(C)c1ncc(-c2nnn[n-]2)cc1F)C(=O)c1ncccc1[O-] ZINC001579156505 1276898417 /nfs/dbraw/zinc/89/84/17/1276898417.db2.gz AIDZHPXINIXDCU-UHFFFAOYSA-N -2 3 372.364 0.710 20 0 FCADHL CN(CCN(C)c1ncc(-c2nn[n-]n2)cc1F)C(=O)c1ncccc1[O-] ZINC001579156505 1276898435 /nfs/dbraw/zinc/89/84/35/1276898435.db2.gz AIDZHPXINIXDCU-UHFFFAOYSA-N -2 3 372.364 0.710 20 0 FCADHL COC(=O)c1ccc(NCc2cc(=O)[n-]c(SC)n2)c(-c2nnn[n-]2)n1 ZINC001579485438 1277395630 /nfs/dbraw/zinc/39/56/30/1277395630.db2.gz XTCPLOMNXLAPMR-UHFFFAOYSA-N -2 3 374.386 0.878 20 0 FCADHL COCCn1c(=O)cc([O-])nc1SCc1ccc(-c2nnn[n-]2)o1 ZINC001579817753 1277922791 /nfs/dbraw/zinc/92/27/91/1277922791.db2.gz OXXUQXRGNLWBFL-UHFFFAOYSA-N -2 3 350.360 0.661 20 0 FCADHL COCCn1c(=O)cc([O-])nc1SCc1ccc(-c2nn[n-]n2)o1 ZINC001579817753 1277922796 /nfs/dbraw/zinc/92/27/96/1277922796.db2.gz OXXUQXRGNLWBFL-UHFFFAOYSA-N -2 3 350.360 0.661 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001603160270 1287316441 /nfs/dbraw/zinc/31/64/41/1287316441.db2.gz FBRMSVRPJPQQAZ-UHFFFAOYSA-N -2 3 357.296 0.335 20 0 FCADHL CC(C)CS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001603302397 1287350671 /nfs/dbraw/zinc/35/06/71/1287350671.db2.gz LUIWKEBJIVRBML-JTQLQIEISA-N -2 3 353.404 0.736 20 0 FCADHL CC(C)CS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001603302397 1287350677 /nfs/dbraw/zinc/35/06/77/1287350677.db2.gz LUIWKEBJIVRBML-JTQLQIEISA-N -2 3 353.404 0.736 20 0 FCADHL CC(C)N(CC(=O)[O-])S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001603318722 1287354574 /nfs/dbraw/zinc/35/45/74/1287354574.db2.gz FRMYNZHTOJQCTD-UHFFFAOYSA-N -2 3 357.367 0.631 20 0 FCADHL CC(C)N(CC(=O)[O-])S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001603318722 1287354579 /nfs/dbraw/zinc/35/45/79/1287354579.db2.gz FRMYNZHTOJQCTD-UHFFFAOYSA-N -2 3 357.367 0.631 20 0 FCADHL CC(C)(C)N1C[C@@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1=O ZINC001603344217 1287358941 /nfs/dbraw/zinc/35/89/41/1287358941.db2.gz VQPKIMDNBNPDDW-MRVPVSSYSA-N -2 3 361.445 0.767 20 0 FCADHL CC(C)(C)OC(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001603413162 1287369306 /nfs/dbraw/zinc/36/93/06/1287369306.db2.gz KDVBUEBBKCOSQY-SECBINFHSA-N -2 3 374.419 0.786 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581391512 1279822095 /nfs/dbraw/zinc/82/20/95/1279822095.db2.gz KAUNUJPOSFWVQC-JTQLQIEISA-N -2 3 369.389 0.255 20 0 FCADHL Cc1n[nH]c(C(=O)NCC=CCNc2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581391904 1279823313 /nfs/dbraw/zinc/82/33/13/1279823313.db2.gz ORBHPKPAIAEAPA-NSCUHMNNSA-N -2 3 355.362 0.397 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)c1[O-] ZINC001581391815 1279823700 /nfs/dbraw/zinc/82/37/00/1279823700.db2.gz XNYHPLMAQSSKJA-JGVFFNPUSA-N -2 3 372.393 0.403 20 0 FCADHL Cc1n[nH]c(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)c1[O-] ZINC001581392054 1279824333 /nfs/dbraw/zinc/82/43/33/1279824333.db2.gz ULLNTJXRPJGJGC-UHFFFAOYSA-N -2 3 370.377 0.158 20 0 FCADHL Cc1noc(C2([N-]S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC001581632147 1280291728 /nfs/dbraw/zinc/29/17/28/1280291728.db2.gz APEBBEYGJFHKMX-UHFFFAOYSA-N -2 3 365.350 0.665 20 0 FCADHL C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1ncccc1[O-] ZINC001603563364 1287425645 /nfs/dbraw/zinc/42/56/45/1287425645.db2.gz UMRLTBFTTZTMGA-SNVBAGLBSA-N -2 3 354.374 0.935 20 0 FCADHL C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1ncccc1[O-] ZINC001603563364 1287425651 /nfs/dbraw/zinc/42/56/51/1287425651.db2.gz UMRLTBFTTZTMGA-SNVBAGLBSA-N -2 3 354.374 0.935 20 0 FCADHL O=C(CCCn1c(=O)[n-][nH]c1=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001582048253 1280970003 /nfs/dbraw/zinc/97/00/03/1280970003.db2.gz CTLBPLHBRRHYLP-UHFFFAOYSA-N -2 3 356.346 0.192 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(-c2nnn[n-]2)cc1F ZINC001582110567 1281062405 /nfs/dbraw/zinc/06/24/05/1281062405.db2.gz MRKYZTLYGRYBSJ-UHFFFAOYSA-N -2 3 371.332 0.153 20 0 FCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001603707788 1287476569 /nfs/dbraw/zinc/47/65/69/1287476569.db2.gz IMNCABFGRBCNIS-JTQLQIEISA-N -2 3 361.358 0.384 20 0 FCADHL O=C(NC1CC(CNc2ccnc(-c3nnn[n-]3)n2)C1)c1ccccc1[O-] ZINC001582258066 1281219867 /nfs/dbraw/zinc/21/98/67/1281219867.db2.gz JROHAXYHGXSUHE-UHFFFAOYSA-N -2 3 366.385 0.405 20 0 FCADHL O=C(NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)c1ncccc1[O-] ZINC001582445718 1281543794 /nfs/dbraw/zinc/54/37/94/1281543794.db2.gz BKVPHWJZQDJTQT-NSHDSACASA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)c1ncccc1[O-] ZINC001582445718 1281543812 /nfs/dbraw/zinc/54/38/12/1281543812.db2.gz BKVPHWJZQDJTQT-NSHDSACASA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NC[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)n1)c1ccccc1[O-] ZINC001582447765 1281548555 /nfs/dbraw/zinc/54/85/55/1281548555.db2.gz SXCNSLLFOJQALK-LLVKDONJSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001603830183 1287509920 /nfs/dbraw/zinc/50/99/20/1287509920.db2.gz HAMKMETUWJIOPL-KWQFWETISA-N -2 3 369.378 0.631 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001603830183 1287509923 /nfs/dbraw/zinc/50/99/23/1287509923.db2.gz HAMKMETUWJIOPL-KWQFWETISA-N -2 3 369.378 0.631 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582608995 1281801823 /nfs/dbraw/zinc/80/18/23/1281801823.db2.gz VDYUMFTXPATERY-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ncccc1[O-] ZINC001582608995 1281801825 /nfs/dbraw/zinc/80/18/25/1281801825.db2.gz VDYUMFTXPATERY-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=S(=O)([N-]CCc1cnoc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582795178 1282015546 /nfs/dbraw/zinc/01/55/46/1282015546.db2.gz UFOXVUSMIQAKDK-UHFFFAOYSA-N -2 3 356.314 0.654 20 0 FCADHL O=c1cc(CN2CCOC[C@H]2C(F)(F)F)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814514 1282036326 /nfs/dbraw/zinc/03/63/26/1282036326.db2.gz NUEUSTQNMSLKPN-VIFPVBQESA-N -2 3 370.295 0.378 20 0 FCADHL O=c1cc(CN2CC[C@@H](C(F)(F)F)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814693 1282036765 /nfs/dbraw/zinc/03/67/65/1282036765.db2.gz RHHYXTYCVYXGMT-SSDOTTSWSA-N -2 3 354.296 0.999 20 0 FCADHL CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)[N-]OCCCOC ZINC001609243151 1289016573 /nfs/dbraw/zinc/01/65/73/1289016573.db2.gz GKILZNMFBCNXKS-UHFFFAOYSA-N -2 3 364.362 0.288 20 0 FCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]OCCCOC ZINC001609243151 1289016579 /nfs/dbraw/zinc/01/65/79/1289016579.db2.gz GKILZNMFBCNXKS-UHFFFAOYSA-N -2 3 364.362 0.288 20 0 FCADHL CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCC(=O)[O-] ZINC001589251402 1282820421 /nfs/dbraw/zinc/82/04/21/1282820421.db2.gz LDPQARCLWADWOE-UHFFFAOYSA-N -2 3 363.378 0.343 20 0 FCADHL CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCC(=O)[O-] ZINC001589251402 1282820425 /nfs/dbraw/zinc/82/04/25/1282820425.db2.gz LDPQARCLWADWOE-UHFFFAOYSA-N -2 3 363.378 0.343 20 0 FCADHL CC(C)(Cn1[n-]c(-c2cccc(-c3nn[n-]n3)c2)cc1=O)S(C)(=O)=O ZINC001589278655 1282825401 /nfs/dbraw/zinc/82/54/01/1282825401.db2.gz TZJAITBKELOGGI-UHFFFAOYSA-N -2 3 362.415 0.626 20 0 FCADHL CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC001589288479 1282832177 /nfs/dbraw/zinc/83/21/77/1282832177.db2.gz SYUSRBNNSBSTMW-UHFFFAOYSA-N -2 3 359.795 0.909 20 0 FCADHL CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC001589288479 1282832180 /nfs/dbraw/zinc/83/21/80/1282832180.db2.gz SYUSRBNNSBSTMW-UHFFFAOYSA-N -2 3 359.795 0.909 20 0 FCADHL CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001589440296 1282879400 /nfs/dbraw/zinc/87/94/00/1282879400.db2.gz SQCCAXDRMDWZAY-GFCCVEGCSA-N -2 3 371.394 0.925 20 0 FCADHL CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001589440296 1282879410 /nfs/dbraw/zinc/87/94/10/1282879410.db2.gz SQCCAXDRMDWZAY-GFCCVEGCSA-N -2 3 371.394 0.925 20 0 FCADHL CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001589440297 1282879878 /nfs/dbraw/zinc/87/98/78/1282879878.db2.gz SQCCAXDRMDWZAY-LBPRGKRZSA-N -2 3 371.394 0.925 20 0 FCADHL CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001589440297 1282879893 /nfs/dbraw/zinc/87/98/93/1282879893.db2.gz SQCCAXDRMDWZAY-LBPRGKRZSA-N -2 3 371.394 0.925 20 0 FCADHL CC(C)[C@@](C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(N)=O ZINC001589427936 1282880292 /nfs/dbraw/zinc/88/02/92/1282880292.db2.gz FEHWPIZLTYOOOS-CYBMUJFWSA-N -2 3 374.373 0.323 20 0 FCADHL CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589456637 1282887090 /nfs/dbraw/zinc/88/70/90/1282887090.db2.gz JMXVLMLFNQSYNE-GFCCVEGCSA-N -2 3 353.404 0.643 20 0 FCADHL C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001604305686 1287603840 /nfs/dbraw/zinc/60/38/40/1287603840.db2.gz HMRXJJXROIQRRC-SPFNVWMYSA-N -2 3 351.359 0.499 20 0 FCADHL CC(C)C[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589556613 1282908411 /nfs/dbraw/zinc/90/84/11/1282908411.db2.gz WWKFUOWHSQPJRB-SECBINFHSA-N -2 3 368.419 0.673 20 0 FCADHL CC(C)C[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589556613 1282908423 /nfs/dbraw/zinc/90/84/23/1282908423.db2.gz WWKFUOWHSQPJRB-SECBINFHSA-N -2 3 368.419 0.673 20 0 FCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001589678308 1282941755 /nfs/dbraw/zinc/94/17/55/1282941755.db2.gz CWYSWKPZVCFYOF-UHFFFAOYSA-N -2 3 366.447 0.846 20 0 FCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001589678308 1282941763 /nfs/dbraw/zinc/94/17/63/1282941763.db2.gz CWYSWKPZVCFYOF-UHFFFAOYSA-N -2 3 366.447 0.846 20 0 FCADHL CC(C)OCCO[N-]C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001589749598 1282977128 /nfs/dbraw/zinc/97/71/28/1282977128.db2.gz YVHCUUQTFMPCND-UHFFFAOYSA-N -2 3 352.326 0.417 20 0 FCADHL CC(C)OCCO[N-]C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001589749598 1282977142 /nfs/dbraw/zinc/97/71/42/1282977142.db2.gz YVHCUUQTFMPCND-UHFFFAOYSA-N -2 3 352.326 0.417 20 0 FCADHL CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001604347990 1287610540 /nfs/dbraw/zinc/61/05/40/1287610540.db2.gz WURBMEUZVWYGRC-UHFFFAOYSA-N -2 3 374.373 0.338 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589792935 1283009969 /nfs/dbraw/zinc/00/99/69/1283009969.db2.gz LSZMGMJIJMZEFS-ZCFIWIBFSA-N -2 3 364.309 0.655 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589792935 1283009975 /nfs/dbraw/zinc/00/99/75/1283009975.db2.gz LSZMGMJIJMZEFS-ZCFIWIBFSA-N -2 3 364.309 0.655 20 0 FCADHL C[C@@H](CCCC(=O)[O-])NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001589804772 1283017712 /nfs/dbraw/zinc/01/77/12/1283017712.db2.gz LYWYZYJIOBQLIR-JTQLQIEISA-N -2 3 353.404 0.930 20 0 FCADHL C[C@@H](CCCC(=O)[O-])NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001589804772 1283017727 /nfs/dbraw/zinc/01/77/27/1283017727.db2.gz LYWYZYJIOBQLIR-JTQLQIEISA-N -2 3 353.404 0.930 20 0 FCADHL C[C@H](CCNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1)CC(=O)[O-] ZINC001589830573 1283071431 /nfs/dbraw/zinc/07/14/31/1283071431.db2.gz LZSNKXWCPNHBHY-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL C[C@H](CCNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)CC(=O)[O-] ZINC001589830573 1283071437 /nfs/dbraw/zinc/07/14/37/1283071437.db2.gz LZSNKXWCPNHBHY-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL C[C@H](CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001589845484 1283077703 /nfs/dbraw/zinc/07/77/03/1283077703.db2.gz IMORFABOCRHEMM-SSDOTTSWSA-N -2 3 359.795 0.861 20 0 FCADHL C[C@H](CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001589845484 1283077711 /nfs/dbraw/zinc/07/77/11/1283077711.db2.gz IMORFABOCRHEMM-SSDOTTSWSA-N -2 3 359.795 0.861 20 0 FCADHL CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001589850314 1283086346 /nfs/dbraw/zinc/08/63/46/1283086346.db2.gz HZTXDUQRZJTQPD-NSHDSACASA-N -2 3 374.401 0.441 20 0 FCADHL CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001589850314 1283086354 /nfs/dbraw/zinc/08/63/54/1283086354.db2.gz HZTXDUQRZJTQPD-NSHDSACASA-N -2 3 374.401 0.441 20 0 FCADHL C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC001589898154 1283114624 /nfs/dbraw/zinc/11/46/24/1283114624.db2.gz VWXAUGOLWWVJAR-ZWNOBZJWSA-N -2 3 365.415 0.280 20 0 FCADHL C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC001589898154 1283114625 /nfs/dbraw/zinc/11/46/25/1283114625.db2.gz VWXAUGOLWWVJAR-ZWNOBZJWSA-N -2 3 365.415 0.280 20 0 FCADHL C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001589980333 1283155791 /nfs/dbraw/zinc/15/57/91/1283155791.db2.gz LTHVXTKBAUWNFI-DTWKUNHWSA-N -2 3 355.362 0.833 20 0 FCADHL C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589997153 1283165316 /nfs/dbraw/zinc/16/53/16/1283165316.db2.gz RGDCBKNAPUBBBL-YGRLFVJLSA-N -2 3 374.401 0.333 20 0 FCADHL C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589997153 1283165320 /nfs/dbraw/zinc/16/53/20/1283165320.db2.gz RGDCBKNAPUBBBL-YGRLFVJLSA-N -2 3 374.401 0.333 20 0 FCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001609243871 1289017375 /nfs/dbraw/zinc/01/73/75/1289017375.db2.gz RJRKKCPGLHBLKU-AWEZNQCLSA-N -2 3 350.335 0.223 20 0 FCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C1(Cl)CC1 ZINC001590024178 1283180168 /nfs/dbraw/zinc/18/01/68/1283180168.db2.gz GDBOLAOQLHMKIU-MRVPVSSYSA-N -2 3 371.806 0.809 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001590071836 1283201935 /nfs/dbraw/zinc/20/19/35/1283201935.db2.gz ZFNGMNZBAXTEOV-AWEZNQCLSA-N -2 3 369.378 0.632 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001590071836 1283201939 /nfs/dbraw/zinc/20/19/39/1283201939.db2.gz ZFNGMNZBAXTEOV-AWEZNQCLSA-N -2 3 369.378 0.632 20 0 FCADHL CC1(C)CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H]1C(=O)[O-] ZINC001590100677 1283213491 /nfs/dbraw/zinc/21/34/91/1283213491.db2.gz UCPGKHQWCCBYOR-GFCCVEGCSA-N -2 3 365.415 0.882 20 0 FCADHL CC1(C)CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C(=O)[O-] ZINC001590100677 1283213499 /nfs/dbraw/zinc/21/34/99/1283213499.db2.gz UCPGKHQWCCBYOR-GFCCVEGCSA-N -2 3 365.415 0.882 20 0 FCADHL CC1(C)CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H]1C(=O)[O-] ZINC001590101029 1283214227 /nfs/dbraw/zinc/21/42/27/1283214227.db2.gz UCPGKHQWCCBYOR-LBPRGKRZSA-N -2 3 365.415 0.882 20 0 FCADHL CC1(C)CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1C(=O)[O-] ZINC001590101029 1283214231 /nfs/dbraw/zinc/21/42/31/1283214231.db2.gz UCPGKHQWCCBYOR-LBPRGKRZSA-N -2 3 365.415 0.882 20 0 FCADHL Cc1[n-]n(-c2cccc(-c3nn[n-]n3)c2)c(=O)c1[C@@H]1CCS(=O)(=O)C1 ZINC001590162560 1283254921 /nfs/dbraw/zinc/25/49/21/1283254921.db2.gz YZVXIQCLARHIEJ-DGCLKSJQSA-N -2 3 360.399 0.640 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H](C)O1 ZINC001590183267 1283289066 /nfs/dbraw/zinc/28/90/66/1283289066.db2.gz GHQIUAUZIDLILR-KBVBSXBZSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](C)O1 ZINC001590183267 1283289072 /nfs/dbraw/zinc/28/90/72/1283289072.db2.gz GHQIUAUZIDLILR-KBVBSXBZSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)O1 ZINC001590183692 1283290695 /nfs/dbraw/zinc/29/06/95/1283290695.db2.gz PUPUBEOFGFEYQN-GBIKHYSHSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)O1 ZINC001590183692 1283290704 /nfs/dbraw/zinc/29/07/04/1283290704.db2.gz PUPUBEOFGFEYQN-GBIKHYSHSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)O1 ZINC001590189893 1283295685 /nfs/dbraw/zinc/29/56/85/1283295685.db2.gz DFNFWMSIZNOTGO-SBMIAAHKSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)O1 ZINC001590189893 1283295690 /nfs/dbraw/zinc/29/56/90/1283295690.db2.gz DFNFWMSIZNOTGO-SBMIAAHKSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001590238074 1283369533 /nfs/dbraw/zinc/36/95/33/1283369533.db2.gz FNMJJKSKUJIKCR-NXEZZACHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001590238074 1283369545 /nfs/dbraw/zinc/36/95/45/1283369545.db2.gz FNMJJKSKUJIKCR-NXEZZACHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C(=O)[O-] ZINC001590272431 1283400493 /nfs/dbraw/zinc/40/04/93/1283400493.db2.gz PBJKEDNVJUWCJW-MFKMUULPSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C(=O)[O-] ZINC001590272431 1283400498 /nfs/dbraw/zinc/40/04/98/1283400498.db2.gz PBJKEDNVJUWCJW-MFKMUULPSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1C(=O)[O-] ZINC001590282018 1283409014 /nfs/dbraw/zinc/40/90/14/1283409014.db2.gz IJAAONISZXVGFR-MFKMUULPSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1C(=O)[O-] ZINC001590282018 1283409019 /nfs/dbraw/zinc/40/90/19/1283409019.db2.gz IJAAONISZXVGFR-MFKMUULPSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590326981 1283470498 /nfs/dbraw/zinc/47/04/98/1283470498.db2.gz YYVBENWZCHOAQY-CABZTGNLSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590326981 1283470507 /nfs/dbraw/zinc/47/05/07/1283470507.db2.gz YYVBENWZCHOAQY-CABZTGNLSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590335745 1283483579 /nfs/dbraw/zinc/48/35/79/1283483579.db2.gz OCGJTMPWLKBESG-XHSYRHOGSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590335745 1283483584 /nfs/dbraw/zinc/48/35/84/1283483584.db2.gz OCGJTMPWLKBESG-XHSYRHOGSA-N -2 3 365.415 0.731 20 0 FCADHL CC[C@](C)(CNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001590381925 1283508319 /nfs/dbraw/zinc/50/83/19/1283508319.db2.gz OPKIAODNUKDOJX-CQSZACIVSA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@](C)(CNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001590381925 1283508324 /nfs/dbraw/zinc/50/83/24/1283508324.db2.gz OPKIAODNUKDOJX-CQSZACIVSA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@@](C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001590382948 1283511757 /nfs/dbraw/zinc/51/17/57/1283511757.db2.gz XKVPZWZYOZLDHL-ZDUSSCGKSA-N -2 3 357.367 0.785 20 0 FCADHL CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590386326 1283514361 /nfs/dbraw/zinc/51/43/61/1283514361.db2.gz YWQFBPPRGZMRFJ-CQSZACIVSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590386326 1283514367 /nfs/dbraw/zinc/51/43/67/1283514367.db2.gz YWQFBPPRGZMRFJ-CQSZACIVSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590386325 1283514869 /nfs/dbraw/zinc/51/48/69/1283514869.db2.gz YWQFBPPRGZMRFJ-AWEZNQCLSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590386325 1283514875 /nfs/dbraw/zinc/51/48/75/1283514875.db2.gz YWQFBPPRGZMRFJ-AWEZNQCLSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@@H](C)CO[N-]C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590411482 1283523686 /nfs/dbraw/zinc/52/36/86/1283523686.db2.gz ZIVJHOBJRKEWQL-SNVBAGLBSA-N -2 3 368.419 0.239 20 0 FCADHL CC[C@@H](C)CO[N-]C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590411482 1283523698 /nfs/dbraw/zinc/52/36/98/1283523698.db2.gz ZIVJHOBJRKEWQL-SNVBAGLBSA-N -2 3 368.419 0.239 20 0 FCADHL CC[C@H](CCNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001590436428 1283534095 /nfs/dbraw/zinc/53/40/95/1283534095.db2.gz RCOWWXLRJIEATP-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@H](CCNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001590436428 1283534101 /nfs/dbraw/zinc/53/41/01/1283534101.db2.gz RCOWWXLRJIEATP-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC)C(=O)[O-] ZINC001590445851 1283542168 /nfs/dbraw/zinc/54/21/68/1283542168.db2.gz AMBCJCQYUAGIGT-QMMMGPOBSA-N -2 3 355.376 0.264 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC)C(=O)[O-] ZINC001590445851 1283542175 /nfs/dbraw/zinc/54/21/75/1283542175.db2.gz AMBCJCQYUAGIGT-QMMMGPOBSA-N -2 3 355.376 0.264 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590506313 1283576330 /nfs/dbraw/zinc/57/63/30/1283576330.db2.gz ZOOMRVNEXGSEIF-GXSJLCMTSA-N -2 3 352.376 0.278 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590506313 1283576338 /nfs/dbraw/zinc/57/63/38/1283576338.db2.gz ZOOMRVNEXGSEIF-GXSJLCMTSA-N -2 3 352.376 0.278 20 0 FCADHL CCCCS(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001590612069 1283648346 /nfs/dbraw/zinc/64/83/46/1283648346.db2.gz UQSSVKAFUYHLIQ-UHFFFAOYSA-N -2 3 352.420 0.792 20 0 FCADHL CCCCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001590612069 1283648363 /nfs/dbraw/zinc/64/83/63/1283648363.db2.gz UQSSVKAFUYHLIQ-UHFFFAOYSA-N -2 3 352.420 0.792 20 0 FCADHL CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N=c1nn[n-]n1CC ZINC001590629574 1283669422 /nfs/dbraw/zinc/66/94/22/1283669422.db2.gz ZVAQQHGIWXTCAB-UHFFFAOYSA-N -2 3 356.394 0.739 20 0 FCADHL CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N=c1nn[n-]n1CC ZINC001590629574 1283669440 /nfs/dbraw/zinc/66/94/40/1283669440.db2.gz ZVAQQHGIWXTCAB-UHFFFAOYSA-N -2 3 356.394 0.739 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590677014 1283725559 /nfs/dbraw/zinc/72/55/59/1283725559.db2.gz QPVZEKYUZMVLSG-SECBINFHSA-N -2 3 369.403 0.749 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590677014 1283725567 /nfs/dbraw/zinc/72/55/67/1283725567.db2.gz QPVZEKYUZMVLSG-SECBINFHSA-N -2 3 369.403 0.749 20 0 FCADHL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590681011 1283730682 /nfs/dbraw/zinc/73/06/82/1283730682.db2.gz OVIHDPUWXKLUQH-SNVBAGLBSA-N -2 3 353.404 0.739 20 0 FCADHL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590681011 1283730693 /nfs/dbraw/zinc/73/06/93/1283730693.db2.gz OVIHDPUWXKLUQH-SNVBAGLBSA-N -2 3 353.404 0.739 20 0 FCADHL CCOC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC001590785466 1283840523 /nfs/dbraw/zinc/84/05/23/1283840523.db2.gz OZIBCULUCPESSS-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL CCOC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC001590785466 1283840531 /nfs/dbraw/zinc/84/05/31/1283840531.db2.gz OZIBCULUCPESSS-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590867529 1283939412 /nfs/dbraw/zinc/93/94/12/1283939412.db2.gz FBQMNKNNVBXXGD-UFBFGSQYSA-N -2 3 371.394 0.925 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001590867529 1283939424 /nfs/dbraw/zinc/93/94/24/1283939424.db2.gz FBQMNKNNVBXXGD-UFBFGSQYSA-N -2 3 371.394 0.925 20 0 FCADHL CCc1cc(-c2nn[n-]n2)ccc1OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001590876739 1283944513 /nfs/dbraw/zinc/94/45/13/1283944513.db2.gz CVPOPPWZZIIXTO-UHFFFAOYSA-N -2 3 366.341 0.419 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001590966076 1284020017 /nfs/dbraw/zinc/02/00/17/1284020017.db2.gz RNBFTIRQTHWECP-UHFFFAOYSA-N -2 3 363.407 0.417 20 0 FCADHL CCn1nccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590969398 1284025285 /nfs/dbraw/zinc/02/52/85/1284025285.db2.gz KTBJOGIKZVWJSX-UHFFFAOYSA-N -2 3 361.387 0.343 20 0 FCADHL CCn1nccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590969398 1284025288 /nfs/dbraw/zinc/02/52/88/1284025288.db2.gz KTBJOGIKZVWJSX-UHFFFAOYSA-N -2 3 361.387 0.343 20 0 FCADHL CN(CC(C)(C)C(=O)[O-])S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001591042423 1284103091 /nfs/dbraw/zinc/10/30/91/1284103091.db2.gz GBTNBMJVGZUDFU-UHFFFAOYSA-N -2 3 371.394 0.878 20 0 FCADHL CCn1ncc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC001604620391 1287694751 /nfs/dbraw/zinc/69/47/51/1287694751.db2.gz KEWYKEJJGTZAET-UHFFFAOYSA-N -2 3 370.345 0.235 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cccnc2-c2nnn[n-]2)o1 ZINC001591219996 1284361950 /nfs/dbraw/zinc/36/19/50/1284361950.db2.gz IGBQHTHCZTZOOG-UHFFFAOYSA-N -2 3 364.343 0.120 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cn1 ZINC001591298342 1284450642 /nfs/dbraw/zinc/45/06/42/1284450642.db2.gz LKLKTAYICDJOEU-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001591316127 1284465547 /nfs/dbraw/zinc/46/55/47/1284465547.db2.gz ANZULJOYCQPRRQ-UHFFFAOYSA-N -2 3 359.433 0.803 20 0 FCADHL COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001591316127 1284465550 /nfs/dbraw/zinc/46/55/50/1284465550.db2.gz ANZULJOYCQPRRQ-UHFFFAOYSA-N -2 3 359.433 0.803 20 0 FCADHL CN(C(=O)c1ccccc1[O-])[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001604659986 1287715389 /nfs/dbraw/zinc/71/53/89/1287715389.db2.gz STKAZCHDMFVAPW-LLVKDONJSA-N -2 3 366.385 0.713 20 0 FCADHL CO[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001591347343 1284485278 /nfs/dbraw/zinc/48/52/78/1284485278.db2.gz FBCBARDONSHRQX-STQMWFEESA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001591347343 1284485281 /nfs/dbraw/zinc/48/52/81/1284485281.db2.gz FBCBARDONSHRQX-STQMWFEESA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001591352910 1284488397 /nfs/dbraw/zinc/48/83/97/1284488397.db2.gz CUSIGIHKDLGPFQ-MWLCHTKSSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001591352910 1284488407 /nfs/dbraw/zinc/48/84/07/1284488407.db2.gz CUSIGIHKDLGPFQ-MWLCHTKSSA-N -2 3 366.403 0.272 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001591370920 1284508204 /nfs/dbraw/zinc/50/82/04/1284508204.db2.gz IUJXEIDSYRLEDW-RMKNXTFCSA-N -2 3 367.387 0.273 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001591370920 1284508211 /nfs/dbraw/zinc/50/82/11/1284508211.db2.gz IUJXEIDSYRLEDW-RMKNXTFCSA-N -2 3 367.387 0.273 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591376311 1284513483 /nfs/dbraw/zinc/51/34/83/1284513483.db2.gz SHDICNZMMOPVCE-WDEREUQCSA-N -2 3 367.431 0.526 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591376311 1284513492 /nfs/dbraw/zinc/51/34/92/1284513492.db2.gz SHDICNZMMOPVCE-WDEREUQCSA-N -2 3 367.431 0.526 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2cc(C)c(-c3nnn[n-]3)cn2)cn1 ZINC001591450728 1284612102 /nfs/dbraw/zinc/61/21/02/1284612102.db2.gz SRUBNPNLMCSXLT-UHFFFAOYSA-N -2 3 364.391 0.214 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2cc(C)c(-c3nn[n-]n3)cn2)cn1 ZINC001591450728 1284612118 /nfs/dbraw/zinc/61/21/18/1284612118.db2.gz SRUBNPNLMCSXLT-UHFFFAOYSA-N -2 3 364.391 0.214 20 0 FCADHL CO[N-]C(=O)CNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591467597 1284641126 /nfs/dbraw/zinc/64/11/26/1284641126.db2.gz RKSXMEDBDWLXAM-UHFFFAOYSA-N -2 3 357.374 0.343 20 0 FCADHL CO[N-]C(=O)CNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591467597 1284641138 /nfs/dbraw/zinc/64/11/38/1284641138.db2.gz RKSXMEDBDWLXAM-UHFFFAOYSA-N -2 3 357.374 0.343 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)C(=O)[N-]OCc1cccnc1 ZINC001591490678 1284667381 /nfs/dbraw/zinc/66/73/81/1284667381.db2.gz WRFJOGSVLUOTOW-UHFFFAOYSA-N -2 3 369.341 0.457 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)C(=O)[N-]OCc1cccnc1 ZINC001591490678 1284667393 /nfs/dbraw/zinc/66/73/93/1284667393.db2.gz WRFJOGSVLUOTOW-UHFFFAOYSA-N -2 3 369.341 0.457 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC[C@H](C)C(=O)[O-] ZINC001591504016 1284687232 /nfs/dbraw/zinc/68/72/32/1284687232.db2.gz FOODVVBZQYNRSC-QMMMGPOBSA-N -2 3 355.376 0.264 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC[C@H](C)C(=O)[O-] ZINC001591504016 1284687237 /nfs/dbraw/zinc/68/72/37/1284687237.db2.gz FOODVVBZQYNRSC-QMMMGPOBSA-N -2 3 355.376 0.264 20 0 FCADHL COc1cc(CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001591530412 1284719280 /nfs/dbraw/zinc/71/92/80/1284719280.db2.gz STDGZJVSRPDSHU-INIZCTEOSA-N -2 3 360.374 0.882 20 0 FCADHL COc1cc(CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001591530412 1284719293 /nfs/dbraw/zinc/71/92/93/1284719293.db2.gz STDGZJVSRPDSHU-INIZCTEOSA-N -2 3 360.374 0.882 20 0 FCADHL COc1nn(C)cc1[N-]S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001591670516 1284801898 /nfs/dbraw/zinc/80/18/98/1284801898.db2.gz SMHCHRJUKOBFCP-UHFFFAOYSA-N -2 3 350.364 0.113 20 0 FCADHL COc1nn(C)cc1[N-]S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001591670516 1284801908 /nfs/dbraw/zinc/80/19/08/1284801908.db2.gz SMHCHRJUKOBFCP-UHFFFAOYSA-N -2 3 350.364 0.113 20 0 FCADHL CS(=O)(=O)[N-]C(=O)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001591678265 1284814626 /nfs/dbraw/zinc/81/46/26/1284814626.db2.gz GDROJLKJMVRPRR-UHFFFAOYSA-N -2 3 368.394 0.298 20 0 FCADHL CSCCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591700279 1284838737 /nfs/dbraw/zinc/83/87/37/1284838737.db2.gz QOMDSMIUQDSQSP-UHFFFAOYSA-N -2 3 371.444 0.446 20 0 FCADHL CSCCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591700279 1284838740 /nfs/dbraw/zinc/83/87/40/1284838740.db2.gz QOMDSMIUQDSQSP-UHFFFAOYSA-N -2 3 371.444 0.446 20 0 FCADHL CSCCO[N-]C(=O)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001591701505 1284840810 /nfs/dbraw/zinc/84/08/10/1284840810.db2.gz RZSKJOJOFFAOTM-LBPRGKRZSA-N -2 3 362.415 0.381 20 0 FCADHL CSCCO[N-]C(=O)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001591701505 1284840816 /nfs/dbraw/zinc/84/08/16/1284840816.db2.gz RZSKJOJOFFAOTM-LBPRGKRZSA-N -2 3 362.415 0.381 20 0 FCADHL CSCCO[N-]C(=O)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001591701503 1284844075 /nfs/dbraw/zinc/84/40/75/1284844075.db2.gz RSWITPGHYWWXJP-VIFPVBQESA-N -2 3 350.404 0.455 20 0 FCADHL CSCCO[N-]C(=O)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001591701503 1284844087 /nfs/dbraw/zinc/84/40/87/1284844087.db2.gz RSWITPGHYWWXJP-VIFPVBQESA-N -2 3 350.404 0.455 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)N2CCCCC2)cccc1-c1nnn[n-]1 ZINC001591810041 1284920288 /nfs/dbraw/zinc/92/02/88/1284920288.db2.gz OGCISUFTCOMPQO-UHFFFAOYSA-N -2 3 350.404 0.636 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)N2CCCCC2)cccc1-c1nn[n-]n1 ZINC001591810041 1284920301 /nfs/dbraw/zinc/92/03/01/1284920301.db2.gz OGCISUFTCOMPQO-UHFFFAOYSA-N -2 3 350.404 0.636 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001591871755 1284959879 /nfs/dbraw/zinc/95/98/79/1284959879.db2.gz CUCOFBUGGVXBEX-LLVKDONJSA-N -2 3 353.404 0.810 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001591871755 1284959888 /nfs/dbraw/zinc/95/98/88/1284959888.db2.gz CUCOFBUGGVXBEX-LLVKDONJSA-N -2 3 353.404 0.810 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCc1cc(C(=O)[O-])co1 ZINC001591872442 1284960672 /nfs/dbraw/zinc/96/06/72/1284960672.db2.gz LZUBBTQOVRRENT-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCc1cc(C(=O)[O-])co1 ZINC001591872442 1284960681 /nfs/dbraw/zinc/96/06/81/1284960681.db2.gz LZUBBTQOVRRENT-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC001591874181 1284963381 /nfs/dbraw/zinc/96/33/81/1284963381.db2.gz XNMZWHYFVFSMQD-ONGXEEELSA-N -2 3 351.388 0.801 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC001591874181 1284963383 /nfs/dbraw/zinc/96/33/83/1284963383.db2.gz XNMZWHYFVFSMQD-ONGXEEELSA-N -2 3 351.388 0.801 20 0 FCADHL Cc1cc(C)nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001591956923 1285024741 /nfs/dbraw/zinc/02/47/41/1285024741.db2.gz RJTWSCYRLLHKQK-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1cc(C)nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001591956923 1285024747 /nfs/dbraw/zinc/02/47/47/1285024747.db2.gz RJTWSCYRLLHKQK-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001591989234 1285042532 /nfs/dbraw/zinc/04/25/32/1285042532.db2.gz OSDMPOMSKRRIJD-JTQLQIEISA-N -2 3 355.351 0.552 20 0 FCADHL Cc1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc(-c2nnn[n-]2)c1 ZINC001592015115 1285069787 /nfs/dbraw/zinc/06/97/87/1285069787.db2.gz ZOYIUWRKEDIPGX-CYBMUJFWSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc(-c2nn[n-]n2)c1 ZINC001592015115 1285069791 /nfs/dbraw/zinc/06/97/91/1285069791.db2.gz ZOYIUWRKEDIPGX-CYBMUJFWSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@@H]2C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592064210 1285101303 /nfs/dbraw/zinc/10/13/03/1285101303.db2.gz WBBMPDHZHDJSGN-LBPRGKRZSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@@H]2C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592064210 1285101313 /nfs/dbraw/zinc/10/13/13/1285101313.db2.gz WBBMPDHZHDJSGN-LBPRGKRZSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)ccc1-c1nnn[n-]1 ZINC001592064126 1285102625 /nfs/dbraw/zinc/10/26/25/1285102625.db2.gz TYNNCHCNKWGSFQ-SKDRFNHKSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)ccc1-c1nn[n-]n1 ZINC001592064126 1285102627 /nfs/dbraw/zinc/10/26/27/1285102627.db2.gz TYNNCHCNKWGSFQ-SKDRFNHKSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)ccc1-c1nnn[n-]1 ZINC001592065304 1285104190 /nfs/dbraw/zinc/10/41/90/1285104190.db2.gz IRJMBFMEDQEDSX-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1cc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)ccc1-c1nn[n-]n1 ZINC001592065304 1285104200 /nfs/dbraw/zinc/10/42/00/1285104200.db2.gz IRJMBFMEDQEDSX-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001592064932 1285104660 /nfs/dbraw/zinc/10/46/60/1285104660.db2.gz OWXSRYSOOZMLOV-LLVKDONJSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001592064932 1285104665 /nfs/dbraw/zinc/10/46/65/1285104665.db2.gz OWXSRYSOOZMLOV-LLVKDONJSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592064992 1285105873 /nfs/dbraw/zinc/10/58/73/1285105873.db2.gz QQYAPTSLJFUXEB-GFCCVEGCSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592064992 1285105881 /nfs/dbraw/zinc/10/58/81/1285105881.db2.gz QQYAPTSLJFUXEB-GFCCVEGCSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001592108996 1285143842 /nfs/dbraw/zinc/14/38/42/1285143842.db2.gz MZFHAKUAOBJJTM-SECBINFHSA-N -2 3 373.341 0.658 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001592109166 1285143967 /nfs/dbraw/zinc/14/39/67/1285143967.db2.gz DCKQDZPYBAKGIW-NTZNESFSSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001592109166 1285143972 /nfs/dbraw/zinc/14/39/72/1285143972.db2.gz DCKQDZPYBAKGIW-NTZNESFSSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC1(CC(=O)[O-])CC1 ZINC001592110754 1285146715 /nfs/dbraw/zinc/14/67/15/1285146715.db2.gz XFJPRDPXRVFVDV-UHFFFAOYSA-N -2 3 351.388 0.708 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC1(CC(=O)[O-])CC1 ZINC001592110754 1285146720 /nfs/dbraw/zinc/14/67/20/1285146720.db2.gz XFJPRDPXRVFVDV-UHFFFAOYSA-N -2 3 351.388 0.708 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001592190823 1285175178 /nfs/dbraw/zinc/17/51/78/1285175178.db2.gz YRXOZOKBCZEVLX-UHFFFAOYSA-N -2 3 374.382 0.454 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001592190823 1285175182 /nfs/dbraw/zinc/17/51/82/1285175182.db2.gz YRXOZOKBCZEVLX-UHFFFAOYSA-N -2 3 374.382 0.454 20 0 FCADHL Cc1cccc(S(=O)(=O)NCCSCC(=O)[O-])c1-c1nnn[n-]1 ZINC001592240200 1285196724 /nfs/dbraw/zinc/19/67/24/1285196724.db2.gz WVFKAYZPHTXYMU-UHFFFAOYSA-N -2 3 357.417 0.271 20 0 FCADHL Cc1cccc(S(=O)(=O)NCCSCC(=O)[O-])c1-c1nn[n-]n1 ZINC001592240200 1285196730 /nfs/dbraw/zinc/19/67/30/1285196730.db2.gz WVFKAYZPHTXYMU-UHFFFAOYSA-N -2 3 357.417 0.271 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1-c1nnn[n-]1 ZINC001592241666 1285197702 /nfs/dbraw/zinc/19/77/02/1285197702.db2.gz SEIGAFVDLFFVBI-SNVBAGLBSA-N -2 3 367.387 0.039 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1-c1nn[n-]n1 ZINC001592241666 1285197706 /nfs/dbraw/zinc/19/77/06/1285197706.db2.gz SEIGAFVDLFFVBI-SNVBAGLBSA-N -2 3 367.387 0.039 20 0 FCADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c(C)s1 ZINC001592350199 1285265785 /nfs/dbraw/zinc/26/57/85/1285265785.db2.gz RLSDTDVFFMRFQW-UHFFFAOYSA-N -2 3 365.400 0.454 20 0 FCADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c(C)s1 ZINC001592350199 1285265790 /nfs/dbraw/zinc/26/57/90/1285265790.db2.gz RLSDTDVFFMRFQW-UHFFFAOYSA-N -2 3 365.400 0.454 20 0 FCADHL Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001592406055 1285317939 /nfs/dbraw/zinc/31/79/39/1285317939.db2.gz ZTBQCQNAASTDEE-UHFFFAOYSA-N -2 3 354.355 0.725 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC3(CCC3)[C@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592412116 1285325688 /nfs/dbraw/zinc/32/56/88/1285325688.db2.gz NXFMKRDNYYIYTA-LLVKDONJSA-N -2 3 364.387 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC3(CCC3)[C@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592412116 1285325692 /nfs/dbraw/zinc/32/56/92/1285325692.db2.gz NXFMKRDNYYIYTA-LLVKDONJSA-N -2 3 364.387 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592413591 1285330454 /nfs/dbraw/zinc/33/04/54/1285330454.db2.gz MIJUVQHQWQPUHU-NSHDSACASA-N -2 3 354.392 0.348 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592413591 1285330466 /nfs/dbraw/zinc/33/04/66/1285330466.db2.gz MIJUVQHQWQPUHU-NSHDSACASA-N -2 3 354.392 0.348 20 0 FCADHL Cc1ncc(S(=O)(=O)N2C[C@@H]3C[C@@]2(C(=O)[O-])[C@@H]3C)cc1-c1nnn[n-]1 ZINC001592414025 1285336792 /nfs/dbraw/zinc/33/67/92/1285336792.db2.gz YBYRCWKAKMANIL-CMCSKWMBSA-N -2 3 364.387 0.054 20 0 FCADHL Cc1ncc(S(=O)(=O)N2C[C@@H]3C[C@@]2(C(=O)[O-])[C@@H]3C)cc1-c1nn[n-]n1 ZINC001592414025 1285336804 /nfs/dbraw/zinc/33/68/04/1285336804.db2.gz YBYRCWKAKMANIL-CMCSKWMBSA-N -2 3 364.387 0.054 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1-c1nnn[n-]1 ZINC001592415278 1285338219 /nfs/dbraw/zinc/33/82/19/1285338219.db2.gz TYMJZUIZADDLNL-UHFFFAOYSA-N -2 3 373.398 0.399 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1-c1nn[n-]n1 ZINC001592415278 1285338228 /nfs/dbraw/zinc/33/82/28/1285338228.db2.gz TYMJZUIZADDLNL-UHFFFAOYSA-N -2 3 373.398 0.399 20 0 FCADHL Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001592436375 1285367115 /nfs/dbraw/zinc/36/71/15/1285367115.db2.gz YMZWIPRNKQTGSL-FPLPWBNLSA-N -2 3 373.398 0.427 20 0 FCADHL Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001592436375 1285367124 /nfs/dbraw/zinc/36/71/24/1285367124.db2.gz YMZWIPRNKQTGSL-FPLPWBNLSA-N -2 3 373.398 0.427 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)n1 ZINC001592560174 1285472059 /nfs/dbraw/zinc/47/20/59/1285472059.db2.gz QFHMSFWWPSDOAP-SECBINFHSA-N -2 3 366.234 0.926 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cn1 ZINC001592566670 1285477828 /nfs/dbraw/zinc/47/78/28/1285477828.db2.gz FDKVJPGDHDERCS-VOTSOKGWSA-N -2 3 373.398 0.260 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cn1 ZINC001592566670 1285477836 /nfs/dbraw/zinc/47/78/36/1285477836.db2.gz FDKVJPGDHDERCS-VOTSOKGWSA-N -2 3 373.398 0.260 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592824497 1285738691 /nfs/dbraw/zinc/73/86/91/1285738691.db2.gz WLADWFGLEJFZAD-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592824497 1285738697 /nfs/dbraw/zinc/73/86/97/1285738697.db2.gz WLADWFGLEJFZAD-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592833402 1285745207 /nfs/dbraw/zinc/74/52/07/1285745207.db2.gz COVRBXVNWLTXIZ-SNVBAGLBSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592833402 1285745211 /nfs/dbraw/zinc/74/52/11/1285745211.db2.gz COVRBXVNWLTXIZ-SNVBAGLBSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC001592891679 1285797986 /nfs/dbraw/zinc/79/79/86/1285797986.db2.gz PYPFEZIRDSOMOI-UHFFFAOYSA-N -2 3 373.341 0.489 20 0 FCADHL CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC001609270382 1289033636 /nfs/dbraw/zinc/03/36/36/1289033636.db2.gz TULYQRSAHDUNEL-UHFFFAOYSA-N -2 3 369.798 0.505 20 0 FCADHL CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC001609270382 1289033642 /nfs/dbraw/zinc/03/36/42/1289033642.db2.gz TULYQRSAHDUNEL-UHFFFAOYSA-N -2 3 369.798 0.505 20 0 FCADHL O=C(NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)c1ncccc1[O-] ZINC001592990075 1285876210 /nfs/dbraw/zinc/87/62/10/1285876210.db2.gz WROZOYFQIAQPOZ-UHFFFAOYSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)c1ncccc1[O-] ZINC001592990075 1285876214 /nfs/dbraw/zinc/87/62/14/1285876214.db2.gz WROZOYFQIAQPOZ-UHFFFAOYSA-N -2 3 366.385 0.761 20 0 FCADHL O=C([O-])[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001593005125 1285886609 /nfs/dbraw/zinc/88/66/09/1285886609.db2.gz TVIFAXZKVPBOFO-GFCCVEGCSA-N -2 3 358.358 0.422 20 0 FCADHL O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593170274 1286026141 /nfs/dbraw/zinc/02/61/41/1286026141.db2.gz IYZRLCGWCHHYJH-MRVPVSSYSA-N -2 3 357.779 0.369 20 0 FCADHL O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001593170274 1286026143 /nfs/dbraw/zinc/02/61/43/1286026143.db2.gz IYZRLCGWCHHYJH-MRVPVSSYSA-N -2 3 357.779 0.369 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@@H]1CCCCS1 ZINC001593172791 1286026755 /nfs/dbraw/zinc/02/67/55/1286026755.db2.gz PCDMOAGQCLANMM-JTQLQIEISA-N -2 3 354.417 0.352 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@@H]1CCCCS1 ZINC001593172791 1286026760 /nfs/dbraw/zinc/02/67/60/1286026760.db2.gz PCDMOAGQCLANMM-JTQLQIEISA-N -2 3 354.417 0.352 20 0 FCADHL O=C(Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1)c1c[n-]n2c1nccc2=O ZINC001593196750 1286039414 /nfs/dbraw/zinc/03/94/14/1286039414.db2.gz UJGPUQLSSFIXLM-UHFFFAOYSA-N -2 3 352.318 0.056 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593273495 1286056893 /nfs/dbraw/zinc/05/68/93/1286056893.db2.gz HSELXBWDFCOXLX-BREBYQMCSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593273495 1286056899 /nfs/dbraw/zinc/05/68/99/1286056899.db2.gz HSELXBWDFCOXLX-BREBYQMCSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001593276502 1286058925 /nfs/dbraw/zinc/05/89/25/1286058925.db2.gz LPKAPUZBSUTJDE-UHFFFAOYSA-N -2 3 365.415 0.931 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001593276502 1286058928 /nfs/dbraw/zinc/05/89/28/1286058928.db2.gz LPKAPUZBSUTJDE-UHFFFAOYSA-N -2 3 365.415 0.931 20 0 FCADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593275504 1286059727 /nfs/dbraw/zinc/05/97/27/1286059727.db2.gz FCHLYKONHBXQTR-SNVBAGLBSA-N -3 3 373.341 0.677 20 0 FCADHL O=C([O-])[C@@H](CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)CC1CC1 ZINC001593276844 1286060145 /nfs/dbraw/zinc/06/01/45/1286060145.db2.gz UZKLMUFGQPYBHD-CYBMUJFWSA-N -2 3 365.415 0.787 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC001593276751 1286060725 /nfs/dbraw/zinc/06/07/25/1286060725.db2.gz PPBRUEDFVAXVAQ-NSHDSACASA-N -2 3 350.310 0.001 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC001593276751 1286060729 /nfs/dbraw/zinc/06/07/29/1286060729.db2.gz PPBRUEDFVAXVAQ-NSHDSACASA-N -2 3 350.310 0.001 20 0 FCADHL O=C([O-])[C@H]1CCCN(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)C1 ZINC001593278788 1286061643 /nfs/dbraw/zinc/06/16/43/1286061643.db2.gz BERYMFKURZXRBH-GXTWGEPZSA-N -2 3 356.386 0.840 20 0 FCADHL O=C([O-])[C@H]1CCCN(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)C1 ZINC001593278788 1286061645 /nfs/dbraw/zinc/06/16/45/1286061645.db2.gz BERYMFKURZXRBH-GXTWGEPZSA-N -2 3 356.386 0.840 20 0 FCADHL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nnn[n-]3)C[C@@H]21 ZINC001593279016 1286062104 /nfs/dbraw/zinc/06/21/04/1286062104.db2.gz MJZHFLWNAAIUII-JZYVYDRUSA-N -2 3 369.790 0.471 20 0 FCADHL O=C([O-])COC1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC001593278642 1286062187 /nfs/dbraw/zinc/06/21/87/1286062187.db2.gz RBHCRTZLTJBFJW-UHFFFAOYSA-N -2 3 367.387 0.121 20 0 FCADHL O=C([O-])COC1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC001593278642 1286062188 /nfs/dbraw/zinc/06/21/88/1286062188.db2.gz RBHCRTZLTJBFJW-UHFFFAOYSA-N -2 3 367.387 0.121 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001593278435 1286062220 /nfs/dbraw/zinc/06/22/20/1286062220.db2.gz FMHLADRYWKBIMF-UHFFFAOYSA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001593278435 1286062221 /nfs/dbraw/zinc/06/22/21/1286062221.db2.gz FMHLADRYWKBIMF-UHFFFAOYSA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001593279785 1286063032 /nfs/dbraw/zinc/06/30/32/1286063032.db2.gz YTSFUIUWODMGRS-LBPRGKRZSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001593279785 1286063036 /nfs/dbraw/zinc/06/30/36/1286063036.db2.gz YTSFUIUWODMGRS-LBPRGKRZSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])c1cccc(N2CCN(c3cnccc3-c3nnn[n-]3)CC2)n1 ZINC001593282699 1286064636 /nfs/dbraw/zinc/06/46/36/1286064636.db2.gz BVJSXUGFRVCTBK-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])c1cccc(N2CCN(c3cnccc3-c3nn[n-]n3)CC2)n1 ZINC001593282699 1286064639 /nfs/dbraw/zinc/06/46/39/1286064639.db2.gz BVJSXUGFRVCTBK-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C2)n1 ZINC001600064830 1286434966 /nfs/dbraw/zinc/43/49/66/1286434966.db2.gz GSXVUUMRRFCJGV-GXSJLCMTSA-N -2 3 358.420 0.100 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)CC2)n1 ZINC001600064532 1286435172 /nfs/dbraw/zinc/43/51/72/1286435172.db2.gz RGGNAIRLJWOVJA-GAJTVXKRSA-N -2 3 364.402 0.454 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NS(=O)(=O)C3(C(=O)[O-])CCC3)C2)n1 ZINC001600065066 1286435530 /nfs/dbraw/zinc/43/55/30/1286435530.db2.gz PASRTKBSPKKZOO-LLVKDONJSA-N -2 3 370.431 0.386 20 0 FCADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(N)=O)oc1C(=O)[O-] ZINC001600297664 1286471353 /nfs/dbraw/zinc/47/13/53/1286471353.db2.gz VTTXLVCINHTCFJ-LLVKDONJSA-N -2 3 352.368 0.661 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccc(O)cc2)C(=O)[O-])nn1 ZINC001600480740 1286495363 /nfs/dbraw/zinc/49/53/63/1286495363.db2.gz DYZLXSXRICKZMD-LBPRGKRZSA-N -2 3 351.384 0.712 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2CCN(c3ncccn3)CC2)c1C(=O)[O-] ZINC001600672510 1286522420 /nfs/dbraw/zinc/52/24/20/1286522420.db2.gz DQCFSTCJFJKLFB-UHFFFAOYSA-N -2 3 366.403 0.154 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@](C)(O)c2cccc(F)c2)c1C(=O)[O-] ZINC001600673096 1286524011 /nfs/dbraw/zinc/52/40/11/1286524011.db2.gz MZGVBQGSGQBUCF-CQSZACIVSA-N -2 3 357.363 0.741 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C(C)(C)C(=O)NCC(C)(C)C)c1C(=O)[O-] ZINC001600672931 1286524119 /nfs/dbraw/zinc/52/41/19/1286524119.db2.gz LFXWAHGELQLQAI-UHFFFAOYSA-N -2 3 360.436 0.636 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC=CCNC(=O)OC(C)(C)C)c1C(=O)[O-] ZINC001600673650 1286524885 /nfs/dbraw/zinc/52/48/85/1286524885.db2.gz LEWRWZNZNFCJSD-AATRIKPKSA-N -2 3 374.419 0.776 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2ccccc2CC(=O)[O-])c1C(=O)[O-] ZINC001600673506 1286525373 /nfs/dbraw/zinc/52/53/73/1286525373.db2.gz HEDFYPAJFDCQMM-UHFFFAOYSA-N -3 3 353.356 0.522 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2c3ccccc3CN2C)c1C(=O)[O-] ZINC001600674598 1286526102 /nfs/dbraw/zinc/52/61/02/1286526102.db2.gz UJTXBSCGDQEKCL-LBPRGKRZSA-N -2 3 350.400 0.881 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2cccnc2N2CCCC2)c1C(=O)[O-] ZINC001600675017 1286526522 /nfs/dbraw/zinc/52/65/22/1286526522.db2.gz YGDQKLREOKPZJL-UHFFFAOYSA-N -2 3 365.415 0.890 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001600732391 1286533969 /nfs/dbraw/zinc/53/39/69/1286533969.db2.gz LPLMAWPVWGVNNU-UHFFFAOYSA-N -2 3 351.359 0.290 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CC[S@](=O)CC(F)(F)F)cc1C(=O)[O-] ZINC001600858026 1286559109 /nfs/dbraw/zinc/55/91/09/1286559109.db2.gz REYSJPDDWCZSCK-NRFANRHFSA-N -2 3 363.335 0.876 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C2CC2)c(Br)n1 ZINC001600968785 1286585394 /nfs/dbraw/zinc/58/53/94/1286585394.db2.gz BDIWFKOWLCZREU-MRVPVSSYSA-N -2 3 366.237 0.962 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1cccnc1-c1nnn[n-]1)c1ccco1 ZINC001609317964 1289088470 /nfs/dbraw/zinc/08/84/70/1289088470.db2.gz NPFXOVHAWHYOPE-SECBINFHSA-N -2 3 350.360 0.521 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1cccnc1-c1nn[n-]n1)c1ccco1 ZINC001609317964 1289088476 /nfs/dbraw/zinc/08/84/76/1289088476.db2.gz NPFXOVHAWHYOPE-SECBINFHSA-N -2 3 350.360 0.521 20 0 FCADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccc(F)cc1 ZINC001601138939 1286645784 /nfs/dbraw/zinc/64/57/84/1286645784.db2.gz GAXNBNBKQINUEO-QMMMGPOBSA-N -2 3 359.360 0.485 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCC(=O)NCc1ccccn1 ZINC001601279506 1286712367 /nfs/dbraw/zinc/71/23/67/1286712367.db2.gz ZKOIHFMTEOIQNC-UHFFFAOYSA-N -2 3 370.412 0.221 20 0 FCADHL O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001601322663 1286726968 /nfs/dbraw/zinc/72/69/68/1286726968.db2.gz XZRFDFBHJOODOY-LBPRGKRZSA-N -2 3 358.354 0.668 20 0 FCADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601328399 1286730361 /nfs/dbraw/zinc/73/03/61/1286730361.db2.gz QEINIOGDRFSHHF-LJGSYFOKSA-N -2 3 352.821 0.659 20 0 FCADHL O=C([O-])[C@@H](CCF)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001601410002 1286741617 /nfs/dbraw/zinc/74/16/17/1286741617.db2.gz AEMRYHIEWDOKIW-LLVKDONJSA-N -2 3 362.354 0.809 20 0 FCADHL O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC001601649855 1286800218 /nfs/dbraw/zinc/80/02/18/1286800218.db2.gz ZSZGEIIOOFJVLZ-LURJTMIESA-N -2 3 361.319 0.384 20 0 FCADHL O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)n2)CCOC1 ZINC001601711489 1286811890 /nfs/dbraw/zinc/81/18/90/1286811890.db2.gz SSGGILBMWDSIID-LLVKDONJSA-N -2 3 365.205 0.614 20 0 FCADHL O=C([O-])C1=NO[C@@]2(CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)C1 ZINC001601745571 1286820226 /nfs/dbraw/zinc/82/02/26/1286820226.db2.gz PMJBIAADFLSNPN-NSHDSACASA-N -2 3 362.268 0.339 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C1 ZINC001609338418 1289106627 /nfs/dbraw/zinc/10/66/27/1289106627.db2.gz ASKMHAGZEUXXKW-VIFPVBQESA-N -2 3 365.371 0.049 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C1 ZINC001609338418 1289106631 /nfs/dbraw/zinc/10/66/31/1289106631.db2.gz ASKMHAGZEUXXKW-VIFPVBQESA-N -2 3 365.371 0.049 20 0 FCADHL O=C([O-])CSCCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001602096757 1286933929 /nfs/dbraw/zinc/93/39/29/1286933929.db2.gz DVOARRBFIGMYKT-UHFFFAOYSA-N -2 3 352.412 0.885 20 0 FCADHL O=C([O-])CSCCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001602100516 1286937149 /nfs/dbraw/zinc/93/71/49/1286937149.db2.gz VIAAUKMOGOUCJW-SECBINFHSA-N -2 3 371.381 0.904 20 0 FCADHL O=C([O-])Cc1cccc(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001602138845 1286947092 /nfs/dbraw/zinc/94/70/92/1286947092.db2.gz MLAXCIAOSMEWLT-LLVKDONJSA-N -2 3 358.358 0.605 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@H]3CO2)oc1Cl ZINC001602296103 1286985993 /nfs/dbraw/zinc/98/59/93/1286985993.db2.gz LYMRBZNPZFRUEE-DTWKUNHWSA-N -2 3 364.807 0.773 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)CN2CCCCC2)oc1Cl ZINC001602295391 1286986252 /nfs/dbraw/zinc/98/62/52/1286986252.db2.gz WXCKUSXGPLDKQD-SECBINFHSA-N -2 3 366.823 0.756 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(CCO)CC2)c(Br)o1 ZINC001602295090 1286986274 /nfs/dbraw/zinc/98/62/74/1286986274.db2.gz WCMZZSUGBFFILA-UHFFFAOYSA-N -2 3 354.178 0.934 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1cccc(Cn2cccn2)c1 ZINC001602506690 1287016706 /nfs/dbraw/zinc/01/67/06/1287016706.db2.gz LZRYILZGZSGWMA-UHFFFAOYSA-N -2 3 361.383 0.831 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccnc(N2CCCC2)c1 ZINC001602506539 1287016789 /nfs/dbraw/zinc/01/67/89/1287016789.db2.gz BTLRKCSVDUHPKW-UHFFFAOYSA-N -2 3 351.388 0.582 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC[C@H]1COc2ccccc2O1 ZINC001602506589 1287017620 /nfs/dbraw/zinc/01/76/20/1287017620.db2.gz FVGXTEBMFNERLZ-VIFPVBQESA-N -2 3 353.356 0.616 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001602506738 1287018735 /nfs/dbraw/zinc/01/87/35/1287018735.db2.gz OIGYNYPRDNSZNW-VIFPVBQESA-N -2 3 356.404 0.320 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCn1cncc1-c1ccccc1 ZINC001602506740 1287019514 /nfs/dbraw/zinc/01/95/14/1287019514.db2.gz OKSBNPWAVMZVQM-UHFFFAOYSA-N -2 3 361.383 0.950 20 0 FCADHL O=C([O-])c1cncc(S(=O)(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC001602543834 1287024762 /nfs/dbraw/zinc/02/47/62/1287024762.db2.gz WGOVKKJTDUMMCQ-UHFFFAOYSA-N -2 3 351.266 0.395 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H](Cc2cccnc2)C(=O)[O-])c1 ZINC001602557137 1287025506 /nfs/dbraw/zinc/02/55/06/1287025506.db2.gz QWIABCFVQCXLRI-JTQLQIEISA-N -3 3 354.340 0.595 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCN2C(=O)c3ccccc3C2=O)c1 ZINC001602558575 1287025825 /nfs/dbraw/zinc/02/58/25/1287025825.db2.gz AQYAHHXHJAKSFG-UHFFFAOYSA-N -2 3 364.335 0.552 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H](Cc1ccccn1)C(=O)[O-] ZINC001602583115 1287031276 /nfs/dbraw/zinc/03/12/76/1287031276.db2.gz ONUUDAIIRGHJOF-QMMMGPOBSA-N -3 3 371.396 0.458 20 0 FCADHL O=C([O-])C1(CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)CCC1 ZINC001602632032 1287041029 /nfs/dbraw/zinc/04/10/29/1287041029.db2.gz QENASNYBVNTQSJ-ZDUSSCGKSA-N -2 3 352.412 0.966 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001605043009 1287851009 /nfs/dbraw/zinc/85/10/09/1287851009.db2.gz DBINWWRLWFXPLT-UHFFFAOYSA-N -2 3 369.403 0.353 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001605043009 1287851011 /nfs/dbraw/zinc/85/10/11/1287851011.db2.gz DBINWWRLWFXPLT-UHFFFAOYSA-N -2 3 369.403 0.353 20 0 FCADHL Cc1cc(CSc2n[n-]c3nc(=O)c(C)nn23)ccc1-c1nnn[n-]1 ZINC001609403049 1289139572 /nfs/dbraw/zinc/13/95/72/1289139572.db2.gz MLDDPBMRLHBKJI-UHFFFAOYSA-N -2 3 355.387 0.902 20 0 FCADHL Cc1cc(CSc2n[n-]c3nc(=O)c(C)nn23)ccc1-c1nn[n-]n1 ZINC001609403049 1289139576 /nfs/dbraw/zinc/13/95/76/1289139576.db2.gz MLDDPBMRLHBKJI-UHFFFAOYSA-N -2 3 355.387 0.902 20 0 FCADHL CSc1ccc(CNS(=O)(=O)c2ncc[n-]2)cc1-c1nnn[n-]1 ZINC001605387209 1287947814 /nfs/dbraw/zinc/94/78/14/1287947814.db2.gz GAXHYOWGWAMGIQ-UHFFFAOYSA-N -2 3 351.417 0.790 20 0 FCADHL CSc1ccc(CNS(=O)(=O)c2ncc[n-]2)cc1-c1nn[n-]n1 ZINC001605387209 1287947819 /nfs/dbraw/zinc/94/78/19/1287947819.db2.gz GAXHYOWGWAMGIQ-UHFFFAOYSA-N -2 3 351.417 0.790 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001605425904 1287957321 /nfs/dbraw/zinc/95/73/21/1287957321.db2.gz YPUSWUAZDOMMSE-RKDXNWHRSA-N -2 3 369.378 0.880 20 0 FCADHL Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC001605452546 1287966598 /nfs/dbraw/zinc/96/65/98/1287966598.db2.gz GHPRCKXJPWDKLS-UHFFFAOYSA-N -2 3 364.391 0.399 20 0 FCADHL CCOC(=O)[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCOC1 ZINC001605520890 1287986989 /nfs/dbraw/zinc/98/69/89/1287986989.db2.gz UTXAJTCYPWXVJQ-AWEZNQCLSA-N -2 3 361.372 0.616 20 0 FCADHL CCOC(=O)C1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCCCC1 ZINC001605520859 1287987847 /nfs/dbraw/zinc/98/78/47/1287987847.db2.gz MIFRNKHSKFJUOD-UHFFFAOYSA-N -2 3 359.404 0.961 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCC(C)(C)C(=O)[O-] ZINC001605546483 1287995552 /nfs/dbraw/zinc/99/55/52/1287995552.db2.gz QVVZIXCGBKZHPI-UHFFFAOYSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCC(C)(C)C(=O)[O-] ZINC001605546483 1287995558 /nfs/dbraw/zinc/99/55/58/1287995558.db2.gz QVVZIXCGBKZHPI-UHFFFAOYSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)n1 ZINC001605560473 1288005992 /nfs/dbraw/zinc/00/59/92/1288005992.db2.gz UXYUDKNQLGKZLX-GFCCVEGCSA-N -2 3 356.312 0.612 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)n1 ZINC001605560473 1288005999 /nfs/dbraw/zinc/00/59/99/1288005999.db2.gz UXYUDKNQLGKZLX-GFCCVEGCSA-N -2 3 356.312 0.612 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1[O-] ZINC001605566724 1288007476 /nfs/dbraw/zinc/00/74/76/1288007476.db2.gz GJDKBKWYAPKOJC-HTQZYQBOSA-N -2 3 372.393 0.321 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1[O-] ZINC001605566724 1288007477 /nfs/dbraw/zinc/00/74/77/1288007477.db2.gz GJDKBKWYAPKOJC-HTQZYQBOSA-N -2 3 372.393 0.321 20 0 FCADHL CCOCCS(=O)(=O)[N-][C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001605638919 1288042939 /nfs/dbraw/zinc/04/29/39/1288042939.db2.gz NKWHBJSSNRIYJJ-ZDUSSCGKSA-N -2 3 356.400 0.594 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001605679055 1288048989 /nfs/dbraw/zinc/04/89/89/1288048989.db2.gz NTFMMDFJJJXRSV-SNVBAGLBSA-N -2 3 369.378 0.942 20 0 FCADHL Cc1cc(S(=O)(=O)NC[C@@H](C(=O)[O-])C2CCC2)ccc1-c1nnn[n-]1 ZINC001605750991 1288070557 /nfs/dbraw/zinc/07/05/57/1288070557.db2.gz BHCSTZNWMBNTOE-CYBMUJFWSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cc(S(=O)(=O)NC[C@@H](C(=O)[O-])C2CCC2)ccc1-c1nn[n-]n1 ZINC001605750991 1288070565 /nfs/dbraw/zinc/07/05/65/1288070565.db2.gz BHCSTZNWMBNTOE-CYBMUJFWSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001605801269 1288087386 /nfs/dbraw/zinc/08/73/86/1288087386.db2.gz AFKNSCYKXMHTNY-UTUOFQBUSA-N -2 3 363.399 0.548 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001605801269 1288087396 /nfs/dbraw/zinc/08/73/96/1288087396.db2.gz AFKNSCYKXMHTNY-UTUOFQBUSA-N -2 3 363.399 0.548 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(C)(C)[C@@H]1C(=O)[O-] ZINC001605801700 1288089848 /nfs/dbraw/zinc/08/98/48/1288089848.db2.gz HSHQWGMSULXGEJ-NSHDSACASA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC001605802108 1288090495 /nfs/dbraw/zinc/09/04/95/1288090495.db2.gz ULQOUWXKYBZFMT-CABZTGNLSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(-n2[n-]c(C(=O)n3ncc(-c4nnn[n-]4)c3N)cc2=O)cc1 ZINC001605803896 1288091860 /nfs/dbraw/zinc/09/18/60/1288091860.db2.gz FGQMEXPJDCVVMH-UHFFFAOYSA-N -2 3 351.330 0.121 20 0 FCADHL CCc1ccccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[n-]c1=O ZINC001605834669 1288096610 /nfs/dbraw/zinc/09/66/10/1288096610.db2.gz HZJNWKPAYVBIGD-JTQLQIEISA-N -3 3 351.359 0.869 20 0 FCADHL Cc1ccsc1S(=O)(=O)[N-]c1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001605972680 1288115859 /nfs/dbraw/zinc/11/58/59/1288115859.db2.gz XXGLVTGVQXQBOS-UHFFFAOYSA-N -2 3 367.416 0.764 20 0 FCADHL Cc1ccsc1S(=O)(=O)[N-]c1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001605972680 1288115862 /nfs/dbraw/zinc/11/58/62/1288115862.db2.gz XXGLVTGVQXQBOS-UHFFFAOYSA-N -2 3 367.416 0.764 20 0 FCADHL Cc1[nH]nc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1-c1nnn[n-]1 ZINC001606014924 1288128770 /nfs/dbraw/zinc/12/87/70/1288128770.db2.gz TVNVHWULPOPWBO-UHFFFAOYSA-N -2 3 362.375 0.522 20 0 FCADHL Cc1[nH]nc([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c1-c1nnn[n-]1 ZINC001606014053 1288129653 /nfs/dbraw/zinc/12/96/53/1288129653.db2.gz NRVOQASXBYOKQQ-ZETCQYMHSA-N -2 3 363.407 0.793 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609454847 1289160069 /nfs/dbraw/zinc/16/00/69/1289160069.db2.gz DKDUXEYKHBLCFU-UHFFFAOYSA-N -2 3 365.357 0.557 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])cc1-c1nnn[n-]1 ZINC001609455996 1289161452 /nfs/dbraw/zinc/16/14/52/1289161452.db2.gz WKVNOMQGGDBCFV-VIFPVBQESA-N -2 3 352.376 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])cc1-c1nn[n-]n1 ZINC001609455996 1289161454 /nfs/dbraw/zinc/16/14/54/1289161454.db2.gz WKVNOMQGGDBCFV-VIFPVBQESA-N -2 3 352.376 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1-c1nnn[n-]1 ZINC001609456257 1289161498 /nfs/dbraw/zinc/16/14/98/1289161498.db2.gz IFDRWTIHUAYQOH-CYBMUJFWSA-N -2 3 374.382 0.674 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1-c1nn[n-]n1 ZINC001609456257 1289161500 /nfs/dbraw/zinc/16/15/00/1289161500.db2.gz IFDRWTIHUAYQOH-CYBMUJFWSA-N -2 3 374.382 0.674 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)ccc1F ZINC001606303519 1288259787 /nfs/dbraw/zinc/25/97/87/1288259787.db2.gz HRPQTDRJWUYZPH-CYBMUJFWSA-N -2 3 367.358 0.685 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 ZINC001609477703 1289172213 /nfs/dbraw/zinc/17/22/13/1289172213.db2.gz WVTFPYUGOMOSMY-UHFFFAOYSA-N -2 3 374.386 0.286 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)Cc2c(F)cccc2F)n1 ZINC001609477600 1289170562 /nfs/dbraw/zinc/17/05/62/1289170562.db2.gz NHJYEDDXGISEOM-UHFFFAOYSA-N -2 3 355.330 0.820 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)cn1 ZINC001609479773 1289173352 /nfs/dbraw/zinc/17/33/52/1289173352.db2.gz MZMPTLKIOVWGAM-SREVYHEPSA-N -2 3 359.371 0.119 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)cn1 ZINC001609479773 1289173354 /nfs/dbraw/zinc/17/33/54/1289173354.db2.gz MZMPTLKIOVWGAM-SREVYHEPSA-N -2 3 359.371 0.119 20 0 FCADHL Cn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC001609482295 1289176157 /nfs/dbraw/zinc/17/61/57/1289176157.db2.gz SHNRZKRKNNVVMW-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL Cn1[n-]c(COC(=O)c2cnc(C(F)(F)F)c(-c3nnn[n-]3)c2)nc1=O ZINC001609481724 1289176400 /nfs/dbraw/zinc/17/64/00/1289176400.db2.gz KZSNENQQIKMHGF-UHFFFAOYSA-N -2 3 370.251 0.059 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001606592796 1288399328 /nfs/dbraw/zinc/39/93/28/1288399328.db2.gz DIZFCXUCNROMCM-BXKDBHETSA-N -2 3 361.347 0.380 20 0 FCADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)[O-] ZINC001606592811 1288399613 /nfs/dbraw/zinc/39/96/13/1288399613.db2.gz FOADWGOIYGIMQS-JTQLQIEISA-N -2 3 365.791 0.629 20 0 FCADHL COC(=O)c1coc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n1 ZINC001606631549 1288415895 /nfs/dbraw/zinc/41/58/95/1288415895.db2.gz XAJWNWDZHRXVMJ-UHFFFAOYSA-N -2 3 354.340 0.946 20 0 FCADHL O=C(Cn1ccnc1-c1nnn[n-]1)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC001606641540 1288421112 /nfs/dbraw/zinc/42/11/12/1288421112.db2.gz SSOBLZGZWKHVTO-UHFFFAOYSA-N -2 3 357.296 0.624 20 0 FCADHL O=C(Cn1ccnc1-c1nn[n-]n1)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC001606641540 1288421114 /nfs/dbraw/zinc/42/11/14/1288421114.db2.gz SSOBLZGZWKHVTO-UHFFFAOYSA-N -2 3 357.296 0.624 20 0 FCADHL COCCC(=O)N1CCC([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC001606848934 1288540917 /nfs/dbraw/zinc/54/09/17/1288540917.db2.gz DIZMFYNQOTWTBA-UHFFFAOYSA-N -2 3 374.415 0.592 20 0 FCADHL O=C([N-]OCCC(F)(F)F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001606863397 1288542422 /nfs/dbraw/zinc/54/24/22/1288542422.db2.gz YCUWFVGWBSRRBS-UHFFFAOYSA-N -2 3 362.243 0.945 20 0 FCADHL O=C([N-]OCCC(F)(F)F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001606863397 1288542423 /nfs/dbraw/zinc/54/24/23/1288542423.db2.gz YCUWFVGWBSRRBS-UHFFFAOYSA-N -2 3 362.243 0.945 20 0 FCADHL O=C([O-])CN(CC1CC1)S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001606957816 1288574339 /nfs/dbraw/zinc/57/43/39/1288574339.db2.gz KSCMQXNXUDNBGG-UHFFFAOYSA-N -2 3 369.378 0.632 20 0 FCADHL O=C([O-])CN(CC1CC1)S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001606957816 1288574341 /nfs/dbraw/zinc/57/43/41/1288574341.db2.gz KSCMQXNXUDNBGG-UHFFFAOYSA-N -2 3 369.378 0.632 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001606958483 1288574529 /nfs/dbraw/zinc/57/45/29/1288574529.db2.gz VTZLRKCLNVZRNM-MNOVXSKESA-N -2 3 352.376 0.183 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001606958483 1288574530 /nfs/dbraw/zinc/57/45/30/1288574530.db2.gz VTZLRKCLNVZRNM-MNOVXSKESA-N -2 3 352.376 0.183 20 0 FCADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001606960906 1288576527 /nfs/dbraw/zinc/57/65/27/1288576527.db2.gz UYJJFJNFDSFMRN-MRVPVSSYSA-N -3 3 365.293 0.236 20 0 FCADHL O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC001606961509 1288576745 /nfs/dbraw/zinc/57/67/45/1288576745.db2.gz TVWHHULCHNIWBC-LBPRGKRZSA-N -2 3 374.382 0.756 20 0 FCADHL O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC001606961509 1288576749 /nfs/dbraw/zinc/57/67/49/1288576749.db2.gz TVWHHULCHNIWBC-LBPRGKRZSA-N -2 3 374.382 0.756 20 0 FCADHL O=C1CCc2cc(S(=O)(=O)[N-]c3ncccc3-c3nn[n-]n3)ccc2N1 ZINC001607046948 1288615377 /nfs/dbraw/zinc/61/53/77/1288615377.db2.gz VCSPLNRQEYQSJX-UHFFFAOYSA-N -2 3 371.382 0.947 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001607068679 1288641439 /nfs/dbraw/zinc/64/14/39/1288641439.db2.gz NFGLBKOJJIBYTB-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001607068679 1288641442 /nfs/dbraw/zinc/64/14/42/1288641442.db2.gz NFGLBKOJJIBYTB-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccccc1-c1nnn[n-]1 ZINC001607068975 1288641542 /nfs/dbraw/zinc/64/15/42/1288641542.db2.gz MIMHNKASBOXCNT-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccccc1-c1nn[n-]n1 ZINC001607068975 1288641543 /nfs/dbraw/zinc/64/15/43/1288641543.db2.gz MIMHNKASBOXCNT-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCC1 ZINC001607368796 1288701219 /nfs/dbraw/zinc/70/12/19/1288701219.db2.gz FGFNYUHREOTNLY-UHFFFAOYSA-N -2 3 368.458 0.335 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccnn3C)C2)c1C(=O)[O-] ZINC001607939955 1288749705 /nfs/dbraw/zinc/74/97/05/1288749705.db2.gz IEEWFDZAHBQMKY-KOLCDFICSA-N -2 3 369.403 0.348 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCCNC(=O)c2ccccc2)c1C(=O)[O-] ZINC001607938664 1288749717 /nfs/dbraw/zinc/74/97/17/1288749717.db2.gz SVRMSYAEIGDXOV-UHFFFAOYSA-N -2 3 366.399 0.515 20 0 FCADHL Cn1cc(C(=O)[O-])c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC001608099476 1288767486 /nfs/dbraw/zinc/76/74/86/1288767486.db2.gz WTAKVGULXCMMOX-UHFFFAOYSA-N -2 3 373.369 0.814 20 0 FCADHL Cn1cc([C@H](CO)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cn1 ZINC001608106544 1288768565 /nfs/dbraw/zinc/76/85/65/1288768565.db2.gz WKHAOSANUGKZCU-VIFPVBQESA-N -2 3 361.326 0.408 20 0 FCADHL Cn1ncc(C(=O)[O-])c1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001608156456 1288783362 /nfs/dbraw/zinc/78/33/62/1288783362.db2.gz QSYQEJRQMFENFM-UHFFFAOYSA-N -2 3 373.369 0.814 20 0 FCADHL O=C([O-])C1CN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC001608643469 1288861167 /nfs/dbraw/zinc/86/11/67/1288861167.db2.gz ACKRUITUEBBESK-UHFFFAOYSA-N -2 3 360.338 0.562 20 0 FCADHL C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070646 1288900559 /nfs/dbraw/zinc/90/05/59/1288900559.db2.gz SPEIUTHKJJCGRV-QMMMGPOBSA-N -2 3 366.345 0.754 20 0 FCADHL C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001609070646 1288900569 /nfs/dbraw/zinc/90/05/69/1288900569.db2.gz SPEIUTHKJJCGRV-QMMMGPOBSA-N -2 3 366.345 0.754 20 0 FCADHL CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609106453 1288922947 /nfs/dbraw/zinc/92/29/47/1288922947.db2.gz XSRBZUVCHDCXKO-UHFFFAOYSA-N -2 3 373.398 0.899 20 0 FCADHL CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609106453 1288922954 /nfs/dbraw/zinc/92/29/54/1288922954.db2.gz XSRBZUVCHDCXKO-UHFFFAOYSA-N -2 3 373.398 0.899 20 0 FCADHL C[C@H](CCNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C(=O)[O-] ZINC001609111368 1288926455 /nfs/dbraw/zinc/92/64/55/1288926455.db2.gz QENFSEWIEGSAGX-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001609140673 1288945693 /nfs/dbraw/zinc/94/56/93/1288945693.db2.gz RAEBTVZVSJNAKP-SECBINFHSA-N -2 3 355.358 0.499 20 0 FCADHL C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001609140673 1288945697 /nfs/dbraw/zinc/94/56/97/1288945697.db2.gz RAEBTVZVSJNAKP-SECBINFHSA-N -2 3 355.358 0.499 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001609155540 1288955064 /nfs/dbraw/zinc/95/50/64/1288955064.db2.gz PFWDXZMKVGPMLL-JOYOIKCWSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001609155540 1288955067 /nfs/dbraw/zinc/95/50/67/1288955067.db2.gz PFWDXZMKVGPMLL-JOYOIKCWSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC001609166372 1288961201 /nfs/dbraw/zinc/96/12/01/1288961201.db2.gz ACFQQZRTUONXPE-GXFFZTMASA-N -2 3 372.385 0.052 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] ZINC001609166372 1288961205 /nfs/dbraw/zinc/96/12/05/1288961205.db2.gz ACFQQZRTUONXPE-GXFFZTMASA-N -2 3 372.385 0.052 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C(=O)[O-])C1 ZINC001609168960 1288962438 /nfs/dbraw/zinc/96/24/38/1288962438.db2.gz SHPFNNGYPMVYRU-JOYOIKCWSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C(=O)[O-])C1 ZINC001609168960 1288962441 /nfs/dbraw/zinc/96/24/41/1288962441.db2.gz SHPFNNGYPMVYRU-JOYOIKCWSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001609175623 1288968411 /nfs/dbraw/zinc/96/84/11/1288968411.db2.gz VLYMKRNXVZUAOT-KBVBSXBZSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001609175623 1288968419 /nfs/dbraw/zinc/96/84/19/1288968419.db2.gz VLYMKRNXVZUAOT-KBVBSXBZSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001609179139 1288973692 /nfs/dbraw/zinc/97/36/92/1288973692.db2.gz MAOFTTITPALDOA-RCOVLWMOSA-N -2 3 373.391 0.543 20 0 FCADHL C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001609179139 1288973694 /nfs/dbraw/zinc/97/36/94/1288973694.db2.gz MAOFTTITPALDOA-RCOVLWMOSA-N -2 3 373.391 0.543 20 0 FCADHL CCOC1CC(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001609237861 1289010237 /nfs/dbraw/zinc/01/02/37/1289010237.db2.gz YRRVZRHUJWAPOU-UHFFFAOYSA-N -2 3 365.415 0.628 20 0 FCADHL CCOC1CC(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001609237861 1289010241 /nfs/dbraw/zinc/01/02/41/1289010241.db2.gz YRRVZRHUJWAPOU-UHFFFAOYSA-N -2 3 365.415 0.628 20 0 FCADHL CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001609237119 1289011625 /nfs/dbraw/zinc/01/16/25/1289011625.db2.gz UOAHZGHDDHRWNX-JTQLQIEISA-N -2 3 369.403 0.495 20 0 FCADHL CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001609237119 1289011632 /nfs/dbraw/zinc/01/16/32/1289011632.db2.gz UOAHZGHDDHRWNX-JTQLQIEISA-N -2 3 369.403 0.495 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609525139 1289195075 /nfs/dbraw/zinc/19/50/75/1289195075.db2.gz QMEPCSXZBBAATO-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609525139 1289195079 /nfs/dbraw/zinc/19/50/79/1289195079.db2.gz QMEPCSXZBBAATO-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001609557450 1289222836 /nfs/dbraw/zinc/22/28/36/1289222836.db2.gz LXSQORINMLJRQP-UHFFFAOYSA-N -2 3 356.346 0.161 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccn(C(F)F)n1 ZINC001609560355 1289224600 /nfs/dbraw/zinc/22/46/00/1289224600.db2.gz JVKNVTDMTXOZNY-UHFFFAOYSA-N -2 3 369.313 0.577 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccn(C(F)F)n1 ZINC001609560355 1289224605 /nfs/dbraw/zinc/22/46/05/1289224605.db2.gz JVKNVTDMTXOZNY-UHFFFAOYSA-N -2 3 369.313 0.577 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@H]1CCCOCC1 ZINC001609560344 1289224617 /nfs/dbraw/zinc/22/46/17/1289224617.db2.gz JJCOOXZXPSQURB-JTQLQIEISA-N -2 3 351.388 0.488 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@H]1CCCOCC1 ZINC001609560344 1289224624 /nfs/dbraw/zinc/22/46/24/1289224624.db2.gz JJCOOXZXPSQURB-JTQLQIEISA-N -2 3 351.388 0.488 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCOCC1 ZINC001609559936 1289224702 /nfs/dbraw/zinc/22/47/02/1289224702.db2.gz MEKUNSBOLKDBDI-ZDUSSCGKSA-N -2 3 365.415 0.629 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOCC1 ZINC001609559936 1289224703 /nfs/dbraw/zinc/22/47/03/1289224703.db2.gz MEKUNSBOLKDBDI-ZDUSSCGKSA-N -2 3 365.415 0.629 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1C(F)(F)F ZINC001609560228 1289224874 /nfs/dbraw/zinc/22/48/74/1289224874.db2.gz BQEMJMMGOOMEMQ-RKDXNWHRSA-N -2 3 361.305 0.870 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1C(F)(F)F ZINC001609560228 1289224882 /nfs/dbraw/zinc/22/48/82/1289224882.db2.gz BQEMJMMGOOMEMQ-RKDXNWHRSA-N -2 3 361.305 0.870 20 0 FCADHL O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001609571944 1289233938 /nfs/dbraw/zinc/23/39/38/1289233938.db2.gz WBDKAYBQZXMUSY-CYBMUJFWSA-N -2 3 374.382 0.756 20 0 FCADHL O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001609571944 1289233944 /nfs/dbraw/zinc/23/39/44/1289233944.db2.gz WBDKAYBQZXMUSY-CYBMUJFWSA-N -2 3 374.382 0.756 20 0 FCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609572363 1289234550 /nfs/dbraw/zinc/23/45/50/1289234550.db2.gz SNVCHYDNFKKLKF-ZDUSSCGKSA-N -2 3 374.382 0.236 20 0 FCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609572363 1289234554 /nfs/dbraw/zinc/23/45/54/1289234554.db2.gz SNVCHYDNFKKLKF-ZDUSSCGKSA-N -2 3 374.382 0.236 20 0 FCADHL O=C1NCc2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)c21 ZINC001609590454 1289247175 /nfs/dbraw/zinc/24/71/75/1289247175.db2.gz XGZHOTKHAZGAHL-UHFFFAOYSA-N -2 3 356.367 0.911 20 0 FCADHL O=C1NCc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)c21 ZINC001609590454 1289247181 /nfs/dbraw/zinc/24/71/81/1289247181.db2.gz XGZHOTKHAZGAHL-UHFFFAOYSA-N -2 3 356.367 0.911 20 0 FCADHL C[C@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)C(=O)[O-] ZINC001609794403 1289299536 /nfs/dbraw/zinc/29/95/36/1289299536.db2.gz OLYUAQRJNHUBMT-YFKPBYRVSA-N -2 3 355.777 0.265 20 0 FCADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)(C(=O)[O-])C1(C)C ZINC001610027822 1289351212 /nfs/dbraw/zinc/35/12/12/1289351212.db2.gz AIOMXQXVBBNCNM-OTYXRUKQSA-N -3 3 361.372 0.915 20 0 FCADHL CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001610093881 1289368484 /nfs/dbraw/zinc/36/84/84/1289368484.db2.gz RSCXXHROZFGEQF-BDAKNGLRSA-N -2 3 361.445 0.767 20 0 FCADHL COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001610164190 1289404229 /nfs/dbraw/zinc/40/42/29/1289404229.db2.gz CBYJTGOWNFEANJ-YMTOWFKASA-N -2 3 359.404 0.817 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCSC2)s1 ZINC001610214514 1289429147 /nfs/dbraw/zinc/42/91/47/1289429147.db2.gz WXNAKRVYZLNOLI-LLVKDONJSA-N -2 3 351.427 0.773 20 0 FCADHL [NH3+]CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001610644434 1289539289 /nfs/dbraw/zinc/53/92/89/1289539289.db2.gz CUQKFXFXHQGHLP-QMMMGPOBSA-N -2 3 354.743 0.258 20 0 FCADHL O=C([O-])C1(CS(=O)(=O)[N-]CC(=O)Nc2cccnc2)CCCCC1 ZINC001610665626 1289547966 /nfs/dbraw/zinc/54/79/66/1289547966.db2.gz JPMDYEHSLUPHAM-UHFFFAOYSA-N -2 3 355.416 0.975 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCNC(=O)c1ccccc1 ZINC001610693624 1289557355 /nfs/dbraw/zinc/55/73/55/1289557355.db2.gz WZEASABOHWNEIX-UHFFFAOYSA-N -2 3 355.397 0.550 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001610735926 1289571507 /nfs/dbraw/zinc/57/15/07/1289571507.db2.gz RMGIMFMROCHSPH-VHSXEESVSA-N -2 3 351.325 0.268 20 0 FCADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2ccc(Br)cn2)CCOC1 ZINC001610760112 1289581861 /nfs/dbraw/zinc/58/18/61/1289581861.db2.gz XVFHJKOSBYQIGH-NSHDSACASA-N -2 3 365.205 0.756 20 0 FCADHL O=C([O-])c1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)o1 ZINC001610822600 1289601065 /nfs/dbraw/zinc/60/10/65/1289601065.db2.gz QPSGQYQOINXADG-UHFFFAOYSA-N -2 3 374.321 0.964 20 0 FCADHL CC(C)S(=O)(=O)c1ccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cc1 ZINC001630646211 1290685020 /nfs/dbraw/zinc/68/50/20/1290685020.db2.gz BYZVKGFQYDWHFW-UHFFFAOYSA-N -2 3 351.384 1.000 20 0 FCADHL O=C(c1ccc(Br)cc1[O-])N1CCOC[C@@H]1c1nnn[n-]1 ZINC001631568932 1290739117 /nfs/dbraw/zinc/73/91/17/1290739117.db2.gz YLDZCQLHWMXPGX-SECBINFHSA-N -2 3 354.164 0.882 20 0 FCADHL O=C(c1ccc(Br)cc1[O-])N1CCOC[C@@H]1c1nn[n-]n1 ZINC001631568932 1290739120 /nfs/dbraw/zinc/73/91/20/1290739120.db2.gz YLDZCQLHWMXPGX-SECBINFHSA-N -2 3 354.164 0.882 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCCS1 ZINC000826450666 836527588 /nfs/dbraw/zinc/52/75/88/836527588.db2.gz XWNWFRXGLQGVBH-LLVKDONJSA-N -2 3 353.429 0.957 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCCS1 ZINC000826450666 836527591 /nfs/dbraw/zinc/52/75/91/836527591.db2.gz XWNWFRXGLQGVBH-LLVKDONJSA-N -2 3 353.429 0.957 20 0 FCADHL C[C@H](C(=O)NCc1nc([O-])cc(=O)[n-]1)S(=O)(=O)c1ccc(F)cc1 ZINC001149283726 849634211 /nfs/dbraw/zinc/63/42/11/849634211.db2.gz FBFQHIWSOHQRRA-MRVPVSSYSA-N -2 3 355.347 0.506 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3[n-]c(=O)nc3CN)cn2)cc1 ZINC001168760395 850592896 /nfs/dbraw/zinc/59/28/96/850592896.db2.gz JQYNMGNCHNXTBD-UHFFFAOYSA-N -2 3 360.399 0.936 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1COCCN1Cc1ccccc1 ZINC001184019847 851283550 /nfs/dbraw/zinc/28/35/50/851283550.db2.gz UVGRWWUZOSFTBF-OAHLLOKOSA-N -2 3 356.359 0.962 20 0 FCADHL CCOC(=O)c1sc(S(=O)(=O)[N-]C(C(=O)OC)=C(C)[O-])nc1C ZINC001184975030 851330378 /nfs/dbraw/zinc/33/03/78/851330378.db2.gz NMTRJADEILXCOS-MRVPVSSYSA-N -2 3 364.401 0.037 20 0 FCADHL COc1ccc(S(=O)(=O)Nc2cc(=O)[n-]c(=S)[nH]2)cc1C(=O)[O-] ZINC001185269532 851347981 /nfs/dbraw/zinc/34/79/81/851347981.db2.gz LWQKBLVQOXCFNB-UHFFFAOYSA-N -2 3 357.369 0.979 20 0 FCADHL COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185566013 851362463 /nfs/dbraw/zinc/36/24/63/851362463.db2.gz IMBKLCOMUZTVDV-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185566013 851362476 /nfs/dbraw/zinc/36/24/76/851362476.db2.gz IMBKLCOMUZTVDV-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185566494 851364060 /nfs/dbraw/zinc/36/40/60/851364060.db2.gz NNDFWVKGTPVSIJ-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185566494 851364068 /nfs/dbraw/zinc/36/40/68/851364068.db2.gz NNDFWVKGTPVSIJ-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL CN(CC(=O)Nc1cc(Cl)nnc1Cl)C(N)=NP(=O)([O-])[O-] ZINC001185653380 851375995 /nfs/dbraw/zinc/37/59/95/851375995.db2.gz DURGTLWMQDLWQT-UHFFFAOYSA-N -2 3 357.094 0.271 20 0 FCADHL CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NCCP(=O)([O-])[O-])CC1 ZINC001185777612 851387123 /nfs/dbraw/zinc/38/71/23/851387123.db2.gz OGVMHZLCUOYKST-UHFFFAOYSA-N -2 3 372.380 0.483 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])c1[nH]ncc1I ZINC001189139144 851758339 /nfs/dbraw/zinc/75/83/39/851758339.db2.gz DZLNLTDYBASLKH-UHFFFAOYSA-N -2 3 373.087 0.702 20 0 FCADHL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCF)cc1 ZINC001189915145 851841538 /nfs/dbraw/zinc/84/15/38/851841538.db2.gz HMUARJVLKBKHPL-UHFFFAOYSA-N -2 3 354.381 0.833 20 0 FCADHL CCOc1ccc(S(=O)(=O)NC(C(=O)OC)=C(C)[O-])cc1C(=O)[O-] ZINC001192664964 852271683 /nfs/dbraw/zinc/27/16/83/852271683.db2.gz VGTRDRZOUWABDO-GFCCVEGCSA-N -2 3 359.356 0.192 20 0 FCADHL CC(=O)Nc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])c(Cl)c1 ZINC001193371389 852415494 /nfs/dbraw/zinc/41/54/94/852415494.db2.gz RDJZPYPXADZZOA-UHFFFAOYSA-N -2 3 356.724 0.754 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCOC2)c(F)cc1F ZINC001195258315 852732803 /nfs/dbraw/zinc/73/28/03/852732803.db2.gz NTUDMZOPYWBYPQ-HQJQHLMTSA-N -2 3 351.327 0.339 20 0 FCADHL CN(C)C(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCC1 ZINC001195267750 852734425 /nfs/dbraw/zinc/73/44/25/852734425.db2.gz FXWZUBIELGSYEF-UHFFFAOYSA-N -2 3 362.354 0.952 20 0 FCADHL O=C1[N-]C(=O)[C@@H]([N-]S(=O)(=O)c2ccc(Br)cn2)S1 ZINC001196174073 852904300 /nfs/dbraw/zinc/90/43/00/852904300.db2.gz ISPCLVMHPVUPEF-ZETCQYMHSA-N -2 3 352.191 0.432 20 0 FCADHL O=C([O-])CCC(=O)C[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001196330719 852937896 /nfs/dbraw/zinc/93/78/96/852937896.db2.gz BCYMJDCEHUWWQM-UHFFFAOYSA-N -2 3 351.178 0.556 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])c1cc(N2CCCNC2=O)ncn1 ZINC001199428143 853422641 /nfs/dbraw/zinc/42/26/41/853422641.db2.gz NUQJGNVQUXCIIH-UHFFFAOYSA-N -2 3 357.307 0.084 20 0 FCADHL COC(=O)c1cncc(S(=O)(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001201862206 853553032 /nfs/dbraw/zinc/55/30/32/853553032.db2.gz HQGKOTGBNXGQRJ-UHFFFAOYSA-N -2 3 352.305 0.104 20 0 FCADHL COC(=O)[C@@H]1C[C@H](OCCP(=O)([O-])[O-])CN1C(=O)OC(C)(C)C ZINC001224608103 856991186 /nfs/dbraw/zinc/99/11/86/856991186.db2.gz ZEFGPAUGHJQDDG-UWVGGRQHSA-N -2 3 353.308 0.732 20 0 FCADHL CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)[C@H]2OCC[C@@H]21 ZINC001227569075 857165651 /nfs/dbraw/zinc/16/56/51/857165651.db2.gz SQKOKSBSMOWSLY-GUBZILKMSA-N -2 3 354.363 0.829 20 0 FCADHL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=S)nc2ccccc21)[C@H](O)C(=O)[O-] ZINC001228766749 857227672 /nfs/dbraw/zinc/22/76/72/857227672.db2.gz VCBZMVOWIZRLTP-XCBNKYQSSA-N -3 3 352.324 0.360 20 0 FCADHL Cc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])[n-]c(=O)nc12 ZINC001229407844 857268393 /nfs/dbraw/zinc/26/83/93/857268393.db2.gz QGOHOEYYGXJOJJ-KCJUWKMLSA-N -3 3 350.283 0.086 20 0 FCADHL O=C([O-])C[C@@H](C(=O)Oc1cc([O-])cc(Br)c1)[C@H](O)C(=O)[O-] ZINC001231016309 857354075 /nfs/dbraw/zinc/35/40/75/857354075.db2.gz XADZNXLGRRMTQX-SCZZXKLOSA-N -3 3 363.116 0.597 20 0 FCADHL CN1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1=O ZINC001259222213 858249124 /nfs/dbraw/zinc/24/91/24/858249124.db2.gz MOVJLFPTCQFOKL-SECBINFHSA-N -2 3 350.755 0.686 20 0 FCADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc([O-])cc(C(N)=O)c1 ZINC001260522441 858378337 /nfs/dbraw/zinc/37/83/37/858378337.db2.gz GUWKYXVKEPGGRX-UHFFFAOYSA-N -2 3 370.408 0.695 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(=O)o[n-]2)ccc1F ZINC001324765131 869669601 /nfs/dbraw/zinc/66/96/01/869669601.db2.gz VWWGSRINOVGTPV-UHFFFAOYSA-N -2 3 372.378 0.509 20 0 FCADHL CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000322481675 970892319 /nfs/dbraw/zinc/89/23/19/970892319.db2.gz UFPMELKJSJHPIB-ZETCQYMHSA-N -2 3 350.343 0.854 20 0 FCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000822902981 946213404 /nfs/dbraw/zinc/21/34/04/946213404.db2.gz FUZBEHLBTNNLOY-UHFFFAOYSA-N -2 3 355.293 0.364 20 0 FCADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000822902981 946213409 /nfs/dbraw/zinc/21/34/09/946213409.db2.gz FUZBEHLBTNNLOY-UHFFFAOYSA-N -2 3 355.293 0.364 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000826174961 947542328 /nfs/dbraw/zinc/54/23/28/947542328.db2.gz OJOOJNBCDNNAST-INIZCTEOSA-N -2 3 361.358 0.624 20 0 FCADHL Cc1cc(NC(=O)CNC(=O)c2ncccc2[O-])cc(-c2nnn[n-]2)c1 ZINC001570960124 949980593 /nfs/dbraw/zinc/98/05/93/949980593.db2.gz ACHVLGRYKIUNKR-UHFFFAOYSA-N -2 3 353.342 0.644 20 0 FCADHL C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncccc1[O-] ZINC001575926834 950721156 /nfs/dbraw/zinc/72/11/56/950721156.db2.gz MDQCXYVHTDYTGF-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ncccc1[O-] ZINC001575926834 950721169 /nfs/dbraw/zinc/72/11/69/950721169.db2.gz MDQCXYVHTDYTGF-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncccc1[O-] ZINC001575938024 950964846 /nfs/dbraw/zinc/96/48/46/950964846.db2.gz MKLCTKSNODJKAI-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncccc1[O-] ZINC001575938024 950964865 /nfs/dbraw/zinc/96/48/65/950964865.db2.gz MKLCTKSNODJKAI-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001571026628 951479652 /nfs/dbraw/zinc/47/96/52/951479652.db2.gz BAORKTLQVBZCNE-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001571026628 951479662 /nfs/dbraw/zinc/47/96/62/951479662.db2.gz BAORKTLQVBZCNE-UHFFFAOYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(c1ncccc1[O-])N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571090954 952248433 /nfs/dbraw/zinc/24/84/33/952248433.db2.gz FATHRPAZUDIICT-UHFFFAOYSA-N -2 3 371.426 0.987 20 0 FCADHL O=C(c1ncccc1[O-])N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571090954 952248439 /nfs/dbraw/zinc/24/84/39/952248439.db2.gz FATHRPAZUDIICT-UHFFFAOYSA-N -2 3 371.426 0.987 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC001594896900 954574862 /nfs/dbraw/zinc/57/48/62/954574862.db2.gz VAOSFSHINZTEAW-GUBZILKMSA-N -2 3 364.320 0.678 20 0 FCADHL COC(=O)[C@]1([N-]S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCCC(C)(C)C1 ZINC001593814696 954989663 /nfs/dbraw/zinc/98/96/63/954989663.db2.gz PWASJJJNCBRUJY-NHYWBVRUSA-N -2 3 362.448 0.882 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001594502060 955330828 /nfs/dbraw/zinc/33/08/28/955330828.db2.gz GNEOIZJAGDOAFL-UHFFFAOYSA-N -2 3 359.404 0.283 20 0 FCADHL C[C@@H](CC(=O)[O-])NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001589002035 955336301 /nfs/dbraw/zinc/33/63/01/955336301.db2.gz RGEGGBVEMWGVPT-ZETCQYMHSA-N -2 3 369.852 0.842 20 0 FCADHL COC[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000071271245 957714700 /nfs/dbraw/zinc/71/47/00/957714700.db2.gz ABYFNQLUCVDBFO-YFKPBYRVSA-N -2 3 358.166 0.026 20 0 FCADHL CN1C[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CC1=O ZINC000390546499 972292636 /nfs/dbraw/zinc/29/26/36/972292636.db2.gz OELCLUHLTZDLQE-SSDOTTSWSA-N -2 3 350.755 0.686 20 0 FCADHL CON(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](C)C(=O)[O-] ZINC001594036036 957813539 /nfs/dbraw/zinc/81/35/39/957813539.db2.gz PQPVEEBAEINLQU-ZCFIWIBFSA-N -2 3 356.809 0.543 20 0 FCADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)cc1F ZINC001594059319 958079898 /nfs/dbraw/zinc/07/98/98/958079898.db2.gz HQUIPROTEWFNFP-LBPRGKRZSA-N -2 3 361.326 0.811 20 0 FCADHL Cc1cc(=O)[n-]c(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC001594327436 958186608 /nfs/dbraw/zinc/18/66/08/958186608.db2.gz YRRVMHKTRAPYFN-GZMMTYOYSA-N -3 3 362.308 0.587 20 0 FCADHL Cc1nccn1CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594475630 959595428 /nfs/dbraw/zinc/59/54/28/959595428.db2.gz PRUPXYGBPPGRFL-ONGXEEELSA-N -2 3 362.308 0.314 20 0 FCADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001574307147 960744665 /nfs/dbraw/zinc/74/46/65/960744665.db2.gz VLAMWCXHOFZHGP-SNVBAGLBSA-N -2 3 350.375 0.165 20 0 FCADHL O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1=O ZINC001605910013 972769646 /nfs/dbraw/zinc/76/96/46/972769646.db2.gz MNMFJFCQDUOXEU-CHWSQXEVSA-N -2 3 352.354 0.565 20 0 FCADHL C[C@H](CC(=O)[O-])N1CCN(C(=O)c2nc[n-]c(=O)c2Br)CC1 ZINC001592418176 978020890 /nfs/dbraw/zinc/02/08/90/978020890.db2.gz HYFZBLOKAXMJDY-MRVPVSSYSA-N -2 3 373.207 0.566 20 0 FCADHL O=C([O-])c1cn([C@H]2CCN(C(=O)c3nnc4ccccc4c3[O-])C2)nn1 ZINC000818317974 978913697 /nfs/dbraw/zinc/91/36/97/978913697.db2.gz OKFZXKMZTIRHCI-VIFPVBQESA-N -2 3 354.326 0.712 20 0 FCADHL CC[C@](COC)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)C(=O)[O-] ZINC001595193197 979885446 /nfs/dbraw/zinc/88/54/46/979885446.db2.gz HNHPXUXIWVYVLF-CQSZACIVSA-N -2 3 362.379 0.343 20 0 FCADHL C[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001593052562 980355236 /nfs/dbraw/zinc/35/52/36/980355236.db2.gz YGKGDNNYQHOZOU-ZCFIWIBFSA-N -2 3 359.264 0.561 20 0 FCADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001595608657 981613929 /nfs/dbraw/zinc/61/39/29/981613929.db2.gz LMNJRASLTUGBTM-CPCISQLKSA-N -3 3 367.326 0.556 20 0 FCADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001595608660 981614163 /nfs/dbraw/zinc/61/41/63/981614163.db2.gz LMNJRASLTUGBTM-HQJQHLMTSA-N -3 3 367.326 0.556 20 0 FCADHL CC[C@@H](C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001594756291 981673348 /nfs/dbraw/zinc/67/33/48/981673348.db2.gz IVBNQAGHQXVXNM-SECBINFHSA-N -2 3 366.798 0.984 20 0 FCADHL CCN(C(=O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccccc1 ZINC001596143231 983496604 /nfs/dbraw/zinc/49/66/04/983496604.db2.gz MJZHCLZFCFIUOX-UHFFFAOYSA-N -2 3 352.372 0.439 20 0 FCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001588661451 983786196 /nfs/dbraw/zinc/78/61/96/983786196.db2.gz IZOYGRSCMAXWOX-GFCCVEGCSA-N -2 3 364.354 0.853 20 0 FCADHL CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001596536375 984377289 /nfs/dbraw/zinc/37/72/89/984377289.db2.gz SYHXMADETPQNLF-NSHDSACASA-N -2 3 368.367 0.826 20 0 FCADHL CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)[C@@H]2C1 ZINC001589055598 985157756 /nfs/dbraw/zinc/15/77/56/985157756.db2.gz CNXAUTNGUKPSQM-CYZMBNFOSA-N -2 3 356.400 0.903 20 0 FCADHL CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])cc2C1 ZINC001589093257 985283054 /nfs/dbraw/zinc/28/30/54/985283054.db2.gz KRZPWLMFXDOSOG-VIFPVBQESA-N -2 3 350.393 0.354 20 0 FCADHL C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C[C@@H](C)O1 ZINC001594499163 985663665 /nfs/dbraw/zinc/66/36/65/985663665.db2.gz LDISPUWTILNZBE-NXEZZACHSA-N -2 3 360.436 0.274 20 0 FCADHL C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001594507459 985728973 /nfs/dbraw/zinc/72/89/73/985728973.db2.gz OHIOKIHQPHPJBN-FKELJOFISA-N -2 3 365.430 0.676 20 0 FCADHL CCOc1cc(C(=O)[N-]c2cccc(S(=O)(=O)NCC(=O)[O-])c2)on1 ZINC001597011471 986357683 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C[C@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)c1nnc[nH]1 ZINC000827695282 601694735 /nfs/dbraw/zinc/69/47/35/601694735.db2.gz QEUBQVTUILMPSZ-VIFPVBQESA-N -2 3 356.342 0.402 20 0 FCADHL CC[C@H](NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)C(=O)[O-] ZINC000828958080 601750952 /nfs/dbraw/zinc/75/09/52/601750952.db2.gz SUUPWSNVCQOOIT-VIFPVBQESA-N -2 3 362.354 0.999 20 0 FCADHL C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1C(=O)[O-] ZINC000828341278 601762637 /nfs/dbraw/zinc/76/26/37/601762637.db2.gz PDLBLYHAFYTKBF-YUMQZZPRSA-N -2 3 366.848 0.859 20 0 FCADHL C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000828326145 601809230 /nfs/dbraw/zinc/80/92/30/601809230.db2.gz NBVOSWLYVKLOBU-KOLCDFICSA-N -2 3 356.400 0.903 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCn2ccnc2)c(Br)o1 ZINC000055329713 602141284 /nfs/dbraw/zinc/14/12/84/602141284.db2.gz TYYGDNLWHSDKDY-UHFFFAOYSA-N -2 3 364.177 0.915 20 0 FCADHL CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000831836708 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355.445 0.954 20 0 FCADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)c1-c1nnn[n-]1 ZINC000826304090 607683188 /nfs/dbraw/zinc/68/31/88/607683188.db2.gz VNMUDHOYGAKHDB-UHFFFAOYSA-N -2 3 360.403 0.832 20 0 FCADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)c1-c1nn[n-]n1 ZINC000826304090 607683190 /nfs/dbraw/zinc/68/31/90/607683190.db2.gz VNMUDHOYGAKHDB-UHFFFAOYSA-N -2 3 360.403 0.832 20 0 FCADHL C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000832803674 604359349 /nfs/dbraw/zinc/35/93/49/604359349.db2.gz ROTZVTNFXZIKTH-YFKPBYRVSA-N -2 3 356.169 0.946 20 0 FCADHL CN(C)C(=O)c1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825848417 607695062 /nfs/dbraw/zinc/69/50/62/607695062.db2.gz COGIOJBNOJOVGS-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CN(C)C(=O)c1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825848417 607695063 /nfs/dbraw/zinc/69/50/63/607695063.db2.gz COGIOJBNOJOVGS-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c(Br)o1 ZINC000227115265 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ZINC000821088442 606915731 /nfs/dbraw/zinc/91/57/31/606915731.db2.gz OFINIFWOIAEQHA-SNVBAGLBSA-N -2 3 368.419 0.337 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821088442 606915733 /nfs/dbraw/zinc/91/57/33/606915733.db2.gz OFINIFWOIAEQHA-SNVBAGLBSA-N -2 3 368.419 0.337 20 0 FCADHL COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821657255 606952149 /nfs/dbraw/zinc/95/21/49/606952149.db2.gz KWKDOIBXWSIZDY-VIFPVBQESA-N -2 3 367.387 0.012 20 0 FCADHL COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821657255 606952151 /nfs/dbraw/zinc/95/21/51/606952151.db2.gz KWKDOIBXWSIZDY-VIFPVBQESA-N -2 3 367.387 0.012 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)n1 ZINC000821629957 607035148 /nfs/dbraw/zinc/03/51/48/607035148.db2.gz HJKDRFDRILOLIK-UHFFFAOYSA-N -2 3 360.403 0.393 20 0 FCADHL O=C([O-])CCCCCNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823387052 607206933 /nfs/dbraw/zinc/20/69/33/607206933.db2.gz 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CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824199362 608010227 /nfs/dbraw/zinc/01/02/27/608010227.db2.gz IOPVGPGELRWQDD-SNVBAGLBSA-N -2 3 359.795 0.908 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826461238 608011303 /nfs/dbraw/zinc/01/13/03/608011303.db2.gz MJFZNDYBKFDOJB-SNVBAGLBSA-N -2 3 351.388 0.742 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826461238 608011304 /nfs/dbraw/zinc/01/13/04/608011304.db2.gz MJFZNDYBKFDOJB-SNVBAGLBSA-N -2 3 351.388 0.742 20 0 FCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825075527 608144814 /nfs/dbraw/zinc/14/48/14/608144814.db2.gz PDEIGCSNGAAJMR-VHSXEESVSA-N -2 3 353.404 0.879 20 0 FCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825075527 608144815 /nfs/dbraw/zinc/14/48/15/608144815.db2.gz PDEIGCSNGAAJMR-VHSXEESVSA-N -2 3 353.404 0.879 20 0 FCADHL CN1CCCc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc21 ZINC000826033395 608306878 /nfs/dbraw/zinc/30/68/78/608306878.db2.gz BZUMKJHCQQLEKJ-UHFFFAOYSA-N -2 3 360.403 0.773 20 0 FCADHL O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826428413 608307345 /nfs/dbraw/zinc/30/73/45/608307345.db2.gz BBKVDEHOCZFUCF-UHFFFAOYSA-N -2 3 374.386 0.283 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1OC ZINC000826211857 608307380 /nfs/dbraw/zinc/30/73/80/608307380.db2.gz XIBJADDPZTZSDN-UHFFFAOYSA-N -2 3 351.348 0.408 20 0 FCADHL O=C(OCc1n[nH]c(=O)[n-]1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826467690 608447141 /nfs/dbraw/zinc/44/71/41/608447141.db2.gz IMOXECQFQMPWFW-LLVKDONJSA-N -2 3 356.346 0.403 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826402555 609366560 /nfs/dbraw/zinc/36/65/60/609366560.db2.gz WYNIYKBVTSAMPR-QDZRJHCZSA-N -2 3 363.399 0.505 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826402555 609366563 /nfs/dbraw/zinc/36/65/63/609366563.db2.gz WYNIYKBVTSAMPR-QDZRJHCZSA-N -2 3 363.399 0.505 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826155073 609386066 /nfs/dbraw/zinc/38/60/66/609386066.db2.gz FQYHZUXRICHIHB-NSHDSACASA-N -2 3 367.431 0.875 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826155073 609386068 /nfs/dbraw/zinc/38/60/68/609386068.db2.gz FQYHZUXRICHIHB-NSHDSACASA-N -2 3 367.431 0.875 20 0 FCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000826162773 609469504 /nfs/dbraw/zinc/46/95/04/609469504.db2.gz RJVGPIDFUVPGFW-UHFFFAOYSA-N -2 3 365.375 0.416 20 0 FCADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(OCCC(=O)OC)cc1 ZINC000064375362 666457147 /nfs/dbraw/zinc/45/71/47/666457147.db2.gz CZJMCGZJWSUTPA-UHFFFAOYSA-N -2 3 373.431 0.921 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1ccccc1CC(=O)[O-] ZINC000912557485 666457771 /nfs/dbraw/zinc/45/77/71/666457771.db2.gz BIJOUHJKVZFUPT-UHFFFAOYSA-N -2 3 367.383 0.610 20 0 FCADHL CC(C)NC(=O)[N-][N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000062930804 666602774 /nfs/dbraw/zinc/60/27/74/666602774.db2.gz MFXIEVIMXLHUPT-UHFFFAOYSA-N -3 3 359.360 0.057 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)o1 ZINC000915060536 666818658 /nfs/dbraw/zinc/81/86/58/666818658.db2.gz MAXXBJOMMHZMNU-UHFFFAOYSA-N -2 3 370.387 0.087 20 0 FCADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2nnc3ccccc3c2[O-])s1 ZINC000732273979 666864047 /nfs/dbraw/zinc/86/40/47/666864047.db2.gz HZTRGTVNZOYKNP-UHFFFAOYSA-N -2 3 366.384 0.811 20 0 FCADHL CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000032587920 666884557 /nfs/dbraw/zinc/88/45/57/666884557.db2.gz NTPFSKVMURQCOF-UHFFFAOYSA-N -2 3 355.416 0.125 20 0 FCADHL CSc1nc(C)c(CCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)c(=O)[n-]1 ZINC000737189505 667760831 /nfs/dbraw/zinc/76/08/31/667760831.db2.gz NGUMNDBILVQGON-SNVBAGLBSA-N -2 3 365.419 0.258 20 0 FCADHL CSc1nc(C)c(CCC(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(=O)[n-]1 ZINC000737189505 667760834 /nfs/dbraw/zinc/76/08/34/667760834.db2.gz NGUMNDBILVQGON-SNVBAGLBSA-N -2 3 365.419 0.258 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000776437029 668261978 /nfs/dbraw/zinc/26/19/78/668261978.db2.gz GYVLOSWXZRBZKZ-NSHDSACASA-N -2 3 371.346 0.310 20 0 FCADHL CC[C@H](C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000776539963 668269596 /nfs/dbraw/zinc/26/95/96/668269596.db2.gz RCQVKVWRGOSSIE-SSDOTTSWSA-N -2 3 351.402 0.932 20 0 FCADHL C[C@H](CCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000776590418 668275786 /nfs/dbraw/zinc/27/57/86/668275786.db2.gz SSIHWJVDHAXGQZ-MRVPVSSYSA-N -2 3 368.408 0.586 20 0 FCADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])n1 ZINC000776644188 668282563 /nfs/dbraw/zinc/28/25/63/668282563.db2.gz KXBPQFYOEAMCHU-JTQLQIEISA-N -2 3 358.807 0.980 20 0 FCADHL CC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898244 668680896 /nfs/dbraw/zinc/68/08/96/668680896.db2.gz IINPUHMWWJTAJR-LLVKDONJSA-N -2 3 368.408 0.427 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788440265 668828686 /nfs/dbraw/zinc/82/86/86/668828686.db2.gz GLXWVKOSNRFPDH-ZCFIWIBFSA-N -2 3 371.820 0.874 20 0 FCADHL CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c(Cl)s1 ZINC000819091126 668977835 /nfs/dbraw/zinc/97/78/35/668977835.db2.gz BWHWMQIITRGZJB-IZLXSQMJSA-N -2 3 373.861 0.947 20 0 FCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)[O-] ZINC000821245874 669171002 /nfs/dbraw/zinc/17/10/02/669171002.db2.gz BHOIQWMNODBJJR-SNVBAGLBSA-N -2 3 358.807 0.751 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)CC(C)(C)C)nc1Cl ZINC000821247377 669171086 /nfs/dbraw/zinc/17/10/86/669171086.db2.gz GVCYREVVFADDLV-APPZFPTMSA-N -2 3 353.828 0.602 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCOCC(=O)[O-])ccc1F ZINC000823329178 669336035 /nfs/dbraw/zinc/33/60/35/669336035.db2.gz GVDDPCXADLKIIE-UHFFFAOYSA-N -2 3 362.379 0.343 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000824744848 669411415 /nfs/dbraw/zinc/41/14/15/669411415.db2.gz HGNIGHKVXVHGDM-RFAUZJTJSA-N -2 3 363.399 0.711 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000824744848 669411420 /nfs/dbraw/zinc/41/14/20/669411420.db2.gz HGNIGHKVXVHGDM-RFAUZJTJSA-N -2 3 363.399 0.711 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000824744847 669411634 /nfs/dbraw/zinc/41/16/34/669411634.db2.gz HGNIGHKVXVHGDM-PSLIRLAXSA-N -2 3 363.399 0.711 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000824744847 669411640 /nfs/dbraw/zinc/41/16/40/669411640.db2.gz HGNIGHKVXVHGDM-PSLIRLAXSA-N -2 3 363.399 0.711 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824867642 669422049 /nfs/dbraw/zinc/42/20/49/669422049.db2.gz PXUFIGNJAYUWBJ-MFKMUULPSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824867642 669422051 /nfs/dbraw/zinc/42/20/51/669422051.db2.gz PXUFIGNJAYUWBJ-MFKMUULPSA-N -2 3 365.415 0.628 20 0 FCADHL CCOC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000811673120 669763031 /nfs/dbraw/zinc/76/30/31/669763031.db2.gz DNWWRLAPFGHYNZ-QMMMGPOBSA-N -2 3 367.326 0.519 20 0 FCADHL CCOC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000811673905 669763043 /nfs/dbraw/zinc/76/30/43/669763043.db2.gz RJKMZTDSMONUKX-ZETCQYMHSA-N -2 3 366.779 0.290 20 0 FCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1 ZINC000833014087 669929734 /nfs/dbraw/zinc/92/97/34/669929734.db2.gz IMUZNJBBCGSUBY-UHFFFAOYSA-N -2 3 351.812 0.684 20 0 FCADHL CCCO[N-]C(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000834351112 669949113 /nfs/dbraw/zinc/94/91/13/669949113.db2.gz RINJTLGYYKELOV-UHFFFAOYSA-N -2 3 359.404 0.853 20 0 FCADHL COCc1nc2sc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)c(C)c2c(OC)n1 ZINC000816733624 669976025 /nfs/dbraw/zinc/97/60/25/669976025.db2.gz FRGSWMHESAPIOA-UHFFFAOYSA-N -2 3 366.359 0.541 20 0 FCADHL CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844895382 670954199 /nfs/dbraw/zinc/95/41/99/670954199.db2.gz MSAHAPDIRVLWFS-ZETCQYMHSA-N -2 3 371.383 0.765 20 0 FCADHL CCc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n[nH]1 ZINC000851701451 671460783 /nfs/dbraw/zinc/46/07/83/671460783.db2.gz GRRGKPUZFUEDTO-PSASIEDQSA-N -2 3 362.308 0.708 20 0 FCADHL Cc1noc(CCCN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000852735065 671521106 /nfs/dbraw/zinc/52/11/06/671521106.db2.gz FDXVKMQBRWMGOF-ONGXEEELSA-N -2 3 364.324 0.907 20 0 FCADHL CON(C)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871981869 672590262 /nfs/dbraw/zinc/59/02/62/672590262.db2.gz QADOXXLWHNUYJU-UHFFFAOYSA-N -2 3 373.250 0.980 20 0 FCADHL O=C(N[C@]12CCC[C@H]1CN(C(=O)c1cnc[n-]c1=O)C2)c1ncccc1[O-] ZINC001007358595 1212460513 /nfs/dbraw/zinc/46/05/13/1212460513.db2.gz BANAKMYSQMPTHN-VOJFVSQTSA-N -2 3 369.381 0.708 20 0 FCADHL Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c(C)nc[n-]c2=O)C3)c1[O-] ZINC001005266009 1253511854 /nfs/dbraw/zinc/51/18/54/1253511854.db2.gz IBTDIFCFCTYEBK-MXWKQRLJSA-N -2 3 372.385 0.403 20 0 FCADHL O=C([O-])C[C@@H](O)C(=O)Oc1cc([O-])cc([O-])c1C(=O)c1cccc(O)c1 ZINC001234161178 1259557167 /nfs/dbraw/zinc/55/71/67/1259557167.db2.gz IXYODZJIHJYEPQ-GFCCVEGCSA-N -3 3 362.290 0.775 20 0 FCADHL C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ncccc1[O-] ZINC001580299308 1278107557 /nfs/dbraw/zinc/10/75/57/1278107557.db2.gz ZQYKJUSZTGQZOV-QMMMGPOBSA-N -2 3 358.337 0.732 20 0 FCADHL C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ncccc1[O-] ZINC001580299308 1278107561 /nfs/dbraw/zinc/10/75/61/1278107561.db2.gz ZQYKJUSZTGQZOV-QMMMGPOBSA-N -2 3 358.337 0.732 20 0 FCADHL C[C@@H]1CN(c2ccnc(C(=O)NCc3nc([O-])cc(=O)[n-]3)c2)C[C@@H](C)O1 ZINC001301575218 1263012080 /nfs/dbraw/zinc/01/20/80/1263012080.db2.gz GBFSRHIBGWCEQT-GHMZBOCLSA-N -2 3 359.386 0.826 20 0 FCADHL CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001557703164 1268969308 /nfs/dbraw/zinc/96/93/08/1268969308.db2.gz JRNGERPDVWBIQH-UHFFFAOYSA-N -2 3 351.384 1.000 20 0 FCADHL C[C@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1[O-] ZINC001574666159 1271467131 /nfs/dbraw/zinc/46/71/31/1271467131.db2.gz ZAMWKEOVGDRSIN-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1[O-] ZINC001574666159 1271467133 /nfs/dbraw/zinc/46/71/33/1271467133.db2.gz ZAMWKEOVGDRSIN-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575842895 1272516069 /nfs/dbraw/zinc/51/60/69/1272516069.db2.gz DOQRRJCDTWOYNI-MRXNPFEDSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575842895 1272516078 /nfs/dbraw/zinc/51/60/78/1272516078.db2.gz DOQRRJCDTWOYNI-MRXNPFEDSA-N -2 3 367.373 0.156 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)c1[O-] ZINC001580720182 1278798400 /nfs/dbraw/zinc/79/84/00/1278798400.db2.gz PYSQSUDZICEZLV-ZETCQYMHSA-N -2 3 372.393 0.180 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)c1[O-] ZINC001580720182 1278798403 /nfs/dbraw/zinc/79/84/03/1278798403.db2.gz PYSQSUDZICEZLV-ZETCQYMHSA-N -2 3 372.393 0.180 20 0 FCADHL CC[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001576866282 1273836915 /nfs/dbraw/zinc/83/69/15/1273836915.db2.gz DDNBGYYVSYPPCH-SNVBAGLBSA-N -2 3 370.373 0.234 20 0 FCADHL CC[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001576866282 1273836920 /nfs/dbraw/zinc/83/69/20/1273836920.db2.gz DDNBGYYVSYPPCH-SNVBAGLBSA-N -2 3 370.373 0.234 20 0 FCADHL CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccc(-c2nnn[n-]2)nn1 ZINC001577618317 1274596770 /nfs/dbraw/zinc/59/67/70/1274596770.db2.gz ZUGANBOGSHLKRX-UHFFFAOYSA-N -2 3 372.393 0.040 20 0 FCADHL CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccc(-c2nn[n-]n2)nn1 ZINC001577618317 1274596776 /nfs/dbraw/zinc/59/67/76/1274596776.db2.gz ZUGANBOGSHLKRX-UHFFFAOYSA-N -2 3 372.393 0.040 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001580760126 1278884462 /nfs/dbraw/zinc/88/44/62/1278884462.db2.gz DRTWICNLVGSLSG-AOOOYVTPSA-N -2 3 367.373 0.439 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001580760126 1278884473 /nfs/dbraw/zinc/88/44/73/1278884473.db2.gz DRTWICNLVGSLSG-AOOOYVTPSA-N -2 3 367.373 0.439 20 0 FCADHL CCN(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)c1ncccc1[O-] ZINC001578073862 1275376981 /nfs/dbraw/zinc/37/69/81/1275376981.db2.gz VPZPHPFYQKQVAF-UHFFFAOYSA-N -2 3 370.373 0.188 20 0 FCADHL CCN(c1ncccc1-c1nn[n-]n1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001578207113 1275497822 /nfs/dbraw/zinc/49/78/22/1275497822.db2.gz MWBJEIGSYSHNKU-SECBINFHSA-N -2 3 371.405 0.644 20 0 FCADHL CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001578248655 1275551523 /nfs/dbraw/zinc/55/15/23/1275551523.db2.gz PNBJMSHHYKWAKB-PWSUYJOCSA-N -2 3 372.389 0.436 20 0 FCADHL CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1cc(-c2nn[n-]n2)ccn1 ZINC001578927307 1276468085 /nfs/dbraw/zinc/46/80/85/1276468085.db2.gz CHIXLAFHLWHEJL-UHFFFAOYSA-N -2 3 374.386 0.305 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001579266627 1277063024 /nfs/dbraw/zinc/06/30/24/1277063024.db2.gz VHXWVCBVACMQKN-UHFFFAOYSA-N -2 3 353.140 0.337 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001579266627 1277063025 /nfs/dbraw/zinc/06/30/25/1277063025.db2.gz VHXWVCBVACMQKN-UHFFFAOYSA-N -2 3 353.140 0.337 20 0 FCADHL COC[C@@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1CCCOC1 ZINC001579700805 1277796193 /nfs/dbraw/zinc/79/61/93/1277796193.db2.gz TUORIHGZPJNXEP-ZWNOBZJWSA-N -2 3 374.405 0.146 20 0 FCADHL Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001580932237 1279144816 /nfs/dbraw/zinc/14/48/16/1279144816.db2.gz TUNWFTHEZPTDJH-UHFFFAOYSA-N -2 3 369.320 0.338 20 0 FCADHL Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001580932237 1279144817 /nfs/dbraw/zinc/14/48/17/1279144817.db2.gz TUNWFTHEZPTDJH-UHFFFAOYSA-N -2 3 369.320 0.338 20 0 FCADHL CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603211932 1287332100 /nfs/dbraw/zinc/33/21/00/1287332100.db2.gz XZXQONSFJXKQRU-LLVKDONJSA-N -2 3 357.367 0.783 20 0 FCADHL CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603211934 1287332204 /nfs/dbraw/zinc/33/22/04/1287332204.db2.gz XZXQONSFJXKQRU-NSHDSACASA-N -2 3 357.367 0.783 20 0 FCADHL Cc1cc(=O)[n-]c(Cn2c(=O)c(-c3nnn[n-]3)ccc2C(F)(F)F)n1 ZINC001581040549 1279277813 /nfs/dbraw/zinc/27/78/13/1279277813.db2.gz WVGDKFVOEZZRPS-UHFFFAOYSA-N -2 3 353.264 0.900 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(N(C)CCN(C)C(=O)c2ncccc2[O-])n1 ZINC001581061711 1279311207 /nfs/dbraw/zinc/31/12/07/1279311207.db2.gz QVDLCLGIYJYYMD-UHFFFAOYSA-N -2 3 368.401 0.879 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581086828 1279353596 /nfs/dbraw/zinc/35/35/96/1279353596.db2.gz JWWVFHUXSQYLPO-RKDXNWHRSA-N -2 3 371.405 0.926 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581094548 1279372117 /nfs/dbraw/zinc/37/21/17/1279372117.db2.gz WAAMNQMMWQTZLW-MRVPVSSYSA-N -2 3 357.378 0.538 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001609241234 1289014734 /nfs/dbraw/zinc/01/47/34/1289014734.db2.gz JCYYGTPRXULNJM-UHFFFAOYSA-N -2 3 364.362 0.288 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001609241234 1289014740 /nfs/dbraw/zinc/01/47/40/1289014740.db2.gz JCYYGTPRXULNJM-UHFFFAOYSA-N -2 3 364.362 0.288 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001603447986 1287374522 /nfs/dbraw/zinc/37/45/22/1287374522.db2.gz BZWMMOAPUYMCKN-JQWIXIFHSA-N -2 3 365.415 0.877 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001603447986 1287374525 /nfs/dbraw/zinc/37/45/25/1287374525.db2.gz BZWMMOAPUYMCKN-JQWIXIFHSA-N -2 3 365.415 0.877 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)c1[O-] ZINC001581391537 1279821906 /nfs/dbraw/zinc/82/19/06/1279821906.db2.gz KNSPXQMZSBKZSC-LBPRGKRZSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)c1[O-] ZINC001581391537 1279821912 /nfs/dbraw/zinc/82/19/12/1279821912.db2.gz KNSPXQMZSBKZSC-LBPRGKRZSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581391558 1279822060 /nfs/dbraw/zinc/82/20/60/1279822060.db2.gz UEROVPDXVLOQJO-HTQZYQBOSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581391558 1279822061 /nfs/dbraw/zinc/82/20/61/1279822061.db2.gz UEROVPDXVLOQJO-HTQZYQBOSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)c1[O-] ZINC001581392070 1279823463 /nfs/dbraw/zinc/82/34/63/1279823463.db2.gz UZPRXHFRQMHNFY-SECBINFHSA-N -2 3 372.364 0.752 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)c1[O-] ZINC001581392070 1279823470 /nfs/dbraw/zinc/82/34/70/1279823470.db2.gz UZPRXHFRQMHNFY-SECBINFHSA-N -2 3 372.364 0.752 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1[O-] ZINC001581393003 1279830366 /nfs/dbraw/zinc/83/03/66/1279830366.db2.gz XYEJBQAVRVHQNE-KYZUINATSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1[O-] ZINC001581393003 1279830370 /nfs/dbraw/zinc/83/03/70/1279830370.db2.gz XYEJBQAVRVHQNE-KYZUINATSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1nsc(N2CCN(C(=O)c3ccc([O-])cn3)CC2)c1-c1nnn[n-]1 ZINC001581678537 1280386876 /nfs/dbraw/zinc/38/68/76/1280386876.db2.gz OQZJEGMXHDVJAB-UHFFFAOYSA-N -2 3 372.414 0.695 20 0 FCADHL NS(=O)(=O)c1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1[O-] ZINC001581907793 1280706260 /nfs/dbraw/zinc/70/62/60/1280706260.db2.gz QRQRAZINUCVCNC-UHFFFAOYSA-N -2 3 374.382 0.401 20 0 FCADHL O=C(NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1)c1ccccc1[O-] ZINC001582396699 1281459729 /nfs/dbraw/zinc/45/97/29/1281459729.db2.gz GZQVDIFKSMSEPT-UHFFFAOYSA-N -2 3 352.358 0.159 20 0 FCADHL O=C(NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1ncccc1[O-] ZINC001582403779 1281468374 /nfs/dbraw/zinc/46/83/74/1281468374.db2.gz ZMQCRTOLMVTKEM-UHFFFAOYSA-N -2 3 367.373 0.522 20 0 FCADHL O=C(NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1ncccc1[O-] ZINC001582403779 1281468377 /nfs/dbraw/zinc/46/83/77/1281468377.db2.gz ZMQCRTOLMVTKEM-UHFFFAOYSA-N -2 3 367.373 0.522 20 0 FCADHL O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ncccc1[O-] ZINC001582447514 1281546335 /nfs/dbraw/zinc/54/63/35/1281546335.db2.gz MYPJICCDZFLUFG-SNVBAGLBSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ncccc1[O-] ZINC001582447514 1281546347 /nfs/dbraw/zinc/54/63/47/1281546347.db2.gz MYPJICCDZFLUFG-SNVBAGLBSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582462832 1281581589 /nfs/dbraw/zinc/58/15/89/1281581589.db2.gz FZQJUQCYROIFNY-LLVKDONJSA-N -2 3 366.385 0.619 20 0 FCADHL O=C(NC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582462832 1281581596 /nfs/dbraw/zinc/58/15/96/1281581596.db2.gz FZQJUQCYROIFNY-LLVKDONJSA-N -2 3 366.385 0.619 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001603844629 1287516358 /nfs/dbraw/zinc/51/63/58/1287516358.db2.gz GWURDWMWNRNLMG-BDAKNGLRSA-N -2 3 369.378 0.737 20 0 FCADHL O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582538987 1281727908 /nfs/dbraw/zinc/72/79/08/1281727908.db2.gz BFYALASVWLWNDZ-UMSPYCQHSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)c1ncccc1[O-] ZINC001582606399 1281797185 /nfs/dbraw/zinc/79/71/85/1281797185.db2.gz ONPHQDYSQVOOGR-UMSPYCQHSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)c1ncccc1[O-] ZINC001582606399 1281797186 /nfs/dbraw/zinc/79/71/86/1281797186.db2.gz ONPHQDYSQVOOGR-UMSPYCQHSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001582751447 1281976464 /nfs/dbraw/zinc/97/64/64/1281976464.db2.gz HKIIKCRSNMXSNS-UHFFFAOYSA-N -2 3 367.373 0.110 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001582751447 1281976466 /nfs/dbraw/zinc/97/64/66/1281976466.db2.gz HKIIKCRSNMXSNS-UHFFFAOYSA-N -2 3 367.373 0.110 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001582751444 1281976507 /nfs/dbraw/zinc/97/65/07/1281976507.db2.gz HCQONMSNQFIYRP-UHFFFAOYSA-N -2 3 366.385 0.715 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001582751444 1281976509 /nfs/dbraw/zinc/97/65/09/1281976509.db2.gz HCQONMSNQFIYRP-UHFFFAOYSA-N -2 3 366.385 0.715 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001582751810 1281979017 /nfs/dbraw/zinc/97/90/17/1281979017.db2.gz XLBIUWOQJMNWLI-UHFFFAOYSA-N -2 3 366.385 0.715 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001582751810 1281979018 /nfs/dbraw/zinc/97/90/18/1281979018.db2.gz XLBIUWOQJMNWLI-UHFFFAOYSA-N -2 3 366.385 0.715 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001582790226 1282006965 /nfs/dbraw/zinc/00/69/65/1282006965.db2.gz HCQVATLYVMESNE-UHFFFAOYSA-N -2 3 374.357 0.855 20 0 FCADHL O=c1cc(CN2CCOC3(CCCC3)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814804 1282036925 /nfs/dbraw/zinc/03/69/25/1282036925.db2.gz SOBFTGNRTARSCT-UHFFFAOYSA-N -2 3 356.390 0.760 20 0 FCADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001604005817 1287551081 /nfs/dbraw/zinc/55/10/81/1287551081.db2.gz AEIPIUZTVDEXEO-VIFPVBQESA-N -2 3 369.403 0.749 20 0 FCADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001604005817 1287551087 /nfs/dbraw/zinc/55/10/87/1287551087.db2.gz AEIPIUZTVDEXEO-VIFPVBQESA-N -2 3 369.403 0.749 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001604081636 1287565896 /nfs/dbraw/zinc/56/58/96/1287565896.db2.gz HVWFXHKOWGEJSH-AWEZNQCLSA-N -2 3 369.378 0.881 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001604081665 1287568511 /nfs/dbraw/zinc/56/85/11/1287568511.db2.gz JQCUEERSWPVQER-HNNXBMFYSA-N -2 3 365.415 0.883 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001604081665 1287568513 /nfs/dbraw/zinc/56/85/13/1287568513.db2.gz JQCUEERSWPVQER-HNNXBMFYSA-N -2 3 365.415 0.883 20 0 FCADHL CC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC001604096002 1287568909 /nfs/dbraw/zinc/56/89/09/1287568909.db2.gz FONMOBKGOOSQAI-GHMZBOCLSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC001604096002 1287568917 /nfs/dbraw/zinc/56/89/17/1287568917.db2.gz FONMOBKGOOSQAI-GHMZBOCLSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001604095142 1287569312 /nfs/dbraw/zinc/56/93/12/1287569312.db2.gz AFTOGROEKWJWPV-RYUDHWBXSA-N -2 3 351.388 0.741 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001604095142 1287569316 /nfs/dbraw/zinc/56/93/16/1287569316.db2.gz AFTOGROEKWJWPV-RYUDHWBXSA-N -2 3 351.388 0.741 20 0 FCADHL CC[C@H]1CN(CC)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001604109045 1287571104 /nfs/dbraw/zinc/57/11/04/1287571104.db2.gz OITQMYJEJFBIJC-LBPRGKRZSA-N -2 3 357.422 0.531 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)s1 ZINC001588887232 1282722415 /nfs/dbraw/zinc/72/24/15/1282722415.db2.gz ZNNXWZGGYVTSHA-UHFFFAOYSA-N -2 3 366.388 0.477 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)s1 ZINC001588887232 1282722421 /nfs/dbraw/zinc/72/24/21/1282722421.db2.gz ZNNXWZGGYVTSHA-UHFFFAOYSA-N -2 3 366.388 0.477 20 0 FCADHL CC(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589619085 1282916772 /nfs/dbraw/zinc/91/67/72/1282916772.db2.gz FYYQUZDEDZUDIZ-UHFFFAOYSA-N -2 3 357.367 0.737 20 0 FCADHL CC(C)C[C@H](NC(=O)C(=O)Nc1sccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589660193 1282932056 /nfs/dbraw/zinc/93/20/56/1282932056.db2.gz PPQQYSMTIKSEDN-QMMMGPOBSA-N -2 3 352.376 0.482 20 0 FCADHL CC(C)C[C@H](NC(=O)C(=O)Nc1sccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589660193 1282932060 /nfs/dbraw/zinc/93/20/60/1282932060.db2.gz PPQQYSMTIKSEDN-QMMMGPOBSA-N -2 3 352.376 0.482 20 0 FCADHL C[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001604350324 1287611011 /nfs/dbraw/zinc/61/10/11/1287611011.db2.gz FNKAGPBKGVVTNT-UWVGGRQHSA-N -2 3 373.431 0.781 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001589792619 1283010466 /nfs/dbraw/zinc/01/04/66/1283010466.db2.gz HCPJXHUAXDANHH-BXKDBHETSA-N -2 3 366.403 0.272 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001589792619 1283010477 /nfs/dbraw/zinc/01/04/77/1283010477.db2.gz HCPJXHUAXDANHH-BXKDBHETSA-N -2 3 366.403 0.272 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590071784 1283202246 /nfs/dbraw/zinc/20/22/46/1283202246.db2.gz XQSMRVZGGUMUSU-CYBMUJFWSA-N -2 3 355.351 0.634 20 0 FCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cnccc2-c2nnn[n-]2)C1 ZINC001590142768 1283240495 /nfs/dbraw/zinc/24/04/95/1283240495.db2.gz OSVOKPQPKLKETN-ZDUSSCGKSA-N -2 3 369.307 0.545 20 0 FCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cnccc2-c2nn[n-]n2)C1 ZINC001590142768 1283240499 /nfs/dbraw/zinc/24/04/99/1283240499.db2.gz OSVOKPQPKLKETN-ZDUSSCGKSA-N -2 3 369.307 0.545 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590164088 1283256866 /nfs/dbraw/zinc/25/68/66/1283256866.db2.gz ACAVVPLXZZFMDS-JOYOIKCWSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CO1 ZINC001590183884 1283293382 /nfs/dbraw/zinc/29/33/82/1283293382.db2.gz UYOZRARWVAQYDA-BXKDBHETSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CO1 ZINC001590183884 1283293392 /nfs/dbraw/zinc/29/33/92/1283293392.db2.gz UYOZRARWVAQYDA-BXKDBHETSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC001590190074 1283295319 /nfs/dbraw/zinc/29/53/19/1283295319.db2.gz FMRFVSAVROGXNZ-YGOYTEALSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC001590190074 1283295327 /nfs/dbraw/zinc/29/53/27/1283295327.db2.gz FMRFVSAVROGXNZ-YGOYTEALSA-N -2 3 351.388 0.485 20 0 FCADHL CCO[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CC1 ZINC001604394904 1287631828 /nfs/dbraw/zinc/63/18/28/1287631828.db2.gz FZFMSRVCFFMFJI-GFCCVEGCSA-N -2 3 351.388 0.487 20 0 FCADHL CCO[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CC1 ZINC001604394904 1287631836 /nfs/dbraw/zinc/63/18/36/1287631836.db2.gz FZFMSRVCFFMFJI-GFCCVEGCSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001590238079 1283371582 /nfs/dbraw/zinc/37/15/82/1283371582.db2.gz FNMJJKSKUJIKCR-VHSXEESVSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001590238079 1283371594 /nfs/dbraw/zinc/37/15/94/1283371594.db2.gz FNMJJKSKUJIKCR-VHSXEESVSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1CC(=O)[O-] ZINC001590275953 1283403217 /nfs/dbraw/zinc/40/32/17/1283403217.db2.gz HQIGFHONLCFWQA-CMPLNLGQSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1CC(=O)[O-] ZINC001590275953 1283403221 /nfs/dbraw/zinc/40/32/21/1283403221.db2.gz HQIGFHONLCFWQA-CMPLNLGQSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1C(=O)[O-] ZINC001590276884 1283404974 /nfs/dbraw/zinc/40/49/74/1283404974.db2.gz RBUSXBOWNIJVJW-SKDRFNHKSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1C(=O)[O-] ZINC001590276884 1283404977 /nfs/dbraw/zinc/40/49/77/1283404977.db2.gz RBUSXBOWNIJVJW-SKDRFNHKSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H]1C(=O)[O-] ZINC001590277959 1283406119 /nfs/dbraw/zinc/40/61/19/1283406119.db2.gz ZMYOGKIWHQFWPG-LDWIPMOCSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H]1C(=O)[O-] ZINC001590277959 1283406122 /nfs/dbraw/zinc/40/61/22/1283406122.db2.gz ZMYOGKIWHQFWPG-LDWIPMOCSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1C(=O)[O-] ZINC001590308593 1283453224 /nfs/dbraw/zinc/45/32/24/1283453224.db2.gz HPMZYZWIFWTJBD-CABZTGNLSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1C(=O)[O-] ZINC001590308593 1283453232 /nfs/dbraw/zinc/45/32/32/1283453232.db2.gz HPMZYZWIFWTJBD-CABZTGNLSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590333791 1283477847 /nfs/dbraw/zinc/47/78/47/1283477847.db2.gz HDDUMVCPLDIBGH-QISWUMQESA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590333791 1283477855 /nfs/dbraw/zinc/47/78/55/1283477855.db2.gz HDDUMVCPLDIBGH-QISWUMQESA-N -2 3 365.415 0.731 20 0 FCADHL CC[C@@](C)(CNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590382605 1283509166 /nfs/dbraw/zinc/50/91/66/1283509166.db2.gz SBOLJKGNGADZIV-AWEZNQCLSA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@@](C)(CNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001590382605 1283509171 /nfs/dbraw/zinc/50/91/71/1283509171.db2.gz SBOLJKGNGADZIV-AWEZNQCLSA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590385898 1283515562 /nfs/dbraw/zinc/51/55/62/1283515562.db2.gz UEJDOVRFDAYSLU-AWEZNQCLSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590385898 1283515570 /nfs/dbraw/zinc/51/55/70/1283515570.db2.gz UEJDOVRFDAYSLU-AWEZNQCLSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590396677 1283521959 /nfs/dbraw/zinc/52/19/59/1283521959.db2.gz NOBJLQTTXAEQKN-CABZTGNLSA-N -2 3 353.404 0.987 20 0 FCADHL CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590396677 1283521968 /nfs/dbraw/zinc/52/19/68/1283521968.db2.gz NOBJLQTTXAEQKN-CABZTGNLSA-N -2 3 353.404 0.987 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1)C(=O)[O-] ZINC001590436197 1283534677 /nfs/dbraw/zinc/53/46/77/1283534677.db2.gz IEDJKSYUQMMMSA-JTQLQIEISA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1)C(=O)[O-] ZINC001590436197 1283534686 /nfs/dbraw/zinc/53/46/86/1283534686.db2.gz IEDJKSYUQMMMSA-JTQLQIEISA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)O1 ZINC001590505981 1283576829 /nfs/dbraw/zinc/57/68/29/1283576829.db2.gz RMTJNOGKJONNQT-KOLCDFICSA-N -2 3 352.376 0.024 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)O1 ZINC001590505981 1283576839 /nfs/dbraw/zinc/57/68/39/1283576839.db2.gz RMTJNOGKJONNQT-KOLCDFICSA-N -2 3 352.376 0.024 20 0 FCADHL CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(=O)[N-]OCC ZINC001590629976 1283667085 /nfs/dbraw/zinc/66/70/85/1283667085.db2.gz BXLFIFVEVRAZRR-UHFFFAOYSA-N -2 3 361.406 0.856 20 0 FCADHL CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)[N-]OCC ZINC001590629976 1283667102 /nfs/dbraw/zinc/66/71/02/1283667102.db2.gz BXLFIFVEVRAZRR-UHFFFAOYSA-N -2 3 361.406 0.856 20 0 FCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cn1 ZINC001590663461 1283710602 /nfs/dbraw/zinc/71/06/02/1283710602.db2.gz IMLLCLQWIWNSCA-UHFFFAOYSA-N -2 3 361.387 0.592 20 0 FCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC001590663461 1283710610 /nfs/dbraw/zinc/71/06/10/1283710610.db2.gz IMLLCLQWIWNSCA-UHFFFAOYSA-N -2 3 361.387 0.592 20 0 FCADHL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001590680988 1283729292 /nfs/dbraw/zinc/72/92/92/1283729292.db2.gz OGUGCKSBGAIYKI-SNVBAGLBSA-N -2 3 353.404 0.906 20 0 FCADHL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001590680988 1283729301 /nfs/dbraw/zinc/72/93/01/1283729301.db2.gz OGUGCKSBGAIYKI-SNVBAGLBSA-N -2 3 353.404 0.906 20 0 FCADHL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590745743 1283798923 /nfs/dbraw/zinc/79/89/23/1283798923.db2.gz PTEMOEBKEZEYDR-UHFFFAOYSA-N -2 3 373.398 0.812 20 0 FCADHL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590745743 1283798933 /nfs/dbraw/zinc/79/89/33/1283798933.db2.gz PTEMOEBKEZEYDR-UHFFFAOYSA-N -2 3 373.398 0.812 20 0 FCADHL CCOC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001590784793 1283840897 /nfs/dbraw/zinc/84/08/97/1283840897.db2.gz DXGRHGQCCYFTLG-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL CCOC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001590784793 1283840907 /nfs/dbraw/zinc/84/09/07/1283840907.db2.gz DXGRHGQCCYFTLG-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001590816778 1283896901 /nfs/dbraw/zinc/89/69/01/1283896901.db2.gz RXFWJGHLRZIZMC-ZDUSSCGKSA-N -2 3 360.374 0.055 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001590816778 1283896915 /nfs/dbraw/zinc/89/69/15/1283896915.db2.gz RXFWJGHLRZIZMC-ZDUSSCGKSA-N -2 3 360.374 0.055 20 0 FCADHL CCO[N-]C(=O)CNc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001590818733 1283900663 /nfs/dbraw/zinc/90/06/63/1283900663.db2.gz JKLCQDAHPJTDTE-UHFFFAOYSA-N -2 3 367.291 0.734 20 0 FCADHL CCO[N-]C(=O)CNc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001590818733 1283900674 /nfs/dbraw/zinc/90/06/74/1283900674.db2.gz JKLCQDAHPJTDTE-UHFFFAOYSA-N -2 3 367.291 0.734 20 0 FCADHL CCO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001590818715 1283901695 /nfs/dbraw/zinc/90/16/95/1283901695.db2.gz IJXSPZAYMCALKB-UHFFFAOYSA-N -2 3 355.152 0.635 20 0 FCADHL CCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001590818715 1283901701 /nfs/dbraw/zinc/90/17/01/1283901701.db2.gz IJXSPZAYMCALKB-UHFFFAOYSA-N -2 3 355.152 0.635 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)co1 ZINC001590910543 1283960363 /nfs/dbraw/zinc/96/03/63/1283960363.db2.gz FGXQUEBZQKVJIK-UHFFFAOYSA-N -2 3 362.371 0.677 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)co1 ZINC001590910543 1283960368 /nfs/dbraw/zinc/96/03/68/1283960368.db2.gz FGXQUEBZQKVJIK-UHFFFAOYSA-N -2 3 362.371 0.677 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)co1 ZINC001590910670 1283961347 /nfs/dbraw/zinc/96/13/47/1283961347.db2.gz LVSOYLMBNUHTGZ-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)co1 ZINC001590910670 1283961353 /nfs/dbraw/zinc/96/13/53/1283961353.db2.gz LVSOYLMBNUHTGZ-UHFFFAOYSA-N -2 3 362.371 0.844 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)ccn1 ZINC001591027453 1284089127 /nfs/dbraw/zinc/08/91/27/1284089127.db2.gz IHHVAXJLUDBKCK-UHFFFAOYSA-N -2 3 373.398 0.446 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)ccn1 ZINC001591027453 1284089135 /nfs/dbraw/zinc/08/91/35/1284089135.db2.gz IHHVAXJLUDBKCK-UHFFFAOYSA-N -2 3 373.398 0.446 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001591151991 1284221583 /nfs/dbraw/zinc/22/15/83/1284221583.db2.gz MULFRMLPZDUOLK-GFCCVEGCSA-N -2 3 370.373 0.583 20 0 FCADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)cc1 ZINC001591269988 1284424517 /nfs/dbraw/zinc/42/45/17/1284424517.db2.gz QTQYNKWTEICPSL-UHFFFAOYSA-N -2 3 374.382 0.778 20 0 FCADHL CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591315625 1284464560 /nfs/dbraw/zinc/46/45/60/1284464560.db2.gz YGWFHUZZVBQZCR-INIZCTEOSA-N -2 3 360.374 0.005 20 0 FCADHL CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001591321237 1284470233 /nfs/dbraw/zinc/47/02/33/1284470233.db2.gz KHPRYGLKHXKMSI-JTQLQIEISA-N -2 3 353.404 0.628 20 0 FCADHL CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001591321237 1284470237 /nfs/dbraw/zinc/47/02/37/1284470237.db2.gz KHPRYGLKHXKMSI-JTQLQIEISA-N -2 3 353.404 0.628 20 0 FCADHL CO[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001591348571 1284484638 /nfs/dbraw/zinc/48/46/38/1284484638.db2.gz WDJWDCQPEZPBOQ-MNOVXSKESA-N -2 3 351.388 0.487 20 0 FCADHL CO[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591348571 1284484644 /nfs/dbraw/zinc/48/46/44/1284484644.db2.gz WDJWDCQPEZPBOQ-MNOVXSKESA-N -2 3 351.388 0.487 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@](C)(C(=O)[O-])C1 ZINC001591362578 1284499902 /nfs/dbraw/zinc/49/99/02/1284499902.db2.gz QRTNVULYRGZXIO-XPTSAGLGSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@](C)(C(=O)[O-])C1 ZINC001591362578 1284499906 /nfs/dbraw/zinc/49/99/06/1284499906.db2.gz QRTNVULYRGZXIO-XPTSAGLGSA-N -2 3 367.387 0.119 20 0 FCADHL COCC1(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2C(C)=O)CC1 ZINC001591391022 1284530503 /nfs/dbraw/zinc/53/05/03/1284530503.db2.gz TWPMMLKXZOGNIE-UHFFFAOYSA-N -2 3 351.388 0.990 20 0 FCADHL COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCC(=O)[O-] ZINC001591442490 1284598662 /nfs/dbraw/zinc/59/86/62/1284598662.db2.gz GFKHKXBCJMZNAR-UHFFFAOYSA-N -2 3 364.362 0.878 20 0 FCADHL COCCc1ccnc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001591447924 1284605369 /nfs/dbraw/zinc/60/53/69/1284605369.db2.gz NIILJFORSRGHTQ-UHFFFAOYSA-N -2 3 361.387 0.646 20 0 FCADHL COCCc1ccnc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001591447924 1284605383 /nfs/dbraw/zinc/60/53/83/1284605383.db2.gz NIILJFORSRGHTQ-UHFFFAOYSA-N -2 3 361.387 0.646 20 0 FCADHL COCOCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001591452172 1284617742 /nfs/dbraw/zinc/61/77/42/1284617742.db2.gz WYKTXRMHFJYDNO-UHFFFAOYSA-N -2 3 363.346 0.434 20 0 FCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC001604677570 1287725514 /nfs/dbraw/zinc/72/55/14/1287725514.db2.gz SKJQPFWYHAAWPM-KWQFWETISA-N -2 3 368.371 0.184 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CC1(F)F ZINC001591507612 1284695890 /nfs/dbraw/zinc/69/58/90/1284695890.db2.gz XPVWXXQJQJDGCC-GFCCVEGCSA-N -2 3 373.341 0.726 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CC1(F)F ZINC001591507612 1284695900 /nfs/dbraw/zinc/69/59/00/1284695900.db2.gz XPVWXXQJQJDGCC-GFCCVEGCSA-N -2 3 373.341 0.726 20 0 FCADHL COc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC001591658142 1284785241 /nfs/dbraw/zinc/78/52/41/1284785241.db2.gz PYNKQNIHRMNQHK-UHFFFAOYSA-N -2 3 351.323 0.605 20 0 FCADHL COc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC001591658142 1284785243 /nfs/dbraw/zinc/78/52/43/1284785243.db2.gz PYNKQNIHRMNQHK-UHFFFAOYSA-N -2 3 351.323 0.605 20 0 FCADHL CSCC[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001591700823 1284837739 /nfs/dbraw/zinc/83/77/39/1284837739.db2.gz WAWCUHFMISRQQM-SNVBAGLBSA-N -2 3 357.417 0.351 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001591989685 1285045353 /nfs/dbraw/zinc/04/53/53/1285045353.db2.gz XSCUSZPTKGRNCP-AWEZNQCLSA-N -2 3 369.378 0.800 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc(-c2nnn[n-]2)c1 ZINC001592011627 1285059766 /nfs/dbraw/zinc/05/97/66/1285059766.db2.gz MIXYWVKOZIUULB-MRXNPFEDSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc(-c2nn[n-]n2)c1 ZINC001592011627 1285059768 /nfs/dbraw/zinc/05/97/68/1285059768.db2.gz MIXYWVKOZIUULB-MRXNPFEDSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc(-c2nnn[n-]2)c1 ZINC001592015119 1285070065 /nfs/dbraw/zinc/07/00/65/1285070065.db2.gz ZOYIUWRKEDIPGX-ZDUSSCGKSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc(-c2nn[n-]n2)c1 ZINC001592015119 1285070072 /nfs/dbraw/zinc/07/00/72/1285070072.db2.gz ZOYIUWRKEDIPGX-ZDUSSCGKSA-N -2 3 372.385 0.731 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592065095 1285105241 /nfs/dbraw/zinc/10/52/41/1285105241.db2.gz HTVLVAOMOQWFQT-SKDRFNHKSA-N -2 3 367.387 0.038 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592065095 1285105252 /nfs/dbraw/zinc/10/52/52/1285105252.db2.gz HTVLVAOMOQWFQT-SKDRFNHKSA-N -2 3 367.387 0.038 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-] ZINC001592109095 1285143562 /nfs/dbraw/zinc/14/35/62/1285143562.db2.gz RTPWVBOQNHVTRF-LBPRGKRZSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCOC1 ZINC001592109434 1285143642 /nfs/dbraw/zinc/14/36/42/1285143642.db2.gz LALFZKBHCAOHJT-LLVKDONJSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCOC1 ZINC001592109434 1285143650 /nfs/dbraw/zinc/14/36/50/1285143650.db2.gz LALFZKBHCAOHJT-LLVKDONJSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC001592109365 1285143987 /nfs/dbraw/zinc/14/39/87/1285143987.db2.gz HTVBBDDIWQBKSH-ABAIWWIYSA-N -2 3 363.399 0.407 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC001592109365 1285143992 /nfs/dbraw/zinc/14/39/92/1285143992.db2.gz HTVBBDDIWQBKSH-ABAIWWIYSA-N -2 3 363.399 0.407 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001592146182 1285159475 /nfs/dbraw/zinc/15/94/75/1285159475.db2.gz MGTMYISFWSKJNT-UHFFFAOYSA-N -2 3 358.383 0.618 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001592146182 1285159478 /nfs/dbraw/zinc/15/94/78/1285159478.db2.gz MGTMYISFWSKJNT-UHFFFAOYSA-N -2 3 358.383 0.618 20 0 FCADHL CN(CCNc1ncc(-c2nnn[n-]2)cc1F)C(=O)c1ncccc1[O-] ZINC001604777968 1287777131 /nfs/dbraw/zinc/77/71/31/1287777131.db2.gz UOHAVBQFXFOZIP-UHFFFAOYSA-N -2 3 358.337 0.686 20 0 FCADHL CN(CCNc1ncc(-c2nn[n-]n2)cc1F)C(=O)c1ncccc1[O-] ZINC001604777968 1287777137 /nfs/dbraw/zinc/77/71/37/1287777137.db2.gz UOHAVBQFXFOZIP-UHFFFAOYSA-N -2 3 358.337 0.686 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC001592408486 1285320490 /nfs/dbraw/zinc/32/04/90/1285320490.db2.gz VAEFUFFZVWDBIJ-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC001592408486 1285320499 /nfs/dbraw/zinc/32/04/99/1285320499.db2.gz VAEFUFFZVWDBIJ-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ncccc1-c1nnn[n-]1 ZINC001592431092 1285363843 /nfs/dbraw/zinc/36/38/43/1285363843.db2.gz JENLCEHKLUZQDX-UHFFFAOYSA-N -2 3 354.783 0.758 20 0 FCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ncccc1-c1nn[n-]n1 ZINC001592431092 1285363848 /nfs/dbraw/zinc/36/38/48/1285363848.db2.gz JENLCEHKLUZQDX-UHFFFAOYSA-N -2 3 354.783 0.758 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001592459327 1285395531 /nfs/dbraw/zinc/39/55/31/1285395531.db2.gz DWNDZADJDMBQFX-UHFFFAOYSA-N -2 3 351.348 0.227 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001592459327 1285395541 /nfs/dbraw/zinc/39/55/41/1285395541.db2.gz DWNDZADJDMBQFX-UHFFFAOYSA-N -2 3 351.348 0.227 20 0 FCADHL Cc1noc(C)c1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592458251 1285395964 /nfs/dbraw/zinc/39/59/64/1285395964.db2.gz BEPBOVGKEXLWPJ-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1noc(C)c1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592458251 1285395976 /nfs/dbraw/zinc/39/59/76/1285395976.db2.gz BEPBOVGKEXLWPJ-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001592496901 1285426161 /nfs/dbraw/zinc/42/61/61/1285426161.db2.gz OJAJPIPSOPADGP-UHFFFAOYSA-N -2 3 358.280 0.519 20 0 FCADHL Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001592496901 1285426165 /nfs/dbraw/zinc/42/61/65/1285426165.db2.gz OJAJPIPSOPADGP-UHFFFAOYSA-N -2 3 358.280 0.519 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C[C@H]2CCCC(C)(C)O2)n1 ZINC001592560310 1285472468 /nfs/dbraw/zinc/47/24/68/1285472468.db2.gz ZXZRXTRLCZSOIX-SECBINFHSA-N -2 3 355.424 0.690 20 0 FCADHL Cn1cc(C2=NO[C@H](C(=O)[N-]Oc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001592570314 1285485330 /nfs/dbraw/zinc/48/53/30/1285485330.db2.gz PQVKXKIIFBBHEO-ZDUSSCGKSA-N -2 3 354.330 0.203 20 0 FCADHL Cn1cc(C2=NO[C@H](C(=O)[N-]Oc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC001592570314 1285485335 /nfs/dbraw/zinc/48/53/35/1285485335.db2.gz PQVKXKIIFBBHEO-ZDUSSCGKSA-N -2 3 354.330 0.203 20 0 FCADHL Cn1[n-]c(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)nc1=O ZINC001592596093 1285529173 /nfs/dbraw/zinc/52/91/73/1285529173.db2.gz ZQOJXDRWTCTPSV-UHFFFAOYSA-N -2 3 369.263 0.664 20 0 FCADHL O=C(C=Cc1ccncn1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592802415 1285723507 /nfs/dbraw/zinc/72/35/07/1285723507.db2.gz SOVDSUBARMYYBG-PLNGDYQASA-N -2 3 357.355 0.175 20 0 FCADHL O=C(C=Cc1ccncn1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592802415 1285723514 /nfs/dbraw/zinc/72/35/14/1285723514.db2.gz SOVDSUBARMYYBG-PLNGDYQASA-N -2 3 357.355 0.175 20 0 FCADHL O=C(C[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001592826073 1285740354 /nfs/dbraw/zinc/74/03/54/1285740354.db2.gz FCUVONTVFXCDIK-VIFPVBQESA-N -2 3 369.378 0.378 20 0 FCADHL O=C(C[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001592826073 1285740355 /nfs/dbraw/zinc/74/03/55/1285740355.db2.gz FCUVONTVFXCDIK-VIFPVBQESA-N -2 3 369.378 0.378 20 0 FCADHL O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592831301 1285745803 /nfs/dbraw/zinc/74/58/03/1285745803.db2.gz NCVIAPMRIDFAGK-LLVKDONJSA-N -2 3 351.388 0.631 20 0 FCADHL O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592831301 1285745810 /nfs/dbraw/zinc/74/58/10/1285745810.db2.gz NCVIAPMRIDFAGK-LLVKDONJSA-N -2 3 351.388 0.631 20 0 FCADHL O=C(CCc1cncs1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592855870 1285759513 /nfs/dbraw/zinc/75/95/13/1285759513.db2.gz CCJZRNQFTSDRAY-UHFFFAOYSA-N -2 3 365.400 0.156 20 0 FCADHL O=C(CCc1cncs1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592855870 1285759517 /nfs/dbraw/zinc/75/95/17/1285759517.db2.gz CCJZRNQFTSDRAY-UHFFFAOYSA-N -2 3 365.400 0.156 20 0 FCADHL O=C(CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001592867683 1285775069 /nfs/dbraw/zinc/77/50/69/1285775069.db2.gz OAWZDCLRRWIBIK-LLVKDONJSA-N -2 3 369.389 0.509 20 0 FCADHL O=C(CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001592867683 1285775075 /nfs/dbraw/zinc/77/50/75/1285775075.db2.gz OAWZDCLRRWIBIK-LLVKDONJSA-N -2 3 369.389 0.509 20 0 FCADHL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)COc3ccc(-c4nn[n-]n4)cc3)[C@@H]2C1 ZINC001592889732 1285795750 /nfs/dbraw/zinc/79/57/50/1285795750.db2.gz WVDCCZKELIHDAR-WVWOOGAGSA-N -2 3 357.370 0.861 20 0 FCADHL O=C([O-])[C@H](CC(F)(F)F)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001592888750 1285796034 /nfs/dbraw/zinc/79/60/34/1285796034.db2.gz DXSFCAVWQIFZOH-VIFPVBQESA-N -2 3 359.264 0.767 20 0 FCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC001592897693 1285801573 /nfs/dbraw/zinc/80/15/73/1285801573.db2.gz LWGOUQCWSJMNDR-UHFFFAOYSA-N -2 3 373.341 0.489 20 0 FCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC001592897693 1285801581 /nfs/dbraw/zinc/80/15/81/1285801581.db2.gz LWGOUQCWSJMNDR-UHFFFAOYSA-N -2 3 373.341 0.489 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592910474 1285804646 /nfs/dbraw/zinc/80/46/46/1285804646.db2.gz SZTFXNUOUOBFNV-LBPRGKRZSA-N -2 3 354.374 0.639 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592910474 1285804653 /nfs/dbraw/zinc/80/46/53/1285804653.db2.gz SZTFXNUOUOBFNV-LBPRGKRZSA-N -2 3 354.374 0.639 20 0 FCADHL O=C(CSc1n[n-]c(=S)s1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592906893 1285806440 /nfs/dbraw/zinc/80/64/40/1285806440.db2.gz XJJZTZUCTILQLU-UHFFFAOYSA-N -2 3 366.457 0.810 20 0 FCADHL O=C(CSc1n[n-]c(=S)s1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592906893 1285806448 /nfs/dbraw/zinc/80/64/48/1285806448.db2.gz XJJZTZUCTILQLU-UHFFFAOYSA-N -2 3 366.457 0.810 20 0 FCADHL O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592924419 1285813306 /nfs/dbraw/zinc/81/33/06/1285813306.db2.gz ONFZYMANZMLCKS-UHFFFAOYSA-N -2 3 362.346 0.448 20 0 FCADHL O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592924419 1285813312 /nfs/dbraw/zinc/81/33/12/1285813312.db2.gz ONFZYMANZMLCKS-UHFFFAOYSA-N -2 3 362.346 0.448 20 0 FCADHL O=C(NCC=CCNc1ncccc1-c1nnn[n-]1)c1ncccc1[O-] ZINC001593055165 1285948577 /nfs/dbraw/zinc/94/85/77/1285948577.db2.gz KHCHKALCQYUFQZ-OWOJBTEDSA-N -2 3 352.358 0.760 20 0 FCADHL O=C(NCC=CCNc1ncccc1-c1nn[n-]n1)c1ncccc1[O-] ZINC001593055165 1285948582 /nfs/dbraw/zinc/94/85/82/1285948582.db2.gz KHCHKALCQYUFQZ-OWOJBTEDSA-N -2 3 352.358 0.760 20 0 FCADHL CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609280679 1289043534 /nfs/dbraw/zinc/04/35/34/1289043534.db2.gz SQTAOIULOFIERL-UHFFFAOYSA-N -2 3 372.410 0.973 20 0 FCADHL CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609280679 1289043535 /nfs/dbraw/zinc/04/35/35/1289043535.db2.gz SQTAOIULOFIERL-UHFFFAOYSA-N -2 3 372.410 0.973 20 0 FCADHL O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593170276 1286025292 /nfs/dbraw/zinc/02/52/92/1286025292.db2.gz IYZRLCGWCHHYJH-QMMMGPOBSA-N -2 3 357.779 0.369 20 0 FCADHL O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001593170276 1286025298 /nfs/dbraw/zinc/02/52/98/1286025298.db2.gz IYZRLCGWCHHYJH-QMMMGPOBSA-N -2 3 357.779 0.369 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC001593168789 1286026084 /nfs/dbraw/zinc/02/60/84/1286026084.db2.gz DIXFMMHZQJWVKW-MRVPVSSYSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC001593168789 1286026086 /nfs/dbraw/zinc/02/60/86/1286026086.db2.gz DIXFMMHZQJWVKW-MRVPVSSYSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001593272278 1286056254 /nfs/dbraw/zinc/05/62/54/1286056254.db2.gz AAEWSLJVCFPZMA-APPZFPTMSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001593272278 1286056258 /nfs/dbraw/zinc/05/62/58/1286056258.db2.gz AAEWSLJVCFPZMA-APPZFPTMSA-N -2 3 369.790 0.828 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCN(S(=O)(=O)c3cc(F)cc(-c4nnn[n-]4)c3)C[C@@H]21 ZINC001593273408 1286057516 /nfs/dbraw/zinc/05/75/16/1286057516.db2.gz GROLVLKSDMCRKA-GRYCIOLGSA-N -2 3 367.362 0.347 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCN(S(=O)(=O)c3cc(F)cc(-c4nn[n-]n4)c3)C[C@@H]21 ZINC001593273408 1286057520 /nfs/dbraw/zinc/05/75/20/1286057520.db2.gz GROLVLKSDMCRKA-GRYCIOLGSA-N -2 3 367.362 0.347 20 0 FCADHL O=C([O-])[C@H](CC(F)F)NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593275500 1286058382 /nfs/dbraw/zinc/05/83/82/1286058382.db2.gz FCDZHOGRZHCRIO-VIFPVBQESA-N -2 3 361.330 0.395 20 0 FCADHL O=C([O-])[C@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C1CCC1 ZINC001593275029 1286058565 /nfs/dbraw/zinc/05/85/65/1286058565.db2.gz CMPXTCNKPMGGFT-GFCCVEGCSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])[C@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C1CCC1 ZINC001593275029 1286058568 /nfs/dbraw/zinc/05/85/68/1286058568.db2.gz CMPXTCNKPMGGFT-GFCCVEGCSA-N -2 3 369.378 0.679 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001593275865 1286058945 /nfs/dbraw/zinc/05/89/45/1286058945.db2.gz YDVYSDQNSFSZPO-VIFPVBQESA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001593275865 1286058950 /nfs/dbraw/zinc/05/89/50/1286058950.db2.gz YDVYSDQNSFSZPO-VIFPVBQESA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001593275505 1286059029 /nfs/dbraw/zinc/05/90/29/1286059029.db2.gz CCNNEXPIJJCKMO-VIFPVBQESA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001593275505 1286059033 /nfs/dbraw/zinc/05/90/33/1286059033.db2.gz CCNNEXPIJJCKMO-VIFPVBQESA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CCC1 ZINC001593276475 1286059331 /nfs/dbraw/zinc/05/93/31/1286059331.db2.gz KHLRRLWIQNHIBH-UHFFFAOYSA-N -2 3 352.376 0.185 20 0 FCADHL O=C([O-])CC1(CNS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CCC1 ZINC001593276475 1286059337 /nfs/dbraw/zinc/05/93/37/1286059337.db2.gz KHLRRLWIQNHIBH-UHFFFAOYSA-N -2 3 352.376 0.185 20 0 FCADHL O=C([O-])[C@H](C(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1)C1CC1 ZINC001593277062 1286060908 /nfs/dbraw/zinc/06/09/08/1286060908.db2.gz YGDJUAGWXRWIBS-AWEZNQCLSA-N -2 3 374.376 0.765 20 0 FCADHL O=C([O-])[C@H](C(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1)C1CC1 ZINC001593277062 1286060909 /nfs/dbraw/zinc/06/09/09/1286060909.db2.gz YGDJUAGWXRWIBS-AWEZNQCLSA-N -2 3 374.376 0.765 20 0 FCADHL O=C([O-])CN(CC(F)(F)F)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001593278656 1286062206 /nfs/dbraw/zinc/06/22/06/1286062206.db2.gz RUZTXTKNIUFYCF-UHFFFAOYSA-N -2 3 365.293 0.504 20 0 FCADHL O=C([O-])CN(CC(F)(F)F)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001593278656 1286062207 /nfs/dbraw/zinc/06/22/07/1286062207.db2.gz RUZTXTKNIUFYCF-UHFFFAOYSA-N -2 3 365.293 0.504 20 0 FCADHL O=C([O-])c1ccc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nc1 ZINC001593284249 1286065135 /nfs/dbraw/zinc/06/51/35/1286065135.db2.gz ZZYKUSBEOWBKFF-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])c1ccc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nc1 ZINC001593284249 1286065137 /nfs/dbraw/zinc/06/51/37/1286065137.db2.gz ZZYKUSBEOWBKFF-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C1Cc2cc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)ccc2N1 ZINC001593402049 1286123646 /nfs/dbraw/zinc/12/36/46/1286123646.db2.gz VWZKZJYNZDURDM-UHFFFAOYSA-N -2 3 357.355 0.557 20 0 FCADHL O=C1Cc2cc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)ccc2N1 ZINC001593402049 1286123649 /nfs/dbraw/zinc/12/36/49/1286123649.db2.gz VWZKZJYNZDURDM-UHFFFAOYSA-N -2 3 357.355 0.557 20 0 FCADHL O=C1c2ccccc2CCN1[N-]S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001593414830 1286138346 /nfs/dbraw/zinc/13/83/46/1286138346.db2.gz XDCDBUFMHKHQLF-UHFFFAOYSA-N -2 3 371.382 0.154 20 0 FCADHL O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1cncc(-c2nnn[n-]2)c1 ZINC001593445314 1286159846 /nfs/dbraw/zinc/15/98/46/1286159846.db2.gz RSDOQOBEPMQBJR-UHFFFAOYSA-N -2 3 360.355 0.834 20 0 FCADHL O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1cncc(-c2nn[n-]n2)c1 ZINC001593445314 1286159849 /nfs/dbraw/zinc/15/98/49/1286159849.db2.gz RSDOQOBEPMQBJR-UHFFFAOYSA-N -2 3 360.355 0.834 20 0 FCADHL O=c1cc(CN2CCC[C@@H]2c2ncccn2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593538770 1286199661 /nfs/dbraw/zinc/19/96/61/1286199661.db2.gz FIDKTSAVQGDOAT-GFCCVEGCSA-N -2 3 364.373 0.742 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)CCc3ocnc3C(=O)[O-])CC2)n1 ZINC001600065444 1286435005 /nfs/dbraw/zinc/43/50/05/1286435005.db2.gz VRIYYESPLJHPAU-UHFFFAOYSA-N -2 3 361.358 0.458 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C2)n1 ZINC001600064833 1286435444 /nfs/dbraw/zinc/43/54/44/1286435444.db2.gz GSXVUUMRRFCJGV-ONGXEEELSA-N -2 3 358.420 0.100 20 0 FCADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1F ZINC001600115052 1286443933 /nfs/dbraw/zinc/44/39/33/1286443933.db2.gz NBVIXMDVMFBYAM-UHFFFAOYSA-N -2 3 374.390 0.660 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CCc2nnc3ccccn32)oc1C(=O)[O-] ZINC001600300032 1286472615 /nfs/dbraw/zinc/47/26/15/1286472615.db2.gz UCHRSRAFAGXICV-UHFFFAOYSA-N -2 3 350.356 0.850 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@]2(C)COc3ccccc3O2)c1C(=O)[O-] ZINC001600672549 1286522233 /nfs/dbraw/zinc/52/22/33/1286522233.db2.gz FVPIKEWPYIALOA-HNNXBMFYSA-N -2 3 367.383 0.925 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2COc3cc(F)ccc3C2)c1C(=O)[O-] ZINC001600673435 1286525254 /nfs/dbraw/zinc/52/52/54/1286525254.db2.gz QJMCBVJNLHJKJK-JTQLQIEISA-N -2 3 355.347 0.837 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC(=O)Nc2ccccc2)c1C(=O)[O-] ZINC001600673718 1286525273 /nfs/dbraw/zinc/52/52/73/1286525273.db2.gz MCPMFNCVDRPLOX-UHFFFAOYSA-N -2 3 352.372 0.723 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@H](C)C2)c1C(=O)[O-] ZINC001600673633 1286525495 /nfs/dbraw/zinc/52/54/95/1286525495.db2.gz LBVXHJMURQFUSX-VIFPVBQESA-N -2 3 358.420 0.343 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[Si](C)(C)c2ccccc2)c1C(=O)[O-] ZINC001600674094 1286526134 /nfs/dbraw/zinc/52/61/34/1286526134.db2.gz ORYXGNBORRSSHY-UHFFFAOYSA-N -2 3 353.476 0.849 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CO)CCc2ccccc2)c1C(=O)[O-] ZINC001600674958 1286526199 /nfs/dbraw/zinc/52/61/99/1286526199.db2.gz UJJMVPHVDAZLBG-LBPRGKRZSA-N -2 3 353.400 0.688 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001600809736 1286549750 /nfs/dbraw/zinc/54/97/50/1286549750.db2.gz HZATZBDVWFQFSO-UHFFFAOYSA-N -2 3 367.383 0.836 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001600809695 1286550300 /nfs/dbraw/zinc/55/03/00/1286550300.db2.gz DULZNZBDIMKFEU-ZETCQYMHSA-N -2 3 373.309 0.092 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CC2(CS(C)(=O)=O)CCC2)cc1C(=O)[O-] ZINC001600857297 1286559256 /nfs/dbraw/zinc/55/92/56/1286559256.db2.gz GKLZANQGKPNDBI-UHFFFAOYSA-N -2 3 365.429 0.779 20 0 FCADHL COC1(CC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCC1 ZINC001609312730 1289083347 /nfs/dbraw/zinc/08/33/47/1289083347.db2.gz ONHKWXXTPOCMAV-UHFFFAOYSA-N -2 3 365.415 0.939 20 0 FCADHL COC1(CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCC1 ZINC001609312730 1289083353 /nfs/dbraw/zinc/08/33/53/1289083353.db2.gz ONHKWXXTPOCMAV-UHFFFAOYSA-N -2 3 365.415 0.939 20 0 FCADHL Cn1c(=O)ccc2c1CCC[C@H]2[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001600923069 1286569989 /nfs/dbraw/zinc/56/99/89/1286569989.db2.gz VNCDDMRJAFBXSU-SECBINFHSA-N -2 3 369.424 0.896 20 0 FCADHL Cn1cc(C(=O)[O-])cc1S(=O)(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001600936817 1286573847 /nfs/dbraw/zinc/57/38/47/1286573847.db2.gz GQHADOOMZIZUTE-UHFFFAOYSA-N -2 3 366.399 0.965 20 0 FCADHL Cn1cc(C[C@H]2CCC[C@H]2[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cn1 ZINC001600949568 1286578545 /nfs/dbraw/zinc/57/85/45/1286578545.db2.gz UQWKNDNWRQPJCC-ZYHUDNBSSA-N -2 3 353.404 0.531 20 0 FCADHL CO[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609314166 1289085372 /nfs/dbraw/zinc/08/53/72/1289085372.db2.gz DECILFWYRGADPY-NEPJUHHUSA-N -2 3 365.415 0.877 20 0 FCADHL CO[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609314166 1289085377 /nfs/dbraw/zinc/08/53/77/1289085377.db2.gz DECILFWYRGADPY-NEPJUHHUSA-N -2 3 365.415 0.877 20 0 FCADHL Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001600996850 1286593173 /nfs/dbraw/zinc/59/31/73/1286593173.db2.gz 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O=C([O-])c1ncsc1S(=O)(=O)[N-]CC(=O)OCc1ccccc1 ZINC001601327506 1286729587 /nfs/dbraw/zinc/72/95/87/1286729587.db2.gz OEFFEELDZQGIDO-UHFFFAOYSA-N -2 3 356.381 0.863 20 0 FCADHL O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001601441063 1286749084 /nfs/dbraw/zinc/74/90/84/1286749084.db2.gz QACZFUVQHCZBEB-NSHDSACASA-N -2 3 354.322 0.730 20 0 FCADHL O=C([O-])Cc1csc(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001602151875 1286949159 /nfs/dbraw/zinc/94/91/59/1286949159.db2.gz HTHSNMUJETZCQB-MRVPVSSYSA-N -2 3 364.387 0.666 20 0 FCADHL O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001602175081 1286956482 /nfs/dbraw/zinc/95/64/82/1286956482.db2.gz KWVPWKXLOJTQSE-XCBNKYQSSA-N -2 3 357.779 0.662 20 0 FCADHL O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001602175081 1286956494 /nfs/dbraw/zinc/95/64/94/1286956494.db2.gz KWVPWKXLOJTQSE-XCBNKYQSSA-N -2 3 357.779 0.662 20 0 FCADHL 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1289225542 /nfs/dbraw/zinc/22/55/42/1289225542.db2.gz IYAANTWAYWGQJH-UHFFFAOYSA-N -2 3 374.338 0.109 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)c1cccc2c1OCO2 ZINC001609560333 1289225547 /nfs/dbraw/zinc/22/55/47/1289225547.db2.gz IYAANTWAYWGQJH-UHFFFAOYSA-N -2 3 374.338 0.109 20 0 FCADHL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609572108 1289234226 /nfs/dbraw/zinc/23/42/26/1289234226.db2.gz ZHAJZEXZCAWTHM-GFCCVEGCSA-N -2 3 372.385 0.196 20 0 FCADHL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609572108 1289234236 /nfs/dbraw/zinc/23/42/36/1289234236.db2.gz ZHAJZEXZCAWTHM-GFCCVEGCSA-N -2 3 372.385 0.196 20 0 FCADHL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001609571652 1289234355 /nfs/dbraw/zinc/23/43/55/1289234355.db2.gz PPDIMZFIMLKWER-LBPRGKRZSA-N -2 3 369.378 0.775 20 0 FCADHL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001609571652 1289234362 /nfs/dbraw/zinc/23/43/62/1289234362.db2.gz PPDIMZFIMLKWER-LBPRGKRZSA-N -2 3 369.378 0.775 20 0 FCADHL O=C1NCc2cccc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)c21 ZINC001609589730 1289246941 /nfs/dbraw/zinc/24/69/41/1289246941.db2.gz FLRRBTGZOHFJJQ-UHFFFAOYSA-N -2 3 357.355 0.306 20 0 FCADHL O=C1NCc2cccc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)c21 ZINC001609589730 1289246947 /nfs/dbraw/zinc/24/69/47/1289246947.db2.gz FLRRBTGZOHFJJQ-UHFFFAOYSA-N -2 3 357.355 0.306 20 0 FCADHL O=S(=O)([N-]c1cnc2c(c1)COCC2)c1cncc(-c2nnn[n-]2)c1 ZINC001609596591 1289253697 /nfs/dbraw/zinc/25/36/97/1289253697.db2.gz WDJIVWKTJXBHGX-UHFFFAOYSA-N -2 3 359.371 0.530 20 0 FCADHL O=S(=O)([N-]c1cnc2c(c1)COCC2)c1cncc(-c2nn[n-]n2)c1 ZINC001609596591 1289253699 /nfs/dbraw/zinc/25/36/99/1289253699.db2.gz WDJIVWKTJXBHGX-UHFFFAOYSA-N -2 3 359.371 0.530 20 0 FCADHL O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2o1 ZINC001609604279 1289259907 /nfs/dbraw/zinc/25/99/07/1289259907.db2.gz FLCNIVCNIZUAAX-UHFFFAOYSA-N -2 3 359.327 0.909 20 0 FCADHL O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2o1 ZINC001609604279 1289259911 /nfs/dbraw/zinc/25/99/11/1289259911.db2.gz FLCNIVCNIZUAAX-UHFFFAOYSA-N -2 3 359.327 0.909 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001609678886 1289278496 /nfs/dbraw/zinc/27/84/96/1289278496.db2.gz MZYNRISKLTUINQ-UHFFFAOYSA-N -2 3 353.341 0.451 20 0 FCADHL CC1(C(=O)[O-])CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC001609812278 1289301775 /nfs/dbraw/zinc/30/17/75/1289301775.db2.gz SKNAVKUTGMWUDX-UHFFFAOYSA-N -2 3 352.821 0.613 20 0 FCADHL CCOC(=O)C1CCC([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC001610014561 1289345624 /nfs/dbraw/zinc/34/56/24/1289345624.db2.gz RTALFXRURRHNAD-UHFFFAOYSA-N -2 3 359.404 0.817 20 0 FCADHL CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001610093884 1289368628 /nfs/dbraw/zinc/36/86/28/1289368628.db2.gz RSCXXHROZFGEQF-RKDXNWHRSA-N -2 3 361.445 0.767 20 0 FCADHL CN(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001610102641 1289374139 /nfs/dbraw/zinc/37/41/39/1289374139.db2.gz CPDGKIYILRRSNQ-UHFFFAOYSA-N -2 3 352.416 0.873 20 0 FCADHL COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC001610249444 1289437866 /nfs/dbraw/zinc/43/78/66/1289437866.db2.gz DCJJRUQGGSXZFP-BYPYZUCNSA-N -3 3 372.149 0.118 20 0 FCADHL COC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC001610246455 1289436438 /nfs/dbraw/zinc/43/64/38/1289436438.db2.gz NHWBWSUAWARYNP-CYBMUJFWSA-N -2 3 360.370 0.289 20 0 FCADHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC ZINC001610253542 1289438688 /nfs/dbraw/zinc/43/86/88/1289438688.db2.gz DRFBNXYYFPSXJX-MRVPVSSYSA-N -2 3 367.326 0.519 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)C(=O)Nc2ccccc2)c1C(=O)[O-] ZINC001610549713 1289506820 /nfs/dbraw/zinc/50/68/20/1289506820.db2.gz JAUFVSUPQUNYCR-VIFPVBQESA-N -2 3 352.372 0.722 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001610549832 1289506952 /nfs/dbraw/zinc/50/69/52/1289506952.db2.gz KRYKTCFLANBWLT-UFBFGSQYSA-N -2 3 357.363 0.956 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1 ZINC001610871233 1289613489 /nfs/dbraw/zinc/61/34/89/1289613489.db2.gz FFOPYSLWLAZCFO-LURJTMIESA-N -2 3 359.351 0.756 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610871635 1289614079 /nfs/dbraw/zinc/61/40/79/1289614079.db2.gz QTMPICYELSKZRL-SECBINFHSA-N -3 3 374.371 0.955 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CS(=O)(=O)c2ccccc21 ZINC001610871593 1289614784 /nfs/dbraw/zinc/61/47/84/1289614784.db2.gz PRWBZGVMNHRBCR-MRVPVSSYSA-N -2 3 374.421 0.648 20 0 FCADHL Cc1c(Cl)c(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)nn1C ZINC001625397531 1290339211 /nfs/dbraw/zinc/33/92/11/1290339211.db2.gz DUPRYZLVSRVICW-UHFFFAOYSA-N -2 3 350.813 0.857 20 0 FCADHL Cc1cc(C)nc(-n2[n-]c(C(=O)NCc3nc(C)cc(=O)[n-]3)cc2=O)n1 ZINC001628268457 1290522416 /nfs/dbraw/zinc/52/24/16/1290522416.db2.gz OCMRMTFUMCPXCB-UHFFFAOYSA-N -2 3 355.358 0.306 20 0 FCADHL CCOC(=O)c1nc(C2CCN(S(=O)(=O)c3ncc[n-]3)CC2)n[n-]1 ZINC001663100892 1291745664 /nfs/dbraw/zinc/74/56/64/1291745664.db2.gz RVFORVVAKSDUPA-UHFFFAOYSA-N -2 3 354.392 0.273 20 0 FCADHL COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC000751215084 836472157 /nfs/dbraw/zinc/47/21/57/836472157.db2.gz HWMAHRAWHZMCGM-UHFFFAOYSA-N -3 3 354.344 0.503 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]OCCCC(F)(F)F ZINC001161747210 850280226 /nfs/dbraw/zinc/28/02/26/850280226.db2.gz DIDJPLLUFPCAJK-UHFFFAOYSA-N -2 3 359.326 0.960 20 0 FCADHL Cc1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cc1C(=O)[O-] ZINC001184717479 851319487 /nfs/dbraw/zinc/31/94/87/851319487.db2.gz MKMFZXJJABGHIX-UHFFFAOYSA-N -3 3 351.317 0.929 20 0 FCADHL CCOC(=O)c1cnoc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185567027 851363707 /nfs/dbraw/zinc/36/37/07/851363707.db2.gz ZUTMEPAAUIPOOK-UHFFFAOYSA-N -2 3 364.343 0.832 20 0 FCADHL CCOC(=O)c1cnoc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567027 851363716 /nfs/dbraw/zinc/36/37/16/851363716.db2.gz ZUTMEPAAUIPOOK-UHFFFAOYSA-N -2 3 364.343 0.832 20 0 FCADHL CCOC(=O)[C@H](CCSC)NC(=O)NCCCCP(=O)([O-])[O-] ZINC001193265108 852400597 /nfs/dbraw/zinc/40/05/97/852400597.db2.gz KABOIQZOOYCUKF-JTQLQIEISA-N -2 3 356.381 0.928 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CN(c3ccncn3)C2)c(F)cc1F ZINC001195263743 852734854 /nfs/dbraw/zinc/73/48/54/852734854.db2.gz GDQVEQKUYMYSJJ-UHFFFAOYSA-N -2 3 370.337 0.620 20 0 FCADHL CCOC(=O)c1ccncc1S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001195662795 852808717 /nfs/dbraw/zinc/80/87/17/852808717.db2.gz CQEYPNXRBDVSGF-UHFFFAOYSA-N -2 3 366.332 0.495 20 0 FCADHL COC(=O)C([N-]S(=O)(=O)c1c(F)cccc1Br)=C(C)[O-] ZINC001201046460 853515576 /nfs/dbraw/zinc/51/55/76/853515576.db2.gz MUGHXUGGZLESCP-VIFPVBQESA-N -2 3 368.180 0.997 20 0 FCADHL [S-]c1[n-]c(OC[C@@H]2COCCOCCOCCO2)nc2ncnc1-2 ZINC001226787175 857125516 /nfs/dbraw/zinc/12/55/16/857125516.db2.gz VIKDZWSEPDISIK-JTQLQIEISA-N -2 3 356.404 0.469 20 0 FCADHL COC(=O)[C@@H]1C[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)CN1C(=O)OC(C)(C)C ZINC001227569151 857165935 /nfs/dbraw/zinc/16/59/35/857165935.db2.gz UCVVNSXZOSYZEA-SFYZADRCSA-N -2 3 356.335 0.213 20 0 FCADHL Cc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])[n-]c(=O)nc12 ZINC001229407843 857268551 /nfs/dbraw/zinc/26/85/51/857268551.db2.gz QGOHOEYYGXJOJJ-GZMMTYOYSA-N -3 3 350.283 0.086 20 0 FCADHL CN1CCC(Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])CC1 ZINC001230145661 857307717 /nfs/dbraw/zinc/30/77/17/857307717.db2.gz BLHDTJREPJOZRE-UHFFFAOYSA-N -2 3 367.401 0.359 20 0 FCADHL O=C(Oc1cc([O-])cc(Br)c1)[C@H](O)COP(=O)([O-])[O-] ZINC001231015790 857353715 /nfs/dbraw/zinc/35/37/15/857353715.db2.gz RWOZELIDLCRHKS-MRVPVSSYSA-N -3 3 357.049 0.530 20 0 FCADHL CC(C)(C)OC(=O)[C@H](O)CNC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001253701526 857905705 /nfs/dbraw/zinc/90/57/05/857905705.db2.gz PCDWRZPTAOJAKM-CYBMUJFWSA-N -2 3 357.343 0.951 20 0 FCADHL CS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212627 858248427 /nfs/dbraw/zinc/24/84/27/858248427.db2.gz KYUACTPPYVWQIV-UHFFFAOYSA-N -2 3 359.784 0.500 20 0 FCADHL CN1CCO[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001259221537 858249664 /nfs/dbraw/zinc/24/96/64/858249664.db2.gz LHICWHIPPRZYDF-MRVPVSSYSA-N -2 3 366.798 0.786 20 0 FCADHL NC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260399722 858368950 /nfs/dbraw/zinc/36/89/50/858368950.db2.gz AWKLUXWYPZNHDT-UHFFFAOYSA-N -2 3 350.352 0.919 20 0 FCADHL COc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc1Br ZINC001261041806 858440025 /nfs/dbraw/zinc/44/00/25/858440025.db2.gz PIPQQFRWVJOFBR-UHFFFAOYSA-N -2 3 374.149 0.914 20 0 FCADHL Cc1ncsc1CCS(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001321862535 868642784 /nfs/dbraw/zinc/64/27/84/868642784.db2.gz XYXCQJSLCZSMEE-UHFFFAOYSA-N -2 3 370.456 0.795 20 0 FCADHL Cn1cc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c(C(F)(F)F)n1 ZINC001324072189 869467127 /nfs/dbraw/zinc/46/71/27/869467127.db2.gz IQCWXVBUEBTIPB-UHFFFAOYSA-N -2 3 370.338 0.914 20 0 FCADHL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001329603394 872129721 /nfs/dbraw/zinc/12/97/21/872129721.db2.gz HFMBFNLWCKHARW-MHTLYPKNSA-N -2 3 362.713 0.866 20 0 FCADHL C[C@@H](C(=O)N(C)CC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC001573594378 947391835 /nfs/dbraw/zinc/39/18/35/947391835.db2.gz YLMVTLFRBAURDA-NSHDSACASA-N -2 3 370.373 0.193 20 0 FCADHL C[C@@H](C(=O)N(C)CC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC001573594378 947391847 /nfs/dbraw/zinc/39/18/47/947391847.db2.gz YLMVTLFRBAURDA-NSHDSACASA-N -2 3 370.373 0.193 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cc(=O)[nH]1 ZINC000826260530 947752579 /nfs/dbraw/zinc/75/25/79/947752579.db2.gz SJLUWFVSISFZTE-UHFFFAOYSA-N -2 3 374.382 0.536 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cc(=O)[nH]1 ZINC000826260530 947752585 /nfs/dbraw/zinc/75/25/85/947752585.db2.gz SJLUWFVSISFZTE-UHFFFAOYSA-N -2 3 374.382 0.536 20 0 FCADHL C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1[O-] ZINC001574683061 948836527 /nfs/dbraw/zinc/83/65/27/948836527.db2.gz SVYWAVRNDZVUKF-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574683061 948836549 /nfs/dbraw/zinc/83/65/49/948836549.db2.gz SVYWAVRNDZVUKF-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncccc1[O-] ZINC001574754576 950579669 /nfs/dbraw/zinc/57/96/69/950579669.db2.gz MXDUQXNGDHSFNY-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL C[C@@H]1[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccccc1[O-] ZINC001575918475 950597053 /nfs/dbraw/zinc/59/70/53/950597053.db2.gz CHGTYLAGUKCREN-PWSUYJOCSA-N -2 3 366.385 0.499 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575067105 951601638 /nfs/dbraw/zinc/60/16/38/951601638.db2.gz IFHXJLNPDZOJDY-MRVPVSSYSA-N -2 3 358.337 0.732 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575067105 951601650 /nfs/dbraw/zinc/60/16/50/951601650.db2.gz IFHXJLNPDZOJDY-MRVPVSSYSA-N -2 3 358.337 0.732 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575067471 951614170 /nfs/dbraw/zinc/61/41/70/951614170.db2.gz MJPGRTPVYFLKFY-SECBINFHSA-N -2 3 355.362 0.235 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575067471 951614176 /nfs/dbraw/zinc/61/41/76/951614176.db2.gz MJPGRTPVYFLKFY-SECBINFHSA-N -2 3 355.362 0.235 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575068301 951633606 /nfs/dbraw/zinc/63/36/06/951633606.db2.gz ZRGISXDQRJRIKE-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575068301 951633612 /nfs/dbraw/zinc/63/36/12/951633612.db2.gz ZRGISXDQRJRIKE-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccccc1[O-] ZINC001575145403 952183485 /nfs/dbraw/zinc/18/34/85/952183485.db2.gz XDHUELOVZFBFGV-JTQLQIEISA-N -2 3 354.374 0.357 20 0 FCADHL O=C([O-])[C@]1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCO1 ZINC001594750792 953427730 /nfs/dbraw/zinc/42/77/30/953427730.db2.gz IDCBAWYJQQVHTI-CYBMUJFWSA-N -2 3 352.309 0.537 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])c(Br)n1 ZINC001594549750 955715681 /nfs/dbraw/zinc/71/56/81/955715681.db2.gz SNWSJCUBLAYMKZ-RQJHMYQMSA-N -2 3 352.210 0.714 20 0 FCADHL C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001589115549 956093685 /nfs/dbraw/zinc/09/36/85/956093685.db2.gz WKWLSZKVNOUOQO-RKDXNWHRSA-N -2 3 361.358 0.612 20 0 FCADHL Cc1nccn1CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594475613 959593165 /nfs/dbraw/zinc/59/31/65/959593165.db2.gz PRUPXYGBPPGRFL-GXSJLCMTSA-N -2 3 362.308 0.314 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)C3(C(=O)[O-])CCOCC3)CC2)n1 ZINC001594268863 959778508 /nfs/dbraw/zinc/77/85/08/959778508.db2.gz CGAYOPGFAFWMGC-UHFFFAOYSA-N -2 3 364.402 0.457 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3ccc(C(=O)[O-])nc3)C2)n1 ZINC001594269288 959781922 /nfs/dbraw/zinc/78/19/22/959781922.db2.gz KCGZBPMIBMTGLE-LBPRGKRZSA-N -2 3 357.370 0.983 20 0 FCADHL Cc1nc(C)c(CC(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c(=O)[n-]1 ZINC001605400677 973385854 /nfs/dbraw/zinc/38/58/54/973385854.db2.gz DYERGXRNEINKIP-STQMWFEESA-N -2 3 373.413 0.792 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1F ZINC000403158064 973664483 /nfs/dbraw/zinc/66/44/83/973664483.db2.gz JUANSTXSQVLUDA-ZDUSSCGKSA-N -2 3 367.782 0.997 20 0 FCADHL C[C@H](/C=C/C(=O)[O-])NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001592212651 977269502 /nfs/dbraw/zinc/26/95/02/977269502.db2.gz TVYVFDDEICFLQD-GWSCVKMXSA-N -2 3 366.392 0.505 20 0 FCADHL C[C@H](CC(=O)N[C@H](CF)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001592243623 977468551 /nfs/dbraw/zinc/46/85/51/977468551.db2.gz YJLHKXCDEXAVAV-HTQZYQBOSA-N -2 3 367.786 0.331 20 0 FCADHL CC[C@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)[O-] ZINC001595316091 980481135 /nfs/dbraw/zinc/48/11/35/980481135.db2.gz DDHXBEJSCIMPHC-ZETCQYMHSA-N -2 3 363.193 0.633 20 0 FCADHL CC[C@H](C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001594756292 981673370 /nfs/dbraw/zinc/67/33/70/981673370.db2.gz IVBNQAGHQXVXNM-VIFPVBQESA-N -2 3 366.798 0.984 20 0 FCADHL CCN(CC)C(=O)C1([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCCCC1 ZINC001596241306 983639988 /nfs/dbraw/zinc/63/99/88/983639988.db2.gz HZKNJOWZCWGCSP-UHFFFAOYSA-N -2 3 372.447 0.958 20 0 FCADHL CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc2)CC1 ZINC001596438610 984128585 /nfs/dbraw/zinc/12/85/85/984128585.db2.gz NUFZSKWWMWESJI-GFCCVEGCSA-N -2 3 369.443 0.361 20 0 FCADHL CCOC(=O)[C@]1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CCCOC1 ZINC001596555719 984427883 /nfs/dbraw/zinc/42/78/83/984427883.db2.gz RNFXATHYLOVUPB-AWEZNQCLSA-N -2 3 361.372 0.616 20 0 FCADHL CCOC(=O)N1CCC([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC001596646800 984662312 /nfs/dbraw/zinc/66/23/12/984662312.db2.gz RISOFCWUGPAPKE-UHFFFAOYSA-N -2 3 360.392 0.316 20 0 FCADHL CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001596688241 984790680 /nfs/dbraw/zinc/79/06/80/984790680.db2.gz PNRKMYCKMTUPEO-QMMMGPOBSA-N -2 3 367.326 0.519 20 0 FCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@](C)(COC)C(=O)[O-])c(F)c1 ZINC001596726480 984983894 /nfs/dbraw/zinc/98/38/94/984983894.db2.gz QUBZWFKODNEKBB-AWEZNQCLSA-N -2 3 363.363 0.770 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cn2)s1 ZINC001589225373 985754579 /nfs/dbraw/zinc/75/45/79/985754579.db2.gz UKMWQBNOLCAHFC-UHFFFAOYSA-N -2 3 356.385 0.673 20 0 FCADHL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001594648435 986853296 /nfs/dbraw/zinc/85/32/96/986853296.db2.gz JDBUWQMPVIQXDD-GDPRMGEGSA-N -2 3 374.440 0.648 20 0 FCADHL CCc1ccc([C@@H](O)C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC001597514372 988119510 /nfs/dbraw/zinc/11/95/10/988119510.db2.gz MDFPHYJJJMNJSG-LBPRGKRZSA-N -2 3 353.400 0.991 20 0 FCADHL C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001599837215 988762149 /nfs/dbraw/zinc/76/21/49/988762149.db2.gz CZSOJOQFJIAEAS-YFKPBYRVSA-N -2 3 356.169 0.946 20 0 FCADHL C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001599860160 989154474 /nfs/dbraw/zinc/15/44/74/989154474.db2.gz AVDVEYKHOQCLRE-PSASIEDQSA-N -2 3 374.419 0.642 20 0 FCADHL C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)O[C@H]1C(=O)[O-] ZINC001599874366 989399173 /nfs/dbraw/zinc/39/91/73/989399173.db2.gz GBFCLPGREAWOOZ-KCPJHIHWSA-N -2 3 362.382 0.555 20 0 FCADHL CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)C2(C(=O)[O-])CC2)n1 ZINC001590216498 989589663 /nfs/dbraw/zinc/58/96/63/989589663.db2.gz VMNUVSSULPYUOR-UHFFFAOYSA-N -2 3 366.374 0.688 20 0 FCADHL CN(C(=O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCCCC1 ZINC001598024735 990232186 /nfs/dbraw/zinc/23/21/86/990232186.db2.gz GOBCADZMCQCWGJ-UHFFFAOYSA-N -2 3 361.445 0.911 20 0 FCADHL CS(=O)(=O)Cc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001599753190 992017704 /nfs/dbraw/zinc/01/77/04/992017704.db2.gz DIRVXSHILPUEQT-UHFFFAOYSA-N -2 3 374.396 0.396 20 0 FCADHL CN(CC[N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001598493822 992336418 /nfs/dbraw/zinc/33/64/18/992336418.db2.gz CBXUAKOXZOWQNM-UHFFFAOYSA-N -2 3 365.433 0.987 20 0 FCADHL CS(C)(=O)=NCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001599781709 992372855 /nfs/dbraw/zinc/37/28/55/992372855.db2.gz SDVJDPMQVSYXLH-UHFFFAOYSA-N -2 3 356.372 0.669 20 0 FCADHL COc1ccc(S(=O)(=O)NCc2ncccc2[O-])c(OC)c1C(=O)[O-] ZINC001599616765 994025887 /nfs/dbraw/zinc/02/58/87/994025887.db2.gz ABLYQWUXMBDXPX-UHFFFAOYSA-N -2 3 368.367 0.981 20 0 FCADHL CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001598635431 994240552 /nfs/dbraw/zinc/24/05/52/994240552.db2.gz KHKGPBUHQDWNDB-IONNQARKSA-N -2 3 362.354 0.856 20 0 FCADHL COc1cccc([C@H](O)C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC001599659599 994634999 /nfs/dbraw/zinc/63/49/99/994634999.db2.gz LHEQYFJOUKOGFU-LLVKDONJSA-N -2 3 355.372 0.437 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)ccc1F ZINC001598673038 994790947 /nfs/dbraw/zinc/79/09/47/994790947.db2.gz DOFZPBPXOPUPCD-AWEZNQCLSA-N -2 3 360.363 0.050 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])c(C)o1 ZINC001598673607 994803182 /nfs/dbraw/zinc/80/31/82/994803182.db2.gz WBTNTVFDYQAFLZ-GXSJLCMTSA-N -2 3 360.388 0.248 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])ccc1F ZINC001598673743 994803978 /nfs/dbraw/zinc/80/39/78/994803978.db2.gz YSYFBASOFZUZGX-CYBMUJFWSA-N -2 3 350.343 0.667 20 0 FCADHL COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598705576 995281860 /nfs/dbraw/zinc/28/18/60/995281860.db2.gz VTPBTGPTVNCIBL-LLVKDONJSA-N -2 3 368.367 0.744 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC001598710969 995348296 /nfs/dbraw/zinc/34/82/96/995348296.db2.gz WLFQEUCOVYMGAA-WHOHXGKFSA-N -2 3 351.421 0.373 20 0 FCADHL COC(=O)[C@@]1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCSC1 ZINC001598725077 995511376 /nfs/dbraw/zinc/51/13/76/995511376.db2.gz UIIDSYOADWWBDK-SNVBAGLBSA-N -2 3 352.415 0.168 20 0 FCADHL COC(=O)C1CCC([N-]S(=O)(=O)c2c(C)noc2C)(C(=O)[O-])CC1 ZINC001598788283 996048995 /nfs/dbraw/zinc/04/89/95/996048995.db2.gz YXZOKCSQPMRAGQ-UHFFFAOYSA-N -2 3 360.388 0.756 20 0 FCADHL COC(=O)COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001598865813 996705744 /nfs/dbraw/zinc/70/57/44/996705744.db2.gz LFRNKSWCLBUCRM-UHFFFAOYSA-N -2 3 369.754 0.645 20 0 FCADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1CCN(C)C ZINC001599383937 996910618 /nfs/dbraw/zinc/91/06/18/996910618.db2.gz NKTMCNRNPKLKPL-UHFFFAOYSA-N -2 3 368.415 0.952 20 0 FCADHL COC(=O)[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)CCc1c(F)cccc1F ZINC001598894085 997046989 /nfs/dbraw/zinc/04/69/89/997046989.db2.gz WHLOKQQZVNFCNV-GFCCVEGCSA-N -2 3 365.354 0.833 20 0 FCADHL COc1cc(CC[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])ccc1O ZINC001599404632 997274892 /nfs/dbraw/zinc/27/48/92/997274892.db2.gz VJQBTZGPKZVPQO-UHFFFAOYSA-N -2 3 355.372 0.652 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1 ZINC001598912455 997394541 /nfs/dbraw/zinc/39/45/41/997394541.db2.gz WRBIOTZFGZCUQB-UHFFFAOYSA-N -2 3 359.404 0.961 20 0 FCADHL COCCN1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001599243401 998091157 /nfs/dbraw/zinc/09/11/57/998091157.db2.gz IPXQGQOIELCNDP-VIFPVBQESA-N -2 3 364.370 0.662 20 0 FCADHL COc1cc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)cc(OC)c1[O-] ZINC001599354039 998148029 /nfs/dbraw/zinc/14/80/29/998148029.db2.gz WYBJZLMCICVSBK-XHDPSFHLSA-N -2 3 373.383 0.027 20 0 FCADHL COc1cc(S(=O)(=O)[N-]c2ccnn2CCN(C)C)ccc1C(=O)[O-] ZINC001599459314 998243545 /nfs/dbraw/zinc/24/35/45/998243545.db2.gz JQQPNTWTURYUOX-UHFFFAOYSA-N -2 3 368.415 0.952 20 0 FCADHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)CN ZINC001598970416 998504021 /nfs/dbraw/zinc/50/40/21/998504021.db2.gz MCMAQHOGNBLBBY-UHFFFAOYSA-N -2 3 352.315 0.044 20 0 FCADHL C[C@@H]1C[C@H](C)CN(C(=O)CN2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)C1 ZINC001594221612 998853120 /nfs/dbraw/zinc/85/31/20/998853120.db2.gz QYPKISSWAWOYCF-ZPBACHKLSA-N -2 3 352.431 0.988 20 0 FCADHL COC(=O)c1cnc(C[N-]S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC001599006953 998862855 /nfs/dbraw/zinc/86/28/55/998862855.db2.gz BUFLKTFDWWNEPR-WPRPVWTQSA-N -2 3 362.429 0.993 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-] ZINC001599015537 998934718 /nfs/dbraw/zinc/93/47/18/998934718.db2.gz JJABJGJPMJQCCC-SECBINFHSA-N -2 3 366.779 0.024 20 0 FCADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CC(=O)[O-] ZINC001599055846 999229067 /nfs/dbraw/zinc/22/90/67/999229067.db2.gz RTCAKPUFEGPURS-ZCFIWIBFSA-N -3 3 353.299 0.431 20 0 FCADHL COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)OC ZINC000291993962 214070093 /nfs/dbraw/zinc/07/00/93/214070093.db2.gz WQJCVEAVLTZLHT-VIFPVBQESA-N -2 3 369.754 0.644 20 0 FCADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000297344847 214393330 /nfs/dbraw/zinc/39/33/30/214393330.db2.gz YTCWOTMPLYOWRL-SSDOTTSWSA-N 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598719298 /nfs/dbraw/zinc/71/92/98/598719298.db2.gz WCQMKFZSOJBGPW-UHFFFAOYSA-N -2 3 368.382 0.728 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736624664 598740047 /nfs/dbraw/zinc/74/00/47/598740047.db2.gz CJZXSCYAIWYBAM-FPLPWBNLSA-N -2 3 351.388 0.362 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736624664 598740048 /nfs/dbraw/zinc/74/00/48/598740048.db2.gz CJZXSCYAIWYBAM-FPLPWBNLSA-N -2 3 351.388 0.362 20 0 FCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cn1 ZINC000736932097 598789297 /nfs/dbraw/zinc/78/92/97/598789297.db2.gz FOVNTQQASWQCAI-UHFFFAOYSA-N -2 3 363.359 0.037 20 0 FCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC000736932097 598789298 /nfs/dbraw/zinc/78/92/98/598789298.db2.gz FOVNTQQASWQCAI-UHFFFAOYSA-N -2 3 363.359 0.037 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000820542890 599692121 /nfs/dbraw/zinc/69/21/21/599692121.db2.gz RXZXUYFVEWYYQX-SECBINFHSA-N -2 3 358.362 0.207 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000820542890 599692122 /nfs/dbraw/zinc/69/21/22/599692122.db2.gz RXZXUYFVEWYYQX-SECBINFHSA-N -2 3 358.362 0.207 20 0 FCADHL O=C([O-])CSCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000739859527 599904351 /nfs/dbraw/zinc/90/43/51/599904351.db2.gz OAFHQVFRYRQGML-GFCCVEGCSA-N -2 3 352.412 0.931 20 0 FCADHL O=C([O-])[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000262171413 600070725 /nfs/dbraw/zinc/07/07/25/600070725.db2.gz VDMDYUBHKXHXDB-SSDOTTSWSA-N -2 3 352.821 0.755 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCO1 ZINC000822222543 607445408 /nfs/dbraw/zinc/44/54/08/607445408.db2.gz LESFZDFBKDXJTB-NSHDSACASA-N -2 3 351.388 0.549 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCO1 ZINC000822222543 607445410 /nfs/dbraw/zinc/44/54/10/607445410.db2.gz LESFZDFBKDXJTB-NSHDSACASA-N -2 3 351.388 0.549 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCCCO1 ZINC000823285445 607446015 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3 362.342 0.644 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCN(c3cnn(C)c3)C2)cc1C(=O)[O-] ZINC000833028877 601223768 /nfs/dbraw/zinc/22/37/68/601223768.db2.gz RRCCDNVHYJYDNF-LLVKDONJSA-N -2 3 368.415 0.967 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)c1F ZINC000314145470 601227940 /nfs/dbraw/zinc/22/79/40/601227940.db2.gz UPASXBDLTZANHN-ZCFIWIBFSA-N -2 3 355.340 0.128 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2nnc3n2CCC3)c1F ZINC000833293744 601229450 /nfs/dbraw/zinc/22/94/50/601229450.db2.gz HHIYXPXOVAFAQV-UHFFFAOYSA-N -2 3 358.326 0.679 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]c2nc3nc(C)cc(=O)n3[n-]2)cc1C(=O)[O-] ZINC000832857804 601230531 /nfs/dbraw/zinc/23/05/31/601230531.db2.gz AGYMIMIVFBCLET-UHFFFAOYSA-N -3 3 353.316 0.126 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCNC(=O)c2ccco2)c1F ZINC000833141610 601230626 /nfs/dbraw/zinc/23/06/26/601230626.db2.gz ZMNGQWFRKWEBNG-UHFFFAOYSA-N -2 3 374.321 0.964 20 0 FCADHL C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1=O ZINC000828201302 601239298 /nfs/dbraw/zinc/23/92/98/601239298.db2.gz QWYZZRDINHSLRV-NQMVMOMDSA-N -2 3 374.365 0.951 20 0 FCADHL COC(=O)c1csc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)c1 ZINC000831467015 601270398 /nfs/dbraw/zinc/27/03/98/601270398.db2.gz PVSGHLKKZLDBJX-UHFFFAOYSA-N -2 3 363.413 0.837 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)ccc1F ZINC000831028959 601690892 /nfs/dbraw/zinc/69/08/92/601690892.db2.gz DUBIFCROFSQQFN-CYBMUJFWSA-N -2 3 367.358 0.685 20 0 FCADHL O=C([O-])[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000833110060 601704872 /nfs/dbraw/zinc/70/48/72/601704872.db2.gz KNNICFHNJXIISB-JTQLQIEISA-N -2 3 352.821 0.659 20 0 FCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833037222 601738389 /nfs/dbraw/zinc/73/83/89/601738389.db2.gz WUVFSQGKSZKEQQ-SNVBAGLBSA-N -2 3 360.370 0.867 20 0 FCADHL O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000833215422 601760205 /nfs/dbraw/zinc/76/02/05/601760205.db2.gz JRVMVOKPICXQRG-GXTWGEPZSA-N -2 3 362.382 0.699 20 0 FCADHL COC[C@](C)([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000831631210 601805944 /nfs/dbraw/zinc/80/59/44/601805944.db2.gz BNJULTGRBRSFIO-JTQLQIEISA-N -2 3 353.194 0.612 20 0 FCADHL COCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CC2 ZINC000831831994 601995223 /nfs/dbraw/zinc/99/52/23/601995223.db2.gz UAPZEYFGSKZYBL-QMMMGPOBSA-N -2 3 356.360 0.009 20 0 FCADHL CCOC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329852 602161418 /nfs/dbraw/zinc/16/14/18/602161418.db2.gz LPNOJDGYKKNGPD-UHFFFAOYSA-N -2 3 370.177 0.972 20 0 FCADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cnn([C@H]2CCOC2)c1 ZINC000826492577 607692700 /nfs/dbraw/zinc/69/27/00/607692700.db2.gz SBRXKMPKKGJHGO-JTQLQIEISA-N -2 3 362.375 0.220 20 0 FCADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cnn([C@H]2CCOC2)c1 ZINC000826492577 607692701 /nfs/dbraw/zinc/69/27/01/607692701.db2.gz SBRXKMPKKGJHGO-JTQLQIEISA-N -2 3 362.375 0.220 20 0 FCADHL COC(=O)[C@@]1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCSC1 ZINC000833701511 604702881 /nfs/dbraw/zinc/70/28/81/604702881.db2.gz DABKJHZOTVQMOF-SNVBAGLBSA-N -2 3 352.415 0.168 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1F ZINC000261616928 604810688 /nfs/dbraw/zinc/81/06/88/604810688.db2.gz BGIGEBOEAVGXNB-MRVPVSSYSA-N -2 3 366.392 0.292 20 0 FCADHL C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833620964 605046308 /nfs/dbraw/zinc/04/63/08/605046308.db2.gz YSSUWKDHOANNLK-PSASIEDQSA-N -2 3 373.456 0.767 20 0 FCADHL O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)ccc2[nH]1 ZINC000823665470 606203212 /nfs/dbraw/zinc/20/32/12/606203212.db2.gz LGEFDVMFWFVIBI-UHFFFAOYSA-N -2 3 369.366 0.904 20 0 FCADHL O=C(CC[C@H]1CCOC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822950411 606407945 /nfs/dbraw/zinc/40/79/45/606407945.db2.gz NECRVCPJLQVJNJ-NSHDSACASA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CC[C@H]1CCOC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822950411 606407947 /nfs/dbraw/zinc/40/79/47/606407947.db2.gz NECRVCPJLQVJNJ-NSHDSACASA-N -2 3 365.415 0.629 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cs1 ZINC000821668199 606709317 /nfs/dbraw/zinc/70/93/17/606709317.db2.gz UWQYJSDSSBOBJP-UHFFFAOYSA-N -2 3 369.388 0.249 20 0 FCADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822540423 606709521 /nfs/dbraw/zinc/70/95/21/606709521.db2.gz ATINFVFELPOXLX-UHFFFAOYSA-N -3 3 353.320 0.001 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1F ZINC000821845268 606710435 /nfs/dbraw/zinc/71/04/35/606710435.db2.gz DWPPYVAPODIJJG-UHFFFAOYSA-N -2 3 353.339 0.549 20 0 FCADHL COC(=O)c1sccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821672682 606710884 /nfs/dbraw/zinc/71/08/84/606710884.db2.gz UQABZENFEIJCRG-UHFFFAOYSA-N -2 3 369.388 0.249 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)n1 ZINC000822623190 606711341 /nfs/dbraw/zinc/71/13/41/606711341.db2.gz QXBUHQUDDYYONR-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)O1 ZINC000820971315 606839078 /nfs/dbraw/zinc/83/90/78/606839078.db2.gz BDKKPJSGWJDKFX-YPMHNXCESA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)O1 ZINC000820971315 606839080 /nfs/dbraw/zinc/83/90/80/606839080.db2.gz BDKKPJSGWJDKFX-YPMHNXCESA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820971847 606839332 /nfs/dbraw/zinc/83/93/32/606839332.db2.gz HALIJQDXDRQCMS-JQWIXIFHSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971847 606839334 /nfs/dbraw/zinc/83/93/34/606839334.db2.gz HALIJQDXDRQCMS-JQWIXIFHSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)O1 ZINC000820971313 606839352 /nfs/dbraw/zinc/83/93/52/606839352.db2.gz BDKKPJSGWJDKFX-DGCLKSJQSA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)O1 ZINC000820971313 606839354 /nfs/dbraw/zinc/83/93/54/606839354.db2.gz BDKKPJSGWJDKFX-DGCLKSJQSA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820971849 606839374 /nfs/dbraw/zinc/83/93/74/606839374.db2.gz HALIJQDXDRQCMS-ZYHUDNBSSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971849 606839376 /nfs/dbraw/zinc/83/93/76/606839376.db2.gz HALIJQDXDRQCMS-ZYHUDNBSSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC000820973161 606839388 /nfs/dbraw/zinc/83/93/88/606839388.db2.gz UQDGXJQSFYHXGV-CHWSQXEVSA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC000820973161 606839390 /nfs/dbraw/zinc/83/93/90/606839390.db2.gz UQDGXJQSFYHXGV-CHWSQXEVSA-N -2 3 365.415 0.770 20 0 FCADHL C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820308482 606886271 /nfs/dbraw/zinc/88/62/71/606886271.db2.gz VPIQLENLWAMJLR-MRVPVSSYSA-N -2 3 369.357 0.708 20 0 FCADHL Cc1cnn(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822402839 606892099 /nfs/dbraw/zinc/89/20/99/606892099.db2.gz IXMNQEIVDJDLSA-UHFFFAOYSA-N -2 3 369.357 0.628 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC000820674281 606920785 /nfs/dbraw/zinc/92/07/85/606920785.db2.gz CKCWUABMDHXHLW-BXKDBHETSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC000820674281 606920787 /nfs/dbraw/zinc/92/07/87/606920787.db2.gz CKCWUABMDHXHLW-BXKDBHETSA-N -2 3 351.388 0.380 20 0 FCADHL COC(=O)c1nscc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821671065 606980147 /nfs/dbraw/zinc/98/01/47/606980147.db2.gz GJUKEHIBIPMULR-UHFFFAOYSA-N -2 3 367.372 0.306 20 0 FCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000820111619 607025551 /nfs/dbraw/zinc/02/55/51/607025551.db2.gz CDFZKOKJFYXKEJ-UHFFFAOYSA-N -2 3 354.421 0.977 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000821700186 607110484 /nfs/dbraw/zinc/11/04/84/607110484.db2.gz GQSCIIQCCMSMEJ-OAHLLOKOSA-N -2 3 365.321 0.279 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(F)cc1F ZINC000826272542 607779252 /nfs/dbraw/zinc/77/92/52/607779252.db2.gz OWVSKQSSZPXBTI-UHFFFAOYSA-N -2 3 368.325 0.900 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449627 607779886 /nfs/dbraw/zinc/77/98/86/607779886.db2.gz BTPMZZJCCSPHAQ-UHFFFAOYSA-N -2 3 368.325 0.733 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449627 607779887 /nfs/dbraw/zinc/77/98/87/607779887.db2.gz BTPMZZJCCSPHAQ-UHFFFAOYSA-N -2 3 368.325 0.733 20 0 FCADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826408985 607985748 /nfs/dbraw/zinc/98/57/48/607985748.db2.gz DACIETVHDVBECS-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826408985 607985749 /nfs/dbraw/zinc/98/57/49/607985749.db2.gz DACIETVHDVBECS-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826402853 607987966 /nfs/dbraw/zinc/98/79/66/607987966.db2.gz DMAHDXWKCSIHGP-VOTSOKGWSA-N -2 3 370.394 0.921 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826402853 607987967 /nfs/dbraw/zinc/98/79/67/607987967.db2.gz DMAHDXWKCSIHGP-VOTSOKGWSA-N -2 3 370.394 0.921 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])c1-c1nnn[n-]1 ZINC000826302592 608011829 /nfs/dbraw/zinc/01/18/29/608011829.db2.gz NMNTYSVDDZIXHV-JTQLQIEISA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])c1-c1nn[n-]n1 ZINC000826302592 608011830 /nfs/dbraw/zinc/01/18/30/608011830.db2.gz NMNTYSVDDZIXHV-JTQLQIEISA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826249568 608076531 /nfs/dbraw/zinc/07/65/31/608076531.db2.gz JJYACTDCIZLXOP-JTQLQIEISA-N -2 3 351.388 0.271 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826249568 608076532 /nfs/dbraw/zinc/07/65/32/608076532.db2.gz JJYACTDCIZLXOP-JTQLQIEISA-N -2 3 351.388 0.271 20 0 FCADHL O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493098 608101571 /nfs/dbraw/zinc/10/15/71/608101571.db2.gz TXRIQDWAXQIDQC-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826493098 608101572 /nfs/dbraw/zinc/10/15/72/608101572.db2.gz TXRIQDWAXQIDQC-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825486071 608102016 /nfs/dbraw/zinc/10/20/16/608102016.db2.gz MVTLMHAGXIKDGG-UHFFFAOYSA-N -2 3 367.387 0.261 20 0 FCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825486071 608102017 /nfs/dbraw/zinc/10/20/17/608102017.db2.gz MVTLMHAGXIKDGG-UHFFFAOYSA-N -2 3 367.387 0.261 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1CSc1n[n-]c2nc(=O)c(C)nn21 ZINC000826173893 608264434 /nfs/dbraw/zinc/26/44/34/608264434.db2.gz ZSHZSNOBZOVSSA-UHFFFAOYSA-N -2 3 371.386 0.602 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1CSc1n[n-]c2nc(=O)c(C)nn21 ZINC000826173893 608264435 /nfs/dbraw/zinc/26/44/35/608264435.db2.gz ZSHZSNOBZOVSSA-UHFFFAOYSA-N -2 3 371.386 0.602 20 0 FCADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000824206449 608444287 /nfs/dbraw/zinc/44/42/87/608444287.db2.gz DSXAYFWANVFDMY-GFCCVEGCSA-N -2 3 359.346 0.837 20 0 FCADHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000824206449 608444289 /nfs/dbraw/zinc/44/42/89/608444289.db2.gz DSXAYFWANVFDMY-GFCCVEGCSA-N -2 3 359.346 0.837 20 0 FCADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824894357 608759313 /nfs/dbraw/zinc/75/93/13/608759313.db2.gz YSHNJXNPLQAZMP-CBAPKCEASA-N -2 3 359.358 0.991 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825663274 609147868 /nfs/dbraw/zinc/14/78/68/609147868.db2.gz LAQXQSABDOQCTG-UHFFFAOYSA-N -2 3 361.387 0.440 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825663274 609147870 /nfs/dbraw/zinc/14/78/70/609147870.db2.gz LAQXQSABDOQCTG-UHFFFAOYSA-N -2 3 361.387 0.440 20 0 FCADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824463733 609254045 /nfs/dbraw/zinc/25/40/45/609254045.db2.gz CIEQZPQSRSJFGQ-UHFFFAOYSA-N -2 3 350.187 0.865 20 0 FCADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824463733 609254046 /nfs/dbraw/zinc/25/40/46/609254046.db2.gz CIEQZPQSRSJFGQ-UHFFFAOYSA-N -2 3 350.187 0.865 20 0 FCADHL CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824129628 609436477 /nfs/dbraw/zinc/43/64/77/609436477.db2.gz BQOUZOCQNGKBMB-SNVBAGLBSA-N -2 3 361.374 0.830 20 0 FCADHL COc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cccc1C(N)=O ZINC000826167067 609457041 /nfs/dbraw/zinc/45/70/41/609457041.db2.gz NUUIYCGXLPWWJS-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL COc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cccc1C(N)=O ZINC000826167067 609457043 /nfs/dbraw/zinc/45/70/43/609457043.db2.gz NUUIYCGXLPWWJS-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825014491 609611740 /nfs/dbraw/zinc/61/17/40/609611740.db2.gz WGUPGXHAGRSELN-UHLUBPPHSA-N -2 3 359.358 0.991 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccc(Cl)cc2)o1 ZINC000031551836 666121168 /nfs/dbraw/zinc/12/11/68/666121168.db2.gz UUELBPOFAKOUDF-UHFFFAOYSA-N -2 3 357.775 0.916 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)c(=O)[n-]1 ZINC000732612938 666890892 /nfs/dbraw/zinc/89/08/92/666890892.db2.gz TVYATJBDSGIUEP-UHFFFAOYSA-N -2 3 356.791 0.895 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCSCC1 ZINC000738140419 667905159 /nfs/dbraw/zinc/90/51/59/667905159.db2.gz URBQESWKDRBFSQ-UHFFFAOYSA-N -2 3 353.429 0.815 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCSCC1 ZINC000738140419 667905162 /nfs/dbraw/zinc/90/51/62/667905162.db2.gz URBQESWKDRBFSQ-UHFFFAOYSA-N -2 3 353.429 0.815 20 0 FCADHL CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765457852 668007159 /nfs/dbraw/zinc/00/71/59/668007159.db2.gz GXBYCDARJSDMSQ-UHFFFAOYSA-N -2 3 354.388 0.617 20 0 FCADHL COC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788440263 668828729 /nfs/dbraw/zinc/82/87/29/668828729.db2.gz GLXWVKOSNRFPDH-LURJTMIESA-N -2 3 371.820 0.874 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000824744849 669411612 /nfs/dbraw/zinc/41/16/12/669411612.db2.gz HGNIGHKVXVHGDM-VFZGTOFNSA-N -2 3 363.399 0.711 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000824744849 669411618 /nfs/dbraw/zinc/41/16/18/669411618.db2.gz HGNIGHKVXVHGDM-VFZGTOFNSA-N -2 3 363.399 0.711 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450349 669494129 /nfs/dbraw/zinc/49/41/29/669494129.db2.gz ICSYTESDOBQEIV-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450349 669494133 /nfs/dbraw/zinc/49/41/33/669494133.db2.gz ICSYTESDOBQEIV-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@]2(COC)C(=O)[O-])ccc1F ZINC000818313791 670095052 /nfs/dbraw/zinc/09/50/52/670095052.db2.gz XMHGFMVQUUXVCQ-OAHLLOKOSA-N -2 3 374.390 0.440 20 0 FCADHL CCOC(=O)c1c(C)n[n-]c1S(=O)(=O)[N-]c1ccncc1C(C)=O ZINC000840946476 670528130 /nfs/dbraw/zinc/52/81/30/670528130.db2.gz LCQOHUMHYNVDTI-UHFFFAOYSA-N -2 3 352.372 0.715 20 0 FCADHL Cc1ccc(C(=O)NCCC(=O)NCCc2n[n-]c(=S)o2)c([O-])c1 ZINC000841422616 670557054 /nfs/dbraw/zinc/55/70/54/670557054.db2.gz GKTGBGRGRXXPMJ-UHFFFAOYSA-N -2 3 350.400 0.851 20 0 FCADHL COCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C(=O)[O-] ZINC000848675707 671289158 /nfs/dbraw/zinc/28/91/58/671289158.db2.gz HQWBVYFWUKWJSA-JTQLQIEISA-N -2 3 363.363 0.689 20 0 FCADHL O=C([O-])C1CC(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC000874423952 672783151 /nfs/dbraw/zinc/78/31/51/672783151.db2.gz MUXXCKLXLCHJJF-UHFFFAOYSA-N -2 3 351.325 0.950 20 0 FCADHL CS(=O)(=O)[N-]C(=O)CCNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000800550021 675677707 /nfs/dbraw/zinc/67/77/07/675677707.db2.gz QIWJNSOSHZUMFK-UHFFFAOYSA-N -2 3 373.337 0.002 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cnc[n-]c2=O)c1[O-] ZINC000976525427 1185973583 /nfs/dbraw/zinc/97/35/83/1185973583.db2.gz IIWDJLOERBXJRS-GHMZBOCLSA-N -2 3 360.374 0.390 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000981212726 1186352021 /nfs/dbraw/zinc/35/20/21/1186352021.db2.gz KUCSFCQSGSLNAI-NWDGAFQWSA-N -2 3 371.397 0.920 20 0 FCADHL COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000046412924 1196655724 /nfs/dbraw/zinc/65/57/24/1196655724.db2.gz IPMVQSDYCMEAFH-UHFFFAOYSA-N -2 3 373.365 0.438 20 0 FCADHL CN1CCC(NC(=S)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000063144117 1196855707 /nfs/dbraw/zinc/85/57/07/1196855707.db2.gz VJDHXPIIWAXJQR-UHFFFAOYSA-N -2 3 374.470 0.781 20 0 FCADHL O=C(NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cnc[n-]c1=O ZINC001094442875 1206227875 /nfs/dbraw/zinc/22/78/75/1206227875.db2.gz GCQJCKLMJORNQS-BDJLRTHQSA-N -2 3 359.390 0.181 20 0 FCADHL O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC(O)(c2nnn[n-]2)CC1 ZINC000774205463 1206428635 /nfs/dbraw/zinc/42/86/35/1206428635.db2.gz FQYZJRZEXCXFPC-UHFFFAOYSA-N -2 3 355.358 0.215 20 0 FCADHL O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC(O)(c2nn[n-]n2)CC1 ZINC000774205463 1206428637 /nfs/dbraw/zinc/42/86/37/1206428637.db2.gz FQYZJRZEXCXFPC-UHFFFAOYSA-N -2 3 355.358 0.215 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2cn(C)c3ccccc23)c(=O)[n-]1 ZINC000158459693 1211936450 /nfs/dbraw/zinc/93/64/50/1211936450.db2.gz MZMXWZYFEVNSKT-UHFFFAOYSA-N -2 3 374.422 0.926 20 0 FCADHL Cc1cc(=O)oc2cc([O-])c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc12 ZINC001226532571 1225846221 /nfs/dbraw/zinc/84/62/21/1225846221.db2.gz TVWRJOXCZGQUKV-XLKFXECMSA-N -3 3 366.278 0.249 20 0 FCADHL Cn1c(=O)c2ccc(C(=O)N3CCc4c(nc[n-]c4=O)C3)cc2[n-]c1=S ZINC000752783014 1220082603 /nfs/dbraw/zinc/08/26/03/1220082603.db2.gz DZGRLRIYKVNCQR-UHFFFAOYSA-N -2 3 369.406 0.916 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC000996143728 1251201342 /nfs/dbraw/zinc/20/13/42/1251201342.db2.gz XBCGBPHIIZGUCJ-WOPDTQHZSA-N -2 3 369.381 0.767 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cc(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)n1 ZINC001580620899 1278574687 /nfs/dbraw/zinc/57/46/87/1278574687.db2.gz YKRXXZYURCFBAA-UHFFFAOYSA-N -2 3 356.390 0.897 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cc(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)n1 ZINC001580620899 1278574692 /nfs/dbraw/zinc/57/46/92/1278574692.db2.gz YKRXXZYURCFBAA-UHFFFAOYSA-N -2 3 356.390 0.897 20 0 FCADHL CC(C)[C@@H](CNC(=O)c1ncccc1[O-])Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574060270 1271047166 /nfs/dbraw/zinc/04/71/66/1271047166.db2.gz AIGYISNWWQHVDM-SNVBAGLBSA-N -2 3 369.389 0.046 20 0 FCADHL CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574272637 1271147375 /nfs/dbraw/zinc/14/73/75/1271147375.db2.gz JBNGZHNRRACVSA-UHFFFAOYSA-N -2 3 374.409 0.001 20 0 FCADHL CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574272637 1271147384 /nfs/dbraw/zinc/14/73/84/1271147384.db2.gz JBNGZHNRRACVSA-UHFFFAOYSA-N -2 3 374.409 0.001 20 0 FCADHL C[C@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1[O-] ZINC001574796809 1271534996 /nfs/dbraw/zinc/53/49/96/1271534996.db2.gz OFRALSYMSIJFFK-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1[O-] ZINC001574796809 1271534999 /nfs/dbraw/zinc/53/49/99/1271534999.db2.gz OFRALSYMSIJFFK-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1[O-] ZINC001574826891 1271573117 /nfs/dbraw/zinc/57/31/17/1271573117.db2.gz LKSMEFABZMBNHN-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)c1ncccc1[O-] ZINC001574826891 1271573121 /nfs/dbraw/zinc/57/31/21/1271573121.db2.gz LKSMEFABZMBNHN-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001575355085 1271984040 /nfs/dbraw/zinc/98/40/40/1271984040.db2.gz DLPZKUGBUUJHOQ-BDAKNGLRSA-N -2 3 371.357 0.953 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575355415 1271984397 /nfs/dbraw/zinc/98/43/97/1271984397.db2.gz GUTZQZWPHGQSDJ-NXEZZACHSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575355415 1271984402 /nfs/dbraw/zinc/98/44/02/1271984402.db2.gz GUTZQZWPHGQSDJ-NXEZZACHSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575842893 1272514631 /nfs/dbraw/zinc/51/46/31/1272514631.db2.gz DOQRRJCDTWOYNI-INIZCTEOSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575842893 1272514638 /nfs/dbraw/zinc/51/46/38/1272514638.db2.gz DOQRRJCDTWOYNI-INIZCTEOSA-N -2 3 367.373 0.156 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncccc1-c1nnn[n-]1 ZINC001576916820 1273935795 /nfs/dbraw/zinc/93/57/95/1273935795.db2.gz HALZVCCCBQYRBC-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncccc1-c1nn[n-]n1 ZINC001576916820 1273935806 /nfs/dbraw/zinc/93/58/06/1273935806.db2.gz HALZVCCCBQYRBC-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nnn[n-]1 ZINC001576917214 1273936844 /nfs/dbraw/zinc/93/68/44/1273936844.db2.gz IMUAPFBAPRYWPK-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nn[n-]n1 ZINC001576917214 1273936850 /nfs/dbraw/zinc/93/68/50/1273936850.db2.gz IMUAPFBAPRYWPK-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL CC[C@H](O)[C@H]1CCCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576998843 1274032956 /nfs/dbraw/zinc/03/29/56/1274032956.db2.gz JXFRYRPBMMTCEM-OLZOCXBDSA-N -2 3 358.406 0.740 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001578949377 1276494792 /nfs/dbraw/zinc/49/47/92/1276494792.db2.gz HGVDZXCEILXKQH-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001578949377 1276494796 /nfs/dbraw/zinc/49/47/96/1276494796.db2.gz HGVDZXCEILXKQH-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001578955597 1276500657 /nfs/dbraw/zinc/50/06/57/1276500657.db2.gz LWQOQRRAKLNEPX-UHFFFAOYSA-N -2 3 374.386 0.577 20 0 FCADHL CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001578955597 1276500661 /nfs/dbraw/zinc/50/06/61/1276500661.db2.gz LWQOQRRAKLNEPX-UHFFFAOYSA-N -2 3 374.386 0.577 20 0 FCADHL CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)no1 ZINC001609241494 1289014608 /nfs/dbraw/zinc/01/46/08/1289014608.db2.gz BCFDDOREVCOEMS-SSDOTTSWSA-N -2 3 369.363 0.419 20 0 FCADHL CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)no1 ZINC001609241494 1289014613 /nfs/dbraw/zinc/01/46/13/1289014613.db2.gz BCFDDOREVCOEMS-SSDOTTSWSA-N -2 3 369.363 0.419 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001581057314 1279301432 /nfs/dbraw/zinc/30/14/32/1279301432.db2.gz APKVJBLGWSONJE-LLVKDONJSA-N -2 3 368.401 0.925 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)c1[O-] ZINC001581390702 1279820645 /nfs/dbraw/zinc/82/06/45/1279820645.db2.gz CDWKSABZKZUIAW-VIFPVBQESA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2cccc(F)c2-c2nnn[n-]2)c1[O-] ZINC001581391359 1279821532 /nfs/dbraw/zinc/82/15/32/1279821532.db2.gz HXLBIKITRPOMIQ-MRVPVSSYSA-N -2 3 374.380 0.998 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2cccc(F)c2-c2nn[n-]n2)c1[O-] ZINC001581391359 1279821543 /nfs/dbraw/zinc/82/15/43/1279821543.db2.gz HXLBIKITRPOMIQ-MRVPVSSYSA-N -2 3 374.380 0.998 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1[O-] ZINC001581391885 1279823385 /nfs/dbraw/zinc/82/33/85/1279823385.db2.gz ZOFSOBPNKNOZPS-YUMQZZPRSA-N -2 3 372.393 0.403 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1[O-] ZINC001581391885 1279823389 /nfs/dbraw/zinc/82/33/89/1279823389.db2.gz ZOFSOBPNKNOZPS-YUMQZZPRSA-N -2 3 372.393 0.403 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1[O-] ZINC001581391876 1279824517 /nfs/dbraw/zinc/82/45/17/1279824517.db2.gz NZCFAKBMXGBRTL-SECBINFHSA-N -2 3 355.362 0.008 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1[O-] ZINC001581391876 1279824526 /nfs/dbraw/zinc/82/45/26/1279824526.db2.gz NZCFAKBMXGBRTL-SECBINFHSA-N -2 3 355.362 0.008 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581392140 1279825071 /nfs/dbraw/zinc/82/50/71/1279825071.db2.gz XODGBTOYNCEKJA-JTQLQIEISA-N -2 3 369.389 0.398 20 0 FCADHL C[C@@H](CCNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1[O-] ZINC001603490252 1287389394 /nfs/dbraw/zinc/38/93/94/1287389394.db2.gz PMPVCTKYYYWMQF-JTQLQIEISA-N -2 3 354.374 0.405 20 0 FCADHL C[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001603488498 1287389108 /nfs/dbraw/zinc/38/91/08/1287389108.db2.gz NRJFLFJMVPGOEJ-ZETCQYMHSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001603488498 1287389111 /nfs/dbraw/zinc/38/91/11/1287389111.db2.gz NRJFLFJMVPGOEJ-ZETCQYMHSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@@H](CN(C)S(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001603510215 1287395323 /nfs/dbraw/zinc/39/53/23/1287395323.db2.gz QHXMJMPFDXACSH-ZETCQYMHSA-N -2 3 359.795 0.861 20 0 FCADHL C[C@@H](CN(C)S(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001603510215 1287395329 /nfs/dbraw/zinc/39/53/29/1287395329.db2.gz QHXMJMPFDXACSH-ZETCQYMHSA-N -2 3 359.795 0.861 20 0 FCADHL Cc1nsc(N(C)CCN(C)C(=O)c2ncccc2[O-])c1-c1nnn[n-]1 ZINC001581664447 1280375172 /nfs/dbraw/zinc/37/51/72/1280375172.db2.gz XPLCIFPRALNZDO-UHFFFAOYSA-N -2 3 374.430 0.941 20 0 FCADHL Cc1nsc(N(C)CCN(C)C(=O)c2ncccc2[O-])c1-c1nn[n-]n1 ZINC001581664447 1280375175 /nfs/dbraw/zinc/37/51/75/1280375175.db2.gz XPLCIFPRALNZDO-UHFFFAOYSA-N -2 3 374.430 0.941 20 0 FCADHL C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1cccc(-c2nnn[n-]2)c1 ZINC001603622985 1287449270 /nfs/dbraw/zinc/44/92/70/1287449270.db2.gz PIOGHTCQQDGZNH-MNRXQERYSA-N -2 3 372.385 0.670 20 0 FCADHL C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1cccc(-c2nn[n-]n2)c1 ZINC001603622985 1287449274 /nfs/dbraw/zinc/44/92/74/1287449274.db2.gz PIOGHTCQQDGZNH-MNRXQERYSA-N -2 3 372.385 0.670 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603752807 1287487775 /nfs/dbraw/zinc/48/77/75/1287487775.db2.gz YTBQEYQSMJHGPO-AWEZNQCLSA-N -2 3 351.388 0.636 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001603751789 1287487860 /nfs/dbraw/zinc/48/78/60/1287487860.db2.gz NGDXWXWFUXBWGL-AWEZNQCLSA-N -2 3 369.378 0.881 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001603751789 1287487862 /nfs/dbraw/zinc/48/78/62/1287487862.db2.gz NGDXWXWFUXBWGL-AWEZNQCLSA-N -2 3 369.378 0.881 20 0 FCADHL O=C(NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ncccc1[O-] ZINC001582320436 1281335763 /nfs/dbraw/zinc/33/57/63/1281335763.db2.gz DSHMKNDEMKDJPK-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ncccc1[O-] ZINC001582320436 1281335772 /nfs/dbraw/zinc/33/57/72/1281335772.db2.gz DSHMKNDEMKDJPK-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)c1ncccc1[O-] ZINC001582333505 1281365662 /nfs/dbraw/zinc/36/56/62/1281365662.db2.gz DHLOLAKAZBMVNY-UHFFFAOYSA-N -2 3 369.360 0.721 20 0 FCADHL O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)c1ncccc1[O-] ZINC001582333505 1281365668 /nfs/dbraw/zinc/36/56/68/1281365668.db2.gz DHLOLAKAZBMVNY-UHFFFAOYSA-N -2 3 369.360 0.721 20 0 FCADHL O=C(NC1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1)c1ncccc1[O-] ZINC001582334194 1281366573 /nfs/dbraw/zinc/36/65/73/1281366573.db2.gz FETURAAMNSXTFE-UHFFFAOYSA-N -2 3 369.360 0.721 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001582338583 1281373345 /nfs/dbraw/zinc/37/33/45/1281373345.db2.gz FXQFZZRZWPPLHR-UHFFFAOYSA-N -2 3 365.353 0.240 20 0 FCADHL O=C(NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)c1ncccc1[O-] ZINC001582445960 1281545010 /nfs/dbraw/zinc/54/50/10/1281545010.db2.gz GYNYOKUUYKUXRT-LBPRGKRZSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582457136 1281573767 /nfs/dbraw/zinc/57/37/67/1281573767.db2.gz ZXZJJWFKNRHZBY-NSHDSACASA-N -2 3 366.385 0.619 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844675 1287515440 /nfs/dbraw/zinc/51/54/40/1287515440.db2.gz IDSJCRQLTXHLTE-WCQYABFASA-N -2 3 374.401 0.998 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844279 1287516371 /nfs/dbraw/zinc/51/63/71/1287516371.db2.gz CSLBOSZNQWFRIZ-GWCFXTLKSA-N -2 3 365.415 0.739 20 0 FCADHL O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc2ccc(O)cc2c1[O-] ZINC001582528802 1281709215 /nfs/dbraw/zinc/70/92/15/1281709215.db2.gz NYBDHPSJZACGGV-UHFFFAOYSA-N -2 3 366.341 0.453 20 0 FCADHL O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccc2ccc(O)cc2c1[O-] ZINC001582528802 1281709225 /nfs/dbraw/zinc/70/92/25/1281709225.db2.gz NYBDHPSJZACGGV-UHFFFAOYSA-N -2 3 366.341 0.453 20 0 FCADHL O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001582539589 1281730495 /nfs/dbraw/zinc/73/04/95/1281730495.db2.gz RUWMEGULNFFODK-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001582539589 1281730505 /nfs/dbraw/zinc/73/05/05/1281730505.db2.gz RUWMEGULNFFODK-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582568687 1281754249 /nfs/dbraw/zinc/75/42/49/1281754249.db2.gz KONFXERSLMSTCD-LLVKDONJSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582568687 1281754255 /nfs/dbraw/zinc/75/42/55/1281754255.db2.gz KONFXERSLMSTCD-LLVKDONJSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582616475 1281812880 /nfs/dbraw/zinc/81/28/80/1281812880.db2.gz VDUKDYPJVBDWBY-MGCOHNPYSA-N -2 3 352.358 0.735 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582616475 1281812884 /nfs/dbraw/zinc/81/28/84/1281812884.db2.gz VDUKDYPJVBDWBY-MGCOHNPYSA-N -2 3 352.358 0.735 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001582751823 1281978907 /nfs/dbraw/zinc/97/89/07/1281978907.db2.gz YFQRACNEUNYMBK-JTQLQIEISA-N -2 3 367.373 0.332 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001582751823 1281978911 /nfs/dbraw/zinc/97/89/11/1281978911.db2.gz YFQRACNEUNYMBK-JTQLQIEISA-N -2 3 367.373 0.332 20 0 FCADHL C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncccc1[O-] ZINC001603944089 1287541301 /nfs/dbraw/zinc/54/13/01/1287541301.db2.gz FFLOEMHOGXGTOX-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncccc1[O-] ZINC001603944089 1287541305 /nfs/dbraw/zinc/54/13/05/1287541305.db2.gz FFLOEMHOGXGTOX-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncccc1[O-] ZINC001603944090 1287541650 /nfs/dbraw/zinc/54/16/50/1287541650.db2.gz FFLOEMHOGXGTOX-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncccc1[O-] ZINC001603944090 1287541652 /nfs/dbraw/zinc/54/16/52/1287541652.db2.gz FFLOEMHOGXGTOX-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL O=c1cc(CN2CCOC[C@H]2C2CCC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814521 1282036482 /nfs/dbraw/zinc/03/64/82/1282036482.db2.gz NYHAAWFAALLOLN-ZDUSSCGKSA-N -2 3 356.390 0.616 20 0 FCADHL CN(C)S(=O)(=O)c1ccsc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001585949846 1282260157 /nfs/dbraw/zinc/26/01/57/1282260157.db2.gz HLXGTPNOFFCUHP-UHFFFAOYSA-N -2 3 358.401 0.130 20 0 FCADHL CC[C@]1(C)NC(=O)N([N-]C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1=O ZINC001604083712 1287568167 /nfs/dbraw/zinc/56/81/67/1287568167.db2.gz JNCCQKLILKIANT-ZDUSSCGKSA-N -2 3 364.753 0.280 20 0 FCADHL CC[C@]1(C)NC(=O)N([N-]C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1=O ZINC001604083712 1287568174 /nfs/dbraw/zinc/56/81/74/1287568174.db2.gz JNCCQKLILKIANT-ZDUSSCGKSA-N -2 3 364.753 0.280 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)C1 ZINC001604081757 1287568562 /nfs/dbraw/zinc/56/85/62/1287568562.db2.gz NJYQZMYIFVTLOA-AWEZNQCLSA-N -2 3 366.403 0.446 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)C1 ZINC001604081757 1287568563 /nfs/dbraw/zinc/56/85/63/1287568563.db2.gz NJYQZMYIFVTLOA-AWEZNQCLSA-N -2 3 366.403 0.446 20 0 FCADHL CCCc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)co1 ZINC001604246724 1287593063 /nfs/dbraw/zinc/59/30/63/1287593063.db2.gz RGWJEGYKMHBTTA-UHFFFAOYSA-N -2 3 362.371 0.926 20 0 FCADHL CCCc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)co1 ZINC001604246724 1287593065 /nfs/dbraw/zinc/59/30/65/1287593065.db2.gz RGWJEGYKMHBTTA-UHFFFAOYSA-N -2 3 362.371 0.926 20 0 FCADHL CC(C)[C@H](CNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589456406 1282885013 /nfs/dbraw/zinc/88/50/13/1282885013.db2.gz GNIWXNZFUVLFEA-LBPRGKRZSA-N -2 3 353.404 0.643 20 0 FCADHL CC(C)[C@H](CNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589456406 1282885023 /nfs/dbraw/zinc/88/50/23/1282885023.db2.gz GNIWXNZFUVLFEA-LBPRGKRZSA-N -2 3 353.404 0.643 20 0 FCADHL CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nnn[n-]1 ZINC001642426159 1283008236 /nfs/dbraw/zinc/00/82/36/1283008236.db2.gz APKTVSNEZFAHNO-UHFFFAOYSA-N -2 3 365.202 0.448 20 0 FCADHL C[C@@H](CCC(=O)[O-])CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589802058 1283019011 /nfs/dbraw/zinc/01/90/11/1283019011.db2.gz HIUOIEWVPSWASI-QMMMGPOBSA-N -2 3 357.367 0.785 20 0 FCADHL CCOC(=O)[C@H](C)[C@H](C)NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001604362270 1287615798 /nfs/dbraw/zinc/61/57/98/1287615798.db2.gz RIQMRKFXYZMZGM-BDAKNGLRSA-N -2 3 360.378 0.292 20 0 FCADHL C[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1)C(=O)[O-] ZINC001589857621 1283092247 /nfs/dbraw/zinc/09/22/47/1283092247.db2.gz DYPUTPHZUQRVAB-MWLCHTKSSA-N -2 3 361.362 0.145 20 0 FCADHL C[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1)C(=O)[O-] ZINC001589857621 1283092257 /nfs/dbraw/zinc/09/22/57/1283092257.db2.gz DYPUTPHZUQRVAB-MWLCHTKSSA-N -2 3 361.362 0.145 20 0 FCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C1(Cl)CC1 ZINC001590024179 1283180765 /nfs/dbraw/zinc/18/07/65/1283180765.db2.gz GDBOLAOQLHMKIU-QMMMGPOBSA-N -2 3 371.806 0.809 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CCCCO1 ZINC001590069162 1283199836 /nfs/dbraw/zinc/19/98/36/1283199836.db2.gz UZXQMRBAPVJMOC-ZDUSSCGKSA-N -2 3 352.376 0.026 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CCCCO1 ZINC001590069162 1283199840 /nfs/dbraw/zinc/19/98/40/1283199840.db2.gz UZXQMRBAPVJMOC-ZDUSSCGKSA-N -2 3 352.376 0.026 20 0 FCADHL CC1(C)CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001590107231 1283218603 /nfs/dbraw/zinc/21/86/03/1283218603.db2.gz VCMYJDZWOJUIGQ-LLVKDONJSA-N -2 3 351.388 0.492 20 0 FCADHL CC1(C)CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001590107231 1283218607 /nfs/dbraw/zinc/21/86/07/1283218607.db2.gz VCMYJDZWOJUIGQ-LLVKDONJSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CO1 ZINC001590183640 1283289138 /nfs/dbraw/zinc/28/91/38/1283289138.db2.gz OGHBAMMJPFXPDR-HTQZYQBOSA-N -2 3 371.806 0.750 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CO1 ZINC001590183640 1283289143 /nfs/dbraw/zinc/28/91/43/1283289143.db2.gz OGHBAMMJPFXPDR-HTQZYQBOSA-N -2 3 371.806 0.750 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001590185222 1283292291 /nfs/dbraw/zinc/29/22/91/1283292291.db2.gz NAUBEAQCVDOCJX-WCBMZHEXSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001590185222 1283292300 /nfs/dbraw/zinc/29/23/00/1283292300.db2.gz NAUBEAQCVDOCJX-WCBMZHEXSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590226007 1283355456 /nfs/dbraw/zinc/35/54/56/1283355456.db2.gz IXRLVZXXVBTRGQ-BDAKNGLRSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001590274632 1283400227 /nfs/dbraw/zinc/40/02/27/1283400227.db2.gz NPCAJHVTGAXMTD-RKDXNWHRSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001590274632 1283400231 /nfs/dbraw/zinc/40/02/31/1283400231.db2.gz NPCAJHVTGAXMTD-RKDXNWHRSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1CC(=O)[O-] ZINC001590275744 1283402563 /nfs/dbraw/zinc/40/25/63/1283402563.db2.gz FZPLWQKFYKFJNH-JQWIXIFHSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1CC(=O)[O-] ZINC001590275744 1283402566 /nfs/dbraw/zinc/40/25/66/1283402566.db2.gz FZPLWQKFYKFJNH-JQWIXIFHSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@H](C(=O)[O-])C1 ZINC001590277331 1283404966 /nfs/dbraw/zinc/40/49/66/1283404966.db2.gz VNKBWJQCZNPZHE-PELKAZGASA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001590312625 1283457287 /nfs/dbraw/zinc/45/72/87/1283457287.db2.gz JTZODLDBOOUACY-VDDIYKPWSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001590312625 1283457291 /nfs/dbraw/zinc/45/72/91/1283457291.db2.gz JTZODLDBOOUACY-VDDIYKPWSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590327185 1283471759 /nfs/dbraw/zinc/47/17/59/1283471759.db2.gz ZQOKJHNGIHLKHM-MFKMUULPSA-N -2 3 365.415 0.485 20 0 FCADHL C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590327185 1283471761 /nfs/dbraw/zinc/47/17/61/1283471761.db2.gz ZQOKJHNGIHLKHM-MFKMUULPSA-N -2 3 365.415 0.485 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590333460 1283478948 /nfs/dbraw/zinc/47/89/48/1283478948.db2.gz DZMGQVQROYWNQI-XHSYRHOGSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590333460 1283478952 /nfs/dbraw/zinc/47/89/52/1283478952.db2.gz DZMGQVQROYWNQI-XHSYRHOGSA-N -2 3 365.415 0.731 20 0 FCADHL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590371328 1283506592 /nfs/dbraw/zinc/50/65/92/1283506592.db2.gz WOZHSDXKXWJDRK-VIFPVBQESA-N -2 3 355.376 0.359 20 0 FCADHL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590371328 1283506598 /nfs/dbraw/zinc/50/65/98/1283506598.db2.gz WOZHSDXKXWJDRK-VIFPVBQESA-N -2 3 355.376 0.359 20 0 FCADHL CC[C@@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590403514 1283521780 /nfs/dbraw/zinc/52/17/80/1283521780.db2.gz UZNURAIYAWUSPJ-KCJUWKMLSA-N -2 3 354.392 0.128 20 0 FCADHL CC[C@@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590403514 1283521788 /nfs/dbraw/zinc/52/17/88/1283521788.db2.gz UZNURAIYAWUSPJ-KCJUWKMLSA-N -2 3 354.392 0.128 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590415639 1283532484 /nfs/dbraw/zinc/53/24/84/1283532484.db2.gz YHNKAWPCJCLYPZ-SECBINFHSA-N -2 3 369.403 0.495 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590415639 1283532495 /nfs/dbraw/zinc/53/24/95/1283532495.db2.gz YHNKAWPCJCLYPZ-SECBINFHSA-N -2 3 369.403 0.495 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590499570 1283567828 /nfs/dbraw/zinc/56/78/28/1283567828.db2.gz MAUMZFOYUAQRAY-MNOVXSKESA-N -2 3 352.376 0.136 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590499570 1283567837 /nfs/dbraw/zinc/56/78/37/1283567837.db2.gz MAUMZFOYUAQRAY-MNOVXSKESA-N -2 3 352.376 0.136 20 0 FCADHL CCOC1CC(CC(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001590787052 1283844085 /nfs/dbraw/zinc/84/40/85/1283844085.db2.gz KFGUWWJVAIZSNH-UHFFFAOYSA-N -2 3 365.415 0.877 20 0 FCADHL CCOC1CC(CC(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001590787052 1283844096 /nfs/dbraw/zinc/84/40/96/1283844096.db2.gz KFGUWWJVAIZSNH-UHFFFAOYSA-N -2 3 365.415 0.877 20 0 FCADHL CCO[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(C)C ZINC001590797911 1283858618 /nfs/dbraw/zinc/85/86/18/1283858618.db2.gz DMFLQSYTJNLCRE-GFCCVEGCSA-N -2 3 368.419 0.518 20 0 FCADHL CCO[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(C)C ZINC001590797911 1283858632 /nfs/dbraw/zinc/85/86/32/1283858632.db2.gz DMFLQSYTJNLCRE-GFCCVEGCSA-N -2 3 368.419 0.518 20 0 FCADHL CNC(=O)COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1 ZINC001591208784 1284337128 /nfs/dbraw/zinc/33/71/28/1284337128.db2.gz RCWGMOIWOFXHIS-UHFFFAOYSA-N -2 3 368.353 0.949 20 0 FCADHL CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC001604658051 1287711366 /nfs/dbraw/zinc/71/13/66/1287711366.db2.gz NOMLJZAZYZOIKO-UHFFFAOYSA-N -2 3 373.398 0.910 20 0 FCADHL COC(=O)c1sccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001591309482 1284460636 /nfs/dbraw/zinc/46/06/36/1284460636.db2.gz RAPQGKFKAGCPDJ-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COC(=O)c1sccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001591309482 1284460642 /nfs/dbraw/zinc/46/06/42/1284460642.db2.gz RAPQGKFKAGCPDJ-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL CO[C@H](C(=O)[O-])C(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591315187 1284464299 /nfs/dbraw/zinc/46/42/99/1284464299.db2.gz GIOXFPJXDFVXMZ-DTWKUNHWSA-N -2 3 359.264 0.686 20 0 FCADHL CO[C@H](C(=O)[O-])C(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591315187 1284464305 /nfs/dbraw/zinc/46/43/05/1284464305.db2.gz GIOXFPJXDFVXMZ-DTWKUNHWSA-N -2 3 359.264 0.686 20 0 FCADHL COC(C)(C)CCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591316849 1284465428 /nfs/dbraw/zinc/46/54/28/1284465428.db2.gz QTKICFSOSSUSCN-UHFFFAOYSA-N -2 3 367.431 0.670 20 0 FCADHL COC(C)(C)CCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591316849 1284465435 /nfs/dbraw/zinc/46/54/35/1284465435.db2.gz QTKICFSOSSUSCN-UHFFFAOYSA-N -2 3 367.431 0.670 20 0 FCADHL COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591317104 1284466212 /nfs/dbraw/zinc/46/62/12/1284466212.db2.gz TUMDETSOPCFZDN-UHFFFAOYSA-N -2 3 353.404 0.741 20 0 FCADHL COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591317104 1284466219 /nfs/dbraw/zinc/46/62/19/1284466219.db2.gz TUMDETSOPCFZDN-UHFFFAOYSA-N -2 3 353.404 0.741 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1sccc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC001591333262 1284475048 /nfs/dbraw/zinc/47/50/48/1284475048.db2.gz KJKSROOCJFUDEV-WCBMZHEXSA-N -2 3 359.433 0.721 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1nc2n(c1-c1nn[n-]n1)CCS2)C(C)C ZINC001591332858 1284475945 /nfs/dbraw/zinc/47/59/45/1284475945.db2.gz FLBKBIHAEKRAHP-QMMMGPOBSA-N -2 3 373.464 0.582 20 0 FCADHL COC[C@@H](C)S(=O)(=O)N(CC(=O)[O-])Cc1cccc(-c2nn[n-]n2)c1 ZINC001591376271 1284512858 /nfs/dbraw/zinc/51/28/58/1284512858.db2.gz RPCSGKDPIGGRJR-SNVBAGLBSA-N -2 3 369.403 0.118 20 0 FCADHL COCCS(=O)(=O)[N-]c1nn(-c2ccc(-c3nnn[n-]3)cn2)cc1C ZINC001591446652 1284605193 /nfs/dbraw/zinc/60/51/93/1284605193.db2.gz RGBAVUNEKKZSGP-UHFFFAOYSA-N -2 3 364.391 0.144 20 0 FCADHL COCCS(=O)(=O)[N-]c1nn(-c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC001591446652 1284605206 /nfs/dbraw/zinc/60/52/06/1284605206.db2.gz RGBAVUNEKKZSGP-UHFFFAOYSA-N -2 3 364.391 0.144 20 0 FCADHL COCCn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001591450351 1284609373 /nfs/dbraw/zinc/60/93/73/1284609373.db2.gz KNPODTURIKRXBH-UHFFFAOYSA-N -2 3 355.405 0.572 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)ccc1-c1nnn[n-]1 ZINC001591515655 1284706416 /nfs/dbraw/zinc/70/64/16/1284706416.db2.gz CBQKGZALEHIEHX-UHFFFAOYSA-N -2 3 354.392 0.190 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)ccc1-c1nn[n-]n1 ZINC001591515655 1284706430 /nfs/dbraw/zinc/70/64/30/1284706430.db2.gz CBQKGZALEHIEHX-UHFFFAOYSA-N -2 3 354.392 0.190 20 0 FCADHL COc1ccc(CNC(=O)NCC2(C(=O)[O-])CCC2)cc1-c1nnn[n-]1 ZINC001591595029 1284761572 /nfs/dbraw/zinc/76/15/72/1284761572.db2.gz RHTMIFHDIUGLST-UHFFFAOYSA-N -2 3 360.374 0.929 20 0 FCADHL COc1ccc(CNC(=O)NCC2(C(=O)[O-])CCC2)cc1-c1nn[n-]n1 ZINC001591595029 1284761580 /nfs/dbraw/zinc/76/15/80/1284761580.db2.gz RHTMIFHDIUGLST-UHFFFAOYSA-N -2 3 360.374 0.929 20 0 FCADHL COc1cccc(CC(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001591635037 1284774193 /nfs/dbraw/zinc/77/41/93/1284774193.db2.gz PGHQAFHKBITHFJ-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL COc1cccc(CC(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001591635037 1284774201 /nfs/dbraw/zinc/77/42/01/1284774201.db2.gz PGHQAFHKBITHFJ-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001591646491 1284777845 /nfs/dbraw/zinc/77/78/45/1284777845.db2.gz AIMPHQCSSLZFDO-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001591646491 1284777856 /nfs/dbraw/zinc/77/78/56/1284777856.db2.gz AIMPHQCSSLZFDO-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL COc1cnc([C@@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)[n-]c1=O ZINC001591659973 1284788846 /nfs/dbraw/zinc/78/88/46/1284788846.db2.gz BCTGIOYVXLVZJU-JTQLQIEISA-N -2 3 355.362 0.811 20 0 FCADHL CSC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001591690053 1284832134 /nfs/dbraw/zinc/83/21/34/1284832134.db2.gz KVTRPOMNOQEVBM-UHFFFAOYSA-N -2 3 353.429 0.708 20 0 FCADHL CSC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001591690053 1284832144 /nfs/dbraw/zinc/83/21/44/1284832144.db2.gz KVTRPOMNOQEVBM-UHFFFAOYSA-N -2 3 353.429 0.708 20 0 FCADHL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1cc(-c2nnn[n-]2)cnn1 ZINC001591776000 1284898696 /nfs/dbraw/zinc/89/86/96/1284898696.db2.gz QNQYEPGIMJFVLQ-CBAPKCEASA-N -2 3 356.312 0.693 20 0 FCADHL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1cc(-c2nn[n-]n2)cnn1 ZINC001591776000 1284898703 /nfs/dbraw/zinc/89/87/03/1284898703.db2.gz QNQYEPGIMJFVLQ-CBAPKCEASA-N -2 3 356.312 0.693 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cccc1-c1nnn[n-]1 ZINC001591810383 1284921823 /nfs/dbraw/zinc/92/18/23/1284921823.db2.gz RVZMQQAXKMGEEQ-JTQLQIEISA-N -2 3 351.388 0.414 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cccc1-c1nn[n-]n1 ZINC001591810383 1284921829 /nfs/dbraw/zinc/92/18/29/1284921829.db2.gz RVZMQQAXKMGEEQ-JTQLQIEISA-N -2 3 351.388 0.414 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)c2ncccc2F)cccc1-c1nnn[n-]1 ZINC001591809820 1284922525 /nfs/dbraw/zinc/92/25/25/1284922525.db2.gz HYSLUSFYAKWGLB-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)c2ncccc2F)cccc1-c1nn[n-]n1 ZINC001591809820 1284922539 /nfs/dbraw/zinc/92/25/39/1284922539.db2.gz HYSLUSFYAKWGLB-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC001591863266 1284953308 /nfs/dbraw/zinc/95/33/08/1284953308.db2.gz MLVQGWNPKCWUEM-UHFFFAOYSA-N -2 3 373.398 0.437 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC001591863266 1284953314 /nfs/dbraw/zinc/95/33/14/1284953314.db2.gz MLVQGWNPKCWUEM-UHFFFAOYSA-N -2 3 373.398 0.437 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC1([C@@H](C)C(=O)[O-])CC1 ZINC001591874212 1284962684 /nfs/dbraw/zinc/96/26/84/1284962684.db2.gz ZAPLZPRBIGPHTI-VIFPVBQESA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC1([C@@H](C)C(=O)[O-])CC1 ZINC001591874212 1284962692 /nfs/dbraw/zinc/96/26/92/1284962692.db2.gz ZAPLZPRBIGPHTI-VIFPVBQESA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC001591875553 1284965418 /nfs/dbraw/zinc/96/54/18/1284965418.db2.gz FKVNITZRLNDSMP-UHFFFAOYSA-N -2 3 372.410 0.872 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC001591875553 1284965430 /nfs/dbraw/zinc/96/54/30/1284965430.db2.gz FKVNITZRLNDSMP-UHFFFAOYSA-N -2 3 372.410 0.872 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001591883678 1284973575 /nfs/dbraw/zinc/97/35/75/1284973575.db2.gz AINUIBBQORFMND-VXGBXAGGSA-N -2 3 368.401 0.998 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ns1 ZINC001591929829 1285015956 /nfs/dbraw/zinc/01/59/56/1285015956.db2.gz PCPNWQHFEZBYGB-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ns1 ZINC001591929829 1285015962 /nfs/dbraw/zinc/01/59/62/1285015962.db2.gz PCPNWQHFEZBYGB-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1cnc(-c2nnn[n-]2)cn1 ZINC001604749269 1287761598 /nfs/dbraw/zinc/76/15/98/1287761598.db2.gz SLIULMQWIYIWIY-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1cnc(-c2nn[n-]n2)cn1 ZINC001604749269 1287761604 /nfs/dbraw/zinc/76/16/04/1287761604.db2.gz SLIULMQWIYIWIY-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC001592111244 1285148425 /nfs/dbraw/zinc/14/84/25/1285148425.db2.gz AOXOMSOHTDDBLX-NSHDSACASA-N -2 3 353.404 0.953 20 0 FCADHL Cc1ccc(N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)nc1-c1nnn[n-]1 ZINC001592175364 1285168931 /nfs/dbraw/zinc/16/89/31/1285168931.db2.gz QSJHNRMXZCQWGT-NWDGAFQWSA-N -2 3 368.401 0.998 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001592213856 1285184807 /nfs/dbraw/zinc/18/48/07/1285184807.db2.gz JWYZBGHFEWESDT-QWRGUYRKSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001592213856 1285184808 /nfs/dbraw/zinc/18/48/08/1285184808.db2.gz JWYZBGHFEWESDT-QWRGUYRKSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001592240282 1285195767 /nfs/dbraw/zinc/19/57/67/1285195767.db2.gz ZOTFJEQNVOVVCT-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001592240282 1285195770 /nfs/dbraw/zinc/19/57/70/1285195770.db2.gz ZOTFJEQNVOVVCT-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001592241118 1285198471 /nfs/dbraw/zinc/19/84/71/1285198471.db2.gz HGWYMPOZIJHYFX-SKDRFNHKSA-N -2 3 367.387 0.038 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001592241118 1285198476 /nfs/dbraw/zinc/19/84/76/1285198476.db2.gz HGWYMPOZIJHYFX-SKDRFNHKSA-N -2 3 367.387 0.038 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592241710 1285199062 /nfs/dbraw/zinc/19/90/62/1285199062.db2.gz UTUVDQYRQLEWSA-SSDOTTSWSA-N -2 3 361.330 0.562 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])c1-c1nn[n-]n1 ZINC001592241710 1285199064 /nfs/dbraw/zinc/19/90/64/1285199064.db2.gz UTUVDQYRQLEWSA-SSDOTTSWSA-N -2 3 361.330 0.562 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592241380 1285199140 /nfs/dbraw/zinc/19/91/40/1285199140.db2.gz XUJYSFJNIKJXAA-JTQLQIEISA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cccc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])c1-c1nn[n-]n1 ZINC001592241380 1285199144 /nfs/dbraw/zinc/19/91/44/1285199144.db2.gz XUJYSFJNIKJXAA-JTQLQIEISA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cnc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c([O-])c1 ZINC001592288510 1285216357 /nfs/dbraw/zinc/21/63/57/1285216357.db2.gz ZYICTMDHUOXVPZ-UHFFFAOYSA-N -2 3 366.385 0.633 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1-c1nnn[n-]1 ZINC001592377203 1285287940 /nfs/dbraw/zinc/28/79/40/1285287940.db2.gz LYKFXLRFVZFCSY-WPRPVWTQSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1nc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1-c1nn[n-]n1 ZINC001592377203 1285287949 /nfs/dbraw/zinc/28/79/49/1285287949.db2.gz LYKFXLRFVZFCSY-WPRPVWTQSA-N -2 3 373.373 0.078 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1-c1nnn[n-]1 ZINC001592414493 1285334592 /nfs/dbraw/zinc/33/45/92/1285334592.db2.gz IFDRWTIHUAYQOH-ZDUSSCGKSA-N -2 3 374.382 0.674 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1-c1nn[n-]n1 ZINC001592414493 1285334599 /nfs/dbraw/zinc/33/45/99/1285334599.db2.gz IFDRWTIHUAYQOH-ZDUSSCGKSA-N -2 3 374.382 0.674 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592414136 1285334892 /nfs/dbraw/zinc/33/48/92/1285334892.db2.gz RIVWNTDXEPBIHG-NSHDSACASA-N -2 3 352.376 0.102 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592414136 1285334899 /nfs/dbraw/zinc/33/48/99/1285334899.db2.gz RIVWNTDXEPBIHG-NSHDSACASA-N -2 3 352.376 0.102 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592414030 1285336060 /nfs/dbraw/zinc/33/60/60/1285336060.db2.gz YEYBNFZZONUPJJ-LLVKDONJSA-N -2 3 352.376 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592414030 1285336069 /nfs/dbraw/zinc/33/60/69/1285336069.db2.gz YEYBNFZZONUPJJ-LLVKDONJSA-N -2 3 352.376 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccc3nncn3c2)cc1-c1nnn[n-]1 ZINC001592415226 1285339306 /nfs/dbraw/zinc/33/93/06/1285339306.db2.gz QXUGINGCKVKAPQ-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccc3nncn3c2)cc1-c1nn[n-]n1 ZINC001592415226 1285339314 /nfs/dbraw/zinc/33/93/14/1285339314.db2.gz QXUGINGCKVKAPQ-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001592570326 1285485051 /nfs/dbraw/zinc/48/50/51/1285485051.db2.gz PWCJXXCTIZMWHK-MNOVXSKESA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001592570326 1285485054 /nfs/dbraw/zinc/48/50/54/1285485054.db2.gz PWCJXXCTIZMWHK-MNOVXSKESA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592573681 1285490809 /nfs/dbraw/zinc/49/08/09/1285490809.db2.gz MOHIEZDXQGEGSW-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592573681 1285490816 /nfs/dbraw/zinc/49/08/16/1285490816.db2.gz MOHIEZDXQGEGSW-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL Cn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001592597529 1285531547 /nfs/dbraw/zinc/53/15/47/1285531547.db2.gz HDIHVUVPFCWBLN-UHFFFAOYSA-N -2 3 363.388 0.406 20 0 FCADHL Cn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC001592598040 1285532276 /nfs/dbraw/zinc/53/22/76/1285532276.db2.gz YSDUYXQKDLLZLV-UHFFFAOYSA-N -2 3 371.386 0.587 20 0 FCADHL NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592736170 1285648682 /nfs/dbraw/zinc/64/86/82/1285648682.db2.gz XXACBSSFAIZUMA-UHFFFAOYSA-N -2 3 352.307 0.499 20 0 FCADHL O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592863665 1285767671 /nfs/dbraw/zinc/76/76/71/1285767671.db2.gz XLVUACHKFXHXBG-BETUJISGSA-N -2 3 368.353 0.228 20 0 FCADHL O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592863665 1285767678 /nfs/dbraw/zinc/76/76/78/1285767678.db2.gz XLVUACHKFXHXBG-BETUJISGSA-N -2 3 368.353 0.228 20 0 FCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001592893679 1285797257 /nfs/dbraw/zinc/79/72/57/1285797257.db2.gz AWKRMKMTOCFWRZ-UHFFFAOYSA-N -2 3 370.373 0.475 20 0 FCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001592893679 1285797263 /nfs/dbraw/zinc/79/72/63/1285797263.db2.gz AWKRMKMTOCFWRZ-UHFFFAOYSA-N -2 3 370.373 0.475 20 0 FCADHL O=C(NCC=CCNc1ccc(-c2nnn[n-]2)cn1)c1ncccc1[O-] ZINC001593051911 1285944973 /nfs/dbraw/zinc/94/49/73/1285944973.db2.gz NKUDVUMSSIMDBO-UPHRSURJSA-N -2 3 352.358 0.760 20 0 FCADHL O=C(NCC=CCNc1nccnc1-c1nnn[n-]1)c1ncccc1[O-] ZINC001593055534 1285948401 /nfs/dbraw/zinc/94/84/01/1285948401.db2.gz MNSSKKKQPLZMJW-UPHRSURJSA-N -2 3 353.346 0.155 20 0 FCADHL O=C(NCC=CCNc1nccnc1-c1nn[n-]n1)c1ncccc1[O-] ZINC001593055534 1285948407 /nfs/dbraw/zinc/94/84/07/1285948407.db2.gz MNSSKKKQPLZMJW-UPHRSURJSA-N -2 3 353.346 0.155 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC001593168790 1286025764 /nfs/dbraw/zinc/02/57/64/1286025764.db2.gz DIXFMMHZQJWVKW-QMMMGPOBSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC001593168790 1286025767 /nfs/dbraw/zinc/02/57/67/1286025767.db2.gz DIXFMMHZQJWVKW-QMMMGPOBSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCN1c1ncccn1 ZINC001593170363 1286026134 /nfs/dbraw/zinc/02/61/34/1286026134.db2.gz GOWVQBZQYSDKKH-CYBMUJFWSA-N -2 3 352.358 0.736 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCN1c1ncccn1 ZINC001593170363 1286026137 /nfs/dbraw/zinc/02/61/37/1286026137.db2.gz GOWVQBZQYSDKKH-CYBMUJFWSA-N -2 3 352.358 0.736 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)C[C@@H]21 ZINC001593272551 1286057080 /nfs/dbraw/zinc/05/70/80/1286057080.db2.gz BYQZMHCWURDSDS-VDDIYKPWSA-N -2 3 367.362 0.347 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)C[C@@H]21 ZINC001593272551 1286057084 /nfs/dbraw/zinc/05/70/84/1286057084.db2.gz BYQZMHCWURDSDS-VDDIYKPWSA-N -2 3 367.362 0.347 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593273497 1286057561 /nfs/dbraw/zinc/05/75/61/1286057561.db2.gz HSELXBWDFCOXLX-CWSCBRNRSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593273497 1286057565 /nfs/dbraw/zinc/05/75/65/1286057565.db2.gz HSELXBWDFCOXLX-CWSCBRNRSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC001593276489 1286059772 /nfs/dbraw/zinc/05/97/72/1286059772.db2.gz KWWBLNMJCKTUOO-VIFPVBQESA-N -2 3 359.264 0.767 20 0 FCADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC001593276861 1286060340 /nfs/dbraw/zinc/06/03/40/1286060340.db2.gz VREMXMZNAGNSSF-UHFFFAOYSA-N -3 3 359.314 0.288 20 0 FCADHL O=C([O-])C[C@H]1CCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593277785 1286060390 /nfs/dbraw/zinc/06/03/90/1286060390.db2.gz HTKINBLEABJNQQ-LLVKDONJSA-N -2 3 369.378 0.775 20 0 FCADHL O=C([O-])[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC001593276750 1286060482 /nfs/dbraw/zinc/06/04/82/1286060482.db2.gz PPBRUEDFVAXVAQ-LLVKDONJSA-N -2 3 350.310 0.001 20 0 FCADHL O=C([O-])[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC001593276750 1286060487 /nfs/dbraw/zinc/06/04/87/1286060487.db2.gz PPBRUEDFVAXVAQ-LLVKDONJSA-N -2 3 350.310 0.001 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001593278078 1286060665 /nfs/dbraw/zinc/06/06/65/1286060665.db2.gz PYUKQWYJTBJYDQ-VIFPVBQESA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001593278311 1286060797 /nfs/dbraw/zinc/06/07/97/1286060797.db2.gz YHRMKYBIIJCGEC-NSHDSACASA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001593278311 1286060801 /nfs/dbraw/zinc/06/08/01/1286060801.db2.gz YHRMKYBIIJCGEC-NSHDSACASA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001593278834 1286062223 /nfs/dbraw/zinc/06/22/23/1286062223.db2.gz CUVRSUUXANVCCL-LLVKDONJSA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001593278834 1286062224 /nfs/dbraw/zinc/06/22/24/1286062224.db2.gz CUVRSUUXANVCCL-LLVKDONJSA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593279552 1286063159 /nfs/dbraw/zinc/06/31/59/1286063159.db2.gz QIYGELJLQDYMAR-PWSUYJOCSA-N -2 3 369.378 0.928 20 0 FCADHL O=C([O-])c1coc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001593280865 1286063404 /nfs/dbraw/zinc/06/34/04/1286063404.db2.gz BXNGYKDDQTTXBP-UHFFFAOYSA-N -2 3 367.318 0.776 20 0 FCADHL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593279366 1286063456 /nfs/dbraw/zinc/06/34/56/1286063456.db2.gz HPPLAXCHFUCLMP-HTQZYQBOSA-N -2 3 357.417 0.707 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001593372982 1286094883 /nfs/dbraw/zinc/09/48/83/1286094883.db2.gz WQKYQZBQFYZNOZ-NSHDSACASA-N -2 3 366.385 0.937 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001593372982 1286094891 /nfs/dbraw/zinc/09/48/91/1286094891.db2.gz WQKYQZBQFYZNOZ-NSHDSACASA-N -2 3 366.385 0.937 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001593381344 1286100218 /nfs/dbraw/zinc/10/02/18/1286100218.db2.gz INOYZSPUADYUDO-GOSISDBHSA-N -2 3 364.365 0.735 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001593381344 1286100224 /nfs/dbraw/zinc/10/02/24/1286100224.db2.gz INOYZSPUADYUDO-GOSISDBHSA-N -2 3 364.365 0.735 20 0 FCADHL O=C([N-]OCCN1CCCC1=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001593392259 1286112114 /nfs/dbraw/zinc/11/21/14/1286112114.db2.gz SPUVTMFEMODEJJ-UHFFFAOYSA-N -2 3 374.376 0.708 20 0 FCADHL O=C([N-]OCCN1CCCC1=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001593392259 1286112119 /nfs/dbraw/zinc/11/21/19/1286112119.db2.gz SPUVTMFEMODEJJ-UHFFFAOYSA-N -2 3 374.376 0.708 20 0 FCADHL CNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[n-]n2c1nccc2=O ZINC001609291711 1289059604 /nfs/dbraw/zinc/05/96/04/1289059604.db2.gz WUJWOWWHRARMIZ-UHFFFAOYSA-N -2 3 351.330 0.497 20 0 FCADHL COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609292737 1289060258 /nfs/dbraw/zinc/06/02/58/1289060258.db2.gz VGSXOQXSXUGLGR-BQBZGAKWSA-N -2 3 373.416 0.185 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2)n1 ZINC001600064813 1286434842 /nfs/dbraw/zinc/43/48/42/1286434842.db2.gz GHFOSMCCCNVPRH-UTUOFQBUSA-N -2 3 350.375 0.208 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cc(C(=O)[O-])ccn3)CC2)n1 ZINC001600064233 1286435668 /nfs/dbraw/zinc/43/56/68/1286435668.db2.gz GMUWUYSMJUOHOK-UHFFFAOYSA-N -2 3 357.370 0.983 20 0 FCADHL Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)n(C)n1 ZINC001600239633 1286458358 /nfs/dbraw/zinc/45/83/58/1286458358.db2.gz AMAAMMBBXXBHNS-NSHDSACASA-N -2 3 368.415 0.967 20 0 FCADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCOCC2)oc1C(=O)[O-] ZINC001600297949 1286471524 /nfs/dbraw/zinc/47/15/24/1286471524.db2.gz VKVGBFGHUPSBLJ-JTQLQIEISA-N -3 3 361.372 0.834 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1C(=O)[O-] ZINC001600673630 1286524653 /nfs/dbraw/zinc/52/46/53/1286524653.db2.gz SADUIOVECRQZCK-BBBLOLIVSA-N -2 3 360.436 0.192 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2ccc(S(C)(=O)=O)cc2)c1C(=O)[O-] ZINC001600673503 1286524775 /nfs/dbraw/zinc/52/47/75/1286524775.db2.gz HBJYEIZNRFVZFW-UHFFFAOYSA-N -2 3 373.412 0.298 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@H](C)C2)c1C(=O)[O-] ZINC001600673631 1286525037 /nfs/dbraw/zinc/52/50/37/1286525037.db2.gz LBVXHJMURQFUSX-SECBINFHSA-N -2 3 358.420 0.343 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccccc2)c1C(=O)[O-] ZINC001600673461 1286525155 /nfs/dbraw/zinc/52/51/55/1286525155.db2.gz QVTUXCGCWYMPGD-LRDDRELGSA-N -2 3 365.411 0.861 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1C(=O)[O-] ZINC001600673454 1286525342 /nfs/dbraw/zinc/52/53/42/1286525342.db2.gz QTUPNPUEIVFCTN-FZMZJTMJSA-N -2 3 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-2 3 355.362 0.414 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001609389347 1289133512 /nfs/dbraw/zinc/13/35/12/1289133512.db2.gz CHQUMVLIPQPEQQ-UHFFFAOYSA-N -2 3 355.362 0.414 20 0 FCADHL COC(=O)CCS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001604938565 1287817594 /nfs/dbraw/zinc/81/75/94/1287817594.db2.gz PPKFIEGVDUWBLD-UHFFFAOYSA-N -2 3 357.396 0.123 20 0 FCADHL CO[C@@](C)(C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001604995846 1287831109 /nfs/dbraw/zinc/83/11/09/1287831109.db2.gz QMZIUYNVSBMDRR-OAHLLOKOSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@@](C)(C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001604995846 1287831116 /nfs/dbraw/zinc/83/11/16/1287831116.db2.gz QMZIUYNVSBMDRR-OAHLLOKOSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001605005867 1287833622 /nfs/dbraw/zinc/83/36/22/1287833622.db2.gz RYPCQRSCMRXVJF-WDEREUQCSA-N -2 3 367.431 0.526 20 0 FCADHL CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605005867 1287833626 /nfs/dbraw/zinc/83/36/26/1287833626.db2.gz RYPCQRSCMRXVJF-WDEREUQCSA-N -2 3 367.431 0.526 20 0 FCADHL COCCn1cc([N-]S(=O)(=O)c2c(C)cccc2-c2nnn[n-]2)cn1 ZINC001605125181 1287891426 /nfs/dbraw/zinc/89/14/26/1287891426.db2.gz GMGMOJBNCOHHJV-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COCCn1cc([N-]S(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)cn1 ZINC001605125181 1287891433 /nfs/dbraw/zinc/89/14/33/1287891433.db2.gz GMGMOJBNCOHHJV-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605183140 1287903834 /nfs/dbraw/zinc/90/38/34/1287903834.db2.gz WJKUSZMFNOLVBF-MNOVXSKESA-N -2 3 361.358 0.624 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605183140 1287903836 /nfs/dbraw/zinc/90/38/36/1287903836.db2.gz WJKUSZMFNOLVBF-MNOVXSKESA-N -2 3 361.358 0.624 20 0 FCADHL CSc1nc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)cc(=O)[n-]1 ZINC001605392479 1287948844 /nfs/dbraw/zinc/94/88/44/1287948844.db2.gz HEXJAWZXPUZDJG-UHFFFAOYSA-N -2 3 359.375 0.801 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001609416797 1289143574 /nfs/dbraw/zinc/14/35/74/1289143574.db2.gz LNZIUHDRQGXIOZ-SKDRFNHKSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001609416797 1289143577 /nfs/dbraw/zinc/14/35/77/1289143577.db2.gz LNZIUHDRQGXIOZ-SKDRFNHKSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001605546077 1287994696 /nfs/dbraw/zinc/99/46/96/1287994696.db2.gz YRRXLNXICBDURP-NTZNESFSSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001605546077 1287994701 /nfs/dbraw/zinc/99/47/01/1287994701.db2.gz YRRXLNXICBDURP-NTZNESFSSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC001605546774 1287995809 /nfs/dbraw/zinc/99/58/09/1287995809.db2.gz YRQZRUIYOSOKMS-NSHDSACASA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC001605546774 1287995813 /nfs/dbraw/zinc/99/58/13/1287995813.db2.gz YRQZRUIYOSOKMS-NSHDSACASA-N -2 3 353.404 0.953 20 0 FCADHL CCOCCS(=O)(=O)[N-]CC(=O)N(CC)c1ncc(C(=O)[O-])s1 ZINC001605639656 1288043451 /nfs/dbraw/zinc/04/34/51/1288043451.db2.gz YVLGQVPRYJMIHE-UHFFFAOYSA-N -2 3 365.433 0.150 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)CC(C)(C)C(=O)[O-] ZINC001605801534 1288089684 /nfs/dbraw/zinc/08/96/84/1288089684.db2.gz DADCCEMJXKRMQY-UHFFFAOYSA-N -2 3 353.404 0.906 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)CC(C)(C)C(=O)[O-] ZINC001605801534 1288089691 /nfs/dbraw/zinc/08/96/91/1288089691.db2.gz DADCCEMJXKRMQY-UHFFFAOYSA-N -2 3 353.404 0.906 20 0 FCADHL Cc1nc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ccc1-c1nnn[n-]1 ZINC001606024556 1288132787 /nfs/dbraw/zinc/13/27/87/1288132787.db2.gz OVZLOVHQASVJMW-SECBINFHSA-N -2 3 355.362 0.414 20 0 FCADHL Cc1nc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ccc1-c1nn[n-]n1 ZINC001606024556 1288132789 /nfs/dbraw/zinc/13/27/89/1288132789.db2.gz OVZLOVHQASVJMW-SECBINFHSA-N -2 3 355.362 0.414 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cccc3c2C(=O)NC3)cc1-c1nnn[n-]1 ZINC001606091764 1288161099 /nfs/dbraw/zinc/16/10/99/1288161099.db2.gz QOWLSEAEWDSFAR-UHFFFAOYSA-N -2 3 371.382 0.614 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cccc3c2C(=O)NC3)cc1-c1nn[n-]n1 ZINC001606091764 1288161105 /nfs/dbraw/zinc/16/11/05/1288161105.db2.gz QOWLSEAEWDSFAR-UHFFFAOYSA-N -2 3 371.382 0.614 20 0 FCADHL Cc1oc(NC(=O)[C@H](C)N(C)Cc2n[n-]c(=O)o2)c(-c2nnn[n-]2)c1C ZINC001606174010 1288197727 /nfs/dbraw/zinc/19/77/27/1288197727.db2.gz QKKGJFPCUQFNGB-ZETCQYMHSA-N -2 3 362.350 0.624 20 0 FCADHL Cc1oc(NC(=O)[C@H](C)N(C)Cc2n[n-]c(=O)o2)c(-c2nn[n-]n2)c1C ZINC001606174010 1288197730 /nfs/dbraw/zinc/19/77/30/1288197730.db2.gz QKKGJFPCUQFNGB-ZETCQYMHSA-N -2 3 362.350 0.624 20 0 FCADHL CNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606261644 1288240927 /nfs/dbraw/zinc/24/09/27/1288240927.db2.gz UQXRAFCTAOGCEK-GFCCVEGCSA-N -2 3 352.368 0.613 20 0 FCADHL CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606261682 1288241361 /nfs/dbraw/zinc/24/13/61/1288241361.db2.gz VVXMKIIZCJZFGJ-LBPRGKRZSA-N -2 3 352.368 0.613 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)c(C)o1 ZINC001606303786 1288259663 /nfs/dbraw/zinc/25/96/63/1288259663.db2.gz XUNLQIXBQALRLC-CYBMUJFWSA-N -2 3 368.367 0.757 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)c(C)o1 ZINC001606303787 1288259677 /nfs/dbraw/zinc/25/96/77/1288259677.db2.gz XUNLQIXBQALRLC-ZDUSSCGKSA-N -2 3 368.367 0.757 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CCSCC1 ZINC001606354807 1288270822 /nfs/dbraw/zinc/27/08/22/1288270822.db2.gz VWWVKHGDCRZADZ-GHMZBOCLSA-N -2 3 365.473 0.988 20 0 FCADHL COC(=O)C1(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])c2ccccn2)CCC1 ZINC001606356219 1288271397 /nfs/dbraw/zinc/27/13/97/1288271397.db2.gz BDMOZGNXXNGXSJ-CQSZACIVSA-N -2 3 356.400 0.787 20 0 FCADHL COC(=O)[C@@H]1[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1(F)F ZINC001606513814 1288354630 /nfs/dbraw/zinc/35/46/30/1288354630.db2.gz FPMWNHMATHOUKP-XPUUQOCRSA-N -2 3 355.340 0.779 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCOC2)c1 ZINC001606593555 1288399084 /nfs/dbraw/zinc/39/90/84/1288399084.db2.gz WEYAYHWJVRPSQK-CQSZACIVSA-N -2 3 361.347 0.524 20 0 FCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CC(CO)C1 ZINC001606593570 1288399222 /nfs/dbraw/zinc/39/92/22/1288399222.db2.gz WZZKOELWSIWOJJ-UHFFFAOYSA-N -2 3 361.347 0.116 20 0 FCADHL O=C(Cn1cnc(-c2nnn[n-]2)n1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC001606621103 1288413463 /nfs/dbraw/zinc/41/34/63/1288413463.db2.gz XSGAUCCSKYZVNF-UHFFFAOYSA-N -2 3 364.272 0.016 20 0 FCADHL O=C(Cn1cnc(-c2nn[n-]n2)n1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC001606621103 1288413467 /nfs/dbraw/zinc/41/34/67/1288413467.db2.gz XSGAUCCSKYZVNF-UHFFFAOYSA-N -2 3 364.272 0.016 20 0 FCADHL O=C([N-]C[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1)C(F)(F)F ZINC001606730610 1288472690 /nfs/dbraw/zinc/47/26/90/1288472690.db2.gz XRTVRSCFCQRNEX-MRVPVSSYSA-N -2 3 356.312 0.552 20 0 FCADHL O=C(NCC=CCNc1ncc(-c2nnn[n-]2)cc1F)c1ncccc1[O-] ZINC001606753668 1288492286 /nfs/dbraw/zinc/49/22/86/1288492286.db2.gz RGUBAPSVXSYEOO-OWOJBTEDSA-N -2 3 370.348 0.900 20 0 FCADHL O=C(NCC=CCNc1ncc(-c2nn[n-]n2)cc1F)c1ncccc1[O-] ZINC001606753668 1288492289 /nfs/dbraw/zinc/49/22/89/1288492289.db2.gz RGUBAPSVXSYEOO-OWOJBTEDSA-N -2 3 370.348 0.900 20 0 FCADHL O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606863753 1288541913 /nfs/dbraw/zinc/54/19/13/1288541913.db2.gz OSUJOMGZTGKMNB-SECBINFHSA-N -2 3 371.806 0.759 20 0 FCADHL O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606863753 1288541920 /nfs/dbraw/zinc/54/19/20/1288541920.db2.gz OSUJOMGZTGKMNB-SECBINFHSA-N -2 3 371.806 0.759 20 0 FCADHL O=C([O-])CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CCC1CC1 ZINC001606958020 1288574283 /nfs/dbraw/zinc/57/42/83/1288574283.db2.gz ODVUBYAEQWVTSM-UHFFFAOYSA-N -2 3 365.415 0.883 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)C2 ZINC001606960048 1288575435 /nfs/dbraw/zinc/57/54/35/1288575435.db2.gz OULCGEYBSXXXOU-HZMBPMFUSA-N -2 3 367.362 0.242 20 0 FCADHL O=C([O-])C[C@@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001606961847 1288577417 /nfs/dbraw/zinc/57/74/17/1288577417.db2.gz ZDVNNZCNJVPGIF-NSHDSACASA-N -2 3 351.388 0.493 20 0 FCADHL O=S(=O)([N-]c1nnc[nH]1)c1cccc(Br)c1-c1nnn[n-]1 ZINC001607069330 1288641315 /nfs/dbraw/zinc/64/13/15/1288641315.db2.gz AONSUXAWUGDZTR-UHFFFAOYSA-N -2 3 371.180 0.548 20 0 FCADHL COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001607338493 1288699350 /nfs/dbraw/zinc/69/93/50/1288699350.db2.gz KVTQPYMWVFNCSQ-VIFPVBQESA-N -2 3 358.397 0.862 20 0 FCADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)COCc1ocnc1C(=O)[O-] ZINC001607375937 1288701823 /nfs/dbraw/zinc/70/18/23/1288701823.db2.gz HAKUYMRZRGZXDF-UHFFFAOYSA-N -2 3 369.355 0.900 20 0 FCADHL CS(=O)(=O)c1ccccc1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001607383913 1288703521 /nfs/dbraw/zinc/70/35/21/1288703521.db2.gz POGJRVUYLIKNAR-UHFFFAOYSA-N -2 3 373.408 0.902 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c1C(=O)[O-] ZINC001607938620 1288750129 /nfs/dbraw/zinc/75/01/29/1288750129.db2.gz SCMKFINLEIMUFU-YGUOUDRMSA-N -2 3 365.411 0.787 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC(=O)NCc2ccccc2)c1C(=O)[O-] ZINC001607940000 1288750200 /nfs/dbraw/zinc/75/02/00/1288750200.db2.gz JEPGFQHUMSWFMD-UHFFFAOYSA-N -2 3 366.399 0.401 20 0 FCADHL Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cn1 ZINC001608106543 1288768929 /nfs/dbraw/zinc/76/89/29/1288768929.db2.gz WKHAOSANUGKZCU-SECBINFHSA-N -2 3 361.326 0.408 20 0 FCADHL Cn1cc([C@@H]2C[C@@H]([N-]S(=O)(=O)c3occc3C(=O)[O-])CCO2)cn1 ZINC001608108072 1288769816 /nfs/dbraw/zinc/76/98/16/1288769816.db2.gz WBHUCYWIPCUICX-JQWIXIFHSA-N -2 3 355.372 0.910 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C2CC2)c(Br)n1 ZINC001608121871 1288775223 /nfs/dbraw/zinc/77/52/23/1288775223.db2.gz IDTWDWWYRZTIEH-SNVBAGLBSA-N -2 3 352.210 0.714 20 0 FCADHL Cn1nccc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001608162690 1288784411 /nfs/dbraw/zinc/78/44/11/1288784411.db2.gz KZITWCFXYLJRDT-CMPLNLGQSA-N -2 3 355.372 0.910 20 0 FCADHL NC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Cc1ccc(F)cc1 ZINC001608226694 1288794148 /nfs/dbraw/zinc/79/41/48/1288794148.db2.gz DEOBMSWJNZKKDB-SNVBAGLBSA-N -2 3 370.358 0.739 20 0 FCADHL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC001608372904 1288832287 /nfs/dbraw/zinc/83/22/87/1288832287.db2.gz QPYGWVPCRCBXGM-HHSDFAELSA-N -2 3 372.175 0.081 20 0 FCADHL O=C([O-])c1sccc1NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001608476260 1288847395 /nfs/dbraw/zinc/84/73/95/1288847395.db2.gz FLRHLVRIOQLVPF-UHFFFAOYSA-N -2 3 363.277 0.838 20 0 FCADHL CC(=O)CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609061654 1288892618 /nfs/dbraw/zinc/89/26/18/1288892618.db2.gz PGRBNFBNBMBSAI-UHFFFAOYSA-N -2 3 366.403 0.462 20 0 FCADHL CC(=O)CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609061654 1288892620 /nfs/dbraw/zinc/89/26/20/1288892620.db2.gz PGRBNFBNBMBSAI-UHFFFAOYSA-N -2 3 366.403 0.462 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609142781 1288944774 /nfs/dbraw/zinc/94/47/74/1288944774.db2.gz LVTHNJKLRXVXLC-SMDDNHRTSA-N -2 3 351.388 0.788 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609142781 1288944781 /nfs/dbraw/zinc/94/47/81/1288944781.db2.gz LVTHNJKLRXVXLC-SMDDNHRTSA-N -2 3 351.388 0.788 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC001609154319 1288953121 /nfs/dbraw/zinc/95/31/21/1288953121.db2.gz CNSHOOPBRMQKCO-GHMZBOCLSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC001609154319 1288953123 /nfs/dbraw/zinc/95/31/23/1288953123.db2.gz CNSHOOPBRMQKCO-GHMZBOCLSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1CCCN1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001609167424 1288961643 /nfs/dbraw/zinc/96/16/43/1288961643.db2.gz XPSHOYJXWNQYKM-VIFPVBQESA-N -2 3 354.440 0.959 20 0 FCADHL C[C@H]1CCCN1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001609167424 1288961645 /nfs/dbraw/zinc/96/16/45/1288961645.db2.gz XPSHOYJXWNQYKM-VIFPVBQESA-N -2 3 354.440 0.959 20 0 FCADHL CCC(=O)C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001609180765 1288973764 /nfs/dbraw/zinc/97/37/64/1288973764.db2.gz KDCZSCDOZWOODG-JTQLQIEISA-N -2 3 371.350 0.107 20 0 FCADHL CCC(CC)(CNc1cccc(S(N)(=O)=O)c1-c1nnn[n-]1)C(=O)[O-] ZINC001609188845 1288976363 /nfs/dbraw/zinc/97/63/63/1288976363.db2.gz ISPPRWYWZUWDTM-UHFFFAOYSA-N -2 3 368.419 0.817 20 0 FCADHL CCC(CC)(CNc1cccc(S(N)(=O)=O)c1-c1nn[n-]n1)C(=O)[O-] ZINC001609188845 1288976367 /nfs/dbraw/zinc/97/63/67/1288976367.db2.gz ISPPRWYWZUWDTM-UHFFFAOYSA-N -2 3 368.419 0.817 20 0 FCADHL CCCCCCOCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609208752 1288988493 /nfs/dbraw/zinc/98/84/93/1288988493.db2.gz OXBRAMDPFQEADF-UHFFFAOYSA-N -2 3 368.419 0.664 20 0 FCADHL CCCCCCOCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609208752 1288988496 /nfs/dbraw/zinc/98/84/96/1288988496.db2.gz OXBRAMDPFQEADF-UHFFFAOYSA-N -2 3 368.419 0.664 20 0 FCADHL O=C(C=Cc1ccc[nH]1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609517768 1289191051 /nfs/dbraw/zinc/19/10/51/1289191051.db2.gz MVACBQMPIFQAEH-VOTSOKGWSA-N -2 3 358.383 0.854 20 0 FCADHL O=C(C=Cc1ccc[nH]1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609517768 1289191056 /nfs/dbraw/zinc/19/10/56/1289191056.db2.gz MVACBQMPIFQAEH-VOTSOKGWSA-N -2 3 358.383 0.854 20 0 FCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001609531864 1289200661 /nfs/dbraw/zinc/20/06/61/1289200661.db2.gz WZOFTCBHCMTLGT-LLVKDONJSA-N -2 3 370.373 0.475 20 0 FCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001609531864 1289200668 /nfs/dbraw/zinc/20/06/68/1289200668.db2.gz WZOFTCBHCMTLGT-LLVKDONJSA-N -2 3 370.373 0.475 20 0 FCADHL O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001609552078 1289219313 /nfs/dbraw/zinc/21/93/13/1289219313.db2.gz WYOFTLJCYQLZQF-UHFFFAOYSA-N -2 3 368.279 0.613 20 0 FCADHL O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001609552078 1289219320 /nfs/dbraw/zinc/21/93/20/1289219320.db2.gz WYOFTLJCYQLZQF-UHFFFAOYSA-N -2 3 368.279 0.613 20 0 FCADHL O=C([N-]O[C@@H]1CCCCO1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC001609560041 1289224916 /nfs/dbraw/zinc/22/49/16/1289224916.db2.gz QYHISVLHSPBXBH-LLVKDONJSA-N -2 3 350.310 0.519 20 0 FCADHL O=C([N-]O[C@@H]1CCCCO1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC001609560041 1289224923 /nfs/dbraw/zinc/22/49/23/1289224923.db2.gz QYHISVLHSPBXBH-LLVKDONJSA-N -2 3 350.310 0.519 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@H]1CC2CCC1CC2 ZINC001609560637 1289225118 /nfs/dbraw/zinc/22/51/18/1289225118.db2.gz ZNRFAIOQBGARLH-ZPPKWKGLSA-N -2 3 362.415 0.893 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@H]1CC2CCC1CC2 ZINC001609560637 1289225126 /nfs/dbraw/zinc/22/51/26/1289225126.db2.gz ZNRFAIOQBGARLH-ZPPKWKGLSA-N -2 3 362.415 0.893 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cnc2n1CCCC2 ZINC001609560401 1289225857 /nfs/dbraw/zinc/22/58/57/1289225857.db2.gz MKWUBGONBBRREX-UHFFFAOYSA-N -2 3 373.398 0.518 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cnc2n1CCCC2 ZINC001609560401 1289225865 /nfs/dbraw/zinc/22/58/65/1289225865.db2.gz MKWUBGONBBRREX-UHFFFAOYSA-N -2 3 373.398 0.518 20 0 FCADHL O=C([O-])CN(C1CCCC1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609571899 1289233805 /nfs/dbraw/zinc/23/38/05/1289233805.db2.gz GNZRQLYUXSKAEX-UHFFFAOYSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])CN(C1CCCC1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609571899 1289233813 /nfs/dbraw/zinc/23/38/13/1289233813.db2.gz GNZRQLYUXSKAEX-UHFFFAOYSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])CC[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609572343 1289234716 /nfs/dbraw/zinc/23/47/16/1289234716.db2.gz ROWHWICJBAGVRH-LLVKDONJSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])CC[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609572343 1289234722 /nfs/dbraw/zinc/23/47/22/1289234722.db2.gz ROWHWICJBAGVRH-LLVKDONJSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC001609572097 1289234747 /nfs/dbraw/zinc/23/47/47/1289234747.db2.gz YXNPKRQPGJDBJH-GHMZBOCLSA-N -2 3 351.750 0.769 20 0 FCADHL O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC001609572097 1289234753 /nfs/dbraw/zinc/23/47/53/1289234753.db2.gz YXNPKRQPGJDBJH-GHMZBOCLSA-N -2 3 351.750 0.769 20 0 FCADHL CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)[C@H]2C1 ZINC001609584141 1289239744 /nfs/dbraw/zinc/23/97/44/1289239744.db2.gz MDIPWTRSTMOPCN-SDDRHHMPSA-N -2 3 356.400 0.903 20 0 FCADHL O=S(=O)([N-]c1cncc(N2CCCC2)n1)c1cncc(-c2nnn[n-]2)c1 ZINC001609596619 1289253370 /nfs/dbraw/zinc/25/33/70/1289253370.db2.gz YFJMCZZLVXVKHK-UHFFFAOYSA-N -2 3 373.402 0.453 20 0 FCADHL O=S(=O)([N-]c1cncc(N2CCCC2)n1)c1cncc(-c2nn[n-]n2)c1 ZINC001609596619 1289253376 /nfs/dbraw/zinc/25/33/76/1289253376.db2.gz YFJMCZZLVXVKHK-UHFFFAOYSA-N -2 3 373.402 0.453 20 0 FCADHL O=c1ccc2cc(S(=O)(=O)[N-]c3cc(-c4nnn[n-]4)ccn3)ccc2[nH]1 ZINC001609605401 1289259325 /nfs/dbraw/zinc/25/93/25/1289259325.db2.gz ZOSUAGCQOLFSGW-UHFFFAOYSA-N -2 3 369.366 0.904 20 0 FCADHL O=c1ccc2cc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccn3)ccc2[nH]1 ZINC001609605401 1289259328 /nfs/dbraw/zinc/25/93/28/1289259328.db2.gz ZOSUAGCQOLFSGW-UHFFFAOYSA-N -2 3 369.366 0.904 20 0 FCADHL O=c1[nH]c2cccc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)c2o1 ZINC001609604589 1289260593 /nfs/dbraw/zinc/26/05/93/1289260593.db2.gz YOHDMXUBNXLMFJ-UHFFFAOYSA-N -2 3 359.327 0.909 20 0 FCADHL O=c1[nH]c2cccc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)c2o1 ZINC001609604589 1289260598 /nfs/dbraw/zinc/26/05/98/1289260598.db2.gz YOHDMXUBNXLMFJ-UHFFFAOYSA-N -2 3 359.327 0.909 20 0 FCADHL CC(C)(C)[C@H](O)C[C@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609654303 1289274258 /nfs/dbraw/zinc/27/42/58/1289274258.db2.gz QCTIXTPJBYRRQC-HTQZYQBOSA-N -2 3 352.434 0.278 20 0 FCADHL C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609796792 1289300197 /nfs/dbraw/zinc/30/01/97/1289300197.db2.gz NIYKEKWXCDWAGB-QMMMGPOBSA-N -2 3 364.333 0.966 20 0 FCADHL C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609796792 1289300206 /nfs/dbraw/zinc/30/02/06/1289300206.db2.gz NIYKEKWXCDWAGB-QMMMGPOBSA-N -2 3 364.333 0.966 20 0 FCADHL CC[C@@H](C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC001609904963 1289326308 /nfs/dbraw/zinc/32/63/08/1289326308.db2.gz OMJZDOSWASTBKG-KCJUWKMLSA-N -2 3 361.420 0.575 20 0 FCADHL COC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC001610246456 1289437784 /nfs/dbraw/zinc/43/77/84/1289437784.db2.gz NHWBWSUAWARYNP-ZDUSSCGKSA-N -2 3 360.370 0.289 20 0 FCADHL Cn1cc(S(=O)(=O)NC2CCN(CCCC(=O)[O-])CC2)cc1C(=O)[O-] ZINC001610606714 1289526140 /nfs/dbraw/zinc/52/61/40/1289526140.db2.gz OEZJCCKNLBYQKG-UHFFFAOYSA-N -2 3 373.431 0.331 20 0 FCADHL C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000747508964 836246146 /nfs/dbraw/zinc/24/61/46/836246146.db2.gz IELJXCVVLFBIEQ-CBAPKCEASA-N -2 3 350.393 0.658 20 0 FCADHL CC(C)(C)OC(=O)N[C@H](C(=O)NCCCCP(=O)([O-])[O-])C(C)(C)O ZINC001146279136 849554511 /nfs/dbraw/zinc/55/45/11/849554511.db2.gz BXGKDYFFYPJEEY-SNVBAGLBSA-N -2 3 368.367 0.725 20 0 FCADHL COc1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cc1C(=O)[O-] ZINC001185326629 851352530 /nfs/dbraw/zinc/35/25/30/851352530.db2.gz QQQOHSSOVNBKHX-UHFFFAOYSA-N -3 3 367.316 0.630 20 0 FCADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC001185565690 851361814 /nfs/dbraw/zinc/36/18/14/851361814.db2.gz BNUVWKDQTUXJEM-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC001185565690 851361821 /nfs/dbraw/zinc/36/18/21/851361821.db2.gz BNUVWKDQTUXJEM-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL Cn1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c2cccnc21 ZINC001185567269 851363116 /nfs/dbraw/zinc/36/31/16/851363116.db2.gz XZOLWKGZGFKCBN-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL Cn1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c2cccnc21 ZINC001185567269 851363123 /nfs/dbraw/zinc/36/31/23/851363123.db2.gz XZOLWKGZGFKCBN-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL Cn1ncc2c1ncnc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185567255 851364303 /nfs/dbraw/zinc/36/43/03/851364303.db2.gz XBUVWVILIZKPCL-UHFFFAOYSA-N -2 3 357.359 0.344 20 0 FCADHL Cn1ncc2c1ncnc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567255 851364313 /nfs/dbraw/zinc/36/43/13/851364313.db2.gz XBUVWVILIZKPCL-UHFFFAOYSA-N -2 3 357.359 0.344 20 0 FCADHL O=C(NC[C@@H](O)CO)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193282768 852402545 /nfs/dbraw/zinc/40/25/45/852402545.db2.gz CKHIEDKUGMKOHC-GFCCVEGCSA-N -2 3 366.395 0.276 20 0 FCADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(N)=O ZINC001195254918 852732648 /nfs/dbraw/zinc/73/26/48/852732648.db2.gz PQJKCTWWJFTORS-SNVBAGLBSA-N -2 3 350.343 0.841 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(N2CCOCC2=O)cc1 ZINC001196279827 852929833 /nfs/dbraw/zinc/92/98/33/852929833.db2.gz VQHHNYUGLRZYEV-UHFFFAOYSA-N -2 3 356.315 0.738 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)c([O-])c2)ccc1O ZINC001197245000 853089238 /nfs/dbraw/zinc/08/92/38/853089238.db2.gz JNNHQJYNTCFLDT-UHFFFAOYSA-N -2 3 366.351 0.784 20 0 FCADHL COc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])c(Br)c1 ZINC001198087387 853215873 /nfs/dbraw/zinc/21/58/73/853215873.db2.gz RBYDIDGXQQWQJY-UHFFFAOYSA-N -2 3 374.149 0.914 20 0 FCADHL COC(=O)CCCS(=O)(=O)[N-]c1ccc(OC)cc1S(=O)(=O)[O-] ZINC001201915347 853559701 /nfs/dbraw/zinc/55/97/01/853559701.db2.gz KAJCNZLHCRFCND-UHFFFAOYSA-N -2 3 367.401 0.637 20 0 FCADHL CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](COc1nc(=O)[n-]c(=O)[n-]1)O2 ZINC001227568604 857164947 /nfs/dbraw/zinc/16/49/47/857164947.db2.gz PGNXXLQUEINJGD-VIFPVBQESA-N -2 3 354.363 0.830 20 0 FCADHL CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)CCO2 ZINC001227569286 857166107 /nfs/dbraw/zinc/16/61/07/857166107.db2.gz YEIHVJAZFQFJNK-SECBINFHSA-N -2 3 354.363 0.830 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2SC(=O)[N-]C2=O)c(F)cc1Cl ZINC001259221319 858249405 /nfs/dbraw/zinc/24/94/05/858249405.db2.gz BAOZBIBWTOOQMI-QMMMGPOBSA-N -3 3 368.751 0.765 20 0 FCADHL CC1(C)C(=O)NC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259226491 858250146 /nfs/dbraw/zinc/25/01/46/858250146.db2.gz UYTRODIMXFXGGN-SNVBAGLBSA-N -2 3 364.782 0.980 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CNC(=O)O2)c(F)cc1Cl ZINC001259226679 858250474 /nfs/dbraw/zinc/25/04/74/858250474.db2.gz XZWBHVDDPIXQMW-RXMQYKEDSA-N -2 3 352.727 0.564 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001299930077 866199412 /nfs/dbraw/zinc/19/94/12/866199412.db2.gz UKXMIQDYAMNMKT-UHFFFAOYSA-N -2 3 366.808 0.015 20 0 FCADHL Cc1cc(C)n2ncc(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)c2n1 ZINC001317911437 867576171 /nfs/dbraw/zinc/57/61/71/867576171.db2.gz HPRPFJPRXDYQGX-UHFFFAOYSA-N -2 3 367.416 0.821 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@H](Cn2cc(Cl)cn2)C(=O)[O-])nc1Cl ZINC001320741158 868259427 /nfs/dbraw/zinc/25/94/27/868259427.db2.gz AOFXVVLCOWHHDW-ZETCQYMHSA-N -2 3 368.202 0.355 20 0 FCADHL C[C@@H](CC(=O)N[C@@H](C)CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001322714866 868915880 /nfs/dbraw/zinc/91/58/80/868915880.db2.gz LUEJKPVBSIMKHK-IUCAKERBSA-N -2 3 363.823 0.771 20 0 FCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)c[n-]1 ZINC001329208394 871886213 /nfs/dbraw/zinc/88/62/13/871886213.db2.gz WBBZLDUZXPHGLE-UHFFFAOYSA-N -2 3 350.360 0.669 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001329699053 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COC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826148710 947477506 /nfs/dbraw/zinc/47/75/06/947477506.db2.gz OYCFPYUUPSDYDH-QFYYESIMSA-N -2 3 363.374 0.630 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc(=O)[nH]1 ZINC000826260630 947752500 /nfs/dbraw/zinc/75/25/00/947752500.db2.gz XWLCLJDATMLXLF-UHFFFAOYSA-N -2 3 374.382 0.703 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc(=O)[nH]1 ZINC000826260630 947752512 /nfs/dbraw/zinc/75/25/12/947752512.db2.gz XWLCLJDATMLXLF-UHFFFAOYSA-N -2 3 374.382 0.703 20 0 FCADHL O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccccc3-c3nn[n-]n3)cc21 ZINC000826483068 948397699 /nfs/dbraw/zinc/39/76/99/948397699.db2.gz ZWURCWAUDHTVMD-UHFFFAOYSA-N -2 3 370.394 0.953 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)n1 ZINC001574471864 949538620 /nfs/dbraw/zinc/53/86/20/949538620.db2.gz NXRDBNWFQWFVQZ-UHFFFAOYSA-N -2 3 355.409 0.438 20 0 FCADHL C[S@@](=O)C1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000380122514 971677940 /nfs/dbraw/zinc/67/79/40/971677940.db2.gz SMAMIUKGVOGYCD-OAQYLSRUSA-N -2 3 353.368 0.852 20 0 FCADHL C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ncccc1[O-] ZINC001575933273 950842739 /nfs/dbraw/zinc/84/27/39/950842739.db2.gz NSZLYXJRRVKCDO-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncccc1[O-] ZINC001575933273 950842761 /nfs/dbraw/zinc/84/27/61/950842761.db2.gz NSZLYXJRRVKCDO-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H](OC)C(=O)[O-])c2)[n-]1 ZINC001591279124 951112912 /nfs/dbraw/zinc/11/29/12/951112912.db2.gz IDJVTCBQMFAKCX-NSHDSACASA-N -2 3 362.342 0.364 20 0 FCADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H](OC)C(=O)[O-])c2)n[n-]1 ZINC001591279124 951112919 /nfs/dbraw/zinc/11/29/19/951112919.db2.gz IDJVTCBQMFAKCX-NSHDSACASA-N -2 3 362.342 0.364 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571004742 951156441 /nfs/dbraw/zinc/15/64/41/951156441.db2.gz QNKZOCWSHAXKGK-UHFFFAOYSA-N -2 3 363.355 0.725 20 0 FCADHL CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1nc(-c2nnn[n-]2)cs1 ZINC001571020526 951389005 /nfs/dbraw/zinc/38/90/05/951389005.db2.gz LWNFNMGLNSRAQR-UHFFFAOYSA-N -2 3 365.466 0.165 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571033186 951567476 /nfs/dbraw/zinc/56/74/76/951567476.db2.gz XAHURPJGJRBXPD-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571033186 951567486 /nfs/dbraw/zinc/56/74/86/951567486.db2.gz XAHURPJGJRBXPD-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575067135 951604477 /nfs/dbraw/zinc/60/44/77/951604477.db2.gz IQUIIKKUQLMROA-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575067135 951604489 /nfs/dbraw/zinc/60/44/89/951604489.db2.gz IQUIIKKUQLMROA-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1cncc(-c2nnn[n-]2)n1 ZINC001575067446 951612512 /nfs/dbraw/zinc/61/25/12/951612512.db2.gz MEIQTNKATKFZLS-SECBINFHSA-N -2 3 355.362 0.235 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1cncc(-c2nn[n-]n2)n1 ZINC001575067446 951612519 /nfs/dbraw/zinc/61/25/19/951612519.db2.gz MEIQTNKATKFZLS-SECBINFHSA-N -2 3 355.362 0.235 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1nccnc1-c1nnn[n-]1 ZINC001575068268 951631593 /nfs/dbraw/zinc/63/15/93/951631593.db2.gz YYBAVTQPGOSKJT-SECBINFHSA-N -2 3 355.362 0.235 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1nccnc1-c1nn[n-]n1 ZINC001575068268 951631599 /nfs/dbraw/zinc/63/15/99/951631599.db2.gz YYBAVTQPGOSKJT-SECBINFHSA-N -2 3 355.362 0.235 20 0 FCADHL O=C([O-])COCCOCCNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001595116828 951948231 /nfs/dbraw/zinc/94/82/31/951948231.db2.gz RKGPRJJEOYZQIE-UHFFFAOYSA-N -2 3 370.308 0.654 20 0 FCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1OC ZINC001593355184 953356704 /nfs/dbraw/zinc/35/67/04/953356704.db2.gz MZSMYAXCMUIKPK-GFCCVEGCSA-N -2 3 371.371 0.625 20 0 FCADHL CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001593709454 954178620 /nfs/dbraw/zinc/17/86/20/954178620.db2.gz WISRASRCRQZUPR-DMZKTXOQSA-N -2 3 363.461 0.438 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001594888805 954494606 /nfs/dbraw/zinc/49/46/06/954494606.db2.gz IQEQRVNXCVDMMT-CDLYGTGVSA-N -2 3 374.319 0.636 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)Cc2ccccc21 ZINC001594731248 957042463 /nfs/dbraw/zinc/04/24/63/957042463.db2.gz PLOIRDOMUUPHEG-GFCCVEGCSA-N -2 3 370.369 0.913 20 0 FCADHL C[C@H]1CN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000389859373 972252301 /nfs/dbraw/zinc/25/23/01/972252301.db2.gz FMKAZCXJSMJOII-SMDDNHRTSA-N -2 3 364.427 0.907 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])cc1F ZINC001594310764 958014285 /nfs/dbraw/zinc/01/42/85/958014285.db2.gz MAMQBOQRSDZRST-UHFFFAOYSA-N -2 3 353.343 0.669 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)C3(C(=O)[O-])CCOCC3)C2)n1 ZINC001594268647 959774941 /nfs/dbraw/zinc/77/49/41/959774941.db2.gz AOJYSZQGZAMBOM-NSHDSACASA-N -2 3 350.375 0.067 20 0 FCADHL O=C([O-])COc1cccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001574737605 962858820 /nfs/dbraw/zinc/85/88/20/962858820.db2.gz NULJXFCGLYMPNJ-LBPRGKRZSA-N -2 3 358.354 0.654 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001603292196 972551855 /nfs/dbraw/zinc/55/18/55/972551855.db2.gz CVIFAUPIHPZQSK-GFCCVEGCSA-N -2 3 360.164 0.177 20 0 FCADHL O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001606056882 973171037 /nfs/dbraw/zinc/17/10/37/973171037.db2.gz CWTIMXMBEIBMJB-JTQLQIEISA-N -2 3 355.393 0.931 20 0 FCADHL CCC(CC)(CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)[O-] ZINC001603535144 973587219 /nfs/dbraw/zinc/58/72/19/973587219.db2.gz CIHFXEQNTLMEKX-NSHDSACASA-N -2 3 351.407 0.951 20 0 FCADHL C[C@@](CC(=O)[O-])(NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001592304060 977661788 /nfs/dbraw/zinc/66/17/88/977661788.db2.gz INDCZFATVOFSHK-INIZCTEOSA-N -2 3 353.342 0.777 20 0 FCADHL C[C@@](CC(=O)[O-])(NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001592304060 977661791 /nfs/dbraw/zinc/66/17/91/977661791.db2.gz INDCZFATVOFSHK-INIZCTEOSA-N -2 3 353.342 0.777 20 0 FCADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC001592716343 979216325 /nfs/dbraw/zinc/21/63/25/979216325.db2.gz QWQLZWIXMCPODI-SCSAIBSYSA-N -3 3 356.150 0.739 20 0 FCADHL C[C@](CO)([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC001592755527 979332636 /nfs/dbraw/zinc/33/26/36/979332636.db2.gz JMCQPLYOHVYTOK-SNVBAGLBSA-N -2 3 361.269 0.838 20 0 FCADHL CC[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC001595144656 979609504 /nfs/dbraw/zinc/60/95/04/979609504.db2.gz SBSLZCGIBYNLOI-SSDOTTSWSA-N -2 3 354.837 0.907 20 0 FCADHL CC[C@@H](C)[C@@H](NC(=O)COC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC001594897128 982341571 /nfs/dbraw/zinc/34/15/71/982341571.db2.gz NCOYGSYKFGKAKL-XLKFXECMSA-N -2 3 353.375 0.500 20 0 FCADHL CC[C@H](C)[C@@H](NC(=O)CSc1nc2c(cnn2C)c(=O)[n-]1)C(=O)[O-] ZINC001594904391 982377809 /nfs/dbraw/zinc/37/78/09/982377809.db2.gz ZIYAOGBRQKMACJ-OIBJUYFYSA-N -2 3 353.404 0.777 20 0 FCADHL CCN(C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)[C@H]1CCN(C)C1 ZINC001596164769 983527751 /nfs/dbraw/zinc/52/77/51/983527751.db2.gz CGFJUBQRJZDFFI-INIZCTEOSA-N -2 3 372.425 0.959 20 0 FCADHL CCN(CC(=O)[O-])C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC001596219322 983610105 /nfs/dbraw/zinc/61/01/05/983610105.db2.gz MUHHFYMSXLYQOM-UHFFFAOYSA-N -2 3 362.354 0.952 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599900449 984813996 /nfs/dbraw/zinc/81/39/96/984813996.db2.gz RGDKLTRWBXILMF-BQBZGAKWSA-N -2 3 352.771 0.735 20 0 FCADHL C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001599904809 984907945 /nfs/dbraw/zinc/90/79/45/984907945.db2.gz GISLAZJDZFPDTD-IGJIYHIXSA-N -3 3 355.727 0.290 20 0 FCADHL 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Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000675983152 493516358 /nfs/dbraw/zinc/51/63/58/493516358.db2.gz GNTOXWPQDXFRMB-KCJUWKMLSA-N -2 3 361.420 0.574 20 0 FCADHL Cc1nn2cc(S(=O)(=O)[N-][C@]3(C(=O)[O-])CCOC3)cnc2c1Cl ZINC000669668607 493520284 /nfs/dbraw/zinc/52/02/84/493520284.db2.gz VNPSCTPAIYQCCG-GFCCVEGCSA-N -2 3 360.779 0.213 20 0 FCADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000676076530 493521857 /nfs/dbraw/zinc/52/18/57/493521857.db2.gz CDEXYXSJWXTRDO-UHFFFAOYSA-N -2 3 365.392 0.840 20 0 FCADHL C[C@@]1(c2ccc(C(=O)NC3(C(=O)[O-])CCOCC3)cc2)NC(=O)[N-]C1=O ZINC000663142128 493574528 /nfs/dbraw/zinc/57/45/28/493574528.db2.gz CSZWRPFOJXHQLF-INIZCTEOSA-N -2 3 361.354 0.105 20 0 FCADHL CCc1nc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])cn1CC1CC1 ZINC000663286690 493581703 /nfs/dbraw/zinc/58/17/03/493581703.db2.gz SZUJOBRNIPBNRO-SNVBAGLBSA-N -3 3 359.404 0.309 20 0 FCADHL CCc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)cn1CC1CC1 ZINC000663285011 493581741 /nfs/dbraw/zinc/58/17/41/493581741.db2.gz BMPYEUKIGVQPDR-FZMZJTMJSA-N -2 3 357.432 0.624 20 0 FCADHL CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663420073 493588017 /nfs/dbraw/zinc/58/80/17/493588017.db2.gz WZPLFJCHQGCYLM-UHFFFAOYSA-N -2 3 368.433 0.236 20 0 FCADHL C=CCNC(=S)N[N-]C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000042785788 674343451 /nfs/dbraw/zinc/34/34/51/674343451.db2.gz RZEGSSSZRHXVJB-UHFFFAOYSA-N -2 3 360.461 0.651 20 0 FCADHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(Br)c1 ZINC000049152846 674353488 /nfs/dbraw/zinc/35/34/88/674353488.db2.gz JMEHRSFCRIKNBS-UHFFFAOYSA-N -2 3 366.237 0.978 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CC2)o1 ZINC000477061727 546942351 /nfs/dbraw/zinc/94/23/51/546942351.db2.gz ZHWNQSNIKVNMQV-UHFFFAOYSA-N -2 3 354.392 0.289 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)o1 ZINC000477061727 546942355 /nfs/dbraw/zinc/94/23/55/546942355.db2.gz ZHWNQSNIKVNMQV-UHFFFAOYSA-N -2 3 354.392 0.289 20 0 FCADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)nc2)n[n-]1 ZINC000546595451 547041992 /nfs/dbraw/zinc/04/19/92/547041992.db2.gz LCJIBOGAVCKYCH-UHFFFAOYSA-N -2 3 354.344 0.569 20 0 FCADHL O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cncc([O-])c1 ZINC000552252005 547196881 /nfs/dbraw/zinc/19/68/81/547196881.db2.gz XBKRWXXTEJRGQK-UHFFFAOYSA-N -2 3 357.338 0.774 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736968012 598858768 /nfs/dbraw/zinc/85/87/68/598858768.db2.gz CXXORMHLUDNMGV-SNVBAGLBSA-N -2 3 353.404 0.280 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736968012 598858770 /nfs/dbraw/zinc/85/87/70/598858770.db2.gz CXXORMHLUDNMGV-SNVBAGLBSA-N -2 3 353.404 0.280 20 0 FCADHL O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738340543 598910203 /nfs/dbraw/zinc/91/02/03/598910203.db2.gz YDMZDDYRGOQNLE-UHFFFAOYSA-N -2 3 361.322 0.244 20 0 FCADHL O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738340543 598910204 /nfs/dbraw/zinc/91/02/04/598910204.db2.gz YDMZDDYRGOQNLE-UHFFFAOYSA-N -2 3 361.322 0.244 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1cnn(C)c1 ZINC000737299545 598976176 /nfs/dbraw/zinc/97/61/76/598976176.db2.gz RPLUWXWUBRMLKT-XQRVVYSFSA-N -2 3 373.398 0.427 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1cnn(C)c1 ZINC000737299545 598976178 /nfs/dbraw/zinc/97/61/78/598976178.db2.gz RPLUWXWUBRMLKT-XQRVVYSFSA-N -2 3 373.398 0.427 20 0 FCADHL COCCOCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737005646 598974816 /nfs/dbraw/zinc/97/48/16/598974816.db2.gz IQKVZBQBERAIBS-UHFFFAOYSA-N -2 3 369.403 0.033 20 0 FCADHL COCCOCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737005646 598974817 /nfs/dbraw/zinc/97/48/17/598974817.db2.gz IQKVZBQBERAIBS-UHFFFAOYSA-N -2 3 369.403 0.033 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCOC(C)C ZINC000737299497 598976629 /nfs/dbraw/zinc/97/66/29/598976629.db2.gz QPSUWSDXTVNRDS-UHFFFAOYSA-N -2 3 353.404 0.795 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCOC(C)C ZINC000737299497 598976630 /nfs/dbraw/zinc/97/66/30/598976630.db2.gz QPSUWSDXTVNRDS-UHFFFAOYSA-N -2 3 353.404 0.795 20 0 FCADHL O=C([O-])CCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000263285319 597378542 /nfs/dbraw/zinc/37/85/42/597378542.db2.gz ULIGISKLFJZRRR-UHFFFAOYSA-N -2 3 369.852 0.844 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000738139089 598307714 /nfs/dbraw/zinc/30/77/14/598307714.db2.gz KOSNYYFFYZENKZ-LBPRGKRZSA-N -2 3 351.388 0.495 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000738139089 598307715 /nfs/dbraw/zinc/30/77/15/598307715.db2.gz KOSNYYFFYZENKZ-LBPRGKRZSA-N -2 3 351.388 0.495 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737982144 598424952 /nfs/dbraw/zinc/42/49/52/598424952.db2.gz OAKDKYVGXIFXIT-UHFFFAOYSA-N -2 3 355.293 0.029 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737982144 598424953 /nfs/dbraw/zinc/42/49/53/598424953.db2.gz OAKDKYVGXIFXIT-UHFFFAOYSA-N -2 3 355.293 0.029 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737982869 598617406 /nfs/dbraw/zinc/61/74/06/598617406.db2.gz SQOBMDYRUUUUPT-UHFFFAOYSA-N -2 3 371.748 0.543 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737982869 598617408 /nfs/dbraw/zinc/61/74/08/598617408.db2.gz SQOBMDYRUUUUPT-UHFFFAOYSA-N -2 3 371.748 0.543 20 0 FCADHL CS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737167222 598733946 /nfs/dbraw/zinc/73/39/46/598733946.db2.gz UGJDHLUGQBDTAB-UHFFFAOYSA-N -2 3 360.355 0.743 20 0 FCADHL CS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737167222 598733948 /nfs/dbraw/zinc/73/39/48/598733948.db2.gz UGJDHLUGQBDTAB-UHFFFAOYSA-N -2 3 360.355 0.743 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000739594402 599887138 /nfs/dbraw/zinc/88/71/38/599887138.db2.gz OYCDNEANHRXPLX-MRVPVSSYSA-N -2 3 374.365 0.952 20 0 FCADHL CCNS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)c1 ZINC000737129927 600536100 /nfs/dbraw/zinc/53/61/00/600536100.db2.gz RTOSHLCRDSGKAA-UHFFFAOYSA-N -2 3 371.350 0.121 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(N)=O ZINC000736664568 600632164 /nfs/dbraw/zinc/63/21/64/600632164.db2.gz OKKWBGLSFKKAKV-BYPYZUCNSA-N -2 3 369.168 0.439 20 0 FCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833090234 600979299 /nfs/dbraw/zinc/97/92/99/600979299.db2.gz UWUBKPJVXYXRNQ-ZJUUUORDSA-N -2 3 350.375 0.966 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(N)=O)cc1C(=O)[O-] ZINC000833028693 601219816 /nfs/dbraw/zinc/21/98/16/601219816.db2.gz NPJDMCPIVCHXPM-GFCCVEGCSA-N -2 3 352.368 0.661 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000831651222 601262848 /nfs/dbraw/zinc/26/28/48/601262848.db2.gz TXLQBSAZCNYXHM-WCBMZHEXSA-N -2 3 362.429 0.506 20 0 FCADHL O=C([O-])c1ccsc1N1CC[C@H]([N-]S(=O)(=O)C[C@@H]2CCCO2)C1=O ZINC000833341976 601263330 /nfs/dbraw/zinc/26/33/30/601263330.db2.gz TUDGRKWMKNNSAF-ONGXEEELSA-N -2 3 374.440 0.650 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)c(C)o1 ZINC000831028989 601291591 /nfs/dbraw/zinc/29/15/91/601291591.db2.gz DYEKVAYLUFPTNJ-GFCCVEGCSA-N -2 3 353.356 0.447 20 0 FCADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000828183865 601519059 /nfs/dbraw/zinc/51/90/59/601519059.db2.gz LPASZFMCEMINSP-PWSUYJOCSA-N -2 3 370.431 0.088 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1F ZINC000767057907 601608388 /nfs/dbraw/zinc/60/83/88/601608388.db2.gz NKQHFCHJLDHTEK-GFCCVEGCSA-N -2 3 374.390 0.438 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1F ZINC000776680501 601739183 /nfs/dbraw/zinc/73/91/83/601739183.db2.gz LBAIANMKXGMVJU-HNNXBMFYSA-N -2 3 374.390 0.486 20 0 FCADHL C[C@H](CC(=O)NCCCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000769495002 602100883 /nfs/dbraw/zinc/10/08/83/602100883.db2.gz BPHNGUIHKJJZQH-SECBINFHSA-N -2 3 363.823 0.773 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cnn2c1CCCC2 ZINC000826450367 607564736 /nfs/dbraw/zinc/56/47/36/607564736.db2.gz IVANHLZTVCSINX-UHFFFAOYSA-N -2 3 373.398 0.518 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cnn2c1CCCC2 ZINC000826450367 607564737 /nfs/dbraw/zinc/56/47/37/607564737.db2.gz IVANHLZTVCSINX-UHFFFAOYSA-N -2 3 373.398 0.518 20 0 FCADHL COc1ccc(CNC(=O)c2ccc(C(=O)[O-])nc2)cc1-c1nnn[n-]1 ZINC000826201040 607609084 /nfs/dbraw/zinc/60/90/84/607609084.db2.gz VHUJLBIBBZYLHT-UHFFFAOYSA-N -2 3 354.326 0.899 20 0 FCADHL COc1ccc(CNC(=O)c2ccc(C(=O)[O-])nc2)cc1-c1nn[n-]n1 ZINC000826201040 607609086 /nfs/dbraw/zinc/60/90/86/607609086.db2.gz VHUJLBIBBZYLHT-UHFFFAOYSA-N -2 3 354.326 0.899 20 0 FCADHL CC[C@@H](SC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825159810 607616293 /nfs/dbraw/zinc/61/62/93/607616293.db2.gz UJLGFLPTMFPVNZ-LLVKDONJSA-N -2 3 355.445 0.954 20 0 FCADHL CC[C@@H](SC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825159810 607616295 /nfs/dbraw/zinc/61/62/95/607616295.db2.gz UJLGFLPTMFPVNZ-LLVKDONJSA-N -2 3 355.445 0.954 20 0 FCADHL C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824686863 607641409 /nfs/dbraw/zinc/64/14/09/607641409.db2.gz CSPPVHHBFALLLV-JGVFFNPUSA-N -2 3 361.374 0.830 20 0 FCADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cnn([C@@H]2CCOC2)c1 ZINC000826493017 607694371 /nfs/dbraw/zinc/69/43/71/607694371.db2.gz PAXDSRQHOPNDAO-SSDOTTSWSA-N -2 3 368.404 0.282 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)c(C)o1 ZINC000831033702 604684625 /nfs/dbraw/zinc/68/46/25/604684625.db2.gz AFQGHABKCKVREQ-QMMMGPOBSA-N -2 3 372.359 0.090 20 0 FCADHL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000833767574 605765063 /nfs/dbraw/zinc/76/50/63/605765063.db2.gz HXSATPRSEIGDQQ-KBPBESRZSA-N -2 3 372.381 0.532 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2O)o1 ZINC000821669535 606337693 /nfs/dbraw/zinc/33/76/93/606337693.db2.gz QCRFJQGJBCSRCV-UHFFFAOYSA-N -2 3 365.327 0.753 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)o1 ZINC000821669535 606337695 /nfs/dbraw/zinc/33/76/95/606337695.db2.gz QCRFJQGJBCSRCV-UHFFFAOYSA-N -2 3 365.327 0.753 20 0 FCADHL O=S(=O)([N-]c1nnc[nH]1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823589068 606356707 /nfs/dbraw/zinc/35/67/07/606356707.db2.gz LEUFQTRFIKOFNZ-UHFFFAOYSA-N -2 3 360.281 0.804 20 0 FCADHL O=S(=O)([N-]c1nnc[nH]1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823589068 606356708 /nfs/dbraw/zinc/35/67/08/606356708.db2.gz LEUFQTRFIKOFNZ-UHFFFAOYSA-N -2 3 360.281 0.804 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821845079 606709624 /nfs/dbraw/zinc/70/96/24/606709624.db2.gz AFJFNPUTHJLVDQ-UHFFFAOYSA-N -2 3 365.375 0.418 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000822623170 606710217 /nfs/dbraw/zinc/71/02/17/606710217.db2.gz PPJSOLPSQWIVGG-UHFFFAOYSA-N -3 3 363.359 0.028 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822940709 606746259 /nfs/dbraw/zinc/74/62/59/606746259.db2.gz BJQDIVYYRPJEDI-LLVKDONJSA-N -2 3 351.388 0.631 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822940709 606746260 /nfs/dbraw/zinc/74/62/60/606746260.db2.gz BJQDIVYYRPJEDI-LLVKDONJSA-N -2 3 351.388 0.631 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821681408 606747548 /nfs/dbraw/zinc/74/75/48/606747548.db2.gz KAUASFLGJOUNBE-JTQLQIEISA-N -2 3 353.404 0.485 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821681408 606747550 /nfs/dbraw/zinc/74/75/50/606747550.db2.gz KAUASFLGJOUNBE-JTQLQIEISA-N -2 3 353.404 0.485 20 0 FCADHL NC(=O)CC1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCC1 ZINC000822865117 606812894 /nfs/dbraw/zinc/81/28/94/606812894.db2.gz VTXJVYCGCJGVHO-UHFFFAOYSA-N -2 3 372.357 0.221 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)O1 ZINC000820973558 606839241 /nfs/dbraw/zinc/83/92/41/606839241.db2.gz YCDIWQFHDCEDEM-NEPJUHHUSA-N -2 3 365.415 0.938 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)O1 ZINC000820973558 606839242 /nfs/dbraw/zinc/83/92/42/606839242.db2.gz YCDIWQFHDCEDEM-NEPJUHHUSA-N -2 3 365.415 0.938 20 0 FCADHL Cc1c([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cnn1C ZINC000822123192 606865972 /nfs/dbraw/zinc/86/59/72/606865972.db2.gz VLBPPVSNZNJGJQ-UHFFFAOYSA-N -2 3 355.330 0.988 20 0 FCADHL Cc1c([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cnn1C ZINC000822123192 606865974 /nfs/dbraw/zinc/86/59/74/606865974.db2.gz VLBPPVSNZNJGJQ-UHFFFAOYSA-N -2 3 355.330 0.988 20 0 FCADHL COC(=O)C(C)(C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821639230 606885080 /nfs/dbraw/zinc/88/50/80/606885080.db2.gz SPSRCDCHNKZCAS-UHFFFAOYSA-N -2 3 361.330 0.375 20 0 FCADHL O=S(=O)([N-]CC[C@H]1CCCO1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573908 606885467 /nfs/dbraw/zinc/88/54/67/606885467.db2.gz ZQNGTQCTMSVVFH-SECBINFHSA-N -2 3 359.358 0.992 20 0 FCADHL O=S(=O)([N-]C[C@@H]1CCCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573599 606887603 /nfs/dbraw/zinc/88/76/03/606887603.db2.gz XJGQOUNNYHXTHH-QMMMGPOBSA-N -2 3 359.358 0.850 20 0 FCADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000822520133 606889138 /nfs/dbraw/zinc/88/91/38/606889138.db2.gz RWXAFLQPTYUXSX-YFKPBYRVSA-N -2 3 371.329 0.876 20 0 FCADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822520133 606889139 /nfs/dbraw/zinc/88/91/39/606889139.db2.gz RWXAFLQPTYUXSX-YFKPBYRVSA-N -2 3 371.329 0.876 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)O1 ZINC000820678652 606916828 /nfs/dbraw/zinc/91/68/28/606916828.db2.gz WVNTXDLKXARJNF-BXKDBHETSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)O1 ZINC000820678652 606916830 /nfs/dbraw/zinc/91/68/30/606916830.db2.gz WVNTXDLKXARJNF-BXKDBHETSA-N -2 3 351.388 0.380 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C)O1 ZINC000822222812 606922992 /nfs/dbraw/zinc/92/29/92/606922992.db2.gz UMWBSQWFUGQYOJ-ONGXEEELSA-N -2 3 351.388 0.548 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C)O1 ZINC000822222812 606922994 /nfs/dbraw/zinc/92/29/94/606922994.db2.gz UMWBSQWFUGQYOJ-ONGXEEELSA-N -2 3 351.388 0.548 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000822222810 606923495 /nfs/dbraw/zinc/92/34/95/606923495.db2.gz UMWBSQWFUGQYOJ-KOLCDFICSA-N -2 3 351.388 0.548 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000822222810 606923497 /nfs/dbraw/zinc/92/34/97/606923497.db2.gz UMWBSQWFUGQYOJ-KOLCDFICSA-N -2 3 351.388 0.548 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000821700550 607104861 /nfs/dbraw/zinc/10/48/61/607104861.db2.gz RMDVXQQOXHQBND-SECBINFHSA-N -2 3 361.358 0.718 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000821700634 607105491 /nfs/dbraw/zinc/10/54/91/607105491.db2.gz TZCLZKHXPUQACR-ZDUSSCGKSA-N -2 3 363.374 0.870 20 0 FCADHL O=C([O-])CN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000823387445 607107716 /nfs/dbraw/zinc/10/77/16/607107716.db2.gz KBWOLPCGFZTWLL-UHFFFAOYSA-N -2 3 361.358 0.338 20 0 FCADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822379173 607184720 /nfs/dbraw/zinc/18/47/20/607184720.db2.gz LOXCDFILCUVXPS-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822379173 607184721 /nfs/dbraw/zinc/18/47/21/607184721.db2.gz LOXCDFILCUVXPS-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000822379618 607185459 /nfs/dbraw/zinc/18/54/59/607185459.db2.gz RIDLNFXPKKFMES-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000822379618 607185460 /nfs/dbraw/zinc/18/54/60/607185460.db2.gz RIDLNFXPKKFMES-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821671476 607185486 /nfs/dbraw/zinc/18/54/86/607185486.db2.gz XPAPOPIMXONNQF-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000263555168 608010725 /nfs/dbraw/zinc/01/07/25/608010725.db2.gz NUPQASPLNKZVJJ-JTQLQIEISA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000263555168 608010726 /nfs/dbraw/zinc/01/07/26/608010726.db2.gz NUPQASPLNKZVJJ-JTQLQIEISA-N -2 3 357.779 0.758 20 0 FCADHL CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000824198394 608011220 /nfs/dbraw/zinc/01/12/20/608011220.db2.gz BVQFSYACTHCWFI-JTQLQIEISA-N -2 3 359.795 0.908 20 0 FCADHL CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)[O-] ZINC000824198394 608011221 /nfs/dbraw/zinc/01/12/21/608011221.db2.gz BVQFSYACTHCWFI-JTQLQIEISA-N -2 3 359.795 0.908 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000826279399 608011571 /nfs/dbraw/zinc/01/15/71/608011571.db2.gz OVTJAHXWBWHOSL-NSHDSACASA-N -2 3 353.404 0.953 20 0 FCADHL CC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC000825146870 608054742 /nfs/dbraw/zinc/05/47/42/608054742.db2.gz FRDYNKUYUQLNTH-VIFPVBQESA-N -2 3 361.330 0.375 20 0 FCADHL C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824450097 608124739 /nfs/dbraw/zinc/12/47/39/608124739.db2.gz RVIGFJULTRPATI-JOQOHGAHSA-N -2 3 365.387 0.190 20 0 FCADHL O=S(=O)([N-]CCCn1ccnn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826491212 608125437 /nfs/dbraw/zinc/12/54/37/608125437.db2.gz YCYUIPQZIBTLSS-UHFFFAOYSA-N -2 3 370.345 0.105 20 0 FCADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826216573 608144773 /nfs/dbraw/zinc/14/47/73/608144773.db2.gz FOMOHKHBTXHDIR-UHFFFAOYSA-N -2 3 362.371 0.463 20 0 FCADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826216573 608144774 /nfs/dbraw/zinc/14/47/74/608144774.db2.gz FOMOHKHBTXHDIR-UHFFFAOYSA-N -2 3 362.371 0.463 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000826358574 608146646 /nfs/dbraw/zinc/14/66/46/608146646.db2.gz ZDMGJDWHJXRCLD-UHFFFAOYSA-N -2 3 364.362 0.604 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000826358574 608146647 /nfs/dbraw/zinc/14/66/47/608146647.db2.gz ZDMGJDWHJXRCLD-UHFFFAOYSA-N -2 3 364.362 0.604 20 0 FCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1c(Cl)nc2ccccn21 ZINC000826492534 608306175 /nfs/dbraw/zinc/30/61/75/608306175.db2.gz PMCGVMNLUYHSIL-UHFFFAOYSA-N -2 3 365.766 0.692 20 0 FCADHL COc1cc(F)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c(F)c1 ZINC000826180186 608307292 /nfs/dbraw/zinc/30/72/92/608307292.db2.gz WCZGIPUHQZKIDP-UHFFFAOYSA-N -2 3 357.302 0.677 20 0 FCADHL CCc1cccnc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825728643 608316484 /nfs/dbraw/zinc/31/64/84/608316484.db2.gz UMDCTXQFGKIWMH-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CCc1cccnc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825728643 608316486 /nfs/dbraw/zinc/31/64/86/608316486.db2.gz UMDCTXQFGKIWMH-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825066370 608473147 /nfs/dbraw/zinc/47/31/47/608473147.db2.gz CELNFNMXTLOYMH-MRVPVSSYSA-N -2 3 357.367 0.880 20 0 FCADHL CC1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)OCCO1 ZINC000824823366 608561530 /nfs/dbraw/zinc/56/15/30/608561530.db2.gz MMYKIEOJMMJPOS-UHFFFAOYSA-N -2 3 361.330 0.186 20 0 FCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825659707 608819959 /nfs/dbraw/zinc/81/99/59/608819959.db2.gz ZZSFUUIVDAPWMV-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825659707 608819961 /nfs/dbraw/zinc/81/99/61/608819961.db2.gz ZZSFUUIVDAPWMV-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL Cc1cc(C(=O)[N-]N2CCCC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259943 609166342 /nfs/dbraw/zinc/16/63/42/609166342.db2.gz NUFIUJJGSVHDRB-UHFFFAOYSA-N -2 3 352.358 0.628 20 0 FCADHL Cc1cc(C(=O)[N-]N2CCCC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259943 609166343 /nfs/dbraw/zinc/16/63/43/609166343.db2.gz NUFIUJJGSVHDRB-UHFFFAOYSA-N -2 3 352.358 0.628 20 0 FCADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[nH]n1 ZINC000825560698 609382523 /nfs/dbraw/zinc/38/25/23/609382523.db2.gz VSXUGZYWNRWGGV-UHFFFAOYSA-N -2 3 363.359 0.567 20 0 FCADHL Cc1cc(C(=O)[N-]N2CN=NC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261207 609435101 /nfs/dbraw/zinc/43/51/01/609435101.db2.gz VSFZCOUURKCVDD-UHFFFAOYSA-N -2 3 352.318 0.042 20 0 FCADHL Cc1cc(C(=O)[N-]N2CN=NC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261207 609435104 /nfs/dbraw/zinc/43/51/04/609435104.db2.gz VSFZCOUURKCVDD-UHFFFAOYSA-N -2 3 352.318 0.042 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826461447 609506690 /nfs/dbraw/zinc/50/66/90/609506690.db2.gz VMBFLRLAGFHJSA-GFCCVEGCSA-N -2 3 351.388 0.493 20 0 FCADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000319024520 664859914 /nfs/dbraw/zinc/85/99/14/664859914.db2.gz FFQXMDJMXNWBRD-QMMMGPOBSA-N -2 3 350.780 0.810 20 0 FCADHL NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436871310 666038264 /nfs/dbraw/zinc/03/82/64/666038264.db2.gz JZQYHHJGHLNLOX-UHFFFAOYSA-N -2 3 352.324 0.726 20 0 FCADHL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1F ZINC000912562240 666454755 /nfs/dbraw/zinc/45/47/55/666454755.db2.gz BAFUCGLYYXRFDE-UHFFFAOYSA-N -2 3 367.322 0.316 20 0 FCADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000064375524 666456949 /nfs/dbraw/zinc/45/69/49/666456949.db2.gz QIUFYKXXFXSIKB-UHFFFAOYSA-N -2 3 358.420 0.946 20 0 FCADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000064375316 666457100 /nfs/dbraw/zinc/45/71/00/666457100.db2.gz NQMWDKYNIIZRSY-UHFFFAOYSA-N -3 3 373.387 0.449 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)o1 ZINC000046314938 666570754 /nfs/dbraw/zinc/57/07/54/666570754.db2.gz NUVLRNDEDGSROE-UHFFFAOYSA-N -2 3 366.351 0.301 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1nc[nH]n1 ZINC000230954340 666603261 /nfs/dbraw/zinc/60/32/61/666603261.db2.gz GWDLXBZNBMULHK-SCSAIBSYSA-N -2 3 365.165 0.898 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737818291 667887454 /nfs/dbraw/zinc/88/74/54/667887454.db2.gz HRGFSNOMRMVJGT-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CC1CCOCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737818291 667887457 /nfs/dbraw/zinc/88/74/57/667887457.db2.gz HRGFSNOMRMVJGT-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000776504407 668266936 /nfs/dbraw/zinc/26/69/36/668266936.db2.gz UITZDBRQRIALKE-MRVPVSSYSA-N -2 3 367.326 0.519 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)nc1Cl ZINC000772196611 668293008 /nfs/dbraw/zinc/29/30/08/668293008.db2.gz BVVHLVQMHRFCFM-JQWIXIFHSA-N -2 3 373.818 0.409 20 0 FCADHL CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784896634 668681053 /nfs/dbraw/zinc/68/10/53/668681053.db2.gz LDTOIRQJIOPWJK-ZETCQYMHSA-N -2 3 354.381 0.037 20 0 FCADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000795350245 669028252 /nfs/dbraw/zinc/02/82/52/669028252.db2.gz BRZHPBXTGDRNJJ-VIFPVBQESA-N -2 3 360.388 0.756 20 0 FCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2cn(C)nc2C)c1 ZINC000821108744 669157681 /nfs/dbraw/zinc/15/76/81/669157681.db2.gz XSGZTXICRIFRNQ-QHCPKHFHSA-N -2 3 371.440 0.350 20 0 FCADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825659122 669463723 /nfs/dbraw/zinc/46/37/23/669463723.db2.gz OMBJBOHEIZDMIV-UHFFFAOYSA-N -2 3 362.371 0.712 20 0 FCADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825659122 669463727 /nfs/dbraw/zinc/46/37/27/669463727.db2.gz OMBJBOHEIZDMIV-UHFFFAOYSA-N -2 3 362.371 0.712 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450189 669494014 /nfs/dbraw/zinc/49/40/14/669494014.db2.gz AILIHAQPKPZGDI-UHFFFAOYSA-N -2 3 358.383 0.802 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450189 669494017 /nfs/dbraw/zinc/49/40/17/669494017.db2.gz AILIHAQPKPZGDI-UHFFFAOYSA-N -2 3 358.383 0.802 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449873 669494217 /nfs/dbraw/zinc/49/42/17/669494217.db2.gz MZGCPQUPBQMZMH-UHFFFAOYSA-N -2 3 359.371 0.232 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449873 669494220 /nfs/dbraw/zinc/49/42/20/669494220.db2.gz MZGCPQUPBQMZMH-UHFFFAOYSA-N -2 3 359.371 0.232 20 0 FCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000833721380 669937361 /nfs/dbraw/zinc/93/73/61/669937361.db2.gz AUTRSJUEOZVXNZ-AWEZNQCLSA-N -2 3 363.363 0.770 20 0 FCADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844796954 670945173 /nfs/dbraw/zinc/94/51/73/670945173.db2.gz PAAWKUQNTXKBEP-VIFPVBQESA-N -2 3 368.770 0.949 20 0 FCADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C(=O)[O-] ZINC000848679869 671289716 /nfs/dbraw/zinc/28/97/16/671289716.db2.gz VZOXGSAPPSHQND-JTQLQIEISA-N -2 3 363.363 0.689 20 0 FCADHL CCc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n[nH]1 ZINC000851701454 671460821 /nfs/dbraw/zinc/46/08/21/671460821.db2.gz GRRGKPUZFUEDTO-WPRPVWTQSA-N -2 3 362.308 0.708 20 0 FCADHL CC(C)OC(=O)CCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733651 671520099 /nfs/dbraw/zinc/52/00/99/671520099.db2.gz VIAPTXRHILSELF-KOLCDFICSA-N -2 3 354.325 0.924 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC=C(C(=O)[O-])C1 ZINC000853069596 671536456 /nfs/dbraw/zinc/53/64/56/671536456.db2.gz QBDJSENZGBQMSR-MRVPVSSYSA-N -2 3 360.775 0.973 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903706189 675962378 /nfs/dbraw/zinc/96/23/78/675962378.db2.gz DYYPMYCCLQPJNK-SVNGYHJRSA-N -2 3 366.336 0.386 20 0 FCADHL O=C(CCc1nnn[n-]1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870164593 672474647 /nfs/dbraw/zinc/47/46/47/672474647.db2.gz SWDIPIYMVRPSNF-UHFFFAOYSA-N -2 3 350.810 0.836 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccc3ccccc3n2)o1 ZINC000031550430 1168609010 /nfs/dbraw/zinc/60/90/10/1168609010.db2.gz CABRYFRYDDYRKD-UHFFFAOYSA-N -2 3 374.378 0.811 20 0 FCADHL O=C(c1cnc[n-]c1=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001021445118 1169353717 /nfs/dbraw/zinc/35/37/17/1169353717.db2.gz WWKNEKXOXGWVEK-CMPLNLGQSA-N -2 3 355.354 0.270 20 0 FCADHL O=C(c1cnc[n-]c1=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000972797613 1180822347 /nfs/dbraw/zinc/82/23/47/1180822347.db2.gz OGIURWHPWSSLJN-ZYHUDNBSSA-N -2 3 355.354 0.270 20 0 FCADHL CCOC(=O)c1c(C)cc([O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227213190 1225866213 /nfs/dbraw/zinc/86/62/13/1225866213.db2.gz SPVGRGYBQVSMRT-NOZJJQNGSA-N -3 3 370.310 0.319 20 0 FCADHL Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnc[n-]c2=O)C3)c1[O-] ZINC000997664555 1251661147 /nfs/dbraw/zinc/66/11/47/1251661147.db2.gz OXMHDLMVKGNYPN-MIMYLULJSA-N -2 3 358.358 0.095 20 0 FCADHL O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])c1cnc[n-]c1=O ZINC000997665821 1251661872 /nfs/dbraw/zinc/66/18/72/1251661872.db2.gz XAFPQWUWYAJCQZ-USWWRNFRSA-N -2 3 355.354 0.458 20 0 FCADHL CC(C)(C)OC(=O)N1CC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)CC(=O)C1 ZINC001233934939 1259554736 /nfs/dbraw/zinc/55/47/36/1259554736.db2.gz PNXNLWSFUCPHOQ-SNVBAGLBSA-N -2 3 363.374 0.994 20 0 FCADHL Cn1ncc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1C(F)(F)F ZINC001337671843 1260452338 /nfs/dbraw/zinc/45/23/38/1260452338.db2.gz AULJMOBDDNTNIO-UHFFFAOYSA-N -2 3 370.338 0.914 20 0 FCADHL C[C@@H]1CN(c2ccnc(C(=O)NCc3nc([O-])cc(=O)[n-]3)c2)C[C@H](C)O1 ZINC001301575219 1263012026 /nfs/dbraw/zinc/01/20/26/1263012026.db2.gz GBFSRHIBGWCEQT-PHIMTYICSA-N -2 3 359.386 0.826 20 0 FCADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549284291 1267885413 /nfs/dbraw/zinc/88/54/13/1267885413.db2.gz VMEMQUBRPQZLDE-DIFFPNOSSA-N -2 3 350.419 0.111 20 0 FCADHL CC(C)C(=O)Nc1nc(CC(=O)NCc2nc([O-])cc(=O)[n-]2)cs1 ZINC001557702666 1268969510 /nfs/dbraw/zinc/96/95/10/1268969510.db2.gz DWAZSVGYNIDBOO-UHFFFAOYSA-N -2 3 351.388 0.798 20 0 FCADHL Cc1nocc1C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC001561602727 1269247300 /nfs/dbraw/zinc/24/73/00/1269247300.db2.gz YXOWDNDAIARRMS-UHFFFAOYSA-N -2 3 363.392 0.972 20 0 FCADHL C[C@H](C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574548123 1271337701 /nfs/dbraw/zinc/33/77/01/1271337701.db2.gz WNJHRYXGQFAFTF-VHSXEESVSA-N -2 3 369.389 0.188 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nnn[n-]1 ZINC001574651399 1271451549 /nfs/dbraw/zinc/45/15/49/1271451549.db2.gz YGVBBZACIDVKEH-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nn[n-]n1 ZINC001574651399 1271451557 /nfs/dbraw/zinc/45/15/57/1271451557.db2.gz YGVBBZACIDVKEH-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CN(C)c1ccc(-c2nnn[n-]2)nc1)NC(=O)c1ncccc1[O-] ZINC001574791791 1271528323 /nfs/dbraw/zinc/52/83/23/1271528323.db2.gz FROROPXCQCQRPY-SNVBAGLBSA-N -2 3 354.374 0.617 20 0 FCADHL C[C@H](CN(C)c1ccc(-c2nn[n-]n2)nc1)NC(=O)c1ncccc1[O-] ZINC001574791791 1271528329 /nfs/dbraw/zinc/52/83/29/1271528329.db2.gz FROROPXCQCQRPY-SNVBAGLBSA-N -2 3 354.374 0.617 20 0 FCADHL C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575325112 1271930232 /nfs/dbraw/zinc/93/02/32/1271930232.db2.gz OJHYDCBREDEKDI-IUCAKERBSA-N -2 3 370.373 0.232 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575354842 1271982784 /nfs/dbraw/zinc/98/27/84/1271982784.db2.gz BJXMHAVUZVZPAO-VHSXEESVSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575356081 1271986202 /nfs/dbraw/zinc/98/62/02/1271986202.db2.gz LZXAQGWQMNDBFS-VHSXEESVSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575356081 1271986212 /nfs/dbraw/zinc/98/62/12/1271986212.db2.gz LZXAQGWQMNDBFS-VHSXEESVSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575445018 1272117140 /nfs/dbraw/zinc/11/71/40/1272117140.db2.gz POOVFVPRDBKNGY-BDAKNGLRSA-N -2 3 355.362 0.833 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC001580673576 1278694471 /nfs/dbraw/zinc/69/44/71/1278694471.db2.gz PJICPVOYOBPZEV-UHFFFAOYSA-N -2 3 367.373 0.028 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC001580673576 1278694479 /nfs/dbraw/zinc/69/44/79/1278694479.db2.gz PJICPVOYOBPZEV-UHFFFAOYSA-N -2 3 367.373 0.028 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575842936 1272515756 /nfs/dbraw/zinc/51/57/56/1272515756.db2.gz FPJHFIZHRNGHFY-MRXNPFEDSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575842936 1272515765 /nfs/dbraw/zinc/51/57/65/1272515765.db2.gz FPJHFIZHRNGHFY-MRXNPFEDSA-N -2 3 367.373 0.156 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(NC2(CNC(=O)c3ncccc3[O-])CC2)n1 ZINC001580705119 1278759350 /nfs/dbraw/zinc/75/93/50/1278759350.db2.gz PXKKEISTZNNWDP-UHFFFAOYSA-N -2 3 367.373 0.440 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(NC2(CNC(=O)c3ncccc3[O-])CC2)n1 ZINC001580705119 1278759359 /nfs/dbraw/zinc/75/93/59/1278759359.db2.gz PXKKEISTZNNWDP-UHFFFAOYSA-N -2 3 367.373 0.440 20 0 FCADHL CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC001578056716 1275349476 /nfs/dbraw/zinc/34/94/76/1275349476.db2.gz KWSKDMFINBKLIC-UHFFFAOYSA-N -2 3 357.378 0.255 20 0 FCADHL CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC001578056716 1275349484 /nfs/dbraw/zinc/34/94/84/1275349484.db2.gz KWSKDMFINBKLIC-UHFFFAOYSA-N -2 3 357.378 0.255 20 0 FCADHL CCN(c1ccnc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001578194328 1275484041 /nfs/dbraw/zinc/48/40/41/1275484041.db2.gz FLIHCUWCBDPMRJ-SNVBAGLBSA-N -2 3 369.389 0.402 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001578949264 1276492619 /nfs/dbraw/zinc/49/26/19/1276492619.db2.gz GFXMSPYMZWMWKI-GFCCVEGCSA-N -2 3 366.385 0.713 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001578949264 1276492622 /nfs/dbraw/zinc/49/26/22/1276492622.db2.gz GFXMSPYMZWMWKI-GFCCVEGCSA-N -2 3 366.385 0.713 20 0 FCADHL CC(C)(C)SCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603110625 1287310355 /nfs/dbraw/zinc/31/03/55/1287310355.db2.gz XYIOELLTIUXPFR-UHFFFAOYSA-N -2 3 356.433 0.598 20 0 FCADHL CC(C)(C)SCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603110625 1287310359 /nfs/dbraw/zinc/31/03/59/1287310359.db2.gz XYIOELLTIUXPFR-UHFFFAOYSA-N -2 3 356.433 0.598 20 0 FCADHL COCCn1c(=O)cc([O-])nc1SCc1cc(-c2nn[n-]n2)ccn1 ZINC001579817681 1277923437 /nfs/dbraw/zinc/92/34/37/1277923437.db2.gz MGYWLLRNTMOACV-UHFFFAOYSA-N -2 3 361.387 0.463 20 0 FCADHL Cc1cc(C(=O)[N-]N2CCOC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC001580870565 1279075489 /nfs/dbraw/zinc/07/54/89/1279075489.db2.gz JNHNMVNUFUUJJN-UHFFFAOYSA-N -2 3 354.330 0.458 20 0 FCADHL Cc1cc(C(=O)[N-]N2CCOC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC001580870565 1279075493 /nfs/dbraw/zinc/07/54/93/1279075493.db2.gz JNHNMVNUFUUJJN-UHFFFAOYSA-N -2 3 354.330 0.458 20 0 FCADHL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001603203140 1287329154 /nfs/dbraw/zinc/32/91/54/1287329154.db2.gz OSZDANNKSUEOKP-JTQLQIEISA-N -3 3 353.360 0.028 20 0 FCADHL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001603203140 1287329156 /nfs/dbraw/zinc/32/91/56/1287329156.db2.gz OSZDANNKSUEOKP-JTQLQIEISA-N -3 3 353.360 0.028 20 0 FCADHL CC(C)C[C@@H](CNC(=O)C(=O)Nc1sccc1-c1nnn[n-]1)C(=O)[O-] ZINC001603264000 1287343533 /nfs/dbraw/zinc/34/35/33/1287343533.db2.gz WHXIZWYFTLQHFI-QMMMGPOBSA-N -2 3 366.403 0.730 20 0 FCADHL CC(C)C[C@@H](CNC(=O)C(=O)Nc1sccc1-c1nn[n-]n1)C(=O)[O-] ZINC001603264000 1287343538 /nfs/dbraw/zinc/34/35/38/1287343538.db2.gz WHXIZWYFTLQHFI-QMMMGPOBSA-N -2 3 366.403 0.730 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581107445 1279400569 /nfs/dbraw/zinc/40/05/69/1279400569.db2.gz CTCIVHYDROLANW-MRVPVSSYSA-N -2 3 371.405 0.785 20 0 FCADHL CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603282849 1287346341 /nfs/dbraw/zinc/34/63/41/1287346341.db2.gz LCVRIGUAQSSCDR-JTQLQIEISA-N -2 3 368.419 0.518 20 0 FCADHL CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603282849 1287346344 /nfs/dbraw/zinc/34/63/44/1287346344.db2.gz LCVRIGUAQSSCDR-JTQLQIEISA-N -2 3 368.419 0.518 20 0 FCADHL CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001603315695 1287352608 /nfs/dbraw/zinc/35/26/08/1287352608.db2.gz LDZPKOLAVQHTSG-SNVBAGLBSA-N -2 3 353.404 0.880 20 0 FCADHL Cc1n[nH]c(C(=O)NCCNc2ncc(-c3nn[n-]n3)cc2Cl)c1[O-] ZINC001581391610 1279821892 /nfs/dbraw/zinc/82/18/92/1279821892.db2.gz LAFSXUVYNZFGNP-UHFFFAOYSA-N -2 3 363.769 0.494 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581391989 1279823624 /nfs/dbraw/zinc/82/36/24/1279823624.db2.gz REQAAWCPXPRNLQ-QMMMGPOBSA-N -2 3 357.378 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581391989 1279823634 /nfs/dbraw/zinc/82/36/34/1279823634.db2.gz REQAAWCPXPRNLQ-QMMMGPOBSA-N -2 3 357.378 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)C)c1[O-] ZINC001581392121 1279825332 /nfs/dbraw/zinc/82/53/32/1279825332.db2.gz WOTNGXZKKZMPOJ-GFCCVEGCSA-N -2 3 371.405 0.865 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)C)c1[O-] ZINC001581392121 1279825339 /nfs/dbraw/zinc/82/53/39/1279825339.db2.gz WOTNGXZKKZMPOJ-GFCCVEGCSA-N -2 3 371.405 0.865 20 0 FCADHL C[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001603488497 1287389433 /nfs/dbraw/zinc/38/94/33/1287389433.db2.gz NRJFLFJMVPGOEJ-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001603488497 1287389437 /nfs/dbraw/zinc/38/94/37/1287389437.db2.gz NRJFLFJMVPGOEJ-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)CCn1ccnc1 ZINC001603499289 1287392327 /nfs/dbraw/zinc/39/23/27/1287392327.db2.gz HIZDJPKFBHOGFT-NSHDSACASA-N -2 3 361.420 0.378 20 0 FCADHL Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001581530466 1280087276 /nfs/dbraw/zinc/08/72/76/1280087276.db2.gz BDLYBFAOHLDONB-UHFFFAOYSA-N -2 3 354.330 0.236 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001603752196 1287487265 /nfs/dbraw/zinc/48/72/65/1287487265.db2.gz UDJOLWWYGVOPAD-CQSZACIVSA-N -2 3 369.378 0.775 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001603752196 1287487266 /nfs/dbraw/zinc/48/72/66/1287487266.db2.gz UDJOLWWYGVOPAD-CQSZACIVSA-N -2 3 369.378 0.775 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001603751419 1287487959 /nfs/dbraw/zinc/48/79/59/1287487959.db2.gz HKDLHLPBYRLQGF-CQSZACIVSA-N -2 3 351.388 0.636 20 0 FCADHL O=C(NCC1CC(Nc2ncccc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582425814 1281491552 /nfs/dbraw/zinc/49/15/52/1281491552.db2.gz HBLWQCKRCUNTML-UHFFFAOYSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NCC1CC(Nc2ncccc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582425814 1281491556 /nfs/dbraw/zinc/49/15/56/1281491556.db2.gz HBLWQCKRCUNTML-UHFFFAOYSA-N -2 3 366.385 0.983 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603829726 1287509015 /nfs/dbraw/zinc/50/90/15/1287509015.db2.gz BCJAJJVPEWMYJN-IONNQARKSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603829727 1287510233 /nfs/dbraw/zinc/51/02/33/1287510233.db2.gz BCJAJJVPEWMYJN-VXNVDRBHSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001603844631 1287516785 /nfs/dbraw/zinc/51/67/85/1287516785.db2.gz GWURDWMWNRNLMG-IUCAKERBSA-N -2 3 369.378 0.737 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)C(=O)[O-])ccc1F ZINC001603904836 1287529229 /nfs/dbraw/zinc/52/92/29/1287529229.db2.gz HZOZDBZZUNCECT-MRVPVSSYSA-N -2 3 361.347 0.711 20 0 FCADHL O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001582648075 1281839307 /nfs/dbraw/zinc/83/93/07/1281839307.db2.gz NFBYWCNGENPBIT-QMMMGPOBSA-N -2 3 356.350 0.497 20 0 FCADHL C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)CC[C@H]1C(=O)[O-] ZINC001603940642 1287541188 /nfs/dbraw/zinc/54/11/88/1287541188.db2.gz JHIALNDBUTXUFS-RKDXNWHRSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)CC[C@H]1C(=O)[O-] ZINC001603940642 1287541190 /nfs/dbraw/zinc/54/11/90/1287541190.db2.gz JHIALNDBUTXUFS-RKDXNWHRSA-N -2 3 366.403 0.061 20 0 FCADHL CC(C)Oc1ccc([C@@H](O)C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC001603942578 1287541398 /nfs/dbraw/zinc/54/13/98/1287541398.db2.gz XLCRBDGCYWXUBA-ZDUSSCGKSA-N -2 3 369.399 0.907 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001582791020 1282009185 /nfs/dbraw/zinc/00/91/85/1282009185.db2.gz USDBMSCVUXCWJC-UHFFFAOYSA-N -2 3 374.357 0.855 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001582791020 1282009189 /nfs/dbraw/zinc/00/91/89/1282009189.db2.gz USDBMSCVUXCWJC-UHFFFAOYSA-N -2 3 374.357 0.855 20 0 FCADHL O=c1cc(CN2CCO[C@@H](C(F)F)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814414 1282036585 /nfs/dbraw/zinc/03/65/85/1282036585.db2.gz JNIYZEUUSMSXKH-SECBINFHSA-N -2 3 352.305 0.081 20 0 FCADHL CCC(CC)(CNS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001604020169 1287554329 /nfs/dbraw/zinc/55/43/29/1287554329.db2.gz VWCJVHUQWAGXKZ-UHFFFAOYSA-N -2 3 368.419 0.739 20 0 FCADHL CCC(CC)(CNS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001604020169 1287554330 /nfs/dbraw/zinc/55/43/30/1287554330.db2.gz VWCJVHUQWAGXKZ-UHFFFAOYSA-N -2 3 368.419 0.739 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001604081637 1287566996 /nfs/dbraw/zinc/56/69/96/1287566996.db2.gz HVWFXHKOWGEJSH-CQSZACIVSA-N -2 3 369.378 0.881 20 0 FCADHL CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1nccnc1-c1nnn[n-]1 ZINC001604205919 1287589686 /nfs/dbraw/zinc/58/96/86/1287589686.db2.gz CDHZZOWPMFFFNN-UHFFFAOYSA-N -2 3 372.393 0.040 20 0 FCADHL CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC(=O)[O-] ZINC001589287828 1282831400 /nfs/dbraw/zinc/83/14/00/1282831400.db2.gz HEXRWGBSFGVFKG-UHFFFAOYSA-N -2 3 357.367 0.785 20 0 FCADHL CC(C)[C@@H](CNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589456405 1282887469 /nfs/dbraw/zinc/88/74/69/1282887469.db2.gz GNIWXNZFUVLFEA-GFCCVEGCSA-N -2 3 353.404 0.643 20 0 FCADHL CC(C)[C@@H](CNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589456405 1282887478 /nfs/dbraw/zinc/88/74/78/1282887478.db2.gz GNIWXNZFUVLFEA-GFCCVEGCSA-N -2 3 353.404 0.643 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001589792625 1283009277 /nfs/dbraw/zinc/00/92/77/1283009277.db2.gz HCPJXHUAXDANHH-SKDRFNHKSA-N -2 3 366.403 0.272 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001589792625 1283009291 /nfs/dbraw/zinc/00/92/91/1283009291.db2.gz HCPJXHUAXDANHH-SKDRFNHKSA-N -2 3 366.403 0.272 20 0 FCADHL C[C@@H](CNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1)C(=O)[O-] ZINC001589858847 1283094121 /nfs/dbraw/zinc/09/41/21/1283094121.db2.gz USXGFHPGEWITGL-LBPRGKRZSA-N -2 3 373.417 0.809 20 0 FCADHL C[C@@H](CNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1)C(=O)[O-] ZINC001589858847 1283094131 /nfs/dbraw/zinc/09/41/31/1283094131.db2.gz USXGFHPGEWITGL-LBPRGKRZSA-N -2 3 373.417 0.809 20 0 FCADHL C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)[C@H](C)C(=O)[O-] ZINC001589976351 1283152278 /nfs/dbraw/zinc/15/22/78/1283152278.db2.gz QTGVVFUMLZLMTN-BQBZGAKWSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)[C@H](C)C(=O)[O-] ZINC001589976351 1283152279 /nfs/dbraw/zinc/15/22/79/1283152279.db2.gz QTGVVFUMLZLMTN-BQBZGAKWSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C1CCC1 ZINC001590024964 1283180595 /nfs/dbraw/zinc/18/05/95/1283180595.db2.gz RCYWYHOFDQOSPC-SECBINFHSA-N -2 3 351.388 0.633 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC001590032016 1283183541 /nfs/dbraw/zinc/18/35/41/1283183541.db2.gz SKMQNIBROGTROQ-JTQLQIEISA-N -2 3 374.382 0.534 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC001590032016 1283183551 /nfs/dbraw/zinc/18/35/51/1283183551.db2.gz SKMQNIBROGTROQ-JTQLQIEISA-N -2 3 374.382 0.534 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1(F)F ZINC001590068345 1283198585 /nfs/dbraw/zinc/19/85/85/1283198585.db2.gz IDWNSUMTBOCXAI-LBPRGKRZSA-N -2 3 357.342 0.858 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1(F)F ZINC001590068345 1283198588 /nfs/dbraw/zinc/19/85/88/1283198588.db2.gz IDWNSUMTBOCXAI-LBPRGKRZSA-N -2 3 357.342 0.858 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001590070741 1283200802 /nfs/dbraw/zinc/20/08/02/1283200802.db2.gz BQFYNOFTZRZSNA-UHFFFAOYSA-N -2 3 369.378 0.881 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590071546 1283200882 /nfs/dbraw/zinc/20/08/82/1283200882.db2.gz PTJZCTICHTZXMF-AWEZNQCLSA-N -2 3 351.388 0.742 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590071546 1283200887 /nfs/dbraw/zinc/20/08/87/1283200887.db2.gz PTJZCTICHTZXMF-AWEZNQCLSA-N -2 3 351.388 0.742 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC001590070722 1283201564 /nfs/dbraw/zinc/20/15/64/1283201564.db2.gz BCJUKNCWBVNIFJ-OAHLLOKOSA-N -2 3 360.378 0.180 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC001590070722 1283201568 /nfs/dbraw/zinc/20/15/68/1283201568.db2.gz BCJUKNCWBVNIFJ-OAHLLOKOSA-N -2 3 360.378 0.180 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001590071685 1283202001 /nfs/dbraw/zinc/20/20/01/1283202001.db2.gz UOQPVLSCIISTHQ-CQSZACIVSA-N -2 3 369.378 0.775 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001590071685 1283202010 /nfs/dbraw/zinc/20/20/10/1283202010.db2.gz UOQPVLSCIISTHQ-CQSZACIVSA-N -2 3 369.378 0.775 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001590071403 1283202354 /nfs/dbraw/zinc/20/23/54/1283202354.db2.gz LLQFQSIXCMGWTP-HNNXBMFYSA-N -2 3 362.321 0.268 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001590071403 1283202357 /nfs/dbraw/zinc/20/23/57/1283202357.db2.gz LLQFQSIXCMGWTP-HNNXBMFYSA-N -2 3 362.321 0.268 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H]1C(=O)[O-] ZINC001590105806 1283217513 /nfs/dbraw/zinc/21/75/13/1283217513.db2.gz ABQUVFOHDFQRDU-SNVBAGLBSA-N -2 3 373.341 0.629 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H]1C(=O)[O-] ZINC001590105806 1283217522 /nfs/dbraw/zinc/21/75/22/1283217522.db2.gz ABQUVFOHDFQRDU-SNVBAGLBSA-N -2 3 373.341 0.629 20 0 FCADHL CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC001590156822 1283252145 /nfs/dbraw/zinc/25/21/45/1283252145.db2.gz PDPGMNJXLDRYPC-UHFFFAOYSA-N -2 3 355.401 0.556 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C)O1 ZINC001590184014 1283293686 /nfs/dbraw/zinc/29/36/86/1283293686.db2.gz ZJPILVJMQBBZIL-PTRXPTGYSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C)O1 ZINC001590184014 1283293694 /nfs/dbraw/zinc/29/36/94/1283293694.db2.gz ZJPILVJMQBBZIL-PTRXPTGYSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590225091 1283354065 /nfs/dbraw/zinc/35/40/65/1283354065.db2.gz BXWBCEDZKQDBTK-IUCAKERBSA-N -2 3 352.376 0.136 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590225091 1283354069 /nfs/dbraw/zinc/35/40/69/1283354069.db2.gz BXWBCEDZKQDBTK-IUCAKERBSA-N -2 3 352.376 0.136 20 0 FCADHL C[C@@H]1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001590264860 1283387820 /nfs/dbraw/zinc/38/78/20/1283387820.db2.gz SJMPWNIIHNYJAJ-PWSUYJOCSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@@H]1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001590264860 1283387828 /nfs/dbraw/zinc/38/78/28/1283387828.db2.gz SJMPWNIIHNYJAJ-PWSUYJOCSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@H](C(=O)[O-])C1 ZINC001590276439 1283402706 /nfs/dbraw/zinc/40/27/06/1283402706.db2.gz OAWNAOKLIMCEEN-KCJUWKMLSA-N -2 3 352.376 0.136 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@H](C(=O)[O-])C1 ZINC001590276439 1283402710 /nfs/dbraw/zinc/40/27/10/1283402710.db2.gz OAWNAOKLIMCEEN-KCJUWKMLSA-N -2 3 352.376 0.136 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@H]1C(=O)[O-] ZINC001590276696 1283405680 /nfs/dbraw/zinc/40/56/80/1283405680.db2.gz PHGOAKXPDSJABT-WRWORJQWSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H]1C(=O)[O-] ZINC001590277962 1283406877 /nfs/dbraw/zinc/40/68/77/1283406877.db2.gz ZMYOGKIWHQFWPG-WKEGUHRASA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H]1C(=O)[O-] ZINC001590277962 1283406885 /nfs/dbraw/zinc/40/68/85/1283406885.db2.gz ZMYOGKIWHQFWPG-WKEGUHRASA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[C@H]1C(=O)[O-] ZINC001590285677 1283415273 /nfs/dbraw/zinc/41/52/73/1283415273.db2.gz UGXRDJGJSOCADA-JOYOIKCWSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@H]1C(=O)[O-] ZINC001590285677 1283415280 /nfs/dbraw/zinc/41/52/80/1283415280.db2.gz UGXRDJGJSOCADA-JOYOIKCWSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590333458 1283479248 /nfs/dbraw/zinc/47/92/48/1283479248.db2.gz DZMGQVQROYWNQI-COMAGPEQSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590333458 1283479251 /nfs/dbraw/zinc/47/92/51/1283479251.db2.gz DZMGQVQROYWNQI-COMAGPEQSA-N -2 3 365.415 0.731 20 0 FCADHL CC[C@@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590403693 1283524837 /nfs/dbraw/zinc/52/48/37/1283524837.db2.gz UZNURAIYAWUSPJ-LDYMZIIASA-N -2 3 354.392 0.128 20 0 FCADHL CC[C@@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590403693 1283524841 /nfs/dbraw/zinc/52/48/41/1283524841.db2.gz UZNURAIYAWUSPJ-LDYMZIIASA-N -2 3 354.392 0.128 20 0 FCADHL CC[C@@H](C)CO[N-]C(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590409783 1283524887 /nfs/dbraw/zinc/52/48/87/1283524887.db2.gz JWDYJHRFJAPPGR-LLVKDONJSA-N -2 3 367.431 0.875 20 0 FCADHL CC[C@@H](C)CO[N-]C(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590409783 1283524892 /nfs/dbraw/zinc/52/48/92/1283524892.db2.gz JWDYJHRFJAPPGR-LLVKDONJSA-N -2 3 367.431 0.875 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590505837 1283576305 /nfs/dbraw/zinc/57/63/05/1283576305.db2.gz WLRAUAPHBIUNKF-PWSUYJOCSA-N -2 3 351.388 0.883 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590505837 1283576312 /nfs/dbraw/zinc/57/63/12/1283576312.db2.gz WLRAUAPHBIUNKF-PWSUYJOCSA-N -2 3 351.388 0.883 20 0 FCADHL CCCN(CC(=O)[O-])S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001590621137 1283660807 /nfs/dbraw/zinc/66/08/07/1283660807.db2.gz ADTNESPIGAIPAE-UHFFFAOYSA-N -2 3 357.367 0.632 20 0 FCADHL CCCN(CC(=O)[O-])S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001590621137 1283660826 /nfs/dbraw/zinc/66/08/26/1283660826.db2.gz ADTNESPIGAIPAE-UHFFFAOYSA-N -2 3 357.367 0.632 20 0 FCADHL CCO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001590778771 1283835839 /nfs/dbraw/zinc/83/58/39/1283835839.db2.gz BORXUWGFBGEJQD-ZDUSSCGKSA-N -2 3 367.431 0.874 20 0 FCADHL CCO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001590778771 1283835853 /nfs/dbraw/zinc/83/58/53/1283835853.db2.gz BORXUWGFBGEJQD-ZDUSSCGKSA-N -2 3 367.431 0.874 20 0 FCADHL CCc1csc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)[nH]c2C)n1 ZINC001590902665 1283953348 /nfs/dbraw/zinc/95/33/48/1283953348.db2.gz LOZQHVIAYKUWFF-UHFFFAOYSA-N -2 3 367.416 0.641 20 0 FCADHL CCc1csc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)[nH]c2C)n1 ZINC001590902665 1283953353 /nfs/dbraw/zinc/95/33/53/1283953353.db2.gz LOZQHVIAYKUWFF-UHFFFAOYSA-N -2 3 367.416 0.641 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)CC(F)F)cc(-c2nnn[n-]2)c1 ZINC001591027300 1284089223 /nfs/dbraw/zinc/08/92/23/1284089223.db2.gz FLJXWKMCXRNIHL-UHFFFAOYSA-N -2 3 360.346 0.257 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)CC(F)F)cc(-c2nn[n-]n2)c1 ZINC001591027300 1284089234 /nfs/dbraw/zinc/08/92/34/1284089234.db2.gz FLJXWKMCXRNIHL-UHFFFAOYSA-N -2 3 360.346 0.257 20 0 FCADHL COC(=O)CCCO[N-]C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC001591263976 1284421567 /nfs/dbraw/zinc/42/15/67/1284421567.db2.gz RICXMBBBXFULTP-UHFFFAOYSA-N -2 3 365.346 0.255 20 0 FCADHL COC(=O)CCCO[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001591263976 1284421571 /nfs/dbraw/zinc/42/15/71/1284421571.db2.gz RICXMBBBXFULTP-UHFFFAOYSA-N -2 3 365.346 0.255 20 0 FCADHL CO[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001591348572 1284484492 /nfs/dbraw/zinc/48/44/92/1284484492.db2.gz WDJWDCQPEZPBOQ-QWRGUYRKSA-N -2 3 351.388 0.487 20 0 FCADHL CO[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591348572 1284484496 /nfs/dbraw/zinc/48/44/96/1284484496.db2.gz WDJWDCQPEZPBOQ-QWRGUYRKSA-N -2 3 351.388 0.487 20 0 FCADHL CO[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001591363118 1284499055 /nfs/dbraw/zinc/49/90/55/1284499055.db2.gz SRHZKEFWMNQROW-LRDDRELGSA-N -2 3 361.358 0.336 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591376308 1284512794 /nfs/dbraw/zinc/51/27/94/1284512794.db2.gz SHDICNZMMOPVCE-GHMZBOCLSA-N -2 3 367.431 0.526 20 0 FCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591376308 1284512802 /nfs/dbraw/zinc/51/28/02/1284512802.db2.gz SHDICNZMMOPVCE-GHMZBOCLSA-N -2 3 367.431 0.526 20 0 FCADHL COCC1(S(=O)(=O)[N-]c2cc(OC)c(-c3nn[n-]n3)cc2F)CC1 ZINC001591390742 1284528899 /nfs/dbraw/zinc/52/88/99/1284528899.db2.gz OMVHKXYFJCBIQA-UHFFFAOYSA-N -2 3 357.367 0.935 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001591407207 1284548025 /nfs/dbraw/zinc/54/80/25/1284548025.db2.gz HLXZKBDWFFIIHW-SECBINFHSA-N -2 3 354.392 0.129 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001591407207 1284548036 /nfs/dbraw/zinc/54/80/36/1284548036.db2.gz HLXZKBDWFFIIHW-SECBINFHSA-N -2 3 354.392 0.129 20 0 FCADHL COCCO[N-]C(=O)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001591439065 1284594865 /nfs/dbraw/zinc/59/48/65/1284594865.db2.gz BONJHQXGXRLRAM-CYBMUJFWSA-N -2 3 360.374 0.055 20 0 FCADHL COCCO[N-]C(=O)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001591439065 1284594866 /nfs/dbraw/zinc/59/48/66/1284594866.db2.gz BONJHQXGXRLRAM-CYBMUJFWSA-N -2 3 360.374 0.055 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC001591497439 1284676980 /nfs/dbraw/zinc/67/69/80/1284676980.db2.gz YXLWIDCQQAPZMU-ZDUSSCGKSA-N -2 3 365.321 0.135 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC001591497439 1284676989 /nfs/dbraw/zinc/67/69/89/1284676989.db2.gz YXLWIDCQQAPZMU-ZDUSSCGKSA-N -2 3 365.321 0.135 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CCC2 ZINC001591505765 1284693279 /nfs/dbraw/zinc/69/32/79/1284693279.db2.gz KBZHZCBAJHQLMW-SNVBAGLBSA-N -2 3 363.399 0.870 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CCC2 ZINC001591505765 1284693293 /nfs/dbraw/zinc/69/32/93/1284693293.db2.gz KBZHZCBAJHQLMW-SNVBAGLBSA-N -2 3 363.399 0.870 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591735695 1284864313 /nfs/dbraw/zinc/86/43/13/1284864313.db2.gz UNBRDIRIVBAGIO-BXKDBHETSA-N -2 3 351.388 0.634 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591735695 1284864323 /nfs/dbraw/zinc/86/43/23/1284864323.db2.gz UNBRDIRIVBAGIO-BXKDBHETSA-N -2 3 351.388 0.634 20 0 FCADHL Cc1cc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)ncc1-c1nn[n-]n1 ZINC001591928986 1285015604 /nfs/dbraw/zinc/01/56/04/1285015604.db2.gz AOTQFAXGTRRQSX-UHFFFAOYSA-N -2 3 370.373 0.470 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc(-c2nnn[n-]2)c1 ZINC001592014388 1285066438 /nfs/dbraw/zinc/06/64/38/1285066438.db2.gz OXHJQLPDFOZIFM-LLVKDONJSA-N -2 3 372.385 0.827 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc(-c2nn[n-]n2)c1 ZINC001592014388 1285066442 /nfs/dbraw/zinc/06/64/42/1285066442.db2.gz OXHJQLPDFOZIFM-LLVKDONJSA-N -2 3 372.385 0.827 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)n2ncnc2n1 ZINC001592054065 1285097323 /nfs/dbraw/zinc/09/73/23/1285097323.db2.gz NRVJUHLZQCQVBZ-UHFFFAOYSA-N -2 3 372.374 0.117 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)n2ncnc2n1 ZINC001592054065 1285097331 /nfs/dbraw/zinc/09/73/31/1285097331.db2.gz NRVJUHLZQCQVBZ-UHFFFAOYSA-N -2 3 372.374 0.117 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)CO1 ZINC001592109467 1285142805 /nfs/dbraw/zinc/14/28/05/1285142805.db2.gz MUUKOUSAWXUVEU-KWQFWETISA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)CO1 ZINC001592109467 1285142810 /nfs/dbraw/zinc/14/28/10/1285142810.db2.gz MUUKOUSAWXUVEU-KWQFWETISA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC001592109647 1285145640 /nfs/dbraw/zinc/14/56/40/1285145640.db2.gz VRISPWLYOHARRL-JFGNBEQYSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC001592109647 1285145642 /nfs/dbraw/zinc/14/56/42/1285145642.db2.gz VRISPWLYOHARRL-JFGNBEQYSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(=O)[nH]1 ZINC001592127874 1285156630 /nfs/dbraw/zinc/15/66/30/1285156630.db2.gz AKINDPDPABQYGL-UHFFFAOYSA-N -2 3 374.382 0.536 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]1 ZINC001592127874 1285156643 /nfs/dbraw/zinc/15/66/43/1285156643.db2.gz AKINDPDPABQYGL-UHFFFAOYSA-N -2 3 374.382 0.536 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(-c2nnn[n-]2)c1 ZINC001592189438 1285174225 /nfs/dbraw/zinc/17/42/25/1285174225.db2.gz CBWBYFGSZVAAHM-QWRGUYRKSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(-c2nn[n-]n2)c1 ZINC001592189438 1285174229 /nfs/dbraw/zinc/17/42/29/1285174229.db2.gz CBWBYFGSZVAAHM-QWRGUYRKSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC001592192796 1285177691 /nfs/dbraw/zinc/17/76/91/1285177691.db2.gz QEPKWPQNRKPYHC-SUZMYJTESA-N -2 3 363.399 0.516 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC001592192796 1285177695 /nfs/dbraw/zinc/17/76/95/1285177695.db2.gz QEPKWPQNRKPYHC-SUZMYJTESA-N -2 3 363.399 0.516 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001592214532 1285186029 /nfs/dbraw/zinc/18/60/29/1285186029.db2.gz SCONREOELKVEMY-CQSZACIVSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001592214532 1285186035 /nfs/dbraw/zinc/18/60/35/1285186035.db2.gz SCONREOELKVEMY-CQSZACIVSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1C ZINC001592220510 1285189209 /nfs/dbraw/zinc/18/92/09/1285189209.db2.gz DVCWWZBIATUAQD-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1C ZINC001592220510 1285189215 /nfs/dbraw/zinc/18/92/15/1285189215.db2.gz DVCWWZBIATUAQD-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC3(C)CC2(C(=O)[O-])C3)cc1-c1nnn[n-]1 ZINC001592411517 1285324212 /nfs/dbraw/zinc/32/42/12/1285324212.db2.gz AOSLBSXTWMGNSY-UHFFFAOYSA-N -2 3 364.387 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC3(C)CC2(C(=O)[O-])C3)cc1-c1nn[n-]n1 ZINC001592411517 1285324219 /nfs/dbraw/zinc/32/42/19/1285324219.db2.gz AOSLBSXTWMGNSY-UHFFFAOYSA-N -2 3 364.387 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1-c1nnn[n-]1 ZINC001592412666 1285329519 /nfs/dbraw/zinc/32/95/19/1285329519.db2.gz IWPQRSZKIWRNAU-KCJUWKMLSA-N -2 3 366.403 0.301 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001592412666 1285329529 /nfs/dbraw/zinc/32/95/29/1285329529.db2.gz IWPQRSZKIWRNAU-KCJUWKMLSA-N -2 3 366.403 0.301 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592414083 1285334053 /nfs/dbraw/zinc/33/40/53/1285334053.db2.gz ZNPVOKRNLFHWRY-QPUJVOFHSA-N -2 3 366.403 0.444 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592414083 1285334062 /nfs/dbraw/zinc/33/40/62/1285334062.db2.gz ZNPVOKRNLFHWRY-QPUJVOFHSA-N -2 3 366.403 0.444 20 0 FCADHL Cc1nn2c(SCCc3ccc(-c4nnn[n-]4)cc3)n[n-]c2nc1=O ZINC001592438409 1285368519 /nfs/dbraw/zinc/36/85/19/1285368519.db2.gz YNZSDUGNXTVWGQ-UHFFFAOYSA-N -2 3 355.387 0.636 20 0 FCADHL Cc1nn2c(SCCc3ccc(-c4nn[n-]n4)cc3)n[n-]c2nc1=O ZINC001592438409 1285368527 /nfs/dbraw/zinc/36/85/27/1285368527.db2.gz YNZSDUGNXTVWGQ-UHFFFAOYSA-N -2 3 355.387 0.636 20 0 FCADHL Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC001592507267 1285431425 /nfs/dbraw/zinc/43/14/25/1285431425.db2.gz ZXAWQHHYFGVVFU-UHFFFAOYSA-N -2 3 370.329 0.338 20 0 FCADHL Cn1c2ccccc2n(CC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)c1=O ZINC001592546488 1285456172 /nfs/dbraw/zinc/45/61/72/1285456172.db2.gz OVJNSVJQIFBSIP-UHFFFAOYSA-N -2 3 365.353 0.630 20 0 FCADHL Cn1c2ccccc2n(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)c1=O ZINC001592546488 1285456178 /nfs/dbraw/zinc/45/61/78/1285456178.db2.gz OVJNSVJQIFBSIP-UHFFFAOYSA-N -2 3 365.353 0.630 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC001592561702 1285475091 /nfs/dbraw/zinc/47/50/91/1285475091.db2.gz VGSPOZOCAJMMQO-UHFFFAOYSA-N -2 3 352.298 0.217 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC001592561702 1285475093 /nfs/dbraw/zinc/47/50/93/1285475093.db2.gz VGSPOZOCAJMMQO-UHFFFAOYSA-N -2 3 352.298 0.217 20 0 FCADHL Cn1[n-]c(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1=O ZINC001592591952 1285526877 /nfs/dbraw/zinc/52/68/77/1285526877.db2.gz BEXSPHQPQKVVCT-UHFFFAOYSA-N -2 3 368.401 0.705 20 0 FCADHL Cn1[n-]c(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1=O ZINC001592591952 1285526882 /nfs/dbraw/zinc/52/68/82/1285526882.db2.gz BEXSPHQPQKVVCT-UHFFFAOYSA-N -2 3 368.401 0.705 20 0 FCADHL CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001604831596 1287792617 /nfs/dbraw/zinc/79/26/17/1287792617.db2.gz QBOUIYLCYYLUGU-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL NS(=O)(=O)c1cccc(N2CCC[C@@H](CC(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001592747743 1285668744 /nfs/dbraw/zinc/66/87/44/1285668744.db2.gz BMCHBJPNGNXFJK-VIFPVBQESA-N -2 3 366.403 0.205 20 0 FCADHL NS(=O)(=O)c1cccc(N2CCC[C@@H](CC(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001592747743 1285668750 /nfs/dbraw/zinc/66/87/50/1285668750.db2.gz BMCHBJPNGNXFJK-VIFPVBQESA-N -2 3 366.403 0.205 20 0 FCADHL O=C(CCCC(=O)C1CC1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592834066 1285744475 /nfs/dbraw/zinc/74/44/75/1285744475.db2.gz PXSKCHKZODTBMX-UHFFFAOYSA-N -2 3 363.399 0.821 20 0 FCADHL O=C(CCCC(=O)C1CC1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592834066 1285744485 /nfs/dbraw/zinc/74/44/85/1285744485.db2.gz PXSKCHKZODTBMX-UHFFFAOYSA-N -2 3 363.399 0.821 20 0 FCADHL O=C(CCc1cncnc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592855994 1285759618 /nfs/dbraw/zinc/75/96/18/1285759618.db2.gz PQCYSVTTZLSCOH-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CCc1cncnc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592855994 1285759619 /nfs/dbraw/zinc/75/96/19/1285759619.db2.gz PQCYSVTTZLSCOH-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(NCC=CCNc1ccc(-c2nnn[n-]2)nc1)c1ncccc1[O-] ZINC001593049765 1285943414 /nfs/dbraw/zinc/94/34/14/1285943414.db2.gz ANALLDLAGDKOBG-UPHRSURJSA-N -2 3 352.358 0.760 20 0 FCADHL O=C(NCC=CCNc1ccc(-c2nn[n-]n2)nc1)c1ncccc1[O-] ZINC001593049765 1285943420 /nfs/dbraw/zinc/94/34/20/1285943420.db2.gz ANALLDLAGDKOBG-UPHRSURJSA-N -2 3 352.358 0.760 20 0 FCADHL O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001593142225 1286018167 /nfs/dbraw/zinc/01/81/67/1286018167.db2.gz BLWJTRHDLQOZBX-GFCCVEGCSA-N -2 3 369.389 0.780 20 0 FCADHL O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001593142225 1286018169 /nfs/dbraw/zinc/01/81/69/1286018169.db2.gz BLWJTRHDLQOZBX-GFCCVEGCSA-N -2 3 369.389 0.780 20 0 FCADHL O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001593153497 1286024549 /nfs/dbraw/zinc/02/45/49/1286024549.db2.gz KNPZPFIIPKYUBC-UHFFFAOYSA-N -2 3 352.285 0.947 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001593169332 1286025187 /nfs/dbraw/zinc/02/51/87/1286025187.db2.gz PXIQPXSDVMMYCY-IUODEOHRSA-N -2 3 358.402 0.920 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@H]1CCCCS1 ZINC001593172792 1286026785 /nfs/dbraw/zinc/02/67/85/1286026785.db2.gz PCDMOAGQCLANMM-SNVBAGLBSA-N -2 3 354.417 0.352 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@H]1CCCCS1 ZINC001593172792 1286026789 /nfs/dbraw/zinc/02/67/89/1286026789.db2.gz PCDMOAGQCLANMM-SNVBAGLBSA-N -2 3 354.417 0.352 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)c(F)c1)C2 ZINC001593272455 1286056932 /nfs/dbraw/zinc/05/69/32/1286056932.db2.gz BOCDHBVQPHQTDL-CPFSXVBKSA-N -2 3 353.335 0.101 20 0 FCADHL O=C([O-])[C@@H](CCF)NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001593274857 1286057920 /nfs/dbraw/zinc/05/79/20/1286057920.db2.gz AYZKCNAVDIRXFK-SNVBAGLBSA-N -2 3 361.330 0.238 20 0 FCADHL O=C([O-])[C@@H](CCF)NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001593274857 1286057926 /nfs/dbraw/zinc/05/79/26/1286057926.db2.gz AYZKCNAVDIRXFK-SNVBAGLBSA-N -2 3 361.330 0.238 20 0 FCADHL O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001593274557 1286058638 /nfs/dbraw/zinc/05/86/38/1286058638.db2.gz NRJTUGPAILQTEH-GFCCVEGCSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001593274557 1286058640 /nfs/dbraw/zinc/05/86/40/1286058640.db2.gz NRJTUGPAILQTEH-GFCCVEGCSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCC1 ZINC001593276058 1286058962 /nfs/dbraw/zinc/05/89/62/1286058962.db2.gz JOQOLYOIBKSHEL-JTQLQIEISA-N -3 3 373.341 0.677 20 0 FCADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)o1)C(F)F ZINC001593276491 1286059284 /nfs/dbraw/zinc/05/92/84/1286059284.db2.gz KYDSTDJGLIQIHZ-RXMQYKEDSA-N -3 3 351.291 0.094 20 0 FCADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(F)F ZINC001593276491 1286059288 /nfs/dbraw/zinc/05/92/88/1286059288.db2.gz KYDSTDJGLIQIHZ-RXMQYKEDSA-N -3 3 351.291 0.094 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001593275862 1286059835 /nfs/dbraw/zinc/05/98/35/1286059835.db2.gz YDVYSDQNSFSZPO-SECBINFHSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001593275862 1286059836 /nfs/dbraw/zinc/05/98/36/1286059836.db2.gz YDVYSDQNSFSZPO-SECBINFHSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)CC12CCC2 ZINC001593276681 1286060420 /nfs/dbraw/zinc/06/04/20/1286060420.db2.gz NQPGVDXIZDNANK-LLVKDONJSA-N -2 3 367.362 0.634 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)CC12CCC2 ZINC001593276681 1286060425 /nfs/dbraw/zinc/06/04/25/1286060425.db2.gz NQPGVDXIZDNANK-LLVKDONJSA-N -2 3 367.362 0.634 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(c1nc3c(cc1-c1nnn[n-]1)CCCC3)C2 ZINC001593278800 1286061660 /nfs/dbraw/zinc/06/16/60/1286061660.db2.gz BZJBQIGNOBJUMA-PIGZYNQJSA-N -2 3 356.386 0.678 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(c1nc3c(cc1-c1nn[n-]n1)CCCC3)C2 ZINC001593278800 1286061664 /nfs/dbraw/zinc/06/16/64/1286061664.db2.gz BZJBQIGNOBJUMA-PIGZYNQJSA-N -2 3 356.386 0.678 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593278927 1286062040 /nfs/dbraw/zinc/06/20/40/1286062040.db2.gz HIYIORJGNPXCIM-LLVKDONJSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])CSCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593278528 1286062091 /nfs/dbraw/zinc/06/20/91/1286062091.db2.gz KTRLFCQBLOPUEY-UHFFFAOYSA-N -2 3 361.380 0.102 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C1CC1 ZINC001593279555 1286062973 /nfs/dbraw/zinc/06/29/73/1286062973.db2.gz QNCOYJCGZSLCDR-UONOGXRCSA-N -2 3 357.370 0.815 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001593279361 1286063219 /nfs/dbraw/zinc/06/32/19/1286063219.db2.gz HKMSKXZAVJYFMK-OLZOCXBDSA-N -2 3 365.415 0.930 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001593279361 1286063223 /nfs/dbraw/zinc/06/32/23/1286063223.db2.gz HKMSKXZAVJYFMK-OLZOCXBDSA-N -2 3 365.415 0.930 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001593372825 1286095433 /nfs/dbraw/zinc/09/54/33/1286095433.db2.gz IRXIUPHMXWOHRI-NSHDSACASA-N -2 3 352.358 0.689 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@@]1(C2CCCC2)CCNC1=O ZINC001593405208 1286126218 /nfs/dbraw/zinc/12/62/18/1286126218.db2.gz NHYGUUMKUROGRM-QGZVFWFLSA-N -2 3 356.386 0.973 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@]1(C2CCCC2)CCNC1=O ZINC001593405208 1286126220 /nfs/dbraw/zinc/12/62/20/1286126220.db2.gz NHYGUUMKUROGRM-QGZVFWFLSA-N -2 3 356.386 0.973 20 0 FCADHL O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)[N-][C@H](CCO)C(F)(F)F ZINC001593424325 1286146905 /nfs/dbraw/zinc/14/69/05/1286146905.db2.gz ZCLHAQBLJNOFCU-SNVBAGLBSA-N -2 3 365.337 0.599 20 0 FCADHL O=S(=O)([N-]c1cccc2c1OCC[C@@H]2O)c1cncc(-c2nnn[n-]2)c1 ZINC001593445052 1286159090 /nfs/dbraw/zinc/15/90/90/1286159090.db2.gz DPKTYPLAJCPAOD-ZDUSSCGKSA-N -2 3 374.382 0.878 20 0 FCADHL O=S(=O)([N-]c1cccc2c1OCC[C@@H]2O)c1cncc(-c2nn[n-]n2)c1 ZINC001593445052 1286159093 /nfs/dbraw/zinc/15/90/93/1286159093.db2.gz DPKTYPLAJCPAOD-ZDUSSCGKSA-N -2 3 374.382 0.878 20 0 FCADHL CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001609288761 1289055139 /nfs/dbraw/zinc/05/51/39/1289055139.db2.gz KPBRRACXXJGBLZ-UHFFFAOYSA-N -2 3 374.386 0.814 20 0 FCADHL CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001609288761 1289055146 /nfs/dbraw/zinc/05/51/46/1289055146.db2.gz KPBRRACXXJGBLZ-UHFFFAOYSA-N -2 3 374.386 0.814 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCSCC1 ZINC001598724468 1286401021 /nfs/dbraw/zinc/40/10/21/1286401021.db2.gz NSUDSHOQZJEHOG-ZJUUUORDSA-N -2 3 351.446 0.598 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C2)n1 ZINC001600064469 1286434875 /nfs/dbraw/zinc/43/48/75/1286434875.db2.gz OHWAMUVVVHJSPP-SNVBAGLBSA-N -2 3 358.420 0.100 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C2)n1 ZINC001600064832 1286434911 /nfs/dbraw/zinc/43/49/11/1286434911.db2.gz GSXVUUMRRFCJGV-MWLCHTKSSA-N -2 3 358.420 0.100 20 0 FCADHL Cc1cc(N2CCC([N-]S(=O)(=O)c3csnc3C(=O)[O-])CC2)n[nH]1 ZINC001600239492 1286457970 /nfs/dbraw/zinc/45/79/70/1286457970.db2.gz VSVJIDFOCUJYJP-UHFFFAOYSA-N -2 3 371.444 0.820 20 0 FCADHL Cc1cc(N2CC[C@H]([N-]S(=O)(=O)CC3(C(=O)[O-])CCC3)C2=O)n(C)n1 ZINC001600239505 1286458171 /nfs/dbraw/zinc/45/81/71/1286458171.db2.gz WITTXXZSWICMEC-NSHDSACASA-N -2 3 370.431 0.008 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CCS(=O)(=O)CC2CC2)oc1C(=O)[O-] ZINC001600299738 1286472820 /nfs/dbraw/zinc/47/28/20/1286472820.db2.gz GVKISRXFDYCLGF-UHFFFAOYSA-N -2 3 351.402 0.389 20 0 FCADHL Cc1ccc(-n2[n-]c(C(=O)N3CCN(C)C[C@H](C(=O)[O-])C3)cc2=O)cc1 ZINC001600321241 1286477854 /nfs/dbraw/zinc/47/78/54/1286477854.db2.gz FMHGSNONHBSHLW-ZDUSSCGKSA-N -2 3 358.398 0.562 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(=O)Nc2c(C)cccc2C)c1C(=O)[O-] ZINC001600522114 1286501940 /nfs/dbraw/zinc/50/19/40/1286501940.db2.gz KTENCWBTBZXCIR-UHFFFAOYSA-N -2 3 366.399 0.950 20 0 FCADHL Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001600606407 1286513819 /nfs/dbraw/zinc/51/38/19/1286513819.db2.gz AKVFLGZKRCRXRX-UHFFFAOYSA-N -2 3 373.412 0.841 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(=O)c2cccc(F)c2F)c1C(=O)[O-] ZINC001600672231 1286522775 /nfs/dbraw/zinc/52/27/75/1286522775.db2.gz ASVYQKIXJHFFPW-UHFFFAOYSA-N -2 3 359.310 0.856 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@]2(C)COc3ccccc3O2)c1C(=O)[O-] ZINC001600672550 1286524088 /nfs/dbraw/zinc/52/40/88/1286524088.db2.gz FVPIKEWPYIALOA-OAHLLOKOSA-N -2 3 367.383 0.925 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](C)NC(=O)OC(C)(C)C)c1C(=O)[O-] ZINC001600672736 1286524160 /nfs/dbraw/zinc/52/41/60/1286524160.db2.gz IPXRFXRZOLSUMK-SSDOTTSWSA-N -2 3 362.408 0.608 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2c(C3CCC3)cnn2C)c1C(=O)[O-] ZINC001600673769 1286525032 /nfs/dbraw/zinc/52/50/32/1286525032.db2.gz NDVVMAHPWVWDPL-UHFFFAOYSA-N -2 3 353.404 0.896 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCN2C(=O)Cc3ccccc32)c1C(=O)[O-] ZINC001600674035 1286525352 /nfs/dbraw/zinc/52/53/52/1286525352.db2.gz NYOCGWJCAWFGLY-UHFFFAOYSA-N -2 3 364.383 0.284 20 0 FCADHL Cc1nc2c(c(=O)[n-]1)CN(S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])C2 ZINC001600717965 1286531092 /nfs/dbraw/zinc/53/10/92/1286531092.db2.gz JPNRIVCAPWBZGC-UHFFFAOYSA-N -2 3 370.774 0.942 20 0 FCADHL Cc1ncc(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1C(=O)[O-] ZINC001600742295 1286535190 /nfs/dbraw/zinc/53/51/90/1286535190.db2.gz PDVAOTDZKRFYBU-JTQLQIEISA-N -2 3 358.358 0.984 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCCC2)cc1C(=O)[O-] ZINC001600857058 1286559011 /nfs/dbraw/zinc/55/90/11/1286559011.db2.gz FAGXOCFYXVRYOD-UHFFFAOYSA-N -2 3 365.429 0.922 20 0 FCADHL Cn1cc(C(=O)[O-])c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC001600935986 1286573547 /nfs/dbraw/zinc/57/35/47/1286573547.db2.gz WKMDCFHBMWZCNF-UHFFFAOYSA-N -2 3 373.369 0.814 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)c(Br)n1 ZINC001600968183 1286584056 /nfs/dbraw/zinc/58/40/56/1286584056.db2.gz QHHRSJRDELDSGM-UHFFFAOYSA-N -2 3 368.209 0.095 20 0 FCADHL Cn1ccnc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001600983742 1286588495 /nfs/dbraw/zinc/58/84/95/1286588495.db2.gz AOAYUOWMARSQGO-GXSJLCMTSA-N -2 3 355.372 0.910 20 0 FCADHL COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609316639 1289087640 /nfs/dbraw/zinc/08/76/40/1289087640.db2.gz IHHOKDMGTUBMHF-MNOVXSKESA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609316639 1289087644 /nfs/dbraw/zinc/08/76/44/1289087644.db2.gz IHHOKDMGTUBMHF-MNOVXSKESA-N -2 3 367.431 0.731 20 0 FCADHL COCC1(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001609318526 1289091845 /nfs/dbraw/zinc/09/18/45/1289091845.db2.gz CAGVHJSYGWRVPM-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL COCC1(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001609318526 1289091848 /nfs/dbraw/zinc/09/18/48/1289091848.db2.gz CAGVHJSYGWRVPM-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC001609318902 1289092023 /nfs/dbraw/zinc/09/20/23/1289092023.db2.gz UGYCYUPZDDDNMF-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC001609318902 1289092029 /nfs/dbraw/zinc/09/20/29/1289092029.db2.gz UGYCYUPZDDDNMF-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL O=C([O-])[C@H](CCF)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001601410005 1286741372 /nfs/dbraw/zinc/74/13/72/1286741372.db2.gz AEMRYHIEWDOKIW-NSHDSACASA-N -2 3 362.354 0.809 20 0 FCADHL O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1ccc(O)cc1[O-])CCS2(=O)=O ZINC001601443899 1286751468 /nfs/dbraw/zinc/75/14/68/1286751468.db2.gz NPMOCUYKPIYVNI-MAXPVNGDSA-N -2 3 369.395 0.638 20 0 FCADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCOC1 ZINC001601711408 1286811588 /nfs/dbraw/zinc/81/15/88/1286811588.db2.gz RHZSHXPQMJJNSO-NSHDSACASA-N -2 3 354.306 0.870 20 0 FCADHL COCc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)co1 ZINC001609331464 1289103020 /nfs/dbraw/zinc/10/30/20/1289103020.db2.gz LRXGSKYWIUXMPH-UHFFFAOYSA-N -2 3 364.343 0.120 20 0 FCADHL COCc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)co1 ZINC001609331464 1289103022 /nfs/dbraw/zinc/10/30/22/1289103022.db2.gz LRXGSKYWIUXMPH-UHFFFAOYSA-N -2 3 364.343 0.120 20 0 FCADHL O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001601757387 1286824559 /nfs/dbraw/zinc/82/45/59/1286824559.db2.gz GXYGALUALDOTLI-YPMHNXCESA-N -2 3 352.293 0.856 20 0 FCADHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001601871753 1286860416 /nfs/dbraw/zinc/86/04/16/1286860416.db2.gz ZWCWIQDDIBFORF-OWOJBTEDSA-N -3 3 354.134 0.659 20 0 FCADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccn1 ZINC001601908584 1286866219 /nfs/dbraw/zinc/86/62/19/1286866219.db2.gz HOBXEHYYGQVABA-QMMMGPOBSA-N -3 3 357.369 0.731 20 0 FCADHL O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001601912716 1286868669 /nfs/dbraw/zinc/86/86/69/1286868669.db2.gz LUCPQEIIQQHRGX-ZCFIWIBFSA-N -2 3 361.269 0.838 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CC(=O)[O-])CC(C)C ZINC001609338950 1289108788 /nfs/dbraw/zinc/10/87/88/1289108788.db2.gz YEMGJXZATPOJRI-UHFFFAOYSA-N -2 3 369.403 0.607 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CC(=O)[O-])CC(C)C ZINC001609338950 1289108789 /nfs/dbraw/zinc/10/87/89/1289108789.db2.gz YEMGJXZATPOJRI-UHFFFAOYSA-N -2 3 369.403 0.607 20 0 FCADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NC34CCN(CC3)C4)cc2)[n-]1 ZINC001602117385 1286940107 /nfs/dbraw/zinc/94/01/07/1286940107.db2.gz NUHBJGBBAKLZNZ-UHFFFAOYSA-N -2 3 356.382 0.371 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c(F)cc1Cl ZINC001602293458 1286984491 /nfs/dbraw/zinc/98/44/91/1286984491.db2.gz BRVKEYPYMMLXET-GFCCVEGCSA-N -2 3 353.755 0.607 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2)C1 ZINC001602506590 1287017038 /nfs/dbraw/zinc/01/70/38/1287017038.db2.gz FVLNSEZNTLWLDM-LLVKDONJSA-N -2 3 350.400 0.913 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](O)Cc1cccc(Cl)c1 ZINC001602506986 1287018245 /nfs/dbraw/zinc/01/82/45/1287018245.db2.gz WIBDJZBCUKFOSV-JTQLQIEISA-N -2 3 359.791 0.643 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCC2(CCOCC2)CO1 ZINC001602506786 1287018444 /nfs/dbraw/zinc/01/84/44/1287018444.db2.gz QZKFBWIXUKCFEH-SNVBAGLBSA-N -2 3 359.404 0.362 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1cnc(Br)cn1 ZINC001602506944 1287018862 /nfs/dbraw/zinc/01/88/62/1287018862.db2.gz UODRUGLLJMEPHP-UHFFFAOYSA-N -2 3 362.165 0.139 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCOc1ccc2c(c1)OCO2 ZINC001602506803 1287019449 /nfs/dbraw/zinc/01/94/49/1287019449.db2.gz SDPUQVIGLHXXJZ-UHFFFAOYSA-N -2 3 355.328 0.194 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001602508097 1287019735 /nfs/dbraw/zinc/01/97/35/1287019735.db2.gz YVTRGXCUUBSPIN-QWRGUYRKSA-N -2 3 359.404 0.096 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(c3ncccn3)CCOCC2)c1 ZINC001602557162 1287025073 /nfs/dbraw/zinc/02/50/73/1287025073.db2.gz RJANUDGGUMGSHP-UHFFFAOYSA-N -2 3 353.356 0.752 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC001602556055 1287025558 /nfs/dbraw/zinc/02/55/58/1287025558.db2.gz CLJJALWBQWBQLU-QMMMGPOBSA-N -2 3 370.305 0.809 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC(=O)N2CCOc3ccccc32)c1 ZINC001602556980 1287026349 /nfs/dbraw/zinc/02/63/49/1287026349.db2.gz NQVJRWAWGZUIKM-UHFFFAOYSA-N -2 3 366.351 0.682 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001602583825 1287030869 /nfs/dbraw/zinc/03/08/69/1287030869.db2.gz ZTEZHVALEOKUNO-UHFFFAOYSA-N -2 3 356.385 0.693 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)C1CCN(C2CC2)CC1 ZINC001602583218 1287030931 /nfs/dbraw/zinc/03/09/31/1287030931.db2.gz MNJBBHJNGRDLTO-UHFFFAOYSA-N -2 3 359.429 0.521 20 0 FCADHL O=C([O-])C(F)=C(Nc1cccnc1Cl)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602655980 1287051877 /nfs/dbraw/zinc/05/18/77/1287051877.db2.gz JLPPODGCGVHLEJ-LURJTMIESA-N -3 3 358.738 0.355 20 0 FCADHL O=C([O-])[C@]12CN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C[C@H]1COCC2 ZINC001602655326 1287052372 /nfs/dbraw/zinc/05/23/72/1287052372.db2.gz DBAREFOWQCEMQV-HUTHGQBESA-N -2 3 359.338 0.525 20 0 FCADHL O=C([O-])C(F)=C(NCc1ccc(Cl)cc1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602655551 1287052787 /nfs/dbraw/zinc/05/27/87/1287052787.db2.gz DOKOYTGMBRPSHL-VIFPVBQESA-N -3 3 371.777 0.637 20 0 FCADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)[N-]OCC(C)(C)O ZINC001609378222 1289130043 /nfs/dbraw/zinc/13/00/43/1289130043.db2.gz QAPDEWPNUQBYDN-UHFFFAOYSA-N -2 3 350.379 0.335 20 0 FCADHL COC(=O)[C@@H](C)CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001604903330 1287812950 /nfs/dbraw/zinc/81/29/50/1287812950.db2.gz XBKHOCQZLCRKPY-VIFPVBQESA-N -2 3 372.389 0.389 20 0 FCADHL COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001604989976 1287827186 /nfs/dbraw/zinc/82/71/86/1287827186.db2.gz CRHIJLOGWNWDNK-UHFFFAOYSA-N -2 3 350.316 0.442 20 0 FCADHL COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001604989976 1287827194 /nfs/dbraw/zinc/82/71/94/1287827194.db2.gz CRHIJLOGWNWDNK-UHFFFAOYSA-N -2 3 350.316 0.442 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001605052407 1287856720 /nfs/dbraw/zinc/85/67/20/1287856720.db2.gz ZCODGEXEVJBUTH-VIFPVBQESA-N -2 3 369.403 0.353 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001605052407 1287856721 /nfs/dbraw/zinc/85/67/21/1287856721.db2.gz ZCODGEXEVJBUTH-VIFPVBQESA-N -2 3 369.403 0.353 20 0 FCADHL CC[C@@](COC)([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)[O-] ZINC001605056521 1287859394 /nfs/dbraw/zinc/85/93/94/1287859394.db2.gz LYWDPKFSRUZWDR-JTQLQIEISA-N -2 3 370.225 0.341 20 0 FCADHL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001605094149 1287878782 /nfs/dbraw/zinc/87/87/82/1287878782.db2.gz WKYHELHQBGDNBY-QMMMGPOBSA-N -2 3 373.366 0.116 20 0 FCADHL COc1cc(F)c(S(=O)(=O)[N-]c2c(-c3nnn[n-]3)cnn2C)c(F)c1 ZINC001605224902 1287913358 /nfs/dbraw/zinc/91/33/58/1287913358.db2.gz YOXJDKJMSCBWNU-UHFFFAOYSA-N -2 3 371.329 0.688 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001609416794 1289143068 /nfs/dbraw/zinc/14/30/68/1289143068.db2.gz LNZIUHDRQGXIOZ-BXKDBHETSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001609416794 1289143074 /nfs/dbraw/zinc/14/30/74/1289143074.db2.gz LNZIUHDRQGXIOZ-BXKDBHETSA-N -2 3 365.415 0.906 20 0 FCADHL CCOC(=O)[C@@H](CC=C(C)C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001605508808 1287986442 /nfs/dbraw/zinc/98/64/42/1287986442.db2.gz NFAJHKLCDMAPKR-SNVBAGLBSA-N -2 3 359.404 0.983 20 0 FCADHL CCOC(=O)[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCOC1 ZINC001605520891 1287987287 /nfs/dbraw/zinc/98/72/87/1287987287.db2.gz UTXAJTCYPWXVJQ-CQSZACIVSA-N -2 3 361.372 0.616 20 0 FCADHL Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609439620 1289151306 /nfs/dbraw/zinc/15/13/06/1289151306.db2.gz SOGORVPJLNRPJE-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609439620 1289151308 /nfs/dbraw/zinc/15/13/08/1289151308.db2.gz SOGORVPJLNRPJE-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccncn1 ZINC001605801992 1288089490 /nfs/dbraw/zinc/08/94/90/1288089490.db2.gz PPFRCKKISXDSLD-SNAWJCMRSA-N -2 3 371.382 0.483 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccncn1 ZINC001605801992 1288089495 /nfs/dbraw/zinc/08/94/95/1288089495.db2.gz PPFRCKKISXDSLD-SNAWJCMRSA-N -2 3 371.382 0.483 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001605801719 1288090434 /nfs/dbraw/zinc/09/04/34/1288090434.db2.gz IPWHXLYMQWLGQF-CQSZACIVSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001605801719 1288090437 /nfs/dbraw/zinc/09/04/37/1288090437.db2.gz IPWHXLYMQWLGQF-CQSZACIVSA-N -2 3 351.388 0.660 20 0 FCADHL CN(C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605954319 1288112717 /nfs/dbraw/zinc/11/27/17/1288112717.db2.gz JTEFZSZWDHERGR-WVSHTKLVSA-N -2 3 361.329 0.809 20 0 FCADHL Cc1ncc(S(=O)(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001606091781 1288160685 /nfs/dbraw/zinc/16/06/85/1288160685.db2.gz RMMFYTDXLKUMTF-JTQLQIEISA-N -2 3 368.419 0.595 20 0 FCADHL Cc1ncc(S(=O)(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001606091781 1288160687 /nfs/dbraw/zinc/16/06/87/1288160687.db2.gz RMMFYTDXLKUMTF-JTQLQIEISA-N -2 3 368.419 0.595 20 0 FCADHL Cn1[n-]cc2c(=NS(=O)(=O)c3ccc(-c4nnn[n-]4)c(F)c3)ccnc1-2 ZINC001606202745 1288209634 /nfs/dbraw/zinc/20/96/34/1288209634.db2.gz KRZCKTWADOXFHE-UHFFFAOYSA-N -2 3 374.361 0.462 20 0 FCADHL Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001606242040 1288230043 /nfs/dbraw/zinc/23/00/43/1288230043.db2.gz GYIJULSZVLDWSG-UHFFFAOYSA-N -2 3 366.790 0.977 20 0 FCADHL Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001606242040 1288230050 /nfs/dbraw/zinc/23/00/50/1288230050.db2.gz GYIJULSZVLDWSG-UHFFFAOYSA-N -2 3 366.790 0.977 20 0 FCADHL Cc1nsc(NC(=O)NCC2(C(=O)[O-])CCOCC2)c1-c1nnn[n-]1 ZINC001609465841 1289165950 /nfs/dbraw/zinc/16/59/50/1289165950.db2.gz SGMVUXKPMAVXPK-UHFFFAOYSA-N -2 3 367.391 0.635 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c(C)o1 ZINC001606303523 1288260314 /nfs/dbraw/zinc/26/03/14/1288260314.db2.gz HWXPEMPQBTUXBY-DMWPJOQESA-N -2 3 356.400 0.725 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC001606342528 1288264215 /nfs/dbraw/zinc/26/42/15/1288264215.db2.gz NZYBKYZZCAMBMI-DMDPSCGWSA-N -2 3 351.421 0.517 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)CCSCC1 ZINC001606353961 1288269379 /nfs/dbraw/zinc/26/93/79/1288269379.db2.gz JBDJSQLMCMAUEO-UHFFFAOYSA-N -2 3 351.446 0.600 20 0 FCADHL NC(=O)COc1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001606417040 1288299518 /nfs/dbraw/zinc/29/95/18/1288299518.db2.gz LAGCYDAQVPGNDN-UHFFFAOYSA-N -2 3 374.382 0.532 20 0 FCADHL NC(=O)COc1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001606417040 1288299521 /nfs/dbraw/zinc/29/95/21/1288299521.db2.gz LAGCYDAQVPGNDN-UHFFFAOYSA-N -2 3 374.382 0.532 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCSC1 ZINC001606637089 1288419282 /nfs/dbraw/zinc/41/92/82/1288419282.db2.gz UHONZIFRRZENRN-SNVBAGLBSA-N -2 3 352.415 0.168 20 0 FCADHL COC(=O)c1sc2[n-]c(CN3C[C@H](O)C[C@@H]3C(=O)[O-])nc(=O)c2c1C ZINC001606643936 1288422234 /nfs/dbraw/zinc/42/22/34/1288422234.db2.gz RLUCUFWBDDZPMQ-HTQZYQBOSA-N -2 3 367.383 0.099 20 0 FCADHL COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606804691 1288525881 /nfs/dbraw/zinc/52/58/81/1288525881.db2.gz DBJHDLWGPPAGMJ-GFCCVEGCSA-N -2 3 353.400 0.952 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001606863386 1288542447 /nfs/dbraw/zinc/54/24/47/1288542447.db2.gz XVSUPAHFDJYMGP-MRVPVSSYSA-N -2 3 350.310 0.029 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001606863386 1288542448 /nfs/dbraw/zinc/54/24/48/1288542448.db2.gz XVSUPAHFDJYMGP-MRVPVSSYSA-N -2 3 350.310 0.029 20 0 FCADHL O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001606883002 1288546739 /nfs/dbraw/zinc/54/67/39/1288546739.db2.gz KZYQIJJZGMEOCT-BETUJISGSA-N -2 3 371.401 0.562 20 0 FCADHL O=C([O-])CCN(C1CC1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001606957323 1288574443 /nfs/dbraw/zinc/57/44/43/1288574443.db2.gz CBJWEELHFDGCBS-UHFFFAOYSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CCC1 ZINC001606957403 1288574500 /nfs/dbraw/zinc/57/45/00/1288574500.db2.gz BBZJRSBSYUBLJX-NSHDSACASA-N -2 3 369.378 0.785 20 0 FCADHL O=C([O-])[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CCC1 ZINC001606957403 1288574501 /nfs/dbraw/zinc/57/45/01/1288574501.db2.gz BBZJRSBSYUBLJX-NSHDSACASA-N -2 3 369.378 0.785 20 0 FCADHL O=C([O-])[C@H](NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001606957327 1288574559 /nfs/dbraw/zinc/57/45/59/1288574559.db2.gz ABFURXMAGQWERK-GFCCVEGCSA-N -2 3 351.388 0.539 20 0 FCADHL O=C([O-])COCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001606957371 1288574609 /nfs/dbraw/zinc/57/46/09/1288574609.db2.gz CUJZRJXOXOWUHN-UHFFFAOYSA-N -2 3 361.358 0.090 20 0 FCADHL O=C([O-])COCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001606957371 1288574610 /nfs/dbraw/zinc/57/46/10/1288574610.db2.gz CUJZRJXOXOWUHN-UHFFFAOYSA-N -2 3 361.358 0.090 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001606957329 1288574640 /nfs/dbraw/zinc/57/46/40/1288574640.db2.gz ABFURXMAGQWERK-LBPRGKRZSA-N -2 3 351.388 0.539 20 0 FCADHL O=C([O-])CCC12CC(C1)CN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606959993 1288575705 /nfs/dbraw/zinc/57/57/05/1288575705.db2.gz FKWGLFSYBQVGKV-UHFFFAOYSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])CCC12CC(C1)CN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606959993 1288575710 /nfs/dbraw/zinc/57/57/10/1288575710.db2.gz FKWGLFSYBQVGKV-UHFFFAOYSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606960047 1288575785 /nfs/dbraw/zinc/57/57/85/1288575785.db2.gz OUINONGMFBXWGI-LDYMZIIASA-N -2 3 367.362 0.455 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001606960047 1288575787 /nfs/dbraw/zinc/57/57/87/1288575787.db2.gz OUINONGMFBXWGI-LDYMZIIASA-N -2 3 367.362 0.455 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(c1cc(-c3nnn[n-]3)c3ccccc3n1)C2 ZINC001606962123 1288577709 /nfs/dbraw/zinc/57/77/09/1288577709.db2.gz FNDLMINASPUKBG-BMLIUANNSA-N -2 3 352.354 0.952 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(c1cc(-c3nn[n-]n3)c3ccccc3n1)C2 ZINC001606962123 1288577711 /nfs/dbraw/zinc/57/77/11/1288577711.db2.gz FNDLMINASPUKBG-BMLIUANNSA-N -2 3 352.354 0.952 20 0 FCADHL O=C([O-])[C@@H]1CSCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001606962075 1288577893 /nfs/dbraw/zinc/57/78/93/1288577893.db2.gz CCQVZKWTAPCQRS-JTQLQIEISA-N -2 3 355.401 0.156 20 0 FCADHL O=C([O-])[C@@H]1CSCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001606962075 1288577897 /nfs/dbraw/zinc/57/78/97/1288577897.db2.gz CCQVZKWTAPCQRS-JTQLQIEISA-N -2 3 355.401 0.156 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(c1nc3ncccc3cc1-c1nnn[n-]1)C2 ZINC001606962408 1288578027 /nfs/dbraw/zinc/57/80/27/1288578027.db2.gz UTXXLSRKDJARTA-QLJPJBMISA-N -2 3 353.342 0.347 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(c1nc3ncccc3cc1-c1nn[n-]n1)C2 ZINC001606962408 1288578034 /nfs/dbraw/zinc/57/80/34/1288578034.db2.gz UTXXLSRKDJARTA-QLJPJBMISA-N -2 3 353.342 0.347 20 0 FCADHL O=S(=O)([N-][C@H](CCO)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC001607063810 1288635860 /nfs/dbraw/zinc/63/58/60/1288635860.db2.gz QIMSRCPCELMDRX-SECBINFHSA-N -2 3 369.300 0.597 20 0 FCADHL O=S(=O)([N-]c1ncnn1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001607070037 1288641470 /nfs/dbraw/zinc/64/14/70/1288641470.db2.gz RMJBGAFSRCMVLR-UHFFFAOYSA-N -2 3 368.382 0.670 20 0 FCADHL O=S(=O)([N-]c1ncnn1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001607070037 1288641472 /nfs/dbraw/zinc/64/14/72/1288641472.db2.gz RMJBGAFSRCMVLR-UHFFFAOYSA-N -2 3 368.382 0.670 20 0 FCADHL O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001607068935 1288641507 /nfs/dbraw/zinc/64/15/07/1288641507.db2.gz JMFHVBHRKRJNNE-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=c1cc(Cn2c3c(cc(-c4nnn[n-]4)c2=O)CCC3)nc(C2CC2)[n-]1 ZINC001607088798 1288657089 /nfs/dbraw/zinc/65/70/89/1288657089.db2.gz BMWMRWFLNWLWQI-UHFFFAOYSA-N -2 3 351.370 0.938 20 0 FCADHL O=c1cc(CSc2nnc3ccccn32)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607111588 1288668325 /nfs/dbraw/zinc/66/83/25/1288668325.db2.gz WZMQZWDYBYLJHS-UHFFFAOYSA-N -2 3 366.370 0.950 20 0 FCADHL Cc1cc(N2CCC([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)CC2)n[nH]1 ZINC001607670092 1288731553 /nfs/dbraw/zinc/73/15/53/1288731553.db2.gz SHUQGYCHVHYRLM-UHFFFAOYSA-N -2 3 354.388 0.957 20 0 FCADHL Cn1cc(S(=O)(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1C(=O)[O-] ZINC001608121501 1288774046 /nfs/dbraw/zinc/77/40/46/1288774046.db2.gz GJYFIPHTTIHJPO-UHFFFAOYSA-N -2 3 366.399 0.965 20 0 FCADHL Cn1cnnc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001608138296 1288779185 /nfs/dbraw/zinc/77/91/85/1288779185.db2.gz FOFCBQNMTBLGMA-SNVBAGLBSA-N -2 3 360.779 0.179 20 0 FCADHL Cn1nccc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])CCO1 ZINC001608162149 1288784512 /nfs/dbraw/zinc/78/45/12/1288784512.db2.gz GCVPRVNPTNCUPM-SKDRFNHKSA-N -2 3 355.372 0.910 20 0 FCADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-])c1ccccn1 ZINC001608227817 1288793749 /nfs/dbraw/zinc/79/37/49/1288793749.db2.gz FHTUBFLLVMOKLU-LBPRGKRZSA-N -2 3 353.331 0.424 20 0 FCADHL NC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1 ZINC001608240596 1288801379 /nfs/dbraw/zinc/80/13/79/1288801379.db2.gz IZGCWESTFBIYMP-KBTIHESUSA-N -2 3 350.755 0.720 20 0 FCADHL O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC001608415801 1288839839 /nfs/dbraw/zinc/83/98/39/1288839839.db2.gz QHUCYALEGXOEFL-CQSZACIVSA-N -2 3 360.288 0.988 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCN([C@@H]3CCCC[C@H]3O)CC2)on1 ZINC001608860539 1288878052 /nfs/dbraw/zinc/87/80/52/1288878052.db2.gz PPTKLVHNRLLJES-CHWSQXEVSA-N -2 3 373.431 0.419 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001609071873 1288904615 /nfs/dbraw/zinc/90/46/15/1288904615.db2.gz TXHIOWNWTMUSNS-MRVPVSSYSA-N -2 3 369.378 0.488 20 0 FCADHL C[C@@H](CCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001609110479 1288924058 /nfs/dbraw/zinc/92/40/58/1288924058.db2.gz TZGVZWHWQSNKGX-QMMMGPOBSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609110804 1288924771 /nfs/dbraw/zinc/92/47/71/1288924771.db2.gz VNWHAUZLWKBLTL-LURJTMIESA-N -3 3 361.330 0.677 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H](C)C(=O)[O-] ZINC001609125530 1288931858 /nfs/dbraw/zinc/93/18/58/1288931858.db2.gz DLFOKEUXMRZZMZ-WDSKDSINSA-N -3 3 361.330 0.532 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]OC1CCC1 ZINC001609125870 1288934898 /nfs/dbraw/zinc/93/48/98/1288934898.db2.gz UOPRUMIWLOHCNL-SECBINFHSA-N -2 3 366.403 0.134 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]OC1CCC1 ZINC001609125870 1288934902 /nfs/dbraw/zinc/93/49/02/1288934902.db2.gz UOPRUMIWLOHCNL-SECBINFHSA-N -2 3 366.403 0.134 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCCO1 ZINC001609142667 1288944994 /nfs/dbraw/zinc/94/49/94/1288944994.db2.gz HVTHXYNULHMJPJ-AWEZNQCLSA-N -2 3 351.388 0.631 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCCO1 ZINC001609142667 1288944998 /nfs/dbraw/zinc/94/49/98/1288944998.db2.gz HVTHXYNULHMJPJ-AWEZNQCLSA-N -2 3 351.388 0.631 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCOC1 ZINC001609142823 1288945509 /nfs/dbraw/zinc/94/55/09/1288945509.db2.gz NMBQZGKHEBGFLC-CQSZACIVSA-N -2 3 351.388 0.239 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCOC1 ZINC001609142823 1288945514 /nfs/dbraw/zinc/94/55/14/1288945514.db2.gz NMBQZGKHEBGFLC-CQSZACIVSA-N -2 3 351.388 0.239 20 0 FCADHL CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609144816 1288946939 /nfs/dbraw/zinc/94/69/39/1288946939.db2.gz OLRCTQHXJKASCC-LLVKDONJSA-N -2 3 351.388 0.883 20 0 FCADHL CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609144816 1288946942 /nfs/dbraw/zinc/94/69/42/1288946942.db2.gz OLRCTQHXJKASCC-LLVKDONJSA-N -2 3 351.388 0.883 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H](C(=O)[O-])CO1 ZINC001609147561 1288947999 /nfs/dbraw/zinc/94/79/99/1288947999.db2.gz YLDJIYVGDIICSE-LLVKDONJSA-N -2 3 367.387 0.119 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](C(=O)[O-])CO1 ZINC001609147561 1288948002 /nfs/dbraw/zinc/94/80/02/1288948002.db2.gz YLDJIYVGDIICSE-LLVKDONJSA-N -2 3 367.387 0.119 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609153486 1288953397 /nfs/dbraw/zinc/95/33/97/1288953397.db2.gz VPRHZAOZOJCFKX-POYBYMJQSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609153486 1288953400 /nfs/dbraw/zinc/95/34/00/1288953400.db2.gz VPRHZAOZOJCFKX-POYBYMJQSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC001609155935 1288954565 /nfs/dbraw/zinc/95/45/65/1288954565.db2.gz XQLYZNBHPUBPAK-UWVGGRQHSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC001609155935 1288954570 /nfs/dbraw/zinc/95/45/70/1288954570.db2.gz XQLYZNBHPUBPAK-UWVGGRQHSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001609155541 1288954979 /nfs/dbraw/zinc/95/49/79/1288954979.db2.gz PFWDXZMKVGPMLL-SKDRFNHKSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001609155541 1288954980 /nfs/dbraw/zinc/95/49/80/1288954980.db2.gz PFWDXZMKVGPMLL-SKDRFNHKSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001609161356 1288959199 /nfs/dbraw/zinc/95/91/99/1288959199.db2.gz SVOYNLXGFVVVLE-UWVGGRQHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001609161356 1288959203 /nfs/dbraw/zinc/95/92/03/1288959203.db2.gz SVOYNLXGFVVVLE-UWVGGRQHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001609168471 1288961541 /nfs/dbraw/zinc/96/15/41/1288961541.db2.gz CIGOQYYBCFQQHG-KOLCDFICSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001609168471 1288961543 /nfs/dbraw/zinc/96/15/43/1288961543.db2.gz CIGOQYYBCFQQHG-KOLCDFICSA-N -2 3 351.388 0.598 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001609189716 1288978553 /nfs/dbraw/zinc/97/85/53/1288978553.db2.gz WWINJUGWNWFIOE-QMMMGPOBSA-N -2 3 357.367 0.785 20 0 FCADHL CCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC001609216733 1288992158 /nfs/dbraw/zinc/99/21/58/1288992158.db2.gz DUTOSOZDZBVJND-UHFFFAOYSA-N -2 3 364.362 0.288 20 0 FCADHL CCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC001609216733 1288992165 /nfs/dbraw/zinc/99/21/65/1288992165.db2.gz DUTOSOZDZBVJND-UHFFFAOYSA-N -2 3 364.362 0.288 20 0 FCADHL NC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001609504437 1289185672 /nfs/dbraw/zinc/18/56/72/1289185672.db2.gz UIIMVAUSDUYTFE-UHFFFAOYSA-N -2 3 360.359 0.553 20 0 FCADHL NC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001609504437 1289185675 /nfs/dbraw/zinc/18/56/75/1289185675.db2.gz UIIMVAUSDUYTFE-UHFFFAOYSA-N -2 3 360.359 0.553 20 0 FCADHL O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609518057 1289191133 /nfs/dbraw/zinc/19/11/33/1289191133.db2.gz ZYVXEXKZPVORES-SREVYHEPSA-N -2 3 356.367 0.780 20 0 FCADHL O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609518057 1289191137 /nfs/dbraw/zinc/19/11/37/1289191137.db2.gz ZYVXEXKZPVORES-SREVYHEPSA-N -2 3 356.367 0.780 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609520545 1289191519 /nfs/dbraw/zinc/19/15/19/1289191519.db2.gz ZCPCURMLZVAEHX-SNVBAGLBSA-N -2 3 352.376 0.026 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609520545 1289191520 /nfs/dbraw/zinc/19/15/20/1289191520.db2.gz ZCPCURMLZVAEHX-SNVBAGLBSA-N -2 3 352.376 0.026 20 0 FCADHL O=C([N-]OCCC(F)(F)F)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001609555757 1289222559 /nfs/dbraw/zinc/22/25/59/1289222559.db2.gz PSWQZSYXEGWOBP-UHFFFAOYSA-N -2 3 358.280 0.483 20 0 FCADHL O=C([N-]OCCC(F)(F)F)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001609555757 1289222564 /nfs/dbraw/zinc/22/25/64/1289222564.db2.gz PSWQZSYXEGWOBP-UHFFFAOYSA-N -2 3 358.280 0.483 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCOCC1 ZINC001609559979 1289224972 /nfs/dbraw/zinc/22/49/72/1289224972.db2.gz OEOHKVQYLXPTHP-GFCCVEGCSA-N -2 3 365.415 0.629 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCOCC1 ZINC001609559979 1289224979 /nfs/dbraw/zinc/22/49/79/1289224979.db2.gz OEOHKVQYLXPTHP-GFCCVEGCSA-N -2 3 365.415 0.629 20 0 FCADHL O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC001609572100 1289233916 /nfs/dbraw/zinc/23/39/16/1289233916.db2.gz YXNPKRQPGJDBJH-WDEREUQCSA-N -2 3 351.750 0.769 20 0 FCADHL O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC001609572100 1289233923 /nfs/dbraw/zinc/23/39/23/1289233923.db2.gz YXNPKRQPGJDBJH-WDEREUQCSA-N -2 3 351.750 0.769 20 0 FCADHL O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001609571834 1289234089 /nfs/dbraw/zinc/23/40/89/1289234089.db2.gz UHLXDCFZGQKKIG-VIFPVBQESA-N -2 3 355.351 0.491 20 0 FCADHL O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001609571834 1289234095 /nfs/dbraw/zinc/23/40/95/1289234095.db2.gz UHLXDCFZGQKKIG-VIFPVBQESA-N -2 3 355.351 0.491 20 0 FCADHL O=S(=O)([N-]c1ncn(CC(F)(F)F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609596539 1289253856 /nfs/dbraw/zinc/25/38/56/1289253856.db2.gz RUGINLCRNMPGPM-UHFFFAOYSA-N -2 3 374.308 0.821 20 0 FCADHL O=S(=O)([N-]c1ncn(CC(F)(F)F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609596539 1289253860 /nfs/dbraw/zinc/25/38/60/1289253860.db2.gz RUGINLCRNMPGPM-UHFFFAOYSA-N -2 3 374.308 0.821 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ncccc2-c2nnn[n-]2)c1)c1cccnc1 ZINC001609596515 1289253902 /nfs/dbraw/zinc/25/39/02/1289253902.db2.gz OTADZTBXDSUUHU-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ncccc2-c2nn[n-]n2)c1)c1cccnc1 ZINC001609596515 1289253907 /nfs/dbraw/zinc/25/39/07/1289253907.db2.gz OTADZTBXDSUUHU-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1ncccc1-c1nnn[n-]1)c1cnn(CC(F)F)c1 ZINC001609596452 1289254423 /nfs/dbraw/zinc/25/44/23/1289254423.db2.gz KXIZWUIXQCVEAP-UHFFFAOYSA-N -2 3 356.318 0.524 20 0 FCADHL O=S(=O)([N-]c1ncccc1-c1nn[n-]n1)c1cnn(CC(F)F)c1 ZINC001609596452 1289254429 /nfs/dbraw/zinc/25/44/29/1289254429.db2.gz KXIZWUIXQCVEAP-UHFFFAOYSA-N -2 3 356.318 0.524 20 0 FCADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1nc(C(=O)[O-])cs1 ZINC001609654365 1289274214 /nfs/dbraw/zinc/27/42/14/1289274214.db2.gz RZKZJMYTWICQPI-VIFPVBQESA-N -2 3 350.418 0.848 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc1F ZINC001609658228 1289274627 /nfs/dbraw/zinc/27/46/27/1289274627.db2.gz GRVVUVQFGUCHEU-JTQLQIEISA-N -2 3 362.379 0.078 20 0 FCADHL CC[C@](COC)([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-] ZINC001609926726 1289330640 /nfs/dbraw/zinc/33/06/40/1289330640.db2.gz WMXCXZGYLNWARB-CYBMUJFWSA-N -2 3 362.335 0.418 20 0 FCADHL CN(C)CCn1nccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001610101355 1289372228 /nfs/dbraw/zinc/37/22/28/1289372228.db2.gz NRRAPVWBUUHRAM-UHFFFAOYSA-N -2 3 352.416 0.873 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C)o1 ZINC001610149089 1289399269 /nfs/dbraw/zinc/39/92/69/1289399269.db2.gz ZGCVFGQOLJMMGV-SNVBAGLBSA-N -2 3 373.431 0.117 20 0 FCADHL COC[C@H](O)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001610267760 1289446395 /nfs/dbraw/zinc/44/63/95/1289446395.db2.gz BEZNOFJHFGRJAG-RXMQYKEDSA-N -2 3 374.234 0.494 20 0 FCADHL COc1ccc(C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)c([O-])c1 ZINC001610313344 1289458980 /nfs/dbraw/zinc/45/89/80/1289458980.db2.gz FMCUIPPQHKPGKK-UHFFFAOYSA-N -2 3 357.384 0.553 20 0 FCADHL COc1cccc([C@H](O)C[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001610355896 1289469127 /nfs/dbraw/zinc/46/91/27/1289469127.db2.gz XPPOYXJRNNCWNP-SNVBAGLBSA-N -2 3 358.397 0.862 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)c2noc(CN(C)C)n2)cc1C(=O)[O-] ZINC001610587041 1289518057 /nfs/dbraw/zinc/51/80/57/1289518057.db2.gz UQGHKVZCKJIOFB-UHFFFAOYSA-N -2 3 372.403 0.944 20 0 FCADHL O=C([O-])C(=O)CCCOC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001610665253 1289547427 /nfs/dbraw/zinc/54/74/27/1289547427.db2.gz CCUCCIGQKOXKGV-UHFFFAOYSA-N -2 3 369.804 0.657 20 0 FCADHL O=C([O-])[C@H]1CNCCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC001610748025 1289577215 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0.858 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143676782 849497562 /nfs/dbraw/zinc/49/75/62/849497562.db2.gz OMTWOZDZKGJPLO-GJZGRUSLSA-N -2 3 356.359 0.696 20 0 FCADHL CSc1n[nH]c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1C(N)=O ZINC001148916740 849620673 /nfs/dbraw/zinc/62/06/73/849620673.db2.gz DWWUXMJTVRFBKF-UHFFFAOYSA-N -2 3 372.384 0.435 20 0 FCADHL COC(=O)c1nc2nc(NC(=N)SCCS(=O)(=O)[O-])ccc2[n-]1 ZINC001168092739 850570946 /nfs/dbraw/zinc/57/09/46/850570946.db2.gz GMBPLWSFUJWYNL-UHFFFAOYSA-N -2 3 359.389 0.712 20 0 FCADHL COC(=O)c1nc2ccc(NC(=N)SCCS(=O)(=O)[O-])nc2[n-]1 ZINC001168092739 850570953 /nfs/dbraw/zinc/57/09/53/850570953.db2.gz GMBPLWSFUJWYNL-UHFFFAOYSA-N -2 3 359.389 0.712 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)o1 ZINC001175553499 850767716 /nfs/dbraw/zinc/76/77/16/850767716.db2.gz XGJSNEBVOAZWRP-VIFPVBQESA-N -2 3 368.419 0.499 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)o1 ZINC001175553499 850767720 /nfs/dbraw/zinc/76/77/20/850767720.db2.gz XGJSNEBVOAZWRP-VIFPVBQESA-N -2 3 368.419 0.499 20 0 FCADHL COC(=O)c1ncsc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185567932 851363565 /nfs/dbraw/zinc/36/35/65/851363565.db2.gz KJZGQFRITNTIKJ-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COC(=O)c1ncsc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567932 851363575 /nfs/dbraw/zinc/36/35/75/851363575.db2.gz KJZGQFRITNTIKJ-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL CCN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185568425 851363614 /nfs/dbraw/zinc/36/36/14/851363614.db2.gz ULIVYLYPYQJQRV-UHFFFAOYSA-N -2 3 360.403 0.914 20 0 FCADHL CCN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185568425 851363619 /nfs/dbraw/zinc/36/36/19/851363619.db2.gz ULIVYLYPYQJQRV-UHFFFAOYSA-N -2 3 360.403 0.914 20 0 FCADHL Cc1nc(Cl)c(NC(=O)CN(C)C(N)=NP(=O)([O-])[O-])c(Cl)n1 ZINC001185654977 851376834 /nfs/dbraw/zinc/37/68/34/851376834.db2.gz YCDZMCGEEUPIIS-UHFFFAOYSA-N -2 3 371.121 0.579 20 0 FCADHL CC(=O)Nc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc1Cl ZINC001186117513 851412328 /nfs/dbraw/zinc/41/23/28/851412328.db2.gz MNMVIJCQAJWAAR-UHFFFAOYSA-N -2 3 356.724 0.754 20 0 FCADHL CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCCCCP(=O)([O-])[O-] ZINC001186934324 851490994 /nfs/dbraw/zinc/49/09/94/851490994.db2.gz FWQKEWYBPAXART-WDEREUQCSA-N -2 3 366.351 0.600 20 0 FCADHL COc1nc(S(=O)(=O)[N-]c2nc(N(C)C)[n-]c(=O)c2N=O)ccc1F ZINC001190066305 851856260 /nfs/dbraw/zinc/85/62/60/851856260.db2.gz KYPXNVDNLLEKEA-UHFFFAOYSA-N -2 3 372.338 0.990 20 0 FCADHL CCOC(=O)[C@@H](CCSC)NC(=O)NCCCCP(=O)([O-])[O-] ZINC001193265109 852400578 /nfs/dbraw/zinc/40/05/78/852400578.db2.gz KABOIQZOOYCUKF-SNVBAGLBSA-N -2 3 356.381 0.928 20 0 FCADHL CC(C)N1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1=O ZINC001195255297 852733011 /nfs/dbraw/zinc/73/30/11/852733011.db2.gz WJQHBZWQKJZTIP-MRVPVSSYSA-N -2 3 362.354 0.951 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)[C@H]2CCOC2)c(F)cc1F ZINC001195258313 852733054 /nfs/dbraw/zinc/73/30/54/852733054.db2.gz NTUDMZOPYWBYPQ-CPCISQLKSA-N -2 3 351.327 0.339 20 0 FCADHL CC1(C)O[C@H]2O[C@@H]3[C@H](OCCCCP(=O)([O-])[O-])C(=O)O[C@@H]3[C@H]2O1 ZINC001225019160 857013819 /nfs/dbraw/zinc/01/38/19/857013819.db2.gz SXZIVDCCFZOQNS-OFKSJOQMSA-N -2 3 352.276 0.131 20 0 FCADHL CC(C)OC(=O)C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(=O)OC(C)C ZINC001233933495 857393303 /nfs/dbraw/zinc/39/33/03/857393303.db2.gz CHNAICCHPWUVEB-SNVBAGLBSA-N -2 3 352.347 0.687 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCOCC2)c(F)cc1Cl ZINC001259212506 858248324 /nfs/dbraw/zinc/24/83/24/858248324.db2.gz PPFJZEVGOJEPBX-UHFFFAOYSA-N -2 3 366.798 0.788 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)[C@@H](C)O ZINC001259223493 858249623 /nfs/dbraw/zinc/24/96/23/858249623.db2.gz DFTDGEAZYLDVPS-GPXNAGAYSA-N -2 3 369.754 0.378 20 0 FCADHL O=c1nc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)[n-]o1 ZINC001261220476 858499084 /nfs/dbraw/zinc/49/90/84/858499084.db2.gz PAMDZZBZVBSJAE-UHFFFAOYSA-N -2 3 357.241 0.879 20 0 FCADHL O=C([O-])CN1CCC([N-]S(=O)(=O)c2ccc(Br)o2)CC1 ZINC001320567038 868203274 /nfs/dbraw/zinc/20/32/74/868203274.db2.gz CWDNLVNURRFNOX-UHFFFAOYSA-N -2 3 367.221 0.869 20 0 FCADHL CCOC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)c2nc(C)n[n-]2)c1C ZINC001322421934 868812814 /nfs/dbraw/zinc/81/28/14/868812814.db2.gz TVQKCYLWUAWTIO-UHFFFAOYSA-N -2 3 354.388 0.891 20 0 FCADHL O=c1nc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)[n-]o1 ZINC001347332691 872280795 /nfs/dbraw/zinc/28/07/95/872280795.db2.gz DHKMPTCZCAGTPM-UHFFFAOYSA-N -2 3 357.241 0.879 20 0 FCADHL COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826148709 947477871 /nfs/dbraw/zinc/47/78/71/947477871.db2.gz OYCFPYUUPSDYDH-MGPLVRAMSA-N -2 3 363.374 0.630 20 0 FCADHL COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826148709 947477876 /nfs/dbraw/zinc/47/78/76/947477876.db2.gz OYCFPYUUPSDYDH-MGPLVRAMSA-N -2 3 363.374 0.630 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc(=O)[nH]1 ZINC000826260353 947753002 /nfs/dbraw/zinc/75/30/02/947753002.db2.gz KFJHFQPKZNXJHC-UHFFFAOYSA-N -2 3 374.382 0.536 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc(=O)[nH]1 ZINC000826260353 947753016 /nfs/dbraw/zinc/75/30/16/947753016.db2.gz KFJHFQPKZNXJHC-UHFFFAOYSA-N -2 3 374.382 0.536 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCCc2ccccc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449739 948314220 /nfs/dbraw/zinc/31/42/20/948314220.db2.gz HZKFXKHJPDFVOW-UHFFFAOYSA-N -2 3 373.398 0.622 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCCc2ccccc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449739 948314230 /nfs/dbraw/zinc/31/42/30/948314230.db2.gz HZKFXKHJPDFVOW-UHFFFAOYSA-N -2 3 373.398 0.622 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450348 948316724 /nfs/dbraw/zinc/31/67/24/948316724.db2.gz ICKRXCVJASITCI-UHFFFAOYSA-N -2 3 374.382 0.639 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450348 948316732 /nfs/dbraw/zinc/31/67/32/948316732.db2.gz 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ZINC000769562261 601750745 /nfs/dbraw/zinc/75/07/45/601750745.db2.gz SUUPWSNVCQOOIT-SECBINFHSA-N -2 3 362.354 0.999 20 0 FCADHL Cc1ccc(C(=O)NCCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c([O-])c1 ZINC000832911643 601760198 /nfs/dbraw/zinc/76/01/98/601760198.db2.gz IJWVVDZCXMWHCX-LBPRGKRZSA-N -2 3 350.371 0.523 20 0 FCADHL O=C([O-])C1([N-]S(=O)(=O)c2cccnc2Cl)CCS(=O)(=O)CC1 ZINC000833177970 601809006 /nfs/dbraw/zinc/80/90/06/601809006.db2.gz UFMHMTTXRBJPMR-UHFFFAOYSA-N -2 3 368.820 0.045 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)n1 ZINC000826163772 607535621 /nfs/dbraw/zinc/53/56/21/607535621.db2.gz KOUUDZHDEAVLAB-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)n1 ZINC000826163772 607535623 /nfs/dbraw/zinc/53/56/23/607535623.db2.gz KOUUDZHDEAVLAB-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CC2 ZINC000831831992 601995290 /nfs/dbraw/zinc/99/52/90/601995290.db2.gz UAPZEYFGSKZYBL-MRVPVSSYSA-N -2 3 356.360 0.009 20 0 FCADHL CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826223806 607597990 /nfs/dbraw/zinc/59/79/90/607597990.db2.gz ASJBGERGVNGODB-UHFFFAOYSA-N -2 3 374.382 0.990 20 0 FCADHL CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826223806 607597992 /nfs/dbraw/zinc/59/79/92/607597992.db2.gz ASJBGERGVNGODB-UHFFFAOYSA-N -2 3 374.382 0.990 20 0 FCADHL CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824235179 607623291 /nfs/dbraw/zinc/62/32/91/607623291.db2.gz DSSZYZASZGRZLZ-VIFPVBQESA-N -2 3 361.374 0.830 20 0 FCADHL CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825060614 607636927 /nfs/dbraw/zinc/63/69/27/607636927.db2.gz RNMIRDNECVGLFY-WRWORJQWSA-N -2 3 361.374 0.830 20 0 FCADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCc1n[nH]c(=O)[n-]1 ZINC000822955412 606197566 /nfs/dbraw/zinc/19/75/66/606197566.db2.gz UHKAGMJVWVMNGI-UHFFFAOYSA-N -2 3 358.362 0.556 20 0 FCADHL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCc1n[nH]c(=O)[n-]1 ZINC000822955412 606197567 /nfs/dbraw/zinc/19/75/67/606197567.db2.gz UHKAGMJVWVMNGI-UHFFFAOYSA-N -2 3 358.362 0.556 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000822645728 606406254 /nfs/dbraw/zinc/40/62/54/606406254.db2.gz MEHUSQHYMXNELD-FPLPWBNLSA-N -2 3 358.383 0.936 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000822645728 606406256 /nfs/dbraw/zinc/40/62/56/606406256.db2.gz MEHUSQHYMXNELD-FPLPWBNLSA-N -2 3 358.383 0.936 20 0 FCADHL O=C(CCOCC1CC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822974494 606408328 /nfs/dbraw/zinc/40/83/28/606408328.db2.gz PMAQFTFJLONZLG-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CCOCC1CC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822974494 606408330 /nfs/dbraw/zinc/40/83/30/606408330.db2.gz PMAQFTFJLONZLG-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL Cc1ccc(-n2[n-]nnc2=NCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000822225068 606460848 /nfs/dbraw/zinc/46/08/48/606460848.db2.gz MVZDJHMYHNLBEC-UHFFFAOYSA-N -2 3 363.389 0.492 20 0 FCADHL Cc1ccc(-n2[n-]nnc2=NCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000822225068 606460850 /nfs/dbraw/zinc/46/08/50/606460850.db2.gz MVZDJHMYHNLBEC-UHFFFAOYSA-N -2 3 363.389 0.492 20 0 FCADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822227627 606709103 /nfs/dbraw/zinc/70/91/03/606709103.db2.gz PTSTWWYMJWLDPW-UHFFFAOYSA-N -3 3 363.359 0.408 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)N2CCc3ccccc3C2)n1 ZINC000822620200 606711449 /nfs/dbraw/zinc/71/14/49/606711449.db2.gz LKFKHGCEXLRCST-UHFFFAOYSA-N -2 3 360.403 0.315 20 0 FCADHL Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)N2CCc3ccccc3C2)n1 ZINC000822620200 606711450 /nfs/dbraw/zinc/71/14/50/606711450.db2.gz LKFKHGCEXLRCST-UHFFFAOYSA-N -2 3 360.403 0.315 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)COC1 ZINC000820944090 606745783 /nfs/dbraw/zinc/74/57/83/606745783.db2.gz HWWJAVIMMKIQFX-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)COC1 ZINC000820944090 606745784 /nfs/dbraw/zinc/74/57/84/606745784.db2.gz HWWJAVIMMKIQFX-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822941331 606746455 /nfs/dbraw/zinc/74/64/55/606746455.db2.gz UYLAPMVBEKIADG-NSHDSACASA-N -2 3 351.388 0.631 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822941331 606746456 /nfs/dbraw/zinc/74/64/56/606746456.db2.gz UYLAPMVBEKIADG-NSHDSACASA-N -2 3 351.388 0.631 20 0 FCADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000821588526 606820325 /nfs/dbraw/zinc/82/03/25/606820325.db2.gz XAUFGYMVUBYDIO-LLVKDONJSA-N -2 3 352.420 0.853 20 0 FCADHL CSc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000821990474 606861536 /nfs/dbraw/zinc/86/15/36/606861536.db2.gz STRDFLKRERNRQH-UHFFFAOYSA-N -2 3 352.405 0.816 20 0 FCADHL C[C@]1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCOC1 ZINC000820618934 606891476 /nfs/dbraw/zinc/89/14/76/606891476.db2.gz UAOWIFSEYHYQPT-CYBMUJFWSA-N -2 3 359.358 0.850 20 0 FCADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000822203244 606899307 /nfs/dbraw/zinc/89/93/07/606899307.db2.gz KQZACOHPINLQLN-UHFFFAOYSA-N -2 3 364.362 0.771 20 0 FCADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000822203244 606899308 /nfs/dbraw/zinc/89/93/08/606899308.db2.gz KQZACOHPINLQLN-UHFFFAOYSA-N -2 3 364.362 0.771 20 0 FCADHL COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821657254 606951915 /nfs/dbraw/zinc/95/19/15/606951915.db2.gz KWKDOIBXWSIZDY-SECBINFHSA-N -2 3 367.387 0.012 20 0 FCADHL COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821657254 606951917 /nfs/dbraw/zinc/95/19/17/606951917.db2.gz KWKDOIBXWSIZDY-SECBINFHSA-N -2 3 367.387 0.012 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c[n-]1 ZINC000821669133 607142258 /nfs/dbraw/zinc/14/22/58/607142258.db2.gz ZCNLDNAWXOZOIE-UHFFFAOYSA-N -2 3 367.318 0.888 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c[n-]1 ZINC000821669133 607142260 /nfs/dbraw/zinc/14/22/60/607142260.db2.gz ZCNLDNAWXOZOIE-UHFFFAOYSA-N -2 3 367.318 0.888 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cccnc1C ZINC000822223843 607185421 /nfs/dbraw/zinc/18/54/21/607185421.db2.gz MFCIHLFPGPEMNN-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cccnc1C ZINC000822223843 607185422 /nfs/dbraw/zinc/18/54/22/607185422.db2.gz MFCIHLFPGPEMNN-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825981536 607776641 /nfs/dbraw/zinc/77/66/41/607776641.db2.gz UMPQHAZAQQMKJE-UHFFFAOYSA-N -2 3 361.387 0.301 20 0 FCADHL CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825981536 607776642 /nfs/dbraw/zinc/77/66/42/607776642.db2.gz UMPQHAZAQQMKJE-UHFFFAOYSA-N -2 3 361.387 0.301 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(F)c1 ZINC000826292796 607778575 /nfs/dbraw/zinc/77/85/75/607778575.db2.gz MIYHGECBBSOOHL-UHFFFAOYSA-N -2 3 350.335 0.761 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(F)c1 ZINC000826292796 607778576 /nfs/dbraw/zinc/77/85/76/607778576.db2.gz MIYHGECBBSOOHL-UHFFFAOYSA-N -2 3 350.335 0.761 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826282404 607806535 /nfs/dbraw/zinc/80/65/35/607806535.db2.gz NIIHJXVUUITFJP-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826282404 607806536 /nfs/dbraw/zinc/80/65/36/607806536.db2.gz NIIHJXVUUITFJP-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ncn1 ZINC000826267122 607938043 /nfs/dbraw/zinc/93/80/43/607938043.db2.gz RDTARLOKBYEYTD-UHFFFAOYSA-N -2 3 367.341 0.722 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCCC1 ZINC000826461343 608010830 /nfs/dbraw/zinc/01/08/30/608010830.db2.gz QROUQCXGBYCOLJ-UHFFFAOYSA-N -2 3 355.351 0.682 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC000826461343 608010831 /nfs/dbraw/zinc/01/08/31/608010831.db2.gz QROUQCXGBYCOLJ-UHFFFAOYSA-N -2 3 355.351 0.682 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000826461059 608010907 /nfs/dbraw/zinc/01/09/07/608010907.db2.gz DPILAUBIHHZKAU-ZETCQYMHSA-N -2 3 357.779 0.615 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000826461059 608010908 /nfs/dbraw/zinc/01/09/08/608010908.db2.gz DPILAUBIHHZKAU-ZETCQYMHSA-N -2 3 357.779 0.615 20 0 FCADHL O=C([O-])CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826461235 608010928 /nfs/dbraw/zinc/01/09/28/608010928.db2.gz MGOWXVWJOAKDDO-UHFFFAOYSA-N -2 3 351.266 0.248 20 0 FCADHL O=C([O-])CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826461235 608010929 /nfs/dbraw/zinc/01/09/29/608010929.db2.gz MGOWXVWJOAKDDO-UHFFFAOYSA-N -2 3 351.266 0.248 20 0 FCADHL CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC000824198649 608011036 /nfs/dbraw/zinc/01/10/36/608011036.db2.gz CFBJFPJLHFIFIT-VIFPVBQESA-N -3 3 361.330 0.532 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826461115 608011312 /nfs/dbraw/zinc/01/13/12/608011312.db2.gz GSSWLRFOBSWYRB-SSDOTTSWSA-N -2 3 357.779 0.615 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826461115 608011313 /nfs/dbraw/zinc/01/13/13/608011313.db2.gz GSSWLRFOBSWYRB-SSDOTTSWSA-N -2 3 357.779 0.615 20 0 FCADHL C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824450096 608124751 /nfs/dbraw/zinc/12/47/51/608124751.db2.gz RVIGFJULTRPATI-IRQDQGPISA-N -2 3 365.387 0.190 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826222106 608820353 /nfs/dbraw/zinc/82/03/53/608820353.db2.gz IRFDFJGXJKIIGO-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826222106 608820358 /nfs/dbraw/zinc/82/03/58/608820358.db2.gz IRFDFJGXJKIIGO-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c(C)n1 ZINC000826329791 609255235 /nfs/dbraw/zinc/25/52/35/609255235.db2.gz RSQXUQGAYFIWOR-UHFFFAOYSA-N -2 3 373.398 0.533 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c(C)n1 ZINC000826329791 609255237 /nfs/dbraw/zinc/25/52/37/609255237.db2.gz RSQXUQGAYFIWOR-UHFFFAOYSA-N -2 3 373.398 0.533 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000826329583 609255471 /nfs/dbraw/zinc/25/54/71/609255471.db2.gz JSBWVCVDPVZWFG-UHFFFAOYSA-N -2 3 359.371 0.392 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000826329583 609255473 /nfs/dbraw/zinc/25/54/73/609255473.db2.gz JSBWVCVDPVZWFG-UHFFFAOYSA-N -2 3 359.371 0.392 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCCOC1 ZINC000824784327 609352441 /nfs/dbraw/zinc/35/24/41/609352441.db2.gz QQEMHENOTFYBCC-AWEZNQCLSA-N -2 3 351.388 0.488 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCCOC1 ZINC000824784327 609352443 /nfs/dbraw/zinc/35/24/43/609352443.db2.gz QQEMHENOTFYBCC-AWEZNQCLSA-N -2 3 351.388 0.488 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826155300 609386156 /nfs/dbraw/zinc/38/61/56/609386156.db2.gz LVEMAEPWWZQHAK-NSHDSACASA-N -2 3 367.431 0.875 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826155300 609386159 /nfs/dbraw/zinc/38/61/59/609386159.db2.gz LVEMAEPWWZQHAK-NSHDSACASA-N -2 3 367.431 0.875 20 0 FCADHL COC(=O)CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)cc1 ZINC000064940213 663344988 /nfs/dbraw/zinc/34/49/88/663344988.db2.gz ZCLZDIXVNYIQGJ-UHFFFAOYSA-N -2 3 371.415 0.531 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCSCC2)c(C)o1 ZINC000263012407 665226697 /nfs/dbraw/zinc/22/66/97/665226697.db2.gz WUFHWTSFEALSNM-UHFFFAOYSA-N -2 3 362.429 0.576 20 0 FCADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(OCCC(=O)OC)cc1 ZINC000070776416 666579080 /nfs/dbraw/zinc/57/90/80/666579080.db2.gz MENOPIHBLBMSOI-UHFFFAOYSA-N -2 3 359.404 0.531 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(Cl)c2)o1 ZINC000031490647 667174060 /nfs/dbraw/zinc/17/40/60/667174060.db2.gz JYKRQPSTBVZSGF-UHFFFAOYSA-N -2 3 357.775 0.916 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCSCC1 ZINC000738138776 667905167 /nfs/dbraw/zinc/90/51/67/667905167.db2.gz JFFJJEKCEPNZCM-UHFFFAOYSA-N -2 3 353.429 0.815 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCSCC1 ZINC000738138776 667905169 /nfs/dbraw/zinc/90/51/69/667905169.db2.gz JFFJJEKCEPNZCM-UHFFFAOYSA-N -2 3 353.429 0.815 20 0 FCADHL Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)[N-]OCCO)cs2)c1 ZINC000787284646 668793044 /nfs/dbraw/zinc/79/30/44/668793044.db2.gz JXSLHQLPXKZXFA-UHFFFAOYSA-N -2 3 351.384 0.992 20 0 FCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-])c1F ZINC000787936731 668816258 /nfs/dbraw/zinc/81/62/58/668816258.db2.gz UWOFGYILGOAKBT-MRVPVSSYSA-N -2 3 365.310 0.462 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)nc1Cl ZINC000821247378 669170851 /nfs/dbraw/zinc/17/08/51/669170851.db2.gz GVCYREVVFADDLV-CBAPKCEASA-N -2 3 353.828 0.602 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1=O ZINC000824868240 669421948 /nfs/dbraw/zinc/42/19/48/669421948.db2.gz UIRZRYUZYRGHME-MWLCHTKSSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1=O ZINC000824868240 669421950 /nfs/dbraw/zinc/42/19/50/669421950.db2.gz UIRZRYUZYRGHME-MWLCHTKSSA-N -2 3 363.399 0.677 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826152930 669485814 /nfs/dbraw/zinc/48/58/14/669485814.db2.gz UNLSGIDMKNANEV-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826152930 669485821 /nfs/dbraw/zinc/48/58/21/669485821.db2.gz UNLSGIDMKNANEV-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL CCn1ncn([N-]C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1=O ZINC000816736648 669976487 /nfs/dbraw/zinc/97/64/87/669976487.db2.gz GVCOPODDJQLQRP-UHFFFAOYSA-N -2 3 357.392 0.118 20 0 FCADHL CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840891698 670524065 /nfs/dbraw/zinc/52/40/65/670524065.db2.gz ZOKQIUOTEVTLMW-PELKAZGASA-N -2 3 365.354 0.993 20 0 FCADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c(C)c1Cl ZINC000841783078 670609866 /nfs/dbraw/zinc/60/98/66/670609866.db2.gz LTASRMLVFPABMI-LLVKDONJSA-N -2 3 371.820 0.610 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1F ZINC000843336492 670799980 /nfs/dbraw/zinc/79/99/80/670799980.db2.gz ZZFOOCMIUWGAJC-ONGXEEELSA-N -2 3 358.391 0.917 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)N2CCCCC2)c(F)cc1F ZINC000844895071 670953934 /nfs/dbraw/zinc/95/39/34/670953934.db2.gz ZPGTZSMNWUBTRS-UHFFFAOYSA-N -2 3 362.354 0.954 20 0 FCADHL CCO[N-]C(=O)CC[C@H](NC(=O)c1ccccc1F)C(=O)[N-]OCC ZINC000845140589 670969284 /nfs/dbraw/zinc/96/92/84/670969284.db2.gz ICPHOMWLJFPSQM-ZDUSSCGKSA-N -2 3 355.366 0.840 20 0 FCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC)c1 ZINC000848677826 671289672 /nfs/dbraw/zinc/28/96/72/671289672.db2.gz LFYYDERXDFDCHU-SNVBAGLBSA-N -2 3 363.363 0.689 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOC1CCOCC1 ZINC000863533798 672134149 /nfs/dbraw/zinc/13/41/49/672134149.db2.gz YRPOFHVUZMFQLZ-NEPJUHHUSA-N -2 3 368.352 0.778 20 0 FCADHL O=C(NN1CC(=O)[N-]C1=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000070901213 1168050323 /nfs/dbraw/zinc/05/03/23/1168050323.db2.gz FYXBQPARPQHYAC-UHFFFAOYSA-N -2 3 374.378 0.684 20 0 FCADHL C[C@]12CN(C(=O)c3cnc[n-]c3=O)C[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC000993057785 1197758172 /nfs/dbraw/zinc/75/81/72/1197758172.db2.gz SHYBLPUOSKPLMA-BBATYDOGSA-N -2 3 369.381 0.517 20 0 FCADHL CCOC(=O)c1nc(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)n[n-]1 ZINC000788601726 1200968965 /nfs/dbraw/zinc/96/89/65/1200968965.db2.gz HYNIMBIVRVXKNA-UHFFFAOYSA-N -2 3 374.382 0.849 20 0 FCADHL CCOC(=O)c1nnc(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)[n-]1 ZINC000788601726 1200968972 /nfs/dbraw/zinc/96/89/72/1200968972.db2.gz HYNIMBIVRVXKNA-UHFFFAOYSA-N -2 3 374.382 0.849 20 0 FCADHL CCOC(=O)c1n[n-]c(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)n1 ZINC000788601726 1200968982 /nfs/dbraw/zinc/96/89/82/1200968982.db2.gz HYNIMBIVRVXKNA-UHFFFAOYSA-N -2 3 374.382 0.849 20 0 FCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001097286298 1218758727 /nfs/dbraw/zinc/75/87/27/1218758727.db2.gz BWSUOJLTJBPLTL-FOGDFJRCSA-N -2 3 371.401 0.419 20 0 FCADHL C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001080571131 1255935504 /nfs/dbraw/zinc/93/55/04/1255935504.db2.gz ALXFLYGUJWLKKK-LDYMZIIASA-N -2 3 359.390 0.134 20 0 FCADHL C[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315046 1278116790 /nfs/dbraw/zinc/11/67/90/1278116790.db2.gz CIOPVGRPFMWDCA-SFYZADRCSA-N -2 3 356.312 0.550 20 0 FCADHL C[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315046 1278116792 /nfs/dbraw/zinc/11/67/92/1278116792.db2.gz CIOPVGRPFMWDCA-SFYZADRCSA-N -2 3 356.312 0.550 20 0 FCADHL C[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315294 1278117022 /nfs/dbraw/zinc/11/70/22/1278117022.db2.gz KPAHRHODPPLZEE-APPZFPTMSA-N -2 3 356.312 0.550 20 0 FCADHL C[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315294 1278117025 /nfs/dbraw/zinc/11/70/25/1278117025.db2.gz KPAHRHODPPLZEE-APPZFPTMSA-N -2 3 356.312 0.550 20 0 FCADHL C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ncccc1[O-] ZINC001580426812 1278290020 /nfs/dbraw/zinc/29/00/20/1278290020.db2.gz ZQYKJUSZTGQZOV-MRVPVSSYSA-N -2 3 358.337 0.732 20 0 FCADHL C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ncccc1[O-] ZINC001580426812 1278290026 /nfs/dbraw/zinc/29/00/26/1278290026.db2.gz ZQYKJUSZTGQZOV-MRVPVSSYSA-N -2 3 358.337 0.732 20 0 FCADHL CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001573903693 1270927844 /nfs/dbraw/zinc/92/78/44/1270927844.db2.gz BHADMSVTRBYDOA-UHFFFAOYSA-N -2 3 356.346 0.214 20 0 FCADHL CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001573903693 1270927847 /nfs/dbraw/zinc/92/78/47/1270927847.db2.gz BHADMSVTRBYDOA-UHFFFAOYSA-N -2 3 356.346 0.214 20 0 FCADHL CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574273240 1271148948 /nfs/dbraw/zinc/14/89/48/1271148948.db2.gz VALSCONNIIPPBL-UHFFFAOYSA-N -2 3 374.409 0.001 20 0 FCADHL CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574273240 1271148953 /nfs/dbraw/zinc/14/89/53/1271148953.db2.gz VALSCONNIIPPBL-UHFFFAOYSA-N -2 3 374.409 0.001 20 0 FCADHL C[C@H](CCNc1ccc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574662197 1271462073 /nfs/dbraw/zinc/46/20/73/1271462073.db2.gz ZJIOOHXVVWYEIG-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL C[C@@H](CN(C)c1ncccc1-c1nnn[n-]1)NC(=O)c1ncccc1[O-] ZINC001574824553 1271570863 /nfs/dbraw/zinc/57/08/63/1271570863.db2.gz WQGNQSUCXJIZBF-JTQLQIEISA-N -2 3 354.374 0.617 20 0 FCADHL C[C@@H](CN(C)c1ncccc1-c1nn[n-]n1)NC(=O)c1ncccc1[O-] ZINC001574824553 1271570868 /nfs/dbraw/zinc/57/08/68/1271570868.db2.gz WQGNQSUCXJIZBF-JTQLQIEISA-N -2 3 354.374 0.617 20 0 FCADHL C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575355427 1271982542 /nfs/dbraw/zinc/98/25/42/1271982542.db2.gz GXKGFOPUIYIIOB-BDAKNGLRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575355427 1271982553 /nfs/dbraw/zinc/98/25/53/1271982553.db2.gz GXKGFOPUIYIIOB-BDAKNGLRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001575470158 1272141714 /nfs/dbraw/zinc/14/17/14/1272141714.db2.gz BDXWMBDGLDUGKO-ZETCQYMHSA-N -2 3 361.374 0.830 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001580716493 1278783911 /nfs/dbraw/zinc/78/39/11/1278783911.db2.gz DXRMDXSBADRCIL-JTQLQIEISA-N -2 3 367.373 0.392 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001580716493 1278783915 /nfs/dbraw/zinc/78/39/15/1278783915.db2.gz DXRMDXSBADRCIL-JTQLQIEISA-N -2 3 367.373 0.392 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1ccc(-c2nnn[n-]2)nn1 ZINC001578101822 1275405211 /nfs/dbraw/zinc/40/52/11/1275405211.db2.gz WMHMAUMSETZQAD-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1ccc(-c2nn[n-]n2)nn1 ZINC001578101822 1275405215 /nfs/dbraw/zinc/40/52/15/1275405215.db2.gz WMHMAUMSETZQAD-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1snc(C)c1-c1nnn[n-]1 ZINC001578101864 1275407275 /nfs/dbraw/zinc/40/72/75/1275407275.db2.gz YLSPDTUBZSWUDX-UHFFFAOYSA-N -2 3 374.430 0.989 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1snc(C)c1-c1nn[n-]n1 ZINC001578101864 1275407278 /nfs/dbraw/zinc/40/72/78/1275407278.db2.gz YLSPDTUBZSWUDX-UHFFFAOYSA-N -2 3 374.430 0.989 20 0 FCADHL CCc1nc(NC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])cc(-c2nnn[n-]2)n1 ZINC001578668582 1276122582 /nfs/dbraw/zinc/12/25/82/1276122582.db2.gz VCBLUTONDZAUNB-ZETCQYMHSA-N -2 3 372.393 0.187 20 0 FCADHL CCc1nc(NC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])cc(-c2nn[n-]n2)n1 ZINC001578668582 1276122584 /nfs/dbraw/zinc/12/25/84/1276122584.db2.gz VCBLUTONDZAUNB-ZETCQYMHSA-N -2 3 372.393 0.187 20 0 FCADHL CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1cc(-c2nnn[n-]2)ccn1 ZINC001578839433 1276358863 /nfs/dbraw/zinc/35/88/63/1276358863.db2.gz HSUHSFFFYIXMKV-UHFFFAOYSA-N -2 3 357.296 0.682 20 0 FCADHL CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1cc(-c2nn[n-]n2)ccn1 ZINC001578839433 1276358866 /nfs/dbraw/zinc/35/88/66/1276358866.db2.gz HSUHSFFFYIXMKV-UHFFFAOYSA-N -2 3 357.296 0.682 20 0 FCADHL CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579298169 1277125532 /nfs/dbraw/zinc/12/55/32/1277125532.db2.gz GANWMUHLLLDQLP-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579298169 1277125534 /nfs/dbraw/zinc/12/55/34/1277125534.db2.gz GANWMUHLLLDQLP-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL COC(=O)c1cnc(C[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)s1 ZINC001579488942 1277399067 /nfs/dbraw/zinc/39/90/67/1277399067.db2.gz IUFOMKYYJBNLEO-UHFFFAOYSA-N -2 3 370.372 0.181 20 0 FCADHL COC(=O)c1cnc(C[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001579488942 1277399073 /nfs/dbraw/zinc/39/90/73/1277399073.db2.gz IUFOMKYYJBNLEO-UHFFFAOYSA-N -2 3 370.372 0.181 20 0 FCADHL CC(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001603219137 1287335406 /nfs/dbraw/zinc/33/54/06/1287335406.db2.gz BUIOOWUSAOUQTH-SNVBAGLBSA-N -2 3 357.367 0.641 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581091253 1279361107 /nfs/dbraw/zinc/36/11/07/1279361107.db2.gz XWWHICLNNALQPR-SECBINFHSA-N -2 3 371.405 0.928 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581091254 1279362568 /nfs/dbraw/zinc/36/25/68/1279362568.db2.gz XWWHICLNNALQPR-VIFPVBQESA-N -2 3 371.405 0.928 20 0 FCADHL CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001603264147 1287342775 /nfs/dbraw/zinc/34/27/75/1287342775.db2.gz ZWRKQWVIBBNJRL-NSHDSACASA-N -2 3 360.374 0.668 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581133159 1279436718 /nfs/dbraw/zinc/43/67/18/1279436718.db2.gz OLWXDLBVLJDNID-MGCOHNPYSA-N -2 3 369.389 0.680 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC001603437443 1287370410 /nfs/dbraw/zinc/37/04/10/1287370410.db2.gz YIOVKNKJBIGMHM-UHFFFAOYSA-N -2 3 369.798 0.888 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC001603437443 1287370413 /nfs/dbraw/zinc/37/04/13/1287370413.db2.gz YIOVKNKJBIGMHM-UHFFFAOYSA-N -2 3 369.798 0.888 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c1[O-] ZINC001581391370 1279821362 /nfs/dbraw/zinc/82/13/62/1279821362.db2.gz IBQRLHWTAZLBMN-JGZJWPJOSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c1[O-] ZINC001581391370 1279821372 /nfs/dbraw/zinc/82/13/72/1279821372.db2.gz IBQRLHWTAZLBMN-JGZJWPJOSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581391513 1279821516 /nfs/dbraw/zinc/82/15/16/1279821516.db2.gz KAUNUJPOSFWVQC-SNVBAGLBSA-N -2 3 369.389 0.255 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)C)c1[O-] ZINC001581391599 1279822438 /nfs/dbraw/zinc/82/24/38/1279822438.db2.gz KTFUQCJUKKWOHK-VIFPVBQESA-N -2 3 372.393 0.260 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c1[O-] ZINC001581392441 1279828074 /nfs/dbraw/zinc/82/80/74/1279828074.db2.gz HNTVFLNFTICRBP-AOOOYVTPSA-N -2 3 355.362 0.372 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c1[O-] ZINC001581392441 1279828080 /nfs/dbraw/zinc/82/80/80/1279828080.db2.gz HNTVFLNFTICRBP-AOOOYVTPSA-N -2 3 355.362 0.372 20 0 FCADHL CCOCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC001609241820 1289015677 /nfs/dbraw/zinc/01/56/77/1289015677.db2.gz XOXMNGPCDDKGFG-UHFFFAOYSA-N -2 3 369.338 0.726 20 0 FCADHL CCOCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC001609241820 1289015680 /nfs/dbraw/zinc/01/56/80/1289015680.db2.gz XOXMNGPCDDKGFG-UHFFFAOYSA-N -2 3 369.338 0.726 20 0 FCADHL CC(C)(CC[N-]S(=O)(=O)c1csnc1C(=O)[O-])S(C)(=O)=O ZINC001603613563 1287443737 /nfs/dbraw/zinc/44/37/37/1287443737.db2.gz WUTQKEQWOYFROA-UHFFFAOYSA-N -2 3 356.447 0.333 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001582185206 1281165455 /nfs/dbraw/zinc/16/54/55/1281165455.db2.gz FYKYTTGBMSNIBY-UHFFFAOYSA-N -2 3 373.283 0.168 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001582185206 1281165461 /nfs/dbraw/zinc/16/54/61/1281165461.db2.gz FYKYTTGBMSNIBY-UHFFFAOYSA-N -2 3 373.283 0.168 20 0 FCADHL CC1(C(=O)[O-])CCN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)CC1 ZINC001603751329 1287487163 /nfs/dbraw/zinc/48/71/63/1287487163.db2.gz DMZCGNDIRKMPKJ-UHFFFAOYSA-N -2 3 366.403 0.205 20 0 FCADHL CC1(C(=O)[O-])CCN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)CC1 ZINC001603751329 1287487165 /nfs/dbraw/zinc/48/71/65/1287487165.db2.gz DMZCGNDIRKMPKJ-UHFFFAOYSA-N -2 3 366.403 0.205 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001603751788 1287487628 /nfs/dbraw/zinc/48/76/28/1287487628.db2.gz NEZYOBZDSYFRIV-UHFFFAOYSA-N -2 3 365.415 0.883 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001603751788 1287487631 /nfs/dbraw/zinc/48/76/31/1287487631.db2.gz NEZYOBZDSYFRIV-UHFFFAOYSA-N -2 3 365.415 0.883 20 0 FCADHL CC(C)C[C@H](NC(=O)CSc1nc2c(cnn2C)c(=O)[n-]1)C(=O)[O-] ZINC001603783100 1287494906 /nfs/dbraw/zinc/49/49/06/1287494906.db2.gz ONSNLJLPQZFLJT-VIFPVBQESA-N -2 3 353.404 0.777 20 0 FCADHL O=C(NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ncccc1[O-] ZINC001582363542 1281416561 /nfs/dbraw/zinc/41/65/61/1281416561.db2.gz ROEGRBRGPLWXBY-LLVKDONJSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ncccc1[O-] ZINC001582363542 1281416562 /nfs/dbraw/zinc/41/65/62/1281416562.db2.gz ROEGRBRGPLWXBY-LLVKDONJSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CC1)c1ncccc1[O-] ZINC001582366218 1281419284 /nfs/dbraw/zinc/41/92/84/1281419284.db2.gz BFWMWCWDLHPPTB-GFCCVEGCSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CC1)c1ncccc1[O-] ZINC001582366218 1281419289 /nfs/dbraw/zinc/41/92/89/1281419289.db2.gz BFWMWCWDLHPPTB-GFCCVEGCSA-N -2 3 366.385 0.983 20 0 FCADHL CC(C)CN1CCO[C@@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC001603816706 1287508421 /nfs/dbraw/zinc/50/84/21/1287508421.db2.gz VXCSNGVCVSXKAA-JTQLQIEISA-N -2 3 363.461 0.476 20 0 FCADHL O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582457135 1281574016 /nfs/dbraw/zinc/57/40/16/1281574016.db2.gz ZXZJJWFKNRHZBY-LLVKDONJSA-N -2 3 366.385 0.619 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603830695 1287509369 /nfs/dbraw/zinc/50/93/69/1287509369.db2.gz MLUYXKDASUSGQE-IONNQARKSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844674 1287516636 /nfs/dbraw/zinc/51/66/36/1287516636.db2.gz IDSJCRQLTXHLTE-DGCLKSJQSA-N -2 3 374.401 0.998 20 0 FCADHL O=C(NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1)c1ncccc1[O-] ZINC001582512520 1281693616 /nfs/dbraw/zinc/69/36/16/1281693616.db2.gz BMUMTAVQICTSKY-UHFFFAOYSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1)c1ncccc1[O-] ZINC001582512520 1281693625 /nfs/dbraw/zinc/69/36/25/1281693625.db2.gz BMUMTAVQICTSKY-UHFFFAOYSA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ncccc1[O-] ZINC001582515396 1281700125 /nfs/dbraw/zinc/70/01/25/1281700125.db2.gz ORZLNJGJYFMYLP-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ncccc1[O-] ZINC001582515396 1281700134 /nfs/dbraw/zinc/70/01/34/1281700134.db2.gz ORZLNJGJYFMYLP-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001582751493 1281976139 /nfs/dbraw/zinc/97/61/39/1281976139.db2.gz IRXIUPHMXWOHRI-LLVKDONJSA-N -2 3 352.358 0.689 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001582751512 1281976545 /nfs/dbraw/zinc/97/65/45/1281976545.db2.gz JNWLLXZZCCVMOH-SNVBAGLBSA-N -2 3 367.373 0.332 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001582751512 1281976549 /nfs/dbraw/zinc/97/65/49/1281976549.db2.gz JNWLLXZZCCVMOH-SNVBAGLBSA-N -2 3 367.373 0.332 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001582751324 1281976637 /nfs/dbraw/zinc/97/66/37/1281976637.db2.gz BFXLXLFNUPVKTC-VIFPVBQESA-N -2 3 353.346 0.084 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001582751324 1281976644 /nfs/dbraw/zinc/97/66/44/1281976644.db2.gz BFXLXLFNUPVKTC-VIFPVBQESA-N -2 3 353.346 0.084 20 0 FCADHL C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)CC[C@@H]1C(=O)[O-] ZINC001603940639 1287540967 /nfs/dbraw/zinc/54/09/67/1287540967.db2.gz JHIALNDBUTXUFS-BDAKNGLRSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)CC[C@@H]1C(=O)[O-] ZINC001603940639 1287540971 /nfs/dbraw/zinc/54/09/71/1287540971.db2.gz JHIALNDBUTXUFS-BDAKNGLRSA-N -2 3 366.403 0.061 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001604081882 1287568474 /nfs/dbraw/zinc/56/84/74/1287568474.db2.gz SCQQTYDEDKWTDI-AWEZNQCLSA-N -2 3 369.378 0.881 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001604081882 1287568475 /nfs/dbraw/zinc/56/84/75/1287568475.db2.gz SCQQTYDEDKWTDI-AWEZNQCLSA-N -2 3 369.378 0.881 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001604095144 1287569277 /nfs/dbraw/zinc/56/92/77/1287569277.db2.gz AFTOGROEKWJWPV-VXGBXAGGSA-N -2 3 351.388 0.741 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001604095144 1287569281 /nfs/dbraw/zinc/56/92/81/1287569281.db2.gz AFTOGROEKWJWPV-VXGBXAGGSA-N -2 3 351.388 0.741 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)s1 ZINC001588886840 1282723595 /nfs/dbraw/zinc/72/35/95/1282723595.db2.gz JXHZXJXYJZRGML-UHFFFAOYSA-N -2 3 372.417 0.539 20 0 FCADHL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC001588911885 1282728262 /nfs/dbraw/zinc/72/82/62/1282728262.db2.gz GFBMOKDHLQFHTN-UHFFFAOYSA-N -2 3 361.339 0.781 20 0 FCADHL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC001588911885 1282728270 /nfs/dbraw/zinc/72/82/70/1282728270.db2.gz GFBMOKDHLQFHTN-UHFFFAOYSA-N -2 3 361.339 0.781 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001589003180 1282764636 /nfs/dbraw/zinc/76/46/36/1282764636.db2.gz ROLIEEZDCJWWMR-VIFPVBQESA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001589003180 1282764642 /nfs/dbraw/zinc/76/46/42/1282764642.db2.gz ROLIEEZDCJWWMR-VIFPVBQESA-N -2 3 350.404 0.893 20 0 FCADHL CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001589149330 1282807807 /nfs/dbraw/zinc/80/78/07/1282807807.db2.gz NSLOUCRZTORONV-GFCCVEGCSA-N -2 3 374.357 0.763 20 0 FCADHL CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001589149330 1282807814 /nfs/dbraw/zinc/80/78/14/1282807814.db2.gz NSLOUCRZTORONV-GFCCVEGCSA-N -2 3 374.357 0.763 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001589314160 1282836063 /nfs/dbraw/zinc/83/60/63/1282836063.db2.gz OLHPVEUZUSTDOS-UHFFFAOYSA-N -2 3 372.311 0.863 20 0 FCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001589314160 1282836069 /nfs/dbraw/zinc/83/60/69/1282836069.db2.gz OLHPVEUZUSTDOS-UHFFFAOYSA-N -2 3 372.311 0.863 20 0 FCADHL CC(C)[C@](C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(N)=O ZINC001589427937 1282879819 /nfs/dbraw/zinc/87/98/19/1282879819.db2.gz FEHWPIZLTYOOOS-ZDUSSCGKSA-N -2 3 374.373 0.323 20 0 FCADHL CC(C)[C@H](CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001589456164 1282884788 /nfs/dbraw/zinc/88/47/88/1282884788.db2.gz AVCZHYXFEVSUOG-NSHDSACASA-N -2 3 371.394 0.782 20 0 FCADHL CC(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589456372 1282887257 /nfs/dbraw/zinc/88/72/57/1282887257.db2.gz FIGOTXNVBYNCCU-SNVBAGLBSA-N -2 3 354.392 0.283 20 0 FCADHL CC(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589456372 1282887272 /nfs/dbraw/zinc/88/72/72/1282887272.db2.gz FIGOTXNVBYNCCU-SNVBAGLBSA-N -2 3 354.392 0.283 20 0 FCADHL CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cn1)C(=O)[O-] ZINC001589553351 1282908695 /nfs/dbraw/zinc/90/86/95/1282908695.db2.gz XICSQXHFDKDRRN-SNVBAGLBSA-N -2 3 361.362 0.063 20 0 FCADHL CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC001589553351 1282908701 /nfs/dbraw/zinc/90/87/01/1282908701.db2.gz XICSQXHFDKDRRN-SNVBAGLBSA-N -2 3 361.362 0.063 20 0 FCADHL CC(C)OCCO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589749374 1282976073 /nfs/dbraw/zinc/97/60/73/1282976073.db2.gz VPBQBFZHOKDXKW-UHFFFAOYSA-N -2 3 352.326 0.417 20 0 FCADHL CC(C)OCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589749374 1282976080 /nfs/dbraw/zinc/97/60/80/1282976080.db2.gz VPBQBFZHOKDXKW-UHFFFAOYSA-N -2 3 352.326 0.417 20 0 FCADHL CC(C)OC[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589750024 1282979605 /nfs/dbraw/zinc/97/96/05/1282979605.db2.gz QGXVECRBXAQJTL-LBPRGKRZSA-N -2 3 369.403 0.164 20 0 FCADHL CC(C)n1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001589782828 1283000172 /nfs/dbraw/zinc/00/01/72/1283000172.db2.gz UXZYNNCRDJCPNJ-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL CC(C)n1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001589782828 1283000182 /nfs/dbraw/zinc/00/01/82/1283000182.db2.gz UXZYNNCRDJCPNJ-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL C[C@@H](CCCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1[O-] ZINC001589817691 1283053055 /nfs/dbraw/zinc/05/30/55/1283053055.db2.gz HSUZMWIUEPYQSS-JTQLQIEISA-N -2 3 369.389 0.768 20 0 FCADHL C[C@@H](CCCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001589817691 1283053059 /nfs/dbraw/zinc/05/30/59/1283053059.db2.gz HSUZMWIUEPYQSS-JTQLQIEISA-N -2 3 369.389 0.768 20 0 FCADHL C[C@@H](CCCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589819305 1283056039 /nfs/dbraw/zinc/05/60/39/1283056039.db2.gz WSQVUFOYGWUBNP-VIFPVBQESA-N -2 3 371.394 0.926 20 0 FCADHL C[C@@H](CCCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589819305 1283056043 /nfs/dbraw/zinc/05/60/43/1283056043.db2.gz WSQVUFOYGWUBNP-VIFPVBQESA-N -2 3 371.394 0.926 20 0 FCADHL C[C@@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589918872 1283130416 /nfs/dbraw/zinc/13/04/16/1283130416.db2.gz PSPBOEKBXBLAGA-GHMZBOCLSA-N -2 3 360.374 0.128 20 0 FCADHL C[C@@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589918872 1283130420 /nfs/dbraw/zinc/13/04/20/1283130420.db2.gz PSPBOEKBXBLAGA-GHMZBOCLSA-N -2 3 360.374 0.128 20 0 FCADHL C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001589980335 1283155613 /nfs/dbraw/zinc/15/56/13/1283155613.db2.gz LTHVXTKBAUWNFI-RKDXNWHRSA-N -2 3 355.362 0.833 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001590071612 1283201855 /nfs/dbraw/zinc/20/18/55/1283201855.db2.gz RKAREZSZSYHENF-AWEZNQCLSA-N -2 3 369.378 0.881 20 0 FCADHL CC1(C(=O)[O-])CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC001590071453 1283202283 /nfs/dbraw/zinc/20/22/83/1283202283.db2.gz MVDLYFLQTWBJPK-UHFFFAOYSA-N -2 3 374.405 0.570 20 0 FCADHL CC1(C(=O)[O-])CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC001590071453 1283202288 /nfs/dbraw/zinc/20/22/88/1283202288.db2.gz MVDLYFLQTWBJPK-UHFFFAOYSA-N -2 3 374.405 0.570 20 0 FCADHL C[C@]1(CS(=O)(=O)[N-]c2c[nH]nc2-c2nn[n-]n2)CC1(Cl)Cl ZINC001590140099 1283239314 /nfs/dbraw/zinc/23/93/14/1283239314.db2.gz PGGKCVJYBGYHBK-MRVPVSSYSA-N -2 3 352.207 0.915 20 0 FCADHL C[C@]1(CS(=O)(=O)[N-]c2c[nH]nc2-c2nnn[n-]2)CC1(Cl)Cl ZINC001590140099 1283239318 /nfs/dbraw/zinc/23/93/18/1283239318.db2.gz PGGKCVJYBGYHBK-MRVPVSSYSA-N -2 3 352.207 0.915 20 0 FCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590142454 1283240654 /nfs/dbraw/zinc/24/06/54/1283240654.db2.gz CHSGTDZYIULOOO-NSHDSACASA-N -2 3 361.353 0.966 20 0 FCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590142454 1283240658 /nfs/dbraw/zinc/24/06/58/1283240658.db2.gz CHSGTDZYIULOOO-NSHDSACASA-N -2 3 361.353 0.966 20 0 FCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590142452 1283240972 /nfs/dbraw/zinc/24/09/72/1283240972.db2.gz CFMLKPKTMVJGMN-LBPRGKRZSA-N -2 3 358.280 0.743 20 0 FCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590142452 1283240977 /nfs/dbraw/zinc/24/09/77/1283240977.db2.gz CFMLKPKTMVJGMN-LBPRGKRZSA-N -2 3 358.280 0.743 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590164089 1283256556 /nfs/dbraw/zinc/25/65/56/1283256556.db2.gz ACAVVPLXZZFMDS-SKDRFNHKSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590164087 1283256906 /nfs/dbraw/zinc/25/69/06/1283256906.db2.gz ACAVVPLXZZFMDS-CABZTGNLSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590165140 1283259252 /nfs/dbraw/zinc/25/92/52/1283259252.db2.gz JPZQGIAIZJVUQE-JOYOIKCWSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590165140 1283259261 /nfs/dbraw/zinc/25/92/61/1283259261.db2.gz JPZQGIAIZJVUQE-JOYOIKCWSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001590260192 1283386061 /nfs/dbraw/zinc/38/60/61/1283386061.db2.gz DSAUAYDPCYAOMM-UFBFGSQYSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001590260192 1283386066 /nfs/dbraw/zinc/38/60/66/1283386066.db2.gz DSAUAYDPCYAOMM-UFBFGSQYSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1C(=O)[O-] ZINC001590261280 1283386186 /nfs/dbraw/zinc/38/61/86/1283386186.db2.gz LYGNIFZLVQXQHE-CABZTGNLSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1C(=O)[O-] ZINC001590261280 1283386199 /nfs/dbraw/zinc/38/61/99/1283386199.db2.gz LYGNIFZLVQXQHE-CABZTGNLSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C(=O)[O-])C1 ZINC001590275788 1283403242 /nfs/dbraw/zinc/40/32/42/1283403242.db2.gz GJMMGGFSXMMFAX-HTQZYQBOSA-N -2 3 357.417 0.802 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@H]1C(=O)[O-] ZINC001590276695 1283405010 /nfs/dbraw/zinc/40/50/10/1283405010.db2.gz PHGOAKXPDSJABT-RDDDGLTNSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H]1C(=O)[O-] ZINC001590277960 1283406706 /nfs/dbraw/zinc/40/67/06/1283406706.db2.gz ZMYOGKIWHQFWPG-LHLIQPBNSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H]1C(=O)[O-] ZINC001590277960 1283406714 /nfs/dbraw/zinc/40/67/14/1283406714.db2.gz ZMYOGKIWHQFWPG-LHLIQPBNSA-N -2 3 373.341 0.629 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1C(=O)[O-] ZINC001590285673 1283415819 /nfs/dbraw/zinc/41/58/19/1283415819.db2.gz UGXRDJGJSOCADA-CABZTGNLSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1C(=O)[O-] ZINC001590285673 1283415826 /nfs/dbraw/zinc/41/58/26/1283415826.db2.gz UGXRDJGJSOCADA-CABZTGNLSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590322787 1283465555 /nfs/dbraw/zinc/46/55/55/1283465555.db2.gz HIRUWKINQHKWBV-UWVGGRQHSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590322787 1283465560 /nfs/dbraw/zinc/46/55/60/1283465560.db2.gz HIRUWKINQHKWBV-UWVGGRQHSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590333457 1283478843 /nfs/dbraw/zinc/47/88/43/1283478843.db2.gz DZMGQVQROYWNQI-BSTOTGJRSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590333457 1283478847 /nfs/dbraw/zinc/47/88/47/1283478847.db2.gz DZMGQVQROYWNQI-BSTOTGJRSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590333789 1283479066 /nfs/dbraw/zinc/47/90/66/1283479066.db2.gz HDDUMVCPLDIBGH-BSTOTGJRSA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590333789 1283479075 /nfs/dbraw/zinc/47/90/75/1283479075.db2.gz HDDUMVCPLDIBGH-BSTOTGJRSA-N -2 3 365.415 0.731 20 0 FCADHL CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590386061 1283514587 /nfs/dbraw/zinc/51/45/87/1283514587.db2.gz WBIXCWFVYSKUNJ-CQSZACIVSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590386061 1283514596 /nfs/dbraw/zinc/51/45/96/1283514596.db2.gz WBIXCWFVYSKUNJ-CQSZACIVSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC)C(=O)[O-] ZINC001590436220 1283535782 /nfs/dbraw/zinc/53/57/82/1283535782.db2.gz JEGHDMSPXJAXGF-VIFPVBQESA-N -2 3 369.403 0.655 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC)C(=O)[O-] ZINC001590436220 1283535799 /nfs/dbraw/zinc/53/57/99/1283535799.db2.gz JEGHDMSPXJAXGF-VIFPVBQESA-N -2 3 369.403 0.655 20 0 FCADHL CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001590561482 1283606729 /nfs/dbraw/zinc/60/67/29/1283606729.db2.gz ZNYXKAQIRAUWCX-LLVKDONJSA-N -2 3 353.404 0.795 20 0 FCADHL CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001590561482 1283606748 /nfs/dbraw/zinc/60/67/48/1283606748.db2.gz ZNYXKAQIRAUWCX-LLVKDONJSA-N -2 3 353.404 0.795 20 0 FCADHL CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590612200 1283647010 /nfs/dbraw/zinc/64/70/10/1283647010.db2.gz XSSNTQZTRQHMLY-VIFPVBQESA-N -2 3 370.460 0.988 20 0 FCADHL CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590612200 1283647023 /nfs/dbraw/zinc/64/70/23/1283647023.db2.gz XSSNTQZTRQHMLY-VIFPVBQESA-N -2 3 370.460 0.988 20 0 FCADHL CCOCCC(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001590804129 1283874710 /nfs/dbraw/zinc/87/47/10/1283874710.db2.gz SXUGQRFNHSAEES-UHFFFAOYSA-N -2 3 357.367 0.378 20 0 FCADHL CCOCCC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001590804129 1283874721 /nfs/dbraw/zinc/87/47/21/1283874721.db2.gz SXUGQRFNHSAEES-UHFFFAOYSA-N -2 3 357.367 0.378 20 0 FCADHL CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c[n-]n2c1nccc2=O ZINC001590833603 1283910730 /nfs/dbraw/zinc/91/07/30/1283910730.db2.gz MMKGYMONQWLONB-UHFFFAOYSA-N -2 3 366.341 0.854 20 0 FCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[n-]n2c1nccc2=O ZINC001590833603 1283910739 /nfs/dbraw/zinc/91/07/39/1283910739.db2.gz MMKGYMONQWLONB-UHFFFAOYSA-N -2 3 366.341 0.854 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001590867604 1283939639 /nfs/dbraw/zinc/93/96/39/1283939639.db2.gz HWNOHXIPCGFZFS-CPCISQLKSA-N -2 3 357.367 0.783 20 0 FCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccn1 ZINC001590929158 1283978235 /nfs/dbraw/zinc/97/82/35/1283978235.db2.gz VJHUXUDJZQZCHV-UHFFFAOYSA-N -2 3 362.419 0.921 20 0 FCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccn1 ZINC001590929158 1283978238 /nfs/dbraw/zinc/97/82/38/1283978238.db2.gz VJHUXUDJZQZCHV-UHFFFAOYSA-N -2 3 362.419 0.921 20 0 FCADHL CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(F)c([O-])c1 ZINC001591090200 1284161925 /nfs/dbraw/zinc/16/19/25/1284161925.db2.gz OUOIVPZAJQBSCA-UHFFFAOYSA-N -2 3 360.353 0.722 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC001604617774 1287693039 /nfs/dbraw/zinc/69/30/39/1287693039.db2.gz JRIZWBIVOYKFOS-UHFFFAOYSA-N -2 3 371.814 0.579 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)C(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001591152022 1284223116 /nfs/dbraw/zinc/22/31/16/1284223116.db2.gz NIOSWDYPYWQYDE-UHFFFAOYSA-N -2 3 370.251 0.641 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001591152022 1284223122 /nfs/dbraw/zinc/22/31/22/1284223122.db2.gz NIOSWDYPYWQYDE-UHFFFAOYSA-N -2 3 370.251 0.641 20 0 FCADHL CN(c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001591158423 1284232208 /nfs/dbraw/zinc/23/22/08/1284232208.db2.gz HGGLZCKGYYILSN-CYBMUJFWSA-N -2 3 374.430 0.489 20 0 FCADHL CN1CCCc2ccc(S(=O)(=O)[N-]c3ccnc(-c4nnn[n-]4)c3)cc21 ZINC001591190651 1284307398 /nfs/dbraw/zinc/30/73/98/1284307398.db2.gz OMJNSZHNSVAVJZ-UHFFFAOYSA-N -2 3 371.426 0.867 20 0 FCADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591226924 1284367929 /nfs/dbraw/zinc/36/79/29/1284367929.db2.gz PMGCYQYFTVEEIV-UHFFFAOYSA-N -2 3 367.387 0.126 20 0 FCADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591226924 1284367937 /nfs/dbraw/zinc/36/79/37/1284367937.db2.gz PMGCYQYFTVEEIV-UHFFFAOYSA-N -2 3 367.387 0.126 20 0 FCADHL COC(=O)[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H](C(=O)[O-])C1 ZINC001591253368 1284409403 /nfs/dbraw/zinc/40/94/03/1284409403.db2.gz SEQOCUHGXSAGGQ-CMPLNLGQSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@@H](C(=O)[O-])C1 ZINC001591253368 1284409412 /nfs/dbraw/zinc/40/94/12/1284409412.db2.gz SEQOCUHGXSAGGQ-CMPLNLGQSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)c1cc(C(C)=O)c(NC(=O)c2cccc(-c3nnn[n-]3)n2)[n-]1 ZINC001591286950 1284446954 /nfs/dbraw/zinc/44/69/54/1284446954.db2.gz JPEDDZPSMBUHCK-UHFFFAOYSA-N -2 3 355.314 0.831 20 0 FCADHL CO[C@@](C)(C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001591314660 1284464420 /nfs/dbraw/zinc/46/44/20/1284464420.db2.gz LJIFBKFVRVYFMX-OAHLLOKOSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@@](C)(C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001591314660 1284464425 /nfs/dbraw/zinc/46/44/25/1284464425.db2.gz LJIFBKFVRVYFMX-OAHLLOKOSA-N -2 3 365.415 0.628 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001591374993 1284511254 /nfs/dbraw/zinc/51/12/54/1284511254.db2.gz INBIJIORDFOMID-TVYUQYBPSA-N -2 3 365.415 0.451 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001591374993 1284511265 /nfs/dbraw/zinc/51/12/65/1284511265.db2.gz INBIJIORDFOMID-TVYUQYBPSA-N -2 3 365.415 0.451 20 0 FCADHL COCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001591407621 1284549510 /nfs/dbraw/zinc/54/95/10/1284549510.db2.gz NOXKDBZKPMGBQJ-UHFFFAOYSA-N -2 3 357.367 0.378 20 0 FCADHL COCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001591407621 1284549516 /nfs/dbraw/zinc/54/95/16/1284549516.db2.gz NOXKDBZKPMGBQJ-UHFFFAOYSA-N -2 3 357.367 0.378 20 0 FCADHL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC001591421095 1284570941 /nfs/dbraw/zinc/57/09/41/1284570941.db2.gz ORWDRCGWQNREGC-SNVBAGLBSA-N -2 3 369.403 0.285 20 0 FCADHL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC001591421095 1284570944 /nfs/dbraw/zinc/57/09/44/1284570944.db2.gz ORWDRCGWQNREGC-SNVBAGLBSA-N -2 3 369.403 0.285 20 0 FCADHL COCCc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)cc1 ZINC001591447443 1284605807 /nfs/dbraw/zinc/60/58/07/1284605807.db2.gz MUNWCNUHSAZLPM-UHFFFAOYSA-N -2 3 363.403 0.888 20 0 FCADHL COCc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001591456550 1284618540 /nfs/dbraw/zinc/61/85/40/1284618540.db2.gz RSBRNQCJDYZQHJ-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL COCc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001591456550 1284618554 /nfs/dbraw/zinc/61/85/54/1284618554.db2.gz RSBRNQCJDYZQHJ-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL COCc1cccc(S(=O)(=O)[N-]c2nn(C)c(C)c2-c2nnn[n-]2)c1 ZINC001591458391 1284622613 /nfs/dbraw/zinc/62/26/13/1284622613.db2.gz YOMLWRWADWTSMB-UHFFFAOYSA-N -2 3 363.403 0.856 20 0 FCADHL CO[N-]C(=O)CNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001591467590 1284638988 /nfs/dbraw/zinc/63/89/88/1284638988.db2.gz RBSGNAVXPODVRA-UHFFFAOYSA-N -2 3 365.419 0.077 20 0 FCADHL CO[N-]C(=O)CNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001591467590 1284638994 /nfs/dbraw/zinc/63/89/94/1284638994.db2.gz RBSGNAVXPODVRA-UHFFFAOYSA-N -2 3 365.419 0.077 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)C(=O)[N-]O[C@H]1CCCCO1 ZINC001591488881 1284664112 /nfs/dbraw/zinc/66/41/12/1284664112.db2.gz FPXWVAMREKXKOW-LBPRGKRZSA-N -2 3 362.346 0.388 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)C(=O)[N-]O[C@H]1CCCCO1 ZINC001591488881 1284664122 /nfs/dbraw/zinc/66/41/22/1284664122.db2.gz FPXWVAMREKXKOW-LBPRGKRZSA-N -2 3 362.346 0.388 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001591497440 1284677041 /nfs/dbraw/zinc/67/70/41/1284677041.db2.gz YXNGYRRMBCMNSS-DIFFPNOSSA-N -2 3 373.369 0.720 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC001591506613 1284693353 /nfs/dbraw/zinc/69/33/53/1284693353.db2.gz QKGOPJVBVJGVSA-VIFPVBQESA-N -2 3 367.387 0.361 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC001591506613 1284693377 /nfs/dbraw/zinc/69/33/77/1284693377.db2.gz QKGOPJVBVJGVSA-VIFPVBQESA-N -2 3 367.387 0.361 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)ccc1-c1nnn[n-]1 ZINC001591515829 1284706977 /nfs/dbraw/zinc/70/69/77/1284706977.db2.gz PTJKVCMVRZLFCV-UHFFFAOYSA-N -2 3 366.403 0.336 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)ccc1-c1nn[n-]n1 ZINC001591515829 1284706983 /nfs/dbraw/zinc/70/69/83/1284706983.db2.gz PTJKVCMVRZLFCV-UHFFFAOYSA-N -2 3 366.403 0.336 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)ccc1-c1nnn[n-]1 ZINC001591515984 1284707167 /nfs/dbraw/zinc/70/71/67/1284707167.db2.gz XYMAYWUWFOKZEL-UHFFFAOYSA-N -2 3 365.293 0.497 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)ccc1-c1nn[n-]n1 ZINC001591515984 1284707173 /nfs/dbraw/zinc/70/71/73/1284707173.db2.gz XYMAYWUWFOKZEL-UHFFFAOYSA-N -2 3 365.293 0.497 20 0 FCADHL Cc1c(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cccc1-c1nnn[n-]1 ZINC001591824228 1284929127 /nfs/dbraw/zinc/92/91/27/1284929127.db2.gz NQZPKRPJFYJITN-MWLCHTKSSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cccc1-c1nn[n-]n1 ZINC001591824228 1284929136 /nfs/dbraw/zinc/92/91/36/1284929136.db2.gz NQZPKRPJFYJITN-MWLCHTKSSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-] ZINC001591870936 1284960931 /nfs/dbraw/zinc/96/09/31/1284960931.db2.gz UFNSAVVWAZSQSQ-GFCCVEGCSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-] ZINC001591870936 1284960939 /nfs/dbraw/zinc/96/09/39/1284960939.db2.gz UFNSAVVWAZSQSQ-GFCCVEGCSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1 ZINC001591873605 1284962344 /nfs/dbraw/zinc/96/23/44/1284962344.db2.gz UTQIVZPOLIYHIG-LBPRGKRZSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1 ZINC001591873605 1284962355 /nfs/dbraw/zinc/96/23/55/1284962355.db2.gz UTQIVZPOLIYHIG-LBPRGKRZSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(S(=O)(=O)NCCC(C)(C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592065226 1285104528 /nfs/dbraw/zinc/10/45/28/1285104528.db2.gz HCKHRRVVLVIDNA-UHFFFAOYSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(S(=O)(=O)NCCC(C)(C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592065226 1285104534 /nfs/dbraw/zinc/10/45/34/1285104534.db2.gz HCKHRRVVLVIDNA-UHFFFAOYSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC001592109161 1285142904 /nfs/dbraw/zinc/14/29/04/1285142904.db2.gz CYOKWZGZHOVLHR-OUJBWJOFSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC001592109161 1285142909 /nfs/dbraw/zinc/14/29/09/1285142909.db2.gz CYOKWZGZHOVLHR-OUJBWJOFSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592109074 1285143303 /nfs/dbraw/zinc/14/33/03/1285143303.db2.gz QRSQOKSFIKGQMR-PHIMTYICSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592109074 1285143310 /nfs/dbraw/zinc/14/33/10/1285143310.db2.gz QRSQOKSFIKGQMR-PHIMTYICSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCc1cc(C(=O)[O-])co1 ZINC001592110605 1285147140 /nfs/dbraw/zinc/14/71/40/1285147140.db2.gz SWEBIBKAPKSICG-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCc1cc(C(=O)[O-])co1 ZINC001592110605 1285147144 /nfs/dbraw/zinc/14/71/44/1285147144.db2.gz SWEBIBKAPKSICG-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC001592128063 1285157209 /nfs/dbraw/zinc/15/72/09/1285157209.db2.gz HGYNRSMLUKZOFC-LLVKDONJSA-N -2 3 365.415 0.661 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC001592128063 1285157219 /nfs/dbraw/zinc/15/72/19/1285157219.db2.gz HGYNRSMLUKZOFC-LLVKDONJSA-N -2 3 365.415 0.661 20 0 FCADHL Cc1ccc(CS(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c(F)c1 ZINC001592168556 1285169460 /nfs/dbraw/zinc/16/94/60/1285169460.db2.gz MQVQEHXAZVPOFN-UHFFFAOYSA-N -2 3 351.367 0.990 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001592215049 1285186337 /nfs/dbraw/zinc/18/63/37/1285186337.db2.gz YWXPNHVNQSKRNC-GXSJLCMTSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001592215049 1285186341 /nfs/dbraw/zinc/18/63/41/1285186341.db2.gz YWXPNHVNQSKRNC-GXSJLCMTSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001592215093 1285186362 /nfs/dbraw/zinc/18/63/62/1285186362.db2.gz ZSLRCOIJOQFDQJ-ADEWGFFLSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001592215093 1285186367 /nfs/dbraw/zinc/18/63/67/1285186367.db2.gz ZSLRCOIJOQFDQJ-ADEWGFFLSA-N -2 3 363.399 0.516 20 0 FCADHL Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC001592231666 1285188509 /nfs/dbraw/zinc/18/85/09/1285188509.db2.gz KISYOBKZILDNHY-UHFFFAOYSA-N -2 3 360.399 0.773 20 0 FCADHL Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC001592231666 1285188513 /nfs/dbraw/zinc/18/85/13/1285188513.db2.gz KISYOBKZILDNHY-UHFFFAOYSA-N -2 3 360.399 0.773 20 0 FCADHL Cc1nc([N-]S(=O)(=O)c2ccoc2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592394758 1285307156 /nfs/dbraw/zinc/30/71/56/1285307156.db2.gz XHWFSWUWPXZLTG-UHFFFAOYSA-N -2 3 372.370 0.572 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592401227 1285312067 /nfs/dbraw/zinc/31/20/67/1285312067.db2.gz DWQVUDJIIHEMFO-UHFFFAOYSA-N -2 3 354.330 0.755 20 0 FCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592401227 1285312078 /nfs/dbraw/zinc/31/20/78/1285312078.db2.gz DWQVUDJIIHEMFO-UHFFFAOYSA-N -2 3 354.330 0.755 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592413590 1285330927 /nfs/dbraw/zinc/33/09/27/1285330927.db2.gz MIJUVQHQWQPUHU-LLVKDONJSA-N -2 3 354.392 0.348 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592413590 1285330933 /nfs/dbraw/zinc/33/09/33/1285330933.db2.gz MIJUVQHQWQPUHU-LLVKDONJSA-N -2 3 354.392 0.348 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](C)CCCCC(=O)[O-])cc1-c1nnn[n-]1 ZINC001592413973 1285333849 /nfs/dbraw/zinc/33/38/49/1285333849.db2.gz XENHCFHDTTVKTJ-SECBINFHSA-N -2 3 368.419 0.882 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](C)CCCCC(=O)[O-])cc1-c1nn[n-]n1 ZINC001592413973 1285333859 /nfs/dbraw/zinc/33/38/59/1285333859.db2.gz XENHCFHDTTVKTJ-SECBINFHSA-N -2 3 368.419 0.882 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592414084 1285336763 /nfs/dbraw/zinc/33/67/63/1285336763.db2.gz ZNPVOKRNLFHWRY-UFBFGSQYSA-N -2 3 366.403 0.444 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592414084 1285336770 /nfs/dbraw/zinc/33/67/70/1285336770.db2.gz ZNPVOKRNLFHWRY-UFBFGSQYSA-N -2 3 366.403 0.444 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC001592459576 1285398650 /nfs/dbraw/zinc/39/86/50/1285398650.db2.gz JFVQHNKERPQFMS-SREVYHEPSA-N -2 3 374.382 0.990 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC001592459576 1285398660 /nfs/dbraw/zinc/39/86/60/1285398660.db2.gz JFVQHNKERPQFMS-SREVYHEPSA-N -2 3 374.382 0.990 20 0 FCADHL NC(=O)c1cccc(OCCC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)c1 ZINC001592736712 1285650782 /nfs/dbraw/zinc/65/07/82/1285650782.db2.gz NLCYJGAJKQTQMB-UHFFFAOYSA-N -2 3 368.353 0.845 20 0 FCADHL NC(=O)c1cccc(OCCC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)c1 ZINC001592736712 1285650789 /nfs/dbraw/zinc/65/07/89/1285650789.db2.gz NLCYJGAJKQTQMB-UHFFFAOYSA-N -2 3 368.353 0.845 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1c(C)nn(CC)c1C ZINC001609259942 1289023780 /nfs/dbraw/zinc/02/37/80/1289023780.db2.gz ZILRNZGSGRBHPY-UHFFFAOYSA-N -2 3 365.423 0.717 20 0 FCADHL O=C(C=Cc1ccc[nH]1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592796335 1285721396 /nfs/dbraw/zinc/72/13/96/1285721396.db2.gz ZAYQHCUAYJMWOA-BQYQJAHWSA-N -2 3 358.383 0.854 20 0 FCADHL O=C(C=Cc1ccc[nH]1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592796335 1285721400 /nfs/dbraw/zinc/72/14/00/1285721400.db2.gz ZAYQHCUAYJMWOA-BQYQJAHWSA-N -2 3 358.383 0.854 20 0 FCADHL O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592823586 1285739392 /nfs/dbraw/zinc/73/93/92/1285739392.db2.gz WQLWNIBEVFZRFK-LBPRGKRZSA-N -2 3 351.388 0.382 20 0 FCADHL O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592823586 1285739400 /nfs/dbraw/zinc/73/94/00/1285739400.db2.gz WQLWNIBEVFZRFK-LBPRGKRZSA-N -2 3 351.388 0.382 20 0 FCADHL O=C(CN1CCc2ccccc2C1=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592868898 1285776471 /nfs/dbraw/zinc/77/64/71/1285776471.db2.gz FGUGPJMKFKGCGZ-UHFFFAOYSA-N -2 3 364.365 0.975 20 0 FCADHL O=C(CN1CCc2ccccc2C1=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592868898 1285776474 /nfs/dbraw/zinc/77/64/74/1285776474.db2.gz FGUGPJMKFKGCGZ-UHFFFAOYSA-N -2 3 364.365 0.975 20 0 FCADHL O=C(COc1ccccc1-c1nnn[n-]1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592896387 1285800364 /nfs/dbraw/zinc/80/03/64/1285800364.db2.gz PZMNPWRXGPBSHK-SNVBAGLBSA-N -2 3 370.373 0.475 20 0 FCADHL O=C(COc1ccccc1-c1nn[n-]n1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592896387 1285800373 /nfs/dbraw/zinc/80/03/73/1285800373.db2.gz PZMNPWRXGPBSHK-SNVBAGLBSA-N -2 3 370.373 0.475 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC001592911723 1285808301 /nfs/dbraw/zinc/80/83/01/1285808301.db2.gz XTCBERFEEJCOBW-LBPRGKRZSA-N -2 3 365.415 0.282 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC001592911723 1285808304 /nfs/dbraw/zinc/80/83/04/1285808304.db2.gz XTCBERFEEJCOBW-LBPRGKRZSA-N -2 3 365.415 0.282 20 0 FCADHL O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001592954458 1285843183 /nfs/dbraw/zinc/84/31/83/1285843183.db2.gz NZBKYNDENKNGGI-GFCCVEGCSA-N -2 3 365.357 0.732 20 0 FCADHL O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001592954458 1285843187 /nfs/dbraw/zinc/84/31/87/1285843187.db2.gz NZBKYNDENKNGGI-GFCCVEGCSA-N -2 3 365.357 0.732 20 0 FCADHL CN(C)c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cn1 ZINC001609270660 1289035413 /nfs/dbraw/zinc/03/54/13/1289035413.db2.gz OVCCOYXJHASTED-UHFFFAOYSA-N -2 3 352.405 0.585 20 0 FCADHL O=C([O-])C1(CNC(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)CC1 ZINC001593017144 1285899938 /nfs/dbraw/zinc/89/99/38/1285899938.db2.gz NSHUQAHPERHIGN-UHFFFAOYSA-N -2 3 369.345 0.434 20 0 FCADHL O=C([O-])C1(CNC(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)CC1 ZINC001593017144 1285899941 /nfs/dbraw/zinc/89/99/41/1285899941.db2.gz NSHUQAHPERHIGN-UHFFFAOYSA-N -2 3 369.345 0.434 20 0 FCADHL O=C(NCCc1n[n-]c(=S)o1)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001593107183 1286007674 /nfs/dbraw/zinc/00/76/74/1286007674.db2.gz UDEXRUPSHLUIKJ-UHFFFAOYSA-N -2 3 357.399 0.929 20 0 FCADHL O=C(NCCc1n[n-]c(=S)o1)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001593107183 1286007680 /nfs/dbraw/zinc/00/76/80/1286007680.db2.gz UDEXRUPSHLUIKJ-UHFFFAOYSA-N -2 3 357.399 0.929 20 0 FCADHL O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1nn(-c2ccccc2F)cc1[O-] ZINC001593200007 1286039596 /nfs/dbraw/zinc/03/95/96/1286039596.db2.gz YKHAZPDRVVMHAD-UHFFFAOYSA-N -2 3 355.293 0.873 20 0 FCADHL O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)c(F)c1)C2 ZINC001593272457 1286057236 /nfs/dbraw/zinc/05/72/36/1286057236.db2.gz BOCDHBVQPHQTDL-FUXBKTLASA-N -2 3 353.335 0.101 20 0 FCADHL O=C([O-])C1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001593274844 1286058423 /nfs/dbraw/zinc/05/84/23/1286058423.db2.gz ATMCDOYEUPUSCM-UHFFFAOYSA-N -3 3 365.371 0.068 20 0 FCADHL O=C([O-])C1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001593274844 1286058427 /nfs/dbraw/zinc/05/84/27/1286058427.db2.gz ATMCDOYEUPUSCM-UHFFFAOYSA-N -3 3 365.371 0.068 20 0 FCADHL O=C([O-])C[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC001593276488 1286058893 /nfs/dbraw/zinc/05/88/93/1286058893.db2.gz KWWBLNMJCKTUOO-SECBINFHSA-N -2 3 359.264 0.767 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001593275665 1286059610 /nfs/dbraw/zinc/05/96/10/1286059610.db2.gz DRSCRZSHZDIBFW-SECBINFHSA-N -2 3 369.378 0.881 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001593275979 1286059742 /nfs/dbraw/zinc/05/97/42/1286059742.db2.gz ZGHZVSZOXSDJGW-KOLCDFICSA-N -2 3 367.362 0.455 20 0 FCADHL O=C([O-])CCCCCNC(=O)C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001593278267 1286060197 /nfs/dbraw/zinc/06/01/97/1286060197.db2.gz WWOMQHITNZYIMZ-UHFFFAOYSA-N -2 3 372.385 0.470 20 0 FCADHL O=C([O-])CCCCCNC(=O)C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001593278267 1286060202 /nfs/dbraw/zinc/06/02/02/1286060202.db2.gz WWOMQHITNZYIMZ-UHFFFAOYSA-N -2 3 372.385 0.470 20 0 FCADHL O=C([O-])CCN(c1ccccc1)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001593278644 1286061715 /nfs/dbraw/zinc/06/17/15/1286061715.db2.gz RDRRZHJMJVXUPT-UHFFFAOYSA-N -2 3 374.382 0.932 20 0 FCADHL O=C([O-])CCN(c1ccccc1)S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001593278644 1286061719 /nfs/dbraw/zinc/06/17/19/1286061719.db2.gz RDRRZHJMJVXUPT-UHFFFAOYSA-N -2 3 374.382 0.932 20 0 FCADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001593279171 1286061729 /nfs/dbraw/zinc/06/17/29/1286061729.db2.gz VKVYAOYJKSLNMW-LJGSYFOKSA-N -3 3 359.314 0.286 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001593278565 1286061778 /nfs/dbraw/zinc/06/17/78/1286061778.db2.gz MUGCALFPCIWCBN-UHFFFAOYSA-N -2 3 359.314 0.383 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593278565 1286061782 /nfs/dbraw/zinc/06/17/82/1286061782.db2.gz MUGCALFPCIWCBN-UHFFFAOYSA-N -2 3 359.314 0.383 20 0 FCADHL O=C([O-])[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001593279162 1286062062 /nfs/dbraw/zinc/06/20/62/1286062062.db2.gz UTJARFPUXCRULW-VIFPVBQESA-N -2 3 369.378 0.632 20 0 FCADHL O=C([O-])[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001593279162 1286062063 /nfs/dbraw/zinc/06/20/63/1286062063.db2.gz UTJARFPUXCRULW-VIFPVBQESA-N -2 3 369.378 0.632 20 0 FCADHL O=C([O-])CSCCNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593278533 1286062215 /nfs/dbraw/zinc/06/22/15/1286062215.db2.gz KZBJBGIZSNXODF-UHFFFAOYSA-N -2 3 357.417 0.104 20 0 FCADHL O=C([O-])CSCCNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593278533 1286062216 /nfs/dbraw/zinc/06/22/16/1286062216.db2.gz KZBJBGIZSNXODF-UHFFFAOYSA-N -2 3 357.417 0.104 20 0 FCADHL O=S(=O)([N-][C@@H]1CC12CCOCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593433318 1286154577 /nfs/dbraw/zinc/15/45/77/1286154577.db2.gz CJXYPJXNAXWQFQ-LLVKDONJSA-N -2 3 371.369 0.992 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C2)n1 ZINC001600064468 1286435260 /nfs/dbraw/zinc/43/52/60/1286435260.db2.gz OHWAMUVVVHJSPP-JTQLQIEISA-N -2 3 358.420 0.100 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)oc1C(=O)[O-] ZINC001600299566 1286472776 /nfs/dbraw/zinc/47/27/76/1286472776.db2.gz ZVEYQKBBCWREGB-VHSXEESVSA-N -2 3 360.388 0.200 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC2OCCO2)C(=O)[O-])c(F)c1F ZINC001600478857 1286493558 /nfs/dbraw/zinc/49/35/58/1286493558.db2.gz GBRVMJGHWYSPNF-MRVPVSSYSA-N -2 3 351.327 0.768 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](O)[C@@H](C)c2ccccc2)c1C(=O)[O-] ZINC001600672262 1286522106 /nfs/dbraw/zinc/52/21/06/1286522106.db2.gz BINAIWRSOYTEQT-CABZTGNLSA-N -2 3 353.400 0.859 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC[C@](C)(O)c2ccccc2)c1C(=O)[O-] ZINC001600673620 1286524745 /nfs/dbraw/zinc/52/47/45/1286524745.db2.gz KQTFRCAMBDSQPZ-HNNXBMFYSA-N -2 3 353.400 0.992 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)CNC(=O)OC(C)(C)C)c1C(=O)[O-] ZINC001600673536 1286525431 /nfs/dbraw/zinc/52/54/31/1286525431.db2.gz IUIPWQQFHBFFMG-ZETCQYMHSA-N -2 3 362.408 0.608 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCCC2)c1C(=O)[O-] ZINC001600674293 1286526599 /nfs/dbraw/zinc/52/65/99/1286526599.db2.gz XZXYHTHPVSDRSD-UHFFFAOYSA-N -2 3 365.433 0.052 20 0 FCADHL CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001609309016 1289081130 /nfs/dbraw/zinc/08/11/30/1289081130.db2.gz UQBSSLJOHVMURF-SNVBAGLBSA-N -2 3 353.404 0.280 20 0 FCADHL CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001609309016 1289081135 /nfs/dbraw/zinc/08/11/35/1289081135.db2.gz UQBSSLJOHVMURF-SNVBAGLBSA-N -2 3 353.404 0.280 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609309336 1289081385 /nfs/dbraw/zinc/08/13/85/1289081385.db2.gz ZQQMYWKQAAZVEH-DMEOUFDRSA-N -2 3 351.388 0.361 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609309336 1289081392 /nfs/dbraw/zinc/08/13/92/1289081392.db2.gz ZQQMYWKQAAZVEH-DMEOUFDRSA-N -2 3 351.388 0.361 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001600809677 1286549884 /nfs/dbraw/zinc/54/98/84/1286549884.db2.gz CSLFMGZBXGKXBW-UHFFFAOYSA-N -2 3 367.383 0.836 20 0 FCADHL Cc1oc(C)c(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)c1C(=O)[O-] ZINC001600839293 1286554061 /nfs/dbraw/zinc/55/40/61/1286554061.db2.gz MWMUYRWURAYAHN-UHFFFAOYSA-N -2 3 353.356 0.837 20 0 FCADHL Cn1cnnc1S(=O)(=O)[N-][C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001600995653 1286592685 /nfs/dbraw/zinc/59/26/85/1286592685.db2.gz XYRRVBCASJUBIW-ZDUSSCGKSA-N -2 3 358.807 0.833 20 0 FCADHL NC(=O)c1cccc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC001601167686 1286671325 /nfs/dbraw/zinc/67/13/25/1286671325.db2.gz BJTGJXQJUMKDFB-UHFFFAOYSA-N -2 3 355.397 0.461 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC(=O)NCc2cccnc2)c1 ZINC001601278955 1286711507 /nfs/dbraw/zinc/71/15/07/1286711507.db2.gz BJSRDWLFYHBDFM-UHFFFAOYSA-N -2 3 353.356 0.358 20 0 FCADHL O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001601328457 1286730480 /nfs/dbraw/zinc/73/04/80/1286730480.db2.gz UEECLFMIAYKYIV-QUBYGPBYSA-N -2 3 368.820 0.038 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNC(=O)NC2CCCCC2)o1 ZINC001601504554 1286771855 /nfs/dbraw/zinc/77/18/55/1286771855.db2.gz XPQKQFCLVGKFAR-UHFFFAOYSA-N -2 3 359.404 0.888 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@H]([C@@H]2CCCO2)C1 ZINC001601825509 1286843847 /nfs/dbraw/zinc/84/38/47/1286843847.db2.gz YPWGQJHRRZPVRJ-SWHYSGLUSA-N -2 3 372.385 0.746 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@H]([C@@H]2CCCO2)C1 ZINC001601825509 1286843858 /nfs/dbraw/zinc/84/38/58/1286843858.db2.gz YPWGQJHRRZPVRJ-SWHYSGLUSA-N -2 3 372.385 0.746 20 0 FCADHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001601871759 1286859642 /nfs/dbraw/zinc/85/96/42/1286859642.db2.gz ZWCWIQDDIBFORF-UPHRSURJSA-N -3 3 354.134 0.659 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC001609339266 1289108341 /nfs/dbraw/zinc/10/83/41/1289108341.db2.gz LKTOWLGROAJQPU-VHSXEESVSA-N -2 3 365.371 0.183 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC001609339266 1289108345 /nfs/dbraw/zinc/10/83/45/1289108345.db2.gz LKTOWLGROAJQPU-VHSXEESVSA-N -2 3 365.371 0.183 20 0 FCADHL O=C([O-])CCN1CC[C@H](N2CCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC001602010288 1286894165 /nfs/dbraw/zinc/89/41/65/1286894165.db2.gz VCLGENOPACIGOV-AWEZNQCLSA-N -2 3 361.398 0.226 20 0 FCADHL O=C([O-])CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCCF)cc1 ZINC001602075315 1286928448 /nfs/dbraw/zinc/92/84/48/1286928448.db2.gz WUPWNVXETKZYRR-UHFFFAOYSA-N -2 3 368.408 0.541 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c1F ZINC001602263980 1286977030 /nfs/dbraw/zinc/97/70/30/1286977030.db2.gz BOSAHUHOHSXLOR-SSDOTTSWSA-N -3 3 355.727 0.291 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC(=O)C1CCC(F)(F)CC1 ZINC001602506546 1287017015 /nfs/dbraw/zinc/01/70/15/1287017015.db2.gz CHKUORAIWMNFTB-UHFFFAOYSA-N -2 3 351.331 0.781 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccnc(N2CCCCC2)c1 ZINC001602507000 1287018979 /nfs/dbraw/zinc/01/89/79/1287018979.db2.gz XBVVJSKLSGOTLW-UHFFFAOYSA-N -2 3 365.415 0.972 20 0 FCADHL O=C([O-])[C@]1(N2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)CCOC1 ZINC001602624810 1287038190 /nfs/dbraw/zinc/03/81/90/1287038190.db2.gz KTEILOBVFHUKSO-KRWDZBQOSA-N -2 3 362.386 0.061 20 0 FCADHL O=C([O-])C1(CS(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)CCC1 ZINC001602631431 1287041085 /nfs/dbraw/zinc/04/10/85/1287041085.db2.gz KEKUKBAMJWBFJQ-ZDUSSCGKSA-N -2 3 367.427 0.751 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609376155 1289128139 /nfs/dbraw/zinc/12/81/39/1289128139.db2.gz WDEPMXHBPXTSLZ-CPCISQLKSA-N -2 3 355.351 0.632 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccn2)cn1C ZINC001604967134 1287823248 /nfs/dbraw/zinc/82/32/48/1287823248.db2.gz AGDHFDSWWSZQHH-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccn2)cn1C ZINC001604967134 1287823253 /nfs/dbraw/zinc/82/32/53/1287823253.db2.gz AGDHFDSWWSZQHH-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ccnc(-c2nnn[n-]2)c1 ZINC001604988313 1287828057 /nfs/dbraw/zinc/82/80/57/1287828057.db2.gz OREHWOSZFILSOI-UHFFFAOYSA-N -2 3 364.343 0.120 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ccnc(-c2nn[n-]n2)c1 ZINC001604988313 1287828061 /nfs/dbraw/zinc/82/80/61/1287828061.db2.gz OREHWOSZFILSOI-UHFFFAOYSA-N -2 3 364.343 0.120 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)ns1 ZINC001609395465 1289136611 /nfs/dbraw/zinc/13/66/11/1289136611.db2.gz IJXVKTPHDNRISV-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)ns1 ZINC001609395465 1289136615 /nfs/dbraw/zinc/13/66/15/1289136615.db2.gz IJXVKTPHDNRISV-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)[N-]O[C@@H](CO)C(C)C ZINC001605182281 1287902995 /nfs/dbraw/zinc/90/29/95/1287902995.db2.gz DWMOPGXKPKWQMI-ZDUSSCGKSA-N -2 3 351.363 0.319 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)[N-]O[C@@H](CO)C(C)C ZINC001605182281 1287903001 /nfs/dbraw/zinc/90/30/01/1287903001.db2.gz DWMOPGXKPKWQMI-ZDUSSCGKSA-N -2 3 351.363 0.319 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC001605253820 1287916815 /nfs/dbraw/zinc/91/68/15/1287916815.db2.gz PWJDNKMTRWHQTH-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL Cc1ccc([C@H](NS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C(=O)[O-])cc1 ZINC001605827884 1288095862 /nfs/dbraw/zinc/09/58/62/1288095862.db2.gz DUIJZJCPPTYLHS-ZDUSSCGKSA-N -2 3 374.382 0.674 20 0 FCADHL Cc1ccc([C@H](NS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C(=O)[O-])cc1 ZINC001605827884 1288095867 /nfs/dbraw/zinc/09/58/67/1288095867.db2.gz DUIJZJCPPTYLHS-ZDUSSCGKSA-N -2 3 374.382 0.674 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cnc(Cl)cn2)cc1-c1nnn[n-]1 ZINC001609456148 1289161532 /nfs/dbraw/zinc/16/15/32/1289161532.db2.gz CHKSZQWNHXFTAW-UHFFFAOYSA-N -2 3 352.767 0.814 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cnc(Cl)cn2)cc1-c1nn[n-]n1 ZINC001609456148 1289161535 /nfs/dbraw/zinc/16/15/35/1289161535.db2.gz CHKSZQWNHXFTAW-UHFFFAOYSA-N -2 3 352.767 0.814 20 0 FCADHL CN1C(=O)[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)Cc2ccccc21 ZINC001606186103 1288203565 /nfs/dbraw/zinc/20/35/65/1288203565.db2.gz GXCVJIBAVXHVSG-NSHDSACASA-N -2 3 350.352 0.844 20 0 FCADHL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001606237831 1288225830 /nfs/dbraw/zinc/22/58/30/1288225830.db2.gz RMXNDFFSALMDCM-NWDGAFQWSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001606237831 1288225832 /nfs/dbraw/zinc/22/58/32/1288225832.db2.gz RMXNDFFSALMDCM-NWDGAFQWSA-N -2 3 354.374 0.690 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609463352 1289164663 /nfs/dbraw/zinc/16/46/63/1289164663.db2.gz USGUQKMNPBWPQE-FPLPWBNLSA-N -2 3 374.382 0.990 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609463352 1289164667 /nfs/dbraw/zinc/16/46/67/1289164667.db2.gz USGUQKMNPBWPQE-FPLPWBNLSA-N -2 3 374.382 0.990 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCC[C@H](OC)C1 ZINC001606343323 1288265297 /nfs/dbraw/zinc/26/52/97/1288265297.db2.gz UAYFSAFSYFTYKN-NAWOPXAZSA-N -2 3 363.432 0.516 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001606430279 1288311069 /nfs/dbraw/zinc/31/10/69/1288311069.db2.gz WSLBBEVHUOTXNY-UHFFFAOYSA-N -2 3 351.373 0.223 20 0 FCADHL O=C(C=Cc1ccc[nH]1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001606482490 1288341539 /nfs/dbraw/zinc/34/15/39/1288341539.db2.gz TVGSGKCUZXVLLG-BQYQJAHWSA-N -2 3 358.383 0.854 20 0 FCADHL O=C(C=Cc1ccc[nH]1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001606482490 1288341540 /nfs/dbraw/zinc/34/15/40/1288341540.db2.gz TVGSGKCUZXVLLG-BQYQJAHWSA-N -2 3 358.383 0.854 20 0 FCADHL COC(=O)c1coc(C[N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)n1 ZINC001606631499 1288416171 /nfs/dbraw/zinc/41/61/71/1288416171.db2.gz WNVKPXSKJMUYLK-UHFFFAOYSA-N -2 3 360.388 0.916 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCSC1 ZINC001606637088 1288419100 /nfs/dbraw/zinc/41/91/00/1288419100.db2.gz UHONZIFRRZENRN-JTQLQIEISA-N -2 3 352.415 0.168 20 0 FCADHL CO[C@]1(C(=O)[O-])CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC001606698496 1288452874 /nfs/dbraw/zinc/45/28/74/1288452874.db2.gz WBBNICNFVPOSTR-QGZVFWFLSA-N -2 3 350.371 0.523 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001606862969 1288542004 /nfs/dbraw/zinc/54/20/04/1288542004.db2.gz OCEYZABTEBBSLE-CQSZACIVSA-N -2 3 372.385 0.197 20 0 FCADHL O=C([N-]OC1CCOCC1)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001606862969 1288542009 /nfs/dbraw/zinc/54/20/09/1288542009.db2.gz OCEYZABTEBBSLE-CQSZACIVSA-N -2 3 372.385 0.197 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606863709 1288542252 /nfs/dbraw/zinc/54/22/52/1288542252.db2.gz MVBDJYLIPXEANL-VIFPVBQESA-N -2 3 371.806 0.759 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606863709 1288542256 /nfs/dbraw/zinc/54/22/56/1288542256.db2.gz MVBDJYLIPXEANL-VIFPVBQESA-N -2 3 371.806 0.759 20 0 FCADHL O=C([O-])CN(C1CCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001606957965 1288574463 /nfs/dbraw/zinc/57/44/63/1288574463.db2.gz MMNAEXMLKHBOPY-UHFFFAOYSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001606959662 1288575476 /nfs/dbraw/zinc/57/54/76/1288575476.db2.gz LHDALGLEDWARQY-WXHSDQCUSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001606959662 1288575478 /nfs/dbraw/zinc/57/54/78/1288575478.db2.gz LHDALGLEDWARQY-WXHSDQCUSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001606959659 1288575490 /nfs/dbraw/zinc/57/54/90/1288575490.db2.gz LHDALGLEDWARQY-UHTWSYAYSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001606959659 1288575492 /nfs/dbraw/zinc/57/54/92/1288575492.db2.gz LHDALGLEDWARQY-UHTWSYAYSA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001606959554 1288575719 /nfs/dbraw/zinc/57/57/19/1288575719.db2.gz KMPUCBYTYITBEL-CYBMUJFWSA-N -2 3 359.367 0.971 20 0 FCADHL O=C([O-])[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001606959554 1288575721 /nfs/dbraw/zinc/57/57/21/1288575721.db2.gz KMPUCBYTYITBEL-CYBMUJFWSA-N -2 3 359.367 0.971 20 0 FCADHL O=C([O-])[C@H](CC1CC1)NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606959701 1288575731 /nfs/dbraw/zinc/57/57/31/1288575731.db2.gz LOICVZZKPCABRV-LBPRGKRZSA-N -2 3 351.388 0.539 20 0 FCADHL O=C([O-])C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606961596 1288576405 /nfs/dbraw/zinc/57/64/05/1288576405.db2.gz WCAWKUOYPABIHW-LLVKDONJSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606961596 1288576407 /nfs/dbraw/zinc/57/64/07/1288576407.db2.gz WCAWKUOYPABIHW-LLVKDONJSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC12CCCC2 ZINC001606961051 1288576491 /nfs/dbraw/zinc/57/64/91/1288576491.db2.gz PBXJKXBXGRUKTL-GFCCVEGCSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])[C@H]1N(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC12CCCC2 ZINC001606961051 1288576493 /nfs/dbraw/zinc/57/64/93/1288576493.db2.gz PBXJKXBXGRUKTL-GFCCVEGCSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1(F)F ZINC001606961575 1288576560 /nfs/dbraw/zinc/57/65/60/1288576560.db2.gz VIZDJTHQDBHCMA-SNVBAGLBSA-N -2 3 373.341 0.597 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1(F)F ZINC001606961575 1288576561 /nfs/dbraw/zinc/57/65/61/1288576561.db2.gz VIZDJTHQDBHCMA-SNVBAGLBSA-N -2 3 373.341 0.597 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001606960219 1288576618 /nfs/dbraw/zinc/57/66/18/1288576618.db2.gz HGDYFJHPIXPLLM-SNVBAGLBSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001606960219 1288576620 /nfs/dbraw/zinc/57/66/20/1288576620.db2.gz HGDYFJHPIXPLLM-SNVBAGLBSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001606960740 1288576656 /nfs/dbraw/zinc/57/66/56/1288576656.db2.gz KYABEVXBEAUXLG-UHFFFAOYSA-N -2 3 351.388 0.493 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001606960740 1288576658 /nfs/dbraw/zinc/57/66/58/1288576658.db2.gz KYABEVXBEAUXLG-UHFFFAOYSA-N -2 3 351.388 0.493 20 0 FCADHL O=C([O-])[C@]1(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCOC1 ZINC001606961181 1288576698 /nfs/dbraw/zinc/57/66/98/1288576698.db2.gz YBBNVKKCHWDZHH-LBPRGKRZSA-N -2 3 373.778 0.042 20 0 FCADHL O=C([O-])[C@]1(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCOC1 ZINC001606961181 1288576701 /nfs/dbraw/zinc/57/67/01/1288576701.db2.gz YBBNVKKCHWDZHH-LBPRGKRZSA-N -2 3 373.778 0.042 20 0 FCADHL O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001607033758 1288603307 /nfs/dbraw/zinc/60/33/07/1288603307.db2.gz BPGOKRREEAQNMY-RYUDHWBXSA-N -2 3 364.369 0.466 20 0 FCADHL O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001607033758 1288603309 /nfs/dbraw/zinc/60/33/09/1288603309.db2.gz BPGOKRREEAQNMY-RYUDHWBXSA-N -2 3 364.369 0.466 20 0 FCADHL O=C1NCCc2ccc([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)cc21 ZINC001607051737 1288620125 /nfs/dbraw/zinc/62/01/25/1288620125.db2.gz CMELJEKVKIZOGL-UHFFFAOYSA-N -2 3 371.382 0.348 20 0 FCADHL O=C1NCCc2ccc([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)cc21 ZINC001607051737 1288620128 /nfs/dbraw/zinc/62/01/28/1288620128.db2.gz CMELJEKVKIZOGL-UHFFFAOYSA-N -2 3 371.382 0.348 20 0 FCADHL O=S(=O)([N-]C[C@@]1(C(F)(F)F)CCCN1)c1ccc(-c2nn[n-]n2)o1 ZINC001607063373 1288635784 /nfs/dbraw/zinc/63/57/84/1288635784.db2.gz RNXVICWXNSNYCO-SNVBAGLBSA-N -2 3 366.325 0.423 20 0 FCADHL O=S(=O)([N-]C[C@@]1(C(F)(F)F)CCCN1)c1ccc(-c2nnn[n-]2)o1 ZINC001607063373 1288635785 /nfs/dbraw/zinc/63/57/85/1288635785.db2.gz RNXVICWXNSNYCO-SNVBAGLBSA-N -2 3 366.325 0.423 20 0 FCADHL O=S(=O)(c1ncc[n-]1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001607073313 1288645188 /nfs/dbraw/zinc/64/51/88/1288645188.db2.gz GYCKYBHMQXXPHS-UHFFFAOYSA-N -2 3 374.430 0.491 20 0 FCADHL O=c1cc(CN2CCO[C@H](C(F)F)CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607110722 1288667608 /nfs/dbraw/zinc/66/76/08/1288667608.db2.gz HIWXLXFSUVZRCE-JTQLQIEISA-N -2 3 366.332 0.471 20 0 FCADHL COc1cc(S(=O)(=O)N2Cc3nc(C)[n-]c(=O)c3C2)ccc1C(=O)[O-] ZINC001607190925 1288682092 /nfs/dbraw/zinc/68/20/92/1288682092.db2.gz REOOQQUBALWLTD-UHFFFAOYSA-N -2 3 365.367 0.902 20 0 FCADHL COc1ccc(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)c(C(=O)[O-])c1 ZINC001607284997 1288692854 /nfs/dbraw/zinc/69/28/54/1288692854.db2.gz CIRBJVCGIMZWLZ-UHFFFAOYSA-N -2 3 365.367 0.636 20 0 FCADHL C[C@H](NC(=O)[C@H](C)NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC001607458198 1288711655 /nfs/dbraw/zinc/71/16/55/1288711655.db2.gz DCAKWYGKSIHQBZ-BQBZGAKWSA-N -2 3 359.176 0.862 20 0 FCADHL Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3occc3C(=O)[O-])C2)n(C)n1 ZINC001607669877 1288731442 /nfs/dbraw/zinc/73/14/42/1288731442.db2.gz RQIWBXAKOIQRQQ-NSHDSACASA-N -2 3 368.415 0.967 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)c1C(=O)[O-] ZINC001607939288 1288750108 /nfs/dbraw/zinc/75/01/08/1288750108.db2.gz AZDKTASIAPOPNM-RNCFNFMXSA-N -2 3 361.445 0.749 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2ccnc(-n3cccn3)c2)c1C(=O)[O-] ZINC001607938430 1288750138 /nfs/dbraw/zinc/75/01/38/1288750138.db2.gz PYMALRPNTXRFGJ-UHFFFAOYSA-N -2 3 362.371 0.476 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)O2)c1C(=O)[O-] ZINC001607940057 1288750212 /nfs/dbraw/zinc/75/02/12/1288750212.db2.gz KZYILNJXUIXZRB-JTQLQIEISA-N -2 3 359.404 0.423 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2CCN(C(=O)OC(C)C)CC2)c1C(=O)[O-] ZINC001607940409 1288750230 /nfs/dbraw/zinc/75/02/30/1288750230.db2.gz QJYHVGUADZFCLR-UHFFFAOYSA-N -2 3 374.419 0.704 20 0 FCADHL Cn1c(=O)ccc2c1CCC[C@@H]2[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001608092256 1288767201 /nfs/dbraw/zinc/76/72/01/1288767201.db2.gz OMGIYJNHWURPGQ-VIFPVBQESA-N -2 3 369.424 0.896 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCNC(=O)NC2CCCCC2)c1 ZINC001608445982 1288841416 /nfs/dbraw/zinc/84/14/16/1288841416.db2.gz URUWTJDHNCHCDW-UHFFFAOYSA-N -2 3 359.404 0.888 20 0 FCADHL O=C([O-])[C@H](CO)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001608485200 1288849319 /nfs/dbraw/zinc/84/93/19/1288849319.db2.gz DHTCBMCGQBKSOW-LBPRGKRZSA-N -2 3 371.346 0.130 20 0 FCADHL O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001608851891 1288875903 /nfs/dbraw/zinc/87/59/03/1288875903.db2.gz SELOALKSIWYHFM-UHFFFAOYSA-N -2 3 353.331 0.767 20 0 FCADHL O=C([O-])C(F)=C(NCc1ccc(F)cc1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001609044022 1288886544 /nfs/dbraw/zinc/88/65/44/1288886544.db2.gz JAQCPVVYZNLBPA-SECBINFHSA-N -3 3 355.322 0.123 20 0 FCADHL O=C([O-])C(F)=C(Nc1ccc(F)c(F)c1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001609044804 1288886743 /nfs/dbraw/zinc/88/67/43/1288886743.db2.gz XWVBJJMKUDKFFI-QMMMGPOBSA-N -3 3 359.285 0.584 20 0 FCADHL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(C)c1 ZINC001609065338 1288896673 /nfs/dbraw/zinc/89/66/73/1288896673.db2.gz CXIHWLGGQVQRHE-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(C)c1 ZINC001609065338 1288896675 /nfs/dbraw/zinc/89/66/75/1288896675.db2.gz CXIHWLGGQVQRHE-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070644 1288900394 /nfs/dbraw/zinc/90/03/94/1288900394.db2.gz SPEIUTHKJJCGRV-MRVPVSSYSA-N -2 3 366.345 0.754 20 0 FCADHL C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001609070644 1288900395 /nfs/dbraw/zinc/90/03/95/1288900395.db2.gz SPEIUTHKJJCGRV-MRVPVSSYSA-N -2 3 366.345 0.754 20 0 FCADHL CC(C)(CCNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001609083752 1288909546 /nfs/dbraw/zinc/90/95/46/1288909546.db2.gz ONVQVKITTZWFIP-UHFFFAOYSA-N -2 3 353.404 0.787 20 0 FCADHL CC(C)[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001609104176 1288921102 /nfs/dbraw/zinc/92/11/02/1288921102.db2.gz WDDPHCWAODGRGW-JTQLQIEISA-N -2 3 350.310 0.170 20 0 FCADHL CC(C)[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)[O-] ZINC001609104176 1288921107 /nfs/dbraw/zinc/92/11/07/1288921107.db2.gz WDDPHCWAODGRGW-JTQLQIEISA-N -2 3 350.310 0.170 20 0 FCADHL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001609104226 1288922058 /nfs/dbraw/zinc/92/20/58/1288922058.db2.gz ZBENVBSXVIWZTJ-SNVBAGLBSA-N -2 3 350.310 0.170 20 0 FCADHL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001609104226 1288922060 /nfs/dbraw/zinc/92/20/60/1288922060.db2.gz ZBENVBSXVIWZTJ-SNVBAGLBSA-N -2 3 350.310 0.170 20 0 FCADHL C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609109550 1288925119 /nfs/dbraw/zinc/92/51/19/1288925119.db2.gz FAQVDDGXQJYNMW-VIFPVBQESA-N -2 3 354.392 0.574 20 0 FCADHL C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609109550 1288925127 /nfs/dbraw/zinc/92/51/27/1288925127.db2.gz FAQVDDGXQJYNMW-VIFPVBQESA-N -2 3 354.392 0.574 20 0 FCADHL CCC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001609180566 1288973683 /nfs/dbraw/zinc/97/36/83/1288973683.db2.gz FIXPNALVANWISS-NSHDSACASA-N -2 3 371.350 0.107 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609199118 1288983070 /nfs/dbraw/zinc/98/30/70/1288983070.db2.gz PJARGEMGAIQSFK-VXGBXAGGSA-N -2 3 351.388 0.741 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609199118 1288983072 /nfs/dbraw/zinc/98/30/72/1288983072.db2.gz PJARGEMGAIQSFK-VXGBXAGGSA-N -2 3 351.388 0.741 20 0 FCADHL CCOC1CC(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001609237515 1289010030 /nfs/dbraw/zinc/01/00/30/1289010030.db2.gz LJMBWEYDJXHKCL-UHFFFAOYSA-N -2 3 365.415 0.628 20 0 FCADHL CCOC1CC(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001609237515 1289010033 /nfs/dbraw/zinc/01/00/33/1289010033.db2.gz LJMBWEYDJXHKCL-UHFFFAOYSA-N -2 3 365.415 0.628 20 0 FCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609517002 1289191581 /nfs/dbraw/zinc/19/15/81/1289191581.db2.gz QAXBSLVDFRLVHT-OWOJBTEDSA-N -2 3 364.387 0.049 20 0 FCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609517002 1289191583 /nfs/dbraw/zinc/19/15/83/1289191583.db2.gz QAXBSLVDFRLVHT-OWOJBTEDSA-N -2 3 364.387 0.049 20 0 FCADHL O=C(CCCC(=O)C1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609521774 1289192771 /nfs/dbraw/zinc/19/27/71/1289192771.db2.gz LPXRQPVMYRQNCT-UHFFFAOYSA-N -2 3 363.399 0.821 20 0 FCADHL O=C(CCCC(=O)C1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609521774 1289192775 /nfs/dbraw/zinc/19/27/75/1289192775.db2.gz LPXRQPVMYRQNCT-UHFFFAOYSA-N -2 3 363.399 0.821 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@@H]1CCCC(F)(F)C1 ZINC001609560349 1289224582 /nfs/dbraw/zinc/22/45/82/1289224582.db2.gz JRSKDYAYCVZWCJ-MRVPVSSYSA-N -2 3 372.357 0.892 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@@H]1CCCC(F)(F)C1 ZINC001609560349 1289224587 /nfs/dbraw/zinc/22/45/87/1289224587.db2.gz JRSKDYAYCVZWCJ-MRVPVSSYSA-N -2 3 372.357 0.892 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1csc(-c2nnn[n-]2)c1 ZINC001609560069 1289225755 /nfs/dbraw/zinc/22/57/55/1289225755.db2.gz RTIHHPMSLCNLMZ-VIFPVBQESA-N -2 3 357.417 0.557 20 0 FCADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC001609571574 1289232309 /nfs/dbraw/zinc/23/23/09/1289232309.db2.gz NJZICYGMPNKNLN-YFKPBYRVSA-N -3 3 369.281 0.391 20 0 FCADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(F)(F)F ZINC001609571574 1289232316 /nfs/dbraw/zinc/23/23/16/1289232316.db2.gz NJZICYGMPNKNLN-YFKPBYRVSA-N -3 3 369.281 0.391 20 0 FCADHL O=C([O-])c1cccc(CNS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001609572743 1289234271 /nfs/dbraw/zinc/23/42/71/1289234271.db2.gz KZFPJQAHFHMEFY-UHFFFAOYSA-N -2 3 360.355 0.438 20 0 FCADHL O=C([O-])c1cccc(CNS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001609572743 1289234280 /nfs/dbraw/zinc/23/42/80/1289234280.db2.gz KZFPJQAHFHMEFY-UHFFFAOYSA-N -2 3 360.355 0.438 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)c[nH]1 ZINC001609572225 1289235082 /nfs/dbraw/zinc/23/50/82/1289235082.db2.gz LELBKILWSCTFQW-UHFFFAOYSA-N -3 3 352.307 0.833 20 0 FCADHL O=C1NCc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609590188 1289246689 /nfs/dbraw/zinc/24/66/89/1289246689.db2.gz OGGHOIWDOPMAHD-UHFFFAOYSA-N -2 3 357.355 0.306 20 0 FCADHL O=S(=O)([N-]c1nnc(-c2ccco2)o1)c1cncc(-c2nnn[n-]2)c1 ZINC001609596485 1289253685 /nfs/dbraw/zinc/25/36/85/1289253685.db2.gz MRGQIKDHCIKFBR-UHFFFAOYSA-N -2 3 360.315 0.706 20 0 FCADHL O=S(=O)([N-]c1nnc(-c2ccco2)o1)c1cncc(-c2nn[n-]n2)c1 ZINC001609596485 1289253689 /nfs/dbraw/zinc/25/36/89/1289253689.db2.gz MRGQIKDHCIKFBR-UHFFFAOYSA-N -2 3 360.315 0.706 20 0 FCADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001609716141 1289286198 /nfs/dbraw/zinc/28/61/98/1289286198.db2.gz WVCADFYGGOFJPD-ZJUUUORDSA-N -2 3 353.341 0.164 20 0 FCADHL C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001609748050 1289289597 /nfs/dbraw/zinc/28/95/97/1289289597.db2.gz JAAFQMDZZYMNMM-LURJTMIESA-N -2 3 373.811 0.889 20 0 FCADHL CCC[C@@](C)(NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-] ZINC001609954144 1289334178 /nfs/dbraw/zinc/33/41/78/1289334178.db2.gz XOWDHKMRRSAVCV-GFCCVEGCSA-N -2 3 362.180 0.471 20 0 FCADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])[C@]12CCCO2 ZINC001610031045 1289351830 /nfs/dbraw/zinc/35/18/30/1289351830.db2.gz LRSUSWNOUDTPIC-IMSIIYSGSA-N -2 3 359.404 0.421 20 0 FCADHL CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001610093883 1289368351 /nfs/dbraw/zinc/36/83/51/1289368351.db2.gz RSCXXHROZFGEQF-IUCAKERBSA-N -2 3 361.445 0.767 20 0 FCADHL CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC001610372245 1289472317 /nfs/dbraw/zinc/47/23/17/1289472317.db2.gz LIVVPAQIONMKRT-UHFFFAOYSA-N -2 3 351.402 0.471 20 0 FCADHL Cc1cc(N2CCC([N-]S(=O)(=O)c3scnc3C(=O)[O-])CC2)n[nH]1 ZINC001610469229 1289490322 /nfs/dbraw/zinc/49/03/22/1289490322.db2.gz JXPAHSZMLBZMCT-UHFFFAOYSA-N -2 3 371.444 0.820 20 0 FCADHL O=C([O-])[C@H]1CCCCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001610744246 1289575086 /nfs/dbraw/zinc/57/50/86/1289575086.db2.gz STKKTULUALCQCG-SECBINFHSA-N -2 3 374.191 0.567 20 0 FCADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)s1 ZINC001610807839 1289599159 /nfs/dbraw/zinc/59/91/59/1289599159.db2.gz DXLRTDJKBQZURI-PHDIDXHHSA-N -2 3 372.218 0.247 20 0 FCADHL O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC001610804652 1289599632 /nfs/dbraw/zinc/59/96/32/1289599632.db2.gz DRMAHICEBLLZCZ-KNVOCYPGSA-N -2 3 357.779 0.662 20 0 FCADHL O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC001610804652 1289599636 /nfs/dbraw/zinc/59/96/36/1289599636.db2.gz DRMAHICEBLLZCZ-KNVOCYPGSA-N -2 3 357.779 0.662 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450643 836527938 /nfs/dbraw/zinc/52/79/38/836527938.db2.gz WOCVTQRVPQETOP-UHFFFAOYSA-N -2 3 362.327 0.042 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450643 836527944 /nfs/dbraw/zinc/52/79/44/836527944.db2.gz WOCVTQRVPQETOP-UHFFFAOYSA-N -2 3 362.327 0.042 20 0 FCADHL C[C@H](CN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nn[n-]n1 ZINC001138058143 849296236 /nfs/dbraw/zinc/29/62/36/849296236.db2.gz UMZISFMWGCBUFX-MRVPVSSYSA-N -2 3 374.373 0.018 20 0 FCADHL N=C(NC(=O)c1cccc2c1[N-]C(=O)C2=O)SCCS(=O)(=O)[O-] ZINC001152461337 849713511 /nfs/dbraw/zinc/71/35/11/849713511.db2.gz ZNZVHWWSJLFJHG-UHFFFAOYSA-N -2 3 357.369 0.107 20 0 FCADHL Cn1ccc(C(=O)Nc2ncc(Br)[n-]c2=O)c1CC(=O)[O-] ZINC001177368863 850843620 /nfs/dbraw/zinc/84/36/20/850843620.db2.gz AHWJIUSBGMGHRY-UHFFFAOYSA-N -2 3 355.148 0.750 20 0 FCADHL CCOC(=O)[C@H](Cc1cnc[nH]1)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180179933 851017823 /nfs/dbraw/zinc/01/78/23/851017823.db2.gz JJOCJGHEMNUQNM-ZETCQYMHSA-N -2 3 355.244 0.355 20 0 FCADHL O=C(CCN1C(=O)Cc2ccccc2C1=O)NCCCCP(=O)([O-])[O-] ZINC001183529955 851250830 /nfs/dbraw/zinc/25/08/30/851250830.db2.gz ITRYFUZWRHJYBY-UHFFFAOYSA-N -2 3 368.326 0.676 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c([O-])c2)cc1C(=O)[O-] ZINC001185313807 851351083 /nfs/dbraw/zinc/35/10/83/851351083.db2.gz GLNLCUOBQQCIDW-UHFFFAOYSA-N -3 3 366.351 0.999 20 0 FCADHL COc1ncnc(OC)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185565817 851361588 /nfs/dbraw/zinc/36/15/88/851361588.db2.gz FDEGJKTUMFCTGY-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL COc1ncnc(OC)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185565817 851361596 /nfs/dbraw/zinc/36/15/96/851361596.db2.gz FDEGJKTUMFCTGY-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL COC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566324 851363739 /nfs/dbraw/zinc/36/37/39/851363739.db2.gz MAHNTJFEBSUWNV-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566324 851363746 /nfs/dbraw/zinc/36/37/46/851363746.db2.gz MAHNTJFEBSUWNV-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(F)(F)F ZINC001186209777 851419437 /nfs/dbraw/zinc/41/94/37/851419437.db2.gz PNKOVMJSERUSKH-QMMMGPOBSA-N -2 3 359.253 0.906 20 0 FCADHL Cn1c(=O)nc([O-])cc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC001187158886 851520214 /nfs/dbraw/zinc/52/02/14/851520214.db2.gz LJKDPIJSTSXWOR-UHFFFAOYSA-N -2 3 361.792 0.649 20 0 FCADHL O=C([O-])CCc1ccc(S(=O)(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001192149414 852188629 /nfs/dbraw/zinc/18/86/29/852188629.db2.gz HYEXPJPSYFHOOP-GFCCVEGCSA-N -2 3 353.400 0.494 20 0 FCADHL CCOc1ccc(S(=O)(=O)NCCCc2c[n-][nH]c2=O)cc1C(=O)[O-] ZINC001192658109 852270816 /nfs/dbraw/zinc/27/08/16/852270816.db2.gz UUTICTLAAPSDBT-SNVBAGLBSA-N -2 3 369.399 0.574 20 0 FCADHL NC(=O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193283414 852402539 /nfs/dbraw/zinc/40/25/39/852402539.db2.gz JJHGKPXCUCEUTK-UHFFFAOYSA-N -2 3 363.395 0.798 20 0 FCADHL COC(=O)c1cc(C(=O)Nc2c(C(=O)OC)c[n-]c2C(=O)OC)n[n-]1 ZINC001194284259 852572610 /nfs/dbraw/zinc/57/26/10/852572610.db2.gz WFLDOLABFZAVSU-UHFFFAOYSA-N -2 3 350.287 0.350 20 0 FCADHL COC(=O)c1cc(C(=O)Nc2c(C(=O)OC)c[n-]c2C(=O)OC)[n-]n1 ZINC001194284259 852572613 /nfs/dbraw/zinc/57/26/13/852572613.db2.gz WFLDOLABFZAVSU-UHFFFAOYSA-N -2 3 350.287 0.350 20 0 FCADHL O=C1[N-]S(=O)(=O)c2cc([N-]S(=O)(=O)C3CCC(=O)CC3)ccc21 ZINC001194803392 852655804 /nfs/dbraw/zinc/65/58/04/852655804.db2.gz DAGDDXKBFLPOSY-UHFFFAOYSA-N -2 3 358.397 0.372 20 0 FCADHL CN1CCO[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195245835 852730663 /nfs/dbraw/zinc/73/06/63/852730663.db2.gz SZNFSYABVYQNAN-MRVPVSSYSA-N -2 3 350.343 0.272 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2SC(=O)[N-]C2=O)c(F)cc1F ZINC001195250167 852731556 /nfs/dbraw/zinc/73/15/56/852731556.db2.gz VBVRCSDOGAKKGQ-MRVPVSSYSA-N -3 3 352.296 0.250 20 0 FCADHL CN1CCC(CO)([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001195267950 852734558 /nfs/dbraw/zinc/73/45/58/852734558.db2.gz JCIFPWFVWWEABT-UHFFFAOYSA-N -2 3 364.370 0.398 20 0 FCADHL O=C([N-]C1=CCOC1=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC001195366638 852750882 /nfs/dbraw/zinc/75/08/82/852750882.db2.gz QRZZDZVGBWJYIT-UHFFFAOYSA-N -2 3 355.221 0.660 20 0 FCADHL CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1cc([O-])cc(C(N)=O)c1 ZINC001195644559 852804576 /nfs/dbraw/zinc/80/45/76/852804576.db2.gz CRZAMFXOHSAMNZ-UHFFFAOYSA-N -2 3 365.367 0.864 20 0 FCADHL Cc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])[n-]c(=O)nc12 ZINC001229407846 857268609 /nfs/dbraw/zinc/26/86/09/857268609.db2.gz QGOHOEYYGXJOJJ-LDYMZIIASA-N -3 3 350.283 0.086 20 0 FCADHL O=C(Oc1[n-]c(=O)ncc1-c1ccccc1)[C@H](O)COP(=O)([O-])[O-] ZINC001230975014 857352499 /nfs/dbraw/zinc/35/24/99/857352499.db2.gz OQPZRRROGWZCQD-SNVBAGLBSA-N -3 3 356.227 0.225 20 0 FCADHL CC(C)(C)OC(=O)N1CCO[C@@H](COc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233936733 857393259 /nfs/dbraw/zinc/39/32/59/857393259.db2.gz ZXZPRGGCKSQZDB-SECBINFHSA-N -2 3 351.363 0.661 20 0 FCADHL COc1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cc1OC ZINC001257147337 858121394 /nfs/dbraw/zinc/12/13/94/858121394.db2.gz WEBJMBQRGOZVFH-UHFFFAOYSA-N -2 3 353.333 0.940 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCNC(=O)C2)c(F)cc1Cl ZINC001259222145 858249207 /nfs/dbraw/zinc/24/92/07/858249207.db2.gz JYIPYUISRWDUCI-ZCFIWIBFSA-N -2 3 350.755 0.734 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCNC2=O)c(F)cc1Cl ZINC001259222303 858249832 /nfs/dbraw/zinc/24/98/32/858249832.db2.gz NWFPSSVWVDJRIP-SECBINFHSA-N -2 3 350.755 0.734 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCOCCO)c(F)cc1Cl ZINC001259224911 858250121 /nfs/dbraw/zinc/25/01/21/858250121.db2.gz VBIMNOJOKIZDLJ-UHFFFAOYSA-N -2 3 355.771 0.855 20 0 FCADHL CSc1nc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)cc(=O)[n-]1 ZINC001260167627 858340998 /nfs/dbraw/zinc/34/09/98/858340998.db2.gz MORSDNONASYODW-UHFFFAOYSA-N -2 3 373.807 0.796 20 0 FCADHL O=P([O-])([O-])OCC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261075948 858443648 /nfs/dbraw/zinc/44/36/48/858443648.db2.gz VYXLYUBZXZNMIF-UHFFFAOYSA-N -3 3 357.668 0.264 20 0 FCADHL C[C@H](CC(=O)N[C@H](C)CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001322714867 868916615 /nfs/dbraw/zinc/91/66/15/868916615.db2.gz LUEJKPVBSIMKHK-RKDXNWHRSA-N -2 3 363.823 0.771 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CCNC(=O)C2CC2)c1F ZINC000322347692 970875031 /nfs/dbraw/zinc/87/50/31/970875031.db2.gz FCXLHSNLQQDEFP-UHFFFAOYSA-N -2 3 364.782 0.982 20 0 FCADHL C[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001573754723 948747485 /nfs/dbraw/zinc/74/74/85/948747485.db2.gz JHHYFPGXKVDOFG-SSDOTTSWSA-N -2 3 356.350 0.032 20 0 FCADHL C[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001573754723 948747487 /nfs/dbraw/zinc/74/74/87/948747487.db2.gz JHHYFPGXKVDOFG-SSDOTTSWSA-N -2 3 356.350 0.032 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC001574472889 949555705 /nfs/dbraw/zinc/55/57/05/949555705.db2.gz WQLFLAMEFAGWNL-UHFFFAOYSA-N -2 3 367.370 0.515 20 0 FCADHL C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1ncccc1[O-] ZINC001574987238 950286745 /nfs/dbraw/zinc/28/67/45/950286745.db2.gz AVJFKWAFROKQQQ-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1ncccc1[O-] ZINC001574987238 950286766 /nfs/dbraw/zinc/28/67/66/950286766.db2.gz AVJFKWAFROKQQQ-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL COCC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000379670717 971653342 /nfs/dbraw/zinc/65/33/42/971653342.db2.gz IDGOCWUGWKIJSN-ZCFIWIBFSA-N -2 3 372.193 0.416 20 0 FCADHL CC(C)(C)OC(=O)NC[C@H](O)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001573860644 950425474 /nfs/dbraw/zinc/42/54/74/950425474.db2.gz KLOSNKCSOGNCOV-NSHDSACASA-N -2 3 364.362 0.162 20 0 FCADHL CC(C)(C)OC(=O)NC[C@H](O)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001573860644 950425486 /nfs/dbraw/zinc/42/54/86/950425486.db2.gz KLOSNKCSOGNCOV-NSHDSACASA-N -2 3 364.362 0.162 20 0 FCADHL C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ncccc1[O-] ZINC001575009291 950784610 /nfs/dbraw/zinc/78/46/10/950784610.db2.gz RXFCLPGFBAUOOZ-SECBINFHSA-N -2 3 370.373 0.091 20 0 FCADHL O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)c1ncccc1[O-] ZINC001571012637 951273897 /nfs/dbraw/zinc/27/38/97/951273897.db2.gz ROHIXYOLPPRBDE-YABSGUDNSA-N -2 3 364.369 0.227 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1cncc(-c2nnn[n-]2)n1 ZINC001575067448 951612167 /nfs/dbraw/zinc/61/21/67/951612167.db2.gz MEIQTNKATKFZLS-VIFPVBQESA-N -2 3 355.362 0.235 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1cncc(-c2nn[n-]n2)n1 ZINC001575067448 951612174 /nfs/dbraw/zinc/61/21/74/951612174.db2.gz MEIQTNKATKFZLS-VIFPVBQESA-N -2 3 355.362 0.235 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575067473 951614694 /nfs/dbraw/zinc/61/46/94/951614694.db2.gz MJPGRTPVYFLKFY-VIFPVBQESA-N -2 3 355.362 0.235 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575067473 951614706 /nfs/dbraw/zinc/61/47/06/951614706.db2.gz MJPGRTPVYFLKFY-VIFPVBQESA-N -2 3 355.362 0.235 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C)c1[O-] ZINC001571057132 951888208 /nfs/dbraw/zinc/88/82/08/951888208.db2.gz SIKIWFRDYUYTBL-LDYMZIIASA-N -2 3 369.389 0.254 20 0 FCADHL C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncccc1[O-] ZINC001575157614 952266598 /nfs/dbraw/zinc/26/65/98/952266598.db2.gz NPTUPPMAXFCZRG-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncccc1[O-] ZINC001575157614 952266603 /nfs/dbraw/zinc/26/66/03/952266603.db2.gz NPTUPPMAXFCZRG-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncccc1[O-] ZINC001575177670 952402497 /nfs/dbraw/zinc/40/24/97/952402497.db2.gz ISOHAVYZJNIYSW-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncccc1[O-] ZINC001575177670 952402502 /nfs/dbraw/zinc/40/25/02/952402502.db2.gz ISOHAVYZJNIYSW-SECBINFHSA-N -2 3 355.362 0.330 20 0 FCADHL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001594888807 954493863 /nfs/dbraw/zinc/49/38/63/954493863.db2.gz IQEQRVNXCVDMMT-SDNRWEOFSA-N -2 3 374.319 0.636 20 0 FCADHL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001594888808 954494467 /nfs/dbraw/zinc/49/44/67/954494467.db2.gz IQEQRVNXCVDMMT-TURQNECASA-N -2 3 374.319 0.636 20 0 FCADHL C[C@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000389859369 972252710 /nfs/dbraw/zinc/25/27/10/972252710.db2.gz FMKAZCXJSMJOII-FZMZJTMJSA-N -2 3 364.427 0.907 20 0 FCADHL COCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391405481 972334535 /nfs/dbraw/zinc/33/45/35/972334535.db2.gz FZNMWJNDRKUOAB-CYBMUJFWSA-N -2 3 353.343 0.729 20 0 FCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)[O-] ZINC001574436391 961417601 /nfs/dbraw/zinc/41/76/01/961417601.db2.gz RENKTJMGVHZHRW-LBPRGKRZSA-N -2 3 361.383 0.407 20 0 FCADHL O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1cccc([O-])c1Br ZINC001574669473 962543457 /nfs/dbraw/zinc/54/34/57/962543457.db2.gz TTYUKYHNOGTTKC-SECBINFHSA-N -2 3 364.217 0.838 20 0 FCADHL O=C([O-])COCCOCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001574730810 962835508 /nfs/dbraw/zinc/83/55/08/962835508.db2.gz SALBHDIRAGXARW-UHFFFAOYSA-N -2 3 357.306 0.500 20 0 FCADHL O=C([O-])[C@@H]1CC(C(=O)N2CCc3c(=O)[n-]cnc3C2)=NN1c1ccccc1 ZINC000842691053 969231350 /nfs/dbraw/zinc/23/13/50/969231350.db2.gz LJVYBSSZNGSJTC-HNNXBMFYSA-N -2 3 367.365 0.786 20 0 FCADHL Cc1nc(C)c(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c(=O)[n-]1 ZINC001605400676 973385297 /nfs/dbraw/zinc/38/52/97/973385297.db2.gz DYERGXRNEINKIP-QWHCGFSZSA-N -2 3 373.413 0.792 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])ccc1F ZINC001591669664 975429679 /nfs/dbraw/zinc/42/96/79/975429679.db2.gz VYEAZHJWSUOGSD-GHMZBOCLSA-N -2 3 358.391 0.963 20 0 FCADHL C[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001592521931 978377821 /nfs/dbraw/zinc/37/78/21/978377821.db2.gz RLNQHHKLJOODAF-MRVPVSSYSA-N -2 3 362.408 0.690 20 0 FCADHL CC[C@@](O)(CCC(F)(F)F)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001595326512 980539381 /nfs/dbraw/zinc/53/93/81/980539381.db2.gz LAFWIDIKTNDBKE-SNVBAGLBSA-N -2 3 359.326 0.870 20 0 FCADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001595608662 981614100 /nfs/dbraw/zinc/61/41/00/981614100.db2.gz LMNJRASLTUGBTM-RDDDGLTNSA-N -3 3 367.326 0.556 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-] ZINC001596696533 984835249 /nfs/dbraw/zinc/83/52/49/984835249.db2.gz HBONDPFIVMTNGV-JTQLQIEISA-N -2 3 361.420 0.920 20 0 FCADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H]1n1cccn1 ZINC001596842789 985531705 /nfs/dbraw/zinc/53/17/05/985531705.db2.gz MVIZHXHWWMVGHO-IRUJWGPZSA-N -2 3 355.372 0.871 20 0 FCADHL C[C@@H]1CN(C(=O)c2nc[n-]c(=O)c2Br)CCN1CCC(=O)[O-] ZINC001594496723 985649024 /nfs/dbraw/zinc/64/90/24/985649024.db2.gz XPMRJBVCPAFVPO-MRVPVSSYSA-N -2 3 373.207 0.566 20 0 FCADHL C[C@@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001594623356 986674636 /nfs/dbraw/zinc/67/46/36/986674636.db2.gz AGQFKGHHOIFLER-SNVBAGLBSA-N -2 3 350.400 0.837 20 0 FCADHL CSCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)N(C)C ZINC001599801686 988186966 /nfs/dbraw/zinc/18/69/66/988186966.db2.gz VJNIINMSKUXELH-VIFPVBQESA-N -2 3 350.418 0.466 20 0 FCADHL CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC001589929123 988683530 /nfs/dbraw/zinc/68/35/30/988683530.db2.gz SJUPFZWRXDKAQV-UHFFFAOYSA-N -2 3 363.417 0.739 20 0 FCADHL CN(C)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001598108511 990491354 /nfs/dbraw/zinc/49/13/54/990491354.db2.gz AEDBKBJYZWITRT-CYBMUJFWSA-N -2 3 366.395 0.956 20 0 FCADHL CN(C)C(=O)[C@H]1CCCN1CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001598118131 990527203 /nfs/dbraw/zinc/52/72/03/990527203.db2.gz GFECSRFBJRTKBT-GFCCVEGCSA-N -2 3 373.431 0.199 20 0 FCADHL CS(=O)(=O)CCCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001599750011 991978913 /nfs/dbraw/zinc/97/89/13/991978913.db2.gz AKOCNPRMKVNFNT-UHFFFAOYSA-N -2 3 356.447 0.335 20 0 FCADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001599760044 992107658 /nfs/dbraw/zinc/10/76/58/992107658.db2.gz JINDPXVPSYGURT-NEPJUHHUSA-N -2 3 360.363 0.446 20 0 FCADHL CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001599773689 992275984 /nfs/dbraw/zinc/27/59/84/992275984.db2.gz JJNCRABJGMVUKW-UHFFFAOYSA-N -2 3 371.396 0.057 20 0 FCADHL CN1CC2(C1)CCN(C(=O)c1ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc1)C2 ZINC001598572418 993219216 /nfs/dbraw/zinc/21/92/16/993219216.db2.gz JSGZATKJGMKERH-UHFFFAOYSA-N -2 3 370.409 0.570 20 0 FCADHL CN1CCN(CCN(CC(=O)[O-])C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC001598616722 993895560 /nfs/dbraw/zinc/89/55/60/993895560.db2.gz PABVNRBSUWRSAI-UHFFFAOYSA-N -2 3 355.822 0.820 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])ccc1F ZINC001598673515 994799811 /nfs/dbraw/zinc/79/98/11/994799811.db2.gz RJLZDYZQGCBMPM-CMPLNLGQSA-N -2 3 374.390 0.438 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)C2(C(=O)[O-])CC2)ccc1F ZINC001598674149 994812285 /nfs/dbraw/zinc/81/22/85/994812285.db2.gz ITTQBAXUKLFCJE-UHFFFAOYSA-N -2 3 359.331 0.325 20 0 FCADHL COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598696737 995151966 /nfs/dbraw/zinc/15/19/66/995151966.db2.gz KOQQOPSVWDPHRB-VXGBXAGGSA-N -2 3 363.432 0.519 20 0 FCADHL COC(=O)[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001598699131 995193014 /nfs/dbraw/zinc/19/30/14/995193014.db2.gz WUNFCFOEFVLZON-UONOGXRCSA-N -2 3 371.411 0.915 20 0 FCADHL COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC001598699207 995194306 /nfs/dbraw/zinc/19/43/06/995194306.db2.gz USFDDCTVTKXWPX-YFKPBYRVSA-N -2 3 373.355 0.930 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C1CCCCC1 ZINC001598708264 995315387 /nfs/dbraw/zinc/31/53/87/995315387.db2.gz CTGLEXQXGFQJDB-NSHDSACASA-N -2 3 359.404 0.817 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001598709890 995335476 /nfs/dbraw/zinc/33/54/76/995335476.db2.gz REJACAZONRCTCN-RNCFNFMXSA-N -2 3 357.384 0.476 20 0 FCADHL COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001598854032 996624895 /nfs/dbraw/zinc/62/48/95/996624895.db2.gz XLEJCRRYWZGVFT-UHFFFAOYSA-N -2 3 358.372 0.196 20 0 FCADHL COC(=O)Nc1ccc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)cc1[O-] ZINC001598887291 996923879 /nfs/dbraw/zinc/92/38/79/996923879.db2.gz ULTREGJHLZSVAC-LBPRGKRZSA-N -2 3 366.326 0.803 20 0 FCADHL COC(=O)[C@@H](NCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)C ZINC001598893952 997043321 /nfs/dbraw/zinc/04/33/21/997043321.db2.gz MFMPXVPZIFKRGS-LBPRGKRZSA-N -2 3 362.404 0.433 20 0 FCADHL COC1(C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C(=O)[O-])CCC1 ZINC001599089638 997166312 /nfs/dbraw/zinc/16/63/12/997166312.db2.gz ZWNCORFGBAMNLT-SSDOTTSWSA-N -3 3 364.401 0.532 20 0 FCADHL COCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)CC2 ZINC001599302272 997253565 /nfs/dbraw/zinc/25/35/65/997253565.db2.gz AFOVLCNFCQPLQP-SECBINFHSA-N -2 3 370.387 0.317 20 0 FCADHL COCCN(C)Cc1nc(=O)c2c(CC(=O)[O-])c(C(=O)OC)sc2[n-]1 ZINC001599231782 997872642 /nfs/dbraw/zinc/87/26/42/997872642.db2.gz FDUOFVJFTPPMMS-UHFFFAOYSA-N -2 3 369.399 0.477 20 0 FCADHL COC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(=O)[O-] ZINC001599155112 998358269 /nfs/dbraw/zinc/35/82/69/998358269.db2.gz JEOVCYOFSZRLSJ-ZDUSSCGKSA-N -2 3 365.791 0.895 20 0 FCADHL COCC(COC)S(=O)(=O)[N-][C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001599165847 998541162 /nfs/dbraw/zinc/54/11/62/998541162.db2.gz IWSNWAAUQJOGAZ-LBPRGKRZSA-N -2 3 353.343 0.671 20 0 FCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccn(C)n1 ZINC001598982406 998669558 /nfs/dbraw/zinc/66/95/58/998669558.db2.gz JAKXIBOJROFRRM-LBPRGKRZSA-N -2 3 371.346 0.450 20 0 FCADHL COC(=O)c1cnc(C[N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)s1 ZINC001599007047 998864200 /nfs/dbraw/zinc/86/42/00/998864200.db2.gz GKPHGVUSELHTEF-UHFFFAOYSA-N -2 3 362.429 0.994 20 0 FCADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)cc1F)C(=O)[O-] ZINC000296792264 214365162 /nfs/dbraw/zinc/36/51/62/214365162.db2.gz AUTOQKAMWTVYQN-NSHDSACASA-N -2 3 363.363 0.689 20 0 FCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)cc1F ZINC000297166303 214382571 /nfs/dbraw/zinc/38/25/71/214382571.db2.gz KAHDMLATVZVTIB-UHFFFAOYSA-N -2 3 351.377 0.372 20 0 FCADHL COCCn1cc(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cn1 ZINC000283998281 213052221 /nfs/dbraw/zinc/05/22/21/213052221.db2.gz YSXBLWYJFGVWCQ-UHFFFAOYSA-N -2 3 357.388 0.916 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-]CC2(N3CCOCC3)CC2)cc1C(=O)[O-] ZINC000277410525 212358567 /nfs/dbraw/zinc/35/85/67/212358567.db2.gz DOJMSEZHFBYNPA-UHFFFAOYSA-N -2 3 372.418 0.975 20 0 FCADHL CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000277317116 212349853 /nfs/dbraw/zinc/34/98/53/212349853.db2.gz UCCHLEBAXNQSIM-QWRGUYRKSA-N -2 3 374.440 0.245 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)sc1Cl ZINC000276445720 212235314 /nfs/dbraw/zinc/23/53/14/212235314.db2.gz MRLKWNNOCAGNBT-MRVPVSSYSA-N -2 3 366.848 0.921 20 0 FCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000275699366 212075453 /nfs/dbraw/zinc/07/54/53/212075453.db2.gz QLVBOKQXWOMKKI-UHFFFAOYSA-N -2 3 358.269 0.324 20 0 FCADHL COC[C@H](C[N-]S(=O)(=O)c1ccco1)[N-]S(=O)(=O)c1ccco1 ZINC000275406469 212021851 /nfs/dbraw/zinc/02/18/51/212021851.db2.gz ACHDUFPNQLDIKA-JTQLQIEISA-N -2 3 364.401 0.144 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](Cc2cnn(C)c2)C(=O)[O-])c(C)o1 ZINC000275370548 212014353 /nfs/dbraw/zinc/01/43/53/212014353.db2.gz YOPIGZJOZWGREI-JTQLQIEISA-N -2 3 371.371 0.082 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424251363 247188541 /nfs/dbraw/zinc/18/85/41/247188541.db2.gz JLNWWPRSCLMAJE-XRNSZHNASA-N -2 3 373.431 0.670 20 0 FCADHL O=C(NCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1ccc([O-])cc1 ZINC000436680697 248046802 /nfs/dbraw/zinc/04/68/02/248046802.db2.gz PKPWGHMDZLVOIZ-UHFFFAOYSA-N -2 3 369.337 0.301 20 0 FCADHL O=C(NCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc([O-])cc1 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ZINC000475011452 489801420 /nfs/dbraw/zinc/80/14/20/489801420.db2.gz WKQOKCCZLKUCDP-QMMMGPOBSA-N -2 3 356.383 0.057 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000475011452 489801423 /nfs/dbraw/zinc/80/14/23/489801423.db2.gz WKQOKCCZLKUCDP-QMMMGPOBSA-N -2 3 356.383 0.057 20 0 FCADHL CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@@H]1O ZINC000492332355 489825766 /nfs/dbraw/zinc/82/57/66/489825766.db2.gz GUASLFIASQOFSR-NEPJUHHUSA-N -2 3 366.436 0.635 20 0 FCADHL CC1(C)[C@H](O)C[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000492332359 489825862 /nfs/dbraw/zinc/82/58/62/489825862.db2.gz GUASLFIASQOFSR-VXGBXAGGSA-N -2 3 366.436 0.635 20 0 FCADHL COC(=O)Cc1n[n-]c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)n1 ZINC000460538154 489871714 /nfs/dbraw/zinc/87/17/14/489871714.db2.gz HKCSXJISJMTTID-UHFFFAOYSA-N -2 3 360.779 0.983 20 0 FCADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccncc2C(F)(F)F)s1 ZINC000433305565 489876257 /nfs/dbraw/zinc/87/62/57/489876257.db2.gz 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C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(=O)N1CCOCC1 ZINC000392336268 490149937 /nfs/dbraw/zinc/14/99/37/490149937.db2.gz CSKMRRLRBHZMHM-VIFPVBQESA-N -2 3 360.363 0.050 20 0 FCADHL CCc1ncc(S(=O)(=O)[N-]c2nc3nc(CC)cc(=O)n3[n-]2)s1 ZINC000520648571 490176041 /nfs/dbraw/zinc/17/60/41/490176041.db2.gz GNGQTJXCXVEFRL-UHFFFAOYSA-N -2 3 354.417 0.800 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc3nc(C)cc(=O)n3[n-]2)c(C)o1 ZINC000533635752 490271980 /nfs/dbraw/zinc/27/19/80/490271980.db2.gz MACOXZYKBDVLIT-UHFFFAOYSA-N -2 3 367.343 0.215 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000547547066 490313514 /nfs/dbraw/zinc/31/35/14/490313514.db2.gz JXNOPYCHGHBRPB-SNVBAGLBSA-N -2 3 354.344 0.601 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)[O-] ZINC000534064418 490314299 /nfs/dbraw/zinc/31/42/99/490314299.db2.gz JKWGFRKQYGWARP-SNVBAGLBSA-N -2 3 370.408 0.904 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])nc1C ZINC000547878157 490373991 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362.477 0.967 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000422708801 490462214 /nfs/dbraw/zinc/46/22/14/490462214.db2.gz YGTZPNPNVTXCBZ-BQBZGAKWSA-N -2 3 363.296 0.009 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000422708801 490462220 /nfs/dbraw/zinc/46/22/20/490462220.db2.gz YGTZPNPNVTXCBZ-BQBZGAKWSA-N -2 3 363.296 0.009 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000422708801 490462228 /nfs/dbraw/zinc/46/22/28/490462228.db2.gz YGTZPNPNVTXCBZ-BQBZGAKWSA-N -2 3 363.296 0.009 20 0 FCADHL O=C([O-])CSCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000571799463 491330157 /nfs/dbraw/zinc/33/01/57/491330157.db2.gz GLEAGWYWULONPH-UHFFFAOYSA-N -2 3 352.412 0.931 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000673479813 493333715 /nfs/dbraw/zinc/33/37/15/493333715.db2.gz VQXALCJQVZMWFT-UHFFFAOYSA-N -2 3 357.326 0.005 20 0 FCADHL Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3cccc([O-])c3F)cnc21 ZINC000535766807 490525491 /nfs/dbraw/zinc/52/54/91/490525491.db2.gz OLTDKYDAMQMFCC-UHFFFAOYSA-N -2 3 366.330 0.680 20 0 FCADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)c1 ZINC000537197849 490659914 /nfs/dbraw/zinc/65/99/14/490659914.db2.gz HKCIGIQUFFGHOY-UHFFFAOYSA-N -2 3 366.395 0.924 20 0 FCADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC000526060743 490671888 /nfs/dbraw/zinc/67/18/88/490671888.db2.gz WPAAEOQZMBOKSR-SNVBAGLBSA-N -2 3 355.397 0.655 20 0 FCADHL Cn1c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2oc1=O ZINC000512772123 490698344 /nfs/dbraw/zinc/69/83/44/490698344.db2.gz VLFQDOOLCILHJK-UHFFFAOYSA-N -2 3 373.346 0.816 20 0 FCADHL Cc1cc(C(=O)N2CCNC[C@H]2c2ccncc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000565039540 491347539 /nfs/dbraw/zinc/34/75/39/491347539.db2.gz BNZFMMUMXQHDDI-ZDUSSCGKSA-N -2 3 366.381 0.926 20 0 FCADHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(C(=O)NCCO)c2)cc1 ZINC000538747366 490747108 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CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000565505410 491380795 /nfs/dbraw/zinc/38/07/95/491380795.db2.gz OHAHOIHVKNNVNQ-UHFFFAOYSA-N -2 3 366.374 0.891 20 0 FCADHL C[C@@]1(c2cccc(C(=O)NC[C@H](CC3CC3)C(=O)[O-])c2)NC(=O)[N-]C1=O ZINC000573212775 491419804 /nfs/dbraw/zinc/41/98/04/491419804.db2.gz HXYWBUDIAUNCJF-SGTLLEGYSA-N -2 3 359.382 0.972 20 0 FCADHL C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)C[C@@H]1C(=O)[O-] ZINC000566234862 491428334 /nfs/dbraw/zinc/42/83/34/491428334.db2.gz PCKNOQAQZAMKCN-QWRGUYRKSA-N -2 3 358.391 0.673 20 0 FCADHL CO[C@H](C[N-]S(=O)(=O)Cc1ccccc1Br)C(=O)[O-] ZINC000558472899 491432657 /nfs/dbraw/zinc/43/26/57/491432657.db2.gz CAEXNJAOYIALQO-SNVBAGLBSA-N -2 3 352.206 0.968 20 0 FCADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCOC1 ZINC000575371077 491551257 /nfs/dbraw/zinc/55/12/57/491551257.db2.gz CTTGWRNFGHPFGN-GFCCVEGCSA-N -2 3 355.290 0.949 20 0 FCADHL COCCN1CCC[C@@H](NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1 ZINC000673663083 493355547 /nfs/dbraw/zinc/35/55/47/493355547.db2.gz YOLLQAKRNXZDGK-LLVKDONJSA-N -2 3 361.402 0.585 20 0 FCADHL CO[C@@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@H](C(=O)[O-])C1 ZINC000569381161 491657809 /nfs/dbraw/zinc/65/78/09/491657809.db2.gz XCAPYWYOXKOONH-MFKMUULPSA-N -2 3 374.390 0.901 20 0 FCADHL C[C@@H]1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C[C@H]1C(=O)[O-] ZINC000569457009 491662974 /nfs/dbraw/zinc/66/29/74/491662974.db2.gz QERGUTWJNLGQBM-AJAPIDPKSA-N -2 3 359.382 0.924 20 0 FCADHL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1 ZINC000578475599 491678008 /nfs/dbraw/zinc/67/80/08/491678008.db2.gz XGPJRAJILVHXTO-UHFFFAOYSA-N -2 3 367.309 0.689 20 0 FCADHL COC(=O)C1(CS(=O)(=O)[N-]C[C@H](Oc2ccccc2)C(=O)[O-])CCC1 ZINC000579182624 491692600 /nfs/dbraw/zinc/69/26/00/491692600.db2.gz FCQWCDBOMKWJDM-ZDUSSCGKSA-N -2 3 371.411 0.781 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000579670968 491702669 /nfs/dbraw/zinc/70/26/69/491702669.db2.gz BJDKBPDKFDIJFX-QWHCGFSZSA-N -2 3 354.384 0.627 20 0 FCADHL CSc1nnc(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)[n-]1 ZINC000579771044 491705115 /nfs/dbraw/zinc/70/51/15/491705115.db2.gz ZGPOAMKSFUKFGS-UHFFFAOYSA-N -2 3 363.371 0.722 20 0 FCADHL CSc1n[n-]c(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000579771044 491705116 /nfs/dbraw/zinc/70/51/16/491705116.db2.gz ZGPOAMKSFUKFGS-UHFFFAOYSA-N -2 3 363.371 0.722 20 0 FCADHL CSc1nc(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)n[n-]1 ZINC000579771044 491705117 /nfs/dbraw/zinc/70/51/17/491705117.db2.gz ZGPOAMKSFUKFGS-UHFFFAOYSA-N -2 3 363.371 0.722 20 0 FCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(=O)OC)nc2)c[n-]1 ZINC000585730934 491724270 /nfs/dbraw/zinc/72/42/70/491724270.db2.gz QVXWQDLSXIIIQW-UHFFFAOYSA-N -2 3 354.344 0.569 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])c(C)o1 ZINC000580659646 491740539 /nfs/dbraw/zinc/74/05/39/491740539.db2.gz KWDNIBONDPYADP-GXSJLCMTSA-N -2 3 360.388 0.200 20 0 FCADHL CCOC[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000581165358 491762042 /nfs/dbraw/zinc/76/20/42/491762042.db2.gz LNPLGKOQYWXNEG-MRVPVSSYSA-N -2 3 364.763 0.543 20 0 FCADHL CNS(=O)(=O)c1ccc([O-])c([N-]C(=O)c2cc(C(=O)OC)no2)c1 ZINC000589663467 491764669 /nfs/dbraw/zinc/76/46/69/491764669.db2.gz XHVSGVIEPMJNSW-UHFFFAOYSA-N -2 3 355.328 0.327 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C ZINC000581483704 491774591 /nfs/dbraw/zinc/77/45/91/491774591.db2.gz DUMKOCDNPIPBFZ-VXNVDRBHSA-N -2 3 350.418 0.953 20 0 FCADHL CC(C)(CC(=O)[O-])NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000582821373 491828008 /nfs/dbraw/zinc/82/80/08/491828008.db2.gz BDVHSVYYBNEPGE-UHFFFAOYSA-N -2 3 368.408 0.729 20 0 FCADHL CCc1cc(=O)[n-]c(-c2ccc(NCCn3cc(C(=O)[O-])nn3)nc2)n1 ZINC000584294121 491862355 /nfs/dbraw/zinc/86/23/55/491862355.db2.gz DRJBRTKDYCTZNU-UHFFFAOYSA-N -2 3 355.358 1.208 20 0 FCADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)NCC4)ccc21 ZINC000604972730 492078498 /nfs/dbraw/zinc/07/84/98/492078498.db2.gz WJMKYWLXYYLTOD-UHFFFAOYSA-N -2 3 371.374 0.657 20 0 FCADHL Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)[N-]c2nn[n-]n2)cn1 ZINC000605532565 492097961 /nfs/dbraw/zinc/09/79/61/492097961.db2.gz HEYPHEJMPCCNFL-UHFFFAOYSA-N -3 3 354.377 0.048 20 0 FCADHL CCOCCS(=O)(=O)[N-]CC(=O)N=c1nc(CC(C)C)[n-]s1 ZINC000618348639 492225301 /nfs/dbraw/zinc/22/53/01/492225301.db2.gz VRHQZZKDUUZUAZ-UHFFFAOYSA-N -2 3 350.466 0.053 20 0 FCADHL CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000609906942 492227004 /nfs/dbraw/zinc/22/70/04/492227004.db2.gz RAMWPQZLJSQMPW-LLVKDONJSA-N -2 3 365.367 0.964 20 0 FCADHL CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000609906942 492227006 /nfs/dbraw/zinc/22/70/06/492227006.db2.gz RAMWPQZLJSQMPW-LLVKDONJSA-N -2 3 365.367 0.964 20 0 FCADHL COc1ccc2c([O-])nn(S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2c1 ZINC000647918759 492382428 /nfs/dbraw/zinc/38/24/28/492382428.db2.gz XURKZTMXYYQGNP-UHFFFAOYSA-N -2 3 373.346 0.871 20 0 FCADHL Cc1cc(C(=O)NC2CC(N3CCOCC3)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000627933434 492424035 /nfs/dbraw/zinc/42/40/35/492424035.db2.gz UFVGTKZBLJSESJ-UHFFFAOYSA-N -2 3 359.386 0.337 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655570556 492459394 /nfs/dbraw/zinc/45/93/94/492459394.db2.gz FPPFFFLEEXDFDQ-KOLCDFICSA-N -2 3 361.420 0.431 20 0 FCADHL C[C@@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000655877158 492482312 /nfs/dbraw/zinc/48/23/12/492482312.db2.gz XNPQNHKSFKACHV-QMMMGPOBSA-N -2 3 365.358 0.263 20 0 FCADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-] ZINC000629293837 492603535 /nfs/dbraw/zinc/60/35/35/492603535.db2.gz OOJJDWFXCIYAJI-MRVPVSSYSA-N -2 3 356.169 0.620 20 0 FCADHL COCCCS(=O)(=O)[N-]CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630329364 492738687 /nfs/dbraw/zinc/73/86/87/492738687.db2.gz XVNHLKPPSJZTQE-UONOGXRCSA-N -2 3 370.427 0.769 20 0 FCADHL CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000625641738 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FCADHL CC(C)[C@@H]([N-]S(=O)(=O)C1CC1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663140277 493574429 /nfs/dbraw/zinc/57/44/29/493574429.db2.gz XXVOCADSFLVNFH-GFCCVEGCSA-N -2 3 372.447 0.748 20 0 FCADHL CCc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccnn2C)cn1CC1CC1 ZINC000663252148 493580321 /nfs/dbraw/zinc/58/03/21/493580321.db2.gz BALZHJHDBNHKDH-CQSZACIVSA-N -2 3 367.431 0.693 20 0 FCADHL O=C([O-])C1(CNC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CCC1 ZINC000663352649 493585011 /nfs/dbraw/zinc/58/50/11/493585011.db2.gz VTXGTKSLEGDCLO-LBPRGKRZSA-N -2 3 360.370 0.814 20 0 FCADHL O=C([O-])C1(CNC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CCC1 ZINC000663352648 493585153 /nfs/dbraw/zinc/58/51/53/493585153.db2.gz VTXGTKSLEGDCLO-GFCCVEGCSA-N -2 3 360.370 0.814 20 0 FCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)oc1C(=O)[O-] ZINC000663424063 493588234 /nfs/dbraw/zinc/58/82/34/493588234.db2.gz LYBWQTPOOOSUBW-NXEZZACHSA-N -2 3 365.429 0.920 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CC2)c(F)c1 ZINC000677243488 493593273 /nfs/dbraw/zinc/59/32/73/493593273.db2.gz UVOKCVBGXHBCOV-LLVKDONJSA-N -2 3 366.436 0.637 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)co1 ZINC000677402672 493600003 /nfs/dbraw/zinc/60/00/03/493600003.db2.gz BVMXGRQQQVDAHH-GFCCVEGCSA-N -2 3 362.371 0.220 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)co1 ZINC000677402672 493600004 /nfs/dbraw/zinc/60/00/04/493600004.db2.gz BVMXGRQQQVDAHH-GFCCVEGCSA-N -2 3 362.371 0.220 20 0 FCADHL CC(C)(CCNC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O)C(=O)[O-] ZINC000424403222 535033811 /nfs/dbraw/zinc/03/38/11/535033811.db2.gz JAOXVBFMZQMBCV-HWPZZCPQSA-N -2 3 354.407 0.650 20 0 FCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])c(F)c1 ZINC000327310707 546511092 /nfs/dbraw/zinc/51/10/92/546511092.db2.gz VCKWNIYSTASVCV-GFCCVEGCSA-N -2 3 370.362 0.481 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-] ZINC000592447666 546647308 /nfs/dbraw/zinc/64/73/08/546647308.db2.gz GDZQAQGERCDHBG-SSDOTTSWSA-N -2 3 368.458 0.662 20 0 FCADHL COC(=O)c1cccc([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)c1[O-] ZINC000594695086 546816762 /nfs/dbraw/zinc/81/67/62/546816762.db2.gz QFZLBBZOXLFZPA-GWCFXTLKSA-N -2 3 359.400 0.972 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC2=CCCOC2)c(F)c1 ZINC000553572030 547290520 /nfs/dbraw/zinc/29/05/20/547290520.db2.gz SWIINHCMDAWJDK-UHFFFAOYSA-N -2 3 364.420 0.822 20 0 FCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000736167264 598856773 /nfs/dbraw/zinc/85/67/73/598856773.db2.gz CSQRUAQMNJDZBI-VIFPVBQESA-N -2 3 351.388 0.490 20 0 FCADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000737435730 598890684 /nfs/dbraw/zinc/89/06/84/598890684.db2.gz BWVQHFFJBNUSTH-UHFFFAOYSA-N -2 3 374.382 0.454 20 0 FCADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000737435730 598890686 /nfs/dbraw/zinc/89/06/86/598890686.db2.gz BWVQHFFJBNUSTH-UHFFFAOYSA-N -2 3 374.382 0.454 20 0 FCADHL O=C(C[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737819624 598910220 /nfs/dbraw/zinc/91/02/20/598910220.db2.gz IMURVKCHNUGMCA-NSHDSACASA-N -2 3 351.388 0.239 20 0 FCADHL O=C(C[C@@H]1CCOC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737819624 598910222 /nfs/dbraw/zinc/91/02/22/598910222.db2.gz IMURVKCHNUGMCA-NSHDSACASA-N -2 3 351.388 0.239 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1(C)CCOCC1 ZINC000737297924 598974892 /nfs/dbraw/zinc/97/48/92/598974892.db2.gz FYLGDEOEICDMFC-UHFFFAOYSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1(C)CCOCC1 ZINC000737297924 598974893 /nfs/dbraw/zinc/97/48/93/598974893.db2.gz FYLGDEOEICDMFC-UHFFFAOYSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822510892 607259973 /nfs/dbraw/zinc/25/99/73/607259973.db2.gz XYOAORPRJGSHCN-YFKPBYRVSA-N -2 3 371.329 0.876 20 0 FCADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc(-n2cnnn2)c1 ZINC000823583108 599234095 /nfs/dbraw/zinc/23/40/95/599234095.db2.gz HSCCZSNAHPBOCF-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000769511776 597498515 /nfs/dbraw/zinc/49/85/15/597498515.db2.gz OBRQHSMFOWYSPD-SNVBAGLBSA-N -2 3 356.375 0.813 20 0 FCADHL Cn1c2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2oc1=O ZINC000737593388 598330865 /nfs/dbraw/zinc/33/08/65/598330865.db2.gz QQAHPYREVVCYSN-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL Cn1c2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2oc1=O ZINC000737593388 598330867 /nfs/dbraw/zinc/33/08/67/598330867.db2.gz QQAHPYREVVCYSN-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCOCC1 ZINC000738140339 598417157 /nfs/dbraw/zinc/41/71/57/598417157.db2.gz RSNGFQQBIHEEMY-UHFFFAOYSA-N -2 3 371.806 0.752 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCOCC1 ZINC000738140339 598417158 /nfs/dbraw/zinc/41/71/58/598417158.db2.gz RSNGFQQBIHEEMY-UHFFFAOYSA-N -2 3 371.806 0.752 20 0 FCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000736931842 598495665 /nfs/dbraw/zinc/49/56/65/598495665.db2.gz BJPASABRHSBYSF-UHFFFAOYSA-N -2 3 363.359 0.037 20 0 FCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000736931842 598495667 /nfs/dbraw/zinc/49/56/67/598495667.db2.gz BJPASABRHSBYSF-UHFFFAOYSA-N -2 3 363.359 0.037 20 0 FCADHL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737180843 598565650 /nfs/dbraw/zinc/56/56/50/598565650.db2.gz RXUZUUHSGWTNQX-SECBINFHSA-N -2 3 355.445 0.812 20 0 FCADHL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737180843 598565652 /nfs/dbraw/zinc/56/56/52/598565652.db2.gz RXUZUUHSGWTNQX-SECBINFHSA-N -2 3 355.445 0.812 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000736948290 598637535 /nfs/dbraw/zinc/63/75/35/598637535.db2.gz IMTDZDOTPZVULB-UHFFFAOYSA-N -2 3 350.316 0.442 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)o1 ZINC000736948290 598637536 /nfs/dbraw/zinc/63/75/36/598637536.db2.gz IMTDZDOTPZVULB-UHFFFAOYSA-N -2 3 350.316 0.442 20 0 FCADHL O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000738314983 598645208 /nfs/dbraw/zinc/64/52/08/598645208.db2.gz ZGNOTBLPNWJWLU-UHFFFAOYSA-N -2 3 374.357 0.855 20 0 FCADHL O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000738314983 598645209 /nfs/dbraw/zinc/64/52/09/598645209.db2.gz ZGNOTBLPNWJWLU-UHFFFAOYSA-N -2 3 374.357 0.855 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736624699 598740241 /nfs/dbraw/zinc/74/02/41/598740241.db2.gz DPDXTPGWEVUFQS-SNVBAGLBSA-N -2 3 369.403 0.117 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736658857 598751823 /nfs/dbraw/zinc/75/18/23/598751823.db2.gz LHQJFYUKRHBBOS-UHFFFAOYSA-N -2 3 353.404 0.882 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736658857 598751825 /nfs/dbraw/zinc/75/18/25/598751825.db2.gz LHQJFYUKRHBBOS-UHFFFAOYSA-N -2 3 353.404 0.882 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736659432 598752192 /nfs/dbraw/zinc/75/21/92/598752192.db2.gz RVSJUKFMWKFECW-LBPRGKRZSA-N -2 3 353.404 0.736 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736659432 598752194 /nfs/dbraw/zinc/75/21/94/598752194.db2.gz RVSJUKFMWKFECW-LBPRGKRZSA-N -2 3 353.404 0.736 20 0 FCADHL CSCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737180320 599516765 /nfs/dbraw/zinc/51/67/65/599516765.db2.gz FINRQESCTRKXAW-UHFFFAOYSA-N -2 3 355.445 0.956 20 0 FCADHL CSCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737180320 599516766 /nfs/dbraw/zinc/51/67/66/599516766.db2.gz FINRQESCTRKXAW-UHFFFAOYSA-N -2 3 355.445 0.956 20 0 FCADHL Cn1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1C1CC1 ZINC000822704487 599620759 /nfs/dbraw/zinc/62/07/59/599620759.db2.gz LUZLGGUBVCMNQQ-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL Cn1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1C1CC1 ZINC000822704487 599620760 /nfs/dbraw/zinc/62/07/60/599620760.db2.gz LUZLGGUBVCMNQQ-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccncc3)no2)o1 ZINC000740177116 599769337 /nfs/dbraw/zinc/76/93/37/599769337.db2.gz DBOVPHHNESYMEL-UHFFFAOYSA-N -2 3 350.312 0.901 20 0 FCADHL CN(CCc1ccccn1)C(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737447268 599777728 /nfs/dbraw/zinc/77/77/28/599777728.db2.gz SQMLVLXMXOYBQK-UHFFFAOYSA-N -2 3 367.383 0.352 20 0 FCADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]N=c1nccc[nH]1 ZINC000737717647 599814344 /nfs/dbraw/zinc/81/43/44/599814344.db2.gz NEOMKIPJSFRGJQ-UHFFFAOYSA-N -2 3 358.357 0.328 20 0 FCADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826314685 607401511 /nfs/dbraw/zinc/40/15/11/607401511.db2.gz ITNHBSZCDBIVQD-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826314685 607401513 /nfs/dbraw/zinc/40/15/13/607401513.db2.gz ITNHBSZCDBIVQD-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL CC(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC000386885013 599874308 /nfs/dbraw/zinc/87/43/08/599874308.db2.gz DHOWAWLSYIKTDH-UHFFFAOYSA-N -2 3 350.418 0.590 20 0 FCADHL CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC000736998603 599875506 /nfs/dbraw/zinc/87/55/06/599875506.db2.gz NDYIUGGPILSFTG-UHFFFAOYSA-N -2 3 364.445 0.981 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2nnc3n2CCCCC3)c1C(=O)[O-] ZINC000738829916 600339427 /nfs/dbraw/zinc/33/94/27/600339427.db2.gz UDQAYDBNXFPTPR-UHFFFAOYSA-N -2 3 354.392 0.213 20 0 FCADHL CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000736889751 600366936 /nfs/dbraw/zinc/36/69/36/600366936.db2.gz ZAJXDIGDBDXNCX-ISVAXAHUSA-N -2 3 362.338 0.343 20 0 FCADHL COc1ccc(OC)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826211171 607461686 /nfs/dbraw/zinc/46/16/86/607461686.db2.gz RVTWKABRBFILPR-UHFFFAOYSA-N -2 3 351.348 0.408 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N(C)CC(=O)[O-])CCCC1 ZINC000262494720 600881109 /nfs/dbraw/zinc/88/11/09/600881109.db2.gz XFYQWARESBYCAD-UHFFFAOYSA-N -2 3 359.404 0.426 20 0 FCADHL CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)CC2 ZINC000830323184 601222056 /nfs/dbraw/zinc/22/20/56/601222056.db2.gz XALJTORMFHEELY-SECBINFHSA-N -2 3 354.388 0.733 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)CCS(C)(=O)=O)cc1C(=O)[O-] ZINC000833028253 601224282 /nfs/dbraw/zinc/22/42/82/601224282.db2.gz MUPLTJQZPMJULD-UHFFFAOYSA-N -2 3 353.418 0.778 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCCS(=O)(=O)C2)c1F ZINC000389975507 601235621 /nfs/dbraw/zinc/23/56/21/601235621.db2.gz ULNXJPWOFQGOPY-ZETCQYMHSA-N -2 3 369.367 0.519 20 0 FCADHL CC1(OCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820628691 607496513 /nfs/dbraw/zinc/49/65/13/607496513.db2.gz LJYFDMSOSBOKBX-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL CC1(OCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820628691 607496515 /nfs/dbraw/zinc/49/65/15/607496515.db2.gz LJYFDMSOSBOKBX-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL COCCOC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831762600 601238630 /nfs/dbraw/zinc/23/86/30/601238630.db2.gz IQHRPNMKQIISEK-MRVPVSSYSA-N -2 3 353.343 0.993 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821686433 607496979 /nfs/dbraw/zinc/49/69/79/607496979.db2.gz PWFPOPUKHQOUHS-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821686433 607496981 /nfs/dbraw/zinc/49/69/81/607496981.db2.gz PWFPOPUKHQOUHS-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL O=C([O-])c1ccsc1N1CC[C@H]([N-]S(=O)(=O)C[C@H]2CCOC2)C1=O ZINC000833342624 601263135 /nfs/dbraw/zinc/26/31/35/601263135.db2.gz ZZLODWZNBBOMHY-ONGXEEELSA-N -2 3 374.440 0.508 20 0 FCADHL C[C@@H]1CN([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828433765 601635568 /nfs/dbraw/zinc/63/55/68/601635568.db2.gz ZXQIZZQIAOTSOS-DDTOSNHZSA-N -2 3 360.366 0.665 20 0 FCADHL C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000828326144 601809271 /nfs/dbraw/zinc/80/92/71/601809271.db2.gz NBVOSWLYVKLOBU-GXSJLCMTSA-N -2 3 356.400 0.903 20 0 FCADHL C[C@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000828020420 601850103 /nfs/dbraw/zinc/85/01/03/601850103.db2.gz PWCIONDULGOCRV-ACJLOTCBSA-N -2 3 360.366 0.809 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2N2CCOCC2)o1 ZINC000833325391 602001654 /nfs/dbraw/zinc/00/16/54/602001654.db2.gz WHZPYKASWRZRDF-NWDGAFQWSA-N -2 3 358.416 0.900 20 0 FCADHL CCOC(=O)N1CCN(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)CC1 ZINC000829861131 602115306 /nfs/dbraw/zinc/11/53/06/602115306.db2.gz NNIHXHAYSMPSMM-UHFFFAOYSA-N -2 3 363.417 0.877 20 0 FCADHL COC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313704 602142740 /nfs/dbraw/zinc/14/27/40/602142740.db2.gz ADXQKTITQGNJNL-UHFFFAOYSA-N -2 3 356.150 0.582 20 0 FCADHL CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313600 602142744 /nfs/dbraw/zinc/14/27/44/602142744.db2.gz UTGIYJTYIAUGDQ-RXMQYKEDSA-N -2 3 369.193 0.543 20 0 FCADHL COC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329782 602173662 /nfs/dbraw/zinc/17/36/62/602173662.db2.gz RIJCVYDVQNGPNH-SCSAIBSYSA-N -2 3 356.150 0.580 20 0 FCADHL CC[C@@H](SC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825160183 607616143 /nfs/dbraw/zinc/61/61/43/607616143.db2.gz YCMCLCCLRPRFOU-LLVKDONJSA-N -2 3 355.445 0.954 20 0 FCADHL CC[C@@H](SC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825160183 607616144 /nfs/dbraw/zinc/61/61/44/607616144.db2.gz YCMCLCCLRPRFOU-LLVKDONJSA-N -2 3 355.445 0.954 20 0 FCADHL CC[C@H](SC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825159203 607616439 /nfs/dbraw/zinc/61/64/39/607616439.db2.gz LEFFFPZZZNUAKK-NSHDSACASA-N -2 3 355.445 0.954 20 0 FCADHL CC[C@H](SC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825159203 607616440 /nfs/dbraw/zinc/61/64/40/607616440.db2.gz LEFFFPZZZNUAKK-NSHDSACASA-N -2 3 355.445 0.954 20 0 FCADHL 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ZINC000824867151 669421928 /nfs/dbraw/zinc/42/19/28/669421928.db2.gz OIOPWWMEJDUJMH-MWLCHTKSSA-N -2 3 363.399 0.677 20 0 FCADHL COc1ccc(OC)c(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)c1 ZINC000826211030 669487221 /nfs/dbraw/zinc/48/72/21/669487221.db2.gz MTEOKTYPHIVUOQ-UHFFFAOYSA-N -2 3 365.375 0.716 20 0 FCADHL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCCCc1cc(=O)[nH][n-]1 ZINC000808258357 669554215 /nfs/dbraw/zinc/55/42/15/669554215.db2.gz GOLVQIRASRLXHV-UHFFFAOYSA-N -2 3 359.411 0.458 20 0 FCADHL COC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])s1 ZINC000837295238 670097039 /nfs/dbraw/zinc/09/70/39/670097039.db2.gz RLIQXWBCFFJZBD-MRVPVSSYSA-N -2 3 354.381 0.348 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](CC1CC1)C(=O)[O-] ZINC000844824390 670947901 /nfs/dbraw/zinc/94/79/01/670947901.db2.gz FFHDCHTZAGSROB-JTQLQIEISA-N -2 3 359.404 0.674 20 0 FCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000846002735 671065189 /nfs/dbraw/zinc/06/51/89/671065189.db2.gz MRTPTLRLBYJNDT-UHFFFAOYSA-N -2 3 355.185 0.934 20 0 FCADHL CCOC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C(=O)[O-] ZINC000848679870 671289704 /nfs/dbraw/zinc/28/97/04/671289704.db2.gz VZOXGSAPPSHQND-SNVBAGLBSA-N -2 3 363.363 0.689 20 0 FCADHL CC(C)OC(=O)CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852733650 671519939 /nfs/dbraw/zinc/51/99/39/671519939.db2.gz VIAPTXRHILSELF-GXSJLCMTSA-N -2 3 354.325 0.924 20 0 FCADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000854614133 671589728 /nfs/dbraw/zinc/58/97/28/671589728.db2.gz YUAOHDRLYXSNHJ-UHFFFAOYSA-N -2 3 373.778 0.121 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC[C@@H]1C(=O)[O-] ZINC000861717498 671984565 /nfs/dbraw/zinc/98/45/65/671984565.db2.gz FDSXDQRKNBMYIS-BQBZGAKWSA-N -2 3 363.296 0.009 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC000989369994 1192821805 /nfs/dbraw/zinc/82/18/05/1192821805.db2.gz MNKGJNSSFWKBRH-MNOVXSKESA-N -2 3 357.370 0.624 20 0 FCADHL CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)c1cnc[n-]c1=O ZINC000984777344 1190124751 /nfs/dbraw/zinc/12/47/51/1190124751.db2.gz VLLRGVQZHXGHIW-WDEREUQCSA-N -2 3 360.374 0.342 20 0 FCADHL O=C([O-])CN1CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000911219680 1195917618 /nfs/dbraw/zinc/91/76/18/1195917618.db2.gz HXFBUXZYMOCVRC-UHFFFAOYSA-N -2 3 362.361 0.950 20 0 FCADHL O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)c1ccc([O-])c(F)c1 ZINC001186234643 1206494616 /nfs/dbraw/zinc/49/46/16/1206494616.db2.gz XXYBTXPWZHPBHB-LBPRGKRZSA-N -2 3 364.333 0.186 20 0 FCADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[N-]C(=O)c1ccccn1 ZINC000047344149 1211939238 /nfs/dbraw/zinc/93/92/38/1211939238.db2.gz IFERJHSRPUELIB-UHFFFAOYSA-N -2 3 364.365 0.539 20 0 FCADHL Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc[n-]c2=O)C3)c1[O-] ZINC001003592368 1252994690 /nfs/dbraw/zinc/99/46/90/1252994690.db2.gz OXMHDLMVKGNYPN-IEBDPFPHSA-N -2 3 358.358 0.095 20 0 FCADHL O=C(c1cc(=O)[n-]c(C2CC2)n1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084434974 1258111560 /nfs/dbraw/zinc/11/15/60/1258111560.db2.gz CDNDDZXSTNLELW-ZYHUDNBSSA-N -2 3 371.401 0.230 20 0 FCADHL O=C([O-])[C@]12COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC001549225379 1267866347 /nfs/dbraw/zinc/86/63/47/1267866347.db2.gz SSIKVJOUHGSXDM-PTAUBWNISA-N -2 3 374.393 0.556 20 0 FCADHL Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001580596964 1278550642 /nfs/dbraw/zinc/55/06/42/1278550642.db2.gz FPIBMYJIWGHWNG-MRVPVSSYSA-N -2 3 356.346 0.334 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001580634696 1278596159 /nfs/dbraw/zinc/59/61/59/1278596159.db2.gz KFKQHZAIHMXEDH-SNVBAGLBSA-N -2 3 369.389 0.320 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001580634696 1278596168 /nfs/dbraw/zinc/59/61/68/1278596168.db2.gz KFKQHZAIHMXEDH-SNVBAGLBSA-N -2 3 369.389 0.320 20 0 FCADHL C[C@H](C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574544813 1271331715 /nfs/dbraw/zinc/33/17/15/1271331715.db2.gz UUWVKLKAYOHJJT-NXEZZACHSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@H](C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574544813 1271331723 /nfs/dbraw/zinc/33/17/23/1271331723.db2.gz UUWVKLKAYOHJJT-NXEZZACHSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncccc1[O-] ZINC001574635802 1271433819 /nfs/dbraw/zinc/43/38/19/1271433819.db2.gz LAKJSGZLUPAUJP-VIFPVBQESA-N -2 3 370.373 0.234 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574651258 1271449856 /nfs/dbraw/zinc/44/98/56/1271449856.db2.gz VQLJLODYRLHFOH-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574651258 1271449864 /nfs/dbraw/zinc/44/98/64/1271449864.db2.gz VQLJLODYRLHFOH-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574650109 1271450101 /nfs/dbraw/zinc/45/01/01/1271450101.db2.gz DAZRYVNPXDTREB-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL C[C@@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574811519 1271552453 /nfs/dbraw/zinc/55/24/53/1271552453.db2.gz SHDBFNOILIFBLY-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574811519 1271552458 /nfs/dbraw/zinc/55/24/58/1271552458.db2.gz SHDBFNOILIFBLY-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575355416 1271982424 /nfs/dbraw/zinc/98/24/24/1271982424.db2.gz GUTZQZWPHGQSDJ-UWVGGRQHSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575355416 1271982434 /nfs/dbraw/zinc/98/24/34/1271982434.db2.gz GUTZQZWPHGQSDJ-UWVGGRQHSA-N -2 3 354.374 0.981 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccn(C)n1 ZINC001575405230 1272056593 /nfs/dbraw/zinc/05/65/93/1272056593.db2.gz LUKLRQKFBNECHD-ZETCQYMHSA-N -2 3 369.357 0.918 20 0 FCADHL C[C@]1(NC(=O)c2ccccc2[O-])CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575840470 1272511477 /nfs/dbraw/zinc/51/14/77/1272511477.db2.gz WIRRRIOAODUUSV-KRWDZBQOSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CN1C(=O)c1ccccc1[O-] ZINC001576047975 1272775764 /nfs/dbraw/zinc/77/57/64/1272775764.db2.gz SLHCUSQKNQTPRW-GHMZBOCLSA-N -2 3 366.385 0.499 20 0 FCADHL C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1ncccc1[O-] ZINC001576062794 1272809942 /nfs/dbraw/zinc/80/99/42/1272809942.db2.gz SLQTVERHOQFPNS-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1ncccc1[O-] ZINC001576062794 1272809946 /nfs/dbraw/zinc/80/99/46/1272809946.db2.gz SLQTVERHOQFPNS-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ncccc1[O-] ZINC001576075610 1272845839 /nfs/dbraw/zinc/84/58/39/1272845839.db2.gz GXVDNEJBDUQBJX-NXEZZACHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ncccc1[O-] ZINC001576075610 1272845849 /nfs/dbraw/zinc/84/58/49/1272845849.db2.gz GXVDNEJBDUQBJX-NXEZZACHSA-N -2 3 367.373 0.472 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001580722062 1278799988 /nfs/dbraw/zinc/79/99/88/1278799988.db2.gz DDAAGTOUYOOBJJ-JTQLQIEISA-N -2 3 369.389 0.638 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001580722062 1278800005 /nfs/dbraw/zinc/80/00/05/1278800005.db2.gz DDAAGTOUYOOBJJ-JTQLQIEISA-N -2 3 369.389 0.638 20 0 FCADHL CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ncccc1-c1nn[n-]n1 ZINC001577617519 1274595752 /nfs/dbraw/zinc/59/57/52/1274595752.db2.gz AFHCKDUKEIIRKR-UHFFFAOYSA-N -2 3 371.405 0.645 20 0 FCADHL CCCN(CCNC(=O)c1ncccc1[O-])c1cnc(-c2nnn[n-]2)cn1 ZINC001577657786 1274665418 /nfs/dbraw/zinc/66/54/18/1274665418.db2.gz FRIYSBKSHAPHMJ-UHFFFAOYSA-N -2 3 369.389 0.404 20 0 FCADHL CCCN(CCNC(=O)c1ncccc1[O-])c1cnc(-c2nn[n-]n2)cn1 ZINC001577657786 1274665424 /nfs/dbraw/zinc/66/54/24/1274665424.db2.gz FRIYSBKSHAPHMJ-UHFFFAOYSA-N -2 3 369.389 0.404 20 0 FCADHL CCN(c1ccc(-c2nnn[n-]2)nc1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001578186842 1275474427 /nfs/dbraw/zinc/47/44/27/1275474427.db2.gz FPVBGYLNEDBZLC-SECBINFHSA-N -2 3 371.405 0.644 20 0 FCADHL CCN(c1ccc(-c2nn[n-]n2)nc1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001578186842 1275474430 /nfs/dbraw/zinc/47/44/30/1275474430.db2.gz FPVBGYLNEDBZLC-SECBINFHSA-N -2 3 371.405 0.644 20 0 FCADHL CCc1nc(N[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])cc(-c2nnn[n-]2)n1 ZINC001578628459 1276072805 /nfs/dbraw/zinc/07/28/05/1276072805.db2.gz OCBSCAHHHUEECF-SSDOTTSWSA-N -2 3 372.393 0.187 20 0 FCADHL CCc1nc(N[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])cc(-c2nn[n-]n2)n1 ZINC001578628459 1276072811 /nfs/dbraw/zinc/07/28/11/1276072811.db2.gz OCBSCAHHHUEECF-SSDOTTSWSA-N -2 3 372.393 0.187 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001579266054 1277063664 /nfs/dbraw/zinc/06/36/64/1277063664.db2.gz BRMUMBUQPSQYLI-UHFFFAOYSA-N -2 3 351.273 0.293 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001579266054 1277063668 /nfs/dbraw/zinc/06/36/68/1277063668.db2.gz BRMUMBUQPSQYLI-UHFFFAOYSA-N -2 3 351.273 0.293 20 0 FCADHL COC[C@@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1CCCOC1 ZINC001579700801 1277795386 /nfs/dbraw/zinc/79/53/86/1277795386.db2.gz TUORIHGZPJNXEP-GXFFZTMASA-N -2 3 374.405 0.146 20 0 FCADHL Cc1n[nH]c(C(=O)NCC2(Nc3nc(C)ccc3-c3nn[n-]n3)CC2)c1[O-] ZINC001581098807 1279382323 /nfs/dbraw/zinc/38/23/23/1279382323.db2.gz WSQJRZAXZRXPPO-UHFFFAOYSA-N -2 3 369.389 0.682 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001581125805 1279426203 /nfs/dbraw/zinc/42/62/03/1279426203.db2.gz AYBSHGJSXYOHKC-SNVBAGLBSA-N -2 3 354.374 0.901 20 0 FCADHL CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603315632 1287353151 /nfs/dbraw/zinc/35/31/51/1287353151.db2.gz IGKWYAHBSLQTTK-MRVPVSSYSA-N -2 3 357.367 0.878 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)c1[O-] ZINC001581391817 1279824582 /nfs/dbraw/zinc/82/45/82/1279824582.db2.gz XNYHPLMAQSSKJA-YUMQZZPRSA-N -2 3 372.393 0.403 20 0 FCADHL CCO[N-]C(=O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001609241805 1289015642 /nfs/dbraw/zinc/01/56/42/1289015642.db2.gz WYQSIBFARYPAEF-UHFFFAOYSA-N -2 3 363.334 0.441 20 0 FCADHL CCO[N-]C(=O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001609241805 1289015647 /nfs/dbraw/zinc/01/56/47/1289015647.db2.gz WYQSIBFARYPAEF-UHFFFAOYSA-N -2 3 363.334 0.441 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001582110426 1281062814 /nfs/dbraw/zinc/06/28/14/1281062814.db2.gz HPQNAGWOWFLWKF-UHFFFAOYSA-N -2 3 371.332 0.153 20 0 FCADHL O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001582110426 1281062819 /nfs/dbraw/zinc/06/28/19/1281062819.db2.gz HPQNAGWOWFLWKF-UHFFFAOYSA-N -2 3 371.332 0.153 20 0 FCADHL O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ncccc1[O-] ZINC001582320004 1281337120 /nfs/dbraw/zinc/33/71/20/1281337120.db2.gz SBGDVLJRCAKKHE-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C(=O)[O-])CO1 ZINC001603785982 1287495873 /nfs/dbraw/zinc/49/58/73/1287495873.db2.gz ULFAHTRUGVHGLB-SSDOTTSWSA-N -2 3 373.416 0.181 20 0 FCADHL C[C@@]1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCC(=O)N1 ZINC001603805227 1287503439 /nfs/dbraw/zinc/50/34/39/1287503439.db2.gz RVPKOFMHUZPSNH-ZDUSSCGKSA-N -2 3 372.357 0.092 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001603830182 1287510028 /nfs/dbraw/zinc/51/00/28/1287510028.db2.gz HAMKMETUWJIOPL-KCJUWKMLSA-N -2 3 369.378 0.631 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001603830182 1287510032 /nfs/dbraw/zinc/51/00/32/1287510032.db2.gz HAMKMETUWJIOPL-KCJUWKMLSA-N -2 3 369.378 0.631 20 0 FCADHL O=C(NC[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582541936 1281734636 /nfs/dbraw/zinc/73/46/36/1281734636.db2.gz HBLWQCKRCUNTML-XYPYZODXSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(NC[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582541936 1281734641 /nfs/dbraw/zinc/73/46/41/1281734641.db2.gz HBLWQCKRCUNTML-XYPYZODXSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)c1ncccc1[O-] ZINC001582627562 1281830022 /nfs/dbraw/zinc/83/00/22/1281830022.db2.gz RITOSFUHKUHXKK-PJXYFTJBSA-N -2 3 364.369 0.227 20 0 FCADHL O=C(N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)c1ncccc1[O-] ZINC001582627562 1281830023 /nfs/dbraw/zinc/83/00/23/1281830023.db2.gz RITOSFUHKUHXKK-PJXYFTJBSA-N -2 3 364.369 0.227 20 0 FCADHL O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001582648074 1281838782 /nfs/dbraw/zinc/83/87/82/1281838782.db2.gz NFBYWCNGENPBIT-MRVPVSSYSA-N -2 3 356.350 0.497 20 0 FCADHL C[C@@H]1CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1C(=O)[O-] ZINC001603920604 1287534646 /nfs/dbraw/zinc/53/46/46/1287534646.db2.gz KCDWLXXFMUTYEA-BXUZGUMPSA-N -2 3 374.401 0.998 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001582751702 1281976519 /nfs/dbraw/zinc/97/65/19/1281976519.db2.gz SDVCGYZMBVVHOB-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001582751702 1281976522 /nfs/dbraw/zinc/97/65/22/1281976522.db2.gz SDVCGYZMBVVHOB-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)c1 ZINC001588915842 1282727182 /nfs/dbraw/zinc/72/71/82/1282727182.db2.gz SFRBOSJUEAYFOV-SECBINFHSA-N -2 3 371.357 0.713 20 0 FCADHL CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001588915842 1282727192 /nfs/dbraw/zinc/72/71/92/1282727192.db2.gz SFRBOSJUEAYFOV-SECBINFHSA-N -2 3 371.357 0.713 20 0 FCADHL CC(C)(C)O[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589198051 1282816049 /nfs/dbraw/zinc/81/60/49/1282816049.db2.gz MKLTTZIBHQQYBW-VXGBXAGGSA-N -2 3 365.415 0.875 20 0 FCADHL CC(C)(C)O[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589198051 1282816061 /nfs/dbraw/zinc/81/60/61/1282816061.db2.gz MKLTTZIBHQQYBW-VXGBXAGGSA-N -2 3 365.415 0.875 20 0 FCADHL CC(C)(CCNC(=O)C(=O)Nc1sccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589276637 1282826530 /nfs/dbraw/zinc/82/65/30/1282826530.db2.gz XSAQWIMRHXLAAS-UHFFFAOYSA-N -2 3 352.376 0.484 20 0 FCADHL CC(C)(CCNC(=O)C(=O)Nc1sccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589276637 1282826540 /nfs/dbraw/zinc/82/65/40/1282826540.db2.gz XSAQWIMRHXLAAS-UHFFFAOYSA-N -2 3 352.376 0.484 20 0 FCADHL CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001589720251 1282961127 /nfs/dbraw/zinc/96/11/27/1282961127.db2.gz JAWXWVMXSCGKGD-ZETCQYMHSA-N -2 3 374.373 0.336 20 0 FCADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001589753249 1282979961 /nfs/dbraw/zinc/97/99/61/1282979961.db2.gz PJANHAUXSYKLRP-OAHLLOKOSA-N -2 3 364.362 0.611 20 0 FCADHL C[C@H](CNC(=O)N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1)C(=O)[O-] ZINC001589857620 1283094237 /nfs/dbraw/zinc/09/42/37/1283094237.db2.gz DYPUTPHZUQRVAB-KOLCDFICSA-N -2 3 361.362 0.145 20 0 FCADHL C[C@H](CNC(=O)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1)C(=O)[O-] ZINC001589857620 1283094241 /nfs/dbraw/zinc/09/42/41/1283094241.db2.gz DYPUTPHZUQRVAB-KOLCDFICSA-N -2 3 361.362 0.145 20 0 FCADHL C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]S(=O)(=O)CC(F)F ZINC001589898195 1283113523 /nfs/dbraw/zinc/11/35/23/1283113523.db2.gz WXFQNWRPKGYMCX-MRVPVSSYSA-N -2 3 359.358 0.756 20 0 FCADHL C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC(F)F ZINC001589898195 1283113527 /nfs/dbraw/zinc/11/35/27/1283113527.db2.gz WXFQNWRPKGYMCX-MRVPVSSYSA-N -2 3 359.358 0.756 20 0 FCADHL C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC001589898151 1283114077 /nfs/dbraw/zinc/11/40/77/1283114077.db2.gz VWXAUGOLWWVJAR-GWCFXTLKSA-N -2 3 365.415 0.280 20 0 FCADHL C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC001589898151 1283114082 /nfs/dbraw/zinc/11/40/82/1283114082.db2.gz VWXAUGOLWWVJAR-GWCFXTLKSA-N -2 3 365.415 0.280 20 0 FCADHL C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001589983399 1283155320 /nfs/dbraw/zinc/15/53/20/1283155320.db2.gz QGZVCLYDZKTQCD-RKDXNWHRSA-N -2 3 355.362 0.833 20 0 FCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC001590024130 1283181193 /nfs/dbraw/zinc/18/11/93/1283181193.db2.gz FDGRYZOYNZQJKH-JTQLQIEISA-N -2 3 366.403 0.091 20 0 FCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC(F)F ZINC001590024558 1283181241 /nfs/dbraw/zinc/18/12/41/1283181241.db2.gz LMPZAGQVWXZGAF-SSDOTTSWSA-N -2 3 361.330 0.345 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001590027705 1283182409 /nfs/dbraw/zinc/18/24/09/1283182409.db2.gz LHOFVYCQOSBJBG-RNCFNFMXSA-N -2 3 371.357 0.310 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001590027705 1283182416 /nfs/dbraw/zinc/18/24/16/1283182416.db2.gz LHOFVYCQOSBJBG-RNCFNFMXSA-N -2 3 371.357 0.310 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCCN1CCCC1=O ZINC001590032259 1283184313 /nfs/dbraw/zinc/18/43/13/1283184313.db2.gz VONRBWDQAFRPGT-NSHDSACASA-N -2 3 360.374 0.304 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCCN1CCCC1=O ZINC001590032259 1283184316 /nfs/dbraw/zinc/18/43/16/1283184316.db2.gz VONRBWDQAFRPGT-NSHDSACASA-N -2 3 360.374 0.304 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001590071083 1283201272 /nfs/dbraw/zinc/20/12/72/1283201272.db2.gz GNCQCOLOSRQAQR-CQSZACIVSA-N -2 3 351.388 0.742 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001590071083 1283201280 /nfs/dbraw/zinc/20/12/80/1283201280.db2.gz GNCQCOLOSRQAQR-CQSZACIVSA-N -2 3 351.388 0.742 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@H](C(=O)[O-])CO1 ZINC001590106824 1283217925 /nfs/dbraw/zinc/21/79/25/1283217925.db2.gz VAJIAPLZVVTVGL-JTQLQIEISA-N -2 3 367.387 0.119 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@H](C(=O)[O-])CO1 ZINC001590106824 1283217931 /nfs/dbraw/zinc/21/79/31/1283217931.db2.gz VAJIAPLZVVTVGL-JTQLQIEISA-N -2 3 367.387 0.119 20 0 FCADHL C[C@@]1(CS(=O)(=O)[N-]c2c[nH]nc2-c2nn[n-]n2)CC1(Cl)Cl ZINC001590140100 1283238501 /nfs/dbraw/zinc/23/85/01/1283238501.db2.gz PGGKCVJYBGYHBK-QMMMGPOBSA-N -2 3 352.207 0.915 20 0 FCADHL C[C@@]1(CS(=O)(=O)[N-]c2c[nH]nc2-c2nnn[n-]2)CC1(Cl)Cl ZINC001590140100 1283238505 /nfs/dbraw/zinc/23/85/05/1283238505.db2.gz PGGKCVJYBGYHBK-QMMMGPOBSA-N -2 3 352.207 0.915 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)O1 ZINC001590183694 1283288602 /nfs/dbraw/zinc/28/86/02/1283288602.db2.gz PUPUBEOFGFEYQN-NRUUGDAUSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)O1 ZINC001590183694 1283288611 /nfs/dbraw/zinc/28/86/11/1283288611.db2.gz PUPUBEOFGFEYQN-NRUUGDAUSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)O1 ZINC001590189891 1283293921 /nfs/dbraw/zinc/29/39/21/1283293921.db2.gz DFNFWMSIZNOTGO-KBVBSXBZSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)O1 ZINC001590189891 1283293931 /nfs/dbraw/zinc/29/39/31/1283293931.db2.gz DFNFWMSIZNOTGO-KBVBSXBZSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC001590195053 1283299994 /nfs/dbraw/zinc/29/99/94/1283299994.db2.gz VCDPHMCSHONOFK-CWSCBRNRSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC001590195053 1283300007 /nfs/dbraw/zinc/30/00/07/1283300007.db2.gz VCDPHMCSHONOFK-CWSCBRNRSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590247025 1283377500 /nfs/dbraw/zinc/37/75/00/1283377500.db2.gz IBVPENVFAJJMIJ-ZJUUUORDSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590247025 1283377507 /nfs/dbraw/zinc/37/75/07/1283377507.db2.gz IBVPENVFAJJMIJ-ZJUUUORDSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001590260190 1283384992 /nfs/dbraw/zinc/38/49/92/1283384992.db2.gz DSAUAYDPCYAOMM-PRHODGIISA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001590260190 1283384999 /nfs/dbraw/zinc/38/49/99/1283384999.db2.gz DSAUAYDPCYAOMM-PRHODGIISA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001590309181 1283452761 /nfs/dbraw/zinc/45/27/61/1283452761.db2.gz KRYKJROONXOJRH-VDDIYKPWSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001590309181 1283452768 /nfs/dbraw/zinc/45/27/68/1283452768.db2.gz KRYKJROONXOJRH-VDDIYKPWSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590324702 1283467594 /nfs/dbraw/zinc/46/75/94/1283467594.db2.gz PWHDBDCSFANJTH-ZWNOBZJWSA-N -2 3 365.415 0.485 20 0 FCADHL C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590324702 1283467598 /nfs/dbraw/zinc/46/75/98/1283467598.db2.gz PWHDBDCSFANJTH-ZWNOBZJWSA-N -2 3 365.415 0.485 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590333459 1283478137 /nfs/dbraw/zinc/47/81/37/1283478137.db2.gz DZMGQVQROYWNQI-QISWUMQESA-N -2 3 365.415 0.731 20 0 FCADHL C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590333459 1283478144 /nfs/dbraw/zinc/47/81/44/1283478144.db2.gz DZMGQVQROYWNQI-QISWUMQESA-N -2 3 365.415 0.731 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590415641 1283531730 /nfs/dbraw/zinc/53/17/30/1283531730.db2.gz YHNKAWPCJCLYPZ-VIFPVBQESA-N -2 3 369.403 0.495 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590415641 1283531741 /nfs/dbraw/zinc/53/17/41/1283531741.db2.gz YHNKAWPCJCLYPZ-VIFPVBQESA-N -2 3 369.403 0.495 20 0 FCADHL CC[C@@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001590445900 1283541997 /nfs/dbraw/zinc/54/19/97/1283541997.db2.gz BVVQYNAQVQHJLU-LURJTMIESA-N -3 3 361.330 0.534 20 0 FCADHL CC[C@]1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001590497589 1283566715 /nfs/dbraw/zinc/56/67/15/1283566715.db2.gz UAUOFAOVVCUNIN-ZDUSSCGKSA-N -2 3 359.358 0.992 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590499573 1283568737 /nfs/dbraw/zinc/56/87/37/1283568737.db2.gz MAUMZFOYUAQRAY-QWRGUYRKSA-N -2 3 352.376 0.136 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590499573 1283568741 /nfs/dbraw/zinc/56/87/41/1283568741.db2.gz MAUMZFOYUAQRAY-QWRGUYRKSA-N -2 3 352.376 0.136 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590501155 1283569317 /nfs/dbraw/zinc/56/93/17/1283569317.db2.gz WQANHURLBDRXGY-STQMWFEESA-N -2 3 365.415 0.882 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590501155 1283569328 /nfs/dbraw/zinc/56/93/28/1283569328.db2.gz WQANHURLBDRXGY-STQMWFEESA-N -2 3 365.415 0.882 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590676988 1283721213 /nfs/dbraw/zinc/72/12/13/1283721213.db2.gz PTQRHZKAQQMJDS-MRVPVSSYSA-N -2 3 357.367 0.880 20 0 FCADHL CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590811326 1283888830 /nfs/dbraw/zinc/88/88/30/1283888830.db2.gz XCMBVZXREBMIBC-UHFFFAOYSA-N -2 3 369.403 0.497 20 0 FCADHL CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590811326 1283888859 /nfs/dbraw/zinc/88/88/59/1283888859.db2.gz XCMBVZXREBMIBC-UHFFFAOYSA-N -2 3 369.403 0.497 20 0 FCADHL CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001590835024 1283911364 /nfs/dbraw/zinc/91/13/64/1283911364.db2.gz IZBMEEBAQQGGHT-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001590835024 1283911372 /nfs/dbraw/zinc/91/13/72/1283911372.db2.gz IZBMEEBAQQGGHT-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001590846926 1283922013 /nfs/dbraw/zinc/92/20/13/1283922013.db2.gz WGJPHGBXRBHWNE-JTQLQIEISA-N -2 3 368.394 0.298 20 0 FCADHL CCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2OC)[nH]1 ZINC001590903088 1283954044 /nfs/dbraw/zinc/95/40/44/1283954044.db2.gz IHXSBXHPFUTSHC-UHFFFAOYSA-N -2 3 350.364 0.357 20 0 FCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590964801 1284020266 /nfs/dbraw/zinc/02/02/66/1284020266.db2.gz MUHOHPMBTSUVLG-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590964801 1284020273 /nfs/dbraw/zinc/02/02/73/1284020273.db2.gz MUHOHPMBTSUVLG-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL CN([C@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590999821 1284054498 /nfs/dbraw/zinc/05/44/98/1284054498.db2.gz QXXODMJVIDDDKB-LLVKDONJSA-N -2 3 368.419 0.772 20 0 FCADHL CN([C@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590999821 1284054510 /nfs/dbraw/zinc/05/45/10/1284054510.db2.gz QXXODMJVIDDDKB-LLVKDONJSA-N -2 3 368.419 0.772 20 0 FCADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001591215544 1284350135 /nfs/dbraw/zinc/35/01/35/1284350135.db2.gz XMOAMTUXSVEBBC-UHFFFAOYSA-N -2 3 359.371 0.422 20 0 FCADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001591215544 1284350146 /nfs/dbraw/zinc/35/01/46/1284350146.db2.gz XMOAMTUXSVEBBC-UHFFFAOYSA-N -2 3 359.371 0.422 20 0 FCADHL COC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001591315846 1284464694 /nfs/dbraw/zinc/46/46/94/1284464694.db2.gz HKPPMYBQIFASGS-UHFFFAOYSA-N -2 3 357.367 0.377 20 0 FCADHL COC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001591315846 1284464701 /nfs/dbraw/zinc/46/47/01/1284464701.db2.gz HKPPMYBQIFASGS-UHFFFAOYSA-N -2 3 357.367 0.377 20 0 FCADHL CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591326684 1284471240 /nfs/dbraw/zinc/47/12/40/1284471240.db2.gz GZWMIQKVROACMJ-GFCCVEGCSA-N -2 3 353.404 0.733 20 0 FCADHL CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591326684 1284471241 /nfs/dbraw/zinc/47/12/41/1284471241.db2.gz GZWMIQKVROACMJ-GFCCVEGCSA-N -2 3 353.404 0.733 20 0 FCADHL CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591326685 1284471879 /nfs/dbraw/zinc/47/18/79/1284471879.db2.gz GZWMIQKVROACMJ-LBPRGKRZSA-N -2 3 353.404 0.733 20 0 FCADHL CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591326685 1284471882 /nfs/dbraw/zinc/47/18/82/1284471882.db2.gz GZWMIQKVROACMJ-LBPRGKRZSA-N -2 3 353.404 0.733 20 0 FCADHL CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001591347342 1284485267 /nfs/dbraw/zinc/48/52/67/1284485267.db2.gz FBCBARDONSHRQX-QWHCGFSZSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001591347342 1284485270 /nfs/dbraw/zinc/48/52/70/1284485270.db2.gz FBCBARDONSHRQX-QWHCGFSZSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001591352911 1284489007 /nfs/dbraw/zinc/48/90/07/1284489007.db2.gz CUSIGIHKDLGPFQ-ONGXEEELSA-N -2 3 366.403 0.272 20 0 FCADHL CO[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001591352911 1284489009 /nfs/dbraw/zinc/48/90/09/1284489009.db2.gz CUSIGIHKDLGPFQ-ONGXEEELSA-N -2 3 366.403 0.272 20 0 FCADHL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001604670278 1287719346 /nfs/dbraw/zinc/71/93/46/1287719346.db2.gz ANAZUYZXUODSDW-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001604670278 1287719354 /nfs/dbraw/zinc/71/93/54/1287719354.db2.gz ANAZUYZXUODSDW-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL COc1cc(C(=O)[N-]c2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)on1 ZINC001591518300 1284710038 /nfs/dbraw/zinc/71/00/38/1284710038.db2.gz WWZHULIAYPPSPP-UHFFFAOYSA-N -2 3 367.329 0.755 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1C(=O)[O-] ZINC001591733825 1284861366 /nfs/dbraw/zinc/86/13/66/1284861366.db2.gz PJKYLZSLYGYZGN-PELKAZGASA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001591735928 1284866060 /nfs/dbraw/zinc/86/60/60/1284866060.db2.gz ZTCGNGYJDYDHRC-RDDDGLTNSA-N -2 3 355.351 0.632 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001591735928 1284866065 /nfs/dbraw/zinc/86/60/65/1284866065.db2.gz ZTCGNGYJDYDHRC-RDDDGLTNSA-N -2 3 355.351 0.632 20 0 FCADHL Cc1c(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)nn1C ZINC001591798404 1284914100 /nfs/dbraw/zinc/91/41/00/1284914100.db2.gz DAIJXWDRVWOODK-UHFFFAOYSA-N -2 3 361.387 0.644 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC001591824260 1284929549 /nfs/dbraw/zinc/92/95/49/1284929549.db2.gz PAJWQLPHOBUFED-KOLCDFICSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC001591824260 1284929556 /nfs/dbraw/zinc/92/95/56/1284929556.db2.gz PAJWQLPHOBUFED-KOLCDFICSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001591869949 1284956739 /nfs/dbraw/zinc/95/67/39/1284956739.db2.gz DKDYSCNNQFAJRX-NSHDSACASA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001591869949 1284956749 /nfs/dbraw/zinc/95/67/49/1284956749.db2.gz DKDYSCNNQFAJRX-NSHDSACASA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001591870753 1284958521 /nfs/dbraw/zinc/95/85/21/1284958521.db2.gz PZEVFPMVRFNDSF-SECBINFHSA-N -2 3 373.341 0.658 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001591870753 1284958526 /nfs/dbraw/zinc/95/85/26/1284958526.db2.gz PZEVFPMVRFNDSF-SECBINFHSA-N -2 3 373.341 0.658 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c1 ZINC001591883675 1284973627 /nfs/dbraw/zinc/97/36/27/1284973627.db2.gz AINUIBBQORFMND-RYUDHWBXSA-N -2 3 368.401 0.998 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592066725 1285107588 /nfs/dbraw/zinc/10/75/88/1285107588.db2.gz ZLJKRHZZEWBRPK-SECBINFHSA-N -2 3 361.330 0.562 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592066725 1285107599 /nfs/dbraw/zinc/10/75/99/1285107599.db2.gz ZLJKRHZZEWBRPK-SECBINFHSA-N -2 3 361.330 0.562 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001592108576 1285141077 /nfs/dbraw/zinc/14/10/77/1285141077.db2.gz WZOBHCUDXFDKDB-UHFFFAOYSA-N -2 3 361.387 0.955 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C[C@@H]1CCOC1 ZINC001592109200 1285143273 /nfs/dbraw/zinc/14/32/73/1285143273.db2.gz FUHDEZMYVTUANM-JOAKQRRISA-N -2 3 363.399 0.573 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C[C@@H]1CCOC1 ZINC001592109200 1285143280 /nfs/dbraw/zinc/14/32/80/1285143280.db2.gz FUHDEZMYVTUANM-JOAKQRRISA-N -2 3 363.399 0.573 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-] ZINC001592109094 1285143374 /nfs/dbraw/zinc/14/33/74/1285143374.db2.gz RTPWVBOQNHVTRF-GFCCVEGCSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC001592109366 1285143577 /nfs/dbraw/zinc/14/35/77/1285143577.db2.gz HTVBBDDIWQBKSH-IAQYHMDHSA-N -2 3 363.399 0.407 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC001592109366 1285143584 /nfs/dbraw/zinc/14/35/84/1285143584.db2.gz HTVBBDDIWQBKSH-IAQYHMDHSA-N -2 3 363.399 0.407 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1 ZINC001592109518 1285143907 /nfs/dbraw/zinc/14/39/07/1285143907.db2.gz PHYIRSQWJUXQEY-LLVKDONJSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1 ZINC001592109518 1285143911 /nfs/dbraw/zinc/14/39/11/1285143911.db2.gz PHYIRSQWJUXQEY-LLVKDONJSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592136478 1285156308 /nfs/dbraw/zinc/15/63/08/1285156308.db2.gz JPUDMWJQJREIKF-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592136478 1285156313 /nfs/dbraw/zinc/15/63/13/1285156313.db2.gz JPUDMWJQJREIKF-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001592139890 1285158245 /nfs/dbraw/zinc/15/82/45/1285158245.db2.gz XVOFXKAXSXKDLF-UHFFFAOYSA-N -2 3 372.410 0.926 20 0 FCADHL Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001592139890 1285158250 /nfs/dbraw/zinc/15/82/50/1285158250.db2.gz XVOFXKAXSXKDLF-UHFFFAOYSA-N -2 3 372.410 0.926 20 0 FCADHL Cc1cccc(S(=O)(=O)N(CCC(=O)[O-])C2CC2)c1-c1nnn[n-]1 ZINC001592238895 1285194276 /nfs/dbraw/zinc/19/42/76/1285194276.db2.gz RFVACZMLMCRKMD-UHFFFAOYSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cccc(S(=O)(=O)N(CCC(=O)[O-])C2CC2)c1-c1nn[n-]n1 ZINC001592238895 1285194280 /nfs/dbraw/zinc/19/42/80/1285194280.db2.gz RFVACZMLMCRKMD-UHFFFAOYSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1-c1nnn[n-]1 ZINC001592239427 1285196498 /nfs/dbraw/zinc/19/64/98/1285196498.db2.gz NPNQSEKGFGYGLD-NXEZZACHSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1-c1nn[n-]n1 ZINC001592239427 1285196503 /nfs/dbraw/zinc/19/65/03/1285196503.db2.gz NPNQSEKGFGYGLD-NXEZZACHSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)[nH]c2C)sc1C ZINC001592397691 1285309046 /nfs/dbraw/zinc/30/90/46/1285309046.db2.gz ZLTVOPMECQDVMP-UHFFFAOYSA-N -2 3 367.416 0.695 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)[nH]c2C)sc1C ZINC001592397691 1285309055 /nfs/dbraw/zinc/30/90/55/1285309055.db2.gz ZLTVOPMECQDVMP-UHFFFAOYSA-N -2 3 367.416 0.695 20 0 FCADHL Cc1ncc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)cc1-c1nnn[n-]1 ZINC001592412350 1285329070 /nfs/dbraw/zinc/32/90/70/1285329070.db2.gz DPHSERUODIHFSX-UHFFFAOYSA-N -2 3 366.403 0.636 20 0 FCADHL Cc1ncc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)cc1-c1nn[n-]n1 ZINC001592412350 1285329078 /nfs/dbraw/zinc/32/90/78/1285329078.db2.gz DPHSERUODIHFSX-UHFFFAOYSA-N -2 3 366.403 0.636 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1-c1nnn[n-]1 ZINC001592414216 1285335005 /nfs/dbraw/zinc/33/50/05/1285335005.db2.gz AIFLHAGZGDXULZ-UHFFFAOYSA-N -2 3 360.403 0.904 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1-c1nn[n-]n1 ZINC001592414216 1285335011 /nfs/dbraw/zinc/33/50/11/1285335011.db2.gz AIFLHAGZGDXULZ-UHFFFAOYSA-N -2 3 360.403 0.904 20 0 FCADHL Cn1c(C(=O)[N-]S(=O)(=O)CCC(F)(F)F)ccc1-c1nnn[n-]1 ZINC001592550290 1285461152 /nfs/dbraw/zinc/46/11/52/1285461152.db2.gz ZEMKZLITNSRQJW-UHFFFAOYSA-N -2 3 352.298 0.217 20 0 FCADHL Cn1c(C(=O)[N-]S(=O)(=O)CCC(F)(F)F)ccc1-c1nn[n-]n1 ZINC001592550290 1285461155 /nfs/dbraw/zinc/46/11/55/1285461155.db2.gz ZEMKZLITNSRQJW-UHFFFAOYSA-N -2 3 352.298 0.217 20 0 FCADHL NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592716548 1285606260 /nfs/dbraw/zinc/60/62/60/1285606260.db2.gz LVZSAKCSGSYQSR-RYUDHWBXSA-N -2 3 369.389 0.096 20 0 FCADHL CCc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)[nH]n1 ZINC001609250805 1289020900 /nfs/dbraw/zinc/02/09/00/1289020900.db2.gz BMKSHHURALKAOH-UHFFFAOYSA-N -2 3 361.387 0.412 20 0 FCADHL CCc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)[nH]n1 ZINC001609250805 1289020909 /nfs/dbraw/zinc/02/09/09/1289020909.db2.gz BMKSHHURALKAOH-UHFFFAOYSA-N -2 3 361.387 0.412 20 0 FCADHL NS(=O)(=O)c1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[O-] ZINC001592749956 1285671726 /nfs/dbraw/zinc/67/17/26/1285671726.db2.gz TUXBJNOHTPYOOR-UHFFFAOYSA-N -2 3 360.355 0.472 20 0 FCADHL O=C([O-])C1(CNC(=O)C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CCC1 ZINC001593017486 1285899343 /nfs/dbraw/zinc/89/93/43/1285899343.db2.gz ZJWWNACMKYHGEL-UHFFFAOYSA-N -2 3 370.369 0.080 20 0 FCADHL O=C([O-])C1(CNC(=O)C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CCC1 ZINC001593017486 1285899352 /nfs/dbraw/zinc/89/93/52/1285899352.db2.gz ZJWWNACMKYHGEL-UHFFFAOYSA-N -2 3 370.369 0.080 20 0 FCADHL O=C([O-])C1(CNC(=O)C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)CCC1 ZINC001593016850 1285899717 /nfs/dbraw/zinc/89/97/17/1285899717.db2.gz DUGBMESPVLURNM-UHFFFAOYSA-N -2 3 370.369 0.080 20 0 FCADHL O=C([O-])C1(CNC(=O)C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)CCC1 ZINC001593016850 1285899720 /nfs/dbraw/zinc/89/97/20/1285899720.db2.gz DUGBMESPVLURNM-UHFFFAOYSA-N -2 3 370.369 0.080 20 0 FCADHL O=C([N-]C[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001593034149 1285917407 /nfs/dbraw/zinc/91/74/07/1285917407.db2.gz KZCNOGHSGFDASA-MRVPVSSYSA-N -2 3 356.312 0.552 20 0 FCADHL O=C([N-]C[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001593034149 1285917415 /nfs/dbraw/zinc/91/74/15/1285917415.db2.gz KZCNOGHSGFDASA-MRVPVSSYSA-N -2 3 356.312 0.552 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@H]1COc2ccc(O)cc2O1 ZINC001593170065 1286026049 /nfs/dbraw/zinc/02/60/49/1286026049.db2.gz CCHJTEVIVIIFSZ-CQSZACIVSA-N -2 3 355.310 0.822 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1COc2ccc(O)cc2O1 ZINC001593170065 1286026051 /nfs/dbraw/zinc/02/60/51/1286026051.db2.gz CCHJTEVIVIIFSZ-CQSZACIVSA-N -2 3 355.310 0.822 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C1SCCCS1 ZINC001593172739 1286026771 /nfs/dbraw/zinc/02/67/71/1286026771.db2.gz MVSSMBTZKAMJBH-UHFFFAOYSA-N -2 3 372.457 0.263 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C1SCCCS1 ZINC001593172739 1286026774 /nfs/dbraw/zinc/02/67/74/1286026774.db2.gz MVSSMBTZKAMJBH-UHFFFAOYSA-N -2 3 372.457 0.263 20 0 FCADHL O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001593274558 1286057988 /nfs/dbraw/zinc/05/79/88/1286057988.db2.gz NRJTUGPAILQTEH-LBPRGKRZSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001593274558 1286057994 /nfs/dbraw/zinc/05/79/94/1286057994.db2.gz NRJTUGPAILQTEH-LBPRGKRZSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001593274589 1286058672 /nfs/dbraw/zinc/05/86/72/1286058672.db2.gz OQUGONFTUQCBSO-FXAINCCUSA-N -2 3 364.387 0.136 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001593274589 1286058675 /nfs/dbraw/zinc/05/86/75/1286058675.db2.gz OQUGONFTUQCBSO-FXAINCCUSA-N -2 3 364.387 0.136 20 0 FCADHL O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)C2 ZINC001593274552 1286058780 /nfs/dbraw/zinc/05/87/80/1286058780.db2.gz NPIUQDMBSMRYSK-FUXBKTLASA-N -2 3 371.325 0.240 20 0 FCADHL O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)C2 ZINC001593274552 1286058781 /nfs/dbraw/zinc/05/87/81/1286058781.db2.gz NPIUQDMBSMRYSK-FUXBKTLASA-N -2 3 371.325 0.240 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001593278221 1286060239 /nfs/dbraw/zinc/06/02/39/1286060239.db2.gz VQIHUYJSZTXCQF-LBPRGKRZSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001593278221 1286060245 /nfs/dbraw/zinc/06/02/45/1286060245.db2.gz VQIHUYJSZTXCQF-LBPRGKRZSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593277042 1286060564 /nfs/dbraw/zinc/06/05/64/1286060564.db2.gz XRKIMQAXMVBFCZ-MWLCHTKSSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593277042 1286060567 /nfs/dbraw/zinc/06/05/67/1286060567.db2.gz XRKIMQAXMVBFCZ-MWLCHTKSSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])[C@@H]1CSCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593278785 1286062116 /nfs/dbraw/zinc/06/21/16/1286062116.db2.gz AYCGAQYYSHNNQS-VIFPVBQESA-N -2 3 359.364 0.154 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593278461 1286062169 /nfs/dbraw/zinc/06/21/69/1286062169.db2.gz GYGOKZCBSBACNC-UHFFFAOYSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001593278461 1286062170 /nfs/dbraw/zinc/06/21/70/1286062170.db2.gz GYGOKZCBSBACNC-UHFFFAOYSA-N -2 3 357.779 0.758 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001593279280 1286062192 /nfs/dbraw/zinc/06/21/92/1286062192.db2.gz BYADSGUYXXELDV-SFYZADRCSA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001593279280 1286062193 /nfs/dbraw/zinc/06/21/93/1286062193.db2.gz BYADSGUYXXELDV-SFYZADRCSA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001593279083 1286062212 /nfs/dbraw/zinc/06/22/12/1286062212.db2.gz PPDIMZFIMLKWER-GFCCVEGCSA-N -2 3 369.378 0.775 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593279083 1286062213 /nfs/dbraw/zinc/06/22/13/1286062213.db2.gz PPDIMZFIMLKWER-GFCCVEGCSA-N -2 3 369.378 0.775 20 0 FCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593279773 1286063413 /nfs/dbraw/zinc/06/34/13/1286063413.db2.gz YBXOLPYQMJDUBZ-CYBMUJFWSA-N -2 3 373.394 0.841 20 0 FCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593279773 1286063414 /nfs/dbraw/zinc/06/34/14/1286063414.db2.gz YBXOLPYQMJDUBZ-CYBMUJFWSA-N -2 3 373.394 0.841 20 0 FCADHL O=C([N-][C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O)C(F)(F)F ZINC001593377827 1286096871 /nfs/dbraw/zinc/09/68/71/1286096871.db2.gz FGIPMQGOKZOBOM-JTQLQIEISA-N -2 3 354.292 0.646 20 0 FCADHL O=C1NCCc2ccc(S(=O)(=O)[N-]c3cc(-c4nnn[n-]4)ccn3)cc21 ZINC001593409881 1286134397 /nfs/dbraw/zinc/13/43/97/1286134397.db2.gz RDLJQQSFTZWIGY-UHFFFAOYSA-N -2 3 371.382 0.348 20 0 FCADHL O=C1NCCc2ccc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccn3)cc21 ZINC001593409881 1286134406 /nfs/dbraw/zinc/13/44/06/1286134406.db2.gz RDLJQQSFTZWIGY-UHFFFAOYSA-N -2 3 371.382 0.348 20 0 FCADHL O=S(=O)(CC1(F)CC1)[N-]c1c(-c2nn[n-]n2)cnn1C1CCOCC1 ZINC001593417837 1286140219 /nfs/dbraw/zinc/14/02/19/1286140219.db2.gz XENMJHUKNKXQHO-UHFFFAOYSA-N -2 3 371.398 0.659 20 0 FCADHL CNC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609288206 1289054563 /nfs/dbraw/zinc/05/45/63/1289054563.db2.gz CGCQHSJUDBMDBT-UHFFFAOYSA-N -2 3 372.410 0.956 20 0 FCADHL CNC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609288206 1289054570 /nfs/dbraw/zinc/05/45/70/1289054570.db2.gz CGCQHSJUDBMDBT-UHFFFAOYSA-N -2 3 372.410 0.956 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)C2)n1 ZINC001600063929 1286434939 /nfs/dbraw/zinc/43/49/39/1286434939.db2.gz BKBFPLOBQCMKJE-IHXVIFPJSA-N -2 3 350.375 0.064 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CCC(=O)NCCC(=O)[O-])sc1Cl ZINC001600299547 1286472708 /nfs/dbraw/zinc/47/27/08/1286472708.db2.gz ZGEFXSHTGVDBBA-UHFFFAOYSA-N -2 3 354.837 0.969 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC2OCCO2)C(=O)[O-])c(F)c1F ZINC001600478858 1286493698 /nfs/dbraw/zinc/49/36/98/1286493698.db2.gz GBRVMJGHWYSPNF-QMMMGPOBSA-N -2 3 351.327 0.768 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2CCN(c3nccs3)CC2)c1C(=O)[O-] ZINC001600672687 1286524061 /nfs/dbraw/zinc/52/40/61/1286524061.db2.gz HBGHZCOHTBVILY-UHFFFAOYSA-N -2 3 371.444 0.820 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c1C(=O)[O-] ZINC001600673895 1286524911 /nfs/dbraw/zinc/52/49/11/1286524911.db2.gz WRKYAFPGWLMYLG-SSDOTTSWSA-N -3 3 359.385 0.972 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@]2(CO)CCc3ccccc32)c1C(=O)[O-] ZINC001600673862 1286525481 /nfs/dbraw/zinc/52/54/81/1286525481.db2.gz WHKFKQCERGRUOB-INIZCTEOSA-N -2 3 365.411 0.571 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001600810065 1286550057 /nfs/dbraw/zinc/55/00/57/1286550057.db2.gz TUONPPNDZADKSC-AWEZNQCLSA-N -2 3 359.404 0.283 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])cc1C(=O)[O-] ZINC001600855689 1286558048 /nfs/dbraw/zinc/55/80/48/1286558048.db2.gz VKWOOLZGKCSFHB-NSHDSACASA-N -3 3 354.340 0.655 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])c(Br)n1 ZINC001600967658 1286583955 /nfs/dbraw/zinc/58/39/55/1286583955.db2.gz DEYFYZPPJCJPFB-ZETCQYMHSA-N -2 3 352.210 0.714 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCSC2)c(Br)n1 ZINC001600968300 1286584399 /nfs/dbraw/zinc/58/43/99/1286584399.db2.gz VJHLJXNASAOJHR-VIFPVBQESA-N -2 3 370.250 0.421 20 0 FCADHL Cn1ccnc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001600983744 1286588823 /nfs/dbraw/zinc/58/88/23/1286588823.db2.gz AOAYUOWMARSQGO-KOLCDFICSA-N -2 3 355.372 0.910 20 0 FCADHL Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001601031848 1286609507 /nfs/dbraw/zinc/60/95/07/1286609507.db2.gz NRJCPPFKMLVIRF-VIFPVBQESA-N -2 3 361.326 0.408 20 0 FCADHL Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001601031847 1286610171 /nfs/dbraw/zinc/61/01/71/1286610171.db2.gz NRJCPPFKMLVIRF-SECBINFHSA-N -2 3 361.326 0.408 20 0 FCADHL O=C([O-])C[C@H](CNC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)C1CC1 ZINC001601892116 1286863317 /nfs/dbraw/zinc/86/33/17/1286863317.db2.gz OJORBAYZJMJFGT-SSDOTTSWSA-N -2 3 363.296 0.057 20 0 FCADHL O=C([O-])C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001601913043 1286869257 /nfs/dbraw/zinc/86/92/57/1286869257.db2.gz SOIDEFYBJBXEDT-ZETCQYMHSA-N -2 3 356.169 0.702 20 0 FCADHL O=C([O-])CC1(CS(=O)(=O)[N-][C@H]2CN(c3ccc(F)cc3)C2=O)CC1 ZINC001601921469 1286870556 /nfs/dbraw/zinc/87/05/56/1286870556.db2.gz FJBVJBPUPBMSCI-LBPRGKRZSA-N -2 3 356.375 0.715 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001609338641 1289108942 /nfs/dbraw/zinc/10/89/42/1289108942.db2.gz LKZZKFIUHLORBU-WDEREUQCSA-N -2 3 363.399 0.726 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001609338641 1289108946 /nfs/dbraw/zinc/10/89/46/1289108946.db2.gz LKZZKFIUHLORBU-WDEREUQCSA-N -2 3 363.399 0.726 20 0 FCADHL O=C([O-])CSCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001602099972 1286936430 /nfs/dbraw/zinc/93/64/30/1286936430.db2.gz SFOWYZQFGIXQBX-UHFFFAOYSA-N -3 3 355.340 0.759 20 0 FCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)nn1C ZINC001609346789 1289112812 /nfs/dbraw/zinc/11/28/12/1289112812.db2.gz OSMAMPLSJGQAHL-UHFFFAOYSA-N -2 3 353.339 0.549 20 0 FCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)nn1C ZINC001609346789 1289112819 /nfs/dbraw/zinc/11/28/19/1289112819.db2.gz OSMAMPLSJGQAHL-UHFFFAOYSA-N -2 3 353.339 0.549 20 0 FCADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)[n-]1 ZINC001602117146 1286939220 /nfs/dbraw/zinc/93/92/20/1286939220.db2.gz IAKRDIHVPAAHHG-INIZCTEOSA-N -2 3 370.409 0.617 20 0 FCADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC001602149659 1286948336 /nfs/dbraw/zinc/94/83/36/1286948336.db2.gz WYAWUIHTWXJPBK-UHFFFAOYSA-N -3 3 360.369 0.582 20 0 FCADHL O=C([O-])Cc1csc(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001602151876 1286950276 /nfs/dbraw/zinc/95/02/76/1286950276.db2.gz HTHSNMUJETZCQB-QMMMGPOBSA-N -2 3 364.387 0.666 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c1F ZINC001602266639 1286977537 /nfs/dbraw/zinc/97/75/37/1286977537.db2.gz KUEJZGXGGZNHBW-GFCCVEGCSA-N -3 3 367.738 0.699 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001609351947 1289116355 /nfs/dbraw/zinc/11/63/55/1289116355.db2.gz VHIGJAIXJYMBLT-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001609351947 1289116359 /nfs/dbraw/zinc/11/63/59/1289116359.db2.gz VHIGJAIXJYMBLT-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CN3CCC[C@H]3CO2)oc1Cl ZINC001602296105 1286987100 /nfs/dbraw/zinc/98/71/00/1286987100.db2.gz LYMRBZNPZFRUEE-IUCAKERBSA-N -2 3 364.807 0.773 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC001602506643 1287017638 /nfs/dbraw/zinc/01/76/38/1287017638.db2.gz ISTRRKLEZOWFHV-WRWORJQWSA-N -2 3 371.337 0.870 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(N2CCCCC2)nc1 ZINC001602506741 1287018653 /nfs/dbraw/zinc/01/86/53/1287018653.db2.gz OPSXKMDFCIHWKN-UHFFFAOYSA-N -2 3 365.415 0.972 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H](c1ccncc1)C1(CO)CCC1 ZINC001602508109 1287020865 /nfs/dbraw/zinc/02/08/65/1287020865.db2.gz ZNPWVADFTPIGCW-GFCCVEGCSA-N -2 3 366.399 0.685 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC(=O)N2CCc3ccccc32)c1 ZINC001602555858 1287024003 /nfs/dbraw/zinc/02/40/03/1287024003.db2.gz AKPDQLQHNJKUAR-UHFFFAOYSA-N -2 3 350.352 0.845 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2nnc(C3CCOCC3)[nH]2)c1 ZINC001602559453 1287025491 /nfs/dbraw/zinc/02/54/91/1287025491.db2.gz UECYWESHURKLHQ-UHFFFAOYSA-N -2 3 356.360 0.468 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCN2C(=O)Cc3ccccc32)c1 ZINC001602558572 1287025895 /nfs/dbraw/zinc/02/58/95/1287025895.db2.gz AQXCVCIHEIFXGL-UHFFFAOYSA-N -2 3 350.352 0.845 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCc1nnc2ccccn21 ZINC001602582768 1287031129 /nfs/dbraw/zinc/03/11/29/1287031129.db2.gz KHYFADJJFULSRS-UHFFFAOYSA-N -2 3 353.385 0.405 20 0 FCADHL O=C([O-])C1(CS(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC001602632082 1287040985 /nfs/dbraw/zinc/04/09/85/1287040985.db2.gz SDMNPWWBGWZJBY-CYBMUJFWSA-N -2 3 352.412 0.966 20 0 FCADHL O=C([O-])C(F)=C(Nc1cccnc1Cl)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602655985 1287051361 /nfs/dbraw/zinc/05/13/61/1287051361.db2.gz JLPPODGCGVHLEJ-ZCFIWIBFSA-N -3 3 358.738 0.355 20 0 FCADHL CC(=O)CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001602914616 1287156762 /nfs/dbraw/zinc/15/67/62/1287156762.db2.gz VDIXRBOKBONTCX-UHFFFAOYSA-N -2 3 355.351 0.321 20 0 FCADHL CC(=O)CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001602914616 1287156768 /nfs/dbraw/zinc/15/67/68/1287156768.db2.gz VDIXRBOKBONTCX-UHFFFAOYSA-N -2 3 355.351 0.321 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001609389172 1289133339 /nfs/dbraw/zinc/13/33/39/1289133339.db2.gz QYXSWGPOGUHNGH-SKDRFNHKSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001609389172 1289133344 /nfs/dbraw/zinc/13/33/44/1289133344.db2.gz QYXSWGPOGUHNGH-SKDRFNHKSA-N -2 3 365.415 0.906 20 0 FCADHL COC(=O)c1coc(S(=O)(=O)[N-]c2ncccc2-c2nnn[n-]2)c1 ZINC001604990177 1287827742 /nfs/dbraw/zinc/82/77/42/1287827742.db2.gz MUYHKTNICIQHRW-UHFFFAOYSA-N -2 3 350.316 0.442 20 0 FCADHL COC(=O)c1coc(S(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)c1 ZINC001604990177 1287827748 /nfs/dbraw/zinc/82/77/48/1287827748.db2.gz MUYHKTNICIQHRW-UHFFFAOYSA-N -2 3 350.316 0.442 20 0 FCADHL CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001605007924 1287836241 /nfs/dbraw/zinc/83/62/41/1287836241.db2.gz QHBIURPRBLAPPV-LBPRGKRZSA-N -2 3 353.404 0.733 20 0 FCADHL CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001605007924 1287836242 /nfs/dbraw/zinc/83/62/42/1287836242.db2.gz QHBIURPRBLAPPV-LBPRGKRZSA-N -2 3 353.404 0.733 20 0 FCADHL CO[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCSC1 ZINC001605014547 1287836884 /nfs/dbraw/zinc/83/68/84/1287836884.db2.gz UYFJYELGKXGRKO-ZDUSSCGKSA-N -2 3 369.428 0.194 20 0 FCADHL CO[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCSC1 ZINC001605014547 1287836889 /nfs/dbraw/zinc/83/68/89/1287836889.db2.gz UYFJYELGKXGRKO-ZDUSSCGKSA-N -2 3 369.428 0.194 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C)c(-c2nn[n-]n2)cn1)[C@@H]1CCOC1 ZINC001605013533 1287837086 /nfs/dbraw/zinc/83/70/86/1287837086.db2.gz ZQYRVYDBQOOJKH-ZYHUDNBSSA-N -2 3 368.419 0.363 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC001605196486 1287909200 /nfs/dbraw/zinc/90/92/00/1287909200.db2.gz FJEZZKDUAFLQIY-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001605196486 1287909205 /nfs/dbraw/zinc/90/92/05/1287909205.db2.gz FJEZZKDUAFLQIY-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL Cc1[nH]nc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1-c1nnn[n-]1 ZINC001609413269 1289141761 /nfs/dbraw/zinc/14/17/61/1289141761.db2.gz PTTYBJIBMMSXJX-UHFFFAOYSA-N -2 3 363.359 0.736 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]c2nc3n(c2-c2nnn[n-]2)CCS3)cn1 ZINC001609427808 1289146554 /nfs/dbraw/zinc/14/65/54/1289146554.db2.gz JPQPEJUXUUKTDQ-UHFFFAOYSA-N -2 3 364.416 0.673 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]c2nc3n(c2-c2nn[n-]n2)CCS3)cn1 ZINC001609427808 1289146556 /nfs/dbraw/zinc/14/65/56/1289146556.db2.gz JPQPEJUXUUKTDQ-UHFFFAOYSA-N -2 3 364.416 0.673 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)ncc1-c1nnn[n-]1 ZINC001605622618 1288040019 /nfs/dbraw/zinc/04/00/19/1288040019.db2.gz ZNISHAYLOSVRDU-SECBINFHSA-N -2 3 366.403 0.197 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)ncc1-c1nn[n-]n1 ZINC001605622618 1288040021 /nfs/dbraw/zinc/04/00/21/1288040021.db2.gz ZNISHAYLOSVRDU-SECBINFHSA-N -2 3 366.403 0.197 20 0 FCADHL CCc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[n-]c2=O)cc1 ZINC001605816221 1288092743 /nfs/dbraw/zinc/09/27/43/1288092743.db2.gz MUPYAILTGOEFOV-JTQLQIEISA-N -3 3 351.359 0.869 20 0 FCADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001605863218 1288099738 /nfs/dbraw/zinc/09/97/38/1288099738.db2.gz ZAODADFRVGVEEV-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001605863218 1288099741 /nfs/dbraw/zinc/09/97/41/1288099741.db2.gz ZAODADFRVGVEEV-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001609456243 1289161149 /nfs/dbraw/zinc/16/11/49/1289161149.db2.gz HPJBUHLMKRZZDZ-FZMZJTMJSA-N -2 3 366.403 0.492 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001609456243 1289161153 /nfs/dbraw/zinc/16/11/53/1289161153.db2.gz HPJBUHLMKRZZDZ-FZMZJTMJSA-N -2 3 366.403 0.492 20 0 FCADHL Cc1nscc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001606163725 1288195772 /nfs/dbraw/zinc/19/57/72/1288195772.db2.gz OEDMKOJRZLASNA-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1nscc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001606163725 1288195775 /nfs/dbraw/zinc/19/57/75/1288195775.db2.gz OEDMKOJRZLASNA-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606167035 1288195834 /nfs/dbraw/zinc/19/58/34/1288195834.db2.gz MNDBODNMJXAOHA-UHFFFAOYSA-N -2 3 352.368 0.915 20 0 FCADHL CNC(=O)CC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCCCC1 ZINC001606268390 1288245641 /nfs/dbraw/zinc/24/56/41/1288245641.db2.gz WQSXHMAWXVQIOH-UHFFFAOYSA-N -2 3 358.420 0.473 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)c(C)o1 ZINC001606303773 1288259756 /nfs/dbraw/zinc/25/97/56/1288259756.db2.gz XABUFQYRZIYARB-GFCCVEGCSA-N -2 3 353.356 0.447 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccoc2C(=O)[O-])ccc1F ZINC001606303684 1288259776 /nfs/dbraw/zinc/25/97/76/1288259776.db2.gz RTZFEARDJZGBBP-UHFFFAOYSA-N -2 3 356.331 0.955 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(CC(=O)[O-])c2C)ccc1F ZINC001606303620 1288260091 /nfs/dbraw/zinc/26/00/91/1288260091.db2.gz NTGKPZBOYSYHAY-UHFFFAOYSA-N -2 3 370.362 0.576 20 0 FCADHL O=C(C[C@@H]1CCCOC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001606504031 1288348518 /nfs/dbraw/zinc/34/85/18/1288348518.db2.gz OIYHNWWZMZKFTN-NSHDSACASA-N -2 3 365.415 0.629 20 0 FCADHL O=C(C[C@@H]1CCCOC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001606504031 1288348527 /nfs/dbraw/zinc/34/85/27/1288348527.db2.gz OIYHNWWZMZKFTN-NSHDSACASA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CCc1ccsc1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001606535713 1288368915 /nfs/dbraw/zinc/36/89/15/1288368915.db2.gz BAVNKLDYAYIEBK-UHFFFAOYSA-N -2 3 364.412 0.761 20 0 FCADHL O=C(CCc1ccsc1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001606535713 1288368922 /nfs/dbraw/zinc/36/89/22/1288368922.db2.gz BAVNKLDYAYIEBK-UHFFFAOYSA-N -2 3 364.412 0.761 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001609483135 1289177650 /nfs/dbraw/zinc/17/76/50/1289177650.db2.gz LORYUEOGKHABQP-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001609483135 1289177659 /nfs/dbraw/zinc/17/76/59/1289177659.db2.gz LORYUEOGKHABQP-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c(OC)c1 ZINC001606606729 1288404598 /nfs/dbraw/zinc/40/45/98/1288404598.db2.gz DQSKXZPPUMTGIP-UHFFFAOYSA-N -2 3 353.299 0.480 20 0 FCADHL COC(=O)c1sc2[n-]c(CN3C[C@@H](O)C[C@@H]3C(=O)[O-])nc(=O)c2c1C ZINC001606643937 1288422215 /nfs/dbraw/zinc/42/22/15/1288422215.db2.gz RLUCUFWBDDZPMQ-JGVFFNPUSA-N -2 3 367.383 0.099 20 0 FCADHL COC[C@@H](O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001606819464 1288532051 /nfs/dbraw/zinc/53/20/51/1288532051.db2.gz TWJRAXUDZTXCFC-ZETCQYMHSA-N -2 3 355.771 0.853 20 0 FCADHL COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001606901126 1288555744 /nfs/dbraw/zinc/55/57/44/1288555744.db2.gz RQEXSVDTIWBDBE-GHMZBOCLSA-N -2 3 363.388 0.385 20 0 FCADHL O=C([O-])Cc1cccc(S(=O)(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001606957269 1288574573 /nfs/dbraw/zinc/57/45/73/1288574573.db2.gz ADTUVRNTDYZFHS-UHFFFAOYSA-N -2 3 373.394 0.972 20 0 FCADHL O=C([O-])Cc1cccc(S(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001606957269 1288574574 /nfs/dbraw/zinc/57/45/74/1288574574.db2.gz ADTUVRNTDYZFHS-UHFFFAOYSA-N -2 3 373.394 0.972 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCC1 ZINC001606959299 1288575506 /nfs/dbraw/zinc/57/55/06/1288575506.db2.gz KGFFYALIRDIHIZ-UHFFFAOYSA-N -2 3 357.779 0.806 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCC1 ZINC001606959299 1288575507 /nfs/dbraw/zinc/57/55/07/1288575507.db2.gz KGFFYALIRDIHIZ-UHFFFAOYSA-N -2 3 357.779 0.806 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001606959558 1288575673 /nfs/dbraw/zinc/57/56/73/1288575673.db2.gz KMPUCBYTYITBEL-ZDUSSCGKSA-N -2 3 359.367 0.971 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001606959558 1288575676 /nfs/dbraw/zinc/57/56/76/1288575676.db2.gz KMPUCBYTYITBEL-ZDUSSCGKSA-N -2 3 359.367 0.971 20 0 FCADHL O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606961131 1288576537 /nfs/dbraw/zinc/57/65/37/1288576537.db2.gz XAUQPHVFFQIDJS-SFYZADRCSA-N -2 3 373.416 0.086 20 0 FCADHL O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606961133 1288576774 /nfs/dbraw/zinc/57/67/74/1288576774.db2.gz XAUQPHVFFQIDJS-YUMQZZPRSA-N -2 3 373.416 0.086 20 0 FCADHL CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001606999879 1288585070 /nfs/dbraw/zinc/58/50/70/1288585070.db2.gz JLNDKMVWUHYWTC-IYSWYEEDSA-N -2 3 370.177 0.432 20 0 FCADHL O=S(=O)([N-]CCC1(CO)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001607064430 1288637062 /nfs/dbraw/zinc/63/70/62/1288637062.db2.gz WRFBEUBGFDSJHG-UHFFFAOYSA-N -2 3 373.385 0.976 20 0 FCADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccn1)c1cnn(CC(F)(F)F)c1 ZINC001607068799 1288641572 /nfs/dbraw/zinc/64/15/72/1288641572.db2.gz YMVZHOAYUXVILQ-UHFFFAOYSA-N -2 3 374.308 0.821 20 0 FCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccn1)c1cnn(CC(F)(F)F)c1 ZINC001607068799 1288641574 /nfs/dbraw/zinc/64/15/74/1288641574.db2.gz YMVZHOAYUXVILQ-UHFFFAOYSA-N -2 3 374.308 0.821 20 0 FCADHL O=c1cc(CN2CCC(O)(C(F)F)CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607111096 1288667698 /nfs/dbraw/zinc/66/76/98/1288667698.db2.gz NJCVTNAWXIWDFL-UHFFFAOYSA-N -2 3 366.332 0.207 20 0 FCADHL COc1ccc(C(=O)COC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c2occ([O-])c21 ZINC001607202986 1288684063 /nfs/dbraw/zinc/68/40/63/1288684063.db2.gz SXGOKWQIWIBWPL-QWHCGFSZSA-N -2 3 364.306 0.628 20 0 FCADHL Cc1nc(C)c(CC(=O)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)[n-]1 ZINC001607947467 1288751135 /nfs/dbraw/zinc/75/11/35/1288751135.db2.gz NMLKZMUIMGCMFS-LBPRGKRZSA-N -2 3 353.375 0.500 20 0 FCADHL C[C@@H](CCCCO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609109446 1288924327 /nfs/dbraw/zinc/92/43/27/1288924327.db2.gz AYKYWSPMHSIHEH-QMMMGPOBSA-N -2 3 361.374 0.974 20 0 FCADHL C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609117564 1288930868 /nfs/dbraw/zinc/93/08/68/1288930868.db2.gz SNIZVJGKXXTTHP-BTDLBPIBSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609117564 1288930870 /nfs/dbraw/zinc/93/08/70/1288930870.db2.gz SNIZVJGKXXTTHP-BTDLBPIBSA-N -2 3 372.385 0.367 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC001609167236 1288960781 /nfs/dbraw/zinc/96/07/81/1288960781.db2.gz RROQGJOVVSEAAK-BXKDBHETSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] ZINC001609167236 1288960785 /nfs/dbraw/zinc/96/07/85/1288960785.db2.gz RROQGJOVVSEAAK-BXKDBHETSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC001609166376 1288961650 /nfs/dbraw/zinc/96/16/50/1288961650.db2.gz ACFQQZRTUONXPE-ZWNOBZJWSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] ZINC001609166376 1288961651 /nfs/dbraw/zinc/96/16/51/1288961651.db2.gz ACFQQZRTUONXPE-ZWNOBZJWSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@@H](C(=O)[O-])C1 ZINC001609168561 1288962299 /nfs/dbraw/zinc/96/22/99/1288962299.db2.gz GCCSFWFFKTXFKP-LDYMZIIASA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609179168 1288973722 /nfs/dbraw/zinc/97/37/22/1288973722.db2.gz MQEYOQKXRRLNGF-GZMMTYOYSA-N -2 3 369.428 0.545 20 0 FCADHL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609179168 1288973723 /nfs/dbraw/zinc/97/37/23/1288973723.db2.gz MQEYOQKXRRLNGF-GZMMTYOYSA-N -2 3 369.428 0.545 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609199117 1288983047 /nfs/dbraw/zinc/98/30/47/1288983047.db2.gz PJARGEMGAIQSFK-RYUDHWBXSA-N -2 3 351.388 0.741 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609199117 1288983048 /nfs/dbraw/zinc/98/30/48/1288983048.db2.gz PJARGEMGAIQSFK-RYUDHWBXSA-N -2 3 351.388 0.741 20 0 FCADHL O=C([N-]OCCC(F)(F)F)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001609559738 1289222797 /nfs/dbraw/zinc/22/27/97/1289222797.db2.gz BLAXMABWSBXQGO-UHFFFAOYSA-N -2 3 362.243 0.945 20 0 FCADHL O=C([N-]OCCC(F)(F)F)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001609559738 1289222801 /nfs/dbraw/zinc/22/28/01/1289222801.db2.gz BLAXMABWSBXQGO-UHFFFAOYSA-N -2 3 362.243 0.945 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1(CF)CCC1 ZINC001609559920 1289224952 /nfs/dbraw/zinc/22/49/52/1289224952.db2.gz LRVZUMZFZNMDCJ-UHFFFAOYSA-N -2 3 353.379 0.953 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1(CF)CCC1 ZINC001609559920 1289224959 /nfs/dbraw/zinc/22/49/59/1289224959.db2.gz LRVZUMZFZNMDCJ-UHFFFAOYSA-N -2 3 353.379 0.953 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)c1cnn2cccnc12 ZINC001609560235 1289225819 /nfs/dbraw/zinc/22/58/19/1289225819.db2.gz CAOYWACTXFSWIW-UHFFFAOYSA-N -2 3 370.354 0.028 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)c1cnn2cccnc12 ZINC001609560235 1289225825 /nfs/dbraw/zinc/22/58/25/1289225825.db2.gz CAOYWACTXFSWIW-UHFFFAOYSA-N -2 3 370.354 0.028 20 0 FCADHL O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609571379 1289231965 /nfs/dbraw/zinc/23/19/65/1289231965.db2.gz GDDSKLHRMZDQCL-LBPRGKRZSA-N -2 3 351.388 0.885 20 0 FCADHL O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609571379 1289231971 /nfs/dbraw/zinc/23/19/71/1289231971.db2.gz GDDSKLHRMZDQCL-LBPRGKRZSA-N -2 3 351.388 0.885 20 0 FCADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001609716155 1289286095 /nfs/dbraw/zinc/28/60/95/1289286095.db2.gz XPQVRWPNRXBYID-PWSUYJOCSA-N -2 3 367.368 0.697 20 0 FCADHL CN(C)c1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[n-]c2=O)cc1 ZINC001610105863 1289375312 /nfs/dbraw/zinc/37/53/12/1289375312.db2.gz ZNGHFBVREDJWEX-JTQLQIEISA-N -3 3 366.374 0.372 20 0 FCADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001610290881 1289453405 /nfs/dbraw/zinc/45/34/05/1289453405.db2.gz JTCXUHLSJLXABA-UHFFFAOYSA-N -2 3 371.396 0.698 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001610735925 1289572014 /nfs/dbraw/zinc/57/20/14/1289572014.db2.gz RMGIMFMROCHSPH-UWVGGRQHSA-N -2 3 351.325 0.268 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001610742866 1289574916 /nfs/dbraw/zinc/57/49/16/1289574916.db2.gz GDWUESJSKTWKRS-RNFRBKRXSA-N -2 3 356.326 0.886 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1 ZINC001610872185 1289613607 /nfs/dbraw/zinc/61/36/07/1289613607.db2.gz BINHNWUYSIFNHH-LURJTMIESA-N -2 3 359.351 0.756 20 0 FCADHL CCC(CC)(NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1nn[n-]n1 ZINC001626904146 1290424674 /nfs/dbraw/zinc/42/46/74/1290424674.db2.gz BABRLYHAHWKLFL-UHFFFAOYSA-N -2 3 358.406 0.939 20 0 FCADHL CCC(CC)(NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1nnn[n-]1 ZINC001626904146 1290424681 /nfs/dbraw/zinc/42/46/81/1290424681.db2.gz BABRLYHAHWKLFL-UHFFFAOYSA-N -2 3 358.406 0.939 20 0 FCADHL O=C(COc1ccc(Br)cn1)NCc1nc([O-])cc(=O)[n-]1 ZINC001647868133 1291080320 /nfs/dbraw/zinc/08/03/20/1291080320.db2.gz JLTKVAVTOFMRCX-UHFFFAOYSA-N -2 3 355.148 0.741 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001178995967 850944232 /nfs/dbraw/zinc/94/42/32/850944232.db2.gz AYTBPHVIJAURBP-OAHLLOKOSA-N -2 3 356.359 0.962 20 0 FCADHL CCOC(=O)C(NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)=C(C)[O-] ZINC001185324295 851352649 /nfs/dbraw/zinc/35/26/49/851352649.db2.gz HQJBNKDYZITDSR-LBPRGKRZSA-N -2 3 359.356 0.192 20 0 FCADHL Cn1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c2ncnc1-2 ZINC001185556194 851361926 /nfs/dbraw/zinc/36/19/26/851361926.db2.gz VWTFWEXGTOUQKY-UHFFFAOYSA-N -2 3 357.359 0.296 20 0 FCADHL Cn1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c2ncnc1-2 ZINC001185556194 851361933 /nfs/dbraw/zinc/36/19/33/851361933.db2.gz VWTFWEXGTOUQKY-UHFFFAOYSA-N -2 3 357.359 0.296 20 0 FCADHL NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185598045 851368446 /nfs/dbraw/zinc/36/84/46/851368446.db2.gz HKKXKPAFBXPJRO-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185598045 851368450 /nfs/dbraw/zinc/36/84/50/851368450.db2.gz HKKXKPAFBXPJRO-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL Cn1c([O-])nc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1=O ZINC001187159880 851521108 /nfs/dbraw/zinc/52/11/08/851521108.db2.gz ITWXUJCWZCWBBE-UHFFFAOYSA-N -2 3 361.792 0.649 20 0 FCADHL CCOC(=O)C(NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)=C(C)[O-] ZINC001188337657 851670778 /nfs/dbraw/zinc/67/07/78/851670778.db2.gz ZDEAGBBGIXTGAQ-LLVKDONJSA-N -2 3 363.775 0.837 20 0 FCADHL COC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189330407 851779388 /nfs/dbraw/zinc/77/93/88/851779388.db2.gz HCZWKWWTFUTVIQ-NSHDSACASA-N -2 3 351.327 0.791 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CC[C@@H](O)C2)c(F)cc1F ZINC001195254027 852731785 /nfs/dbraw/zinc/73/17/85/852731785.db2.gz FONRSINMVXQMQY-MRVPVSSYSA-N -2 3 350.343 0.008 20 0 FCADHL COC(=O)c1ccc(CS(=O)(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001201230676 853521509 /nfs/dbraw/zinc/52/15/09/853521509.db2.gz VYYBWWJJEBSEEX-UHFFFAOYSA-N -2 3 365.344 0.851 20 0 FCADHL CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](Oc3nc(=O)[n-]c(=O)[n-]3)CO2)C1 ZINC001227565553 857164998 /nfs/dbraw/zinc/16/49/98/857164998.db2.gz ACGKMQCXWGGDTO-VFZGTOFNSA-N -2 3 354.363 0.830 20 0 FCADHL COC(=O)c1sccc1S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001259014560 858224239 /nfs/dbraw/zinc/22/42/39/858224239.db2.gz SWVGGOJPPUPVSX-UHFFFAOYSA-N -2 3 357.346 0.771 20 0 FCADHL CN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1=O ZINC001259222214 858249421 /nfs/dbraw/zinc/24/94/21/858249421.db2.gz MOVJLFPTCQFOKL-VIFPVBQESA-N -2 3 350.755 0.686 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)c(F)cc1Cl ZINC001259221528 858249541 /nfs/dbraw/zinc/24/95/41/858249541.db2.gz KYMJNBPYWJFLSO-ZCFIWIBFSA-N -2 3 371.795 0.643 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)NCCCCP(=O)([O-])[O-])ccc1O ZINC001260404330 858370480 /nfs/dbraw/zinc/37/04/80/858370480.db2.gz WEDMTHYPCASDQG-UHFFFAOYSA-N -3 3 353.289 0.327 20 0 FCADHL O=C([O-])CN1CCC([N-]S(=O)(=O)c2occc2Br)CC1 ZINC001333618034 874010721 /nfs/dbraw/zinc/01/07/21/874010721.db2.gz VEILGNFETKMKOS-UHFFFAOYSA-N -2 3 367.221 0.869 20 0 FCADHL CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000322481674 970892907 /nfs/dbraw/zinc/89/29/07/970892907.db2.gz UFPMELKJSJHPIB-SSDOTTSWSA-N -2 3 350.343 0.854 20 0 FCADHL CCOC(=O)c1cnn(Cc2nc(=O)c3sccc3[n-]2)c1-c1nnn[n-]1 ZINC000825570724 947230087 /nfs/dbraw/zinc/23/00/87/947230087.db2.gz NTWFWQMSISZCOG-UHFFFAOYSA-N -2 3 372.370 0.999 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1nc(=O)o[n-]1 ZINC001573822570 949795876 /nfs/dbraw/zinc/79/58/76/949795876.db2.gz JUVXJLXDLJDGTE-LBPRGKRZSA-N -2 3 357.374 0.989 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1nc(=O)o[n-]1 ZINC001573822570 949795894 /nfs/dbraw/zinc/79/58/94/949795894.db2.gz JUVXJLXDLJDGTE-LBPRGKRZSA-N -2 3 357.374 0.989 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1nc(=O)o[n-]1 ZINC001573822751 949802871 /nfs/dbraw/zinc/80/28/71/949802871.db2.gz MARIXVMYUWTDSZ-LBPRGKRZSA-N -2 3 373.373 0.825 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1nc(=O)o[n-]1 ZINC001573822751 949802890 /nfs/dbraw/zinc/80/28/90/949802890.db2.gz MARIXVMYUWTDSZ-LBPRGKRZSA-N -2 3 373.373 0.825 20 0 FCADHL CC(C)(C)[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1nc(=O)o[n-]1 ZINC001573822750 949805201 /nfs/dbraw/zinc/80/52/01/949805201.db2.gz MARIXVMYUWTDSZ-GFCCVEGCSA-N -2 3 373.373 0.825 20 0 FCADHL CC(C)(C)[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1nc(=O)o[n-]1 ZINC001573822750 949805224 /nfs/dbraw/zinc/80/52/24/949805224.db2.gz MARIXVMYUWTDSZ-GFCCVEGCSA-N -2 3 373.373 0.825 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCn2cc(Br)cn2)o1 ZINC000379935817 971665504 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FCADHL C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncccc1[O-] ZINC001575177674 952402024 /nfs/dbraw/zinc/40/20/24/952402024.db2.gz ISOHAVYZJNIYSW-VIFPVBQESA-N -2 3 355.362 0.330 20 0 FCADHL C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncccc1[O-] ZINC001575177674 952402027 /nfs/dbraw/zinc/40/20/27/952402027.db2.gz ISOHAVYZJNIYSW-VIFPVBQESA-N -2 3 355.362 0.330 20 0 FCADHL O=C([O-])[C@H](NC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccc(F)cc1 ZINC001594798850 953720580 /nfs/dbraw/zinc/72/05/80/953720580.db2.gz NDADLROGGZTRPW-SNVBAGLBSA-N -2 3 362.321 0.783 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H]1CC2(CC2)C(=O)O1 ZINC001594896903 954575655 /nfs/dbraw/zinc/57/56/55/954575655.db2.gz VAOSFSHINZTEAW-UTLUCORTSA-N -2 3 364.320 0.678 20 0 FCADHL C[C@H](NC(=O)Nc1n[n-]nc1C(=O)NC1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108966 956054876 /nfs/dbraw/zinc/05/48/76/956054876.db2.gz UXURTJZITHLUTJ-UJNFCWOMSA-N -2 3 364.406 0.954 20 0 FCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)c1 ZINC001573329734 958512050 /nfs/dbraw/zinc/51/20/50/958512050.db2.gz LSZJTLFJELOTTJ-QGZVFWFLSA-N -2 3 364.354 0.459 20 0 FCADHL COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000392510941 972492577 /nfs/dbraw/zinc/49/25/77/972492577.db2.gz PBZZIFOBJVAALN-JTQLQIEISA-N -2 3 370.408 0.904 20 0 FCADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)[O-] ZINC001588831117 961720309 /nfs/dbraw/zinc/72/03/09/961720309.db2.gz DLUCMILJGGQWFM-ZETCQYMHSA-N -2 3 354.226 0.818 20 0 FCADHL O=C([O-])c1n[nH]cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001574531677 961904036 /nfs/dbraw/zinc/90/40/36/961904036.db2.gz RSOVXQIRLWECCL-UHFFFAOYSA-N -2 3 364.792 0.740 20 0 FCADHL C[C@@H](CC(=O)N1CC(C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001588989291 962796689 /nfs/dbraw/zinc/79/66/89/962796689.db2.gz CHGCPTOUSDZCAO-QMMMGPOBSA-N -2 3 361.807 0.335 20 0 FCADHL CC(CO)(CO)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000393879179 972654977 /nfs/dbraw/zinc/65/49/77/972654977.db2.gz DGIKDLXTTMDJOU-UHFFFAOYSA-N -2 3 355.771 0.447 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)[C@@H]3CO[C@@H](CCC(=O)[O-])C3)C2)n1 ZINC001605091371 972735651 /nfs/dbraw/zinc/73/56/51/972735651.db2.gz COUIRDKINRBZEU-AVGNSLFASA-N -2 3 364.402 0.455 20 0 FCADHL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([O-])cn1 ZINC001605971314 972982764 /nfs/dbraw/zinc/98/27/64/972982764.db2.gz WZMUHUQBKHTPRY-WCBMZHEXSA-N -3 3 361.276 0.524 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC001606022503 973113293 /nfs/dbraw/zinc/11/32/93/973113293.db2.gz URYWGIOZGSFCCR-UHFFFAOYSA-N -2 3 364.370 0.844 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@]23C[C@H]2COC3)c(Br)o1 ZINC000718031360 977930702 /nfs/dbraw/zinc/93/07/02/977930702.db2.gz FCSQZKLTHCYODC-RRAGMBSWSA-N -2 3 352.162 0.808 20 0 FCADHL C[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])CNC(=O)OC(C)(C)C ZINC001592688909 979134970 /nfs/dbraw/zinc/13/49/70/979134970.db2.gz RPOIZVLFPAHJKH-MRVPVSSYSA-N -2 3 362.408 0.547 20 0 FCADHL CC[C@@](COC)([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC001595198971 979933833 /nfs/dbraw/zinc/93/38/33/979933833.db2.gz SMGVQBJXAQGEAB-AWEZNQCLSA-N -2 3 363.363 0.770 20 0 FCADHL C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C1=CCN(C)CC1 ZINC001593051141 980347097 /nfs/dbraw/zinc/34/70/97/980347097.db2.gz IVZKCSWQWGBBCH-BTTVTARESA-N -2 3 365.430 0.844 20 0 FCADHL C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C1=CCN(C)CC1 ZINC001593051139 980347471 /nfs/dbraw/zinc/34/74/71/980347471.db2.gz IVZKCSWQWGBBCH-AJOZBUNDSA-N -2 3 365.430 0.844 20 0 FCADHL CCN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1=O ZINC001596418856 984048047 /nfs/dbraw/zinc/04/80/47/984048047.db2.gz WRGQEKQPMOFHGB-SECBINFHSA-N -2 3 362.354 0.952 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])[C@@H]2CCOC2)s1 ZINC001589225354 985754482 /nfs/dbraw/zinc/75/44/82/985754482.db2.gz SYDZIARCXZLBEX-RKDXNWHRSA-N -2 3 363.417 0.117 20 0 FCADHL CCc1ccc([C@H](O)C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC001597514371 988119850 /nfs/dbraw/zinc/11/98/50/988119850.db2.gz MDFPHYJJJMNJSG-GFCCVEGCSA-N -2 3 353.400 0.991 20 0 FCADHL C[C@@H]1C[C@H](C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)O[C@H]1C(=O)[O-] ZINC001599873138 989380409 /nfs/dbraw/zinc/38/04/09/989380409.db2.gz AGHQPQWRXLPQPE-GWOFURMSSA-N -2 3 366.336 0.782 20 0 FCADHL CC(C)(C)OC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001590332242 989770078 /nfs/dbraw/zinc/77/00/78/989770078.db2.gz IVUQMACUQMJYHV-BDAKNGLRSA-N -2 3 359.404 0.897 20 0 FCADHL CN(C)C(=O)C1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCCC1 ZINC001598114058 990513719 /nfs/dbraw/zinc/51/37/19/990513719.db2.gz QEWNVOPIWXSPMP-UHFFFAOYSA-N -2 3 361.445 0.768 20 0 FCADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1cccc(F)c1 ZINC001598174049 990717568 /nfs/dbraw/zinc/71/75/68/990717568.db2.gz QJXDMXHOCIXBQS-LBPRGKRZSA-N -2 3 356.379 0.828 20 0 FCADHL CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nc(C(=O)[O-])ns2)cn1 ZINC001598271057 991139857 /nfs/dbraw/zinc/13/98/57/991139857.db2.gz QJZJSAPFEKRFSU-UHFFFAOYSA-N -2 3 357.373 0.134 20 0 FCADHL CN(C)c1ncc(Br)c(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)n1 ZINC001598354466 991470637 /nfs/dbraw/zinc/47/06/37/991470637.db2.gz ZAWCWGCKLYRLLA-UHFFFAOYSA-N -2 3 370.167 0.303 20 0 FCADHL COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001599719450 991512038 /nfs/dbraw/zinc/51/20/38/991512038.db2.gz OBXIEEBVVLQKRO-SECBINFHSA-N -2 3 358.397 0.862 20 0 FCADHL COc1cc[n-]c(=NNS(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)n1 ZINC001599722227 991558999 /nfs/dbraw/zinc/55/89/99/991558999.db2.gz DIHXRSLWKVJSKT-NSHDSACASA-N -2 3 352.372 0.600 20 0 FCADHL CS(=O)(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001599756300 992058659 /nfs/dbraw/zinc/05/86/59/992058659.db2.gz WNIUJKPVPDEWHQ-VIFPVBQESA-N -2 3 366.417 0.070 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1F ZINC001599761033 992122889 /nfs/dbraw/zinc/12/28/89/992122889.db2.gz 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ZINC000826277127 607632881 /nfs/dbraw/zinc/63/28/81/607632881.db2.gz KKDZOOQSPLXVGM-UHFFFAOYSA-N -2 3 353.342 0.757 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]OCc1cccnc1 ZINC000826277127 607632882 /nfs/dbraw/zinc/63/28/82/607632882.db2.gz KKDZOOQSPLXVGM-UHFFFAOYSA-N -2 3 353.342 0.757 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)[N-]OCc1cccnc1 ZINC000826174645 607634421 /nfs/dbraw/zinc/63/44/21/607634421.db2.gz DVBSYBYHWDASCJ-UHFFFAOYSA-N -2 3 356.342 0.897 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)[N-]OCc1cccnc1 ZINC000826174645 607634422 /nfs/dbraw/zinc/63/44/22/607634422.db2.gz DVBSYBYHWDASCJ-UHFFFAOYSA-N -2 3 356.342 0.897 20 0 FCADHL CCC[C@@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825232554 607635883 /nfs/dbraw/zinc/63/58/83/607635883.db2.gz HZIFONWUYWWEQP-CYBMUJFWSA-N -2 3 361.374 0.974 20 0 FCADHL CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825060611 607637319 /nfs/dbraw/zinc/63/73/19/607637319.db2.gz RNMIRDNECVGLFY-CPCISQLKSA-N -2 3 361.374 0.830 20 0 FCADHL O=C([O-])CC1(NCC2=Nc3ccccc3S(=O)(=O)[N-]2)CCOCC1 ZINC000833206626 604794801 /nfs/dbraw/zinc/79/48/01/604794801.db2.gz VPWDUBMRCUZJKI-UHFFFAOYSA-N -2 3 353.400 0.622 20 0 FCADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000833426861 605003812 /nfs/dbraw/zinc/00/38/12/605003812.db2.gz OVQSXZQGHCIMLE-VIFPVBQESA-N -2 3 372.407 0.726 20 0 FCADHL COC[C@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC000821683886 606145130 /nfs/dbraw/zinc/14/51/30/606145130.db2.gz MQPSUJURBGXOGO-NSHDSACASA-N -2 3 350.360 0.521 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC000821683885 606145304 /nfs/dbraw/zinc/14/53/04/606145304.db2.gz MQPSUJURBGXOGO-LLVKDONJSA-N -2 3 350.360 0.521 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000823387584 606336875 /nfs/dbraw/zinc/33/68/75/606336875.db2.gz PSOYIRKAHKQCHX-SNVBAGLBSA-N -2 3 351.388 0.493 20 0 FCADHL O=C([O-])[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000823387584 606336877 /nfs/dbraw/zinc/33/68/77/606336877.db2.gz PSOYIRKAHKQCHX-SNVBAGLBSA-N -2 3 351.388 0.493 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000822645710 606406226 /nfs/dbraw/zinc/40/62/26/606406226.db2.gz LPBWTBISUCSIKO-UHFFFAOYSA-N -2 3 366.790 0.977 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000822645710 606406228 /nfs/dbraw/zinc/40/62/28/606406228.db2.gz LPBWTBISUCSIKO-UHFFFAOYSA-N -2 3 366.790 0.977 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000822645656 606408163 /nfs/dbraw/zinc/40/81/63/606408163.db2.gz JEMMAJQVBKWFGK-UHFFFAOYSA-N -2 3 352.420 0.845 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000822645656 606408165 /nfs/dbraw/zinc/40/81/65/606408165.db2.gz JEMMAJQVBKWFGK-UHFFFAOYSA-N -2 3 352.420 0.845 20 0 FCADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cn1C ZINC000821667807 606591197 /nfs/dbraw/zinc/59/11/97/606591197.db2.gz BAROPYUTTSCHGI-UHFFFAOYSA-N -2 3 362.371 0.793 20 0 FCADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1C ZINC000821667807 606591200 /nfs/dbraw/zinc/59/12/00/606591200.db2.gz BAROPYUTTSCHGI-UHFFFAOYSA-N -2 3 362.371 0.793 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCO1 ZINC000822222970 606749417 /nfs/dbraw/zinc/74/94/17/606749417.db2.gz ZMWTWFMZIGMPSA-CQSZACIVSA-N -2 3 351.388 0.549 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCO1 ZINC000822222970 606749419 /nfs/dbraw/zinc/74/94/19/606749419.db2.gz ZMWTWFMZIGMPSA-CQSZACIVSA-N -2 3 351.388 0.549 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000821686365 606758601 /nfs/dbraw/zinc/75/86/01/606758601.db2.gz MILJHJHEOXOKOZ-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000821686365 606758603 /nfs/dbraw/zinc/75/86/03/606758603.db2.gz MILJHJHEOXOKOZ-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCSC1 ZINC000822222309 606801596 /nfs/dbraw/zinc/80/15/96/606801596.db2.gz CDNINYFXTCYDPN-SNVBAGLBSA-N -2 3 353.429 0.733 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCSC1 ZINC000822222309 606801598 /nfs/dbraw/zinc/80/15/98/606801598.db2.gz CDNINYFXTCYDPN-SNVBAGLBSA-N -2 3 353.429 0.733 20 0 FCADHL Cn1cc(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000822680861 606886568 /nfs/dbraw/zinc/88/65/68/606886568.db2.gz QMVPVSGJBACTAR-UHFFFAOYSA-N -2 3 369.357 0.399 20 0 FCADHL O=S(=O)([N-]C[C@H]1CCCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573598 606887501 /nfs/dbraw/zinc/88/75/01/606887501.db2.gz XJGQOUNNYHXTHH-MRVPVSSYSA-N -2 3 359.358 0.850 20 0 FCADHL O=S(=O)([N-]CCCn1cncn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572762 606887630 /nfs/dbraw/zinc/88/76/30/606887630.db2.gz LXOAYDAGELZIGF-UHFFFAOYSA-N -2 3 370.345 0.105 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CC(=O)[O-])CC1CC1 ZINC000821700159 607103137 /nfs/dbraw/zinc/10/31/37/607103137.db2.gz FRFKJVVYRWSXHU-UHFFFAOYSA-N -2 3 361.358 0.577 20 0 FCADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(N)=O ZINC000819949878 607126655 /nfs/dbraw/zinc/12/66/55/607126655.db2.gz ARICQSLXSDTPCJ-SNVBAGLBSA-N -2 3 374.373 0.323 20 0 FCADHL Cc1cncc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822399235 607184814 /nfs/dbraw/zinc/18/48/14/607184814.db2.gz CYPJBWKKCUGXPO-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cncc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822399235 607184815 /nfs/dbraw/zinc/18/48/15/607184815.db2.gz CYPJBWKKCUGXPO-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000821461469 607206446 /nfs/dbraw/zinc/20/64/46/607206446.db2.gz PDAUUXDQYREEKT-CABZTGNLSA-N -2 3 353.404 0.785 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450092 607777628 /nfs/dbraw/zinc/77/76/28/607777628.db2.gz WWAXJJCJYDVXQA-UHFFFAOYSA-N -2 3 373.398 0.622 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450092 607777629 /nfs/dbraw/zinc/77/76/29/607777629.db2.gz WWAXJJCJYDVXQA-UHFFFAOYSA-N -2 3 373.398 0.622 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450242 607778294 /nfs/dbraw/zinc/77/82/94/607778294.db2.gz CPKXJPIMFILPSC-UHFFFAOYSA-N -2 3 369.366 0.862 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450242 607778295 /nfs/dbraw/zinc/77/82/95/607778295.db2.gz CPKXJPIMFILPSC-UHFFFAOYSA-N -2 3 369.366 0.862 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825076123 607778486 /nfs/dbraw/zinc/77/84/86/607778486.db2.gz TYQGBLACLMHOEI-JTQLQIEISA-N -2 3 353.404 0.795 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825076123 607778487 /nfs/dbraw/zinc/77/84/87/607778487.db2.gz TYQGBLACLMHOEI-JTQLQIEISA-N -2 3 353.404 0.795 20 0 FCADHL O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cc(=O)[nH][n-]1 ZINC000826478606 607781307 /nfs/dbraw/zinc/78/13/07/607781307.db2.gz GOCVRPQJHREUFN-UHFFFAOYSA-N -2 3 354.355 0.805 20 0 FCADHL O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cc(=O)[nH][n-]1 ZINC000826478606 607781308 /nfs/dbraw/zinc/78/13/08/607781308.db2.gz GOCVRPQJHREUFN-UHFFFAOYSA-N -2 3 354.355 0.805 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)[O-] ZINC000824634743 608010419 /nfs/dbraw/zinc/01/04/19/608010419.db2.gz XPHNNRONGUSNHE-RXMQYKEDSA-N -2 3 365.293 0.637 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)[O-] ZINC000824634743 608010420 /nfs/dbraw/zinc/01/04/20/608010420.db2.gz XPHNNRONGUSNHE-RXMQYKEDSA-N -2 3 365.293 0.637 20 0 FCADHL C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000824641167 608010644 /nfs/dbraw/zinc/01/06/44/608010644.db2.gz SNADKWAXRIAJBO-YFKPBYRVSA-N -2 3 365.293 0.637 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000826461213 608010898 /nfs/dbraw/zinc/01/08/98/608010898.db2.gz LHERYZPQTGORDW-UHFFFAOYSA-N -2 3 351.388 0.684 20 0 FCADHL O=C([O-])C1(NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000826461213 608010899 /nfs/dbraw/zinc/01/08/99/608010899.db2.gz LHERYZPQTGORDW-UHFFFAOYSA-N -2 3 351.388 0.684 20 0 FCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825075526 608144926 /nfs/dbraw/zinc/14/49/26/608144926.db2.gz PDEIGCSNGAAJMR-UWVGGRQHSA-N -2 3 353.404 0.879 20 0 FCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825075526 608144927 /nfs/dbraw/zinc/14/49/27/608144927.db2.gz PDEIGCSNGAAJMR-UWVGGRQHSA-N -2 3 353.404 0.879 20 0 FCADHL CCc1cccnc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825728755 608315987 /nfs/dbraw/zinc/31/59/87/608315987.db2.gz YMSWEJIQWOZLBK-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CCc1cccnc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825728755 608315989 /nfs/dbraw/zinc/31/59/89/608315989.db2.gz YMSWEJIQWOZLBK-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824377606 608455189 /nfs/dbraw/zinc/45/51/89/608455189.db2.gz IJZQTCQNQRTNOQ-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824377606 608455190 /nfs/dbraw/zinc/45/51/90/608455190.db2.gz IJZQTCQNQRTNOQ-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)nc1C ZINC000825805269 608822237 /nfs/dbraw/zinc/82/22/37/608822237.db2.gz ZZSXWFPBZDJICM-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)nc1C ZINC000825805269 608822240 /nfs/dbraw/zinc/82/22/40/608822240.db2.gz ZZSXWFPBZDJICM-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL CC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825181320 609139269 /nfs/dbraw/zinc/13/92/69/609139269.db2.gz CVHJIXXSNQIFOX-VXGBXAGGSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825181320 609139270 /nfs/dbraw/zinc/13/92/70/609139270.db2.gz CVHJIXXSNQIFOX-VXGBXAGGSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825181312 609139430 /nfs/dbraw/zinc/13/94/30/609139430.db2.gz CVHJIXXSNQIFOX-NEPJUHHUSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825181312 609139432 /nfs/dbraw/zinc/13/94/32/609139432.db2.gz CVHJIXXSNQIFOX-NEPJUHHUSA-N -2 3 365.415 0.877 20 0 FCADHL Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260083 609162094 /nfs/dbraw/zinc/16/20/94/609162094.db2.gz VIGVSRFQWCDULH-UHFFFAOYSA-N -2 3 366.345 0.115 20 0 FCADHL Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260083 609162096 /nfs/dbraw/zinc/16/20/96/609162096.db2.gz VIGVSRFQWCDULH-UHFFFAOYSA-N -2 3 366.345 0.115 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2COCCOC2)c(Br)o1 ZINC000312811931 664264788 /nfs/dbraw/zinc/26/47/88/664264788.db2.gz LRKPIFGJMWLQSD-UHFFFAOYSA-N -2 3 370.177 0.434 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1nc(C)c(C(=O)[O-])s1 ZINC000912558132 666458311 /nfs/dbraw/zinc/45/83/11/666458311.db2.gz JTVXTTZKNOKHDH-UHFFFAOYSA-N -2 3 374.400 0.446 20 0 FCADHL CNC(=O)[N-][N-]S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000156722183 666544838 /nfs/dbraw/zinc/54/48/38/666544838.db2.gz ZNHXGIIRVMWRPT-UHFFFAOYSA-N -2 3 351.226 0.637 20 0 FCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000736932887 667464825 /nfs/dbraw/zinc/46/48/25/667464825.db2.gz WHFKFMCBMUJQLY-UHFFFAOYSA-N -2 3 363.359 0.037 20 0 FCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000736932887 667464826 /nfs/dbraw/zinc/46/48/26/667464826.db2.gz WHFKFMCBMUJQLY-UHFFFAOYSA-N -2 3 363.359 0.037 20 0 FCADHL O=C(c1cc(Br)ccc1[O-])N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000738246760 667909674 /nfs/dbraw/zinc/90/96/74/667909674.db2.gz IWOXQYBNPRBIEY-SNVBAGLBSA-N -2 3 354.164 0.882 20 0 FCADHL O=C(c1cc(Br)ccc1[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000738246760 667909676 /nfs/dbraw/zinc/90/96/76/667909676.db2.gz IWOXQYBNPRBIEY-SNVBAGLBSA-N -2 3 354.164 0.882 20 0 FCADHL C[C@H](CC(=O)[O-])NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000767086292 668044714 /nfs/dbraw/zinc/04/47/14/668044714.db2.gz QYDWDAYGORQRHG-SSDOTTSWSA-N -2 3 362.354 0.999 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)c2cocn2)cc1F ZINC000784899283 668681126 /nfs/dbraw/zinc/68/11/26/668681126.db2.gz VHQAADWVCVOAGV-UHFFFAOYSA-N -2 3 363.348 0.304 20 0 FCADHL COC(=O)c1sc(S(=O)(=O)[N-]CCOCC(=O)[O-])c(C)c1Cl ZINC000788442245 668828722 /nfs/dbraw/zinc/82/87/22/668828722.db2.gz NAMKQAQEGZTTCU-UHFFFAOYSA-N -2 3 371.820 0.876 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC ZINC000788699363 668838856 /nfs/dbraw/zinc/83/88/56/668838856.db2.gz VLAWEOKODUXPMR-SSDOTTSWSA-N -2 3 366.779 0.290 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824868880 669422207 /nfs/dbraw/zinc/42/22/07/669422207.db2.gz XFSFUSJAGBSCDH-GXSJLCMTSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824868880 669422212 /nfs/dbraw/zinc/42/22/12/669422212.db2.gz XFSFUSJAGBSCDH-GXSJLCMTSA-N -2 3 351.388 0.487 20 0 FCADHL CCn1nc(C)c(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)c1C ZINC000825807977 669469682 /nfs/dbraw/zinc/46/96/82/669469682.db2.gz ZQLSUVRPEMRKGY-UHFFFAOYSA-N -2 3 351.396 0.532 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)cn1 ZINC000826163593 669486177 /nfs/dbraw/zinc/48/61/77/669486177.db2.gz BHPJPNQSKKNSHX-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL O=C([O-])C1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCSCC1 ZINC000826417057 669493353 /nfs/dbraw/zinc/49/33/53/669493353.db2.gz BUPYFSBOPMXECH-UHFFFAOYSA-N -2 3 363.399 0.712 20 0 FCADHL COc1ccccc1CO[N-]C(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000811493622 669755264 /nfs/dbraw/zinc/75/52/64/669755264.db2.gz MAIZKGIJYYDWBC-UHFFFAOYSA-N -2 3 369.399 0.826 20 0 FCADHL Cn1[n-]c(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)nc1=O ZINC000817294985 670006587 /nfs/dbraw/zinc/00/65/87/670006587.db2.gz URAMMNAAACBYEA-JTQLQIEISA-N -2 3 355.320 0.718 20 0 FCADHL CC(F)(F)C[N-]S(=O)(=O)CCCCS(=O)(=O)[N-]CC(C)(F)F ZINC000867308312 670748786 /nfs/dbraw/zinc/74/87/86/670748786.db2.gz GZMFBCRPNUAJJE-UHFFFAOYSA-N -2 3 372.406 0.916 20 0 FCADHL C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844895601 670954254 /nfs/dbraw/zinc/95/42/54/670954254.db2.gz SIGACYFLVPZXRK-LURJTMIESA-N -2 3 357.356 0.374 20 0 FCADHL Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C2 ZINC000846767764 671148160 /nfs/dbraw/zinc/14/81/60/671148160.db2.gz MHEWWJUSQQBBAJ-ZETCQYMHSA-N -2 3 372.353 0.627 20 0 FCADHL O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC000874417258 672782690 /nfs/dbraw/zinc/78/26/90/672782690.db2.gz KQEZSRPMOASXFI-LPEHRKFASA-N -2 3 351.325 0.950 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)c(=O)[n-]1 ZINC000132889275 673397919 /nfs/dbraw/zinc/39/79/19/673397919.db2.gz KQJXKEPQPZYORB-UHFFFAOYSA-N -2 3 371.365 0.854 20 0 FCADHL Cc1ccc([O-])c(NC(=O)c2cc3n(n2)CCCN(CC(=O)[O-])C3=O)n1 ZINC001178366059 1206356121 /nfs/dbraw/zinc/35/61/21/1206356121.db2.gz OXYWZPYFZKECKZ-UHFFFAOYSA-N -2 3 359.342 0.475 20 0 FCADHL O=C(c1ccccc1[O-])N1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC000960277529 1213691179 /nfs/dbraw/zinc/69/11/79/1213691179.db2.gz OHFHIBGETSFFQO-XJKSGUPXSA-N -2 3 369.377 0.858 20 0 FCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnc(C2CC2)[n-]c1=O ZINC001097990615 1219044933 /nfs/dbraw/zinc/04/49/33/1219044933.db2.gz FWTIFHGXPLWUFD-JLLWLGSASA-N -2 3 371.401 0.419 20 0 FCADHL O=C([O-])C[C@H](O)C(=O)Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230188027 1226061984 /nfs/dbraw/zinc/06/19/84/1226061984.db2.gz FOIADMMFYYMKGD-AWEZNQCLSA-N -2 3 373.365 0.482 20 0 FCADHL CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1ncccc1[O-] ZINC000941600920 1246709183 /nfs/dbraw/zinc/70/91/83/1246709183.db2.gz JXDZGSNSPMCFCM-ZWNOBZJWSA-N -2 3 358.354 0.157 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001005266712 1253511980 /nfs/dbraw/zinc/51/19/80/1253511980.db2.gz LXLCVZSGBVNFEN-UTUOFQBUSA-N -2 3 369.381 0.767 20 0 FCADHL CC(C)(C)OC(=O)N1CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)CC(=O)C1 ZINC001233934937 1259554957 /nfs/dbraw/zinc/55/49/57/1259554957.db2.gz PNXNLWSFUCPHOQ-JTQLQIEISA-N -2 3 363.374 0.994 20 0 FCADHL C[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315610 1278116218 /nfs/dbraw/zinc/11/62/18/1278116218.db2.gz RTYIYSOKULVANV-SFYZADRCSA-N -2 3 356.312 0.550 20 0 FCADHL C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001580315610 1278116219 /nfs/dbraw/zinc/11/62/19/1278116219.db2.gz RTYIYSOKULVANV-SFYZADRCSA-N -2 3 356.312 0.550 20 0 FCADHL C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001580363091 1278167713 /nfs/dbraw/zinc/16/77/13/1278167713.db2.gz AHCJKLFACWOBNB-NXEZZACHSA-N -2 3 367.373 0.012 20 0 FCADHL C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001580363091 1278167717 /nfs/dbraw/zinc/16/77/17/1278167717.db2.gz AHCJKLFACWOBNB-NXEZZACHSA-N -2 3 367.373 0.012 20 0 FCADHL O=C([O-])[C@@]12COC[C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC001549225383 1267864667 /nfs/dbraw/zinc/86/46/67/1267864667.db2.gz SSIKVJOUHGSXDM-UHYGZKCKSA-N -2 3 374.393 0.556 20 0 FCADHL C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ncccc1[O-] ZINC001576075612 1272844311 /nfs/dbraw/zinc/84/43/11/1272844311.db2.gz GXVDNEJBDUQBJX-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ncccc1[O-] ZINC001576075612 1272844316 /nfs/dbraw/zinc/84/43/16/1272844316.db2.gz GXVDNEJBDUQBJX-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001580716494 1278786241 /nfs/dbraw/zinc/78/62/41/1278786241.db2.gz DXRMDXSBADRCIL-SNVBAGLBSA-N -2 3 367.373 0.392 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001580716494 1278786260 /nfs/dbraw/zinc/78/62/60/1278786260.db2.gz DXRMDXSBADRCIL-SNVBAGLBSA-N -2 3 367.373 0.392 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001580758337 1278874131 /nfs/dbraw/zinc/87/41/31/1278874131.db2.gz KGLLZLQMGHRHFQ-DTORHVGOSA-N -2 3 370.377 0.075 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1[O-] ZINC001580758337 1278874143 /nfs/dbraw/zinc/87/41/43/1278874143.db2.gz KGLLZLQMGHRHFQ-DTORHVGOSA-N -2 3 370.377 0.075 20 0 FCADHL CCN(CCCNC(=O)c1[nH]nc(C)c1[O-])c1nccnc1-c1nnn[n-]1 ZINC001577914364 1275120135 /nfs/dbraw/zinc/12/01/35/1275120135.db2.gz DRRXTJDARMTWKE-UHFFFAOYSA-N -2 3 372.393 0.040 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1cncc(-c2nnn[n-]2)n1 ZINC001578101631 1275404232 /nfs/dbraw/zinc/40/42/32/1275404232.db2.gz MNFSUKJTTYCPHE-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1cncc(-c2nn[n-]n2)n1 ZINC001578101631 1275404233 /nfs/dbraw/zinc/40/42/33/1275404233.db2.gz MNFSUKJTTYCPHE-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001578101841 1275406758 /nfs/dbraw/zinc/40/67/58/1275406758.db2.gz XJVVRVZRWKUHNP-UHFFFAOYSA-N -2 3 370.373 0.188 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001578101841 1275406762 /nfs/dbraw/zinc/40/67/62/1275406762.db2.gz XJVVRVZRWKUHNP-UHFFFAOYSA-N -2 3 370.373 0.188 20 0 FCADHL CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001578254592 1275555466 /nfs/dbraw/zinc/55/54/66/1275555466.db2.gz XJNBWSNPASLQII-UHFFFAOYSA-N -2 3 357.330 0.735 20 0 FCADHL CCc1nc(N[C@@H](C)CNC(=O)c2ncccc2[O-])cc(-c2nnn[n-]2)n1 ZINC001578628235 1276074649 /nfs/dbraw/zinc/07/46/49/1276074649.db2.gz MSGGSPNAXHYYCQ-VIFPVBQESA-N -2 3 369.389 0.550 20 0 FCADHL CCc1nc(N[C@@H](C)CNC(=O)c2ncccc2[O-])cc(-c2nn[n-]n2)n1 ZINC001578628235 1276074656 /nfs/dbraw/zinc/07/46/56/1276074656.db2.gz MSGGSPNAXHYYCQ-VIFPVBQESA-N -2 3 369.389 0.550 20 0 FCADHL CCn1[n-]nnc1=NC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001578838888 1276358137 /nfs/dbraw/zinc/35/81/37/1276358137.db2.gz ZMTYMFKFTNMXTM-LBPRGKRZSA-N -2 3 354.378 0.494 20 0 FCADHL CCn1[n-]nnc1=NC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001578838888 1276358143 /nfs/dbraw/zinc/35/81/43/1276358143.db2.gz ZMTYMFKFTNMXTM-LBPRGKRZSA-N -2 3 354.378 0.494 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001578949922 1276493913 /nfs/dbraw/zinc/49/39/13/1276493913.db2.gz MQLJPQCPDWSXAA-NSHDSACASA-N -2 3 366.385 0.713 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001578949922 1276493914 /nfs/dbraw/zinc/49/39/14/1276493914.db2.gz MQLJPQCPDWSXAA-NSHDSACASA-N -2 3 366.385 0.713 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001578949920 1276494691 /nfs/dbraw/zinc/49/46/91/1276494691.db2.gz MQLJPQCPDWSXAA-LLVKDONJSA-N -2 3 366.385 0.713 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001578949920 1276494694 /nfs/dbraw/zinc/49/46/94/1276494694.db2.gz MQLJPQCPDWSXAA-LLVKDONJSA-N -2 3 366.385 0.713 20 0 FCADHL CN(CCCN(C)c1ncccc1-c1nnn[n-]1)C(=O)c1ncccc1[O-] ZINC001579121054 1276795330 /nfs/dbraw/zinc/79/53/30/1276795330.db2.gz HOIJWOANPUXQLN-UHFFFAOYSA-N -2 3 368.401 0.961 20 0 FCADHL CN(CCCN(C)c1ncccc1-c1nn[n-]n1)C(=O)c1ncccc1[O-] ZINC001579121054 1276795333 /nfs/dbraw/zinc/79/53/33/1276795333.db2.gz HOIJWOANPUXQLN-UHFFFAOYSA-N -2 3 368.401 0.961 20 0 FCADHL CN(c1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579270860 1277071081 /nfs/dbraw/zinc/07/10/81/1277071081.db2.gz QTIPJWNGRKYNHB-GFCCVEGCSA-N -2 3 366.385 0.713 20 0 FCADHL CN(c1ncccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579293523 1277118598 /nfs/dbraw/zinc/11/85/98/1277118598.db2.gz GTLRASSWXKIQQX-LLVKDONJSA-N -2 3 366.385 0.713 20 0 FCADHL CN(c1ncccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579293523 1277118604 /nfs/dbraw/zinc/11/86/04/1277118604.db2.gz GTLRASSWXKIQQX-LLVKDONJSA-N -2 3 366.385 0.713 20 0 FCADHL CO[N-]C(=O)CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC001579849026 1277934158 /nfs/dbraw/zinc/93/41/58/1277934158.db2.gz VDVXPKXNJLOBRM-UHFFFAOYSA-N -2 3 372.341 0.446 20 0 FCADHL CO[N-]C(=O)CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC001579849026 1277934162 /nfs/dbraw/zinc/93/41/62/1277934162.db2.gz VDVXPKXNJLOBRM-UHFFFAOYSA-N -2 3 372.341 0.446 20 0 FCADHL Cc1[nH]nc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)c1-c1nnn[n-]1 ZINC001581138431 1279439985 /nfs/dbraw/zinc/43/99/85/1279439985.db2.gz YVBZYQJKUMTDMA-UHFFFAOYSA-N -2 3 365.357 0.938 20 0 FCADHL CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001603299435 1287350520 /nfs/dbraw/zinc/35/05/20/1287350520.db2.gz GXEJOMFDMODQJO-SNVBAGLBSA-N -2 3 353.404 0.733 20 0 FCADHL CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001603299435 1287350522 /nfs/dbraw/zinc/35/05/22/1287350522.db2.gz GXEJOMFDMODQJO-SNVBAGLBSA-N -2 3 353.404 0.733 20 0 FCADHL Cc1cnc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c([O-])c1 ZINC001581313758 1279662711 /nfs/dbraw/zinc/66/27/11/1279662711.db2.gz DTZBUPBOSPTXJL-UHFFFAOYSA-N -2 3 371.361 0.088 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581391310 1279821566 /nfs/dbraw/zinc/82/15/66/1279821566.db2.gz GIIQHBONECHEGX-MRVPVSSYSA-N -2 3 357.378 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)c1[O-] ZINC001581391826 1279823554 /nfs/dbraw/zinc/82/35/54/1279823554.db2.gz XZJZUMWXRFBMBU-JTQLQIEISA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)c1[O-] ZINC001581391826 1279823562 /nfs/dbraw/zinc/82/35/62/1279823562.db2.gz XZJZUMWXRFBMBU-JTQLQIEISA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nc2)C2CC2)c1[O-] ZINC001581391890 1279824298 /nfs/dbraw/zinc/82/42/98/1279824298.db2.gz OIEZWRDEIJKEBG-UHFFFAOYSA-N -2 3 369.389 0.398 20 0 FCADHL Cc1n[nH]c(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nc2)C2CC2)c1[O-] ZINC001581391890 1279824302 /nfs/dbraw/zinc/82/43/02/1279824302.db2.gz OIEZWRDEIJKEBG-UHFFFAOYSA-N -2 3 369.389 0.398 20 0 FCADHL Cc1n[nH]c(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CC2)c1[O-] ZINC001581392193 1279825056 /nfs/dbraw/zinc/82/50/56/1279825056.db2.gz ZKSSAAANTLYHIK-UHFFFAOYSA-N -2 3 355.362 0.373 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)c1[O-] ZINC001581392817 1279829556 /nfs/dbraw/zinc/82/95/56/1279829556.db2.gz SSCSKPKGNUUJTP-DTORHVGOSA-N -2 3 373.352 0.511 20 0 FCADHL C[C@H](CCCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001603473434 1287382234 /nfs/dbraw/zinc/38/22/34/1287382234.db2.gz ABAJPACZZIQCNN-SNVBAGLBSA-N -2 3 369.389 0.190 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609241471 1289015905 /nfs/dbraw/zinc/01/59/05/1289015905.db2.gz ZTHJWZFLQNEMHF-UHFFFAOYSA-N -2 3 365.415 0.381 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609241471 1289015911 /nfs/dbraw/zinc/01/59/11/1289015911.db2.gz ZTHJWZFLQNEMHF-UHFFFAOYSA-N -2 3 365.415 0.381 20 0 FCADHL Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C(C)C)n1 ZINC001581624906 1280274819 /nfs/dbraw/zinc/27/48/19/1280274819.db2.gz QVNJVMQVRKZTRL-JTQLQIEISA-N -2 3 353.364 0.827 20 0 FCADHL Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C(C)C)n1 ZINC001581624906 1280274826 /nfs/dbraw/zinc/27/48/26/1280274826.db2.gz QVNJVMQVRKZTRL-JTQLQIEISA-N -2 3 353.364 0.827 20 0 FCADHL O=C(CNC(=O)NC1CCCCC1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001582108676 1281061035 /nfs/dbraw/zinc/06/10/35/1281061035.db2.gz QYYFNAHPAWYBDK-UHFFFAOYSA-N -2 3 359.390 0.909 20 0 FCADHL O=C(CNC(=O)NC1CCCCC1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001582108676 1281061036 /nfs/dbraw/zinc/06/10/36/1281061036.db2.gz QYYFNAHPAWYBDK-UHFFFAOYSA-N -2 3 359.390 0.909 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603752809 1287487329 /nfs/dbraw/zinc/48/73/29/1287487329.db2.gz YTBQEYQSMJHGPO-CQSZACIVSA-N -2 3 351.388 0.636 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001603751399 1287487443 /nfs/dbraw/zinc/48/74/43/1287487443.db2.gz HDDUTMKETGSQQD-CYBMUJFWSA-N -2 3 355.351 0.634 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001603751399 1287487447 /nfs/dbraw/zinc/48/74/47/1287487447.db2.gz HDDUTMKETGSQQD-CYBMUJFWSA-N -2 3 355.351 0.634 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001603751417 1287487953 /nfs/dbraw/zinc/48/79/53/1287487953.db2.gz HKDLHLPBYRLQGF-AWEZNQCLSA-N -2 3 351.388 0.636 20 0 FCADHL O=C(NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ncccc1[O-] ZINC001582363543 1281415642 /nfs/dbraw/zinc/41/56/42/1281415642.db2.gz ROEGRBRGPLWXBY-NSHDSACASA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ncccc1[O-] ZINC001582363543 1281415645 /nfs/dbraw/zinc/41/56/45/1281415645.db2.gz ROEGRBRGPLWXBY-NSHDSACASA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)c1ncccc1[O-] ZINC001582378395 1281439989 /nfs/dbraw/zinc/43/99/89/1281439989.db2.gz YEYIVKFXVUHRAW-VIFPVBQESA-N -2 3 373.348 0.309 20 0 FCADHL O=C(NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)c1ncccc1[O-] ZINC001582378395 1281439991 /nfs/dbraw/zinc/43/99/91/1281439991.db2.gz YEYIVKFXVUHRAW-VIFPVBQESA-N -2 3 373.348 0.309 20 0 FCADHL O=C(NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ncccc1[O-] ZINC001582448190 1281548638 /nfs/dbraw/zinc/54/86/38/1281548638.db2.gz DCERZJKSTDQJOS-SNVBAGLBSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ncccc1[O-] ZINC001582448190 1281548646 /nfs/dbraw/zinc/54/86/46/1281548646.db2.gz DCERZJKSTDQJOS-SNVBAGLBSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC001603845776 1287515672 /nfs/dbraw/zinc/51/56/72/1287515672.db2.gz MGOZRMNPCXVTQP-OPQQBVKSSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC001603845776 1287515676 /nfs/dbraw/zinc/51/56/76/1287515676.db2.gz MGOZRMNPCXVTQP-OPQQBVKSSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)CC[C@H]1C(=O)[O-] ZINC001603912887 1287530316 /nfs/dbraw/zinc/53/03/16/1287530316.db2.gz LQVDWYUARSKJBL-JGVFFNPUSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)CC[C@H]1C(=O)[O-] ZINC001603912887 1287530322 /nfs/dbraw/zinc/53/03/22/1287530322.db2.gz LQVDWYUARSKJBL-JGVFFNPUSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@H]1CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1C(=O)[O-] ZINC001603920607 1287534479 /nfs/dbraw/zinc/53/44/79/1287534479.db2.gz KCDWLXXFMUTYEA-SMDDNHRTSA-N -2 3 374.401 0.998 20 0 FCADHL O=C(c1ncccc1[O-])N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001582751697 1281976746 /nfs/dbraw/zinc/97/67/46/1281976746.db2.gz SBGMNZKTZMSKBP-UHFFFAOYSA-N -2 3 367.373 0.110 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001582791248 1282008371 /nfs/dbraw/zinc/00/83/71/1282008371.db2.gz WNUPFUFWYAAOPI-UHFFFAOYSA-N -2 3 357.355 0.111 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001582791248 1282008380 /nfs/dbraw/zinc/00/83/80/1282008380.db2.gz WNUPFUFWYAAOPI-UHFFFAOYSA-N -2 3 357.355 0.111 20 0 FCADHL CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001609244834 1289016509 /nfs/dbraw/zinc/01/65/09/1289016509.db2.gz JSVCWDJLMKPOEP-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001609244834 1289016516 /nfs/dbraw/zinc/01/65/16/1289016516.db2.gz JSVCWDJLMKPOEP-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1cncc(-c2nnn[n-]2)n1 ZINC001604034424 1287556524 /nfs/dbraw/zinc/55/65/24/1287556524.db2.gz WGJWQGTZHQXCAF-QMMMGPOBSA-N -2 3 358.366 0.014 20 0 FCADHL C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cnc(Cl)cc1-c1nn[n-]n1 ZINC001588936276 1282732956 /nfs/dbraw/zinc/73/29/56/1282732956.db2.gz GGIMQKGUEBWYQX-ZCFIWIBFSA-N -2 3 359.799 0.134 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001589025143 1282774614 /nfs/dbraw/zinc/77/46/14/1282774614.db2.gz LSTQUHDJGQSHOJ-LURJTMIESA-N -2 3 373.341 0.486 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001589025143 1282774619 /nfs/dbraw/zinc/77/46/19/1282774619.db2.gz LSTQUHDJGQSHOJ-LURJTMIESA-N -2 3 373.341 0.486 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001589025288 1282775599 /nfs/dbraw/zinc/77/55/99/1282775599.db2.gz PRNFCUAVWQKKMY-SSDOTTSWSA-N -2 3 355.351 0.347 20 0 FCADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001604268665 1287596545 /nfs/dbraw/zinc/59/65/45/1287596545.db2.gz UONUUIKMBJIGMS-QMMMGPOBSA-N -2 3 357.367 0.880 20 0 FCADHL CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c(C)cc(F)cc1-c1nnn[n-]1 ZINC001604268543 1287596653 /nfs/dbraw/zinc/59/66/53/1287596653.db2.gz RGNMRSGIZYCRLO-MRVPVSSYSA-N -2 3 357.367 0.798 20 0 FCADHL CC(C)(C(=O)[O-])C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001589058861 1282786361 /nfs/dbraw/zinc/78/63/61/1282786361.db2.gz CHBALZGYEVWLAB-UHFFFAOYSA-N -2 3 350.404 0.688 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589418055 1282876906 /nfs/dbraw/zinc/87/69/06/1282876906.db2.gz MSEFKDOBNJINCJ-LDYMZIIASA-N -2 3 354.392 0.285 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589418055 1282876910 /nfs/dbraw/zinc/87/69/10/1282876910.db2.gz MSEFKDOBNJINCJ-LDYMZIIASA-N -2 3 354.392 0.285 20 0 FCADHL CC(C)[C@@H](F)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001589468427 1282888097 /nfs/dbraw/zinc/88/80/97/1282888097.db2.gz BAROTQIOECNIOG-LLVKDONJSA-N -2 3 359.358 0.946 20 0 FCADHL CC(C)[C@@H](F)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001589468427 1282888106 /nfs/dbraw/zinc/88/81/06/1282888106.db2.gz BAROTQIOECNIOG-LLVKDONJSA-N -2 3 359.358 0.946 20 0 FCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2c(-c3nnn[n-]3)cnn2C)c1 ZINC001589670979 1282934364 /nfs/dbraw/zinc/93/43/64/1282934364.db2.gz QQMWYGLGBFIILD-UHFFFAOYSA-N -2 3 351.396 0.254 20 0 FCADHL CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589778111 1282995696 /nfs/dbraw/zinc/99/56/96/1282995696.db2.gz UFNXXBANILFYFY-UHFFFAOYSA-N -2 3 374.386 0.294 20 0 FCADHL CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589778111 1282995707 /nfs/dbraw/zinc/99/57/07/1282995707.db2.gz UFNXXBANILFYFY-UHFFFAOYSA-N -2 3 374.386 0.294 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC001589785770 1283004941 /nfs/dbraw/zinc/00/49/41/1283004941.db2.gz YNHHUMFPGYESHE-UHFFFAOYSA-N -2 3 353.343 0.374 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC001589785770 1283004956 /nfs/dbraw/zinc/00/49/56/1283004956.db2.gz YNHHUMFPGYESHE-UHFFFAOYSA-N -2 3 353.343 0.374 20 0 FCADHL C[C@@H](CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)[O-] ZINC001589845203 1283077866 /nfs/dbraw/zinc/07/78/66/1283077866.db2.gz AAKNTGZGXGECEV-ZETCQYMHSA-N -2 3 359.795 0.861 20 0 FCADHL C[C@H](NC(=O)C(=O)[N-]OC1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589916780 1283129278 /nfs/dbraw/zinc/12/92/78/1283129278.db2.gz DYFJUDZKRDAKLI-JTQLQIEISA-N -2 3 360.374 0.271 20 0 FCADHL C[C@H](NC(=O)C(=O)[N-]OC1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589916780 1283129280 /nfs/dbraw/zinc/12/92/80/1283129280.db2.gz DYFJUDZKRDAKLI-JTQLQIEISA-N -2 3 360.374 0.271 20 0 FCADHL C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590016849 1283176938 /nfs/dbraw/zinc/17/69/38/1283176938.db2.gz JZURYLIHZNFFCM-SNVBAGLBSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590016849 1283176940 /nfs/dbraw/zinc/17/69/40/1283176940.db2.gz JZURYLIHZNFFCM-SNVBAGLBSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001590071387 1283201456 /nfs/dbraw/zinc/20/14/56/1283201456.db2.gz KZOOBEDSSPJJNQ-CQSZACIVSA-N -2 3 351.388 0.493 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590071387 1283201462 /nfs/dbraw/zinc/20/14/62/1283201462.db2.gz KZOOBEDSSPJJNQ-CQSZACIVSA-N -2 3 351.388 0.493 20 0 FCADHL CC1(C)CN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1C(=O)[O-] ZINC001590106460 1283218164 /nfs/dbraw/zinc/21/81/64/1283218164.db2.gz JHUBQFMJZQBYMM-NSHDSACASA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590165142 1283258367 /nfs/dbraw/zinc/25/83/67/1283258367.db2.gz JPZQGIAIZJVUQE-SKDRFNHKSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590165142 1283258373 /nfs/dbraw/zinc/25/83/73/1283258373.db2.gz JPZQGIAIZJVUQE-SKDRFNHKSA-N -2 3 351.388 0.492 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)O1 ZINC001590183691 1283288859 /nfs/dbraw/zinc/28/88/59/1283288859.db2.gz PUPUBEOFGFEYQN-BREBYQMCSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)O1 ZINC001590183691 1283288864 /nfs/dbraw/zinc/28/88/64/1283288864.db2.gz PUPUBEOFGFEYQN-BREBYQMCSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@H](C)O1 ZINC001590183270 1283289653 /nfs/dbraw/zinc/28/96/53/1283289653.db2.gz GHQIUAUZIDLILR-VDDIYKPWSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@H](C)O1 ZINC001590183270 1283289660 /nfs/dbraw/zinc/28/96/60/1283289660.db2.gz GHQIUAUZIDLILR-VDDIYKPWSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC001590186062 1283293260 /nfs/dbraw/zinc/29/32/60/1283293260.db2.gz REGUEBYBTAWRQI-MFKMUULPSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590186062 1283293265 /nfs/dbraw/zinc/29/32/65/1283293265.db2.gz REGUEBYBTAWRQI-MFKMUULPSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590225906 1283354472 /nfs/dbraw/zinc/35/44/72/1283354472.db2.gz GVCXBJCMJXYJGP-ONGXEEELSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590225906 1283354484 /nfs/dbraw/zinc/35/44/84/1283354484.db2.gz GVCXBJCMJXYJGP-ONGXEEELSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3c(-c4nnn[n-]4)cnn3C)cn21 ZINC001590266008 1283391050 /nfs/dbraw/zinc/39/10/50/1283391050.db2.gz IGVBBSADDRXSTE-QMMMGPOBSA-N -2 3 363.407 0.495 20 0 FCADHL C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590270931 1283399221 /nfs/dbraw/zinc/39/92/21/1283399221.db2.gz CJFAUIIYZVNZTC-GIPNMCIBSA-N -2 3 358.406 0.596 20 0 FCADHL C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001590274980 1283401439 /nfs/dbraw/zinc/40/14/39/1283401439.db2.gz UBBIASGYRWXTEP-KCJUWKMLSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001590274980 1283401441 /nfs/dbraw/zinc/40/14/41/1283401441.db2.gz UBBIASGYRWXTEP-KCJUWKMLSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1CC(=O)[O-] ZINC001590275954 1283402941 /nfs/dbraw/zinc/40/29/41/1283402941.db2.gz HQIGFHONLCFWQA-JQWIXIFHSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1CC(=O)[O-] ZINC001590275954 1283402947 /nfs/dbraw/zinc/40/29/47/1283402947.db2.gz HQIGFHONLCFWQA-JQWIXIFHSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@H]1CN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC[C@@H]1C(=O)[O-] ZINC001590309155 1283451517 /nfs/dbraw/zinc/45/15/17/1283451517.db2.gz KFUUXCZBQNJRLS-JQWIXIFHSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@H]1CN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC[C@@H]1C(=O)[O-] ZINC001590309155 1283451523 /nfs/dbraw/zinc/45/15/23/1283451523.db2.gz KFUUXCZBQNJRLS-JQWIXIFHSA-N -2 3 365.415 0.739 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)CC(=O)[O-] ZINC001590447217 1283544408 /nfs/dbraw/zinc/54/44/08/1283544408.db2.gz TZKZONMNGPWXGB-SNVBAGLBSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)CC(=O)[O-] ZINC001590447217 1283544418 /nfs/dbraw/zinc/54/44/18/1283544418.db2.gz TZKZONMNGPWXGB-SNVBAGLBSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001590489062 1283561545 /nfs/dbraw/zinc/56/15/45/1283561545.db2.gz FQXYCAHLOOVKOD-CQSZACIVSA-N -2 3 351.388 0.742 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001590489062 1283561556 /nfs/dbraw/zinc/56/15/56/1283561556.db2.gz FQXYCAHLOOVKOD-CQSZACIVSA-N -2 3 351.388 0.742 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001590500590 1283571271 /nfs/dbraw/zinc/57/12/71/1283571271.db2.gz SAWUWLXFHAXUBA-ZYHUDNBSSA-N -2 3 366.403 0.444 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001590500590 1283571276 /nfs/dbraw/zinc/57/12/76/1283571276.db2.gz SAWUWLXFHAXUBA-ZYHUDNBSSA-N -2 3 366.403 0.444 20 0 FCADHL CCC[C@H](OCC)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590561993 1283605663 /nfs/dbraw/zinc/60/56/63/1283605663.db2.gz RIALTUXQNAHGFA-NSHDSACASA-N -2 3 353.404 0.877 20 0 FCADHL CCC[C@H](OCC)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590561993 1283605687 /nfs/dbraw/zinc/60/56/87/1283605687.db2.gz RIALTUXQNAHGFA-NSHDSACASA-N -2 3 353.404 0.877 20 0 FCADHL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC001590561080 1283606218 /nfs/dbraw/zinc/60/62/18/1283606218.db2.gz VCKMXLKJVWFTGJ-BXKDBHETSA-N -2 3 369.403 0.068 20 0 FCADHL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC001590561080 1283606236 /nfs/dbraw/zinc/60/62/36/1283606236.db2.gz VCKMXLKJVWFTGJ-BXKDBHETSA-N -2 3 369.403 0.068 20 0 FCADHL CCCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001590611812 1283651393 /nfs/dbraw/zinc/65/13/93/1283651393.db2.gz PUBSIRAEMISNLZ-JTQLQIEISA-N -2 3 353.404 0.880 20 0 FCADHL CCCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001590611812 1283651401 /nfs/dbraw/zinc/65/14/01/1283651401.db2.gz PUBSIRAEMISNLZ-JTQLQIEISA-N -2 3 353.404 0.880 20 0 FCADHL CCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC)C(=O)[O-] ZINC001590653264 1283705727 /nfs/dbraw/zinc/70/57/27/1283705727.db2.gz BNHDCFQKBRZOIK-VIFPVBQESA-N -2 3 355.376 0.407 20 0 FCADHL CCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC)C(=O)[O-] ZINC001590653264 1283705735 /nfs/dbraw/zinc/70/57/35/1283705735.db2.gz BNHDCFQKBRZOIK-VIFPVBQESA-N -2 3 355.376 0.407 20 0 FCADHL CCO[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590783089 1283838768 /nfs/dbraw/zinc/83/87/68/1283838768.db2.gz YZHDVMYXIJBEKB-GFCCVEGCSA-N -2 3 353.404 0.628 20 0 FCADHL CCO[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590783089 1283838779 /nfs/dbraw/zinc/83/87/79/1283838779.db2.gz YZHDVMYXIJBEKB-GFCCVEGCSA-N -2 3 353.404 0.628 20 0 FCADHL CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590782954 1283840864 /nfs/dbraw/zinc/84/08/64/1283840864.db2.gz CBXIZAFZVJBJTR-LBPRGKRZSA-N -2 3 353.404 0.628 20 0 FCADHL CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590782954 1283840876 /nfs/dbraw/zinc/84/08/76/1283840876.db2.gz CBXIZAFZVJBJTR-LBPRGKRZSA-N -2 3 353.404 0.628 20 0 FCADHL CCOC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001590784865 1283840980 /nfs/dbraw/zinc/84/09/80/1283840980.db2.gz FZDRLTOVLOLTMA-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL CCOC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001590784865 1283840993 /nfs/dbraw/zinc/84/09/93/1283840993.db2.gz FZDRLTOVLOLTMA-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001590867958 1283938215 /nfs/dbraw/zinc/93/82/15/1283938215.db2.gz XBSWINAKADPKIT-UFBFGSQYSA-N -2 3 371.394 0.925 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001590867958 1283938224 /nfs/dbraw/zinc/93/82/24/1283938224.db2.gz XBSWINAKADPKIT-UFBFGSQYSA-N -2 3 371.394 0.925 20 0 FCADHL CC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001590869201 1283939044 /nfs/dbraw/zinc/93/90/44/1283939044.db2.gz SEQKYONIQBOLEU-LDYMZIIASA-N -2 3 353.379 0.998 20 0 FCADHL CC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001590869201 1283939050 /nfs/dbraw/zinc/93/90/50/1283939050.db2.gz SEQKYONIQBOLEU-LDYMZIIASA-N -2 3 353.379 0.998 20 0 FCADHL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)nc1 ZINC001591004700 1284068111 /nfs/dbraw/zinc/06/81/11/1284068111.db2.gz JMRZIUMSNRGOHR-UHFFFAOYSA-N -2 3 374.386 0.159 20 0 FCADHL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)nc1 ZINC001591004700 1284068117 /nfs/dbraw/zinc/06/81/17/1284068117.db2.gz JMRZIUMSNRGOHR-UHFFFAOYSA-N -2 3 374.386 0.159 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1ncccc1-c1nnn[n-]1 ZINC001591079474 1284148749 /nfs/dbraw/zinc/14/87/49/1284148749.db2.gz KSKPORWUFPNHIY-UHFFFAOYSA-N -2 3 354.374 0.619 20 0 FCADHL CN(CCCNC(=O)c1ncccc1[O-])c1ncccc1-c1nn[n-]n1 ZINC001591079474 1284148753 /nfs/dbraw/zinc/14/87/53/1284148753.db2.gz KSKPORWUFPNHIY-UHFFFAOYSA-N -2 3 354.374 0.619 20 0 FCADHL CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001591209174 1284338908 /nfs/dbraw/zinc/33/89/08/1284338908.db2.gz AAHPRAQATAQLMV-UHFFFAOYSA-N -2 3 372.410 0.956 20 0 FCADHL COC(=O)CCS(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001591265466 1284422854 /nfs/dbraw/zinc/42/28/54/1284422854.db2.gz QGDMKBJWVIGGCP-UHFFFAOYSA-N -2 3 369.403 0.959 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2-c2nnn[n-]2)s1 ZINC001591298702 1284452864 /nfs/dbraw/zinc/45/28/64/1284452864.db2.gz VUKACFFESDYFBU-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)s1 ZINC001591298702 1284452870 /nfs/dbraw/zinc/45/28/70/1284452870.db2.gz VUKACFFESDYFBU-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COC(=O)c1csc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC001591307402 1284458184 /nfs/dbraw/zinc/45/81/84/1284458184.db2.gz MFCCVVXULWPUNP-UHFFFAOYSA-N -2 3 355.361 0.239 20 0 FCADHL CO[C@](C)(C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C1CC1 ZINC001591313597 1284464613 /nfs/dbraw/zinc/46/46/13/1284464613.db2.gz CDDJFSMNLBNVND-HNNXBMFYSA-N -2 3 365.415 0.795 20 0 FCADHL CO[C@](C)(C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C1CC1 ZINC001591313597 1284464614 /nfs/dbraw/zinc/46/46/14/1284464614.db2.gz CDDJFSMNLBNVND-HNNXBMFYSA-N -2 3 365.415 0.795 20 0 FCADHL CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001591313845 1284464688 /nfs/dbraw/zinc/46/46/88/1284464688.db2.gz DOVCVWKMXFZMGL-CQSZACIVSA-N -2 3 366.403 0.067 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccn1)[C@@H]1CCOC1 ZINC001591333298 1284475875 /nfs/dbraw/zinc/47/58/75/1284475875.db2.gz ARTGROQPBAYKNF-GHMZBOCLSA-N -2 3 354.392 0.055 20 0 FCADHL CO[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001591347340 1284484597 /nfs/dbraw/zinc/48/45/97/1284484597.db2.gz FBCBARDONSHRQX-CHWSQXEVSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001591347340 1284484604 /nfs/dbraw/zinc/48/46/04/1284484604.db2.gz FBCBARDONSHRQX-CHWSQXEVSA-N -2 3 365.415 0.628 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC001591451396 1284612847 /nfs/dbraw/zinc/61/28/47/1284612847.db2.gz OZDNZLIWKWBFQC-UHFFFAOYSA-N -2 3 367.366 0.650 20 0 FCADHL COCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)n1 ZINC001591451396 1284612859 /nfs/dbraw/zinc/61/28/59/1284612859.db2.gz OZDNZLIWKWBFQC-UHFFFAOYSA-N -2 3 367.366 0.650 20 0 FCADHL COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001591456342 1284618583 /nfs/dbraw/zinc/61/85/83/1284618583.db2.gz KLHBDIHAYREJMD-UHFFFAOYSA-N -2 3 363.355 0.725 20 0 FCADHL COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001591456342 1284618592 /nfs/dbraw/zinc/61/85/92/1284618592.db2.gz KLHBDIHAYREJMD-UHFFFAOYSA-N -2 3 363.355 0.725 20 0 FCADHL CO[N-]C(=O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001591466664 1284637271 /nfs/dbraw/zinc/63/72/71/1284637271.db2.gz YAUVBECDDUWGFS-UHFFFAOYSA-N -2 3 363.403 0.268 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC001591505888 1284690902 /nfs/dbraw/zinc/69/09/02/1284690902.db2.gz LWQHLQHDNZLHGN-PELKAZGASA-N -2 3 367.387 0.359 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC001591505888 1284690911 /nfs/dbraw/zinc/69/09/11/1284690911.db2.gz LWQHLQHDNZLHGN-PELKAZGASA-N -2 3 367.387 0.359 20 0 FCADHL COc1cc(CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001591530413 1284718860 /nfs/dbraw/zinc/71/88/60/1284718860.db2.gz STDGZJVSRPDSHU-MRXNPFEDSA-N -2 3 360.374 0.882 20 0 FCADHL COc1cc(CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001591530413 1284718871 /nfs/dbraw/zinc/71/88/71/1284718871.db2.gz STDGZJVSRPDSHU-MRXNPFEDSA-N -2 3 360.374 0.882 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC001591568789 1284742970 /nfs/dbraw/zinc/74/29/70/1284742970.db2.gz LFFBQCGWECSGCT-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001591654725 1284783365 /nfs/dbraw/zinc/78/33/65/1284783365.db2.gz XJTKVICFABBOLE-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001591654725 1284783373 /nfs/dbraw/zinc/78/33/73/1284783373.db2.gz XJTKVICFABBOLE-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL CSCC[C@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(=O)[O-] ZINC001591698919 1284840414 /nfs/dbraw/zinc/84/04/14/1284840414.db2.gz CBAJOFOVEUQYLP-JTQLQIEISA-N -2 3 371.444 0.660 20 0 FCADHL CC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001609249106 1289018180 /nfs/dbraw/zinc/01/81/80/1289018180.db2.gz TYGDGROLQAQSJK-PSASIEDQSA-N -2 3 351.388 0.726 20 0 FCADHL CC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001609249106 1289018179 /nfs/dbraw/zinc/01/81/79/1289018179.db2.gz TYGDGROLQAQSJK-PSASIEDQSA-N -2 3 351.388 0.726 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cccc1-c1nnn[n-]1 ZINC001591809443 1284920425 /nfs/dbraw/zinc/92/04/25/1284920425.db2.gz CGOMVAKOVWTODY-SNVBAGLBSA-N -2 3 351.388 0.271 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cccc1-c1nn[n-]n1 ZINC001591809443 1284920435 /nfs/dbraw/zinc/92/04/35/1284920435.db2.gz CGOMVAKOVWTODY-SNVBAGLBSA-N -2 3 351.388 0.271 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001591869934 1284957467 /nfs/dbraw/zinc/95/74/67/1284957467.db2.gz CYEDKVSQZMJUDC-LLVKDONJSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001591869934 1284957469 /nfs/dbraw/zinc/95/74/69/1284957469.db2.gz CYEDKVSQZMJUDC-LLVKDONJSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCC[C@H](C)C(=O)[O-] ZINC001591871820 1284959432 /nfs/dbraw/zinc/95/94/32/1284959432.db2.gz AQLUZCYLLOKNII-VIFPVBQESA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCC[C@H](C)C(=O)[O-] ZINC001591871820 1284959439 /nfs/dbraw/zinc/95/94/39/1284959439.db2.gz AQLUZCYLLOKNII-VIFPVBQESA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(NCC=CCNC(=O)c2ncccc2[O-])n1 ZINC001591896615 1284985671 /nfs/dbraw/zinc/98/56/71/1284985671.db2.gz ODPSCWGMAMIJBR-IHWYPQMZSA-N -2 3 367.373 0.464 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(NCC=CCNC(=O)c2ncccc2[O-])n1 ZINC001591896615 1284985677 /nfs/dbraw/zinc/98/56/77/1284985677.db2.gz ODPSCWGMAMIJBR-IHWYPQMZSA-N -2 3 367.373 0.464 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ncn2)ccc1-c1nnn[n-]1 ZINC001592064213 1285102539 /nfs/dbraw/zinc/10/25/39/1285102539.db2.gz AADLTPMURVCOEC-UHFFFAOYSA-N -2 3 360.403 0.832 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ncn2)ccc1-c1nn[n-]n1 ZINC001592064213 1285102548 /nfs/dbraw/zinc/10/25/48/1285102548.db2.gz AADLTPMURVCOEC-UHFFFAOYSA-N -2 3 360.403 0.832 20 0 FCADHL Cc1cc(S(=O)(=O)NCCSCC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592065988 1285105115 /nfs/dbraw/zinc/10/51/15/1285105115.db2.gz QZNLHSYKTQYBFE-UHFFFAOYSA-N -2 3 357.417 0.271 20 0 FCADHL Cc1cc(S(=O)(=O)NCCSCC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592065988 1285105123 /nfs/dbraw/zinc/10/51/23/1285105123.db2.gz QZNLHSYKTQYBFE-UHFFFAOYSA-N -2 3 357.417 0.271 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(=O)[nH]1 ZINC001592127974 1285156503 /nfs/dbraw/zinc/15/65/03/1285156503.db2.gz DNNSPZBSVIHGAY-UHFFFAOYSA-N -2 3 360.355 0.394 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]1 ZINC001592127974 1285156510 /nfs/dbraw/zinc/15/65/10/1285156510.db2.gz DNNSPZBSVIHGAY-UHFFFAOYSA-N -2 3 360.355 0.394 20 0 FCADHL Cc1[nH]nc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1-c1nnn[n-]1 ZINC001592331871 1285238684 /nfs/dbraw/zinc/23/86/84/1285238684.db2.gz OXAKPOHUMDNJRA-UHFFFAOYSA-N -2 3 371.386 0.885 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592411606 1285326808 /nfs/dbraw/zinc/32/68/08/1285326808.db2.gz FMTVCLQHJIVKME-OIBJUYFYSA-N -2 3 370.416 0.107 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592411606 1285326818 /nfs/dbraw/zinc/32/68/18/1285326818.db2.gz FMTVCLQHJIVKME-OIBJUYFYSA-N -2 3 370.416 0.107 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1-c1nnn[n-]1 ZINC001592412295 1285327934 /nfs/dbraw/zinc/32/79/34/1285327934.db2.gz HIPHYIZQNKJVKE-ZDUSSCGKSA-N -2 3 352.376 0.055 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001592412295 1285327943 /nfs/dbraw/zinc/32/79/43/1285327943.db2.gz HIPHYIZQNKJVKE-ZDUSSCGKSA-N -2 3 352.376 0.055 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592413123 1285328493 /nfs/dbraw/zinc/32/84/93/1285328493.db2.gz OGJWQWMVAFQBLQ-RDDDGLTNSA-N -2 3 352.376 0.196 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592413123 1285328500 /nfs/dbraw/zinc/32/85/00/1285328500.db2.gz OGJWQWMVAFQBLQ-RDDDGLTNSA-N -2 3 352.376 0.196 20 0 FCADHL NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001592731851 1285640538 /nfs/dbraw/zinc/64/05/38/1285640538.db2.gz RIRJHRIGOGRTOI-UHFFFAOYSA-N -2 3 373.398 0.836 20 0 FCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1ncc(Br)cc1[O-] ZINC001592753203 1285675741 /nfs/dbraw/zinc/67/57/41/1285675741.db2.gz SDPHZSWWFGITHT-UHFFFAOYSA-N -2 3 351.124 0.197 20 0 FCADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ncc(Br)cc1[O-] ZINC001592753203 1285675747 /nfs/dbraw/zinc/67/57/47/1285675747.db2.gz SDPHZSWWFGITHT-UHFFFAOYSA-N -2 3 351.124 0.197 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001609260158 1289025800 /nfs/dbraw/zinc/02/58/00/1289025800.db2.gz KMGAQGJMDANLGJ-UHFFFAOYSA-N -2 3 361.347 0.420 20 0 FCADHL O=C(COC1CCCCC1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592885385 1285792201 /nfs/dbraw/zinc/79/22/01/1285792201.db2.gz ORANMRUGWRMHKD-UHFFFAOYSA-N -2 3 366.403 0.416 20 0 FCADHL O=C(COC1CCCCC1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592885385 1285792208 /nfs/dbraw/zinc/79/22/08/1285792208.db2.gz ORANMRUGWRMHKD-UHFFFAOYSA-N -2 3 366.403 0.416 20 0 FCADHL O=C(Cn1cc(-c2nnn[n-]2)cn1)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC001592955967 1285843211 /nfs/dbraw/zinc/84/32/11/1285843211.db2.gz YWNPTLGUWUEEKU-UHFFFAOYSA-N -2 3 357.296 0.624 20 0 FCADHL O=C(Cn1cc(-c2nn[n-]n2)cn1)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC001592955967 1285843216 /nfs/dbraw/zinc/84/32/16/1285843216.db2.gz YWNPTLGUWUEEKU-UHFFFAOYSA-N -2 3 357.296 0.624 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1(F)CCOCC1 ZINC001593172732 1286026654 /nfs/dbraw/zinc/02/66/54/1286026654.db2.gz OLPRJSPDKMHZSS-UHFFFAOYSA-N -2 3 369.378 0.331 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1(F)CCOCC1 ZINC001593172732 1286026657 /nfs/dbraw/zinc/02/66/57/1286026657.db2.gz OLPRJSPDKMHZSS-UHFFFAOYSA-N -2 3 369.378 0.331 20 0 FCADHL O=C([O-])C1CCC(NS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001593273390 1286056996 /nfs/dbraw/zinc/05/69/96/1286056996.db2.gz GKZOWGBGWUEYMI-UHFFFAOYSA-N -2 3 365.415 0.930 20 0 FCADHL O=C([O-])C1CCC(NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001593273390 1286056999 /nfs/dbraw/zinc/05/69/99/1286056999.db2.gz GKZOWGBGWUEYMI-UHFFFAOYSA-N -2 3 365.415 0.930 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001593273394 1286057471 /nfs/dbraw/zinc/05/74/71/1286057471.db2.gz GMFVNLVEMZQDLA-LLVKDONJSA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593273394 1286057473 /nfs/dbraw/zinc/05/74/73/1286057473.db2.gz GMFVNLVEMZQDLA-LLVKDONJSA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC001593275363 1286058301 /nfs/dbraw/zinc/05/83/01/1286058301.db2.gz BAHASPMCUCKGQT-LLVKDONJSA-N -2 3 366.765 0.515 20 0 FCADHL O=C([O-])[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC001593275363 1286058304 /nfs/dbraw/zinc/05/83/04/1286058304.db2.gz BAHASPMCUCKGQT-LLVKDONJSA-N -2 3 366.765 0.515 20 0 FCADHL O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001593275174 1286058614 /nfs/dbraw/zinc/05/86/14/1286058614.db2.gz UHTPIWSMHZLDPY-QMMMGPOBSA-N -2 3 355.351 0.491 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001593276101 1286059709 /nfs/dbraw/zinc/05/97/09/1286059709.db2.gz LJOHKYRSYWVYBJ-UHFFFAOYSA-N -2 3 357.779 0.663 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001593276101 1286059711 /nfs/dbraw/zinc/05/97/11/1286059711.db2.gz LJOHKYRSYWVYBJ-UHFFFAOYSA-N -2 3 357.779 0.663 20 0 FCADHL O=C([O-])[C@H](CC1CCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593275636 1286059736 /nfs/dbraw/zinc/05/97/36/1286059736.db2.gz GYQCDVNHVQQPMN-QMMMGPOBSA-N -2 3 357.417 0.850 20 0 FCADHL O=C([O-])[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cc1Br ZINC001593276550 1286059805 /nfs/dbraw/zinc/05/98/05/1286059805.db2.gz MXOCMSHUMPGRMJ-JTQLQIEISA-N -2 3 354.164 0.919 20 0 FCADHL O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CO1 ZINC001593278182 1286060362 /nfs/dbraw/zinc/06/03/62/1286060362.db2.gz UMRAUKWMSXIFRZ-RBSFLKMASA-N -2 3 371.397 0.720 20 0 FCADHL O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CO1 ZINC001593278182 1286060365 /nfs/dbraw/zinc/06/03/65/1286060365.db2.gz UMRAUKWMSXIFRZ-RBSFLKMASA-N -2 3 371.397 0.720 20 0 FCADHL O=C([O-])C[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001593276949 1286060596 /nfs/dbraw/zinc/06/05/96/1286060596.db2.gz SGOCNFARFAKJRL-LBPRGKRZSA-N -2 3 351.388 0.539 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001593279222 1286062109 /nfs/dbraw/zinc/06/21/09/1286062109.db2.gz XWSZCMWSSXEZEU-SNVBAGLBSA-N -2 3 373.341 0.773 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593279222 1286062110 /nfs/dbraw/zinc/06/21/10/1286062110.db2.gz XWSZCMWSSXEZEU-SNVBAGLBSA-N -2 3 373.341 0.773 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(c1ccc3cc(-c4nnn[n-]4)ccc3n1)C2 ZINC001593279057 1286062175 /nfs/dbraw/zinc/06/21/75/1286062175.db2.gz OPMHQBPXHWCOCP-SJKOYZFVSA-N -2 3 352.354 0.952 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(c1ccc3cc(-c4nn[n-]n4)ccc3n1)C2 ZINC001593279057 1286062176 /nfs/dbraw/zinc/06/21/76/1286062176.db2.gz OPMHQBPXHWCOCP-SJKOYZFVSA-N -2 3 352.354 0.952 20 0 FCADHL O=C([O-])c1ccc(CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC001593283144 1286064538 /nfs/dbraw/zinc/06/45/38/1286064538.db2.gz LZYQSKDOAQEFNP-UHFFFAOYSA-N -2 3 363.355 0.778 20 0 FCADHL O=C([O-])c1ccc(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC001593283144 1286064541 /nfs/dbraw/zinc/06/45/41/1286064541.db2.gz LZYQSKDOAQEFNP-UHFFFAOYSA-N -2 3 363.355 0.778 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001593372981 1286095141 /nfs/dbraw/zinc/09/51/41/1286095141.db2.gz WQKYQZBQFYZNOZ-LLVKDONJSA-N -2 3 366.385 0.937 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001593372981 1286095145 /nfs/dbraw/zinc/09/51/45/1286095145.db2.gz WQKYQZBQFYZNOZ-LLVKDONJSA-N -2 3 366.385 0.937 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001593382187 1286101916 /nfs/dbraw/zinc/10/19/16/1286101916.db2.gz VWHXLMILUFLDLZ-MELADBBJSA-N -2 3 356.386 0.972 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001593382187 1286101923 /nfs/dbraw/zinc/10/19/23/1286101923.db2.gz VWHXLMILUFLDLZ-MELADBBJSA-N -2 3 356.386 0.972 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001593382189 1286102289 /nfs/dbraw/zinc/10/22/89/1286102289.db2.gz VWHXLMILUFLDLZ-RDBSUJKOSA-N -2 3 356.386 0.972 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001593382189 1286102296 /nfs/dbraw/zinc/10/22/96/1286102296.db2.gz VWHXLMILUFLDLZ-RDBSUJKOSA-N -2 3 356.386 0.972 20 0 FCADHL O=c1cc(-c2cccc(-c3nn[n-]n3)c2)[n-]n1C1CCS(=O)(=O)CC1 ZINC001593383577 1286103874 /nfs/dbraw/zinc/10/38/74/1286103874.db2.gz AALCHJKUQIMKTP-UHFFFAOYSA-N -2 3 360.399 0.380 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001593414129 1286137813 /nfs/dbraw/zinc/13/78/13/1286137813.db2.gz IMZVSUJOOUZHMI-UHFFFAOYSA-N -2 3 357.355 0.111 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001593414129 1286137816 /nfs/dbraw/zinc/13/78/16/1286137816.db2.gz IMZVSUJOOUZHMI-UHFFFAOYSA-N -2 3 357.355 0.111 20 0 FCADHL O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)[N-][C@@H](CCO)C(F)(F)F ZINC001593424323 1286147141 /nfs/dbraw/zinc/14/71/41/1286147141.db2.gz ZCLHAQBLJNOFCU-JTQLQIEISA-N -2 3 365.337 0.599 20 0 FCADHL O=S(=O)([N-][C@H]1CC12CCOCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593433319 1286154713 /nfs/dbraw/zinc/15/47/13/1286154713.db2.gz CJXYPJXNAXWQFQ-NSHDSACASA-N -2 3 371.369 0.992 20 0 FCADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccn1)c1ccc(-n2cnnn2)cc1 ZINC001593444685 1286158861 /nfs/dbraw/zinc/15/88/61/1286158861.db2.gz AKNPPABFXCQYAG-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccn1)c1ccc(-n2cnnn2)cc1 ZINC001593444685 1286158866 /nfs/dbraw/zinc/15/88/66/1286158866.db2.gz AKNPPABFXCQYAG-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=c1[n-]c(CCCNc2cc(Br)cnc2-c2nnn[n-]2)n[nH]1 ZINC001593497741 1286181042 /nfs/dbraw/zinc/18/10/42/1286181042.db2.gz KSLLQBBPUNPZQO-UHFFFAOYSA-N -2 3 366.183 0.893 20 0 FCADHL COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609292739 1289060306 /nfs/dbraw/zinc/06/03/06/1289060306.db2.gz VGSXOQXSXUGLGR-RNFRBKRXSA-N -2 3 373.416 0.185 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCCCCC1 ZINC001598724463 1286400747 /nfs/dbraw/zinc/40/07/47/1286400747.db2.gz NQYMDXFGAWGLEL-UHFFFAOYSA-N -2 3 359.404 0.961 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)N(C)C)O2)oc1C(=O)[O-] ZINC001600299564 1286472630 /nfs/dbraw/zinc/47/26/30/1286472630.db2.gz ZVEYQKBBCWREGB-NXEZZACHSA-N -2 3 360.388 0.200 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCCOC2)c1C(=O)[O-] ZINC001600672312 1286522707 /nfs/dbraw/zinc/52/27/07/1286522707.db2.gz CGRLQTPRKRDVRA-CQSZACIVSA-N -2 3 361.420 0.262 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C(C)(C)C(=O)NCC2CCCC2)c1C(=O)[O-] ZINC001600672933 1286523633 /nfs/dbraw/zinc/52/36/33/1286523633.db2.gz LLSSMEPJCOLBBZ-UHFFFAOYSA-N -2 3 372.447 0.780 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](C(C)C)N2CCOCC2)c1C(=O)[O-] ZINC001600673124 1286523947 /nfs/dbraw/zinc/52/39/47/1286523947.db2.gz NQAIVOCZPIMSKU-LLVKDONJSA-N -2 3 360.436 0.051 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@@H]2O)c1C(=O)[O-] ZINC001600673082 1286523955 /nfs/dbraw/zinc/52/39/55/1286523955.db2.gz MSQMGFKPCWEOOR-SKDRFNHKSA-N -2 3 353.356 0.189 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1C(=O)[O-] ZINC001600673078 1286524246 /nfs/dbraw/zinc/52/42/46/1286524246.db2.gz MOFDXSFVEYHCMS-VIFPVBQESA-N -2 3 358.420 0.342 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC[C@H](O)C(=O)[O-] ZINC001600680206 1286526459 /nfs/dbraw/zinc/52/64/59/1286526459.db2.gz GAHGFIWGXVSXOI-ZDUSSCGKSA-N -2 3 360.370 0.025 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCC2)cc1C(=O)[O-] ZINC001600858407 1286559066 /nfs/dbraw/zinc/55/90/66/1286559066.db2.gz WJDMWXVTFGCLBK-UHFFFAOYSA-N -2 3 351.402 0.532 20 0 FCADHL Cn1cc(N2CC[C@H]([N-]S(=O)(=O)[C@H]3CCCC[C@H]3C(=O)[O-])C2=O)cn1 ZINC001600958734 1286580567 /nfs/dbraw/zinc/58/05/67/1286580567.db2.gz ODRICAHITDZSDF-AGIUHOORSA-N -2 3 370.431 0.088 20 0 FCADHL Cn1ccnc1N1CCC([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001600986909 1286591028 /nfs/dbraw/zinc/59/10/28/1286591028.db2.gz RBMGBARGYNJUMJ-UHFFFAOYSA-N -2 3 354.388 0.659 20 0 FCADHL Cn1[n-]c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1=O ZINC001601011457 1286598911 /nfs/dbraw/zinc/59/89/11/1286598911.db2.gz GWKONJXUDDVAEQ-GOSISDBHSA-N -2 3 358.398 0.975 20 0 FCADHL COCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609320919 1289092513 /nfs/dbraw/zinc/09/25/13/1289092513.db2.gz HCGDDJQLPQITGC-UHFFFAOYSA-N -2 3 353.404 0.734 20 0 FCADHL COCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609320919 1289092519 /nfs/dbraw/zinc/09/25/19/1289092519.db2.gz HCGDDJQLPQITGC-UHFFFAOYSA-N -2 3 353.404 0.734 20 0 FCADHL NC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])c1ccccc1 ZINC001601138291 1286646159 /nfs/dbraw/zinc/64/61/59/1286646159.db2.gz BTZBYGLIBKQKBE-LLVKDONJSA-N -2 3 369.786 0.938 20 0 FCADHL NC(=O)c1cccc(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001601168269 1286671409 /nfs/dbraw/zinc/67/14/09/1286671409.db2.gz WNAZROVRKBKEBJ-UHFFFAOYSA-N -2 3 355.397 0.461 20 0 FCADHL O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1ccccc1[O-])CCS2(=O)=O ZINC001601443079 1286749985 /nfs/dbraw/zinc/74/99/85/1286749985.db2.gz CPSLTECQRUAVPE-NOEPWBJOSA-N -2 3 353.396 0.933 20 0 FCADHL O=C([O-])[C@H](CNC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccccc1 ZINC001601455513 1286755231 /nfs/dbraw/zinc/75/52/31/1286755231.db2.gz NEZNTUHRRBCQFA-LLVKDONJSA-N -2 3 358.358 0.687 20 0 FCADHL O=C([O-])[C@@H]1CC12CCN(C(=O)N[C@@H]1CCN(c3cc(=O)[n-]cn3)C1)CC2 ZINC001601771148 1286832010 /nfs/dbraw/zinc/83/20/10/1286832010.db2.gz FQBMTCRCGLGKDH-NEPJUHHUSA-N -2 3 361.402 0.657 20 0 FCADHL O=C([O-])CC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001601888423 1286861974 /nfs/dbraw/zinc/86/19/74/1286861974.db2.gz IXYDYLRUNHRLTI-UHFFFAOYSA-N -2 3 355.199 0.863 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC001609338728 1289108995 /nfs/dbraw/zinc/10/89/95/1289108995.db2.gz OKAOLKISLOPVAM-QMMMGPOBSA-N -2 3 371.400 0.024 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC001609338728 1289108999 /nfs/dbraw/zinc/10/89/99/1289108999.db2.gz OKAOLKISLOPVAM-QMMMGPOBSA-N -2 3 371.400 0.024 20 0 FCADHL O=C([O-])CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC001602063373 1286917643 /nfs/dbraw/zinc/91/76/43/1286917643.db2.gz RKHPAGUBLYZROL-AWEZNQCLSA-N -2 3 361.398 0.226 20 0 FCADHL O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC001602066241 1286921568 /nfs/dbraw/zinc/92/15/68/1286921568.db2.gz MJNCSXXWCGPFHO-NSHDSACASA-N -2 3 371.187 0.960 20 0 FCADHL O=C([O-])CSCCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001602100517 1286936964 /nfs/dbraw/zinc/93/69/64/1286936964.db2.gz VIAAUKMOGOUCJW-VIFPVBQESA-N -2 3 371.381 0.904 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c1F ZINC001602263981 1286977212 /nfs/dbraw/zinc/97/72/12/1286977212.db2.gz BOSAHUHOHSXLOR-ZETCQYMHSA-N -3 3 355.727 0.291 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)o1 ZINC001602396924 1286996863 /nfs/dbraw/zinc/99/68/63/1286996863.db2.gz FCTRXHYNWAYKIM-MRVPVSSYSA-N -2 3 354.344 0.031 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC001602506709 1287018757 /nfs/dbraw/zinc/01/87/57/1287018757.db2.gz MXKPPDITFPDCKE-SECBINFHSA-N -2 3 372.353 0.943 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1nnc2ccc(Cl)cn21 ZINC001602507251 1287019120 /nfs/dbraw/zinc/01/91/20/1287019120.db2.gz UHRDVVFRKAYAQH-UHFFFAOYSA-N -2 3 356.751 0.283 20 0 FCADHL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001603048816 1287197013 /nfs/dbraw/zinc/19/70/13/1287197013.db2.gz SOZVXENNRSMAAB-UHFFFAOYSA-N -3 3 371.350 0.063 20 0 FCADHL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001603048816 1287197015 /nfs/dbraw/zinc/19/70/15/1287197015.db2.gz SOZVXENNRSMAAB-UHFFFAOYSA-N -3 3 371.350 0.063 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C)c(-c2nn[n-]n2)cn1)[C@H]1CCOC1 ZINC001605013529 1287837048 /nfs/dbraw/zinc/83/70/48/1287837048.db2.gz ZQYRVYDBQOOJKH-JQWIXIFHSA-N -2 3 368.419 0.363 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001605036089 1287844612 /nfs/dbraw/zinc/84/46/12/1287844612.db2.gz DSIOHEXEMFOGNL-IINYFYTJSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001605036089 1287844616 /nfs/dbraw/zinc/84/46/16/1287844616.db2.gz DSIOHEXEMFOGNL-IINYFYTJSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001605036091 1287845035 /nfs/dbraw/zinc/84/50/35/1287845035.db2.gz DSIOHEXEMFOGNL-QMTHXVAHSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001605036091 1287845040 /nfs/dbraw/zinc/84/50/40/1287845040.db2.gz DSIOHEXEMFOGNL-QMTHXVAHSA-N -2 3 367.387 0.119 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001605045095 1287852940 /nfs/dbraw/zinc/85/29/40/1287852940.db2.gz VYZGECYMZBOWIC-UITAMQMPSA-N -2 3 369.378 0.545 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001605045095 1287852947 /nfs/dbraw/zinc/85/29/47/1287852947.db2.gz VYZGECYMZBOWIC-UITAMQMPSA-N -2 3 369.378 0.545 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CCC1 ZINC001605079879 1287872749 /nfs/dbraw/zinc/87/27/49/1287872749.db2.gz OCIUNKNLAOGGNG-UHFFFAOYSA-N -2 3 366.403 0.273 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CCC1 ZINC001605079879 1287872751 /nfs/dbraw/zinc/87/27/51/1287872751.db2.gz OCIUNKNLAOGGNG-UHFFFAOYSA-N -2 3 366.403 0.273 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)C(=O)[N-]OC/C=C/Cl ZINC001605169573 1287900059 /nfs/dbraw/zinc/90/00/59/1287900059.db2.gz LODVZDWLJGTRMS-GORDUTHDSA-N -2 3 352.738 0.614 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)C(=O)[N-]OC/C=C/Cl ZINC001605169573 1287900062 /nfs/dbraw/zinc/90/00/62/1287900062.db2.gz LODVZDWLJGTRMS-GORDUTHDSA-N -2 3 352.738 0.614 20 0 FCADHL COc1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)cc1-c1nnn[n-]1 ZINC001605278697 1287919661 /nfs/dbraw/zinc/91/96/61/1287919661.db2.gz YORVMRWLQMYMIM-UHFFFAOYSA-N -2 3 362.375 0.108 20 0 FCADHL COc1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)cc1-c1nn[n-]n1 ZINC001605278697 1287919665 /nfs/dbraw/zinc/91/96/65/1287919665.db2.gz YORVMRWLQMYMIM-UHFFFAOYSA-N -2 3 362.375 0.108 20 0 FCADHL CSc1nc(=O)n(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)[n-]1 ZINC001605392744 1287948998 /nfs/dbraw/zinc/94/89/98/1287948998.db2.gz PCOBSITZTPWURJ-UHFFFAOYSA-N -2 3 357.359 0.572 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC001609416947 1289143808 /nfs/dbraw/zinc/14/38/08/1289143808.db2.gz YNKOVAJSHIFHFE-ONGXEEELSA-N -2 3 351.388 0.801 20 0 FCADHL CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cccnc1C(=O)[O-])C(F)(F)F ZINC001605534002 1287992417 /nfs/dbraw/zinc/99/24/17/1287992417.db2.gz TXMLCNRDFZCFQQ-MRVPVSSYSA-N -2 3 370.305 0.942 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)ncc1-c1nnn[n-]1 ZINC001605622622 1288039877 /nfs/dbraw/zinc/03/98/77/1288039877.db2.gz ZNISHAYLOSVRDU-VIFPVBQESA-N -2 3 366.403 0.197 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)ncc1-c1nn[n-]n1 ZINC001605622622 1288039880 /nfs/dbraw/zinc/03/98/80/1288039880.db2.gz ZNISHAYLOSVRDU-VIFPVBQESA-N -2 3 366.403 0.197 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC001605679044 1288049133 /nfs/dbraw/zinc/04/91/33/1288049133.db2.gz NLHXIQUZMBMFMG-SECBINFHSA-N -2 3 369.378 0.800 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC001605679128 1288049706 /nfs/dbraw/zinc/04/97/06/1288049706.db2.gz REIMWHLXJYPMME-WRWORJQWSA-N -2 3 369.378 0.798 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC001605679126 1288049863 /nfs/dbraw/zinc/04/98/63/1288049863.db2.gz REIMWHLXJYPMME-HQJQHLMTSA-N -2 3 369.378 0.798 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001605801927 1288090473 /nfs/dbraw/zinc/09/04/73/1288090473.db2.gz MQUYPNGECPUGEN-GXSJLCMTSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001605801927 1288090475 /nfs/dbraw/zinc/09/04/75/1288090475.db2.gz MQUYPNGECPUGEN-GXSJLCMTSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001605838030 1288097368 /nfs/dbraw/zinc/09/73/68/1288097368.db2.gz BUQXXDVNSBAYQW-UHFFFAOYSA-N -2 3 372.410 0.759 20 0 FCADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001605838030 1288097373 /nfs/dbraw/zinc/09/73/73/1288097373.db2.gz BUQXXDVNSBAYQW-UHFFFAOYSA-N -2 3 372.410 0.759 20 0 FCADHL Cc1cnc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c([O-])c1 ZINC001605974449 1288116298 /nfs/dbraw/zinc/11/62/98/1288116298.db2.gz ORUGQWCFRVHTMS-UHFFFAOYSA-N -2 3 357.378 0.286 20 0 FCADHL Cc1cnc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c([O-])c1 ZINC001605974449 1288116309 /nfs/dbraw/zinc/11/63/09/1288116309.db2.gz ORUGQWCFRVHTMS-UHFFFAOYSA-N -2 3 357.378 0.286 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cccc3c2CNC3=O)cc1-c1nnn[n-]1 ZINC001609456283 1289160834 /nfs/dbraw/zinc/16/08/34/1289160834.db2.gz JOXPLFTZMXTZDO-UHFFFAOYSA-N -2 3 371.382 0.614 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cccc3c2CNC3=O)cc1-c1nn[n-]n1 ZINC001609456283 1289160837 /nfs/dbraw/zinc/16/08/37/1289160837.db2.gz JOXPLFTZMXTZDO-UHFFFAOYSA-N -2 3 371.382 0.614 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1-c1nnn[n-]1 ZINC001609456095 1289161431 /nfs/dbraw/zinc/16/14/31/1289161431.db2.gz ATGFZDXUVUOSGB-LLVKDONJSA-N -2 3 368.419 0.738 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1-c1nn[n-]n1 ZINC001609456095 1289161435 /nfs/dbraw/zinc/16/14/35/1289161435.db2.gz ATGFZDXUVUOSGB-LLVKDONJSA-N -2 3 368.419 0.738 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1-c1nnn[n-]1 ZINC001609456426 1289161506 /nfs/dbraw/zinc/16/15/06/1289161506.db2.gz PITFSWZGQAVSDF-DTWKUNHWSA-N -2 3 352.376 0.102 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001609456426 1289161509 /nfs/dbraw/zinc/16/15/09/1289161509.db2.gz PITFSWZGQAVSDF-DTWKUNHWSA-N -2 3 352.376 0.102 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])cc1-c1nnn[n-]1 ZINC001609455995 1289161668 /nfs/dbraw/zinc/16/16/68/1289161668.db2.gz WKVNOMQGGDBCFV-SECBINFHSA-N -2 3 352.376 0.198 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])cc1-c1nn[n-]n1 ZINC001609455995 1289161669 /nfs/dbraw/zinc/16/16/69/1289161669.db2.gz WKVNOMQGGDBCFV-SECBINFHSA-N -2 3 352.376 0.198 20 0 FCADHL CN1C(=O)c2ccccc2[C@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606195190 1288206173 /nfs/dbraw/zinc/20/61/73/1288206173.db2.gz NUFYTBOQZIWAQV-SNVBAGLBSA-N -2 3 367.408 0.947 20 0 FCADHL Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001606237833 1288225705 /nfs/dbraw/zinc/22/57/05/1288225705.db2.gz RMXNDFFSALMDCM-RYUDHWBXSA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001606237833 1288225708 /nfs/dbraw/zinc/22/57/08/1288225708.db2.gz RMXNDFFSALMDCM-RYUDHWBXSA-N -2 3 354.374 0.690 20 0 FCADHL Cc1nsc(C)c1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609464459 1289166112 /nfs/dbraw/zinc/16/61/12/1289166112.db2.gz UKRAEIDCJCIVCE-UHFFFAOYSA-N -2 3 365.400 0.454 20 0 FCADHL Cc1nsc(C)c1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609464459 1289166115 /nfs/dbraw/zinc/16/61/15/1289166115.db2.gz UKRAEIDCJCIVCE-UHFFFAOYSA-N -2 3 365.400 0.454 20 0 FCADHL CS(=O)(=O)c1nc([N-]C(=O)c2csc(Br)n2)n[n-]1 ZINC001610193469 1289419645 /nfs/dbraw/zinc/41/96/45/1289419645.db2.gz DCYCUCDXCXQXDF-UHFFFAOYSA-N -2 3 352.195 0.680 20 0 FCADHL COC(=O)[C@@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])C[C@H]1C(=O)[O-] ZINC001606420590 1288303969 /nfs/dbraw/zinc/30/39/69/1288303969.db2.gz JCURCKFCUCLOJW-VXGBXAGGSA-N -2 3 350.327 0.296 20 0 FCADHL COC(=O)C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(=O)[O-] ZINC001606475769 1288336652 /nfs/dbraw/zinc/33/66/52/1288336652.db2.gz NDXWBQWKUSARAG-SNVBAGLBSA-N -2 3 363.319 0.370 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001606588361 1288398287 /nfs/dbraw/zinc/39/82/87/1288398287.db2.gz SDGFPNLTWSWIDG-UHFFFAOYSA-N -2 3 358.387 0.588 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001606588361 1288398288 /nfs/dbraw/zinc/39/82/88/1288398288.db2.gz SDGFPNLTWSWIDG-UHFFFAOYSA-N -2 3 358.387 0.588 20 0 FCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccnn1C ZINC001606593249 1288398591 /nfs/dbraw/zinc/39/85/91/1288398591.db2.gz PPLXCXLEBYDCSZ-GFCCVEGCSA-N -2 3 371.346 0.450 20 0 FCADHL O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001606842308 1288536052 /nfs/dbraw/zinc/53/60/52/1288536052.db2.gz NTKRPOBZZZURJG-UHFFFAOYSA-N -2 3 364.325 0.535 20 0 FCADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001606863246 1288542044 /nfs/dbraw/zinc/54/20/44/1288542044.db2.gz WXNVNDNUQDINQG-MRVPVSSYSA-N -3 3 369.754 0.945 20 0 FCADHL COCCOc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606917624 1288562296 /nfs/dbraw/zinc/56/22/96/1288562296.db2.gz RSMNPTFBAWSTSC-UHFFFAOYSA-N -2 3 356.356 0.877 20 0 FCADHL O=C([O-])COCC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001606957704 1288574302 /nfs/dbraw/zinc/57/43/02/1288574302.db2.gz IJYDYDKQODEXSQ-NSHDSACASA-N -2 3 359.264 0.688 20 0 FCADHL O=C([O-])COCC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001606957704 1288574304 /nfs/dbraw/zinc/57/43/04/1288574304.db2.gz IJYDYDKQODEXSQ-NSHDSACASA-N -2 3 359.264 0.688 20 0 FCADHL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606960022 1288575303 /nfs/dbraw/zinc/57/53/03/1288575303.db2.gz FOVXMDXITMISLP-LBPRGKRZSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)CC1CC1 ZINC001606959723 1288575576 /nfs/dbraw/zinc/57/55/76/1288575576.db2.gz MALISJHYENOMOD-VIFPVBQESA-N -2 3 369.378 0.785 20 0 FCADHL O=C([O-])[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)CC1CC1 ZINC001606959723 1288575578 /nfs/dbraw/zinc/57/55/78/1288575578.db2.gz MALISJHYENOMOD-VIFPVBQESA-N -2 3 369.378 0.785 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001606959553 1288575805 /nfs/dbraw/zinc/57/58/05/1288575805.db2.gz APCORNNPVQDMAV-VIFPVBQESA-N -2 3 352.376 0.137 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001606959553 1288575807 /nfs/dbraw/zinc/57/58/07/1288575807.db2.gz APCORNNPVQDMAV-VIFPVBQESA-N -2 3 352.376 0.137 20 0 FCADHL O=C([O-])[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606961123 1288576351 /nfs/dbraw/zinc/57/63/51/1288576351.db2.gz XAUQPHVFFQIDJS-HTQZYQBOSA-N -2 3 373.416 0.086 20 0 FCADHL O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)C2 ZINC001606960050 1288576554 /nfs/dbraw/zinc/57/65/54/1288576554.db2.gz OULCGEYBSXXXOU-QMTHXVAHSA-N -2 3 367.362 0.242 20 0 FCADHL O=C([O-])C1CCN(C(=O)C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001606960769 1288576589 /nfs/dbraw/zinc/57/65/89/1288576589.db2.gz LWTUTERUSQBUHO-UHFFFAOYSA-N -2 3 370.369 0.032 20 0 FCADHL O=C([O-])C1CCN(C(=O)C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001606960769 1288576591 /nfs/dbraw/zinc/57/65/91/1288576591.db2.gz LWTUTERUSQBUHO-UHFFFAOYSA-N -2 3 370.369 0.032 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001606962248 1288577484 /nfs/dbraw/zinc/57/74/84/1288577484.db2.gz LZGTTZJEWUTHKC-OTYXRUKQSA-N -2 3 367.362 0.634 20 0 FCADHL O=C([O-])[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001606962248 1288577486 /nfs/dbraw/zinc/57/74/86/1288577486.db2.gz LZGTTZJEWUTHKC-OTYXRUKQSA-N -2 3 367.362 0.634 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)c1C(=O)[O-] ZINC001607939292 1288749745 /nfs/dbraw/zinc/74/97/45/1288749745.db2.gz AZDKTASIAPOPNM-ZANVPECISA-N -2 3 361.445 0.749 20 0 FCADHL Cn1cc([C@@H]2C[C@H]([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])CCO2)cn1 ZINC001608106858 1288769070 /nfs/dbraw/zinc/76/90/70/1288769070.db2.gz IIBLXMLIRSCLRX-KOLCDFICSA-N -2 3 355.376 0.040 20 0 FCADHL Cn1nccc1[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001608162691 1288784683 /nfs/dbraw/zinc/78/46/83/1288784683.db2.gz KZITWCFXYLJRDT-JQWIXIFHSA-N -2 3 355.372 0.910 20 0 FCADHL Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C2 ZINC001608168389 1288786108 /nfs/dbraw/zinc/78/61/08/1288786108.db2.gz QGNUQLUIRGQXGU-SSDOTTSWSA-N -2 3 372.353 0.627 20 0 FCADHL NC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001608240863 1288800613 /nfs/dbraw/zinc/80/06/13/1288800613.db2.gz MUMWNDBYHJMNBX-OLQVQODUSA-N -2 3 350.755 0.720 20 0 FCADHL CC(C)(CCNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)[O-] ZINC001609083801 1288909242 /nfs/dbraw/zinc/90/92/42/1288909242.db2.gz QVAHREMGBJEBAX-UHFFFAOYSA-N -2 3 362.394 0.474 20 0 FCADHL CC(C)(CCNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC001609083801 1288909248 /nfs/dbraw/zinc/90/92/48/1288909248.db2.gz QVAHREMGBJEBAX-UHFFFAOYSA-N -2 3 362.394 0.474 20 0 FCADHL CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609106323 1288921911 /nfs/dbraw/zinc/92/19/11/1288921911.db2.gz RQFVXPNNWXXYBO-UHFFFAOYSA-N -2 3 373.398 0.899 20 0 FCADHL CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609106323 1288921914 /nfs/dbraw/zinc/92/19/14/1288921914.db2.gz RQFVXPNNWXXYBO-UHFFFAOYSA-N -2 3 373.398 0.899 20 0 FCADHL C[C@H](CSCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001609115229 1288928499 /nfs/dbraw/zinc/92/84/99/1288928499.db2.gz PFCPXNALTQGZOZ-SECBINFHSA-N -2 3 371.444 0.599 20 0 FCADHL C[C@H](CSCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001609115229 1288928505 /nfs/dbraw/zinc/92/85/05/1288928505.db2.gz PFCPXNALTQGZOZ-SECBINFHSA-N -2 3 371.444 0.599 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001609155539 1288954998 /nfs/dbraw/zinc/95/49/98/1288954998.db2.gz PFWDXZMKVGPMLL-CABZTGNLSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001609155539 1288954999 /nfs/dbraw/zinc/95/49/99/1288954999.db2.gz PFWDXZMKVGPMLL-CABZTGNLSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C(=O)[O-] ZINC001609167239 1288960733 /nfs/dbraw/zinc/96/07/33/1288960733.db2.gz RROQGJOVVSEAAK-SKDRFNHKSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C(=O)[O-] ZINC001609167239 1288960736 /nfs/dbraw/zinc/96/07/36/1288960736.db2.gz RROQGJOVVSEAAK-SKDRFNHKSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CC[C@H]1C(=O)[O-] ZINC001609173484 1288967221 /nfs/dbraw/zinc/96/72/21/1288967221.db2.gz KGBIDCJLRPUWHE-WCBMZHEXSA-N -2 3 369.378 0.737 20 0 FCADHL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001609221744 1288996064 /nfs/dbraw/zinc/99/60/64/1288996064.db2.gz SGAKOAURSUGNER-QMMMGPOBSA-N -2 3 354.392 0.301 20 0 FCADHL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001609221744 1288996066 /nfs/dbraw/zinc/99/60/66/1288996066.db2.gz SGAKOAURSUGNER-QMMMGPOBSA-N -2 3 354.392 0.301 20 0 FCADHL NS(=O)(=O)c1ccc(NCCCCCC(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609508367 1289188585 /nfs/dbraw/zinc/18/85/85/1289188585.db2.gz SDNYDDJURXZCDM-UHFFFAOYSA-N -2 3 354.392 0.571 20 0 FCADHL NS(=O)(=O)c1ccc(NCCCCCC(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609508367 1289188587 /nfs/dbraw/zinc/18/85/87/1289188587.db2.gz SDNYDDJURXZCDM-UHFFFAOYSA-N -2 3 354.392 0.571 20 0 FCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001609510866 1289190075 /nfs/dbraw/zinc/19/00/75/1289190075.db2.gz KWNKBKMRHJOEML-UHFFFAOYSA-N -2 3 355.293 0.364 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@@H]1CCCOCC1 ZINC001609560345 1289225415 /nfs/dbraw/zinc/22/54/15/1289225415.db2.gz JJCOOXZXPSQURB-SNVBAGLBSA-N -2 3 351.388 0.488 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@@H]1CCCOCC1 ZINC001609560345 1289225422 /nfs/dbraw/zinc/22/54/22/1289225422.db2.gz JJCOOXZXPSQURB-SNVBAGLBSA-N -2 3 351.388 0.488 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1csc(-c2nnn[n-]2)c1 ZINC001609560068 1289225968 /nfs/dbraw/zinc/22/59/68/1289225968.db2.gz RTIHHPMSLCNLMZ-SECBINFHSA-N -2 3 357.417 0.557 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1conc1C1CC1 ZINC001609560395 1289226036 /nfs/dbraw/zinc/22/60/36/1289226036.db2.gz MDQSWCQLJMPJPO-UHFFFAOYSA-N -2 3 360.355 0.851 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1conc1C1CC1 ZINC001609560395 1289226042 /nfs/dbraw/zinc/22/60/42/1289226042.db2.gz MDQSWCQLJMPJPO-UHFFFAOYSA-N -2 3 360.355 0.851 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC001609572098 1289234972 /nfs/dbraw/zinc/23/49/72/1289234972.db2.gz YXNPKRQPGJDBJH-MNOVXSKESA-N -2 3 351.750 0.769 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC001609572098 1289234979 /nfs/dbraw/zinc/23/49/79/1289234979.db2.gz YXNPKRQPGJDBJH-MNOVXSKESA-N -2 3 351.750 0.769 20 0 FCADHL O=S(=O)([N-]c1ncccc1-c1nnn[n-]1)c1cnn([C@@H]2CCOC2)c1 ZINC001609596468 1289253705 /nfs/dbraw/zinc/25/37/05/1289253705.db2.gz LTCACMXILDMDTQ-SECBINFHSA-N -2 3 362.375 0.220 20 0 FCADHL O=S(=O)([N-]c1ncccc1-c1nn[n-]n1)c1cnn([C@@H]2CCOC2)c1 ZINC001609596468 1289253710 /nfs/dbraw/zinc/25/37/10/1289253710.db2.gz LTCACMXILDMDTQ-SECBINFHSA-N -2 3 362.375 0.220 20 0 FCADHL CC(=O)c1ccccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[n-]c1=O ZINC001609630585 1289268013 /nfs/dbraw/zinc/26/80/13/1289268013.db2.gz UUUVZAZZBJMWJH-SNVBAGLBSA-N -3 3 365.342 0.509 20 0 FCADHL CC(C)(C)[C@@H](O)C[C@@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609654306 1289273828 /nfs/dbraw/zinc/27/38/28/1289273828.db2.gz QCTIXTPJBYRRQC-YUMQZZPRSA-N -2 3 352.434 0.278 20 0 FCADHL CC[C@](COC)([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-] ZINC001609926333 1289328750 /nfs/dbraw/zinc/32/87/50/1289328750.db2.gz OOOAARRIRWBEKA-CQSZACIVSA-N -2 3 363.363 0.770 20 0 FCADHL CO[C@H](C)CS(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001610225239 1289431728 /nfs/dbraw/zinc/43/17/28/1289431728.db2.gz MEMLIKCISHAWNM-SCZZXKLOSA-N -2 3 362.429 0.506 20 0 FCADHL CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001610379843 1289476881 /nfs/dbraw/zinc/47/68/81/1289476881.db2.gz ZEJQPLNANFIWLE-UHFFFAOYSA-N -2 3 371.396 0.057 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(C)cc2)c1C(=O)[O-] ZINC001610498960 1289496523 /nfs/dbraw/zinc/49/65/23/1289496523.db2.gz BGQLYZBECRSYLW-GFCCVEGCSA-N -2 3 353.400 0.607 20 0 FCADHL Cc1nc(C)c(CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)[n-]1 ZINC001610553722 1289507616 /nfs/dbraw/zinc/50/76/16/1289507616.db2.gz YDXIFGVFVCTWCJ-ZDUSSCGKSA-N -2 3 366.418 0.463 20 0 FCADHL NC(=O)[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1)c1ccccn1 ZINC001610634938 1289535239 /nfs/dbraw/zinc/53/52/39/1289535239.db2.gz LDTIPJCCQKJNPH-LBPRGKRZSA-N -2 3 355.416 0.563 20 0 FCADHL O=C([O-])[C@@H](CO)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001610652530 1289542444 /nfs/dbraw/zinc/54/24/44/1289542444.db2.gz WOMVJGKIRRNPKM-HZPDHXFCSA-N -2 3 372.377 0.815 20 0 FCADHL O=C([O-])[C@@H](O)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001610696183 1289559599 /nfs/dbraw/zinc/55/95/99/1289559599.db2.gz GUSDPGWSANLZGS-NSHDSACASA-N -2 3 355.144 0.466 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCN2CCCOCC2)c1F ZINC001610805731 1289599990 /nfs/dbraw/zinc/59/99/90/1289599990.db2.gz GYEQFVKLHMDANJ-UHFFFAOYSA-N -2 3 364.370 0.664 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCN(c2ccccn2)C1 ZINC001610871573 1289614057 /nfs/dbraw/zinc/61/40/57/1289614057.db2.gz PFIICOHHFXGSAG-VIFPVBQESA-N -2 3 354.413 0.794 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCCS1 ZINC000826450545 836527835 /nfs/dbraw/zinc/52/78/35/836527835.db2.gz QURIWQWGTPWMHN-LLVKDONJSA-N -2 3 353.429 0.957 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCCS1 ZINC000826450545 836527843 /nfs/dbraw/zinc/52/78/43/836527843.db2.gz QURIWQWGTPWMHN-LLVKDONJSA-N -2 3 353.429 0.957 20 0 FCADHL O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CCN(C2CCOCC2)CC1 ZINC001148918698 849621851 /nfs/dbraw/zinc/62/18/51/849621851.db2.gz NPJUINCWJINDKA-UHFFFAOYSA-N -2 3 370.427 0.576 20 0 FCADHL CSc1ncc(C(=O)N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c(=O)[n-]1 ZINC001177888461 850875568 /nfs/dbraw/zinc/87/55/68/850875568.db2.gz DLOIDKXQOLDABD-SECBINFHSA-N -2 3 362.415 0.717 20 0 FCADHL C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NCCCCP(=O)([O-])[O-] ZINC001182192196 851163838 /nfs/dbraw/zinc/16/38/38/851163838.db2.gz XGRUKHNXNDKQEV-YPMHNXCESA-N -2 3 358.331 0.240 20 0 FCADHL COc1ccccc1C(=O)N1CC(C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001182229847 851166859 /nfs/dbraw/zinc/16/68/59/851166859.db2.gz FUCCCVZTFYBSRQ-UHFFFAOYSA-N -2 3 370.342 0.841 20 0 FCADHL CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001184180814 851293614 /nfs/dbraw/zinc/29/36/14/851293614.db2.gz QBBOYKRIWSWZQW-JTQLQIEISA-N -2 3 354.340 0.600 20 0 FCADHL CCOC(=O)C(NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)=C(C)[O-] ZINC001185324294 851352275 /nfs/dbraw/zinc/35/22/75/851352275.db2.gz HQJBNKDYZITDSR-GFCCVEGCSA-N -2 3 359.356 0.192 20 0 FCADHL CN(C)C[C@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189923962 851844333 /nfs/dbraw/zinc/84/43/33/851844333.db2.gz GOSHDNVVFMYWPH-LBPRGKRZSA-N -2 3 372.399 0.034 20 0 FCADHL CS(=O)(=O)Nc1ccc(C(=O)NCCCCP(=O)([O-])[O-])cc1F ZINC001194996550 852689492 /nfs/dbraw/zinc/68/94/92/852689492.db2.gz QULSHQKSYLAERY-UHFFFAOYSA-N -2 3 368.323 0.885 20 0 FCADHL CS(=O)(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195245027 852729438 /nfs/dbraw/zinc/72/94/38/852729438.db2.gz AXVDCOUNGLDKOS-LJGSYFOKSA-N -2 3 369.367 0.517 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCSCC2)c(F)cc1F ZINC001195247050 852730784 /nfs/dbraw/zinc/73/07/84/852730784.db2.gz LOFJVBQXAVHDQW-UHFFFAOYSA-N -2 3 366.411 0.990 20 0 FCADHL CC(=O)N1C[C@H]2C[C@@]2([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195248915 852731571 /nfs/dbraw/zinc/73/15/71/852731571.db2.gz KGSIXCRFRCSIJG-XLKFXECMSA-N -2 3 360.338 0.562 20 0 FCADHL CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195259258 852732415 /nfs/dbraw/zinc/73/24/15/852732415.db2.gz ARKHXUIIAYLJHZ-QMMMGPOBSA-N -2 3 362.354 0.952 20 0 FCADHL C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCS(=O)(=O)C1 ZINC001195257172 852732841 /nfs/dbraw/zinc/73/28/41/852732841.db2.gz AVXBTKMEGSOIAE-GFCCVEGCSA-N -2 3 369.367 0.519 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])c1ccnc(OCC2CCOCC2)n1 ZINC001199646823 853450711 /nfs/dbraw/zinc/45/07/11/853450711.db2.gz SGFCVDJLUDWDNS-UHFFFAOYSA-N -2 3 373.346 0.970 20 0 FCADHL O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ccc2c([O-])coc2c1 ZINC001225341792 857036476 /nfs/dbraw/zinc/03/64/76/857036476.db2.gz DEGJKNCUCXQNBE-LBPRGKRZSA-N -2 3 357.384 0.229 20 0 FCADHL CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](COc1nc(=O)[n-]c(=O)[n-]1)O2 ZINC001227568603 857164859 /nfs/dbraw/zinc/16/48/59/857164859.db2.gz PGNXXLQUEINJGD-SECBINFHSA-N -2 3 354.363 0.830 20 0 FCADHL CC(C)(C)OC(=O)N1C[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)[C@H]2OCCC[C@H]21 ZINC001227569300 857166024 /nfs/dbraw/zinc/16/60/24/857166024.db2.gz YSUADDHPEAPCFI-UTLUCORTSA-N -2 3 354.363 0.829 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c(F)cc1Cl ZINC001259222304 858249168 /nfs/dbraw/zinc/24/91/68/858249168.db2.gz NWFPSSVWVDJRIP-VIFPVBQESA-N -2 3 350.755 0.734 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC(=O)N2)c(F)cc1Cl ZINC001259222172 858249245 /nfs/dbraw/zinc/24/92/45/858249245.db2.gz KROXIJDHMBLNQO-LURJTMIESA-N -2 3 350.755 0.734 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCOC2=O)c(F)cc1Cl ZINC001259222804 858249480 /nfs/dbraw/zinc/24/94/80/858249480.db2.gz FBSGSQDEOPDKBM-UHFFFAOYSA-N -2 3 366.754 0.908 20 0 FCADHL COc1ccc(S(=O)(=O)Nc2c([O-])[nH]c(=O)[n-]c2=S)cc1Cl ZINC001260975957 858435908 /nfs/dbraw/zinc/43/59/08/858435908.db2.gz CABWZUIPHONAEG-MRVPVSSYSA-N -2 3 363.804 0.162 20 0 FCADHL CO[N-]C(=O)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC001304258746 866523986 /nfs/dbraw/zinc/52/39/86/866523986.db2.gz MXWOCJWUSZBYJB-UHFFFAOYSA-N -2 3 365.264 0.910 20 0 FCADHL C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001352071977 867023636 /nfs/dbraw/zinc/02/36/36/867023636.db2.gz HFMBFNLWCKHARW-FFWSUHOLSA-N -2 3 362.713 0.866 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001611227475 970943856 /nfs/dbraw/zinc/94/38/56/970943856.db2.gz HUJUBAQTJYAZQR-QGZVFWFLSA-N -2 3 360.370 0.025 20 0 FCADHL C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000324533721 971130372 /nfs/dbraw/zinc/13/03/72/971130372.db2.gz UMJCPPJXWLGUEI-FUXBKTLASA-N -2 3 351.327 0.481 20 0 FCADHL O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)c1n[nH]c(=O)[n-]1 ZINC000826458446 948340295 /nfs/dbraw/zinc/34/02/95/948340295.db2.gz QHLXYHSMSTXOAP-UHFFFAOYSA-N -2 3 372.736 0.782 20 0 FCADHL C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574678276 948746645 /nfs/dbraw/zinc/74/66/45/948746645.db2.gz BSEZOIYLUGCLME-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574678276 948746654 /nfs/dbraw/zinc/74/66/54/948746654.db2.gz BSEZOIYLUGCLME-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL CCN1CC[C@@H]1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001589741376 950599509 /nfs/dbraw/zinc/59/95/09/950599509.db2.gz MBMUXAHRVHFAMI-IVZWLZJFSA-N -2 3 351.325 0.203 20 0 FCADHL C[S@](=O)C1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000380122511 971678024 /nfs/dbraw/zinc/67/80/24/971678024.db2.gz SMAMIUKGVOGYCD-NRFANRHFSA-N -2 3 353.368 0.852 20 0 FCADHL CCOC(=O)c1nc(C2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)n[n-]1 ZINC001591279531 951119928 /nfs/dbraw/zinc/11/99/28/951119928.db2.gz PLVZUUCGBMWFAI-WDEREUQCSA-N -2 3 350.375 0.798 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571026841 951483685 /nfs/dbraw/zinc/48/36/85/951483685.db2.gz DOAQBJRIUBYPKI-MWLCHTKSSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571026841 951483694 /nfs/dbraw/zinc/48/36/94/951483694.db2.gz DOAQBJRIUBYPKI-MWLCHTKSSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1nccnc1-c1nnn[n-]1 ZINC001575065886 951590162 /nfs/dbraw/zinc/59/01/62/951590162.db2.gz CJKSGBGZNYGPOK-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1nccnc1-c1nn[n-]n1 ZINC001575065886 951590173 /nfs/dbraw/zinc/59/01/73/951590173.db2.gz CJKSGBGZNYGPOK-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575067199 951605019 /nfs/dbraw/zinc/60/50/19/951605019.db2.gz KDZNQIGJMNWHFO-SNVBAGLBSA-N -2 3 354.374 0.840 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067456 951610630 /nfs/dbraw/zinc/61/06/30/951610630.db2.gz MGHQVXZKIWLUTQ-SECBINFHSA-N -2 3 355.362 0.235 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067456 951610638 /nfs/dbraw/zinc/61/06/38/951610638.db2.gz MGHQVXZKIWLUTQ-SECBINFHSA-N -2 3 355.362 0.235 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575068300 951633999 /nfs/dbraw/zinc/63/39/99/951633999.db2.gz ZRGISXDQRJRIKE-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575068300 951634004 /nfs/dbraw/zinc/63/40/04/951634004.db2.gz ZRGISXDQRJRIKE-SECBINFHSA-N -2 3 355.362 0.012 20 0 FCADHL C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncccc1[O-] ZINC001575126390 952049889 /nfs/dbraw/zinc/04/98/89/952049889.db2.gz RJLYPCMKIUVHDU-SNVBAGLBSA-N -2 3 354.374 0.935 20 0 FCADHL O=C([O-])Cn1cccc(C(=O)Nc2cccc(-c3nc([O-])n[nH]3)c2)c1=O ZINC001595158245 952178682 /nfs/dbraw/zinc/17/86/82/952178682.db2.gz JDTMNPKCELZORQ-UHFFFAOYSA-N -2 3 355.310 0.676 20 0 FCADHL CC[C@H]([N-]S(=O)(=O)c1cnn(C)c1I)C(=O)[O-] ZINC001593624810 953545296 /nfs/dbraw/zinc/54/52/96/953545296.db2.gz UTJBFSAPEXWRTF-YFKPBYRVSA-N -2 3 373.172 0.166 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H]1CCC2(COC2)O1 ZINC001594896619 954568806 /nfs/dbraw/zinc/56/88/06/954568806.db2.gz QOERQKJSXLOIOB-VWYCJHECSA-N -2 3 366.336 0.531 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1CCC2(COC2)O1 ZINC001594896617 954568916 /nfs/dbraw/zinc/56/89/16/954568916.db2.gz QOERQKJSXLOIOB-DCAQKATOSA-N -2 3 366.336 0.531 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H]1CC2(CC2)C(=O)O1 ZINC001594896897 954575509 /nfs/dbraw/zinc/57/55/09/954575509.db2.gz VAOSFSHINZTEAW-BBBLOLIVSA-N -2 3 364.320 0.678 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)C1 ZINC001594897749 954583664 /nfs/dbraw/zinc/58/36/64/954583664.db2.gz CMYQGHCDIVCEJI-LBPRGKRZSA-N -2 3 360.414 0.957 20 0 FCADHL CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001593780035 954636252 /nfs/dbraw/zinc/63/62/52/954636252.db2.gz HQSLYZKGWOZORI-UTLUCORTSA-N -2 3 351.325 0.203 20 0 FCADHL Cn1c2cc([O-])c(NC(=O)[C@H]3CO[C@@H](CCC(=O)[O-])C3)cc2n(C)c1=O ZINC001594517329 955420821 /nfs/dbraw/zinc/42/08/21/955420821.db2.gz OQVUBJFVMUOIRF-ZJUUUORDSA-N -2 3 363.370 0.791 20 0 FCADHL C[C@@H](NC(=O)Nc1n[n-]nc1C(=O)NC1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108963 956053795 /nfs/dbraw/zinc/05/37/95/956053795.db2.gz UXURTJZITHLUTJ-FKTZTGRPSA-N -2 3 364.406 0.954 20 0 FCADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccnn2C)cc1F ZINC001594059318 958079655 /nfs/dbraw/zinc/07/96/55/958079655.db2.gz HQUIPROTEWFNFP-GFCCVEGCSA-N -2 3 361.326 0.811 20 0 FCADHL COCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391405482 972334526 /nfs/dbraw/zinc/33/45/26/972334526.db2.gz FZNMWJNDRKUOAB-ZDUSSCGKSA-N -2 3 353.343 0.729 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001594467462 959512009 /nfs/dbraw/zinc/51/20/09/959512009.db2.gz BJISIIHSLLOJFI-OLZOCXBDSA-N -2 3 373.413 0.874 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3cccc(OCC(=O)[O-])c3)C2)n1 ZINC001574307069 960745714 /nfs/dbraw/zinc/74/57/14/960745714.db2.gz SDELWFMNBRMSFJ-CYBMUJFWSA-N -2 3 372.381 0.963 20 0 FCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)[O-] ZINC001574436390 961416757 /nfs/dbraw/zinc/41/67/57/961416757.db2.gz RENKTJMGVHZHRW-GFCCVEGCSA-N -2 3 361.383 0.407 20 0 FCADHL CC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1I)C(=O)[O-] ZINC001573936382 961597473 /nfs/dbraw/zinc/59/74/73/961597473.db2.gz UTJBFSAPEXWRTF-RXMQYKEDSA-N -2 3 373.172 0.166 20 0 FCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001573345536 962935355 /nfs/dbraw/zinc/93/53/55/962935355.db2.gz VEMUDAUIHJGCQC-LBPRGKRZSA-N -2 3 361.354 0.322 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(S(C)(=O)=O)cc1 ZINC000315818865 963938884 /nfs/dbraw/zinc/93/88/84/963938884.db2.gz SGDQWCHYFCSVLN-QMMMGPOBSA-N -2 3 374.396 0.816 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001603351695 972770583 /nfs/dbraw/zinc/77/05/83/972770583.db2.gz BEVJHKTYUDKBTR-JSGCOSHPSA-N -2 3 357.370 0.334 20 0 FCADHL CCOC(=O)c1nc(C2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)n[n-]1 ZINC001603818843 974300911 /nfs/dbraw/zinc/30/09/11/974300911.db2.gz PLVZUUCGBMWFAI-GHMZBOCLSA-N -2 3 350.375 0.798 20 0 FCADHL C[C@@](Cc1ccc(F)cc1)([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)[O-] ZINC001592853058 979640869 /nfs/dbraw/zinc/64/08/69/979640869.db2.gz BWFXHWHKQFZMEJ-LBPRGKRZSA-N -2 3 352.409 0.774 20 0 FCADHL CC[C@](COC)([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC001595198973 979933951 /nfs/dbraw/zinc/93/39/51/979933951.db2.gz SMGVQBJXAQGEAB-CQSZACIVSA-N -2 3 363.363 0.770 20 0 FCADHL CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001595936190 983071952 /nfs/dbraw/zinc/07/19/52/983071952.db2.gz XYJUYCLTUXWSPA-UHFFFAOYSA-N -2 3 350.418 0.591 20 0 FCADHL CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001596534204 984357442 /nfs/dbraw/zinc/35/74/42/984357442.db2.gz HEDKTNAUWWJEBY-GRYCIOLGSA-N -2 3 365.448 0.906 20 0 FCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1 ZINC001596696518 984836458 /nfs/dbraw/zinc/83/64/58/984836458.db2.gz GKKHWHDONUQUNU-UHFFFAOYSA-N -2 3 359.404 0.818 20 0 FCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-])c(F)c1 ZINC001596725976 984980942 /nfs/dbraw/zinc/98/09/42/984980942.db2.gz FCVYMUUVDGDBPX-LLVKDONJSA-N -2 3 363.363 0.505 20 0 FCADHL CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)[n-]1 ZINC001596748488 985076985 /nfs/dbraw/zinc/07/69/85/985076985.db2.gz GIMLWLROYUUGCP-OUAUKWLOSA-N -2 3 368.390 0.817 20 0 FCADHL CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)[C@@H]2C1 ZINC001589055600 985158185 /nfs/dbraw/zinc/15/81/85/985158185.db2.gz CNXAUTNGUKPSQM-UHTWSYAYSA-N -2 3 356.400 0.903 20 0 FCADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@](C)(CO)C(=O)[O-])cc1Cl ZINC001589179134 985548259 /nfs/dbraw/zinc/54/82/59/985548259.db2.gz HYSUGXJNSJXRHW-LBPRGKRZSA-N -2 3 368.770 0.551 20 0 FCADHL C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccc(O)cc1[O-] ZINC001594662131 986941719 /nfs/dbraw/zinc/94/17/19/986941719.db2.gz YIAVUYOPNZTDQZ-KWQFWETISA-N -2 3 354.384 0.592 20 0 FCADHL 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363.388 0.537 20 0 FCADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000275080386 488759530 /nfs/dbraw/zinc/75/95/30/488759530.db2.gz NEXANLYEKBPNFZ-YFKPBYRVSA-N -3 3 357.171 0.985 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2cnn(C)c2)C(=O)[O-])s1 ZINC000275172532 488768791 /nfs/dbraw/zinc/76/87/91/488768791.db2.gz CHAAWLIODYKDHU-VIFPVBQESA-N -2 3 373.412 0.242 20 0 FCADHL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1 ZINC000275270657 488778839 /nfs/dbraw/zinc/77/88/39/488778839.db2.gz NDFOBQVNZNJRAK-QMMMGPOBSA-N -2 3 367.326 0.869 20 0 FCADHL O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000554878217 491230233 /nfs/dbraw/zinc/23/02/33/491230233.db2.gz YUSDVSVVRCWNRM-LLVKDONJSA-N -2 3 360.757 0.970 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCOCCF)c(F)c1 ZINC000660176808 493332495 /nfs/dbraw/zinc/33/24/95/493332495.db2.gz XYCKBVBFYUYQDB-UHFFFAOYSA-N -2 3 358.388 0.462 20 0 FCADHL Cc1oc(C[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1C(=O)[O-] ZINC000281710575 489100309 /nfs/dbraw/zinc/10/03/09/489100309.db2.gz CKASTVXBULYHOR-JTQLQIEISA-N -2 3 355.372 0.923 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2O)c(F)c1 ZINC000330469114 489106082 /nfs/dbraw/zinc/10/60/82/489106082.db2.gz VBUKYTSCLZJKRA-BXKDBHETSA-N -2 3 366.436 0.637 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2CCOCC2)c(F)c1 ZINC000330521586 489111430 /nfs/dbraw/zinc/11/14/30/489111430.db2.gz LSWORPKRYSZDTG-UHFFFAOYSA-N -2 3 352.409 0.655 20 0 FCADHL COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c1 ZINC000282358933 489157503 /nfs/dbraw/zinc/15/75/03/489157503.db2.gz BBSYSQKEOVIJLQ-UHFFFAOYSA-N -2 3 371.367 0.545 20 0 FCADHL CCn1cnc(S(=O)(=O)[N-][C@@H](CC2CCCCC2)[C@@H](O)C(=O)[O-])c1 ZINC000555411819 491249742 /nfs/dbraw/zinc/24/97/42/491249742.db2.gz UPYHOYNSEYCUSW-GXTWGEPZSA-N -2 3 359.448 0.966 20 0 FCADHL CCn1cnc(S(=O)(=O)[N-][C@H](CC2CCCCC2)[C@@H](O)C(=O)[O-])c1 ZINC000555411832 491249837 /nfs/dbraw/zinc/24/98/37/491249837.db2.gz 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CC(C)[C@@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)c2cncc(F)c2)C1=O ZINC000417447693 489654213 /nfs/dbraw/zinc/65/42/13/489654213.db2.gz QYYCESQHOFMORN-RYUDHWBXSA-N -2 3 359.379 0.209 20 0 FCADHL CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000492332356 489825779 /nfs/dbraw/zinc/82/57/79/489825779.db2.gz GUASLFIASQOFSR-NWDGAFQWSA-N -2 3 366.436 0.635 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc3nc(C)cc(=O)n3[n-]2)oc1C ZINC000432389132 489840287 /nfs/dbraw/zinc/84/02/87/489840287.db2.gz SYJLLPDHSXGGNE-UHFFFAOYSA-N -2 3 367.343 0.215 20 0 FCADHL COC(=O)Cc1n[n-]c([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)n1 ZINC000460528679 489870907 /nfs/dbraw/zinc/87/09/07/489870907.db2.gz CHHVLZNYMLKQCH-UHFFFAOYSA-N -2 3 370.387 0.647 20 0 FCADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000478545236 490024712 /nfs/dbraw/zinc/02/47/12/490024712.db2.gz ZSITZTLPODXLMN-LBPRGKRZSA-N -2 3 371.394 0.269 20 0 FCADHL O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000378535890 490082702 /nfs/dbraw/zinc/08/27/02/490082702.db2.gz BCFHFJHMEZGISK-GFCCVEGCSA-N -2 3 359.321 0.444 20 0 FCADHL O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000378535890 490082708 /nfs/dbraw/zinc/08/27/08/490082708.db2.gz BCFHFJHMEZGISK-GFCCVEGCSA-N -2 3 359.321 0.444 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2ccc(F)cc2[O-])cn1C ZINC000532621925 490086037 /nfs/dbraw/zinc/08/60/37/490086037.db2.gz JMMQQOUJSMLRGQ-UHFFFAOYSA-N -2 3 356.379 0.880 20 0 FCADHL CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC[C@H](C(=O)[O-])C3)cc(C3CC3)nc21 ZINC000532676225 490096025 /nfs/dbraw/zinc/09/60/25/490096025.db2.gz KEZJPLTUGLSAJM-JTQLQIEISA-N -2 3 372.381 0.941 20 0 FCADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc4c3C(=O)NC4)ccc21 ZINC000520239207 490122258 /nfs/dbraw/zinc/12/22/58/490122258.db2.gz UMTVWNKLBDIEMN-UHFFFAOYSA-N -2 3 357.347 0.614 20 0 FCADHL O=C([O-])[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000532868853 490133107 /nfs/dbraw/zinc/13/31/07/490133107.db2.gz STMLLKPBNILOLW-VIFPVBQESA-N 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490480370 /nfs/dbraw/zinc/48/03/70/490480370.db2.gz XQNDSVJDINXWAH-UHFFFAOYSA-N -2 3 353.356 0.310 20 0 FCADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000548568312 490507617 /nfs/dbraw/zinc/50/76/17/490507617.db2.gz JMESTQNVDLWUSG-WPRPVWTQSA-N -2 3 356.322 0.993 20 0 FCADHL O=C([O-])COCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548589248 490513379 /nfs/dbraw/zinc/51/33/79/490513379.db2.gz IQOJZNBRKHMHTC-UHFFFAOYSA-N -2 3 356.169 0.968 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)N=c2nc([C@H](C)OC)[n-]s2)cn1 ZINC000549382714 490580005 /nfs/dbraw/zinc/58/00/05/490580005.db2.gz QMNJSCXEYQPFKZ-ZETCQYMHSA-N -2 3 357.417 0.223 20 0 FCADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-] ZINC000527302240 490715914 /nfs/dbraw/zinc/71/59/14/490715914.db2.gz XZMGJLBJPRJFMR-LLVKDONJSA-N -2 3 351.352 0.229 20 0 FCADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)c1 ZINC000538297262 490725784 /nfs/dbraw/zinc/72/57/84/490725784.db2.gz ZPCOMRYOPSNVHQ-UHFFFAOYSA-N -2 3 366.399 0.677 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000514755164 490786526 /nfs/dbraw/zinc/78/65/26/490786526.db2.gz AMYIJRVQIRUZAJ-VIFPVBQESA-N -3 3 363.319 0.209 20 0 FCADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC ZINC000530435051 490905816 /nfs/dbraw/zinc/90/58/16/490905816.db2.gz KUFBHSGSZZCTJO-NSHDSACASA-N -2 3 365.379 0.619 20 0 FCADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000517680490 490916391 /nfs/dbraw/zinc/91/63/91/490916391.db2.gz BHBRSNCOVMKLTQ-UHFFFAOYSA-N -2 3 364.325 0.546 20 0 FCADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000517680490 490916394 /nfs/dbraw/zinc/91/63/94/490916394.db2.gz BHBRSNCOVMKLTQ-UHFFFAOYSA-N -2 3 364.325 0.546 20 0 FCADHL CSc1nc(C)c(CCC(=O)N(C)C[C@@H](C)c2nnn[n-]2)c(=O)[n-]1 ZINC000543701500 490942396 /nfs/dbraw/zinc/94/23/96/490942396.db2.gz ZYGKACCAZYBNPJ-MRVPVSSYSA-N -2 3 351.436 0.920 20 0 FCADHL CSc1nc(C)c(CCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(=O)[n-]1 ZINC000543701500 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366.334 0.843 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cc1C(=O)[O-] ZINC000737609448 598593939 /nfs/dbraw/zinc/59/39/39/598593939.db2.gz HILGHORWZDHDMG-UHFFFAOYSA-N -3 3 366.334 0.843 20 0 FCADHL O=C(c1cc(=O)[nH][n-]1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738297053 598722625 /nfs/dbraw/zinc/72/26/25/598722625.db2.gz NVASUWYLNDZYNF-UHFFFAOYSA-N -2 3 355.358 0.112 20 0 FCADHL O=C(c1cc(=O)[nH][n-]1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738297053 598722626 /nfs/dbraw/zinc/72/26/26/598722626.db2.gz NVASUWYLNDZYNF-UHFFFAOYSA-N -2 3 355.358 0.112 20 0 FCADHL Cc1ncsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737498423 599360429 /nfs/dbraw/zinc/36/04/29/599360429.db2.gz FPWRQSKVPHFOBO-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1ncsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737498423 599360430 /nfs/dbraw/zinc/36/04/30/599360430.db2.gz FPWRQSKVPHFOBO-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ncccn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738339922 599563714 /nfs/dbraw/zinc/56/37/14/599563714.db2.gz QWUUDGVSEKSIPN-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ncccn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738339922 599563715 /nfs/dbraw/zinc/56/37/15/599563715.db2.gz QWUUDGVSEKSIPN-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1cccnc1 ZINC000822223904 599624872 /nfs/dbraw/zinc/62/48/72/599624872.db2.gz OPVPEQJRZYMFNM-UHFFFAOYSA-N -2 3 358.383 0.618 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1cccnc1 ZINC000822223904 599624873 /nfs/dbraw/zinc/62/48/73/599624873.db2.gz OPVPEQJRZYMFNM-UHFFFAOYSA-N -2 3 358.383 0.618 20 0 FCADHL C[C@@H](CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000263262597 599739189 /nfs/dbraw/zinc/73/91/89/599739189.db2.gz UYRHVEIWJUIYLX-ZETCQYMHSA-N -2 3 354.837 0.859 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738336790 599938182 /nfs/dbraw/zinc/93/81/82/599938182.db2.gz WBSXTVOIDPDYQP-CQSZACIVSA-N -2 3 372.381 0.385 20 0 FCADHL COC(=O)c1sc2[n-]c(CN3CCO[C@@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000737722690 599978191 /nfs/dbraw/zinc/97/81/91/599978191.db2.gz BGCWBDBYGJCSEA-MRVPVSSYSA-N -2 3 367.383 0.365 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC000823285292 607442308 /nfs/dbraw/zinc/44/23/08/607442308.db2.gz PJIFSFNNMGAYEA-GFCCVEGCSA-N -2 3 351.388 0.382 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC000823285292 607442310 /nfs/dbraw/zinc/44/23/10/607442310.db2.gz PJIFSFNNMGAYEA-GFCCVEGCSA-N -2 3 351.388 0.382 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000740175295 600435271 /nfs/dbraw/zinc/43/52/71/600435271.db2.gz MAFWLGWXIRQWQB-ZCFIWIBFSA-N -2 3 356.278 0.419 20 0 FCADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000737577226 600444244 /nfs/dbraw/zinc/44/42/44/600444244.db2.gz VMSDQLZUCCDIDB-SSDOTTSWSA-N -2 3 357.171 0.683 20 0 FCADHL O=C([O-])CCc1nnc([N-]C(=O)c2sccc2-n2cnnn2)s1 ZINC000739781182 600635018 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CCC(CC)([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(N)=O ZINC000828849267 601233578 /nfs/dbraw/zinc/23/35/78/601233578.db2.gz VTXFLKZXZFEXNU-UHFFFAOYSA-N -2 3 350.343 0.985 20 0 FCADHL NC(=O)C1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCC1 ZINC000833077769 601237621 /nfs/dbraw/zinc/23/76/21/601237621.db2.gz ALSIBSHNTWMRRM-UHFFFAOYSA-N -2 3 362.354 0.987 20 0 FCADHL O=C([O-])c1ccsc1N1CC[C@H]([N-]S(=O)(=O)C[C@H]2CCCO2)C1=O ZINC000833341969 601263348 /nfs/dbraw/zinc/26/33/48/601263348.db2.gz TUDGRKWMKNNSAF-KOLCDFICSA-N -2 3 374.440 0.650 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)o1 ZINC000833323419 601267796 /nfs/dbraw/zinc/26/77/96/601267796.db2.gz QQBBTYQVYKHIFV-JTQLQIEISA-N -2 3 358.372 0.036 20 0 FCADHL CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)o1 ZINC000829881705 601401501 /nfs/dbraw/zinc/40/15/01/601401501.db2.gz UQRABLYRFDSSCP-UHFFFAOYSA-N -2 3 357.344 0.216 20 0 FCADHL O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000833232856 601441152 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360.370 0.867 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1F ZINC000776680502 601739194 /nfs/dbraw/zinc/73/91/94/601739194.db2.gz LBAIANMKXGMVJU-OAHLLOKOSA-N -2 3 374.390 0.486 20 0 FCADHL COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329566 602142641 /nfs/dbraw/zinc/14/26/41/602142641.db2.gz RIJCVYDVQNGPNH-BYPYZUCNSA-N -2 3 356.150 0.580 20 0 FCADHL CCN(CC(=O)[O-])C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000829624525 602144839 /nfs/dbraw/zinc/14/48/39/602144839.db2.gz WIUZRIXRCNQCQF-VIFPVBQESA-N -2 3 363.823 0.725 20 0 FCADHL O=S(=O)([N-][C@H]1CCC[C@H](O)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487804 607592656 /nfs/dbraw/zinc/59/26/56/607592656.db2.gz AHZRAVUXMGSXNW-IUCAKERBSA-N -2 3 359.358 0.727 20 0 FCADHL C[C@](O)(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000824671058 607636501 /nfs/dbraw/zinc/63/65/01/607636501.db2.gz VUYDFOWYKFEHHO-ZDUSSCGKSA-N -2 3 359.358 0.584 20 0 FCADHL O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490297 607646416 /nfs/dbraw/zinc/64/64/16/607646416.db2.gz PUDHHBIEIIHJGP-PSASIEDQSA-N -2 3 373.385 0.974 20 0 FCADHL CC(C)(CCO)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824152893 607655575 /nfs/dbraw/zinc/65/55/75/607655575.db2.gz RXQPUCHUSVYOBF-UHFFFAOYSA-N -2 3 361.374 0.832 20 0 FCADHL O=S(=O)([N-]CC1(CCO)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489846 607675780 /nfs/dbraw/zinc/67/57/80/607675780.db2.gz BMEVLKQXMVDWDX-UHFFFAOYSA-N -2 3 373.385 0.976 20 0 FCADHL CN(C)C(=O)c1ccnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825849354 607695052 /nfs/dbraw/zinc/69/50/52/607695052.db2.gz KLHQZHUAIUBDGP-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CN(C)C(=O)c1ccnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825849354 607695053 /nfs/dbraw/zinc/69/50/53/607695053.db2.gz KLHQZHUAIUBDGP-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CNC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)C ZINC000830979208 604506573 /nfs/dbraw/zinc/50/65/73/604506573.db2.gz 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Cc1n[nH]cc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000822015175 606622176 /nfs/dbraw/zinc/62/21/76/606622176.db2.gz FLQPBYYQBNTLLY-UHFFFAOYSA-N -2 3 351.396 0.651 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000822622619 606709928 /nfs/dbraw/zinc/70/99/28/606709928.db2.gz GCSGVOPMWCPEEL-UHFFFAOYSA-N -2 3 359.293 0.818 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000822623560 606710259 /nfs/dbraw/zinc/71/02/59/606710259.db2.gz ZYKXNWTURFRMKV-UHFFFAOYSA-N -3 3 367.322 0.238 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cnc1Cl ZINC000822211947 606711303 /nfs/dbraw/zinc/71/13/03/606711303.db2.gz VDUVBMSVOZJFLC-UHFFFAOYSA-N -2 3 354.783 0.758 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCCO1 ZINC000820578220 606747730 /nfs/dbraw/zinc/74/77/30/606747730.db2.gz YFIXSCRBIVPOHB-AWEZNQCLSA-N -2 3 351.388 0.382 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCCO1 ZINC000820578220 606747732 /nfs/dbraw/zinc/74/77/32/606747732.db2.gz YFIXSCRBIVPOHB-AWEZNQCLSA-N -2 3 351.388 0.382 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)COC1 ZINC000820943846 606747777 /nfs/dbraw/zinc/74/77/77/606747777.db2.gz CCUOZRAFWHNWIL-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)COC1 ZINC000820943846 606747780 /nfs/dbraw/zinc/74/77/80/606747780.db2.gz CCUOZRAFWHNWIL-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCCO1 ZINC000822222391 606749456 /nfs/dbraw/zinc/74/94/56/606749456.db2.gz FJZMLPDOVQYZLZ-LBPRGKRZSA-N -2 3 365.415 0.939 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCCO1 ZINC000822222391 606749458 /nfs/dbraw/zinc/74/94/58/606749458.db2.gz FJZMLPDOVQYZLZ-LBPRGKRZSA-N -2 3 365.415 0.939 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820973644 606839162 /nfs/dbraw/zinc/83/91/62/606839162.db2.gz YUPYOSKSXBZRIT-OLZOCXBDSA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820973644 606839164 /nfs/dbraw/zinc/83/91/64/606839164.db2.gz YUPYOSKSXBZRIT-OLZOCXBDSA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC000820973166 606839187 /nfs/dbraw/zinc/83/91/87/606839187.db2.gz UQDGXJQSFYHXGV-STQMWFEESA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC000820973166 606839188 /nfs/dbraw/zinc/83/91/88/606839188.db2.gz UQDGXJQSFYHXGV-STQMWFEESA-N -2 3 365.415 0.770 20 0 FCADHL CCOC(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821330771 606893872 /nfs/dbraw/zinc/89/38/72/606893872.db2.gz RFGDDWMAWVBEQQ-UHFFFAOYSA-N -2 3 361.330 0.376 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820677288 606917329 /nfs/dbraw/zinc/91/73/29/606917329.db2.gz QHHWSFRSBLEDPQ-CABZTGNLSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820677288 606917330 /nfs/dbraw/zinc/91/73/30/606917330.db2.gz QHHWSFRSBLEDPQ-CABZTGNLSA-N -2 3 351.388 0.380 20 0 FCADHL COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821657329 606952010 /nfs/dbraw/zinc/95/20/10/606952010.db2.gz MCYVRWNFYHUCTA-SECBINFHSA-N -2 3 367.387 0.179 20 0 FCADHL COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821657329 606952012 /nfs/dbraw/zinc/95/20/12/606952012.db2.gz MCYVRWNFYHUCTA-SECBINFHSA-N -2 3 367.387 0.179 20 0 FCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820214790 607078279 /nfs/dbraw/zinc/07/82/79/607078279.db2.gz OMCWWJATPGOENZ-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820214790 607078280 /nfs/dbraw/zinc/07/82/80/607078280.db2.gz OMCWWJATPGOENZ-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL CC(C)S(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820184325 607082234 /nfs/dbraw/zinc/08/22/34/607082234.db2.gz ZVMOQBWXYHAWAA-UHFFFAOYSA-N -2 3 353.404 0.879 20 0 FCADHL CCCS(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821139249 607091548 /nfs/dbraw/zinc/09/15/48/607091548.db2.gz RITGXLZAPNPNGD-UHFFFAOYSA-N -2 3 353.404 0.880 20 0 FCADHL O=C([O-])C[C@@H]1CSCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823387322 607107653 /nfs/dbraw/zinc/10/76/53/607107653.db2.gz IIDDOOAQQBVIKP-LLVKDONJSA-N -2 3 363.399 0.664 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000820541877 607108500 /nfs/dbraw/zinc/10/85/00/607108500.db2.gz JMKWUVRIFQBBGT-SECBINFHSA-N -2 3 357.330 0.554 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000820541877 607108501 /nfs/dbraw/zinc/10/85/01/607108501.db2.gz JMKWUVRIFQBBGT-SECBINFHSA-N -2 3 357.330 0.554 20 0 FCADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826268141 607779701 /nfs/dbraw/zinc/77/97/01/607779701.db2.gz LKWCJMSMKPTWTE-UHFFFAOYSA-N -2 3 350.335 0.761 20 0 FCADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826268141 607779702 /nfs/dbraw/zinc/77/97/02/607779702.db2.gz LKWCJMSMKPTWTE-UHFFFAOYSA-N -2 3 350.335 0.761 20 0 FCADHL O=S(=O)([N-][C@H]1CCCC[C@H]1CO)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487878 607971595 /nfs/dbraw/zinc/97/15/95/607971595.db2.gz BZICLPVFVLXGQC-UFBFGSQYSA-N -2 3 373.385 0.974 20 0 FCADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826409142 607985471 /nfs/dbraw/zinc/98/54/71/607985471.db2.gz KFPGNSFABRGTHO-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826409142 607985472 /nfs/dbraw/zinc/98/54/72/607985472.db2.gz KFPGNSFABRGTHO-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825898054 608010084 /nfs/dbraw/zinc/01/00/84/608010084.db2.gz WZKNCFUGDSDNBT-UHFFFAOYSA-N -2 3 365.293 0.591 20 0 FCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)[O-] ZINC000824634746 608010646 /nfs/dbraw/zinc/01/06/46/608010646.db2.gz XPHNNRONGUSNHE-YFKPBYRVSA-N -2 3 365.293 0.637 20 0 FCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)[O-] ZINC000824634746 608010647 /nfs/dbraw/zinc/01/06/47/608010647.db2.gz XPHNNRONGUSNHE-YFKPBYRVSA-N -2 3 365.293 0.637 20 0 FCADHL O=C([O-])CCCCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826461296 608010805 /nfs/dbraw/zinc/01/08/05/608010805.db2.gz OLDMQBUJMDWMAR-UHFFFAOYSA-N -2 3 357.367 0.929 20 0 FCADHL O=C([O-])CCCCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826461296 608010806 /nfs/dbraw/zinc/01/08/06/608010806.db2.gz OLDMQBUJMDWMAR-UHFFFAOYSA-N -2 3 357.367 0.929 20 0 FCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826461084 608011693 /nfs/dbraw/zinc/01/16/93/608011693.db2.gz FQVUGLVNZCALRB-VIFPVBQESA-N -2 3 357.779 0.758 20 0 FCADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824309138 608140848 /nfs/dbraw/zinc/14/08/48/608140848.db2.gz GGUKBWYNALDHGL-UHFFFAOYSA-N -2 3 353.404 0.877 20 0 FCADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824309138 608140849 /nfs/dbraw/zinc/14/08/49/608140849.db2.gz GGUKBWYNALDHGL-UHFFFAOYSA-N -2 3 353.404 0.877 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)cnc1N ZINC000826186767 608293049 /nfs/dbraw/zinc/29/30/49/608293049.db2.gz JXYNFHNLHSLULF-UHFFFAOYSA-N -2 3 361.387 0.962 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826424015 608448685 /nfs/dbraw/zinc/44/86/85/608448685.db2.gz RQOLNULJODOUDJ-UHFFFAOYSA-N -2 3 370.304 0.134 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826424015 608448687 /nfs/dbraw/zinc/44/86/87/608448687.db2.gz RQOLNULJODOUDJ-UHFFFAOYSA-N -2 3 370.304 0.134 20 0 FCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825494307 608473531 /nfs/dbraw/zinc/47/35/31/608473531.db2.gz VTCHHFHIFHDARB-UHFFFAOYSA-N -2 3 365.371 0.015 20 0 FCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825494307 608473534 /nfs/dbraw/zinc/47/35/34/608473534.db2.gz VTCHHFHIFHDARB-UHFFFAOYSA-N -2 3 365.371 0.015 20 0 FCADHL CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825181318 609139299 /nfs/dbraw/zinc/13/92/99/609139299.db2.gz CVHJIXXSNQIFOX-RYUDHWBXSA-N -2 3 365.415 0.877 20 0 FCADHL CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825181318 609139300 /nfs/dbraw/zinc/13/93/00/609139300.db2.gz CVHJIXXSNQIFOX-RYUDHWBXSA-N -2 3 365.415 0.877 20 0 FCADHL NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826395379 609262746 /nfs/dbraw/zinc/26/27/46/609262746.db2.gz YJTFWIGPULOXKW-UHFFFAOYSA-N -2 3 366.384 0.534 20 0 FCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825356953 609399914 /nfs/dbraw/zinc/39/99/14/609399914.db2.gz RQPRABOFGBVJFL-UHFFFAOYSA-N -2 3 361.387 0.592 20 0 FCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825356953 609399916 /nfs/dbraw/zinc/39/99/16/609399916.db2.gz RQPRABOFGBVJFL-UHFFFAOYSA-N -2 3 361.387 0.592 20 0 FCADHL Cc1cc(C(=O)OCc2n[nH]c(=O)[n-]2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261856 609625978 /nfs/dbraw/zinc/62/59/78/609625978.db2.gz VFTYEBIXSUBSEO-UHFFFAOYSA-N -2 3 367.329 0.542 20 0 FCADHL Cc1cc(C(=O)OCc2n[nH]c(=O)[n-]2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261856 609625979 /nfs/dbraw/zinc/62/59/79/609625979.db2.gz VFTYEBIXSUBSEO-UHFFFAOYSA-N -2 3 367.329 0.542 20 0 FCADHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000057118565 664221728 /nfs/dbraw/zinc/22/17/28/664221728.db2.gz SIPZMHSYDIEZKD-MRVPVSSYSA-N -3 3 358.372 0.512 20 0 FCADHL COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000738046010 664922829 /nfs/dbraw/zinc/92/28/29/664922829.db2.gz PFLKIEURBGDRHM-STQMWFEESA-N -2 3 356.400 0.154 20 0 FCADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000064375498 666457047 /nfs/dbraw/zinc/45/70/47/666457047.db2.gz CCPYHJFZODEQSD-UHFFFAOYSA-N -2 3 354.388 0.205 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1 ZINC000912557431 666457695 /nfs/dbraw/zinc/45/76/95/666457695.db2.gz ACAQLANOQFUBBN-NSHDSACASA-N -2 3 353.356 0.609 20 0 FCADHL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000731596677 666826926 /nfs/dbraw/zinc/82/69/26/666826926.db2.gz WDDGPIHUDIGTLW-UHFFFAOYSA-N -2 3 359.363 0.778 20 0 FCADHL CO[N-]C(=O)C[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000921687479 667251954 /nfs/dbraw/zinc/25/19/54/667251954.db2.gz FEGKYJYXMSITRO-UHFFFAOYSA-N -2 3 371.184 0.553 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)Nc2cccnc2)c(F)cc1F ZINC000761287908 667885119 /nfs/dbraw/zinc/88/51/19/667885119.db2.gz PXHBFPYJGHZQLB-UHFFFAOYSA-N -2 3 371.321 0.975 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000776437227 668261954 /nfs/dbraw/zinc/26/19/54/668261954.db2.gz DGIDYOOSHPQQFC-SECBINFHSA-N -3 3 363.319 0.209 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000776503185 668266664 /nfs/dbraw/zinc/26/66/64/668266664.db2.gz ODCHZTPANJSUIQ-CABZTGNLSA-N -2 3 361.347 0.380 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H](CC2CCOCC2)C(=O)[O-])nc1Cl ZINC000776602177 668277562 /nfs/dbraw/zinc/27/75/62/668277562.db2.gz RXHAVGWBWHFIDV-SECBINFHSA-N -2 3 351.812 0.622 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)C2CCC2)cc1F ZINC000784899495 668681072 /nfs/dbraw/zinc/68/10/72/668681072.db2.gz YBQFLNBQRIFSNU-UHFFFAOYSA-N -2 3 350.393 0.802 20 0 FCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-])s1 ZINC000787933751 668815888 /nfs/dbraw/zinc/81/58/88/668815888.db2.gz IUZFDIACSYXFES-SSDOTTSWSA-N -2 3 365.385 0.254 20 0 FCADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)[N-]OC[C@@H]1CCOC1 ZINC000788570965 668833041 /nfs/dbraw/zinc/83/30/41/668833041.db2.gz CELDIJASXLRXRA-MRVPVSSYSA-N -2 3 354.837 0.764 20 0 FCADHL CCCC[C@@H](NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000821043632 669151925 /nfs/dbraw/zinc/15/19/25/669151925.db2.gz QYAOQHKXLTVPOT-GFCCVEGCSA-N -2 3 353.404 0.930 20 0 FCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(=O)[n-]1 ZINC000797246474 669157232 /nfs/dbraw/zinc/15/72/32/669157232.db2.gz AWXQRTYRVSCGMO-UHFFFAOYSA-N -2 3 363.395 0.782 20 0 FCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000824280420 669381803 /nfs/dbraw/zinc/38/18/03/669381803.db2.gz MVMHXODJYRAQIX-UHFFFAOYSA-N -2 3 364.391 0.166 20 0 FCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000824280420 669381808 /nfs/dbraw/zinc/38/18/08/669381808.db2.gz MVMHXODJYRAQIX-UHFFFAOYSA-N -2 3 364.391 0.166 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824864786 669421474 /nfs/dbraw/zinc/42/14/74/669421474.db2.gz FMWJHBSQFOUHFB-QWRGUYRKSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824864786 669421479 /nfs/dbraw/zinc/42/14/79/669421479.db2.gz FMWJHBSQFOUHFB-QWRGUYRKSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1=O ZINC000824867150 669422072 /nfs/dbraw/zinc/42/20/72/669422072.db2.gz OIOPWWMEJDUJMH-KOLCDFICSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC000824867150 669422074 /nfs/dbraw/zinc/42/20/74/669422074.db2.gz OIOPWWMEJDUJMH-KOLCDFICSA-N -2 3 363.399 0.677 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000825679792 669464395 /nfs/dbraw/zinc/46/43/95/669464395.db2.gz GLJBOWJEDIOLGR-CABZTGNLSA-N -2 3 353.404 0.785 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000825679792 669464399 /nfs/dbraw/zinc/46/43/99/669464399.db2.gz GLJBOWJEDIOLGR-CABZTGNLSA-N -2 3 353.404 0.785 20 0 FCADHL Cc1nn(C)cc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826333972 669491101 /nfs/dbraw/zinc/49/11/01/669491101.db2.gz BPHDHFGQRXQYGL-UHFFFAOYSA-N -2 3 369.357 0.665 20 0 FCADHL Cn1[n-]c(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)nc1=O ZINC000817294987 670006666 /nfs/dbraw/zinc/00/66/66/670006666.db2.gz URAMMNAAACBYEA-SNVBAGLBSA-N -2 3 355.320 0.718 20 0 FCADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837283661 670093634 /nfs/dbraw/zinc/09/36/34/670093634.db2.gz GKIXKCWEMXHISY-ZCFIWIBFSA-N -3 3 363.735 0.473 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837289886 670094807 /nfs/dbraw/zinc/09/48/07/670094807.db2.gz HXYSUEZAAAPERW-SSDOTTSWSA-N -2 3 373.612 0.875 20 0 FCADHL C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844895602 670954304 /nfs/dbraw/zinc/95/43/04/670954304.db2.gz SIGACYFLVPZXRK-ZCFIWIBFSA-N -2 3 357.356 0.374 20 0 FCADHL C[C@H](O)C1([N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]C2([C@H](C)O)CC2)CC1 ZINC000856129979 671678218 /nfs/dbraw/zinc/67/82/18/671678218.db2.gz ZVTPLZVDFDTZBE-YUMQZZPRSA-N -2 3 356.316 0.316 20 0 FCADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000131011004 673366455 /nfs/dbraw/zinc/36/64/55/673366455.db2.gz WLAMWNULMBEJIR-UHFFFAOYSA-N -2 3 353.375 0.882 20 0 FCADHL CC[S@@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000132145286 673382456 /nfs/dbraw/zinc/38/24/56/673382456.db2.gz LZAINTJPJNORDV-SFHVURJKSA-N -2 3 374.234 0.787 20 0 FCADHL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCCCc1nc(=O)[n-][nH]1 ZINC000176257000 1171344248 /nfs/dbraw/zinc/34/42/48/1171344248.db2.gz ZZZGKDKGSBPRKG-UHFFFAOYSA-N -2 3 374.426 0.610 20 0 FCADHL CCCC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000262234611 1178874894 /nfs/dbraw/zinc/87/48/94/1178874894.db2.gz AEXRCJSZJPYKJC-ONGXEEELSA-N -2 3 361.420 0.718 20 0 FCADHL O=C([N-]c1nnco1)c1nnc2n1CCN(C(=O)c1ccc([S-])cc1)C2 ZINC001271316258 1190410281 /nfs/dbraw/zinc/41/02/81/1190410281.db2.gz LYWZNEUEXRQMGA-UHFFFAOYSA-N -2 3 371.382 0.858 20 0 FCADHL CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)c1ncccc1[O-] ZINC000985029538 1190462915 /nfs/dbraw/zinc/46/29/15/1190462915.db2.gz PKJVEMMCNXRVRE-NWDGAFQWSA-N -2 3 357.370 0.706 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[N-]C(=O)c1ccccn1 ZINC000056056785 1196483458 /nfs/dbraw/zinc/48/34/58/1196483458.db2.gz LCVURKOBJAUJRG-UHFFFAOYSA-N -2 3 364.365 0.539 20 0 FCADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C4(O)COC4)cc3)ccc21 ZINC000808121283 1202873532 /nfs/dbraw/zinc/87/35/32/1202873532.db2.gz GOJVTHVHJCNCAT-UHFFFAOYSA-N -2 3 374.374 0.589 20 0 FCADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001175552857 1206305825 /nfs/dbraw/zinc/30/58/25/1206305825.db2.gz PHCDSSIHXGHOPS-GFCCVEGCSA-N -2 3 366.385 0.624 20 0 FCADHL O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1ccccc1-c1nnn[n-]1 ZINC001187008966 1206512324 /nfs/dbraw/zinc/51/23/24/1206512324.db2.gz LGXWODIQOBAQEK-UHFFFAOYSA-N -2 3 370.350 0.551 20 0 FCADHL O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1ccccc1-c1nn[n-]n1 ZINC001187008966 1206512325 /nfs/dbraw/zinc/51/23/25/1206512325.db2.gz LGXWODIQOBAQEK-UHFFFAOYSA-N -2 3 370.350 0.551 20 0 FCADHL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)n1 ZINC000826834972 1218908754 /nfs/dbraw/zinc/90/87/54/1218908754.db2.gz ZDDDMXMAPFAIMZ-AWEZNQCLSA-N -2 3 369.385 0.867 20 0 FCADHL CCOC(=O)c1c(C)cc([O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227213193 1225866302 /nfs/dbraw/zinc/86/63/02/1225866302.db2.gz SPVGRGYBQVSMRT-ZANVPECISA-N -3 3 370.310 0.319 20 0 FCADHL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCc2nc[n-]c(=O)c2C1 ZINC000750795919 1220000610 /nfs/dbraw/zinc/00/06/10/1220000610.db2.gz SVKLMEHZRJBWIV-UHFFFAOYSA-N -2 3 369.406 0.766 20 0 FCADHL Cc1[n-][nH]c(=O)c1NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001298673388 1262936382 /nfs/dbraw/zinc/93/63/82/1262936382.db2.gz HCDPQYAGTDXWLU-UHFFFAOYSA-N -2 3 362.390 0.636 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001580386210 1278211012 /nfs/dbraw/zinc/21/10/12/1278211012.db2.gz PDLJBBMIOJPHIE-ZJUUUORDSA-N -2 3 367.373 0.155 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001580386210 1278211020 /nfs/dbraw/zinc/21/10/20/1278211020.db2.gz PDLJBBMIOJPHIE-ZJUUUORDSA-N -2 3 367.373 0.155 20 0 FCADHL CSc1nc(C)c(CCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(=O)[n-]1 ZINC001338793594 1268096536 /nfs/dbraw/zinc/09/65/36/1268096536.db2.gz RMKOMPOHWAIOBG-SNVBAGLBSA-N -2 3 365.419 0.258 20 0 FCADHL CSc1nc(C)c(CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(=O)[n-]1 ZINC001338793594 1268096549 /nfs/dbraw/zinc/09/65/49/1268096549.db2.gz RMKOMPOHWAIOBG-SNVBAGLBSA-N -2 3 365.419 0.258 20 0 FCADHL CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nn[n-]n1 ZINC001566227216 1269624331 /nfs/dbraw/zinc/62/43/31/1269624331.db2.gz QQCFUOLUIIVHDW-SNVBAGLBSA-N -2 3 374.373 0.414 20 0 FCADHL CC(C)[C@@H](CNC(=O)c1ncccc1[O-])Nc1cncc(-c2nnn[n-]2)n1 ZINC001574060427 1271046541 /nfs/dbraw/zinc/04/65/41/1271046541.db2.gz BNMZMUJJRBVGDY-SNVBAGLBSA-N -2 3 369.389 0.624 20 0 FCADHL CC(C)[C@@H](CNC(=O)c1ncccc1[O-])Nc1cncc(-c2nn[n-]n2)n1 ZINC001574060427 1271046551 /nfs/dbraw/zinc/04/65/51/1271046551.db2.gz BNMZMUJJRBVGDY-SNVBAGLBSA-N -2 3 369.389 0.624 20 0 FCADHL C[C@H](C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1[O-] ZINC001574543904 1271328168 /nfs/dbraw/zinc/32/81/68/1271328168.db2.gz SYXRAKXWXMLWSK-VHSXEESVSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@H](C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1[O-] ZINC001574543904 1271328178 /nfs/dbraw/zinc/32/81/78/1271328178.db2.gz SYXRAKXWXMLWSK-VHSXEESVSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@H](CN(C)c1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ncccc1[O-] ZINC001574820635 1271563523 /nfs/dbraw/zinc/56/35/23/1271563523.db2.gz XFMJHTJABXKGEB-SECBINFHSA-N -2 3 372.364 0.756 20 0 FCADHL C[C@H](CN(C)c1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ncccc1[O-] ZINC001574820635 1271563530 /nfs/dbraw/zinc/56/35/30/1271563530.db2.gz XFMJHTJABXKGEB-SECBINFHSA-N -2 3 372.364 0.756 20 0 FCADHL C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001575336487 1271950280 /nfs/dbraw/zinc/95/02/80/1271950280.db2.gz FKCAUCOQDJARRX-ZJUUUORDSA-N -2 3 354.374 0.403 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575843243 1272516312 /nfs/dbraw/zinc/51/63/12/1272516312.db2.gz JOWCXLZXBGIYSG-INIZCTEOSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1ncccc1[O-] ZINC001576043037 1272764098 /nfs/dbraw/zinc/76/40/98/1272764098.db2.gz XSKOJXVAZDRCSR-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1ncccc1[O-] ZINC001576043037 1272764106 /nfs/dbraw/zinc/76/41/06/1272764106.db2.gz XSKOJXVAZDRCSR-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([O-])cn1 ZINC001576367009 1273189148 /nfs/dbraw/zinc/18/91/48/1273189148.db2.gz WRGUZPILFGZHNP-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([O-])cn1 ZINC001576367009 1273189158 /nfs/dbraw/zinc/18/91/58/1273189158.db2.gz WRGUZPILFGZHNP-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL CCc1cc(=O)n2[n-]c(NC(=O)c3ccsc3-c3nnn[n-]3)nc2n1 ZINC001578495249 1275915739 /nfs/dbraw/zinc/91/57/39/1275915739.db2.gz HQUJRKGFUALHCJ-UHFFFAOYSA-N -2 3 357.359 0.474 20 0 FCADHL CN(c1ccc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579270861 1277071189 /nfs/dbraw/zinc/07/11/89/1277071189.db2.gz QTIPJWNGRKYNHB-LBPRGKRZSA-N -2 3 366.385 0.713 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001579885555 1277950267 /nfs/dbraw/zinc/95/02/67/1277950267.db2.gz LOFWLEOQCVJZQQ-VIFPVBQESA-N -2 3 373.373 0.571 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(N(C)[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001581054884 1279300008 /nfs/dbraw/zinc/30/00/08/1279300008.db2.gz KNGAAYKRUPWUOC-LLVKDONJSA-N -2 3 368.401 0.925 20 0 FCADHL CC(C)COCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001603303906 1287351686 /nfs/dbraw/zinc/35/16/86/1287351686.db2.gz XZYAIAKGXWYJDF-UHFFFAOYSA-N -2 3 353.404 0.734 20 0 FCADHL CC(C)COCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001603303906 1287351687 /nfs/dbraw/zinc/35/16/87/1287351687.db2.gz XZYAIAKGXWYJDF-UHFFFAOYSA-N -2 3 353.404 0.734 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)n1cccc1 ZINC001603448020 1287374811 /nfs/dbraw/zinc/37/48/11/1287374811.db2.gz CWMUBPBXDNKVHV-SNVBAGLBSA-N -2 3 361.387 0.519 20 0 FCADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)n1cccc1 ZINC001603448020 1287374812 /nfs/dbraw/zinc/37/48/12/1287374812.db2.gz CWMUBPBXDNKVHV-SNVBAGLBSA-N -2 3 361.387 0.519 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2ncccc2-c2nn[n-]n2)c1[O-] ZINC001581390644 1279820354 /nfs/dbraw/zinc/82/03/54/1279820354.db2.gz ALEKSMNHIFPRHF-SFYZADRCSA-N -2 3 357.378 0.618 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)c1[O-] ZINC001581392071 1279824002 /nfs/dbraw/zinc/82/40/02/1279824002.db2.gz UZPRXHFRQMHNFY-VIFPVBQESA-N -2 3 372.364 0.752 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)c1[O-] ZINC001581392071 1279824008 /nfs/dbraw/zinc/82/40/08/1279824008.db2.gz UZPRXHFRQMHNFY-VIFPVBQESA-N -2 3 372.364 0.752 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNc3ncccc3-c3nn[n-]n3)C2)c1[O-] ZINC001581393013 1279831217 /nfs/dbraw/zinc/83/12/17/1279831217.db2.gz YRIRDRVGSMQDPG-MGCOHNPYSA-N -2 3 369.389 0.619 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nc1 ZINC001603508263 1287394479 /nfs/dbraw/zinc/39/44/79/1287394479.db2.gz NQAYINHSVAEKNW-SNVBAGLBSA-N -2 3 354.374 0.935 20 0 FCADHL C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nc1 ZINC001603508263 1287394483 /nfs/dbraw/zinc/39/44/83/1287394483.db2.gz NQAYINHSVAEKNW-SNVBAGLBSA-N -2 3 354.374 0.935 20 0 FCADHL Cc1nsc(N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])c1-c1nnn[n-]1 ZINC001581659603 1280371331 /nfs/dbraw/zinc/37/13/31/1280371331.db2.gz NNEWNMNTSBTIRS-QMMMGPOBSA-N -2 3 374.430 0.987 20 0 FCADHL Cc1nsc(N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])c1-c1nn[n-]n1 ZINC001581659603 1280371335 /nfs/dbraw/zinc/37/13/35/1280371335.db2.gz NNEWNMNTSBTIRS-QMMMGPOBSA-N -2 3 374.430 0.987 20 0 FCADHL O=C(CCCn1c(=O)[n-][nH]c1=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001582048157 1280968783 /nfs/dbraw/zinc/96/87/83/1280968783.db2.gz AAYCMGLROOJJJA-UHFFFAOYSA-N -2 3 350.364 0.028 20 0 FCADHL C[C@@](O)(CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)[O-] ZINC001603690615 1287471445 /nfs/dbraw/zinc/47/14/45/1287471445.db2.gz NBOQQYJZGRILTP-CYBMUJFWSA-N -2 3 372.288 0.425 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001603752849 1287487180 /nfs/dbraw/zinc/48/71/80/1287487180.db2.gz ZJQYGBXGHWPVGC-AWEZNQCLSA-N -2 3 369.378 0.881 20 0 FCADHL O=C(NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ncccc1[O-] ZINC001582363559 1281416406 /nfs/dbraw/zinc/41/64/06/1281416406.db2.gz VHGQOLXERBINIG-SNVBAGLBSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ncccc1[O-] ZINC001582363559 1281416410 /nfs/dbraw/zinc/41/64/10/1281416410.db2.gz VHGQOLXERBINIG-SNVBAGLBSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ncccc1[O-] ZINC001582394389 1281455851 /nfs/dbraw/zinc/45/58/51/1281455851.db2.gz IPIKBSFRFGUCJE-UHFFFAOYSA-N -2 3 353.346 0.132 20 0 FCADHL O=C(NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ncccc1[O-] ZINC001582394389 1281455855 /nfs/dbraw/zinc/45/58/55/1281455855.db2.gz IPIKBSFRFGUCJE-UHFFFAOYSA-N -2 3 353.346 0.132 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001603844195 1287516514 /nfs/dbraw/zinc/51/65/14/1287516514.db2.gz BOPYVGWJCJQWIE-GXSJLCMTSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001603844195 1287516517 /nfs/dbraw/zinc/51/65/17/1287516517.db2.gz BOPYVGWJCJQWIE-GXSJLCMTSA-N -2 3 351.388 0.598 20 0 FCADHL O=C(NCCn1cnc(-c2nnn[n-]2)n1)NCc1ccc([O-])c(Cl)c1 ZINC001582528915 1281713158 /nfs/dbraw/zinc/71/31/58/1281713158.db2.gz SUPFLZFBSJAKPL-UHFFFAOYSA-N -2 3 363.769 0.317 20 0 FCADHL O=C(NCc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001582547619 1281738416 /nfs/dbraw/zinc/73/84/16/1281738416.db2.gz GEFFUBRKHQJDJZ-SNVBAGLBSA-N -2 3 370.377 0.175 20 0 FCADHL O=C(NCc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001582547619 1281738421 /nfs/dbraw/zinc/73/84/21/1281738421.db2.gz GEFFUBRKHQJDJZ-SNVBAGLBSA-N -2 3 370.377 0.175 20 0 FCADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1c[n-]n2c1nccc2=O ZINC001582547742 1281739466 /nfs/dbraw/zinc/73/94/66/1281739466.db2.gz MGONVFBBNPDLEE-UHFFFAOYSA-N -2 3 354.305 0.272 20 0 FCADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1c[n-]n2c1nccc2=O ZINC001582547742 1281739470 /nfs/dbraw/zinc/73/94/70/1281739470.db2.gz MGONVFBBNPDLEE-UHFFFAOYSA-N -2 3 354.305 0.272 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582608304 1281800332 /nfs/dbraw/zinc/80/03/32/1281800332.db2.gz DZFSVKISBWUOLC-XYPYZODXSA-N -2 3 366.385 0.983 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582608304 1281800333 /nfs/dbraw/zinc/80/03/33/1281800333.db2.gz DZFSVKISBWUOLC-XYPYZODXSA-N -2 3 366.385 0.983 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001603939455 1287539177 /nfs/dbraw/zinc/53/91/77/1287539177.db2.gz UTCSWQSGRXOBDZ-BRDIYROLSA-N -2 3 373.416 0.179 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001582751554 1281976100 /nfs/dbraw/zinc/97/61/00/1281976100.db2.gz LJSGPXQTDBEFCC-UHFFFAOYSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001582751554 1281976104 /nfs/dbraw/zinc/97/61/04/1281976104.db2.gz LJSGPXQTDBEFCC-UHFFFAOYSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001582751703 1281976437 /nfs/dbraw/zinc/97/64/37/1281976437.db2.gz SDVCGYZMBVVHOB-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001582751703 1281976439 /nfs/dbraw/zinc/97/64/39/1281976439.db2.gz SDVCGYZMBVVHOB-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL O=c1cc(CN2CC[C@H](C(F)(F)F)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814694 1282036850 /nfs/dbraw/zinc/03/68/50/1282036850.db2.gz RHHYXTYCVYXGMT-ZETCQYMHSA-N -2 3 354.296 0.999 20 0 FCADHL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588883517 1282723039 /nfs/dbraw/zinc/72/30/39/1282723039.db2.gz GDVMYODHFINBEA-UHFFFAOYSA-N -2 3 373.398 0.751 20 0 FCADHL CC(=O)Nc1ncccc1[N-]S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001588886267 1282723134 /nfs/dbraw/zinc/72/31/34/1282723134.db2.gz ANVKJVBEGVYGOW-UHFFFAOYSA-N -2 3 374.386 0.724 20 0 FCADHL CC(=O)Nc1ncccc1[N-]S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001588886267 1282723139 /nfs/dbraw/zinc/72/31/39/1282723139.db2.gz ANVKJVBEGVYGOW-UHFFFAOYSA-N -2 3 374.386 0.724 20 0 FCADHL C[C@@H](C(=O)[O-])C1(NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589025559 1282778700 /nfs/dbraw/zinc/77/87/00/1282778700.db2.gz YTLGUJQQFIFGSQ-VIFPVBQESA-N -2 3 351.388 0.539 20 0 FCADHL CC(C)(C)OCCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589193842 1282815838 /nfs/dbraw/zinc/81/58/38/1282815838.db2.gz GJZOTRCEXRZXOW-UHFFFAOYSA-N -2 3 368.419 0.662 20 0 FCADHL CC(C)(C)OCCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589193842 1282815849 /nfs/dbraw/zinc/81/58/49/1282815849.db2.gz GJZOTRCEXRZXOW-UHFFFAOYSA-N -2 3 368.419 0.662 20 0 FCADHL CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001589442764 1282883894 /nfs/dbraw/zinc/88/38/94/1282883894.db2.gz YFFVAMOYGWFPLQ-CYBMUJFWSA-N -2 3 374.401 0.298 20 0 FCADHL CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589442764 1282883903 /nfs/dbraw/zinc/88/39/03/1282883903.db2.gz YFFVAMOYGWFPLQ-CYBMUJFWSA-N -2 3 374.401 0.298 20 0 FCADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001589753248 1282979586 /nfs/dbraw/zinc/97/95/86/1282979586.db2.gz PJANHAUXSYKLRP-HNNXBMFYSA-N -2 3 364.362 0.611 20 0 FCADHL CC(C)OC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589750082 1282979810 /nfs/dbraw/zinc/97/98/10/1282979810.db2.gz VBZURNAMULBROO-JTQLQIEISA-N -2 3 373.366 0.162 20 0 FCADHL C[C@@H](CCCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1[O-] ZINC001589812833 1283041088 /nfs/dbraw/zinc/04/10/88/1283041088.db2.gz CRRPWXMUFFEYEP-JTQLQIEISA-N -2 3 369.389 0.768 20 0 FCADHL C[C@@H](CCCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1[O-] ZINC001589812833 1283041102 /nfs/dbraw/zinc/04/11/02/1283041102.db2.gz CRRPWXMUFFEYEP-JTQLQIEISA-N -2 3 369.389 0.768 20 0 FCADHL C[C@@H](CCCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1[O-] ZINC001589820783 1283057571 /nfs/dbraw/zinc/05/75/71/1283057571.db2.gz MOYUELLBMOLTIB-JTQLQIEISA-N -2 3 369.389 0.768 20 0 FCADHL C[C@@H](CCCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncccc1[O-] ZINC001589820783 1283057583 /nfs/dbraw/zinc/05/75/83/1283057583.db2.gz MOYUELLBMOLTIB-JTQLQIEISA-N -2 3 369.389 0.768 20 0 FCADHL C[C@H](CCCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1[O-] ZINC001589820784 1283057913 /nfs/dbraw/zinc/05/79/13/1283057913.db2.gz MOYUELLBMOLTIB-SNVBAGLBSA-N -2 3 369.389 0.768 20 0 FCADHL C[C@H](CCCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncccc1[O-] ZINC001589820784 1283057920 /nfs/dbraw/zinc/05/79/20/1283057920.db2.gz MOYUELLBMOLTIB-SNVBAGLBSA-N -2 3 369.389 0.768 20 0 FCADHL C[C@@H](CN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)[O-] ZINC001589836110 1283076466 /nfs/dbraw/zinc/07/64/66/1283076466.db2.gz JSOFXVAMVQCFAE-ZETCQYMHSA-N -2 3 366.765 0.638 20 0 FCADHL C[C@@H](CN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)[O-] ZINC001589836110 1283076473 /nfs/dbraw/zinc/07/64/73/1283076473.db2.gz JSOFXVAMVQCFAE-ZETCQYMHSA-N -2 3 366.765 0.638 20 0 FCADHL C[C@@H](CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001589845485 1283078384 /nfs/dbraw/zinc/07/83/84/1283078384.db2.gz IMORFABOCRHEMM-ZETCQYMHSA-N -2 3 359.795 0.861 20 0 FCADHL C[C@@H](CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001589845485 1283078389 /nfs/dbraw/zinc/07/83/89/1283078389.db2.gz IMORFABOCRHEMM-ZETCQYMHSA-N -2 3 359.795 0.861 20 0 FCADHL C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]S(=O)(=O)c1cccn1C ZINC001589897906 1283113581 /nfs/dbraw/zinc/11/35/81/1283113581.db2.gz QAIPOYSVWURASY-LLVKDONJSA-N -2 3 374.426 0.889 20 0 FCADHL C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)c1cccn1C ZINC001589897906 1283113584 /nfs/dbraw/zinc/11/35/84/1283113584.db2.gz QAIPOYSVWURASY-LLVKDONJSA-N -2 3 374.426 0.889 20 0 FCADHL C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC001589898153 1283114703 /nfs/dbraw/zinc/11/47/03/1283114703.db2.gz VWXAUGOLWWVJAR-MFKMUULPSA-N -2 3 365.415 0.280 20 0 FCADHL C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC001589898153 1283114705 /nfs/dbraw/zinc/11/47/05/1283114705.db2.gz VWXAUGOLWWVJAR-MFKMUULPSA-N -2 3 365.415 0.280 20 0 FCADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001589903792 1283115591 /nfs/dbraw/zinc/11/55/91/1283115591.db2.gz DYQMZYFHSAKBMG-UHFFFAOYSA-N -2 3 350.187 0.865 20 0 FCADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001589903792 1283115600 /nfs/dbraw/zinc/11/56/00/1283115600.db2.gz DYQMZYFHSAKBMG-UHFFFAOYSA-N -2 3 350.187 0.865 20 0 FCADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589903963 1283115768 /nfs/dbraw/zinc/11/57/68/1283115768.db2.gz GSHIQEKFSPBGAA-UHFFFAOYSA-N -2 3 351.175 0.260 20 0 FCADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589903963 1283115772 /nfs/dbraw/zinc/11/57/72/1283115772.db2.gz GSHIQEKFSPBGAA-UHFFFAOYSA-N -2 3 351.175 0.260 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCCCO1 ZINC001590069210 1283199995 /nfs/dbraw/zinc/19/99/95/1283199995.db2.gz VYROLUIRJMMUPL-AWEZNQCLSA-N -2 3 351.388 0.631 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCCCO1 ZINC001590069210 1283199997 /nfs/dbraw/zinc/19/99/97/1283199997.db2.gz VYROLUIRJMMUPL-AWEZNQCLSA-N -2 3 351.388 0.631 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CCOC1 ZINC001590069401 1283200078 /nfs/dbraw/zinc/20/00/78/1283200078.db2.gz YFDSZKHRYQEHPS-AWEZNQCLSA-N -2 3 369.378 0.378 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCOC1 ZINC001590069401 1283200084 /nfs/dbraw/zinc/20/00/84/1283200084.db2.gz YFDSZKHRYQEHPS-AWEZNQCLSA-N -2 3 369.378 0.378 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC001590069093 1283200175 /nfs/dbraw/zinc/20/01/75/1283200175.db2.gz UVMKRPOBLZJSAU-AWEZNQCLSA-N -2 3 351.388 0.239 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001590069093 1283200178 /nfs/dbraw/zinc/20/01/78/1283200178.db2.gz UVMKRPOBLZJSAU-AWEZNQCLSA-N -2 3 351.388 0.239 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001590071082 1283200768 /nfs/dbraw/zinc/20/07/68/1283200768.db2.gz GNCQCOLOSRQAQR-AWEZNQCLSA-N -2 3 351.388 0.742 20 0 FCADHL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001590071082 1283200772 /nfs/dbraw/zinc/20/07/72/1283200772.db2.gz GNCQCOLOSRQAQR-AWEZNQCLSA-N -2 3 351.388 0.742 20 0 FCADHL CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001590086255 1283208245 /nfs/dbraw/zinc/20/82/45/1283208245.db2.gz YKKJZPAEODPVMA-LBPRGKRZSA-N -2 3 365.415 0.423 20 0 FCADHL CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001590086255 1283208256 /nfs/dbraw/zinc/20/82/56/1283208256.db2.gz YKKJZPAEODPVMA-LBPRGKRZSA-N -2 3 365.415 0.423 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@@H]1C(=O)[O-] ZINC001590098970 1283212221 /nfs/dbraw/zinc/21/22/21/1283212221.db2.gz ARZXYNUZLTURSA-LLVKDONJSA-N -2 3 369.378 0.880 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@@H]1C(=O)[O-] ZINC001590098970 1283212230 /nfs/dbraw/zinc/21/22/30/1283212230.db2.gz ARZXYNUZLTURSA-LLVKDONJSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590247016 1283377334 /nfs/dbraw/zinc/37/73/34/1283377334.db2.gz IBVPENVFAJJMIJ-NXEZZACHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590247016 1283377341 /nfs/dbraw/zinc/37/73/41/1283377341.db2.gz IBVPENVFAJJMIJ-NXEZZACHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001590274978 1283401593 /nfs/dbraw/zinc/40/15/93/1283401593.db2.gz UBBIASGYRWXTEP-GZMMTYOYSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001590274978 1283401602 /nfs/dbraw/zinc/40/16/02/1283401602.db2.gz UBBIASGYRWXTEP-GZMMTYOYSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@@H](C(=O)[O-])C1 ZINC001590275647 1283402362 /nfs/dbraw/zinc/40/23/62/1283402362.db2.gz FHHZHFSYQLVCRC-LDYMZIIASA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@@H](C(=O)[O-])C1 ZINC001590275647 1283402368 /nfs/dbraw/zinc/40/23/68/1283402368.db2.gz FHHZHFSYQLVCRC-LDYMZIIASA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1CC(=O)[O-] ZINC001590275955 1283403656 /nfs/dbraw/zinc/40/36/56/1283403656.db2.gz HQIGFHONLCFWQA-PWSUYJOCSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1CC(=O)[O-] ZINC001590275955 1283403658 /nfs/dbraw/zinc/40/36/58/1283403658.db2.gz HQIGFHONLCFWQA-PWSUYJOCSA-N -2 3 365.415 0.988 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@@H](C(=O)[O-])C1 ZINC001590276438 1283403733 /nfs/dbraw/zinc/40/37/33/1283403733.db2.gz OAWNAOKLIMCEEN-GZMMTYOYSA-N -2 3 352.376 0.136 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@@H](C(=O)[O-])C1 ZINC001590276438 1283403739 /nfs/dbraw/zinc/40/37/39/1283403739.db2.gz OAWNAOKLIMCEEN-GZMMTYOYSA-N -2 3 352.376 0.136 20 0 FCADHL CC[C@@](C)(CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001590382224 1283508539 /nfs/dbraw/zinc/50/85/39/1283508539.db2.gz QHLKYTUJLHUQFH-AWEZNQCLSA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@@H](CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590438449 1283537635 /nfs/dbraw/zinc/53/76/35/1283537635.db2.gz CVRMPDLSQIZXNT-QMMMGPOBSA-N -2 3 357.367 0.785 20 0 FCADHL CCCC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590613264 1283650511 /nfs/dbraw/zinc/65/05/11/1283650511.db2.gz XGDLSNLERURHLZ-LLVKDONJSA-N -2 3 357.367 0.928 20 0 FCADHL CCCC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590613264 1283650526 /nfs/dbraw/zinc/65/05/26/1283650526.db2.gz XGDLSNLERURHLZ-LLVKDONJSA-N -2 3 357.367 0.928 20 0 FCADHL CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)[nH]n1 ZINC001590657380 1283707573 /nfs/dbraw/zinc/70/75/73/1283707573.db2.gz NXSFNIQJHMMUHD-UHFFFAOYSA-N -2 3 361.387 0.661 20 0 FCADHL CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)[nH]n1 ZINC001590657380 1283707582 /nfs/dbraw/zinc/70/75/82/1283707582.db2.gz NXSFNIQJHMMUHD-UHFFFAOYSA-N -2 3 361.387 0.661 20 0 FCADHL CCOC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CCCC1 ZINC001590784910 1283841289 /nfs/dbraw/zinc/84/12/89/1283841289.db2.gz GWULNQNZJDFYOU-UHFFFAOYSA-N -2 3 366.403 0.416 20 0 FCADHL CCOC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CCCC1 ZINC001590784910 1283841296 /nfs/dbraw/zinc/84/12/96/1283841296.db2.gz GWULNQNZJDFYOU-UHFFFAOYSA-N -2 3 366.403 0.416 20 0 FCADHL CCO[N-]C(=O)CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001590818538 1283899925 /nfs/dbraw/zinc/89/99/25/1283899925.db2.gz DQLZMSPWCPTUMP-CYBMUJFWSA-N -2 3 359.390 0.019 20 0 FCADHL CC[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C(=O)[O-] ZINC001590868238 1283938361 /nfs/dbraw/zinc/93/83/61/1283938361.db2.gz YVIOVMGFEUEEIV-VIFPVBQESA-N -2 3 363.378 0.341 20 0 FCADHL CC[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C(=O)[O-] ZINC001590868238 1283938366 /nfs/dbraw/zinc/93/83/66/1283938366.db2.gz YVIOVMGFEUEEIV-VIFPVBQESA-N -2 3 363.378 0.341 20 0 FCADHL CCc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001590885858 1283948967 /nfs/dbraw/zinc/94/89/67/1283948967.db2.gz MBINTAWGSUOZLC-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CCc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001590885858 1283948976 /nfs/dbraw/zinc/94/89/76/1283948976.db2.gz MBINTAWGSUOZLC-UHFFFAOYSA-N -2 3 358.383 0.943 20 0 FCADHL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC001591004676 1284067376 /nfs/dbraw/zinc/06/73/76/1284067376.db2.gz HUOHHLTXYLDYCI-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC001591004676 1284067382 /nfs/dbraw/zinc/06/73/82/1284067382.db2.gz HUOHHLTXYLDYCI-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL CN(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001591022996 1284080249 /nfs/dbraw/zinc/08/02/49/1284080249.db2.gz HXABDJFLYVMARD-UHFFFAOYSA-N -2 3 364.431 0.601 20 0 FCADHL CN(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001591022996 1284080259 /nfs/dbraw/zinc/08/02/59/1284080259.db2.gz HXABDJFLYVMARD-UHFFFAOYSA-N -2 3 364.431 0.601 20 0 FCADHL CNC(=O)Cc1ccccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001591209463 1284340375 /nfs/dbraw/zinc/34/03/75/1284340375.db2.gz NNFGXXSVVALMEB-UHFFFAOYSA-N -2 3 373.398 0.351 20 0 FCADHL CNC(=O)Cc1ccccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001591209463 1284340380 /nfs/dbraw/zinc/34/03/80/1284340380.db2.gz NNFGXXSVVALMEB-UHFFFAOYSA-N -2 3 373.398 0.351 20 0 FCADHL COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)[O-])C1 ZINC001591252560 1284407501 /nfs/dbraw/zinc/40/75/01/1284407501.db2.gz LMGSJUIAXWYDKH-PWSUYJOCSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001591271485 1284425938 /nfs/dbraw/zinc/42/59/38/1284425938.db2.gz KAZITSHTTQOKLJ-UHFFFAOYSA-N -2 3 374.382 0.778 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1nc(-c2nnn[n-]2)cs1 ZINC001591305719 1284456948 /nfs/dbraw/zinc/45/69/48/1284456948.db2.gz DLXSWMGYNOITAF-UHFFFAOYSA-N -2 3 370.372 0.181 20 0 FCADHL COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1nc(-c2nn[n-]n2)cs1 ZINC001591305719 1284456953 /nfs/dbraw/zinc/45/69/53/1284456953.db2.gz DLXSWMGYNOITAF-UHFFFAOYSA-N -2 3 370.372 0.181 20 0 FCADHL COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001591306785 1284458961 /nfs/dbraw/zinc/45/89/61/1284458961.db2.gz VDKXICLHTKMULU-UHFFFAOYSA-N -2 3 374.382 0.579 20 0 FCADHL COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001591306785 1284458965 /nfs/dbraw/zinc/45/89/65/1284458965.db2.gz VDKXICLHTKMULU-UHFFFAOYSA-N -2 3 374.382 0.579 20 0 FCADHL CO[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001591363127 1284500151 /nfs/dbraw/zinc/50/01/51/1284500151.db2.gz SRHZKEFWMNQROW-WBMJQRKESA-N -2 3 361.358 0.336 20 0 FCADHL COCCO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001591439036 1284595092 /nfs/dbraw/zinc/59/50/92/1284595092.db2.gz AABPJNZJTYQAOA-UHFFFAOYSA-N -2 3 374.279 0.518 20 0 FCADHL COCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001591439036 1284595100 /nfs/dbraw/zinc/59/51/00/1284595100.db2.gz AABPJNZJTYQAOA-UHFFFAOYSA-N -2 3 374.279 0.518 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001591495523 1284673575 /nfs/dbraw/zinc/67/35/75/1284673575.db2.gz RHXKHFPWGBUZCF-UHFFFAOYSA-N -3 3 364.343 0.702 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001591505412 1284690446 /nfs/dbraw/zinc/69/04/46/1284690446.db2.gz HCHRNQQDEIIQTE-SECBINFHSA-N -2 3 353.360 0.113 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001591505412 1284690458 /nfs/dbraw/zinc/69/04/58/1284690458.db2.gz HCHRNQQDEIIQTE-SECBINFHSA-N -2 3 353.360 0.113 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC001591565715 1284743078 /nfs/dbraw/zinc/74/30/78/1284743078.db2.gz XYKDYZUEEXCAFK-NSHDSACASA-N -2 3 362.346 0.039 20 0 FCADHL COc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001591583334 1284751842 /nfs/dbraw/zinc/75/18/42/1284751842.db2.gz ZHQDDJLZFZLLSY-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL COc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001591583334 1284751852 /nfs/dbraw/zinc/75/18/52/1284751852.db2.gz ZHQDDJLZFZLLSY-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591647750 1284777959 /nfs/dbraw/zinc/77/79/59/1284777959.db2.gz GLRPIIXRVDQNHJ-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591647750 1284777968 /nfs/dbraw/zinc/77/79/68/1284777968.db2.gz GLRPIIXRVDQNHJ-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL CS[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001591687064 1284830578 /nfs/dbraw/zinc/83/05/78/1284830578.db2.gz VQGUPWCTVLHHSB-SSDOTTSWSA-N -2 3 359.408 0.703 20 0 FCADHL CS[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001591687064 1284830582 /nfs/dbraw/zinc/83/05/82/1284830582.db2.gz VQGUPWCTVLHHSB-SSDOTTSWSA-N -2 3 359.408 0.703 20 0 FCADHL CSCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001591701158 1284837774 /nfs/dbraw/zinc/83/77/74/1284837774.db2.gz GBSVCWKDGUBOFJ-JTQLQIEISA-N -2 3 357.417 0.351 20 0 FCADHL CSCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001591701158 1284837785 /nfs/dbraw/zinc/83/77/85/1284837785.db2.gz GBSVCWKDGUBOFJ-JTQLQIEISA-N -2 3 357.417 0.351 20 0 FCADHL CSCCO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001591701251 1284838400 /nfs/dbraw/zinc/83/84/00/1284838400.db2.gz JEVUXFKSMPDJJY-UHFFFAOYSA-N -2 3 356.795 0.869 20 0 FCADHL CSCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001591701251 1284838413 /nfs/dbraw/zinc/83/84/13/1284838413.db2.gz JEVUXFKSMPDJJY-UHFFFAOYSA-N -2 3 356.795 0.869 20 0 FCADHL CSCC[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001591700822 1284838794 /nfs/dbraw/zinc/83/87/94/1284838794.db2.gz WAWCUHFMISRQQM-JTQLQIEISA-N -2 3 357.417 0.351 20 0 FCADHL CSc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1-c1nnn[n-]1 ZINC001591709895 1284849772 /nfs/dbraw/zinc/84/97/72/1284849772.db2.gz GGJPYGCTHWPXDC-MNOVXSKESA-N -2 3 363.399 0.837 20 0 FCADHL CSc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1-c1nn[n-]n1 ZINC001591709895 1284849780 /nfs/dbraw/zinc/84/97/80/1284849780.db2.gz GGJPYGCTHWPXDC-MNOVXSKESA-N -2 3 363.399 0.837 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001591756702 1284884706 /nfs/dbraw/zinc/88/47/06/1284884706.db2.gz ICGRCTIUXQRIFI-ZJUUUORDSA-N -2 3 367.373 0.155 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001591756702 1284884716 /nfs/dbraw/zinc/88/47/16/1284884716.db2.gz ICGRCTIUXQRIFI-ZJUUUORDSA-N -2 3 367.373 0.155 20 0 FCADHL Cc1c(-c2nnn[n-]2)c([N-]S(=O)(=O)CCCC2CCOCC2)nn1C ZINC001591799340 1284914199 /nfs/dbraw/zinc/91/41/99/1284914199.db2.gz OHTFAFZFHFMXST-UHFFFAOYSA-N -2 3 369.451 0.857 20 0 FCADHL Cc1c(-c2nn[n-]n2)c([N-]S(=O)(=O)CCCC2CCOCC2)nn1C ZINC001591799340 1284914203 /nfs/dbraw/zinc/91/42/03/1284914203.db2.gz OHTFAFZFHFMXST-UHFFFAOYSA-N -2 3 369.451 0.857 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC001591863305 1284955583 /nfs/dbraw/zinc/95/55/83/1284955583.db2.gz OXZKYNCHWZNZFX-LLVKDONJSA-N -2 3 365.415 0.661 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC001591863305 1284955591 /nfs/dbraw/zinc/95/55/91/1284955591.db2.gz OXZKYNCHWZNZFX-LLVKDONJSA-N -2 3 365.415 0.661 20 0 FCADHL Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)cnn1C ZINC001591863465 1284955739 /nfs/dbraw/zinc/95/57/39/1284955739.db2.gz WTBFIECLTYRMLQ-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)cnn1C ZINC001591863465 1284955748 /nfs/dbraw/zinc/95/57/48/1284955748.db2.gz WTBFIECLTYRMLQ-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cc1cc(S(=O)(=O)N2C[C@@H]3C[C@@]2(C(=O)[O-])[C@@H]3C)ccc1-c1nnn[n-]1 ZINC001592064407 1285102698 /nfs/dbraw/zinc/10/26/98/1285102698.db2.gz ACHUKUSUZWCZAX-FTGAXOIBSA-N -2 3 363.399 0.659 20 0 FCADHL Cc1cc(S(=O)(=O)N2C[C@@H]3C[C@@]2(C(=O)[O-])[C@@H]3C)ccc1-c1nn[n-]n1 ZINC001592064407 1285102707 /nfs/dbraw/zinc/10/27/07/1285102707.db2.gz ACHUKUSUZWCZAX-FTGAXOIBSA-N -2 3 363.399 0.659 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@H]1C ZINC001592109619 1285143114 /nfs/dbraw/zinc/14/31/14/1285143114.db2.gz UFXZILNYVZXOLJ-ZYHUDNBSSA-N -2 3 365.415 0.653 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@H]1C ZINC001592109619 1285143121 /nfs/dbraw/zinc/14/31/21/1285143121.db2.gz UFXZILNYVZXOLJ-ZYHUDNBSSA-N -2 3 365.415 0.653 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001592109370 1285143598 /nfs/dbraw/zinc/14/35/98/1285143598.db2.gz HWRUMPUBNKIVNY-NSHDSACASA-N -2 3 351.388 0.803 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1 ZINC001592109519 1285144403 /nfs/dbraw/zinc/14/44/03/1285144403.db2.gz PHYIRSQWJUXQEY-NSHDSACASA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1 ZINC001592109519 1285144407 /nfs/dbraw/zinc/14/44/07/1285144407.db2.gz PHYIRSQWJUXQEY-NSHDSACASA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(-c2nnn[n-]2)c1 ZINC001592189435 1285173677 /nfs/dbraw/zinc/17/36/77/1285173677.db2.gz CBWBYFGSZVAAHM-MNOVXSKESA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(-c2nn[n-]n2)c1 ZINC001592189435 1285173685 /nfs/dbraw/zinc/17/36/85/1285173685.db2.gz CBWBYFGSZVAAHM-MNOVXSKESA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1 ZINC001592214766 1285186579 /nfs/dbraw/zinc/18/65/79/1285186579.db2.gz VITBVZYUBHUHIA-VIFPVBQESA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1 ZINC001592214766 1285186581 /nfs/dbraw/zinc/18/65/81/1285186581.db2.gz VITBVZYUBHUHIA-VIFPVBQESA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1F ZINC001592220785 1285187857 /nfs/dbraw/zinc/18/78/57/1285187857.db2.gz NMDNHOGBVDWLEO-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1F ZINC001592220785 1285187862 /nfs/dbraw/zinc/18/78/62/1285187862.db2.gz NMDNHOGBVDWLEO-UHFFFAOYSA-N -2 3 362.346 0.828 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592234186 1285191120 /nfs/dbraw/zinc/19/11/20/1285191120.db2.gz QINGUFYGWXNEAT-NSHDSACASA-N -2 3 374.401 0.977 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1-c1nn[n-]n1 ZINC001592234186 1285191125 /nfs/dbraw/zinc/19/11/25/1285191125.db2.gz QINGUFYGWXNEAT-NSHDSACASA-N -2 3 374.401 0.977 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC([C@@H](C)C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001592239750 1285195181 /nfs/dbraw/zinc/19/51/81/1285195181.db2.gz SLBLVEAEBAXDLI-SECBINFHSA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC([C@@H](C)C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001592239750 1285195185 /nfs/dbraw/zinc/19/51/85/1285195185.db2.gz SLBLVEAEBAXDLI-SECBINFHSA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cccc(S(=O)(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001592240224 1285196350 /nfs/dbraw/zinc/19/63/50/1285196350.db2.gz YPJQCZZNYLXUEN-BDAKNGLRSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(S(=O)(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001592240224 1285196358 /nfs/dbraw/zinc/19/63/58/1285196358.db2.gz YPJQCZZNYLXUEN-BDAKNGLRSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1ncc(S(=O)(=O)N(CC(=O)[O-])C2CCCC2)cc1-c1nnn[n-]1 ZINC001592412196 1285327305 /nfs/dbraw/zinc/32/73/05/1285327305.db2.gz REHVMDXEKOFNNL-UHFFFAOYSA-N -2 3 366.403 0.588 20 0 FCADHL Cc1ncc(S(=O)(=O)N(CC(=O)[O-])C2CCCC2)cc1-c1nn[n-]n1 ZINC001592412196 1285327313 /nfs/dbraw/zinc/32/73/13/1285327313.db2.gz REHVMDXEKOFNNL-UHFFFAOYSA-N -2 3 366.403 0.588 20 0 FCADHL Cc1ncc(S(=O)(=O)N(CCC(=O)[O-])CC(C)C)cc1-c1nnn[n-]1 ZINC001592412717 1285329823 /nfs/dbraw/zinc/32/98/23/1285329823.db2.gz YIYRMWBWSMABKI-UHFFFAOYSA-N -2 3 368.419 0.692 20 0 FCADHL Cc1ncc(S(=O)(=O)N(CCC(=O)[O-])CC(C)C)cc1-c1nn[n-]n1 ZINC001592412717 1285329830 /nfs/dbraw/zinc/32/98/30/1285329830.db2.gz YIYRMWBWSMABKI-UHFFFAOYSA-N -2 3 368.419 0.692 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)cc1-c1nnn[n-]1 ZINC001592414519 1285334626 /nfs/dbraw/zinc/33/46/26/1285334626.db2.gz IMODPOZSSRXRKD-UHFFFAOYSA-N -2 3 370.345 0.833 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)cc1-c1nn[n-]n1 ZINC001592414519 1285334633 /nfs/dbraw/zinc/33/46/33/1285334633.db2.gz IMODPOZSSRXRKD-UHFFFAOYSA-N -2 3 370.345 0.833 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1-c1nnn[n-]1 ZINC001592415272 1285337780 /nfs/dbraw/zinc/33/77/80/1285337780.db2.gz SXYMOWPEKJOGHO-SNVBAGLBSA-N -2 3 354.392 0.348 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1-c1nn[n-]n1 ZINC001592415272 1285337790 /nfs/dbraw/zinc/33/77/90/1285337790.db2.gz SXYMOWPEKJOGHO-SNVBAGLBSA-N -2 3 354.392 0.348 20 0 FCADHL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC001592435995 1285368099 /nfs/dbraw/zinc/36/80/99/1285368099.db2.gz KZCBRVWWLGDZSJ-UHFFFAOYSA-N -2 3 362.419 0.775 20 0 FCADHL CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C(=O)[O-])cnn1C ZINC001604788344 1287780870 /nfs/dbraw/zinc/78/08/70/1287780870.db2.gz CJADKWXSBSVDOD-UHFFFAOYSA-N -2 3 355.358 0.613 20 0 FCADHL CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C(=O)[O-])cnn1C ZINC001604788344 1287780874 /nfs/dbraw/zinc/78/08/74/1287780874.db2.gz CJADKWXSBSVDOD-UHFFFAOYSA-N -2 3 355.358 0.613 20 0 FCADHL Cc1onc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1-c1nnn[n-]1 ZINC001592515346 1285439949 /nfs/dbraw/zinc/43/99/49/1285439949.db2.gz DPOHMMZFPDYDLD-MRVPVSSYSA-N -2 3 360.334 0.200 20 0 FCADHL Cc1onc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1-c1nn[n-]n1 ZINC001592515346 1285439955 /nfs/dbraw/zinc/43/99/55/1285439955.db2.gz DPOHMMZFPDYDLD-MRVPVSSYSA-N -2 3 360.334 0.200 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001592574354 1285492157 /nfs/dbraw/zinc/49/21/57/1285492157.db2.gz DHARXPXLLUUDHP-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592574354 1285492168 /nfs/dbraw/zinc/49/21/68/1285492168.db2.gz DHARXPXLLUUDHP-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL Cn1[n-]c(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1=O ZINC001592592247 1285526506 /nfs/dbraw/zinc/52/65/06/1285526506.db2.gz PWRSLZKYCLMBFQ-UHFFFAOYSA-N -2 3 372.364 0.407 20 0 FCADHL Cn1[n-]c(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1=O ZINC001592592247 1285526510 /nfs/dbraw/zinc/52/65/10/1285526510.db2.gz PWRSLZKYCLMBFQ-UHFFFAOYSA-N -2 3 372.364 0.407 20 0 FCADHL CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001609249266 1289019148 /nfs/dbraw/zinc/01/91/48/1289019148.db2.gz GDMVOKLSEDQWEV-CPCISQLKSA-N -2 3 364.337 0.560 20 0 FCADHL CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001609249266 1289019151 /nfs/dbraw/zinc/01/91/51/1289019151.db2.gz GDMVOKLSEDQWEV-CPCISQLKSA-N -2 3 364.337 0.560 20 0 FCADHL NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001592730984 1285642407 /nfs/dbraw/zinc/64/24/07/1285642407.db2.gz XLCIPIMMQSVCMQ-UHFFFAOYSA-N -2 3 359.371 0.090 20 0 FCADHL NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001592730984 1285642416 /nfs/dbraw/zinc/64/24/16/1285642416.db2.gz XLCIPIMMQSVCMQ-UHFFFAOYSA-N -2 3 359.371 0.090 20 0 FCADHL O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001592823501 1285738432 /nfs/dbraw/zinc/73/84/32/1285738432.db2.gz SAOUJIIQIQWHJZ-NSHDSACASA-N -2 3 351.388 0.382 20 0 FCADHL O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001592823501 1285738441 /nfs/dbraw/zinc/73/84/41/1285738441.db2.gz SAOUJIIQIQWHJZ-NSHDSACASA-N -2 3 351.388 0.382 20 0 FCADHL O=C(CCc1nccs1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592857402 1285761919 /nfs/dbraw/zinc/76/19/19/1285761919.db2.gz IQTJHQWIKDCSMH-UHFFFAOYSA-N -2 3 364.412 0.761 20 0 FCADHL O=C(CCc1nccs1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592857402 1285761926 /nfs/dbraw/zinc/76/19/26/1285761926.db2.gz IQTJHQWIKDCSMH-UHFFFAOYSA-N -2 3 364.412 0.761 20 0 FCADHL O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N-]OCc1ccccn1 ZINC001592872128 1285780363 /nfs/dbraw/zinc/78/03/63/1285780363.db2.gz PFGYIOUALIKMKO-UHFFFAOYSA-N -2 3 353.342 0.240 20 0 FCADHL O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N-]OCc1ccccn1 ZINC001592872128 1285780370 /nfs/dbraw/zinc/78/03/70/1285780370.db2.gz PFGYIOUALIKMKO-UHFFFAOYSA-N -2 3 353.342 0.240 20 0 FCADHL O=C(Cc1cncs1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592929389 1285818351 /nfs/dbraw/zinc/81/83/51/1285818351.db2.gz NWTNCWJAQJJCNT-UHFFFAOYSA-N -2 3 350.385 0.371 20 0 FCADHL O=C(Cc1cncs1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592929389 1285818359 /nfs/dbraw/zinc/81/83/59/1285818359.db2.gz NWTNCWJAQJJCNT-UHFFFAOYSA-N -2 3 350.385 0.371 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)C(C)(C)C)cc(-c2nnn[n-]2)c1 ZINC001609269775 1289033037 /nfs/dbraw/zinc/03/30/37/1289033037.db2.gz GHZYPAAPGDCBDI-UHFFFAOYSA-N -2 3 352.420 0.791 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)C(C)(C)C)cc(-c2nn[n-]n2)c1 ZINC001609269775 1289033047 /nfs/dbraw/zinc/03/30/47/1289033047.db2.gz GHZYPAAPGDCBDI-UHFFFAOYSA-N -2 3 352.420 0.791 20 0 FCADHL CN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001609270802 1289036699 /nfs/dbraw/zinc/03/66/99/1289036699.db2.gz BKVCTYLWMKXRDI-UHFFFAOYSA-N -2 3 352.405 0.585 20 0 FCADHL O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593272855 1286057137 /nfs/dbraw/zinc/05/71/37/1286057137.db2.gz CUPCUDVQIBZVEI-MRVPVSSYSA-N -2 3 357.417 0.946 20 0 FCADHL O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC001593273997 1286057708 /nfs/dbraw/zinc/05/77/08/1286057708.db2.gz KRYXTXUQPAWOKL-FUXBKTLASA-N -2 3 369.790 0.615 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001593274588 1286058750 /nfs/dbraw/zinc/05/87/50/1286058750.db2.gz OQUGONFTUQCBSO-AXTRIDKLSA-N -2 3 364.387 0.136 20 0 FCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001593274588 1286058753 /nfs/dbraw/zinc/05/87/53/1286058753.db2.gz OQUGONFTUQCBSO-AXTRIDKLSA-N -2 3 364.387 0.136 20 0 FCADHL O=C([O-])[C@@H](CC1CCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593275633 1286059731 /nfs/dbraw/zinc/05/97/31/1286059731.db2.gz GYQCDVNHVQQPMN-MRVPVSSYSA-N -2 3 357.417 0.850 20 0 FCADHL O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001593276622 1286059801 /nfs/dbraw/zinc/05/98/01/1286059801.db2.gz QHQKVFYBGFVHGY-CABZTGNLSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001593276622 1286059802 /nfs/dbraw/zinc/05/98/02/1286059802.db2.gz QHQKVFYBGFVHGY-CABZTGNLSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])[C@H](CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)CC1CC1 ZINC001593276845 1286060841 /nfs/dbraw/zinc/06/08/41/1286060841.db2.gz UZKLMUFGQPYBHD-ZDUSSCGKSA-N -2 3 365.415 0.787 20 0 FCADHL O=C([O-])[C@]12CCC[C@H]1N(S(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC001593279194 1286061845 /nfs/dbraw/zinc/06/18/45/1286061845.db2.gz WNZKMALWZHDIOO-DOMZBBRYSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])[C@]12CCC[C@H]1N(S(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC001593279194 1286061849 /nfs/dbraw/zinc/06/18/49/1286061849.db2.gz WNZKMALWZHDIOO-DOMZBBRYSA-N -2 3 363.399 0.885 20 0 FCADHL O=C([O-])[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001593278945 1286062094 /nfs/dbraw/zinc/06/20/94/1286062094.db2.gz IDMNTBZLBYJDGJ-MRVPVSSYSA-N -2 3 359.364 0.154 20 0 FCADHL O=C([O-])CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CC1CCC1 ZINC001593278481 1286062151 /nfs/dbraw/zinc/06/21/51/1286062151.db2.gz HYLHGJNKVXTFSP-UHFFFAOYSA-N -2 3 365.415 0.883 20 0 FCADHL O=C([O-])CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccnc1 ZINC001593278657 1286062218 /nfs/dbraw/zinc/06/22/18/1286062218.db2.gz RWAVDYZJJDAMIN-UHFFFAOYSA-N -2 3 374.382 0.537 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001593279549 1286063022 /nfs/dbraw/zinc/06/30/22/1286063022.db2.gz QEFNAUFMQJVFJG-OLZOCXBDSA-N -2 3 365.415 0.930 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001593279549 1286063025 /nfs/dbraw/zinc/06/30/25/1286063025.db2.gz QEFNAUFMQJVFJG-OLZOCXBDSA-N -2 3 365.415 0.930 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001593381346 1286100837 /nfs/dbraw/zinc/10/08/37/1286100837.db2.gz INOYZSPUADYUDO-SFHVURJKSA-N -2 3 364.365 0.735 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001593381346 1286100844 /nfs/dbraw/zinc/10/08/44/1286100844.db2.gz INOYZSPUADYUDO-SFHVURJKSA-N -2 3 364.365 0.735 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001593382185 1286101605 /nfs/dbraw/zinc/10/16/05/1286101605.db2.gz VWHXLMILUFLDLZ-IHRRRGAJSA-N -2 3 356.386 0.972 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001593382185 1286101610 /nfs/dbraw/zinc/10/16/10/1286101610.db2.gz VWHXLMILUFLDLZ-IHRRRGAJSA-N -2 3 356.386 0.972 20 0 FCADHL O=C1NCc2ccc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)cc21 ZINC001593409712 1286131799 /nfs/dbraw/zinc/13/17/99/1286131799.db2.gz JEIHWKIKNLOQGM-UHFFFAOYSA-N -2 3 356.367 0.911 20 0 FCADHL O=C1NCc2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc21 ZINC001593409712 1286131803 /nfs/dbraw/zinc/13/18/03/1286131803.db2.gz JEIHWKIKNLOQGM-UHFFFAOYSA-N -2 3 356.367 0.911 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1cncc(-c2nnn[n-]2)c1 ZINC001593445294 1286159135 /nfs/dbraw/zinc/15/91/35/1286159135.db2.gz JCZXPWFKGIOPCL-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1cncc(-c2nn[n-]n2)c1 ZINC001593445294 1286159140 /nfs/dbraw/zinc/15/91/40/1286159140.db2.gz JCZXPWFKGIOPCL-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL O=S(=O)([N-]c1cccc(-n2ccnn2)c1)c1cncc(-c2nnn[n-]2)c1 ZINC001593445238 1286160058 /nfs/dbraw/zinc/16/00/58/1286160058.db2.gz QLELBZICGDAANI-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1cccc(-n2ccnn2)c1)c1cncc(-c2nn[n-]n2)c1 ZINC001593445238 1286160064 /nfs/dbraw/zinc/16/00/64/1286160064.db2.gz QLELBZICGDAANI-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=c1[n-]c(CNc2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)n[nH]1 ZINC001593490324 1286176970 /nfs/dbraw/zinc/17/69/70/1286176970.db2.gz ZHGKAGJXBXFEMI-UHFFFAOYSA-N -2 3 352.318 0.885 20 0 FCADHL O=c1[n-]c(CNc2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)n[nH]1 ZINC001593490324 1286176976 /nfs/dbraw/zinc/17/69/76/1286176976.db2.gz ZHGKAGJXBXFEMI-UHFFFAOYSA-N -2 3 352.318 0.885 20 0 FCADHL Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H](N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001600117456 1286443864 /nfs/dbraw/zinc/44/38/64/1286443864.db2.gz QXEPIFXGALBEBF-YODMDTAWSA-N -2 3 358.350 0.588 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)oc1C(=O)[O-] ZINC001600299565 1286472719 /nfs/dbraw/zinc/47/27/19/1286472719.db2.gz ZVEYQKBBCWREGB-UWVGGRQHSA-N -2 3 360.388 0.200 20 0 FCADHL CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001609306922 1289078852 /nfs/dbraw/zinc/07/88/52/1289078852.db2.gz HTSHWEHEKQQXJQ-GFCCVEGCSA-N -2 3 353.404 0.484 20 0 FCADHL CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001609306922 1289078861 /nfs/dbraw/zinc/07/88/61/1289078861.db2.gz HTSHWEHEKQQXJQ-GFCCVEGCSA-N -2 3 353.404 0.484 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCCN(c3cnn(C)c3)C2)c1C(=O)[O-] ZINC001600672485 1286522449 /nfs/dbraw/zinc/52/24/49/1286522449.db2.gz DAPLJVFWYJNQLU-SNVBAGLBSA-N -2 3 368.419 0.097 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CC3(CO2)CCOCC3)c1C(=O)[O-] ZINC001600674085 1286525825 /nfs/dbraw/zinc/52/58/25/1286525825.db2.gz OONHVLGRDZAOPQ-SNVBAGLBSA-N -2 3 359.404 0.280 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001609309015 1289080583 /nfs/dbraw/zinc/08/05/83/1289080583.db2.gz UQBSSLJOHVMURF-JTQLQIEISA-N -2 3 353.404 0.280 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001609309015 1289080589 /nfs/dbraw/zinc/08/05/89/1289080589.db2.gz UQBSSLJOHVMURF-JTQLQIEISA-N -2 3 353.404 0.280 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001600733883 1286533996 /nfs/dbraw/zinc/53/39/96/1286533996.db2.gz ZPCVTIXLQKUAMX-UHFFFAOYSA-N -2 3 360.374 0.577 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1C(=O)[O-] ZINC001600856925 1286558785 /nfs/dbraw/zinc/55/87/85/1286558785.db2.gz BTLRPCKGWBDRIX-KOLCDFICSA-N -2 3 360.388 0.200 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC001609311630 1289083474 /nfs/dbraw/zinc/08/34/74/1289083474.db2.gz ZDPGZAJYVSXWTO-LBPRGKRZSA-N -2 3 363.403 0.730 20 0 FCADHL Cn1cc([C@@]2(C[N-]S(=O)(=O)c3cc(C(=O)[O-])co3)CCCO2)cn1 ZINC001600945714 1286576671 /nfs/dbraw/zinc/57/66/71/1286576671.db2.gz MZSMHOBZXFWVKL-AWEZNQCLSA-N -2 3 355.372 0.696 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)c(Br)n1 ZINC001600967611 1286584008 /nfs/dbraw/zinc/58/40/08/1286584008.db2.gz AHJHZGAXBKNOFV-UHFFFAOYSA-N -2 3 352.210 0.714 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCSC2)c(Br)n1 ZINC001600968299 1286584189 /nfs/dbraw/zinc/58/41/89/1286584189.db2.gz VJHLJXNASAOJHR-SECBINFHSA-N -2 3 370.250 0.421 20 0 FCADHL Cn1nc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1C(=O)[O-] ZINC001601014447 1286599401 /nfs/dbraw/zinc/59/94/01/1286599401.db2.gz YJYCKPNTJISNML-UHFFFAOYSA-N -2 3 373.369 0.814 20 0 FCADHL NC(=O)Cc1ccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC001601152623 1286660862 /nfs/dbraw/zinc/66/08/62/1286660862.db2.gz HOBQCPUWXRWNCL-UHFFFAOYSA-N -2 3 355.397 0.348 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCCNC(=O)c1ccccc1 ZINC001601499087 1286768091 /nfs/dbraw/zinc/76/80/91/1286768091.db2.gz CIKSNLZDARQEAG-UHFFFAOYSA-N -2 3 369.424 0.940 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001609334553 1289104639 /nfs/dbraw/zinc/10/46/39/1289104639.db2.gz OCPXYSKAKGSYSL-LLVKDONJSA-N -2 3 362.346 0.039 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001609334553 1289104640 /nfs/dbraw/zinc/10/46/40/1289104640.db2.gz OCPXYSKAKGSYSL-LLVKDONJSA-N -2 3 362.346 0.039 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC001609336260 1289105412 /nfs/dbraw/zinc/10/54/12/1289105412.db2.gz BGOUUAPILUAYSA-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001601868228 1286858777 /nfs/dbraw/zinc/85/87/77/1286858777.db2.gz WAQBIQRBSZWFNC-CQSZACIVSA-N -2 3 350.338 0.913 20 0 FCADHL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001601868228 1286858786 /nfs/dbraw/zinc/85/87/86/1286858786.db2.gz WAQBIQRBSZWFNC-CQSZACIVSA-N -2 3 350.338 0.913 20 0 FCADHL O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC001601912914 1286868876 /nfs/dbraw/zinc/86/88/76/1286868876.db2.gz PFRWJFUQHLNDEF-SSDOTTSWSA-N -2 3 356.169 0.702 20 0 FCADHL O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001601913042 1286869014 /nfs/dbraw/zinc/86/90/14/1286869014.db2.gz SOIDEFYBJBXEDT-SSDOTTSWSA-N -2 3 356.169 0.702 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)C1=CCOCC1 ZINC001609338749 1289108216 /nfs/dbraw/zinc/10/82/16/1289108216.db2.gz PEKVBXWZMHJPQE-UHFFFAOYSA-N -2 3 365.371 0.027 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)C1=CCOCC1 ZINC001609338749 1289108218 /nfs/dbraw/zinc/10/82/18/1289108218.db2.gz PEKVBXWZMHJPQE-UHFFFAOYSA-N -2 3 365.371 0.027 20 0 FCADHL COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001609354139 1289115600 /nfs/dbraw/zinc/11/56/00/1289115600.db2.gz NMKDTUQYAQQXIL-UHFFFAOYSA-N -2 3 374.382 0.318 20 0 FCADHL COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001609354139 1289115604 /nfs/dbraw/zinc/11/56/04/1289115604.db2.gz NMKDTUQYAQQXIL-UHFFFAOYSA-N -2 3 374.382 0.318 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2CC(=O)N(C3CC3)C2)c1F ZINC001602228986 1286972576 /nfs/dbraw/zinc/97/25/76/1286972576.db2.gz XOWNETOSCMHFCV-MRVPVSSYSA-N -2 3 374.365 0.952 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)c(F)c1 ZINC001602395435 1286994451 /nfs/dbraw/zinc/99/44/51/1286994451.db2.gz IFATWOQRHAZTBZ-UHFFFAOYSA-N -2 3 353.331 0.767 20 0 FCADHL COc1cccc(OC)c1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1nnn[n-]1 ZINC001609362244 1289117798 /nfs/dbraw/zinc/11/77/98/1289117798.db2.gz BHSOYSOACZWOOS-UHFFFAOYSA-N -2 3 365.375 0.716 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001602488515 1287011175 /nfs/dbraw/zinc/01/11/75/1287011175.db2.gz IQWOJCJXETVUJW-RYUDHWBXSA-N -2 3 359.400 0.966 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1cnn(CC(F)(F)F)c1 ZINC001602506766 1287018182 /nfs/dbraw/zinc/01/81/82/1287018182.db2.gz PVZDZVKJUYHSGG-UHFFFAOYSA-N -2 3 353.282 0.345 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1cccc(N2CCOC2=O)c1 ZINC001602507146 1287018586 /nfs/dbraw/zinc/01/85/86/1287018586.db2.gz YZUCEFHQCFIJML-UHFFFAOYSA-N -2 3 366.355 0.543 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001602507628 1287019051 /nfs/dbraw/zinc/01/90/51/1287019051.db2.gz FTIOTBJCNWFYST-JTQLQIEISA-N -3 3 357.319 0.221 20 0 FCADHL O=C([O-])c1coc(Cn2cc(I)c(=O)[n-]c2=O)c1 ZINC001602555665 1287024332 /nfs/dbraw/zinc/02/43/32/1287024332.db2.gz DYLLZAYYOALDNB-UHFFFAOYSA-N -2 3 362.079 0.893 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCOc1ccc2c(c1)OCO2 ZINC001602583500 1287030568 /nfs/dbraw/zinc/03/05/68/1287030568.db2.gz UMXFQMGOXVPJGD-UHFFFAOYSA-N -2 3 372.380 0.927 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001602583069 1287030683 /nfs/dbraw/zinc/03/06/83/1287030683.db2.gz MNWRINXBVWPPRJ-RXMQYKEDSA-N -2 3 373.334 0.283 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCOCC2)O1 ZINC001602583129 1287030812 /nfs/dbraw/zinc/03/08/12/1287030812.db2.gz PGVCJJQJFCBVKY-VIFPVBQESA-N -2 3 362.429 0.848 20 0 FCADHL O=C([O-])c1cccc(NC(=O)NN2CC(=O)[N-]C2=O)c1Br ZINC001602650563 1287050702 /nfs/dbraw/zinc/05/07/02/1287050702.db2.gz BSHOOFHTABZFDG-UHFFFAOYSA-N -2 3 357.120 0.736 20 0 FCADHL CSCC[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001609370758 1289126248 /nfs/dbraw/zinc/12/62/48/1289126248.db2.gz BVXKWFDLDLCJTA-LLVKDONJSA-N -2 3 371.444 0.492 20 0 FCADHL CSCC[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001609370758 1289126249 /nfs/dbraw/zinc/12/62/49/1289126249.db2.gz BVXKWFDLDLCJTA-LLVKDONJSA-N -2 3 371.444 0.492 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001609389042 1289133405 /nfs/dbraw/zinc/13/34/05/1289133405.db2.gz JPXXPKBHJOXAAB-MRVPVSSYSA-N -2 3 361.330 0.562 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001609389042 1289133409 /nfs/dbraw/zinc/13/34/09/1289133409.db2.gz JPXXPKBHJOXAAB-MRVPVSSYSA-N -2 3 361.330 0.562 20 0 FCADHL COC(=O)c1cnccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001604989544 1287827698 /nfs/dbraw/zinc/82/76/98/1287827698.db2.gz FWPBNFJQJWCYMP-UHFFFAOYSA-N -2 3 360.355 0.271 20 0 FCADHL COC(=O)c1cnccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001604989544 1287827704 /nfs/dbraw/zinc/82/77/04/1287827704.db2.gz FWPBNFJQJWCYMP-UHFFFAOYSA-N -2 3 360.355 0.271 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)ccn1 ZINC001609395445 1289135738 /nfs/dbraw/zinc/13/57/38/1289135738.db2.gz HIXNDTRBEXIWSV-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)ccn1 ZINC001609395445 1289135741 /nfs/dbraw/zinc/13/57/41/1289135741.db2.gz HIXNDTRBEXIWSV-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@](C)(C(=O)[O-])C1 ZINC001605035628 1287845260 /nfs/dbraw/zinc/84/52/60/1287845260.db2.gz AQDJOSLSPBFODS-IINYFYTJSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@](C)(C(=O)[O-])C1 ZINC001605035628 1287845264 /nfs/dbraw/zinc/84/52/64/1287845264.db2.gz AQDJOSLSPBFODS-IINYFYTJSA-N -2 3 367.387 0.119 20 0 FCADHL COCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001605113728 1287888274 /nfs/dbraw/zinc/88/82/74/1287888274.db2.gz TXPXXQFTVSTXIU-UHFFFAOYSA-N -2 3 364.362 0.287 20 0 FCADHL COCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001605113728 1287888282 /nfs/dbraw/zinc/88/82/82/1287888282.db2.gz TXPXXQFTVSTXIU-UHFFFAOYSA-N -2 3 364.362 0.287 20 0 FCADHL COCCS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001605120500 1287889577 /nfs/dbraw/zinc/88/95/77/1287889577.db2.gz BFANHYTVQHFSIQ-JTQLQIEISA-N -2 3 353.404 0.138 20 0 FCADHL COCCS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605120500 1287889578 /nfs/dbraw/zinc/88/95/78/1287889578.db2.gz BFANHYTVQHFSIQ-JTQLQIEISA-N -2 3 353.404 0.138 20 0 FCADHL CS(C)(=O)=NS(=O)(=O)[N-]c1sc2c(c1-c1nn[n-]n1)CCC2 ZINC001605362162 1287939983 /nfs/dbraw/zinc/93/99/83/1287939983.db2.gz VZVANFQATYIHMU-UHFFFAOYSA-N -2 3 362.462 0.801 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001609416795 1289143104 /nfs/dbraw/zinc/14/31/04/1289143104.db2.gz LNZIUHDRQGXIOZ-CABZTGNLSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001609416795 1289143107 /nfs/dbraw/zinc/14/31/07/1289143107.db2.gz LNZIUHDRQGXIOZ-CABZTGNLSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(CS(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1F ZINC001609424648 1289144817 /nfs/dbraw/zinc/14/48/17/1289144817.db2.gz YXQCTWKHBHZALY-UHFFFAOYSA-N -2 3 351.367 0.990 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001605546638 1287995386 /nfs/dbraw/zinc/99/53/86/1287995386.db2.gz UDBYFCIWQHBVRQ-NSHDSACASA-N -2 3 351.388 0.707 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001605546638 1287995391 /nfs/dbraw/zinc/99/53/91/1287995391.db2.gz UDBYFCIWQHBVRQ-NSHDSACASA-N -2 3 351.388 0.707 20 0 FCADHL Cc1csc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1-c1nnn[n-]1 ZINC001609443349 1289153971 /nfs/dbraw/zinc/15/39/71/1289153971.db2.gz ADBSXDFUXYPUSN-UHFFFAOYSA-N -2 3 357.359 0.260 20 0 FCADHL Cc1csc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1-c1nn[n-]n1 ZINC001609443349 1289153976 /nfs/dbraw/zinc/15/39/76/1289153976.db2.gz ADBSXDFUXYPUSN-UHFFFAOYSA-N -2 3 357.359 0.260 20 0 FCADHL CCc1c[nH]c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)n1 ZINC001605784770 1288085181 /nfs/dbraw/zinc/08/51/81/1288085181.db2.gz RXMIOPGMQLZFTM-UHFFFAOYSA-N -2 3 373.412 0.997 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H](C)CCC(=O)[O-] ZINC001605801319 1288088381 /nfs/dbraw/zinc/08/83/81/1288088381.db2.gz DHEHLVOYZZVAJK-SECBINFHSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H](C)CCC(=O)[O-] ZINC001605801319 1288088387 /nfs/dbraw/zinc/08/83/87/1288088387.db2.gz DHEHLVOYZZVAJK-SECBINFHSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H](C)CCC(=O)[O-] ZINC001605801320 1288088611 /nfs/dbraw/zinc/08/86/11/1288088611.db2.gz DHEHLVOYZZVAJK-VIFPVBQESA-N -2 3 353.404 0.954 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H](C)CCC(=O)[O-] ZINC001605801320 1288088616 /nfs/dbraw/zinc/08/86/16/1288088616.db2.gz DHEHLVOYZZVAJK-VIFPVBQESA-N -2 3 353.404 0.954 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C ZINC001605801353 1288089505 /nfs/dbraw/zinc/08/95/05/1288089505.db2.gz FXBWZQMBMOXUCA-LLVKDONJSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C ZINC001605801353 1288089509 /nfs/dbraw/zinc/08/95/09/1288089509.db2.gz FXBWZQMBMOXUCA-LLVKDONJSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC001605802110 1288090297 /nfs/dbraw/zinc/09/02/97/1288090297.db2.gz ULQOUWXKYBZFMT-SKDRFNHKSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001605801785 1288090510 /nfs/dbraw/zinc/09/05/10/1288090510.db2.gz UITCLMQGIUTNGB-LBPRGKRZSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001605801785 1288090512 /nfs/dbraw/zinc/09/05/12/1288090512.db2.gz UITCLMQGIUTNGB-LBPRGKRZSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC001609450204 1289156830 /nfs/dbraw/zinc/15/68/30/1289156830.db2.gz BQAMQMMFZXUMFZ-UHFFFAOYSA-N -2 3 354.783 0.758 20 0 FCADHL Cc1[nH]nc([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1-c1nnn[n-]1 ZINC001606014052 1288129297 /nfs/dbraw/zinc/12/92/97/1288129297.db2.gz NRVOQASXBYOKQQ-SSDOTTSWSA-N -2 3 363.407 0.793 20 0 FCADHL Cc1ncc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)cc1-c1nnn[n-]1 ZINC001609456536 1289161064 /nfs/dbraw/zinc/16/10/64/1289161064.db2.gz UDVQXYHCAXORJG-UHFFFAOYSA-N -2 3 364.343 0.340 20 0 FCADHL Cc1ncc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)cc1-c1nn[n-]n1 ZINC001609456536 1289161070 /nfs/dbraw/zinc/16/10/70/1289161070.db2.gz UDVQXYHCAXORJG-UHFFFAOYSA-N -2 3 364.343 0.340 20 0 FCADHL CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)C1=O ZINC001606259117 1288239679 /nfs/dbraw/zinc/23/96/79/1288239679.db2.gz LMOINGCHHRMDTJ-AWEZNQCLSA-N -2 3 361.379 0.771 20 0 FCADHL COC(=O)[C@@H](CCC(=O)[O-])N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001606335149 1288263837 /nfs/dbraw/zinc/26/38/37/1288263837.db2.gz YYDJFBMFSZPYMJ-CQSZACIVSA-N -2 3 350.371 0.556 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1ccc2c(c1)CCO2 ZINC001606342214 1288264226 /nfs/dbraw/zinc/26/42/26/1288264226.db2.gz MCSFUZROQGXZKP-CQSZACIVSA-N -2 3 357.384 0.620 20 0 FCADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCc1nc(=O)o[n-]1 ZINC001606512302 1288354485 /nfs/dbraw/zinc/35/44/85/1288354485.db2.gz DUUQXXHRXNZSBA-UHFFFAOYSA-N -2 3 373.373 0.451 20 0 FCADHL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCc1nc(=O)o[n-]1 ZINC001606512302 1288354488 /nfs/dbraw/zinc/35/44/88/1288354488.db2.gz DUUQXXHRXNZSBA-UHFFFAOYSA-N -2 3 373.373 0.451 20 0 FCADHL O=C(COc1ccsc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001606579771 1288393780 /nfs/dbraw/zinc/39/37/80/1288393780.db2.gz YIRRTIZBVADPEQ-UHFFFAOYSA-N -2 3 365.396 0.812 20 0 FCADHL O=C(COc1ccsc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001606579771 1288393786 /nfs/dbraw/zinc/39/37/86/1288393786.db2.gz YIRRTIZBVADPEQ-UHFFFAOYSA-N -2 3 365.396 0.812 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001606588449 1288398201 /nfs/dbraw/zinc/39/82/01/1288398201.db2.gz VFFUQLYYSFBYCI-UHFFFAOYSA-N -2 3 350.339 0.238 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001606588449 1288398204 /nfs/dbraw/zinc/39/82/04/1288398204.db2.gz VFFUQLYYSFBYCI-UHFFFAOYSA-N -2 3 350.339 0.238 20 0 FCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccnn1C ZINC001606593250 1288399636 /nfs/dbraw/zinc/39/96/36/1288399636.db2.gz PPLXCXLEBYDCSZ-LBPRGKRZSA-N -2 3 371.346 0.450 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])co2)c(F)c1 ZINC001606606887 1288404234 /nfs/dbraw/zinc/40/42/34/1288404234.db2.gz LQYZSFOFKSMFOP-UHFFFAOYSA-N -2 3 358.303 0.777 20 0 FCADHL O=C(NC[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1)c1ncccc1[O-] ZINC001606736864 1288477352 /nfs/dbraw/zinc/47/73/52/1288477352.db2.gz ZOBVJCHBBHRWDI-NSHDSACASA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NC[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1)c1ncccc1[O-] ZINC001606736864 1288477360 /nfs/dbraw/zinc/47/73/60/1288477360.db2.gz ZOBVJCHBBHRWDI-NSHDSACASA-N -2 3 366.385 0.761 20 0 FCADHL O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001606737531 1288477495 /nfs/dbraw/zinc/47/74/95/1288477495.db2.gz AEIRIAPNPILHDB-JTQLQIEISA-N -2 3 367.373 0.014 20 0 FCADHL O=C(NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001606737531 1288477502 /nfs/dbraw/zinc/47/75/02/1288477502.db2.gz AEIRIAPNPILHDB-JTQLQIEISA-N -2 3 367.373 0.014 20 0 FCADHL COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001606785979 1288516007 /nfs/dbraw/zinc/51/60/07/1288516007.db2.gz DTSFSQZZLCBAMD-NSHDSACASA-N -2 3 352.390 0.088 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001606915484 1288561618 /nfs/dbraw/zinc/56/16/18/1288561618.db2.gz PDMSYLNZQBIXJW-UHFFFAOYSA-N -2 3 367.304 0.939 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001606915484 1288561620 /nfs/dbraw/zinc/56/16/20/1288561620.db2.gz PDMSYLNZQBIXJW-UHFFFAOYSA-N -2 3 367.304 0.939 20 0 FCADHL O=C([O-])CN(CC1CC1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001606958494 1288574378 /nfs/dbraw/zinc/57/43/78/1288574378.db2.gz WHPHMJNEFYKLLN-UHFFFAOYSA-N -2 3 373.341 0.630 20 0 FCADHL O=C([O-])CN(CC1CC1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001606958494 1288574379 /nfs/dbraw/zinc/57/43/79/1288574379.db2.gz WHPHMJNEFYKLLN-UHFFFAOYSA-N -2 3 373.341 0.630 20 0 FCADHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001606960908 1288576570 /nfs/dbraw/zinc/57/65/70/1288576570.db2.gz UYJJFJNFDSFMRN-QMMMGPOBSA-N -3 3 365.293 0.236 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001606961098 1288576616 /nfs/dbraw/zinc/57/66/16/1288576616.db2.gz PRRWIRJAGQJELK-UHFFFAOYSA-N -2 3 355.351 0.491 20 0 FCADHL CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001606999687 1288585160 /nfs/dbraw/zinc/58/51/60/1288585160.db2.gz CTXDPZSJGPKUAS-NXEZZACHSA-N -2 3 353.755 0.869 20 0 FCADHL O=C(c1ccccc1[O-])N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001607023757 1288595462 /nfs/dbraw/zinc/59/54/62/1288595462.db2.gz FEFIZKCARFCPHL-UHFFFAOYSA-N -2 3 352.358 0.325 20 0 FCADHL O=C1COc2c([N-]S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)cccc2N1 ZINC001607047891 1288616561 /nfs/dbraw/zinc/61/65/61/1288616561.db2.gz QNVAUUSUWRKHFP-UHFFFAOYSA-N -2 3 373.354 0.393 20 0 FCADHL O=C1COc2c([N-]S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)cccc2N1 ZINC001607047891 1288616564 /nfs/dbraw/zinc/61/65/64/1288616564.db2.gz QNVAUUSUWRKHFP-UHFFFAOYSA-N -2 3 373.354 0.393 20 0 FCADHL O=S(=O)([N-][C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F)C1COC1 ZINC001607062551 1288633533 /nfs/dbraw/zinc/63/35/33/1288633533.db2.gz KESZGHQAWCBJSH-JTQLQIEISA-N -2 3 363.321 0.788 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1C(=O)[O-] ZINC001607939775 1288749311 /nfs/dbraw/zinc/74/93/11/1288749311.db2.gz GMWVPNUTOJNWFL-VXGBXAGGSA-N -2 3 367.431 0.840 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)c1C(=O)[O-] ZINC001607938221 1288749538 /nfs/dbraw/zinc/74/95/38/1288749538.db2.gz NAUKXUUYYJEMGA-KYZUINATSA-N -2 3 359.404 0.815 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2cn(-c3ccccc3)nn2)c1C(=O)[O-] ZINC001607938673 1288749623 /nfs/dbraw/zinc/74/96/23/1288749623.db2.gz TXLSQCRALDWGKK-UHFFFAOYSA-N -2 3 362.371 0.476 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](c2nccn2C)C(C)(C)CO)c1C(=O)[O-] ZINC001607940246 1288750085 /nfs/dbraw/zinc/75/00/85/1288750085.db2.gz NIECOAWFNWESOY-SNVBAGLBSA-N -2 3 371.419 0.188 20 0 FCADHL Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC001608106628 1288768965 /nfs/dbraw/zinc/76/89/65/1288768965.db2.gz ZYQMNAUFNNHFMG-LLVKDONJSA-N -2 3 361.326 0.408 20 0 FCADHL O=C([O-])[C@H](CC1OCCO1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001608533188 1288854694 /nfs/dbraw/zinc/85/46/94/1288854694.db2.gz AHVDUDYLUJPHAU-VIFPVBQESA-N -2 3 355.290 0.598 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001608627174 1288860717 /nfs/dbraw/zinc/86/07/17/1288860717.db2.gz REFIXASGANWJQS-TUAOUCFPSA-N -2 3 370.431 0.324 20 0 FCADHL CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609086541 1288910760 /nfs/dbraw/zinc/91/07/60/1288910760.db2.gz LHOICSRHYSSJBM-CABZTGNLSA-N -2 3 353.404 0.890 20 0 FCADHL CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609086541 1288910765 /nfs/dbraw/zinc/91/07/65/1288910765.db2.gz LHOICSRHYSSJBM-CABZTGNLSA-N -2 3 353.404 0.890 20 0 FCADHL C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609132922 1288940640 /nfs/dbraw/zinc/94/06/40/1288940640.db2.gz LZCYJQZORXEFDP-VIFPVBQESA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609132922 1288940644 /nfs/dbraw/zinc/94/06/44/1288940644.db2.gz LZCYJQZORXEFDP-VIFPVBQESA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CO1 ZINC001609155334 1288954598 /nfs/dbraw/zinc/95/45/98/1288954598.db2.gz NHCWKZSCKJUJNY-KOLCDFICSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CO1 ZINC001609155334 1288954602 /nfs/dbraw/zinc/95/46/02/1288954602.db2.gz NHCWKZSCKJUJNY-KOLCDFICSA-N -2 3 351.388 0.238 20 0 FCADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3c(-c4nnn[n-]4)cnn3C)ccc2O1 ZINC001609177805 1288971716 /nfs/dbraw/zinc/97/17/16/1288971716.db2.gz FGBBEFWMXKBWNH-MRVPVSSYSA-N -2 3 361.387 0.724 20 0 FCADHL CC[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001609189715 1288978447 /nfs/dbraw/zinc/97/84/47/1288978447.db2.gz WWINJUGWNWFIOE-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL CC[C@H](SC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001609195782 1288979603 /nfs/dbraw/zinc/97/96/03/1288979603.db2.gz BHXYOTNXTOBUKP-JTQLQIEISA-N -2 3 371.444 0.822 20 0 FCADHL CC[C@H](SC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001609195782 1288979606 /nfs/dbraw/zinc/97/96/06/1288979606.db2.gz BHXYOTNXTOBUKP-JTQLQIEISA-N -2 3 371.444 0.822 20 0 FCADHL CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609210803 1288988610 /nfs/dbraw/zinc/98/86/10/1288988610.db2.gz QJCUTLNKLGMDLH-VIFPVBQESA-N -2 3 354.392 0.272 20 0 FCADHL CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609210803 1288988613 /nfs/dbraw/zinc/98/86/13/1288988613.db2.gz QJCUTLNKLGMDLH-VIFPVBQESA-N -2 3 354.392 0.272 20 0 FCADHL CCCSCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609217099 1288993058 /nfs/dbraw/zinc/99/30/58/1288993058.db2.gz CCVNNKVVVXJJOL-UHFFFAOYSA-N -2 3 355.445 0.956 20 0 FCADHL CCCSCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609217099 1288993060 /nfs/dbraw/zinc/99/30/60/1288993060.db2.gz CCVNNKVVVXJJOL-UHFFFAOYSA-N -2 3 355.445 0.956 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001609572113 1289235340 /nfs/dbraw/zinc/23/53/40/1289235340.db2.gz ZLSQVNUCMVTOES-UHFFFAOYSA-N -2 3 365.415 0.931 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001609572113 1289235349 /nfs/dbraw/zinc/23/53/49/1289235349.db2.gz ZLSQVNUCMVTOES-UHFFFAOYSA-N -2 3 365.415 0.931 20 0 FCADHL CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1(C)C ZINC001610030032 1289352760 /nfs/dbraw/zinc/35/27/60/1289352760.db2.gz YDGOQFSOPIAKEP-ISVAXAHUSA-N -2 3 364.445 0.686 20 0 FCADHL COC(=O)N1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001610188898 1289417342 /nfs/dbraw/zinc/41/73/42/1289417342.db2.gz WDXHZTAPZCISTQ-UHFFFAOYSA-N -2 3 366.754 0.906 20 0 FCADHL COCCC(=O)N1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001610253496 1289438937 /nfs/dbraw/zinc/43/89/37/1289438937.db2.gz DMXRGIGOOKKGAV-UHFFFAOYSA-N -2 3 360.388 0.284 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001610562279 1289510303 /nfs/dbraw/zinc/51/03/03/1289510303.db2.gz JESRLIRMDFDPRT-UHFFFAOYSA-N -2 3 372.385 0.260 20 0 FCADHL O=C([O-])[C@@H](CO)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001610682814 1289551207 /nfs/dbraw/zinc/55/12/07/1289551207.db2.gz DHTCBMCGQBKSOW-GFCCVEGCSA-N -2 3 371.346 0.130 20 0 FCADHL O=C([O-])c1cc(C(=O)[N-]c2cc(S(=O)(=O)N3CCCC3)ccn2)on1 ZINC001610810210 1289599699 /nfs/dbraw/zinc/59/96/99/1289599699.db2.gz WKQUCAHKJKBOEC-UHFFFAOYSA-N -2 3 366.355 0.805 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC001610871168 1289614200 /nfs/dbraw/zinc/61/42/00/1289614200.db2.gz CJTAPLQGWCJUKC-ZWNOBZJWSA-N -2 3 362.429 0.440 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CS(=O)(=O)c2ccccc21 ZINC001610872724 1289614640 /nfs/dbraw/zinc/61/46/40/1289614640.db2.gz IXTKZJSQOAHWCP-MRVPVSSYSA-N -2 3 374.421 0.648 20 0 FCADHL CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1 ZINC001630647415 1290686518 /nfs/dbraw/zinc/68/65/18/1290686518.db2.gz WZGRROLPOGEVIG-UHFFFAOYSA-N -2 3 355.347 0.751 20 0 FCADHL O=C([N-][N-]S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccccn1 ZINC000029434718 835978570 /nfs/dbraw/zinc/97/85/70/835978570.db2.gz BTWIBOUBPBYAIB-UHFFFAOYSA-N -2 3 363.399 0.269 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)o1 ZINC001175553498 850767076 /nfs/dbraw/zinc/76/70/76/850767076.db2.gz XGJSNEBVOAZWRP-SECBINFHSA-N -2 3 368.419 0.499 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)o1 ZINC001175553498 850767085 /nfs/dbraw/zinc/76/70/85/850767085.db2.gz XGJSNEBVOAZWRP-SECBINFHSA-N -2 3 368.419 0.499 20 0 FCADHL CCOC(=O)c1sc(S(=O)(=O)[N-]c2cc(=O)[n-]c(OC)n2)nc1C ZINC001184921946 851326925 /nfs/dbraw/zinc/32/69/25/851326925.db2.gz WBVKHTHXRKIGHN-UHFFFAOYSA-N -2 3 374.400 0.933 20 0 FCADHL Cn1ncc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cnc21 ZINC001185565727 851362202 /nfs/dbraw/zinc/36/22/02/851362202.db2.gz CLRARURGIZFAII-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL CCOC(=O)c1nonc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566732 851363198 /nfs/dbraw/zinc/36/31/98/851363198.db2.gz SABXYIOZWINSBD-UHFFFAOYSA-N -2 3 365.331 0.227 20 0 FCADHL CCOC(=O)c1nonc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566732 851363205 /nfs/dbraw/zinc/36/32/05/851363205.db2.gz SABXYIOZWINSBD-UHFFFAOYSA-N -2 3 365.331 0.227 20 0 FCADHL COc1ncnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1OC ZINC001185568143 851363218 /nfs/dbraw/zinc/36/32/18/851363218.db2.gz PKCDHDBJYYMOIN-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL COc1ncnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1OC ZINC001185568143 851363223 /nfs/dbraw/zinc/36/32/23/851363223.db2.gz PKCDHDBJYYMOIN-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL CN1CCC[C@](C)(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1 ZINC001189941951 851847308 /nfs/dbraw/zinc/84/73/08/851847308.db2.gz UWSFEVVMAKXROI-HNNXBMFYSA-N -2 3 356.400 0.846 20 0 FCADHL CCOc1ccc(S(=O)(=O)Nc2cnc(C)[n-]c2=O)cc1C(=O)[O-] ZINC001192674827 852273527 /nfs/dbraw/zinc/27/35/27/852273527.db2.gz OHFHZPQWNDITLZ-LLVKDONJSA-N -2 3 353.356 0.460 20 0 FCADHL CC(C)CNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195255520 852733044 /nfs/dbraw/zinc/73/30/44/852733044.db2.gz XSOMWXVNFUZFCQ-UHFFFAOYSA-N -2 3 350.343 0.714 20 0 FCADHL CC(C)(C)OC(=O)N1CCO[C@H]2[C@H](Oc3nc(=O)[n-]c(=O)[n-]3)CC[C@@H]21 ZINC001227568910 857165598 /nfs/dbraw/zinc/16/55/98/857165598.db2.gz QDJRBEFWNGJCCW-IVZWLZJFSA-N -2 3 354.363 0.829 20 0 FCADHL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=S)nc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001228766747 857227916 /nfs/dbraw/zinc/22/79/16/857227916.db2.gz VCBZMVOWIZRLTP-GMSGAONNSA-N -3 3 352.324 0.360 20 0 FCADHL O=C(Oc1[n-]c(=S)nc2sccc21)[C@H](O)COP(=O)([O-])[O-] ZINC001229565564 857275817 /nfs/dbraw/zinc/27/58/17/857275817.db2.gz JJGGOJUVOHYIAK-RXMQYKEDSA-N -3 3 352.286 0.356 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C=CS(=O)(=O)C2)c(F)cc1Cl ZINC001259221535 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/nfs/dbraw/zinc/79/45/32/546794532.db2.gz CNTSCVOBYAJYED-UHFFFAOYSA-N -2 3 355.372 0.961 20 0 FCADHL COC(=O)Cc1nc([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)n[n-]1 ZINC000594729551 546822997 /nfs/dbraw/zinc/82/29/97/546822997.db2.gz YAZYAZBAZBELNT-LLVKDONJSA-N -2 3 360.436 0.857 20 0 FCADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])cc1OC ZINC000324156491 546847609 /nfs/dbraw/zinc/84/76/09/546847609.db2.gz BIHVWKRSSAJPFZ-MRVPVSSYSA-N -3 3 365.335 0.439 20 0 FCADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-] ZINC000275284082 546864992 /nfs/dbraw/zinc/86/49/92/546864992.db2.gz OMCSFHXSXIFKOS-SECBINFHSA-N -2 3 363.344 0.059 20 0 FCADHL COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000546253277 547039007 /nfs/dbraw/zinc/03/90/07/547039007.db2.gz ZOUQRTAOADLRLZ-LBPRGKRZSA-N -2 3 360.407 0.913 20 0 FCADHL COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H](CC1CCCCC1)[C@@H](O)C(=O)[O-] ZINC000549906388 547073348 /nfs/dbraw/zinc/07/33/48/547073348.db2.gz ZETLMIRWWIRXDY-KGYLQXTDSA-N -2 3 365.448 0.499 20 0 FCADHL NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737760207 598842160 /nfs/dbraw/zinc/84/21/60/598842160.db2.gz IQEZXNWCNIYLDS-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737760207 598842162 /nfs/dbraw/zinc/84/21/62/598842162.db2.gz IQEZXNWCNIYLDS-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736968728 598858761 /nfs/dbraw/zinc/85/87/61/598858761.db2.gz IPTBOACFRZJBRZ-UWVGGRQHSA-N -2 3 369.403 0.115 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCOC1 ZINC000737298948 598909891 /nfs/dbraw/zinc/90/98/91/598909891.db2.gz MYZFAHFIHZJRNR-JTQLQIEISA-N -2 3 351.388 0.407 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCOC1 ZINC000737298948 598909894 /nfs/dbraw/zinc/90/98/94/598909894.db2.gz MYZFAHFIHZJRNR-JTQLQIEISA-N -2 3 351.388 0.407 20 0 FCADHL Cc1nn2c(SCc3cc(-c4nnn[n-]4)ccc3F)n[n-]c2nc1=O ZINC000737520347 598971244 /nfs/dbraw/zinc/97/12/44/598971244.db2.gz DWBFYEJWIZCWIC-UHFFFAOYSA-N -2 3 359.350 0.733 20 0 FCADHL Cc1nn2c(SCc3cc(-c4nn[n-]n4)ccc3F)n[n-]c2nc1=O ZINC000737520347 598971246 /nfs/dbraw/zinc/97/12/46/598971246.db2.gz DWBFYEJWIZCWIC-UHFFFAOYSA-N -2 3 359.350 0.733 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCO1 ZINC000737300039 598977127 /nfs/dbraw/zinc/97/71/27/598977127.db2.gz UVRPVUFOUYTELJ-NSHDSACASA-N -2 3 351.388 0.549 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCO1 ZINC000737300039 598977129 /nfs/dbraw/zinc/97/71/29/598977129.db2.gz UVRPVUFOUYTELJ-NSHDSACASA-N -2 3 351.388 0.549 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1sccc1-c1nnn[n-]1 ZINC000738139208 599027448 /nfs/dbraw/zinc/02/74/48/599027448.db2.gz MNVPFHIWTUHPJV-MRVPVSSYSA-N -2 3 357.417 0.557 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1sccc1-c1nn[n-]n1 ZINC000738139208 599027449 /nfs/dbraw/zinc/02/74/49/599027449.db2.gz MNVPFHIWTUHPJV-MRVPVSSYSA-N -2 3 357.417 0.557 20 0 FCADHL COC(=O)c1sc2[n-]c(CN3CC[C@@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000818528038 597535114 /nfs/dbraw/zinc/53/51/14/597535114.db2.gz HISJXBSISYMLLR-MRVPVSSYSA-N -2 3 351.384 0.986 20 0 FCADHL CC(=O)NCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H](C)C(=O)[O-] ZINC000819753272 597690393 /nfs/dbraw/zinc/69/03/93/597690393.db2.gz YTKJVKRMEZJMOS-SECBINFHSA-N -2 3 351.359 0.402 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738140383 598307982 /nfs/dbraw/zinc/30/79/82/598307982.db2.gz UDBLRASDIUXYPI-LBPRGKRZSA-N -2 3 351.388 0.495 20 0 FCADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738140383 598307985 /nfs/dbraw/zinc/30/79/85/598307985.db2.gz UDBLRASDIUXYPI-LBPRGKRZSA-N -2 3 351.388 0.495 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000737761057 598367149 /nfs/dbraw/zinc/36/71/49/598367149.db2.gz PBQPOGPNUVKAIR-UHFFFAOYSA-N -2 3 363.334 0.301 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000738140896 598536915 /nfs/dbraw/zinc/53/69/15/598536915.db2.gz YUWDUWGETOABQM-JTQLQIEISA-N -2 3 351.388 0.239 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000738140896 598536916 /nfs/dbraw/zinc/53/69/16/598536916.db2.gz YUWDUWGETOABQM-JTQLQIEISA-N -2 3 351.388 0.239 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000738140898 598536990 /nfs/dbraw/zinc/53/69/90/598536990.db2.gz YUWDUWGETOABQM-SNVBAGLBSA-N -2 3 351.388 0.239 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000738140898 598536992 /nfs/dbraw/zinc/53/69/92/598536992.db2.gz YUWDUWGETOABQM-SNVBAGLBSA-N -2 3 351.388 0.239 20 0 FCADHL CS(=O)(=O)[N-]C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737165686 598565624 /nfs/dbraw/zinc/56/56/24/598565624.db2.gz LLKCCHLEASLTKI-UHFFFAOYSA-N -2 3 363.355 0.728 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000732045564 598673308 /nfs/dbraw/zinc/67/33/08/598673308.db2.gz LYOQQDJPVMLJPI-UHFFFAOYSA-N -2 3 363.359 0.486 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000736940594 598673822 /nfs/dbraw/zinc/67/38/22/598673822.db2.gz MHOCASIGEHUMAW-UHFFFAOYSA-N -2 3 363.359 0.486 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000736940594 598673824 /nfs/dbraw/zinc/67/38/24/598673824.db2.gz MHOCASIGEHUMAW-UHFFFAOYSA-N -2 3 363.359 0.486 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736658746 598752055 /nfs/dbraw/zinc/75/20/55/598752055.db2.gz ICOHIRORYKNJCE-UHFFFAOYSA-N -2 3 369.403 0.500 20 0 FCADHL CCS(=O)(=O)[N-]C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736658746 598752056 /nfs/dbraw/zinc/75/20/56/598752056.db2.gz ICOHIRORYKNJCE-UHFFFAOYSA-N -2 3 369.403 0.500 20 0 FCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)CC(F)(F)F ZINC000822929618 599626416 /nfs/dbraw/zinc/62/64/16/599626416.db2.gz VTKAEAASAVDPFZ-AATRIKPKSA-N -2 3 361.305 0.888 20 0 FCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)CC(F)(F)F ZINC000822929618 599626417 /nfs/dbraw/zinc/62/64/17/599626417.db2.gz VTKAEAASAVDPFZ-AATRIKPKSA-N -2 3 361.305 0.888 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNC(=O)Cc2cccc(F)c2)o1 ZINC000739344572 599777062 /nfs/dbraw/zinc/77/70/62/599777062.db2.gz CKXBUDSACQKNON-UHFFFAOYSA-N -2 3 370.358 0.754 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000826249785 607399495 /nfs/dbraw/zinc/39/94/95/607399495.db2.gz UTFHQPCTRFBOAK-LBPRGKRZSA-N -2 3 365.415 0.804 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000826249785 607399497 /nfs/dbraw/zinc/39/94/97/607399497.db2.gz UTFHQPCTRFBOAK-LBPRGKRZSA-N -2 3 365.415 0.804 20 0 FCADHL COC(=O)c1sc2[n-]c(CN3C[C@H](O)C[C@H]3C(=O)[O-])nc(=O)c2c1C ZINC000737724014 600138762 /nfs/dbraw/zinc/13/87/62/600138762.db2.gz RLUCUFWBDDZPMQ-SFYZADRCSA-N -2 3 367.383 0.099 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCCCO1 ZINC000823285452 607445664 /nfs/dbraw/zinc/44/56/64/607445664.db2.gz TYSKQHQQKULIJV-NSHDSACASA-N -2 3 371.806 0.894 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCCCO1 ZINC000823285452 607445666 /nfs/dbraw/zinc/44/56/66/607445666.db2.gz TYSKQHQQKULIJV-NSHDSACASA-N -2 3 371.806 0.894 20 0 FCADHL CC(C)(C)[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-] ZINC000736242453 600643283 /nfs/dbraw/zinc/64/32/83/600643283.db2.gz NQXZLNFVUYIAGA-MRVPVSSYSA-N -2 3 362.180 0.327 20 0 FCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833090382 600945363 /nfs/dbraw/zinc/94/53/63/600945363.db2.gz ZAOYGUYZVLXKMP-UHFFFAOYSA-N -2 3 368.296 0.865 20 0 FCADHL NC(=O)C1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000325080382 601235674 /nfs/dbraw/zinc/23/56/74/601235674.db2.gz ZZRZLRPXPADBBN-UHFFFAOYSA-N -2 3 362.354 0.985 20 0 FCADHL Cc1cc(NCCNC(=O)c2ccc([O-])cc2)n2nc(C(=O)[O-])nc2n1 ZINC000832897081 601249483 /nfs/dbraw/zinc/24/94/83/601249483.db2.gz KZDSWAGDKYDEKP-UHFFFAOYSA-N -2 3 356.342 0.678 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000821685849 607497280 /nfs/dbraw/zinc/49/72/80/607497280.db2.gz SBUAQCQYJJNIIZ-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000821685849 607497282 /nfs/dbraw/zinc/49/72/82/607497282.db2.gz SBUAQCQYJJNIIZ-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL CCOCCS(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830017583 601262940 /nfs/dbraw/zinc/26/29/40/601262940.db2.gz QTGHBGFUQAVXBG-JTQLQIEISA-N -2 3 362.429 0.508 20 0 FCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000831584097 601267007 /nfs/dbraw/zinc/26/70/07/601267007.db2.gz CNDFEWNPMDMCTC-LBPRGKRZSA-N -2 3 351.402 0.693 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1F ZINC000767057909 601608263 /nfs/dbraw/zinc/60/82/63/601608263.db2.gz NKQHFCHJLDHTEK-LBPRGKRZSA-N -2 3 374.390 0.438 20 0 FCADHL C[C@@H](CC(=O)NCCCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000769495003 602100843 /nfs/dbraw/zinc/10/08/43/602100843.db2.gz BPHNGUIHKJJZQH-VIFPVBQESA-N -2 3 363.823 0.773 20 0 FCADHL CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824237912 607629026 /nfs/dbraw/zinc/62/90/26/607629026.db2.gz WQUXPYOLXVJVTJ-SECBINFHSA-N -2 3 361.374 0.830 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]OCc1cccnc1 ZINC000826185961 607632284 /nfs/dbraw/zinc/63/22/84/607632284.db2.gz YWBKCYUIADGXTF-UHFFFAOYSA-N -2 3 369.341 0.457 20 0 FCADHL CC[C@@H](O)CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825153430 607645431 /nfs/dbraw/zinc/64/54/31/607645431.db2.gz HJKGQZJXBBUDKD-SECBINFHSA-N -2 3 361.374 0.974 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)c2cnc(C)s2)CCC(C(=O)[O-])CC1 ZINC000833701504 604703392 /nfs/dbraw/zinc/70/33/92/604703392.db2.gz CTKOXDZNNAOGPE-UHFFFAOYSA-N -2 3 362.429 0.916 20 0 FCADHL CC(C)C[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000833484804 604898394 /nfs/dbraw/zinc/89/83/94/604898394.db2.gz RXVPREVIDAXYCT-SECBINFHSA-N -2 3 372.407 0.726 20 0 FCADHL CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])CC2 ZINC000833677270 605028638 /nfs/dbraw/zinc/02/86/38/605028638.db2.gz KSFAJGFLJVZSPX-SSDOTTSWSA-N -2 3 357.417 0.289 20 0 FCADHL C[C@H](CS(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000833519188 605212096 /nfs/dbraw/zinc/21/20/96/605212096.db2.gz NODQYARGWCVKFE-LLVKDONJSA-N -2 3 356.400 0.201 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000823387555 606179075 /nfs/dbraw/zinc/17/90/75/606179075.db2.gz OQTTUCYKRBPBBG-UHFFFAOYSA-N -2 3 351.388 0.493 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000823387555 606179076 /nfs/dbraw/zinc/17/90/76/606179076.db2.gz OQTTUCYKRBPBBG-UHFFFAOYSA-N -2 3 351.388 0.493 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)s1 ZINC000822267288 606406367 /nfs/dbraw/zinc/40/63/67/606406367.db2.gz QZUSALGHHHDRHB-UHFFFAOYSA-N -2 3 352.401 0.694 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)s1 ZINC000822267288 606406369 /nfs/dbraw/zinc/40/63/69/606406369.db2.gz QZUSALGHHHDRHB-UHFFFAOYSA-N -2 3 352.401 0.694 20 0 FCADHL O=C(CCOCC1CC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822974493 606407046 /nfs/dbraw/zinc/40/70/46/606407046.db2.gz PLUMYVVCFJVDOI-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CCOCC1CC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822974493 606407048 /nfs/dbraw/zinc/40/70/48/606407048.db2.gz PLUMYVVCFJVDOI-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000821566781 606437264 /nfs/dbraw/zinc/43/72/64/606437264.db2.gz TWBHBFRCOCBUGS-UHFFFAOYSA-N -2 3 361.387 0.131 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821566781 606437266 /nfs/dbraw/zinc/43/72/66/606437266.db2.gz TWBHBFRCOCBUGS-UHFFFAOYSA-N -2 3 361.387 0.131 20 0 FCADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1C ZINC000821667812 606591007 /nfs/dbraw/zinc/59/10/07/606591007.db2.gz BDUYTAZWFFZINQ-UHFFFAOYSA-N -2 3 362.371 0.793 20 0 FCADHL CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc([O-])n(C)c1=O ZINC000821123241 606642088 /nfs/dbraw/zinc/64/20/88/606642088.db2.gz NROVKKVWTJWNQA-UHFFFAOYSA-N -2 3 370.373 0.740 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc3cccnc32)n1 ZINC000822623411 606711166 /nfs/dbraw/zinc/71/11/66/606711166.db2.gz WEPHYUKLYIRFLJ-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cn1 ZINC000821566494 606820330 /nfs/dbraw/zinc/82/03/30/606820330.db2.gz HCHPTSNLVMBOSP-UHFFFAOYSA-N -2 3 362.419 0.950 20 0 FCADHL CC(C)C(=O)NCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820012198 606884153 /nfs/dbraw/zinc/88/41/53/606884153.db2.gz WFHWCKOJEIXOPO-UHFFFAOYSA-N -2 3 374.373 0.195 20 0 FCADHL C[S@](=O)CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821941695 606892432 /nfs/dbraw/zinc/89/24/32/606892432.db2.gz IEGCZLLYQOPHGA-QFIPXVFZSA-N -2 3 365.387 0.192 20 0 FCADHL O=S(=O)([N-]CCOC1CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578884 606895065 /nfs/dbraw/zinc/89/50/65/606895065.db2.gz VNOVEDJPBIJQOI-UHFFFAOYSA-N -2 3 359.358 0.992 20 0 FCADHL O=S(=O)([N-]CCn1cccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578685 606896373 /nfs/dbraw/zinc/89/63/73/606896373.db2.gz STVUOGZBIGEAHD-UHFFFAOYSA-N -2 3 354.342 0.925 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000821700221 607109191 /nfs/dbraw/zinc/10/91/91/607109191.db2.gz HQXVDZCXODFUDH-LLVKDONJSA-N -2 3 361.358 0.624 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000820536501 607109859 /nfs/dbraw/zinc/10/98/59/607109859.db2.gz VFIDYLTTYBPHON-JTQLQIEISA-N -2 3 361.358 0.072 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000820536501 607109860 /nfs/dbraw/zinc/10/98/60/607109860.db2.gz VFIDYLTTYBPHON-JTQLQIEISA-N -2 3 361.358 0.072 20 0 FCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000820542864 607110453 /nfs/dbraw/zinc/11/04/53/607110453.db2.gz RRKVTDJZTPTFFX-WDEREUQCSA-N -2 3 361.358 0.336 20 0 FCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000820542864 607110454 /nfs/dbraw/zinc/11/04/54/607110454.db2.gz RRKVTDJZTPTFFX-WDEREUQCSA-N -2 3 361.358 0.336 20 0 FCADHL CCCC[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000821043692 607206408 /nfs/dbraw/zinc/20/64/08/607206408.db2.gz SSNJAGNSSZVALJ-LBPRGKRZSA-N -2 3 353.404 0.930 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450344 607777571 /nfs/dbraw/zinc/77/75/71/607777571.db2.gz HXDVUIPVUPPLAO-UHFFFAOYSA-N -2 3 373.398 0.228 20 0 FCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450344 607777572 /nfs/dbraw/zinc/77/75/72/607777572.db2.gz HXDVUIPVUPPLAO-UHFFFAOYSA-N -2 3 373.398 0.228 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000826282307 607806520 /nfs/dbraw/zinc/80/65/20/607806520.db2.gz IELYJXIYALRWFX-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826282307 607806521 /nfs/dbraw/zinc/80/65/21/607806521.db2.gz IELYJXIYALRWFX-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(Cl)cnc2N)n1 ZINC000826357878 607846438 /nfs/dbraw/zinc/84/64/38/607846438.db2.gz UWKLLXAXLZSZIW-UHFFFAOYSA-N -2 3 355.771 0.032 20 0 FCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)CC1CCC1 ZINC000826419468 607860884 /nfs/dbraw/zinc/86/08/84/607860884.db2.gz YTKBGPCVHXTCCV-UHFFFAOYSA-N -2 3 351.388 0.492 20 0 FCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)CC1CCC1 ZINC000826419468 607860885 /nfs/dbraw/zinc/86/08/85/607860885.db2.gz YTKBGPCVHXTCCV-UHFFFAOYSA-N -2 3 351.388 0.492 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826147852 607923832 /nfs/dbraw/zinc/92/38/32/607923832.db2.gz NYPWIBYCQBLOPJ-UHFFFAOYSA-N -2 3 353.404 0.485 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826147852 607923833 /nfs/dbraw/zinc/92/38/33/607923833.db2.gz NYPWIBYCQBLOPJ-UHFFFAOYSA-N -2 3 353.404 0.485 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826409284 607985642 /nfs/dbraw/zinc/98/56/42/607985642.db2.gz QEXZPMUBFGNVJX-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826409284 607985643 /nfs/dbraw/zinc/98/56/43/607985643.db2.gz QEXZPMUBFGNVJX-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826461383 608011467 /nfs/dbraw/zinc/01/14/67/608011467.db2.gz RQIKEEHVTKHVES-VIFPVBQESA-N -2 3 369.378 0.881 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2ccccc21 ZINC000826362284 608076620 /nfs/dbraw/zinc/07/66/20/608076620.db2.gz LVLGSRZNMQYVRO-UHFFFAOYSA-N -2 3 371.382 0.805 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2ccccc21 ZINC000826362284 608076621 /nfs/dbraw/zinc/07/66/21/608076621.db2.gz LVLGSRZNMQYVRO-UHFFFAOYSA-N -2 3 371.382 0.805 20 0 FCADHL O=S(=O)([N-]CC[C@H]1CCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826491178 608126173 /nfs/dbraw/zinc/12/61/73/608126173.db2.gz WZABDKQFGVPECJ-QMMMGPOBSA-N -2 3 359.358 0.850 20 0 FCADHL Cn1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000826363510 608238904 /nfs/dbraw/zinc/23/89/04/608238904.db2.gz PTBITTHYZMDLNQ-UHFFFAOYSA-N -2 3 355.330 0.357 20 0 FCADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)ccc1C ZINC000823999896 608306900 /nfs/dbraw/zinc/30/69/00/608306900.db2.gz MEBNMAYSCHMRTI-UHFFFAOYSA-N -2 3 362.375 0.657 20 0 FCADHL Cc1ocnc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826343224 608443404 /nfs/dbraw/zinc/44/34/04/608443404.db2.gz RMJZNIOJSQOJKT-UHFFFAOYSA-N -2 3 356.314 0.920 20 0 FCADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000824206450 608443899 /nfs/dbraw/zinc/44/38/99/608443899.db2.gz DSXAYFWANVFDMY-LBPRGKRZSA-N -2 3 359.346 0.837 20 0 FCADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000824206450 608443900 /nfs/dbraw/zinc/44/39/00/608443900.db2.gz DSXAYFWANVFDMY-LBPRGKRZSA-N -2 3 359.346 0.837 20 0 FCADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825066793 608473499 /nfs/dbraw/zinc/47/34/99/608473499.db2.gz FCDYSMFSVNKSFO-QMMMGPOBSA-N -2 3 357.367 0.880 20 0 FCADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825066793 608473500 /nfs/dbraw/zinc/47/35/00/608473500.db2.gz FCDYSMFSVNKSFO-QMMMGPOBSA-N -2 3 357.367 0.880 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826222195 608820163 /nfs/dbraw/zinc/82/01/63/608820163.db2.gz NIAOKKIJSJDHBN-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826222195 608820164 /nfs/dbraw/zinc/82/01/64/608820164.db2.gz NIAOKKIJSJDHBN-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826449705 609139746 /nfs/dbraw/zinc/13/97/46/609139746.db2.gz GIEKKQIZBUAQJJ-XQQFMLRXSA-N -2 3 363.399 0.238 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826449705 609139748 /nfs/dbraw/zinc/13/97/48/609139748.db2.gz GIEKKQIZBUAQJJ-XQQFMLRXSA-N -2 3 363.399 0.238 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCOC1 ZINC000824784460 609352322 /nfs/dbraw/zinc/35/23/22/609352322.db2.gz UGQLVUQBAQKGPI-CQSZACIVSA-N -2 3 351.388 0.488 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCOC1 ZINC000824784460 609352327 /nfs/dbraw/zinc/35/23/27/609352327.db2.gz UGQLVUQBAQKGPI-CQSZACIVSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826422307 609366700 /nfs/dbraw/zinc/36/67/00/609366700.db2.gz UEZHRQXVNUXJDP-GFCCVEGCSA-N -2 3 351.388 0.034 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826422307 609366703 /nfs/dbraw/zinc/36/67/03/609366703.db2.gz UEZHRQXVNUXJDP-GFCCVEGCSA-N -2 3 351.388 0.034 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC000825643971 609406186 /nfs/dbraw/zinc/40/61/86/609406186.db2.gz YTXDGWPFPLFNQM-UHFFFAOYSA-N -2 3 363.359 0.107 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC000825643971 609406188 /nfs/dbraw/zinc/40/61/88/609406188.db2.gz YTXDGWPFPLFNQM-UHFFFAOYSA-N -2 3 363.359 0.107 20 0 FCADHL COc1c([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cccc1C(N)=O ZINC000826167193 609457020 /nfs/dbraw/zinc/45/70/20/609457020.db2.gz SVSZWIYPCGPDBQ-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL COc1c([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cccc1C(N)=O ZINC000826167193 609457022 /nfs/dbraw/zinc/45/70/22/609457022.db2.gz SVSZWIYPCGPDBQ-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][N-]C(=O)c1ccccn1 ZINC000066574881 664034060 /nfs/dbraw/zinc/03/40/60/664034060.db2.gz ZKTWRRDSDIKRRZ-UHFFFAOYSA-N -2 3 353.331 0.631 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)Cc2ccccc2F)o1 ZINC000066839810 664234958 /nfs/dbraw/zinc/23/49/58/664234958.db2.gz NNYMXKVAWIJQEW-UHFFFAOYSA-N -2 3 355.347 0.331 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-] ZINC000262486484 665156297 /nfs/dbraw/zinc/15/62/97/665156297.db2.gz SRXNPFVEVPCKTB-QMMMGPOBSA-N -2 3 350.418 0.955 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H](C)CC(=O)[O-])CCCC1 ZINC000262902068 665216994 /nfs/dbraw/zinc/21/69/94/665216994.db2.gz BMOGXCVZSRTVQG-SECBINFHSA-N -2 3 373.431 0.862 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)Cc2ccc(Cl)cc2)o1 ZINC000031543309 666105712 /nfs/dbraw/zinc/10/57/12/666105712.db2.gz RQVHSGMFWCKVMO-UHFFFAOYSA-N -2 3 371.802 0.845 20 0 FCADHL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-][N-]C(=O)C1CCCC1 ZINC000055586778 666543762 /nfs/dbraw/zinc/54/37/62/666543762.db2.gz LYXKNWAGYIYXGI-UHFFFAOYSA-N -2 3 360.457 0.898 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1F ZINC000754356288 667593982 /nfs/dbraw/zinc/59/39/82/667593982.db2.gz TVXZWYCJRMJGSD-UHFFFAOYSA-N -2 3 357.367 0.266 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)co1 ZINC000756407214 667673476 /nfs/dbraw/zinc/67/34/76/667673476.db2.gz ZDKQBEUFALXYPL-UHFFFAOYSA-N -2 3 366.351 0.301 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)cn1 ZINC000759832104 667823339 /nfs/dbraw/zinc/82/33/39/667823339.db2.gz IBXBSDZOGCXXHI-UHFFFAOYSA-N -2 3 352.372 0.250 20 0 FCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])s1 ZINC000776589381 668275136 /nfs/dbraw/zinc/27/51/36/668275136.db2.gz LHOUIYWQLMOCSR-SSDOTTSWSA-N -2 3 351.402 0.932 20 0 FCADHL Cc1nc(C)c(CC(=O)OCCOCC[N-]C(=O)C(F)(F)F)c(=O)[n-]1 ZINC000782645366 668573611 /nfs/dbraw/zinc/57/36/11/668573611.db2.gz BKOHIMLDUSMZRU-UHFFFAOYSA-N -2 3 365.308 0.580 20 0 FCADHL CC(C)[C@@H](F)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784525874 668662072 /nfs/dbraw/zinc/66/20/72/668662072.db2.gz NZIUOGGWQFIQNU-LLVKDONJSA-N -2 3 370.399 0.996 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc(=O)[nH][n-]1 ZINC000791351521 668888813 /nfs/dbraw/zinc/88/88/13/668888813.db2.gz GIPJNVZUIPTWDN-UHFFFAOYSA-N -2 3 364.305 0.891 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)n2[n-]c(=O)c3ccc(OC)cc32)co1 ZINC000819955303 669043952 /nfs/dbraw/zinc/04/39/52/669043952.db2.gz JRARYDIOHKPPPU-UHFFFAOYSA-N -2 3 351.340 0.940 20 0 FCADHL COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821657406 669209577 /nfs/dbraw/zinc/20/95/77/669209577.db2.gz NJDIGVICLHTSBO-SECBINFHSA-N -2 3 367.387 0.012 20 0 FCADHL COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821657406 669209579 /nfs/dbraw/zinc/20/95/79/669209579.db2.gz NJDIGVICLHTSBO-SECBINFHSA-N -2 3 367.387 0.012 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824867957 669422160 /nfs/dbraw/zinc/42/21/60/669422160.db2.gz RPESUJZMPOPQPE-MFKMUULPSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824867957 669422167 /nfs/dbraw/zinc/42/21/67/669422167.db2.gz RPESUJZMPOPQPE-MFKMUULPSA-N -2 3 365.415 0.628 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000826153013 669486108 /nfs/dbraw/zinc/48/61/08/669486108.db2.gz YDSZXRZUUQFXKB-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000826153013 669486113 /nfs/dbraw/zinc/48/61/13/669486113.db2.gz YDSZXRZUUQFXKB-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL CCOC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000812448825 669804911 /nfs/dbraw/zinc/80/49/11/669804911.db2.gz DNWWRLAPFGHYNZ-MRVPVSSYSA-N -2 3 367.326 0.519 20 0 FCADHL CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840891702 670524168 /nfs/dbraw/zinc/52/41/68/670524168.db2.gz ZOKQIUOTEVTLMW-QPUJVOFHSA-N -2 3 365.354 0.993 20 0 FCADHL Cn1cc(C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])cn1 ZINC000844785013 670942700 /nfs/dbraw/zinc/94/27/00/670942700.db2.gz DVSKAJASEHXDLF-JTQLQIEISA-N -2 3 362.770 0.582 20 0 FCADHL CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844895381 670954224 /nfs/dbraw/zinc/95/42/24/670954224.db2.gz MSAHAPDIRVLWFS-SSDOTTSWSA-N -2 3 371.383 0.765 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@@]2(O)CCCOC2)c(F)cc1F ZINC000844901295 670954740 /nfs/dbraw/zinc/95/47/40/670954740.db2.gz GCAUEPDEIJQLGE-AWEZNQCLSA-N -2 3 365.354 0.873 20 0 FCADHL Cc1cc(=O)oc2cc([O-])c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc12 ZINC001226532566 1225846048 /nfs/dbraw/zinc/84/60/48/1225846048.db2.gz TVWRJOXCZGQUKV-CLAHSXSESA-N -3 3 366.278 0.249 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c(C)nc[n-]c2=O)c1[O-] ZINC001002057079 1252424342 /nfs/dbraw/zinc/42/43/42/1252424342.db2.gz RAPVDWYXZRZBJM-MXWKQRLJSA-N -2 3 372.385 0.403 20 0 FCADHL C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001580345801 1278143536 /nfs/dbraw/zinc/14/35/36/1278143536.db2.gz GWUOXKCCWHUOIA-ZYHUDNBSSA-N -2 3 366.385 0.617 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001580385709 1278206531 /nfs/dbraw/zinc/20/65/31/1278206531.db2.gz DFUGZFXVOWNNCU-ZJUUUORDSA-N -2 3 367.373 0.155 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cnccn1 ZINC001580441198 1278301247 /nfs/dbraw/zinc/30/12/47/1278301247.db2.gz IHPGAOGOZHMTHD-ZETCQYMHSA-N -2 3 367.341 0.974 20 0 FCADHL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001580456174 1278329521 /nfs/dbraw/zinc/32/95/21/1278329521.db2.gz JBQOXBOLMXRGAK-YUMQZZPRSA-N -2 3 356.312 0.693 20 0 FCADHL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001580456174 1278329530 /nfs/dbraw/zinc/32/95/30/1278329530.db2.gz JBQOXBOLMXRGAK-YUMQZZPRSA-N -2 3 356.312 0.693 20 0 FCADHL Cn1nc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)cc1C(F)(F)F ZINC001542221420 1267492305 /nfs/dbraw/zinc/49/23/05/1267492305.db2.gz DYNCLKISYKTQSI-UHFFFAOYSA-N -2 3 370.338 0.914 20 0 FCADHL Cc1ccc(C(=O)NCCC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)c([O-])c1 ZINC001549305913 1267900137 /nfs/dbraw/zinc/90/01/37/1267900137.db2.gz MGEDKTGIZHJCBQ-KPZWWZAWSA-N -2 3 362.382 0.380 20 0 FCADHL CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nn[n-]n1 ZINC001566227215 1269624493 /nfs/dbraw/zinc/62/44/93/1269624493.db2.gz QQCFUOLUIIVHDW-JTQLQIEISA-N -2 3 374.373 0.414 20 0 FCADHL C[C@@H](C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1[O-] ZINC001574543901 1271329284 /nfs/dbraw/zinc/32/92/84/1271329284.db2.gz SYXRAKXWXMLWSK-UWVGGRQHSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@@H](C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1[O-] ZINC001574543901 1271329293 /nfs/dbraw/zinc/32/92/93/1271329293.db2.gz SYXRAKXWXMLWSK-UWVGGRQHSA-N -2 3 369.389 0.766 20 0 FCADHL C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001574629350 1271426982 /nfs/dbraw/zinc/42/69/82/1271426982.db2.gz QVPRGSMJYQGGPE-VIFPVBQESA-N -2 3 370.373 0.234 20 0 FCADHL C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001574629350 1271426986 /nfs/dbraw/zinc/42/69/86/1271426986.db2.gz QVPRGSMJYQGGPE-VIFPVBQESA-N -2 3 370.373 0.234 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574650110 1271448862 /nfs/dbraw/zinc/44/88/62/1271448862.db2.gz DAZRYVNPXDTREB-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574651254 1271448958 /nfs/dbraw/zinc/44/89/58/1271448958.db2.gz VOCJLJWADNLEOC-SECBINFHSA-N -2 3 370.373 0.234 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574651254 1271448964 /nfs/dbraw/zinc/44/89/64/1271448964.db2.gz VOCJLJWADNLEOC-SECBINFHSA-N -2 3 370.373 0.234 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574651409 1271451457 /nfs/dbraw/zinc/45/14/57/1271451457.db2.gz YKMWTEDQSUSDSV-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CCNC(=O)c1ncccc1[O-])Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574651409 1271451467 /nfs/dbraw/zinc/45/14/67/1271451467.db2.gz YKMWTEDQSUSDSV-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575357304 1271990925 /nfs/dbraw/zinc/99/09/25/1271990925.db2.gz XNHLQJKVMATIEZ-BDAKNGLRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001575357304 1271990939 /nfs/dbraw/zinc/99/09/39/1271990939.db2.gz XNHLQJKVMATIEZ-BDAKNGLRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575844530 1272516918 /nfs/dbraw/zinc/51/69/18/1272516918.db2.gz WVEPFDWQGZERPY-MRXNPFEDSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575844530 1272516922 /nfs/dbraw/zinc/51/69/22/1272516922.db2.gz WVEPFDWQGZERPY-MRXNPFEDSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1ncccc1[O-] ZINC001576062796 1272810260 /nfs/dbraw/zinc/81/02/60/1272810260.db2.gz SLQTVERHOQFPNS-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1ncccc1[O-] ZINC001576062796 1272810273 /nfs/dbraw/zinc/81/02/73/1272810273.db2.gz SLQTVERHOQFPNS-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576850320 1273801300 /nfs/dbraw/zinc/80/13/00/1273801300.db2.gz CQQYRZINXBLPGD-MRVPVSSYSA-N -2 3 358.366 0.014 20 0 FCADHL CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576850320 1273801306 /nfs/dbraw/zinc/80/13/06/1273801306.db2.gz CQQYRZINXBLPGD-MRVPVSSYSA-N -2 3 358.366 0.014 20 0 FCADHL CC[C@@H](CNC(=O)c1ccccc1[O-])Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576900593 1273903059 /nfs/dbraw/zinc/90/30/59/1273903059.db2.gz PTYWZZNVBVVWIJ-JTQLQIEISA-N -2 3 354.374 0.405 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576919535 1273939942 /nfs/dbraw/zinc/93/99/42/1273939942.db2.gz SXFSLEBSHFOVSC-JTQLQIEISA-N -2 3 370.373 0.234 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576919535 1273939947 /nfs/dbraw/zinc/93/99/47/1273939947.db2.gz SXFSLEBSHFOVSC-JTQLQIEISA-N -2 3 370.373 0.234 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nc1 ZINC001576919155 1273940130 /nfs/dbraw/zinc/94/01/30/1273940130.db2.gz QZNIKAZZCIQVNZ-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576919155 1273940134 /nfs/dbraw/zinc/94/01/34/1273940134.db2.gz QZNIKAZZCIQVNZ-JTQLQIEISA-N -2 3 354.374 0.983 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nc1 ZINC001576919156 1273940977 /nfs/dbraw/zinc/94/09/77/1273940977.db2.gz QZNIKAZZCIQVNZ-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576919156 1273940979 /nfs/dbraw/zinc/94/09/79/1273940979.db2.gz QZNIKAZZCIQVNZ-SNVBAGLBSA-N -2 3 354.374 0.983 20 0 FCADHL CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)c1ncccc1[O-] ZINC001578144378 1275443190 /nfs/dbraw/zinc/44/31/90/1275443190.db2.gz XQFNDALQQAIXJQ-UHFFFAOYSA-N -2 3 355.362 0.332 20 0 FCADHL CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)c1ncccc1[O-] ZINC001578144378 1275443193 /nfs/dbraw/zinc/44/31/93/1275443193.db2.gz XQFNDALQQAIXJQ-UHFFFAOYSA-N -2 3 355.362 0.332 20 0 FCADHL CCOC(=O)Cn1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)n1 ZINC001578246243 1275547806 /nfs/dbraw/zinc/54/78/06/1275547806.db2.gz ILXRXZHXIBVRTL-UHFFFAOYSA-N -2 3 357.330 0.584 20 0 FCADHL CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579140638 1276853455 /nfs/dbraw/zinc/85/34/55/1276853455.db2.gz LMWSZMDNXDCVCK-UHFFFAOYSA-N -2 3 370.373 0.140 20 0 FCADHL CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579140638 1276853470 /nfs/dbraw/zinc/85/34/70/1276853470.db2.gz LMWSZMDNXDCVCK-UHFFFAOYSA-N -2 3 370.373 0.140 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)c1ncc(Br)cc1-c1nnn[n-]1 ZINC001579268550 1277067025 /nfs/dbraw/zinc/06/70/25/1277067025.db2.gz XAXASGSZJLXADZ-UHFFFAOYSA-N -2 3 353.140 0.749 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)c1ncc(Br)cc1-c1nn[n-]n1 ZINC001579268550 1277067027 /nfs/dbraw/zinc/06/70/27/1277067027.db2.gz XAXASGSZJLXADZ-UHFFFAOYSA-N -2 3 353.140 0.749 20 0 FCADHL COC(=O)C[C@@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)(C)C ZINC001579446618 1277332609 /nfs/dbraw/zinc/33/26/09/1277332609.db2.gz YAYOAVCYRDHVND-LLVKDONJSA-N -2 3 374.405 0.682 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(N2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC001581080977 1279341489 /nfs/dbraw/zinc/34/14/89/1279341489.db2.gz VPOYHMSCNFOFND-UHFFFAOYSA-N -2 3 366.385 0.633 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)c(N2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC001581080977 1279341496 /nfs/dbraw/zinc/34/14/96/1279341496.db2.gz VPOYHMSCNFOFND-UHFFFAOYSA-N -2 3 366.385 0.633 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001581134633 1279436058 /nfs/dbraw/zinc/43/60/58/1279436058.db2.gz ZQKHDLPFDQPJLX-UHFFFAOYSA-N -2 3 374.382 0.780 20 0 FCADHL CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603315633 1287351781 /nfs/dbraw/zinc/35/17/81/1287351781.db2.gz IGKWYAHBSLQTTK-QMMMGPOBSA-N -2 3 357.367 0.878 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581391543 1279822137 /nfs/dbraw/zinc/82/21/37/1279822137.db2.gz TXQIUJVRNNUUNC-QMMMGPOBSA-N -2 3 357.378 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581391543 1279822139 /nfs/dbraw/zinc/82/21/39/1279822139.db2.gz TXQIUJVRNNUUNC-QMMMGPOBSA-N -2 3 357.378 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)c1[O-] ZINC001581391816 1279823348 /nfs/dbraw/zinc/82/33/48/1279823348.db2.gz XNYHPLMAQSSKJA-SFYZADRCSA-N -2 3 372.393 0.403 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581391988 1279824612 /nfs/dbraw/zinc/82/46/12/1279824612.db2.gz REQAAWCPXPRNLQ-MRVPVSSYSA-N -2 3 357.378 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581391988 1279824618 /nfs/dbraw/zinc/82/46/18/1279824618.db2.gz REQAAWCPXPRNLQ-MRVPVSSYSA-N -2 3 357.378 0.254 20 0 FCADHL Cc1n[nH]c(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)c1[O-] ZINC001581392195 1279824856 /nfs/dbraw/zinc/82/48/56/1279824856.db2.gz ZNHOCSKHQZWKJT-UHFFFAOYSA-N -2 3 370.377 0.158 20 0 FCADHL Cc1n[nH]c(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)c1[O-] ZINC001581392195 1279824865 /nfs/dbraw/zinc/82/48/65/1279824865.db2.gz ZNHOCSKHQZWKJT-UHFFFAOYSA-N -2 3 370.377 0.158 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1[O-] ZINC001581392202 1279826046 /nfs/dbraw/zinc/82/60/46/1279826046.db2.gz ZSAHJWSPSGYXCA-ZETCQYMHSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1[O-] ZINC001581392202 1279826052 /nfs/dbraw/zinc/82/60/52/1279826052.db2.gz ZSAHJWSPSGYXCA-ZETCQYMHSA-N -2 3 358.366 0.014 20 0 FCADHL CCOCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609240376 1289015469 /nfs/dbraw/zinc/01/54/69/1289015469.db2.gz ZSDMJCHXIPJPFD-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL CCOCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609240376 1289015477 /nfs/dbraw/zinc/01/54/77/1289015477.db2.gz ZSDMJCHXIPJPFD-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL C[C@H](CN(C)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001603509596 1287395247 /nfs/dbraw/zinc/39/52/47/1287395247.db2.gz HIIUSWVBMUXONJ-MRVPVSSYSA-N -2 3 357.367 0.488 20 0 FCADHL C[C@H](CN(C)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001603509596 1287395252 /nfs/dbraw/zinc/39/52/52/1287395252.db2.gz HIIUSWVBMUXONJ-MRVPVSSYSA-N -2 3 357.367 0.488 20 0 FCADHL Cc1nocc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001581643574 1280326875 /nfs/dbraw/zinc/32/68/75/1280326875.db2.gz GXZVWFAGKCNKKZ-UHFFFAOYSA-N -2 3 356.314 0.920 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001603751574 1287487917 /nfs/dbraw/zinc/48/79/17/1287487917.db2.gz KNKLZWCWJMPPAK-UHFFFAOYSA-N -2 3 369.378 0.881 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001603751574 1287487922 /nfs/dbraw/zinc/48/79/22/1287487922.db2.gz KNKLZWCWJMPPAK-UHFFFAOYSA-N -2 3 369.378 0.881 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603844282 1287515472 /nfs/dbraw/zinc/51/54/72/1287515472.db2.gz CSLBOSZNQWFRIZ-ZWNOBZJWSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)CC[C@H]1C(=O)[O-] ZINC001603912886 1287529685 /nfs/dbraw/zinc/52/96/85/1287529685.db2.gz LQVDWYUARSKJBL-HTQZYQBOSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1CN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)CC[C@H]1C(=O)[O-] ZINC001603912886 1287529689 /nfs/dbraw/zinc/52/96/89/1287529689.db2.gz LQVDWYUARSKJBL-HTQZYQBOSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1C(=O)[O-] ZINC001603920606 1287534799 /nfs/dbraw/zinc/53/47/99/1287534799.db2.gz KCDWLXXFMUTYEA-RISCZKNCSA-N -2 3 374.401 0.998 20 0 FCADHL O=C(c1ccccc1[O-])N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nnn[n-]2)n1 ZINC001582712067 1281917935 /nfs/dbraw/zinc/91/79/35/1281917935.db2.gz BJSWBTOLKJBBHT-QWRGUYRKSA-N -2 3 364.369 0.466 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001582751584 1281975992 /nfs/dbraw/zinc/97/59/92/1281975992.db2.gz MQRAHNSWJXFHCA-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001582751584 1281976000 /nfs/dbraw/zinc/97/60/00/1281976000.db2.gz MQRAHNSWJXFHCA-JTQLQIEISA-N -2 3 367.373 0.474 20 0 FCADHL C[C@H]1CN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)CC[C@H]1C(=O)[O-] ZINC001603940640 1287541404 /nfs/dbraw/zinc/54/14/04/1287541404.db2.gz JHIALNDBUTXUFS-DTWKUNHWSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1CN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)CC[C@H]1C(=O)[O-] ZINC001603940640 1287541406 /nfs/dbraw/zinc/54/14/06/1287541406.db2.gz JHIALNDBUTXUFS-DTWKUNHWSA-N -2 3 366.403 0.061 20 0 FCADHL O=C1c2ccccc2CCN1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001582790670 1282006516 /nfs/dbraw/zinc/00/65/16/1282006516.db2.gz LETPFSBURNRKER-UHFFFAOYSA-N -2 3 371.382 0.154 20 0 FCADHL O=C1c2ccccc2CCN1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001582790670 1282006524 /nfs/dbraw/zinc/00/65/24/1282006524.db2.gz LETPFSBURNRKER-UHFFFAOYSA-N -2 3 371.382 0.154 20 0 FCADHL O=S(=O)(NCc1ccnc(-c2nnn[n-]2)c1)c1cc([O-])cc(F)c1 ZINC001582797145 1282017973 /nfs/dbraw/zinc/01/79/73/1282017973.db2.gz FURYTOZPNJCSFI-UHFFFAOYSA-N -2 3 350.335 0.585 20 0 FCADHL O=c1cc(CN2CCOC[C@H]2CC2CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814283 1282036897 /nfs/dbraw/zinc/03/68/97/1282036897.db2.gz CSYRNIAYWUBJPO-GFCCVEGCSA-N -2 3 356.390 0.616 20 0 FCADHL CCC(CC)(CNC(=O)C(=O)Nc1sccc1-c1nnn[n-]1)C(=O)[O-] ZINC001604018916 1287554209 /nfs/dbraw/zinc/55/42/09/1287554209.db2.gz AXXKJTJERIPGEP-UHFFFAOYSA-N -2 3 366.403 0.874 20 0 FCADHL CCC(CC)(CNC(=O)C(=O)Nc1sccc1-c1nn[n-]n1)C(=O)[O-] ZINC001604018916 1287554212 /nfs/dbraw/zinc/55/42/12/1287554212.db2.gz AXXKJTJERIPGEP-UHFFFAOYSA-N -2 3 366.403 0.874 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001604096295 1287570087 /nfs/dbraw/zinc/57/00/87/1287570087.db2.gz GRKQUMZMSLLUFB-KOLCDFICSA-N -2 3 369.378 0.880 20 0 FCADHL CC(C)(C(=O)[N-]S(=O)(=O)C(F)F)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589054882 1282786971 /nfs/dbraw/zinc/78/69/71/1282786971.db2.gz VFXIOMYOVJYGQW-UHFFFAOYSA-N -2 3 363.321 0.952 20 0 FCADHL CC(C)(C(=O)[N-]S(=O)(=O)C(F)F)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589054882 1282786982 /nfs/dbraw/zinc/78/69/82/1282786982.db2.gz VFXIOMYOVJYGQW-UHFFFAOYSA-N -2 3 363.321 0.952 20 0 FCADHL C[C@H](CCC(=O)[O-])CNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589803344 1283019118 /nfs/dbraw/zinc/01/91/18/1283019118.db2.gz ORYOLUJQOJNSNA-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL C[C@H](CCC(=O)[O-])CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589803344 1283019126 /nfs/dbraw/zinc/01/91/26/1283019126.db2.gz ORYOLUJQOJNSNA-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL C[C@@H](CCC(=O)[O-])CNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589803343 1283019369 /nfs/dbraw/zinc/01/93/69/1283019369.db2.gz ORYOLUJQOJNSNA-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL C[C@@H](CCC(=O)[O-])CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589803343 1283019380 /nfs/dbraw/zinc/01/93/80/1283019380.db2.gz ORYOLUJQOJNSNA-JTQLQIEISA-N -2 3 353.404 0.787 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)NCc1ccccc1 ZINC001604357706 1287613265 /nfs/dbraw/zinc/61/32/65/1287613265.db2.gz DUICZSRIOWIRQE-SECBINFHSA-N -2 3 369.424 0.825 20 0 FCADHL C[C@H](CCNS(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589829310 1283068601 /nfs/dbraw/zinc/06/86/01/1283068601.db2.gz CVDFMJXNQUUBFX-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@H](CCNS(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589829310 1283068609 /nfs/dbraw/zinc/06/86/09/1283068609.db2.gz CVDFMJXNQUUBFX-SSDOTTSWSA-N -2 3 359.795 0.909 20 0 FCADHL C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]S(=O)(=O)CC(F)F ZINC001589898196 1283113653 /nfs/dbraw/zinc/11/36/53/1283113653.db2.gz WXFQNWRPKGYMCX-QMMMGPOBSA-N -2 3 359.358 0.756 20 0 FCADHL C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC(F)F ZINC001589898196 1283113655 /nfs/dbraw/zinc/11/36/55/1283113655.db2.gz WXFQNWRPKGYMCX-QMMMGPOBSA-N -2 3 359.358 0.756 20 0 FCADHL C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]S(=O)(=O)CCCF ZINC001589897334 1283114722 /nfs/dbraw/zinc/11/47/22/1283114722.db2.gz HBLXYEIMWBWOMZ-JTQLQIEISA-N -2 3 355.395 0.851 20 0 FCADHL C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CCCF ZINC001589897334 1283114728 /nfs/dbraw/zinc/11/47/28/1283114728.db2.gz HBLXYEIMWBWOMZ-JTQLQIEISA-N -2 3 355.395 0.851 20 0 FCADHL C[C@@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl)[C@H](C)C(=O)[O-] ZINC001589973962 1283150332 /nfs/dbraw/zinc/15/03/32/1283150332.db2.gz KLSUJTBQJSKMNP-NKWVEPMBSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589972834 1283150611 /nfs/dbraw/zinc/15/06/11/1283150611.db2.gz ACDYBZSQFVLIEX-MRVPVSSYSA-N -2 3 362.371 0.933 20 0 FCADHL C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589972834 1283150616 /nfs/dbraw/zinc/15/06/16/1283150616.db2.gz ACDYBZSQFVLIEX-MRVPVSSYSA-N -2 3 362.371 0.933 20 0 FCADHL C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589997152 1283164889 /nfs/dbraw/zinc/16/48/89/1283164889.db2.gz RGDCBKNAPUBBBL-QMTHXVAHSA-N -2 3 374.401 0.333 20 0 FCADHL C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589997152 1283164893 /nfs/dbraw/zinc/16/48/93/1283164893.db2.gz RGDCBKNAPUBBBL-QMTHXVAHSA-N -2 3 374.401 0.333 20 0 FCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C1CCC1 ZINC001590024965 1283181248 /nfs/dbraw/zinc/18/12/48/1283181248.db2.gz RCYWYHOFDQOSPC-VIFPVBQESA-N -2 3 351.388 0.633 20 0 FCADHL CC1(C(=O)[O-])CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC001590071852 1283201502 /nfs/dbraw/zinc/20/15/02/1283201502.db2.gz ZXEYSYUNPUQCQV-UHFFFAOYSA-N -2 3 366.403 0.205 20 0 FCADHL CC1(C(=O)[O-])CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC001590071852 1283201506 /nfs/dbraw/zinc/20/15/06/1283201506.db2.gz ZXEYSYUNPUQCQV-UHFFFAOYSA-N -2 3 366.403 0.205 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001590071404 1283202304 /nfs/dbraw/zinc/20/23/04/1283202304.db2.gz LLQFQSIXCMGWTP-OAHLLOKOSA-N -2 3 362.321 0.268 20 0 FCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001590071404 1283202312 /nfs/dbraw/zinc/20/23/12/1283202312.db2.gz LLQFQSIXCMGWTP-OAHLLOKOSA-N -2 3 362.321 0.268 20 0 FCADHL CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590088698 1283209647 /nfs/dbraw/zinc/20/96/47/1283209647.db2.gz DVAICLNZVRLOFJ-SNVBAGLBSA-N -2 3 352.376 0.278 20 0 FCADHL CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590088698 1283209654 /nfs/dbraw/zinc/20/96/54/1283209654.db2.gz DVAICLNZVRLOFJ-SNVBAGLBSA-N -2 3 352.376 0.278 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@H](C(=O)[O-])C1 ZINC001590099373 1283211864 /nfs/dbraw/zinc/21/18/64/1283211864.db2.gz HTRBTCNIPKUJFD-NSHDSACASA-N -2 3 366.403 0.526 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@H](C(=O)[O-])C1 ZINC001590099373 1283211870 /nfs/dbraw/zinc/21/18/70/1283211870.db2.gz HTRBTCNIPKUJFD-NSHDSACASA-N -2 3 366.403 0.526 20 0 FCADHL CCO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001604394922 1287631199 /nfs/dbraw/zinc/63/11/99/1287631199.db2.gz GTXCLJDZPCYRFI-CYBMUJFWSA-N -2 3 365.415 0.628 20 0 FCADHL CCO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001604394922 1287631205 /nfs/dbraw/zinc/63/12/05/1287631205.db2.gz GTXCLJDZPCYRFI-CYBMUJFWSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC001590195054 1283299971 /nfs/dbraw/zinc/29/99/71/1283299971.db2.gz VCDPHMCSHONOFK-GIPNMCIBSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC001590195054 1283299980 /nfs/dbraw/zinc/29/99/80/1283299980.db2.gz VCDPHMCSHONOFK-GIPNMCIBSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590226074 1283357556 /nfs/dbraw/zinc/35/75/56/1283357556.db2.gz JZXAFWWVUSIICR-GXSJLCMTSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590226074 1283357566 /nfs/dbraw/zinc/35/75/66/1283357566.db2.gz JZXAFWWVUSIICR-GXSJLCMTSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590270929 1283399626 /nfs/dbraw/zinc/39/96/26/1283399626.db2.gz CJFAUIIYZVNZTC-BREBYQMCSA-N -2 3 358.406 0.596 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1C(=O)[O-] ZINC001590276880 1283404360 /nfs/dbraw/zinc/40/43/60/1283404360.db2.gz RBUSXBOWNIJVJW-CABZTGNLSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1C(=O)[O-] ZINC001590276880 1283404363 /nfs/dbraw/zinc/40/43/63/1283404363.db2.gz RBUSXBOWNIJVJW-CABZTGNLSA-N -2 3 351.388 0.598 20 0 FCADHL C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590322788 1283465814 /nfs/dbraw/zinc/46/58/14/1283465814.db2.gz HIRUWKINQHKWBV-VHSXEESVSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590322788 1283465822 /nfs/dbraw/zinc/46/58/22/1283465822.db2.gz HIRUWKINQHKWBV-VHSXEESVSA-N -2 3 351.388 0.344 20 0 FCADHL CC[C@H](CS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1)OC ZINC001590446644 1283541826 /nfs/dbraw/zinc/54/18/26/1283541826.db2.gz FDENXDDNGVGCQE-SECBINFHSA-N -2 3 357.440 0.985 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)CC(=O)[O-] ZINC001590447215 1283544845 /nfs/dbraw/zinc/54/48/45/1283544845.db2.gz TZKZONMNGPWXGB-JTQLQIEISA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)CC(=O)[O-] ZINC001590447215 1283544853 /nfs/dbraw/zinc/54/48/53/1283544853.db2.gz TZKZONMNGPWXGB-JTQLQIEISA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590489594 1283563734 /nfs/dbraw/zinc/56/37/34/1283563734.db2.gz SFAKZAZSBKQRND-GFCCVEGCSA-N -2 3 357.417 0.946 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)O1 ZINC001590505982 1283575886 /nfs/dbraw/zinc/57/58/86/1283575886.db2.gz RMTJNOGKJONNQT-MWLCHTKSSA-N -2 3 352.376 0.024 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)O1 ZINC001590505982 1283575895 /nfs/dbraw/zinc/57/58/95/1283575895.db2.gz RMTJNOGKJONNQT-MWLCHTKSSA-N -2 3 352.376 0.024 20 0 FCADHL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(=O)[O-] ZINC001590560371 1283609012 /nfs/dbraw/zinc/60/90/12/1283609012.db2.gz NFCGLMHDTAEYKV-ZYHUDNBSSA-N -2 3 369.403 0.068 20 0 FCADHL CCC[C@@H]1CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001590572984 1283614303 /nfs/dbraw/zinc/61/43/03/1283614303.db2.gz WBCYKZWITYUQCC-BXKDBHETSA-N -2 3 366.403 0.526 20 0 FCADHL CCC[C@@H]1CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001590572984 1283614317 /nfs/dbraw/zinc/61/43/17/1283614317.db2.gz WBCYKZWITYUQCC-BXKDBHETSA-N -2 3 366.403 0.526 20 0 FCADHL CCCC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590612752 1283650904 /nfs/dbraw/zinc/65/09/04/1283650904.db2.gz KCPKHBGUQFLWLU-SNVBAGLBSA-N -2 3 357.367 0.928 20 0 FCADHL CCCSC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001590651845 1283703905 /nfs/dbraw/zinc/70/39/05/1283703905.db2.gz MUKFGBHSZCEVHL-NSHDSACASA-N -2 3 371.444 0.741 20 0 FCADHL CCCSC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001590651845 1283703914 /nfs/dbraw/zinc/70/39/14/1283703914.db2.gz MUKFGBHSZCEVHL-NSHDSACASA-N -2 3 371.444 0.741 20 0 FCADHL CCCc1cc(=O)n2[n-]c(NC(=O)c3cc(-c4nnn[n-]4)oc3C)nc2n1 ZINC001590656879 1283706395 /nfs/dbraw/zinc/70/63/95/1283706395.db2.gz FVTWCXNLAPUZJR-UHFFFAOYSA-N -2 3 369.345 0.704 20 0 FCADHL CCOCC1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC001590800778 1283862773 /nfs/dbraw/zinc/86/27/73/1283862773.db2.gz SMKINEUZBYFBJG-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL CCOCC1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC001590800778 1283862785 /nfs/dbraw/zinc/86/27/85/1283862785.db2.gz SMKINEUZBYFBJG-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL CCO[N-]C(=O)CNC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001590819739 1283900402 /nfs/dbraw/zinc/90/04/02/1283900402.db2.gz YWZBPRFSBYOSPV-UHFFFAOYSA-N -2 3 353.314 0.204 20 0 FCADHL CCO[N-]C(=O)CNC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001590819739 1283900410 /nfs/dbraw/zinc/90/04/10/1283900410.db2.gz YWZBPRFSBYOSPV-UHFFFAOYSA-N -2 3 353.314 0.204 20 0 FCADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC001591213272 1284344562 /nfs/dbraw/zinc/34/45/62/1284344562.db2.gz DCDKWXMPLLYLFG-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC001591213272 1284344580 /nfs/dbraw/zinc/34/45/80/1284344580.db2.gz DCDKWXMPLLYLFG-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001591226701 1284367674 /nfs/dbraw/zinc/36/76/74/1284367674.db2.gz IGGBWYSVRHQUDZ-UHFFFAOYSA-N -2 3 357.367 0.947 20 0 FCADHL CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001604657205 1287711880 /nfs/dbraw/zinc/71/18/80/1287711880.db2.gz FBTMVMGVTCHCOB-UHFFFAOYSA-N -2 3 362.357 0.532 20 0 FCADHL CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001604657205 1287711889 /nfs/dbraw/zinc/71/18/89/1287711889.db2.gz FBTMVMGVTCHCOB-UHFFFAOYSA-N -2 3 362.357 0.532 20 0 FCADHL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1sc(C)cc1-c1nnn[n-]1 ZINC001591305973 1284456707 /nfs/dbraw/zinc/45/67/07/1284456707.db2.gz NWJPVZCKUYKJEG-UHFFFAOYSA-N -2 3 369.388 0.547 20 0 FCADHL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1sc(C)cc1-c1nn[n-]n1 ZINC001591305973 1284456709 /nfs/dbraw/zinc/45/67/09/1284456709.db2.gz NWJPVZCKUYKJEG-UHFFFAOYSA-N -2 3 369.388 0.547 20 0 FCADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccn1)[C@@H]1CCOC1 ZINC001591333299 1284474546 /nfs/dbraw/zinc/47/45/46/1284474546.db2.gz ARTGROQPBAYKNF-MNOVXSKESA-N -2 3 354.392 0.055 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001591370921 1284508729 /nfs/dbraw/zinc/50/87/29/1284508729.db2.gz IUJXEIDSYRLEDW-TWGQIWQCSA-N -2 3 367.387 0.273 20 0 FCADHL COCC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001591370921 1284508734 /nfs/dbraw/zinc/50/87/34/1284508734.db2.gz IUJXEIDSYRLEDW-TWGQIWQCSA-N -2 3 367.387 0.273 20 0 FCADHL COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001591423028 1284573968 /nfs/dbraw/zinc/57/39/68/1284573968.db2.gz WRGAFMMYSVRUFR-UHFFFAOYSA-N -2 3 369.403 0.287 20 0 FCADHL COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001591423028 1284573976 /nfs/dbraw/zinc/57/39/76/1284573976.db2.gz WRGAFMMYSVRUFR-UHFFFAOYSA-N -2 3 369.403 0.287 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC001591450710 1284612002 /nfs/dbraw/zinc/61/20/02/1284612002.db2.gz RYASQPVVDJZCKS-UHFFFAOYSA-N -2 3 367.366 0.650 20 0 FCADHL COCn1nc(C)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1C ZINC001591463707 1284632218 /nfs/dbraw/zinc/63/22/18/1284632218.db2.gz CKTAKPASDYVOTF-UHFFFAOYSA-N -2 3 370.420 0.541 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001591507138 1284692459 /nfs/dbraw/zinc/69/24/59/1284692459.db2.gz SZNSXDANINCRPZ-SNVBAGLBSA-N -2 3 367.387 0.361 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001591507138 1284692466 /nfs/dbraw/zinc/69/24/66/1284692466.db2.gz SZNSXDANINCRPZ-SNVBAGLBSA-N -2 3 367.387 0.361 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001591633015 1284773999 /nfs/dbraw/zinc/77/39/99/1284773999.db2.gz WJHRYKKCQYFJDO-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001591633015 1284774009 /nfs/dbraw/zinc/77/40/09/1284774009.db2.gz WJHRYKKCQYFJDO-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL COc1nc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cc(=O)[n-]1 ZINC001591662517 1284790803 /nfs/dbraw/zinc/79/08/03/1284790803.db2.gz FKRPRVIICMFZFT-UHFFFAOYSA-N -2 3 367.325 0.981 20 0 FCADHL COc1nc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cc(=O)[n-]1 ZINC001591662517 1284790812 /nfs/dbraw/zinc/79/08/12/1284790812.db2.gz FKRPRVIICMFZFT-UHFFFAOYSA-N -2 3 367.325 0.981 20 0 FCADHL CS[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001591686734 1284828495 /nfs/dbraw/zinc/82/84/95/1284828495.db2.gz IVELCXFCUHBJGI-SSDOTTSWSA-N -2 3 359.408 0.703 20 0 FCADHL CS[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001591686734 1284828503 /nfs/dbraw/zinc/82/85/03/1284828503.db2.gz IVELCXFCUHBJGI-SSDOTTSWSA-N -2 3 359.408 0.703 20 0 FCADHL CS[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001591687065 1284829752 /nfs/dbraw/zinc/82/97/52/1284829752.db2.gz VQGUPWCTVLHHSB-ZETCQYMHSA-N -2 3 359.408 0.703 20 0 FCADHL CS[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001591687065 1284829758 /nfs/dbraw/zinc/82/97/58/1284829758.db2.gz VQGUPWCTVLHHSB-ZETCQYMHSA-N -2 3 359.408 0.703 20 0 FCADHL CSCC[C@H](NS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001591701337 1284841254 /nfs/dbraw/zinc/84/12/54/1284841254.db2.gz MWUOCNNLWSHLBQ-JTQLQIEISA-N -2 3 372.432 0.055 20 0 FCADHL CSCC[C@H](NS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001591701337 1284841250 /nfs/dbraw/zinc/84/12/50/1284841250.db2.gz MWUOCNNLWSHLBQ-JTQLQIEISA-N -2 3 372.432 0.055 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@@H]1C(=O)[O-] ZINC001591733743 1284863750 /nfs/dbraw/zinc/86/37/50/1284863750.db2.gz LIJSRDWKRDKRBQ-PELKAZGASA-N -2 3 369.378 0.880 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cccc1-c1nnn[n-]1 ZINC001591809442 1284922371 /nfs/dbraw/zinc/92/23/71/1284922371.db2.gz CGOMVAKOVWTODY-JTQLQIEISA-N -2 3 351.388 0.271 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cccc1-c1nn[n-]n1 ZINC001591809442 1284922381 /nfs/dbraw/zinc/92/23/81/1284922381.db2.gz CGOMVAKOVWTODY-JTQLQIEISA-N -2 3 351.388 0.271 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC001591824262 1284930623 /nfs/dbraw/zinc/93/06/23/1284930623.db2.gz PAJWQLPHOBUFED-ONGXEEELSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC001591824262 1284930631 /nfs/dbraw/zinc/93/06/31/1284930631.db2.gz PAJWQLPHOBUFED-ONGXEEELSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1C(N)=O ZINC001591828921 1284932644 /nfs/dbraw/zinc/93/26/44/1284932644.db2.gz ZHUAFOJJNWMPAT-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1C(N)=O ZINC001591828921 1284932654 /nfs/dbraw/zinc/93/26/54/1284932654.db2.gz ZHUAFOJJNWMPAT-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001591872688 1284958868 /nfs/dbraw/zinc/95/88/68/1284958868.db2.gz KJSDNSJQXMZBLP-NSHDSACASA-N -2 3 367.387 0.039 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001591872688 1284958875 /nfs/dbraw/zinc/95/88/75/1284958875.db2.gz KJSDNSJQXMZBLP-NSHDSACASA-N -2 3 367.387 0.039 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001591875779 1284964538 /nfs/dbraw/zinc/96/45/38/1284964538.db2.gz MQWRIJSBZBOFDU-UHFFFAOYSA-N -2 3 363.359 0.294 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001591875779 1284964549 /nfs/dbraw/zinc/96/45/49/1284964549.db2.gz MQWRIJSBZBOFDU-UHFFFAOYSA-N -2 3 363.359 0.294 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC001591930167 1285015818 /nfs/dbraw/zinc/01/58/18/1285015818.db2.gz XUCSEMCHOGGKGG-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001591930167 1285015821 /nfs/dbraw/zinc/01/58/21/1285015821.db2.gz XUCSEMCHOGGKGG-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)ncc1-c1nnn[n-]1 ZINC001591933669 1285018004 /nfs/dbraw/zinc/01/80/04/1285018004.db2.gz XYOBWLBARLZPCA-UHFFFAOYSA-N -2 3 364.329 0.504 20 0 FCADHL Cc1cc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)ncc1-c1nn[n-]n1 ZINC001591933669 1285018009 /nfs/dbraw/zinc/01/80/09/1285018009.db2.gz XYOBWLBARLZPCA-UHFFFAOYSA-N -2 3 364.329 0.504 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592065197 1285104733 /nfs/dbraw/zinc/10/47/33/1285104733.db2.gz ITCQWOOOQOEPSK-GFCCVEGCSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592065197 1285104737 /nfs/dbraw/zinc/10/47/37/1285104737.db2.gz ITCQWOOOQOEPSK-GFCCVEGCSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)ccc1-c1nnn[n-]1 ZINC001592065784 1285105023 /nfs/dbraw/zinc/10/50/23/1285105023.db2.gz LRXADTTUILTPCH-GFCCVEGCSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)ccc1-c1nn[n-]n1 ZINC001592065784 1285105026 /nfs/dbraw/zinc/10/50/26/1285105026.db2.gz LRXADTTUILTPCH-GFCCVEGCSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592065121 1285105076 /nfs/dbraw/zinc/10/50/76/1285105076.db2.gz IDCLTJBCRMVHAE-SNVBAGLBSA-N -2 3 355.401 0.323 20 0 FCADHL Cc1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592065121 1285105080 /nfs/dbraw/zinc/10/50/80/1285105080.db2.gz IDCLTJBCRMVHAE-SNVBAGLBSA-N -2 3 355.401 0.323 20 0 FCADHL Cc1cc(S(=O)(=O)NCC[C@H](C)CC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592065165 1285105196 /nfs/dbraw/zinc/10/51/96/1285105196.db2.gz GGGGDTGYPFHAIS-VIFPVBQESA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(S(=O)(=O)NCC[C@H](C)CC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592065165 1285105199 /nfs/dbraw/zinc/10/51/99/1285105199.db2.gz GGGGDTGYPFHAIS-VIFPVBQESA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592066197 1285108499 /nfs/dbraw/zinc/10/84/99/1285108499.db2.gz UMUJZDFWKJTNAK-BMIGLBTASA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592066197 1285108502 /nfs/dbraw/zinc/10/85/02/1285108502.db2.gz UMUJZDFWKJTNAK-BMIGLBTASA-N -2 3 363.399 0.803 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001592109137 1285142731 /nfs/dbraw/zinc/14/27/31/1285142731.db2.gz BMEMMWHGBFDNGH-LLVKDONJSA-N -2 3 367.387 0.039 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001592109137 1285142736 /nfs/dbraw/zinc/14/27/36/1285142736.db2.gz BMEMMWHGBFDNGH-LLVKDONJSA-N -2 3 367.387 0.039 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1C ZINC001592128388 1285156162 /nfs/dbraw/zinc/15/61/62/1285156162.db2.gz SDOYGDCOVALPDP-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1C ZINC001592128388 1285156168 /nfs/dbraw/zinc/15/61/68/1285156168.db2.gz SDOYGDCOVALPDP-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)c(-c2nnn[n-]2)c1 ZINC001592189334 1285172572 /nfs/dbraw/zinc/17/25/72/1285172572.db2.gz ALEDESFOUIRIHM-WPRPVWTQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)c(-c2nn[n-]n2)c1 ZINC001592189334 1285172576 /nfs/dbraw/zinc/17/25/76/1285172576.db2.gz ALEDESFOUIRIHM-WPRPVWTQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001592215054 1285186105 /nfs/dbraw/zinc/18/61/05/1285186105.db2.gz YWXPNHVNQSKRNC-MWLCHTKSSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001592215054 1285186106 /nfs/dbraw/zinc/18/61/06/1285186106.db2.gz YWXPNHVNQSKRNC-MWLCHTKSSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC001592220904 1285188188 /nfs/dbraw/zinc/18/81/88/1285188188.db2.gz WOOFMTDKYUHPOS-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC001592220904 1285188195 /nfs/dbraw/zinc/18/81/95/1285188195.db2.gz WOOFMTDKYUHPOS-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1nc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC001592360168 1285276022 /nfs/dbraw/zinc/27/60/22/1285276022.db2.gz YSCKQGQDPCRTNL-UHFFFAOYSA-N -2 3 364.412 0.679 20 0 FCADHL Cc1nc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC001592360168 1285276033 /nfs/dbraw/zinc/27/60/33/1285276033.db2.gz YSCKQGQDPCRTNL-UHFFFAOYSA-N -2 3 364.412 0.679 20 0 FCADHL Cc1noc([C@H]([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)n1 ZINC001592455382 1285393985 /nfs/dbraw/zinc/39/39/85/1285393985.db2.gz BTPXDGNJWCTYOC-LLVKDONJSA-N -2 3 364.391 0.629 20 0 FCADHL Cc1nsc(NCCCNC(=O)c2ncccc2[O-])c1-c1nnn[n-]1 ZINC001592492827 1285423882 /nfs/dbraw/zinc/42/38/82/1285423882.db2.gz NFWDBTNILGYAST-UHFFFAOYSA-N -2 3 360.403 0.964 20 0 FCADHL Cc1nsc(NCCCNC(=O)c2ncccc2[O-])c1-c1nn[n-]n1 ZINC001592492827 1285423886 /nfs/dbraw/zinc/42/38/86/1285423886.db2.gz NFWDBTNILGYAST-UHFFFAOYSA-N -2 3 360.403 0.964 20 0 FCADHL Cn1[n-]c(-c2nnc(N3Cc4ccc(-c5nnn[n-]5)cc4C3)n2C)cc1=O ZINC001592592187 1285526043 /nfs/dbraw/zinc/52/60/43/1285526043.db2.gz URYOYFJSDGLGKC-UHFFFAOYSA-N -2 3 364.373 0.622 20 0 FCADHL Cn1[n-]c(-c2nnc(N3Cc4ccc(-c5nn[n-]n5)cc4C3)n2C)cc1=O ZINC001592592187 1285526049 /nfs/dbraw/zinc/52/60/49/1285526049.db2.gz URYOYFJSDGLGKC-UHFFFAOYSA-N -2 3 364.373 0.622 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001592606814 1285547909 /nfs/dbraw/zinc/54/79/09/1285547909.db2.gz LFODQIZHQPHXQH-UHFFFAOYSA-N -2 3 373.398 0.137 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592606814 1285547924 /nfs/dbraw/zinc/54/79/24/1285547924.db2.gz LFODQIZHQPHXQH-UHFFFAOYSA-N -2 3 373.398 0.137 20 0 FCADHL O=C(C=Cc1cccc(F)c1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592794315 1285716425 /nfs/dbraw/zinc/71/64/25/1285716425.db2.gz NDBREKADMWAFTI-PLNGDYQASA-N -2 3 374.357 0.919 20 0 FCADHL O=C(C=Cc1cccc(F)c1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592794315 1285716431 /nfs/dbraw/zinc/71/64/31/1285716431.db2.gz NDBREKADMWAFTI-PLNGDYQASA-N -2 3 374.357 0.919 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592821406 1285735680 /nfs/dbraw/zinc/73/56/80/1285735680.db2.gz MHSGJYWSIRRPFX-SNVBAGLBSA-N -2 3 351.388 0.631 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592821406 1285735688 /nfs/dbraw/zinc/73/56/88/1285735688.db2.gz MHSGJYWSIRRPFX-SNVBAGLBSA-N -2 3 351.388 0.631 20 0 FCADHL O=C(CCC(F)F)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001592829341 1285743414 /nfs/dbraw/zinc/74/34/14/1285743414.db2.gz TWXFKFYRIFHXLJ-UHFFFAOYSA-N -2 3 363.321 0.997 20 0 FCADHL O=C(CCC(F)F)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001592829341 1285743416 /nfs/dbraw/zinc/74/34/16/1285743416.db2.gz TWXFKFYRIFHXLJ-UHFFFAOYSA-N -2 3 363.321 0.997 20 0 FCADHL O=C(CCCC(F)(F)F)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592832455 1285744853 /nfs/dbraw/zinc/74/48/53/1285744853.db2.gz RSYLUNITHJKGCF-UHFFFAOYSA-N -2 3 364.309 0.799 20 0 FCADHL O=C(CCCC(F)(F)F)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592832455 1285744860 /nfs/dbraw/zinc/74/48/60/1285744860.db2.gz RSYLUNITHJKGCF-UHFFFAOYSA-N -2 3 364.309 0.799 20 0 FCADHL O=C(CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[N-]OC1CCCC1 ZINC001592875296 1285784020 /nfs/dbraw/zinc/78/40/20/1285784020.db2.gz IMXCIHPLIHBMAB-UHFFFAOYSA-N -2 3 366.403 0.135 20 0 FCADHL O=C(CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[N-]OC1CCCC1 ZINC001592875296 1285784022 /nfs/dbraw/zinc/78/40/22/1285784022.db2.gz IMXCIHPLIHBMAB-UHFFFAOYSA-N -2 3 366.403 0.135 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001593169334 1286025711 /nfs/dbraw/zinc/02/57/11/1286025711.db2.gz PXIQPXSDVMMYCY-SWLSCSKDSA-N -2 3 358.402 0.920 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001593223648 1286046048 /nfs/dbraw/zinc/04/60/48/1286046048.db2.gz RSWIKAMQNRVJFW-BDAKNGLRSA-N -2 3 362.321 0.314 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001593223648 1286046050 /nfs/dbraw/zinc/04/60/50/1286046050.db2.gz RSWIKAMQNRVJFW-BDAKNGLRSA-N -2 3 362.321 0.314 20 0 FCADHL O=C(Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1)c1n[nH]c(=O)[n-]1 ZINC001593235018 1286049228 /nfs/dbraw/zinc/04/92/28/1286049228.db2.gz FJJPDFZXVKDKBI-UHFFFAOYSA-N -2 3 356.224 0.841 20 0 FCADHL O=C(Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1)c1n[nH]c(=O)[n-]1 ZINC001593235018 1286049233 /nfs/dbraw/zinc/04/92/33/1286049233.db2.gz FJJPDFZXVKDKBI-UHFFFAOYSA-N -2 3 356.224 0.841 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1(F)F ZINC001593275937 1286059535 /nfs/dbraw/zinc/05/95/35/1286059535.db2.gz GMOQZYIVFACBMM-SNVBAGLBSA-N -2 3 373.341 0.597 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1(F)F ZINC001593275937 1286059536 /nfs/dbraw/zinc/05/95/36/1286059536.db2.gz GMOQZYIVFACBMM-SNVBAGLBSA-N -2 3 373.341 0.597 20 0 FCADHL O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CO1 ZINC001593278183 1286060537 /nfs/dbraw/zinc/06/05/37/1286060537.db2.gz UMRAUKWMSXIFRZ-RRFJBIMHSA-N -2 3 371.397 0.720 20 0 FCADHL O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CO1 ZINC001593278183 1286060543 /nfs/dbraw/zinc/06/05/43/1286060543.db2.gz UMRAUKWMSXIFRZ-RRFJBIMHSA-N -2 3 371.397 0.720 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001593279230 1286061768 /nfs/dbraw/zinc/06/17/68/1286061768.db2.gz YTSFUIUWODMGRS-GFCCVEGCSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001593279230 1286061772 /nfs/dbraw/zinc/06/17/72/1286061772.db2.gz YTSFUIUWODMGRS-GFCCVEGCSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001593279598 1286063389 /nfs/dbraw/zinc/06/33/89/1286063389.db2.gz SNVCHYDNFKKLKF-CYBMUJFWSA-N -2 3 374.382 0.236 20 0 FCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001593279598 1286063390 /nfs/dbraw/zinc/06/33/90/1286063390.db2.gz SNVCHYDNFKKLKF-CYBMUJFWSA-N -2 3 374.382 0.236 20 0 FCADHL O=C([O-])c1cccc2c1N(S(=O)(=O)c1cncc(-c3nnn[n-]3)c1)CC2 ZINC001593283179 1286064365 /nfs/dbraw/zinc/06/43/65/1286064365.db2.gz OCFMBWBBWNELQG-UHFFFAOYSA-N -2 3 372.366 0.711 20 0 FCADHL O=C([O-])c1cccc2c1N(S(=O)(=O)c1cncc(-c3nn[n-]n3)c1)CC2 ZINC001593283179 1286064369 /nfs/dbraw/zinc/06/43/69/1286064369.db2.gz OCFMBWBBWNELQG-UHFFFAOYSA-N -2 3 372.366 0.711 20 0 FCADHL O=C1NCCCN1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001593407822 1286130637 /nfs/dbraw/zinc/13/06/37/1286130637.db2.gz POTJBOSVGAYSHZ-UHFFFAOYSA-N -2 3 357.783 0.129 20 0 FCADHL O=C1NCCCN1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001593407822 1286130641 /nfs/dbraw/zinc/13/06/41/1286130641.db2.gz POTJBOSVGAYSHZ-UHFFFAOYSA-N -2 3 357.783 0.129 20 0 FCADHL O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593414672 1286137568 /nfs/dbraw/zinc/13/75/68/1286137568.db2.gz UEUIZABKLLAUST-UHFFFAOYSA-N -2 3 356.367 0.716 20 0 FCADHL O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593414672 1286137571 /nfs/dbraw/zinc/13/75/71/1286137571.db2.gz UEUIZABKLLAUST-UHFFFAOYSA-N -2 3 356.367 0.716 20 0 FCADHL O=c1[n-]c(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n[nH]1 ZINC001593420253 1286142761 /nfs/dbraw/zinc/14/27/61/1286142761.db2.gz DAQGUMPBTXHOOU-UHFFFAOYSA-N -2 3 353.389 0.256 20 0 FCADHL O=c1[n-]c(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC001593420253 1286142763 /nfs/dbraw/zinc/14/27/63/1286142763.db2.gz DAQGUMPBTXHOOU-UHFFFAOYSA-N -2 3 353.389 0.256 20 0 FCADHL O=S(=O)(Cc1ccc(F)cc1-c1nn[n-]n1)[N-]CC(F)(F)CO ZINC001593424102 1286146849 /nfs/dbraw/zinc/14/68/49/1286146849.db2.gz AFSZQALYFOVYNB-UHFFFAOYSA-N -2 3 351.310 0.053 20 0 FCADHL O=S(=O)([N-][C@@H](CCO)C(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001593430451 1286152658 /nfs/dbraw/zinc/15/26/58/1286152658.db2.gz SLKZPDAMKYQQBW-QMMMGPOBSA-N -2 3 369.300 0.597 20 0 FCADHL O=S(=O)([N-][C@@H]1CC12CC(O)C2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593433308 1286154705 /nfs/dbraw/zinc/15/47/05/1286154705.db2.gz CDWJFYISOBCGHQ-OILJVLCYSA-N -2 3 357.342 0.337 20 0 FCADHL Cc1c(C(=O)[O-])cc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1C ZINC001599988321 1286419037 /nfs/dbraw/zinc/41/90/37/1286419037.db2.gz DJBYTZWMXJPZNT-LLVKDONJSA-N -2 3 374.401 0.605 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)CCc3ocnc3C(=O)[O-])C2)n1 ZINC001600064244 1286435126 /nfs/dbraw/zinc/43/51/26/1286435126.db2.gz HHJBMPQHNFSEIO-SNVBAGLBSA-N -2 3 361.358 0.505 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ncccc2-c2nnn[n-]2)cn1C ZINC001609302871 1289076066 /nfs/dbraw/zinc/07/60/66/1289076066.db2.gz NKQQMGYMDUTAIP-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)cn1C ZINC001609302871 1289076071 /nfs/dbraw/zinc/07/60/71/1289076071.db2.gz NKQQMGYMDUTAIP-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)oc1C(=O)[O-] ZINC001600300476 1286472390 /nfs/dbraw/zinc/47/23/90/1286472390.db2.gz SDXMETFDOOUDQZ-UHFFFAOYSA-N -2 3 374.396 0.563 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2N2CCOCC2)c1C(=O)[O-] ZINC001600672462 1286522022 /nfs/dbraw/zinc/52/20/22/1286522022.db2.gz CHVXXEMWIGIJSK-NEPJUHHUSA-N -2 3 372.447 0.338 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c1C(=O)[O-] ZINC001600673146 1286523976 /nfs/dbraw/zinc/52/39/76/1286523976.db2.gz OPCRNVQLNZLPMF-MRVPVSSYSA-N -3 3 359.385 0.972 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](CO)CC2CCOCC2)c1C(=O)[O-] ZINC001600673105 1286524018 /nfs/dbraw/zinc/52/40/18/1286524018.db2.gz NJHIXHYLAMZUJQ-LLVKDONJSA-N -2 3 361.420 0.120 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c1C(=O)[O-] ZINC001600673147 1286524023 /nfs/dbraw/zinc/52/40/23/1286524023.db2.gz OPCRNVQLNZLPMF-QMMMGPOBSA-N -3 3 359.385 0.972 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1C(=O)[O-] ZINC001600673442 1286524985 /nfs/dbraw/zinc/52/49/85/1286524985.db2.gz QMIUWWNFUDKHAG-JTQLQIEISA-N -3 3 371.346 0.530 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2cnc(C(F)(F)F)nc2)c1C(=O)[O-] ZINC001600673561 1286525072 /nfs/dbraw/zinc/52/50/72/1286525072.db2.gz JSTUSFPBFBIAIR-UHFFFAOYSA-N -2 3 365.293 0.704 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCCN2CC(F)F)c1C(=O)[O-] ZINC001600674264 1286526053 /nfs/dbraw/zinc/52/60/53/1286526053.db2.gz RMDOHZCQPNGWED-QMMMGPOBSA-N -2 3 352.363 0.424 20 0 FCADHL Cc1nc(C)c(CC(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)c(=O)[n-]1 ZINC001600691993 1286527382 /nfs/dbraw/zinc/52/73/82/1286527382.db2.gz ZNSOQWIVFSQXGD-GFCCVEGCSA-N -2 3 351.359 0.350 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001600810067 1286549982 /nfs/dbraw/zinc/54/99/82/1286549982.db2.gz TVUVFKGKURARHN-CYBMUJFWSA-N -2 3 368.367 0.939 20 0 FCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001600891528 1286562452 /nfs/dbraw/zinc/56/24/52/1286562452.db2.gz VYXWCUDLNVRQHX-KRWDZBQOSA-N -2 3 360.370 0.772 20 0 FCADHL Cn1cc([C@@]2(C[N-]S(=O)(=O)c3occc3C(=O)[O-])CCCO2)cn1 ZINC001600943642 1286576698 /nfs/dbraw/zinc/57/66/98/1286576698.db2.gz CEKQLDGZOIWDSQ-AWEZNQCLSA-N -2 3 355.372 0.696 20 0 FCADHL Cn1cnnc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001600994568 1286592285 /nfs/dbraw/zinc/59/22/85/1286592285.db2.gz LEABVEUHPABLSU-SNVBAGLBSA-N -2 3 360.779 0.179 20 0 FCADHL COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609316855 1289086574 /nfs/dbraw/zinc/08/65/74/1289086574.db2.gz QDRFXBPQBNEVNV-MNOVXSKESA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609316855 1289086580 /nfs/dbraw/zinc/08/65/80/1289086580.db2.gz QDRFXBPQBNEVNV-MNOVXSKESA-N -2 3 367.431 0.731 20 0 FCADHL Cn1ncc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c1Br ZINC001601028744 1286607481 /nfs/dbraw/zinc/60/74/81/1286607481.db2.gz ISQIBFCFBABQHF-UHFFFAOYSA-N -2 3 352.210 0.858 20 0 FCADHL Cn1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001601040348 1286617791 /nfs/dbraw/zinc/61/77/91/1286617791.db2.gz BEUCLFVNZADOEI-UHFFFAOYSA-N -2 3 365.293 0.406 20 0 FCADHL O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001601322662 1286727469 /nfs/dbraw/zinc/72/74/69/1286727469.db2.gz XZRFDFBHJOODOY-GFCCVEGCSA-N -2 3 358.354 0.668 20 0 FCADHL O=C([O-])c1ccccc1CCNC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC001601513605 1286774473 /nfs/dbraw/zinc/77/44/73/1286774473.db2.gz IRJZYKQUJBFGMI-UHFFFAOYSA-N -2 3 358.358 0.759 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCNC(=O)c1ccc(F)cc1 ZINC001601511697 1286775195 /nfs/dbraw/zinc/77/51/95/1286775195.db2.gz XDNCRJHHVVWTJH-UHFFFAOYSA-N -2 3 373.387 0.689 20 0 FCADHL O=C([O-])[C@@H](CC1OCCO1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001601646940 1286800670 /nfs/dbraw/zinc/80/06/70/1286800670.db2.gz ZFEUDDFPVXQOIJ-MRVPVSSYSA-N -2 3 371.198 0.883 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCOC1 ZINC001609338495 1289106802 /nfs/dbraw/zinc/10/68/02/1289106802.db2.gz FAEOSRQRYLSCIK-VIFPVBQESA-N -2 3 367.387 0.107 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCOC1 ZINC001609338495 1289106806 /nfs/dbraw/zinc/10/68/06/1289106806.db2.gz FAEOSRQRYLSCIK-VIFPVBQESA-N -2 3 367.387 0.107 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)c1cccn1C ZINC001609338792 1289108781 /nfs/dbraw/zinc/10/87/81/1289108781.db2.gz RUHPZSUUDZZTOZ-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)c1cccn1C ZINC001609338792 1289108784 /nfs/dbraw/zinc/10/87/84/1289108784.db2.gz RUHPZSUUDZZTOZ-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL COc1cc([N-]S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)nn1C ZINC001609346834 1289113023 /nfs/dbraw/zinc/11/30/23/1289113023.db2.gz RJAYXCMIAYMWLN-UHFFFAOYSA-N -2 3 350.364 0.113 20 0 FCADHL COc1cc([N-]S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)nn1C ZINC001609346834 1289113027 /nfs/dbraw/zinc/11/30/27/1289113027.db2.gz RJAYXCMIAYMWLN-UHFFFAOYSA-N -2 3 350.364 0.113 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N(CC3CC3)C2)c1F ZINC001602228411 1286972721 /nfs/dbraw/zinc/97/27/21/1286972721.db2.gz OBWKUPRKDJPQON-SECBINFHSA-N -2 3 374.365 0.952 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H](C1CC1)C1(CO)CCOCC1 ZINC001602489115 1287011310 /nfs/dbraw/zinc/01/13/10/1287011310.db2.gz SCCZZZHUBBTCSR-LBPRGKRZSA-N -2 3 359.400 0.824 20 0 FCADHL COc1ccc(COC(=O)c2cc(=O)[n-]c(OC)n2)cc1-c1nnn[n-]1 ZINC001609365267 1289118909 /nfs/dbraw/zinc/11/89/09/1289118909.db2.gz NXEMOKRMNLWWLC-UHFFFAOYSA-N -2 3 358.314 0.737 20 0 FCADHL COc1ccc(COC(=O)c2cc(=O)[n-]c(OC)n2)cc1-c1nn[n-]n1 ZINC001609365267 1289118911 /nfs/dbraw/zinc/11/89/11/1289118911.db2.gz NXEMOKRMNLWWLC-UHFFFAOYSA-N -2 3 358.314 0.737 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001602506601 1287017125 /nfs/dbraw/zinc/01/71/25/1287017125.db2.gz GNPFCQATDIVKOE-JTQLQIEISA-N -2 3 371.419 0.066 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H](O)Cc1cccc(Cl)c1 ZINC001602506987 1287018164 /nfs/dbraw/zinc/01/81/64/1287018164.db2.gz WIBDJZBCUKFOSV-SNVBAGLBSA-N -2 3 359.791 0.643 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H](c1ccncc1)C1(CO)CCC1 ZINC001602508110 1287019847 /nfs/dbraw/zinc/01/98/47/1287019847.db2.gz ZNPWVADFTPIGCW-LBPRGKRZSA-N -2 3 366.399 0.685 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H](O)COc2cccc(F)c2)c1 ZINC001602557223 1287025876 /nfs/dbraw/zinc/02/58/76/1287025876.db2.gz SVYVVIZIYRYBRK-LLVKDONJSA-N -2 3 359.331 0.835 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCN2C[C@H]3CCCCN3C2=O)c1 ZINC001602558748 1287025914 /nfs/dbraw/zinc/02/59/14/1287025914.db2.gz HFIQJCNEJVVCAF-LLVKDONJSA-N -2 3 357.388 0.546 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H](Cc1ccccn1)C(=O)[O-] ZINC001602583114 1287030164 /nfs/dbraw/zinc/03/01/64/1287030164.db2.gz ONUUDAIIRGHJOF-MRVPVSSYSA-N -3 3 371.396 0.458 20 0 FCADHL CC(=O)Nc1cccnc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001602956527 1287169883 /nfs/dbraw/zinc/16/98/83/1287169883.db2.gz WRUQDIFFWOXIBK-UHFFFAOYSA-N -2 3 360.359 0.416 20 0 FCADHL CC(=O)Nc1cccnc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001602956527 1287169887 /nfs/dbraw/zinc/16/98/87/1287169887.db2.gz WRUQDIFFWOXIBK-UHFFFAOYSA-N -2 3 360.359 0.416 20 0 FCADHL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n(C)c1 ZINC001602962333 1287170264 /nfs/dbraw/zinc/17/02/64/1287170264.db2.gz PMWINUUVLLLFEF-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n(C)c1 ZINC001602962333 1287170265 /nfs/dbraw/zinc/17/02/65/1287170265.db2.gz PMWINUUVLLLFEF-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC001609389267 1289133640 /nfs/dbraw/zinc/13/36/40/1289133640.db2.gz YLMMSEXOURXAKC-PELKAZGASA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC001609389267 1289133644 /nfs/dbraw/zinc/13/36/44/1289133644.db2.gz YLMMSEXOURXAKC-PELKAZGASA-N -2 3 351.388 0.659 20 0 FCADHL COC1(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CCC1 ZINC001605015501 1287837150 /nfs/dbraw/zinc/83/71/50/1287837150.db2.gz BFZWZTNYDJNPNY-UHFFFAOYSA-N -2 3 352.376 0.026 20 0 FCADHL COC1(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CCC1 ZINC001605015501 1287837152 /nfs/dbraw/zinc/83/71/52/1287837152.db2.gz BFZWZTNYDJNPNY-UHFFFAOYSA-N -2 3 352.376 0.026 20 0 FCADHL CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001605030561 1287841153 /nfs/dbraw/zinc/84/11/53/1287841153.db2.gz NBSLMSBSJKMVPB-STQMWFEESA-N -2 3 365.415 0.877 20 0 FCADHL CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001605030561 1287841155 /nfs/dbraw/zinc/84/11/55/1287841155.db2.gz NBSLMSBSJKMVPB-STQMWFEESA-N -2 3 365.415 0.877 20 0 FCADHL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609396224 1289137318 /nfs/dbraw/zinc/13/73/18/1289137318.db2.gz HRGLNXLROXUUHT-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609396224 1289137320 /nfs/dbraw/zinc/13/73/20/1289137320.db2.gz HRGLNXLROXUUHT-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc(-c2nnn[n-]2)c1 ZINC001609405714 1289139462 /nfs/dbraw/zinc/13/94/62/1289139462.db2.gz VZBTUUDSRYXLIX-CMPLNLGQSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc(-c2nn[n-]n2)c1 ZINC001609405714 1289139465 /nfs/dbraw/zinc/13/94/65/1289139465.db2.gz VZBTUUDSRYXLIX-CMPLNLGQSA-N -2 3 372.385 0.683 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001605442982 1287964304 /nfs/dbraw/zinc/96/43/04/1287964304.db2.gz ZFMMGLDQQGHJNP-XVKPBYJWSA-N -2 3 355.351 0.632 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1[O-] ZINC001605566810 1288007401 /nfs/dbraw/zinc/00/74/01/1288007401.db2.gz GJDKBKWYAPKOJC-YUMQZZPRSA-N -2 3 372.393 0.321 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1[O-] ZINC001605566810 1288007403 /nfs/dbraw/zinc/00/74/03/1288007403.db2.gz GJDKBKWYAPKOJC-YUMQZZPRSA-N -2 3 372.393 0.321 20 0 FCADHL CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001605735315 1288067975 /nfs/dbraw/zinc/06/79/75/1288067975.db2.gz FGDIDXFBFKSFLK-FQOARCPFSA-N -2 3 363.461 0.774 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001605752241 1288072521 /nfs/dbraw/zinc/07/25/21/1288072521.db2.gz UJMKSQNDUUMKFP-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001605752241 1288072525 /nfs/dbraw/zinc/07/25/25/1288072525.db2.gz UJMKSQNDUUMKFP-SNVBAGLBSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001605795805 1288087770 /nfs/dbraw/zinc/08/77/70/1288087770.db2.gz LMSIIAIMEQZIIA-SKDRFNHKSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001605795805 1288087777 /nfs/dbraw/zinc/08/77/77/1288087777.db2.gz LMSIIAIMEQZIIA-SKDRFNHKSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC001605895397 1288100723 /nfs/dbraw/zinc/10/07/23/1288100723.db2.gz HQAVECYHNWNORS-KCJUWKMLSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC001605895397 1288100726 /nfs/dbraw/zinc/10/07/26/1288100726.db2.gz HQAVECYHNWNORS-KCJUWKMLSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1-c1nnn[n-]1 ZINC001605917993 1288104318 /nfs/dbraw/zinc/10/43/18/1288104318.db2.gz AVUSAMAEXJKODC-SNVBAGLBSA-N -2 3 360.374 0.587 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1-c1nn[n-]n1 ZINC001605917993 1288104322 /nfs/dbraw/zinc/10/43/22/1288104322.db2.gz AVUSAMAEXJKODC-SNVBAGLBSA-N -2 3 360.374 0.587 20 0 FCADHL Cc1nsc(NC[C@H](C)NC(=O)c2ncccc2[O-])c1-c1nnn[n-]1 ZINC001606162259 1288193630 /nfs/dbraw/zinc/19/36/30/1288193630.db2.gz FHMZOWMYMLSEBK-ZETCQYMHSA-N -2 3 360.403 0.963 20 0 FCADHL Cc1nsc(NC[C@H](C)NC(=O)c2ncccc2[O-])c1-c1nn[n-]n1 ZINC001606162259 1288193632 /nfs/dbraw/zinc/19/36/32/1288193632.db2.gz FHMZOWMYMLSEBK-ZETCQYMHSA-N -2 3 360.403 0.963 20 0 FCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC001606274917 1288247307 /nfs/dbraw/zinc/24/73/07/1288247307.db2.gz GBRRDYKLKQNHLW-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC001606274917 1288247313 /nfs/dbraw/zinc/24/73/13/1288247313.db2.gz GBRRDYKLKQNHLW-UHFFFAOYSA-N -2 3 373.398 0.596 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c(C)o1 ZINC001606303524 1288259702 /nfs/dbraw/zinc/25/97/02/1288259702.db2.gz HWXPEMPQBTUXBY-IQIPOGNMSA-N -2 3 356.400 0.725 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)ccc1F ZINC001606303478 1288259842 /nfs/dbraw/zinc/25/98/42/1288259842.db2.gz FKOWKDRHSWMEPH-KLBPJQLPSA-N -2 3 356.375 0.573 20 0 FCADHL COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606334686 1288263747 /nfs/dbraw/zinc/26/37/47/1288263747.db2.gz ZGBVJUPTBWUVHO-GXSJLCMTSA-N -2 3 361.372 0.614 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCC[C@@H](OC)C1 ZINC001606343324 1288265151 /nfs/dbraw/zinc/26/51/51/1288265151.db2.gz UAYFSAFSYFTYKN-NJMOYASZSA-N -2 3 363.432 0.516 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCC[C@H](OC)C1 ZINC001606343321 1288265263 /nfs/dbraw/zinc/26/52/63/1288265263.db2.gz UAYFSAFSYFTYKN-JZRPKSSGSA-N -2 3 363.432 0.516 20 0 FCADHL COC(=O)C1(CS(=O)(=O)[N-]Cc2nc(C(=O)[O-])co2)CCCCC1 ZINC001606351887 1288268620 /nfs/dbraw/zinc/26/86/20/1288268620.db2.gz LRKKTLVMLAMFMA-UHFFFAOYSA-N -2 3 360.388 0.916 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)n1 ZINC001609477608 1289170488 /nfs/dbraw/zinc/17/04/88/1289170488.db2.gz OFTWSKFQLWUPHD-UHFFFAOYSA-N -2 3 374.308 0.815 20 0 FCADHL O=C(C=Cc1ccc[nH]1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001606482492 1288341228 /nfs/dbraw/zinc/34/12/28/1288341228.db2.gz TVGSGKCUZXVLLG-FPLPWBNLSA-N -2 3 358.383 0.854 20 0 FCADHL O=C(C=Cc1ccc[nH]1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001606482492 1288341231 /nfs/dbraw/zinc/34/12/31/1288341231.db2.gz TVGSGKCUZXVLLG-FPLPWBNLSA-N -2 3 358.383 0.854 20 0 FCADHL COC(=O)[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001606505113 1288348040 /nfs/dbraw/zinc/34/80/40/1288348040.db2.gz DPXNTXQMFOYIRE-SNVBAGLBSA-N -2 3 351.327 0.958 20 0 FCADHL O=C(C[C@H]1CCCOC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001606504030 1288349097 /nfs/dbraw/zinc/34/90/97/1288349097.db2.gz OIYHNWWZMZKFTN-LLVKDONJSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(C[C@H]1CCCOC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001606504030 1288349100 /nfs/dbraw/zinc/34/91/00/1288349100.db2.gz OIYHNWWZMZKFTN-LLVKDONJSA-N -2 3 365.415 0.629 20 0 FCADHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)CO ZINC001606582964 1288395639 /nfs/dbraw/zinc/39/56/39/1288395639.db2.gz DHROLFIBFKWENK-UHFFFAOYSA-N -2 3 353.299 0.077 20 0 FCADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](CF)C(=O)OC ZINC001606638211 1288420181 /nfs/dbraw/zinc/42/01/81/1288420181.db2.gz OWYBDTUNINOECQ-YFKPBYRVSA-N -2 3 369.348 0.022 20 0 FCADHL COC1(C[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C(=O)[O-])CCC1 ZINC001606714134 1288463684 /nfs/dbraw/zinc/46/36/84/1288463684.db2.gz FLOHNSHYALWMOV-SSDOTTSWSA-N -3 3 364.401 0.532 20 0 FCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)c1cc2c([nH]c1=O)CCOC2 ZINC001606863498 1288542277 /nfs/dbraw/zinc/54/22/77/1288542277.db2.gz CKFXWSBRYMWVHE-UHFFFAOYSA-N -2 3 354.326 0.764 20 0 FCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)c1cc2c([nH]c1=O)CCOC2 ZINC001606863498 1288542279 /nfs/dbraw/zinc/54/22/79/1288542279.db2.gz CKFXWSBRYMWVHE-UHFFFAOYSA-N -2 3 354.326 0.764 20 0 FCADHL O=C([O-])CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001606958055 1288574368 /nfs/dbraw/zinc/57/43/68/1288574368.db2.gz PGVQTOWYQODOJY-UHFFFAOYSA-N -2 3 365.293 0.639 20 0 FCADHL O=C([O-])C[C@H]1CCCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606960018 1288575593 /nfs/dbraw/zinc/57/55/93/1288575593.db2.gz FOVXMDXITMISLP-GFCCVEGCSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C1CCC1 ZINC001606960706 1288576434 /nfs/dbraw/zinc/57/64/34/1288576434.db2.gz SZZOWTKRUCXZPD-LLVKDONJSA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606960841 1288576612 /nfs/dbraw/zinc/57/66/12/1288576612.db2.gz NKFGMWCJEPRNCX-MRVPVSSYSA-N -2 3 355.351 0.491 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001606962364 1288577541 /nfs/dbraw/zinc/57/75/41/1288577541.db2.gz RRVWXAMVIJNZCC-KOLCDFICSA-N -2 3 369.378 0.679 20 0 FCADHL COc1cc(C[N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)on1 ZINC001607164172 1288675581 /nfs/dbraw/zinc/67/55/81/1288675581.db2.gz IQHVWFIMUIPATK-UHFFFAOYSA-N -2 3 372.355 0.877 20 0 FCADHL COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC001607225245 1288687566 /nfs/dbraw/zinc/68/75/66/1288687566.db2.gz WRVRMKUFIPBDPW-JTQLQIEISA-N -2 3 372.424 0.904 20 0 FCADHL COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001607338495 1288699153 /nfs/dbraw/zinc/69/91/53/1288699153.db2.gz RBPZXERSOZJYSQ-JTQLQIEISA-N -2 3 355.372 0.437 20 0 FCADHL CS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1 ZINC001607382972 1288703575 /nfs/dbraw/zinc/70/35/75/1288703575.db2.gz ZSLLVXPJZNQVMY-UHFFFAOYSA-N -2 3 360.369 0.255 20 0 FCADHL Cc1nc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)sc1C(=O)[O-] ZINC001607954313 1288751279 /nfs/dbraw/zinc/75/12/79/1288751279.db2.gz FNKRIBIXUPINEP-UHFFFAOYSA-N -3 3 360.369 0.962 20 0 FCADHL Cn1cc([C@H](CO)[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC001608106629 1288769112 /nfs/dbraw/zinc/76/91/12/1288769112.db2.gz ZYQMNAUFNNHFMG-NSHDSACASA-N -2 3 361.326 0.408 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)c(Br)n1 ZINC001608121476 1288773448 /nfs/dbraw/zinc/77/34/48/1288773448.db2.gz DAESHFZMWSRHRZ-UHFFFAOYSA-N -2 3 364.177 0.952 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]Cc2ccoc2C(=O)[O-])c(Br)n1 ZINC001608121593 1288773534 /nfs/dbraw/zinc/77/35/34/1288773534.db2.gz OQAYHRLUUVSLPJ-UHFFFAOYSA-N -2 3 364.177 0.952 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)c(Br)n1 ZINC001608122053 1288775071 /nfs/dbraw/zinc/77/50/71/1288775071.db2.gz SRTCULXPDYRZTR-SSDOTTSWSA-N -2 3 350.194 0.634 20 0 FCADHL Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001608138551 1288779603 /nfs/dbraw/zinc/77/96/03/1288779603.db2.gz BPADPLCULPEUGC-UHFFFAOYSA-N -2 3 365.396 0.860 20 0 FCADHL O=C([O-])C(F)=C(Nc1ccc(F)c(F)c1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001609044803 1288887069 /nfs/dbraw/zinc/88/70/69/1288887069.db2.gz XWVBJJMKUDKFFI-MRVPVSSYSA-N -3 3 359.285 0.584 20 0 FCADHL CC(C)(CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)CC(=O)[O-] ZINC001609083867 1288909517 /nfs/dbraw/zinc/90/95/17/1288909517.db2.gz YBTKJXUVYLSKDF-UHFFFAOYSA-N -2 3 371.394 0.926 20 0 FCADHL CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001609092888 1288914314 /nfs/dbraw/zinc/91/43/14/1288914314.db2.gz GFFBEERLFUZCPA-LLVKDONJSA-N -2 3 357.367 0.783 20 0 FCADHL CC(C)C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)[O-] ZINC001609092949 1288915335 /nfs/dbraw/zinc/91/53/35/1288915335.db2.gz IPWWXQXRHAPKLB-MRVPVSSYSA-N -2 3 359.433 0.953 20 0 FCADHL CC(C)CN(CCC(=O)[O-])S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609095263 1288917262 /nfs/dbraw/zinc/91/72/62/1288917262.db2.gz GGXXSFGOJNKRNP-UHFFFAOYSA-N -2 3 354.392 0.383 20 0 FCADHL CC(C)CN(CCC(=O)[O-])S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609095263 1288917267 /nfs/dbraw/zinc/91/72/67/1288917267.db2.gz GGXXSFGOJNKRNP-UHFFFAOYSA-N -2 3 354.392 0.383 20 0 FCADHL CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001609103975 1288920996 /nfs/dbraw/zinc/92/09/96/1288920996.db2.gz FMVASISCVWEJAM-JTQLQIEISA-N -2 3 350.310 0.170 20 0 FCADHL CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001609103975 1288920998 /nfs/dbraw/zinc/92/09/98/1288920998.db2.gz FMVASISCVWEJAM-JTQLQIEISA-N -2 3 350.310 0.170 20 0 FCADHL C[C@@H](CN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001609112067 1288926976 /nfs/dbraw/zinc/92/69/76/1288926976.db2.gz RHVGYZKYXVRQDD-LURJTMIESA-N -2 3 361.330 0.486 20 0 FCADHL C[C@@H](CN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001609112067 1288926982 /nfs/dbraw/zinc/92/69/82/1288926982.db2.gz RHVGYZKYXVRQDD-LURJTMIESA-N -2 3 361.330 0.486 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609142586 1288944836 /nfs/dbraw/zinc/94/48/36/1288944836.db2.gz DVTVCGWRNSNCMR-WFASDCNBSA-N -2 3 365.415 0.930 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609142586 1288944838 /nfs/dbraw/zinc/94/48/38/1288944838.db2.gz DVTVCGWRNSNCMR-WFASDCNBSA-N -2 3 365.415 0.930 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C(=O)[O-] ZINC001609166367 1288960699 /nfs/dbraw/zinc/96/06/99/1288960699.db2.gz ACFQQZRTUONXPE-GWCFXTLKSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C(=O)[O-] ZINC001609166367 1288960705 /nfs/dbraw/zinc/96/07/05/1288960705.db2.gz ACFQQZRTUONXPE-GWCFXTLKSA-N -2 3 372.385 0.052 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C(=O)[O-] ZINC001609167237 1288960910 /nfs/dbraw/zinc/96/09/10/1288960910.db2.gz RROQGJOVVSEAAK-CABZTGNLSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C(=O)[O-] ZINC001609167237 1288960914 /nfs/dbraw/zinc/96/09/14/1288960914.db2.gz RROQGJOVVSEAAK-CABZTGNLSA-N -2 3 358.358 0.374 20 0 FCADHL O=C([O-])C1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001609571526 1289233048 /nfs/dbraw/zinc/23/30/48/1289233048.db2.gz LAJPIGQGJXVAGY-UHFFFAOYSA-N -2 3 357.417 0.850 20 0 FCADHL O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C(F)F ZINC001609572034 1289234207 /nfs/dbraw/zinc/23/42/07/1289234207.db2.gz IZMNEFZCZCQDNE-NXEZZACHSA-N -2 3 373.341 0.453 20 0 FCADHL O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C(F)F ZINC001609572034 1289234213 /nfs/dbraw/zinc/23/42/13/1289234213.db2.gz IZMNEFZCZCQDNE-NXEZZACHSA-N -2 3 373.341 0.453 20 0 FCADHL O=S(=O)([N-]c1cnn(CCO)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609596500 1289254297 /nfs/dbraw/zinc/25/42/97/1289254297.db2.gz NWFAPZQYAHCALQ-UHFFFAOYSA-N -2 3 369.794 0.510 20 0 FCADHL O=S(=O)([N-]c1cnn(CCO)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609596500 1289254305 /nfs/dbraw/zinc/25/43/05/1289254305.db2.gz NWFAPZQYAHCALQ-UHFFFAOYSA-N -2 3 369.794 0.510 20 0 FCADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001609715801 1289284788 /nfs/dbraw/zinc/28/47/88/1289284788.db2.gz CDUPDHQJWPGQSN-PWSUYJOCSA-N -2 3 367.368 0.697 20 0 FCADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001609715800 1289285173 /nfs/dbraw/zinc/28/51/73/1289285173.db2.gz CDUPDHQJWPGQSN-JQWIXIFHSA-N -2 3 367.368 0.697 20 0 FCADHL C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001609748051 1289289779 /nfs/dbraw/zinc/28/97/79/1289289779.db2.gz JAAFQMDZZYMNMM-ZCFIWIBFSA-N -2 3 373.811 0.889 20 0 FCADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])[C@@]12CCCO2 ZINC001610031047 1289352707 /nfs/dbraw/zinc/35/27/07/1289352707.db2.gz LRSUSWNOUDTPIC-RULNRJAQSA-N -2 3 359.404 0.421 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)ccc1F ZINC001610147904 1289398288 /nfs/dbraw/zinc/39/82/88/1289398288.db2.gz XORQMEASBQPCQP-ZDUSSCGKSA-N -2 3 374.390 0.032 20 0 FCADHL COC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001610243155 1289435821 /nfs/dbraw/zinc/43/58/21/1289435821.db2.gz IBNHOTYAPQOOCP-GFCCVEGCSA-N -2 3 355.771 0.853 20 0 FCADHL CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001610240207 1289435923 /nfs/dbraw/zinc/43/59/23/1289435923.db2.gz AVJWVJGXIIITFU-PSASIEDQSA-N -2 3 365.354 0.993 20 0 FCADHL COCCNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001610261526 1289441468 /nfs/dbraw/zinc/44/14/68/1289441468.db2.gz HWUDPXUMLPTBLW-JTQLQIEISA-N -2 3 362.404 0.433 20 0 FCADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001610290272 1289453539 /nfs/dbraw/zinc/45/35/39/1289453539.db2.gz YYRQMWHWSNSEMX-UHFFFAOYSA-N -2 3 365.367 0.636 20 0 FCADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001610447727 1289488280 /nfs/dbraw/zinc/48/82/80/1289488280.db2.gz UXVUXDHKMBGYFO-UHFFFAOYSA-N -2 3 356.400 0.521 20 0 FCADHL Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)CC3(C(=O)[O-])CCCC3)C2=O)cn1 ZINC001610604081 1289523849 /nfs/dbraw/zinc/52/38/49/1289523849.db2.gz DDAZJPXOZZBKIA-GFCCVEGCSA-N -2 3 370.431 0.090 20 0 FCADHL O=C([O-])C1CCC(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001610698671 1289560855 /nfs/dbraw/zinc/56/08/55/1289560855.db2.gz CYDICWKPQBEJSX-UHFFFAOYSA-N -2 3 363.296 0.199 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001610735924 1289571914 /nfs/dbraw/zinc/57/19/14/1289571914.db2.gz RMGIMFMROCHSPH-NXEZZACHSA-N -2 3 351.325 0.268 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1 ZINC001610872186 1289614013 /nfs/dbraw/zinc/61/40/13/1289614013.db2.gz BINHNWUYSIFNHH-ZCFIWIBFSA-N -2 3 359.351 0.756 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2O1 ZINC001610871550 1289614156 /nfs/dbraw/zinc/61/41/56/1289614156.db2.gz OJHZCSWWVTYCMR-QMMMGPOBSA-N -2 3 356.381 0.960 20 0 FCADHL COCCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000748768755 836324730 /nfs/dbraw/zinc/32/47/30/836324730.db2.gz CIGKQRDTHUFKHS-UHFFFAOYSA-N -2 3 373.250 0.483 20 0 FCADHL Cc1ccc(S(=O)(=O)NCC(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001143072825 849474531 /nfs/dbraw/zinc/47/45/31/849474531.db2.gz XTXGEVBSBNOVOB-UHFFFAOYSA-N -2 3 364.360 0.347 20 0 FCADHL CCOC(=O)c1cnc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])[n-]1 ZINC001148915534 849620617 /nfs/dbraw/zinc/62/06/17/849620617.db2.gz RQNFVKNGIHQBEK-UHFFFAOYSA-N -3 3 355.328 0.791 20 0 FCADHL CCOC(=O)c1c[n-]c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001148915534 849620621 /nfs/dbraw/zinc/62/06/21/849620621.db2.gz RQNFVKNGIHQBEK-UHFFFAOYSA-N -3 3 355.328 0.791 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])c1nc2c(=O)[nH]c3ccccc3n2n1 ZINC001149837686 849648370 /nfs/dbraw/zinc/64/83/70/849648370.db2.gz HYVZJYXZLZCZAA-UHFFFAOYSA-N -2 3 365.286 0.259 20 0 FCADHL Cc1cc(C)c(NC(=O)Cn2cc(F)c(=O)[n-]c2=O)c(S(=O)(=O)[O-])c1 ZINC001183661813 851260910 /nfs/dbraw/zinc/26/09/10/851260910.db2.gz WMZVDVKRDGUPIA-UHFFFAOYSA-N -2 3 371.346 0.590 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185566615 851364417 /nfs/dbraw/zinc/36/44/17/851364417.db2.gz PVLYJPPOCUFUSN-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185566615 851364426 /nfs/dbraw/zinc/36/44/26/851364426.db2.gz PVLYJPPOCUFUSN-UHFFFAOYSA-N -2 3 360.355 0.849 20 0 FCADHL CCOC(=O)C(NS(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1)=C(C)[O-] ZINC001192660548 852272044 /nfs/dbraw/zinc/27/20/44/852272044.db2.gz URSMKXKLOAPCPJ-ZDUSSCGKSA-N -2 3 373.383 0.583 20 0 FCADHL Cc1noc(C2([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)CC2)n1 ZINC001192749272 852286702 /nfs/dbraw/zinc/28/67/02/852286702.db2.gz BFBIYHKOYGENMZ-UHFFFAOYSA-N -2 3 353.356 0.809 20 0 FCADHL CO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195245260 852730710 /nfs/dbraw/zinc/73/07/10/852730710.db2.gz DDUGWZLJCJYYGA-GHMZBOCLSA-N -2 3 351.327 0.745 20 0 FCADHL O=C([O-])CCC(=O)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001196188719 852907797 /nfs/dbraw/zinc/90/77/97/852907797.db2.gz OKQBQMDCBTVPFL-UHFFFAOYSA-N -2 3 351.178 0.556 20 0 FCADHL CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](Oc3nc(=O)[n-]c(=O)[n-]3)CC[C@@H]21 ZINC001227568909 857165966 /nfs/dbraw/zinc/16/59/66/857165966.db2.gz QDJRBEFWNGJCCW-GUBZILKMSA-N -2 3 354.363 0.829 20 0 FCADHL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=S)nc2cnccc21)[C@@H](O)C(=O)[O-] ZINC001227886338 857182759 /nfs/dbraw/zinc/18/27/59/857182759.db2.gz SWUAAHDZAAXULO-HZGVNTEJSA-N -3 3 353.312 0.129 20 0 FCADHL COc1cc(CN(C)C)cc(F)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234240755 857398946 /nfs/dbraw/zinc/39/89/46/857398946.db2.gz JRNXUGXZVAKJRK-SNVBAGLBSA-N -2 3 367.266 0.272 20 0 FCADHL CC(C)NC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259222148 858249137 /nfs/dbraw/zinc/24/91/37/858249137.db2.gz KEXHHDXGGAIFJA-UHFFFAOYSA-N -2 3 352.771 0.980 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC(=O)NC2)c(F)cc1Cl ZINC001259223159 858249221 /nfs/dbraw/zinc/24/92/21/858249221.db2.gz QEVFBENIZPSYGO-SSDOTTSWSA-N -2 3 364.782 0.982 20 0 FCADHL CN1CCO[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001259221538 858249313 /nfs/dbraw/zinc/24/93/13/858249313.db2.gz LHICWHIPPRZYDF-QMMMGPOBSA-N -2 3 366.798 0.786 20 0 FCADHL CN1C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1=O ZINC001259223242 858249341 /nfs/dbraw/zinc/24/93/41/858249341.db2.gz UTBWDQJZCITYLX-ZETCQYMHSA-N -2 3 364.782 0.934 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC(=O)N2)c(F)cc1Cl ZINC001259222173 858249608 /nfs/dbraw/zinc/24/96/08/858249608.db2.gz KROXIJDHMBLNQO-ZCFIWIBFSA-N -2 3 350.755 0.734 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCOC2)c(F)cc1Cl ZINC001259224846 858250198 /nfs/dbraw/zinc/25/01/98/858250198.db2.gz RWNJHHSDFUNRNT-RDDDGLTNSA-N -2 3 367.782 0.853 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@]2(CO)CCOC2)c(F)cc1Cl ZINC001259225653 858250329 /nfs/dbraw/zinc/25/03/29/858250329.db2.gz AFOOVAWSKHKGHQ-LBPRGKRZSA-N -2 3 353.755 0.607 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1[O-] ZINC001260400584 858369169 /nfs/dbraw/zinc/36/91/69/858369169.db2.gz TYTJYWBRUQDDCY-UHFFFAOYSA-N -3 3 352.324 0.696 20 0 FCADHL CS(=O)(=O)c1ccccc1S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001260524283 858378925 /nfs/dbraw/zinc/37/89/25/858378925.db2.gz QZLULPGSLJPDJH-UHFFFAOYSA-N -2 3 371.373 0.326 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1n[n-]c(C(F)(F)F)n1 ZINC001309896292 866956071 /nfs/dbraw/zinc/95/60/71/866956071.db2.gz RFJHFRBNCDXOLN-ZCFIWIBFSA-N -2 3 361.371 0.981 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-][C@H](Cn2cc(Cl)cn2)C(=O)[O-])s1 ZINC001320567363 868202381 /nfs/dbraw/zinc/20/23/81/868202381.db2.gz FBIXIGDPZHMBJV-MRVPVSSYSA-N -2 3 350.809 0.733 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001600680140 970845547 /nfs/dbraw/zinc/84/55/47/970845547.db2.gz BGGJQHWVECZWFE-GOSISDBHSA-N -2 3 372.381 0.433 20 0 FCADHL CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000322772499 970928334 /nfs/dbraw/zinc/92/83/34/970928334.db2.gz IROXQURWTMPHQT-LURJTMIESA-N -2 3 352.771 0.980 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450607 948317023 /nfs/dbraw/zinc/31/70/23/948317023.db2.gz UGTMLNATTOXJHV-UHFFFAOYSA-N -2 3 369.366 0.862 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450607 948317028 /nfs/dbraw/zinc/31/70/28/948317028.db2.gz UGTMLNATTOXJHV-UHFFFAOYSA-N -2 3 369.366 0.862 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1nc(=O)o[n-]1 ZINC001573823463 949829558 /nfs/dbraw/zinc/82/95/58/949829558.db2.gz XFYHJKIUBQJKDG-MNOVXSKESA-N -2 3 373.373 0.480 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1nc(=O)o[n-]1 ZINC001573823463 949829581 /nfs/dbraw/zinc/82/95/81/949829581.db2.gz XFYHJKIUBQJKDG-MNOVXSKESA-N -2 3 373.373 0.480 20 0 FCADHL CCN1CC[C@@H]1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589741375 950599271 /nfs/dbraw/zinc/59/92/71/950599271.db2.gz MBMUXAHRVHFAMI-BBBLOLIVSA-N -2 3 351.325 0.203 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574768063 950880251 /nfs/dbraw/zinc/88/02/51/950880251.db2.gz XJLVRZILDMISSA-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574768063 950880266 /nfs/dbraw/zinc/88/02/66/950880266.db2.gz XJLVRZILDMISSA-VIFPVBQESA-N -2 3 370.373 0.186 20 0 FCADHL CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c([O-])c1 ZINC001591176113 951085490 /nfs/dbraw/zinc/08/54/90/951085490.db2.gz GVESWGFXVOPMGX-LLVKDONJSA-N -2 3 364.354 0.831 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575067595 951615603 /nfs/dbraw/zinc/61/56/03/951615603.db2.gz MVFLAONEWDYGEJ-VIFPVBQESA-N -2 3 372.364 0.756 20 0 FCADHL C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575067595 951615605 /nfs/dbraw/zinc/61/56/05/951615605.db2.gz MVFLAONEWDYGEJ-VIFPVBQESA-N -2 3 372.364 0.756 20 0 FCADHL O=C([O-])CNC(=O)CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC001595100609 951852776 /nfs/dbraw/zinc/85/27/76/951852776.db2.gz GXIIBVVJANGQPC-UHFFFAOYSA-N -2 3 373.394 0.873 20 0 FCADHL C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncccc1[O-] ZINC001575126389 952049221 /nfs/dbraw/zinc/04/92/21/952049221.db2.gz RJLYPCMKIUVHDU-JTQLQIEISA-N -2 3 354.374 0.935 20 0 FCADHL C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ncccc1[O-] ZINC001575128990 952074940 /nfs/dbraw/zinc/07/49/40/952074940.db2.gz OCFDGNLMVNOUCI-JTQLQIEISA-N -2 3 354.374 0.935 20 0 FCADHL C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ncccc1[O-] ZINC001575128990 952074947 /nfs/dbraw/zinc/07/49/47/952074947.db2.gz OCFDGNLMVNOUCI-JTQLQIEISA-N -2 3 354.374 0.935 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001595180018 952249327 /nfs/dbraw/zinc/24/93/27/952249327.db2.gz UXFMRTLXFZSOBQ-HTQZYQBOSA-N -2 3 366.848 0.907 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1CCC2(COC2)O1 ZINC001594896615 954568572 /nfs/dbraw/zinc/56/85/72/954568572.db2.gz QOERQKJSXLOIOB-AXFHLTTASA-N -2 3 366.336 0.531 20 0 FCADHL O=C([O-])CC1(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)CCOCC1 ZINC001594970337 955106483 /nfs/dbraw/zinc/10/64/83/955106483.db2.gz HDVZTWRMCHAGDD-UHFFFAOYSA-N -2 3 352.309 0.395 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594502975 955339718 /nfs/dbraw/zinc/33/97/18/955339718.db2.gz RHJUTBNNSRWXGG-GFCCVEGCSA-N -2 3 373.431 0.673 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001594503332 955342603 /nfs/dbraw/zinc/34/26/03/955342603.db2.gz YKTPYKSHVZXINR-LLVKDONJSA-N -2 3 361.420 0.433 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001594503333 955342938 /nfs/dbraw/zinc/34/29/38/955342938.db2.gz YKTPYKSHVZXINR-NSHDSACASA-N -2 3 361.420 0.433 20 0 FCADHL C[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1I)C(=O)[O-] ZINC001589072099 955781466 /nfs/dbraw/zinc/78/14/66/955781466.db2.gz JKCURCJEGIOTAV-YFKPBYRVSA-N -2 3 373.172 0.024 20 0 FCADHL Cc1cc(=O)[n-]c(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC001594327439 958187047 /nfs/dbraw/zinc/18/70/47/958187047.db2.gz YRRVMHKTRAPYFN-LDYMZIIASA-N -3 3 362.308 0.587 20 0 FCADHL O=C([O-])c1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)nc1 ZINC001605726030 972355087 /nfs/dbraw/zinc/35/50/87/972355087.db2.gz UKLDXKRQNWPWFG-UHFFFAOYSA-N -2 3 369.131 0.443 20 0 FCADHL COC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000229032809 960054458 /nfs/dbraw/zinc/05/44/58/960054458.db2.gz MGIGCEKTWAMTBE-YFKPBYRVSA-N -2 3 358.166 0.026 20 0 FCADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)COCC(=O)[O-])c2)n[n-]1 ZINC001573905796 961453402 /nfs/dbraw/zinc/45/34/02/961453402.db2.gz PZAFCXDIAVQWOG-UHFFFAOYSA-N -2 3 362.342 0.366 20 0 FCADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)COCC(=O)[O-])c2)[n-]1 ZINC001573905796 961453415 /nfs/dbraw/zinc/45/34/15/961453415.db2.gz PZAFCXDIAVQWOG-UHFFFAOYSA-N -2 3 362.342 0.366 20 0 FCADHL O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1ccc3c(c1)C(=O)[N-]C3=O)O2 ZINC001574563885 962022961 /nfs/dbraw/zinc/02/29/61/962022961.db2.gz BXSRQPSMXOUWHP-ARAINJGVSA-N -2 3 358.350 0.712 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)[N-][C@H]2CN(c3ccccc3)C2=O)CC1 ZINC001574656711 962467924 /nfs/dbraw/zinc/46/79/24/962467924.db2.gz JKAMLVHFHWRFAK-ZDUSSCGKSA-N -2 3 353.400 0.033 20 0 FCADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1cccs1 ZINC000320013658 970602103 /nfs/dbraw/zinc/60/21/03/970602103.db2.gz FHILJHZAAXEOCI-MRVPVSSYSA-N -2 3 359.385 0.752 20 0 FCADHL CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320057421 970607696 /nfs/dbraw/zinc/60/76/96/970607696.db2.gz MCPNDMLGCFKMDE-ZETCQYMHSA-N -2 3 350.343 0.856 20 0 FCADHL Cn1cc(Br)c(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC000393292266 972580956 /nfs/dbraw/zinc/58/09/56/972580956.db2.gz AAVLRPXLMLCYIY-UHFFFAOYSA-N -2 3 364.181 0.082 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)ccc1F ZINC001604248648 972771998 /nfs/dbraw/zinc/77/19/98/972771998.db2.gz IHUFFICVIKLWID-GFCCVEGCSA-N -2 3 370.362 0.023 20 0 FCADHL Cn1nccc1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000402570449 973625763 /nfs/dbraw/zinc/62/57/63/973625763.db2.gz MMPIJVNADALQNE-LLVKDONJSA-N -2 3 358.307 0.572 20 0 FCADHL C[C@@](CO)([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC001592755526 979331905 /nfs/dbraw/zinc/33/19/05/979331905.db2.gz JMCQPLYOHVYTOK-JTQLQIEISA-N -2 3 361.269 0.838 20 0 FCADHL C[C@@H]([N-]C(=O)C(F)(F)C(=O)N1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001592991068 980186108 /nfs/dbraw/zinc/18/61/08/980186108.db2.gz XAPFSMYUMVAEFR-SSDOTTSWSA-N -2 3 363.342 0.513 20 0 FCADHL C[C@@H](NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C1=CCN(C)CC1 ZINC001593051145 980347157 /nfs/dbraw/zinc/34/71/57/980347157.db2.gz IVZKCSWQWGBBCH-ZHKKWPCLSA-N -2 3 365.430 0.844 20 0 FCADHL CCCNC(=O)c1cccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1 ZINC001595930670 983056015 /nfs/dbraw/zinc/05/60/15/983056015.db2.gz HLBVYBRPHMUKAM-UHFFFAOYSA-N -2 3 367.383 0.991 20 0 FCADHL 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COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])cc1F ZINC000278193149 546868785 /nfs/dbraw/zinc/86/87/85/546868785.db2.gz RLWWXQMMEXCIHH-ZETCQYMHSA-N -3 3 363.319 0.066 20 0 FCADHL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000551936403 547176285 /nfs/dbraw/zinc/17/62/85/547176285.db2.gz MECPGSYVVVHHIN-OAHLLOKOSA-N -2 3 363.399 0.584 20 0 FCADHL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000551936402 547176751 /nfs/dbraw/zinc/17/67/51/547176751.db2.gz MECPGSYVVVHHIN-HNNXBMFYSA-N -2 3 363.399 0.584 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1COc2ccccc21 ZINC000738138646 598856168 /nfs/dbraw/zinc/85/61/68/598856168.db2.gz HHTHGKPOCFFDON-CYBMUJFWSA-N -2 3 371.378 0.848 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1COc2ccccc21 ZINC000738138646 598856169 /nfs/dbraw/zinc/85/61/69/598856169.db2.gz HHTHGKPOCFFDON-CYBMUJFWSA-N -2 3 371.378 0.848 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1COc2ccccc21 ZINC000738140414 598856235 /nfs/dbraw/zinc/85/62/35/598856235.db2.gz UOJKCRJKNZFNHW-ZDUSSCGKSA-N -2 3 371.378 0.848 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1COc2ccccc21 ZINC000738140414 598856236 /nfs/dbraw/zinc/85/62/36/598856236.db2.gz UOJKCRJKNZFNHW-ZDUSSCGKSA-N -2 3 371.378 0.848 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2nncn2c1 ZINC000738140825 598856412 /nfs/dbraw/zinc/85/64/12/598856412.db2.gz XDMVUMNFZZFADC-UHFFFAOYSA-N -2 3 370.354 0.028 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2nncn2c1 ZINC000738140825 598856414 /nfs/dbraw/zinc/85/64/14/598856414.db2.gz XDMVUMNFZZFADC-UHFFFAOYSA-N -2 3 370.354 0.028 20 0 FCADHL Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737511735 598856481 /nfs/dbraw/zinc/85/64/81/598856481.db2.gz RIGSBQGZVQTFDB-UHFFFAOYSA-N -2 3 361.387 0.168 20 0 FCADHL Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737511735 598856482 /nfs/dbraw/zinc/85/64/82/598856482.db2.gz RIGSBQGZVQTFDB-UHFFFAOYSA-N -2 3 361.387 0.168 20 0 FCADHL CCOCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736610189 598975560 /nfs/dbraw/zinc/97/55/60/598975560.db2.gz ICOSSIDDBWMRLY-UHFFFAOYSA-N -2 3 353.404 0.797 20 0 FCADHL CCOCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736610189 598975562 /nfs/dbraw/zinc/97/55/62/598975562.db2.gz ICOSSIDDBWMRLY-UHFFFAOYSA-N -2 3 353.404 0.797 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cn1 ZINC000737073104 598975788 /nfs/dbraw/zinc/97/57/88/598975788.db2.gz ZLMNDMCOTIWFNO-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000737073104 598975789 /nfs/dbraw/zinc/97/57/89/598975789.db2.gz ZLMNDMCOTIWFNO-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)COCC1CC1 ZINC000737298492 598975105 /nfs/dbraw/zinc/97/51/05/598975105.db2.gz LEDJSZLUVMTMOF-UHFFFAOYSA-N -2 3 351.388 0.407 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)COCC1CC1 ZINC000737298492 598975106 /nfs/dbraw/zinc/97/51/06/598975106.db2.gz LEDJSZLUVMTMOF-UHFFFAOYSA-N -2 3 351.388 0.407 20 0 FCADHL O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)[N-]C(=O)c1ccccc1 ZINC000737908133 599132780 /nfs/dbraw/zinc/13/27/80/599132780.db2.gz IJAMYACPLBVYCX-UHFFFAOYSA-N -2 3 352.310 0.375 20 0 FCADHL O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)[N-]C(=O)c1ccccc1 ZINC000737908133 599132782 /nfs/dbraw/zinc/13/27/82/599132782.db2.gz IJAMYACPLBVYCX-UHFFFAOYSA-N -2 3 352.310 0.375 20 0 FCADHL COCCCn1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000736989583 599166825 /nfs/dbraw/zinc/16/68/25/599166825.db2.gz WIPPHCJRLMMNKR-UHFFFAOYSA-N -2 3 363.403 0.901 20 0 FCADHL COCCCn1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000736989583 599166826 /nfs/dbraw/zinc/16/68/26/599166826.db2.gz WIPPHCJRLMMNKR-UHFFFAOYSA-N -2 3 363.403 0.901 20 0 FCADHL C[C@@H](CC(=O)N(C)[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000769525607 597055027 /nfs/dbraw/zinc/05/50/27/597055027.db2.gz JGPGGIOBWPSPKZ-IUCAKERBSA-N -2 3 363.823 0.723 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C ZINC000760099081 597373458 /nfs/dbraw/zinc/37/34/58/597373458.db2.gz DIJZTHKKJAIPLN-VIFPVBQESA-N -2 3 350.780 0.909 20 0 FCADHL O=S(=O)([N-]c1cccc(-c2nc[nH]n2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341113 599263186 /nfs/dbraw/zinc/26/31/86/599263186.db2.gz FTJCGLKMPQAGBP-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL O=S(=O)([N-]c1cccc(-c2nc[nH]n2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341113 599263189 /nfs/dbraw/zinc/26/31/89/599263189.db2.gz FTJCGLKMPQAGBP-UHFFFAOYSA-N -2 3 369.370 0.848 20 0 FCADHL O=C([O-])c1ccccc1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000821426441 598173511 /nfs/dbraw/zinc/17/35/11/598173511.db2.gz VQUIEZVYTBWMAL-UHFFFAOYSA-N -2 3 371.349 0.575 20 0 FCADHL O=C(c1ncccc1[O-])N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738293186 598285864 /nfs/dbraw/zinc/28/58/64/598285864.db2.gz RRZZZZKWPSYRBT-UHFFFAOYSA-N -2 3 352.358 0.325 20 0 FCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735859358 598331404 /nfs/dbraw/zinc/33/14/04/598331404.db2.gz SICBEHCJBWIRJY-CMDGGOBGSA-N -2 3 350.404 0.581 20 0 FCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735859358 598331406 /nfs/dbraw/zinc/33/14/06/598331406.db2.gz SICBEHCJBWIRJY-CMDGGOBGSA-N -2 3 350.404 0.581 20 0 FCADHL CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736619706 598416407 /nfs/dbraw/zinc/41/64/07/598416407.db2.gz ZASYEMJDPYHFNJ-SSDOTTSWSA-N -2 3 359.795 0.750 20 0 FCADHL CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736619706 598416408 /nfs/dbraw/zinc/41/64/08/598416408.db2.gz ZASYEMJDPYHFNJ-SSDOTTSWSA-N -2 3 359.795 0.750 20 0 FCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000737765783 598438971 /nfs/dbraw/zinc/43/89/71/598438971.db2.gz XFPQCTJRYVYGFV-UHFFFAOYSA-N -2 3 351.373 0.223 20 0 FCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737765783 598438973 /nfs/dbraw/zinc/43/89/73/598438973.db2.gz XFPQCTJRYVYGFV-UHFFFAOYSA-N -2 3 351.373 0.223 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736628054 598740099 /nfs/dbraw/zinc/74/00/99/598740099.db2.gz ZJEZJGAPMBJGSL-SNVBAGLBSA-N -2 3 369.403 0.117 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736628054 598740101 /nfs/dbraw/zinc/74/01/01/598740101.db2.gz ZJEZJGAPMBJGSL-SNVBAGLBSA-N -2 3 369.403 0.117 20 0 FCADHL Cc1ncsc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737498991 599359998 /nfs/dbraw/zinc/35/99/98/599359998.db2.gz IJTVTWGKAFWHBU-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1ncsc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737498991 599359999 /nfs/dbraw/zinc/35/99/99/599359999.db2.gz IJTVTWGKAFWHBU-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821904569 599625532 /nfs/dbraw/zinc/62/55/32/599625532.db2.gz XFUSCKJLDXMKDW-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821904569 599625533 /nfs/dbraw/zinc/62/55/33/599625533.db2.gz XFUSCKJLDXMKDW-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC(=O)NCc2cccnc2)o1 ZINC000739249371 599774835 /nfs/dbraw/zinc/77/48/35/599774835.db2.gz RAITWCXIWHPGPU-UHFFFAOYSA-N -2 3 353.356 0.358 20 0 FCADHL CN(C)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737345017 600016030 /nfs/dbraw/zinc/01/60/30/600016030.db2.gz OOAHVQFOPQZKSG-LBPRGKRZSA-N -2 3 366.395 0.956 20 0 FCADHL O=C([O-])C1CCN(C(=O)CO[N-]C(=O)CCOc2ccccc2)CC1 ZINC000739250276 600126532 /nfs/dbraw/zinc/12/65/32/600126532.db2.gz GABYVRBNLZICTJ-UHFFFAOYSA-N -2 3 350.371 0.827 20 0 FCADHL O=C([O-])CN(CCN1CCOCC1)C(=O)c1nnc2ccccc2c1[O-] ZINC000739791144 600442678 /nfs/dbraw/zinc/44/26/78/600442678.db2.gz LXPYWQZZWXTLTK-UHFFFAOYSA-N -2 3 360.370 0.194 20 0 FCADHL O=C([O-])c1ccc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)o1 ZINC000739359780 600496747 /nfs/dbraw/zinc/49/67/47/600496747.db2.gz QXBRYFYKUAKRNK-UHFFFAOYSA-N -2 3 372.131 0.319 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)o1 ZINC000737556839 600555632 /nfs/dbraw/zinc/55/56/32/600555632.db2.gz CCZPGAPIRNLMIE-UHFFFAOYSA-N -3 3 374.400 0.699 20 0 FCADHL NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000751269880 600675667 /nfs/dbraw/zinc/67/56/67/600675667.db2.gz ITSJPZKUGBNJNB-UHFFFAOYSA-N -2 3 363.348 0.300 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H](C)C(=O)[O-])CCCC1 ZINC000262483788 600881083 /nfs/dbraw/zinc/88/10/83/600881083.db2.gz DWYQYTHLJTUZOC-VIFPVBQESA-N -2 3 359.404 0.472 20 0 FCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833089867 600940933 /nfs/dbraw/zinc/94/09/33/600940933.db2.gz BBEMWDYDDPYZIU-UHFFFAOYSA-N -2 3 354.269 0.475 20 0 FCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833090229 600979306 /nfs/dbraw/zinc/97/93/06/600979306.db2.gz UWUBKPJVXYXRNQ-NXEZZACHSA-N -2 3 350.375 0.966 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821685686 607496468 /nfs/dbraw/zinc/49/64/68/607496468.db2.gz MIKLJONVKZONKY-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821685686 607496470 /nfs/dbraw/zinc/49/64/70/607496470.db2.gz MIKLJONVKZONKY-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL CCOC(=O)C1([N-]S(=O)(=O)N(C)CCC(=O)[O-])Cc2ccccc2C1 ZINC000829827478 601258451 /nfs/dbraw/zinc/25/84/51/601258451.db2.gz LKVKPPMWSKFJAF-UHFFFAOYSA-N -2 3 370.427 0.328 20 0 FCADHL CCOC(=O)[C@@]1([N-]S(=O)(=O)N(C)CCC(=O)[O-])CCc2ccccc21 ZINC000829827506 601262151 /nfs/dbraw/zinc/26/21/51/601262151.db2.gz LWFMOQMVGWEXNP-MRXNPFEDSA-N -2 3 370.427 0.632 20 0 FCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000831586653 601266709 /nfs/dbraw/zinc/26/67/09/601266709.db2.gz XZAVFVYFDLPFMS-LBPRGKRZSA-N -2 3 351.402 0.693 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)c(C)o1 ZINC000831028992 601292014 /nfs/dbraw/zinc/29/20/14/601292014.db2.gz DYEKVAYLUFPTNJ-LBPRGKRZSA-N -2 3 353.356 0.447 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1nnc2n1CCCCC2 ZINC000833345064 601568658 /nfs/dbraw/zinc/56/86/58/601568658.db2.gz JXMPWWLQCLHAJS-UHFFFAOYSA-N -2 3 357.417 0.638 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NCCSCC(=O)[O-])ccc1F ZINC000831029582 601624668 /nfs/dbraw/zinc/62/46/68/601624668.db2.gz XEVHWYRZLMQIOL-UHFFFAOYSA-N -2 3 350.393 0.281 20 0 FCADHL O=C([O-])CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000833245107 601746319 /nfs/dbraw/zinc/74/63/19/601746319.db2.gz NCOWWESVHCFDKA-UHFFFAOYSA-N -2 3 352.821 0.755 20 0 FCADHL COC[C@@](C)([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000831631174 601804875 /nfs/dbraw/zinc/80/48/75/601804875.db2.gz ALJGWKUXOMLAPV-GFCCVEGCSA-N -2 3 367.401 0.311 20 0 FCADHL C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000828326147 601809355 /nfs/dbraw/zinc/80/93/55/601809355.db2.gz NBVOSWLYVKLOBU-MWLCHTKSSA-N -2 3 356.400 0.903 20 0 FCADHL COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C1=O ZINC000832622968 601812191 /nfs/dbraw/zinc/81/21/91/601812191.db2.gz KJPSQHMEQICDDS-MNOVXSKESA-N -2 3 356.400 0.441 20 0 FCADHL CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830519771 602012174 /nfs/dbraw/zinc/01/21/74/602012174.db2.gz VOCGOPVPHDXJHZ-JTQLQIEISA-N -2 3 372.259 0.785 20 0 FCADHL CN(C)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313385 602141340 /nfs/dbraw/zinc/14/13/40/602141340.db2.gz LNVWIQCBNNOVOO-UHFFFAOYSA-N -2 3 355.166 0.107 20 0 FCADHL CC(C)NC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313559 602141726 /nfs/dbraw/zinc/14/17/26/602141726.db2.gz CKEIFJOMSPEKNJ-UHFFFAOYSA-N -2 3 369.193 0.543 20 0 FCADHL Cn1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)cn1 ZINC000055329714 602146811 /nfs/dbraw/zinc/14/68/11/602146811.db2.gz MNFFYTSBTCCDDU-UHFFFAOYSA-N -2 3 364.177 0.952 20 0 FCADHL CCC[C@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825232556 607636028 /nfs/dbraw/zinc/63/60/28/607636028.db2.gz HZIFONWUYWWEQP-ZDUSSCGKSA-N -2 3 361.374 0.974 20 0 FCADHL C[C@@H]1CN(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)[C@H](C)CN1C ZINC000833624711 604613259 /nfs/dbraw/zinc/61/32/59/604613259.db2.gz VSJRLZAXWXXIQD-CHWSQXEVSA-N -2 3 372.425 0.957 20 0 FCADHL CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000323532823 604808208 /nfs/dbraw/zinc/80/82/08/604808208.db2.gz NQKXPQSYHCZKND-UHFFFAOYSA-N -2 3 350.343 0.714 20 0 FCADHL CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833487752 605031947 /nfs/dbraw/zinc/03/19/47/605031947.db2.gz HIUJHVQKSIVNPZ-SECBINFHSA-N -2 3 367.370 0.975 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c[nH]1 ZINC000821667943 606211695 /nfs/dbraw/zinc/21/16/95/606211695.db2.gz HTCWIHCXYASTRY-UHFFFAOYSA-N -2 3 364.343 0.488 20 0 FCADHL Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000822540512 606298193 /nfs/dbraw/zinc/29/81/93/606298193.db2.gz CNUKMIBWDWCZNB-UHFFFAOYSA-N -2 3 355.318 0.313 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCO1 ZINC000820577058 606747693 /nfs/dbraw/zinc/74/76/93/606747693.db2.gz HWIOHHLEVBZJGD-CYBMUJFWSA-N -2 3 371.806 0.894 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCO1 ZINC000820577058 606747695 /nfs/dbraw/zinc/74/76/95/606747695.db2.gz HWIOHHLEVBZJGD-CYBMUJFWSA-N -2 3 371.806 0.894 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCCO1 ZINC000822222390 606749450 /nfs/dbraw/zinc/74/94/50/606749450.db2.gz FJZMLPDOVQYZLZ-GFCCVEGCSA-N -2 3 365.415 0.939 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCCO1 ZINC000822222390 606749451 /nfs/dbraw/zinc/74/94/51/606749451.db2.gz FJZMLPDOVQYZLZ-GFCCVEGCSA-N -2 3 365.415 0.939 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1F ZINC000822203206 606820743 /nfs/dbraw/zinc/82/07/43/606820743.db2.gz IZXPWEBMRRZCAY-UHFFFAOYSA-N -2 3 355.330 0.988 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820973509 606839020 /nfs/dbraw/zinc/83/90/20/606839020.db2.gz XSLKTLNWPIGCDZ-ZYHUDNBSSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820973509 606839021 /nfs/dbraw/zinc/83/90/21/606839021.db2.gz XSLKTLNWPIGCDZ-ZYHUDNBSSA-N -2 3 351.388 0.629 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)O1 ZINC000820971314 606839026 /nfs/dbraw/zinc/83/90/26/606839026.db2.gz BDKKPJSGWJDKFX-WCQYABFASA-N -2 3 365.415 0.770 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)O1 ZINC000820971314 606839027 /nfs/dbraw/zinc/83/90/27/606839027.db2.gz BDKKPJSGWJDKFX-WCQYABFASA-N -2 3 365.415 0.770 20 0 FCADHL O=S(=O)([N-]CCCn1cccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572153 606885693 /nfs/dbraw/zinc/88/56/93/606885693.db2.gz CMGFGKNQZRAXHO-UHFFFAOYSA-N -2 3 369.357 0.710 20 0 FCADHL Cc1nccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822472550 606886840 /nfs/dbraw/zinc/88/68/40/606886840.db2.gz UNKBMTADSOHADD-UHFFFAOYSA-N -2 3 367.341 0.722 20 0 FCADHL C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820307165 606889620 /nfs/dbraw/zinc/88/96/20/606889620.db2.gz JQMLFVWAZLBGKQ-ZETCQYMHSA-N -2 3 370.345 0.103 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)O1 ZINC000820678653 606917179 /nfs/dbraw/zinc/91/71/79/606917179.db2.gz WVNTXDLKXARJNF-CABZTGNLSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)O1 ZINC000820678653 606917182 /nfs/dbraw/zinc/91/71/82/606917182.db2.gz WVNTXDLKXARJNF-CABZTGNLSA-N -2 3 351.388 0.380 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C)O1 ZINC000822222811 606923152 /nfs/dbraw/zinc/92/31/52/606923152.db2.gz UMWBSQWFUGQYOJ-MWLCHTKSSA-N -2 3 351.388 0.548 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C)O1 ZINC000822222811 606923155 /nfs/dbraw/zinc/92/31/55/606923155.db2.gz UMWBSQWFUGQYOJ-MWLCHTKSSA-N -2 3 351.388 0.548 20 0 FCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)c1ccsc1 ZINC000823044661 607094044 /nfs/dbraw/zinc/09/40/44/607094044.db2.gz YJLSMPUVYDZLTC-UHFFFAOYSA-N -2 3 365.396 0.812 20 0 FCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)c1ccsc1 ZINC000823044661 607094046 /nfs/dbraw/zinc/09/40/46/607094046.db2.gz YJLSMPUVYDZLTC-UHFFFAOYSA-N -2 3 365.396 0.812 20 0 FCADHL Cc1cncc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822400200 607185373 /nfs/dbraw/zinc/18/53/73/607185373.db2.gz ZHGPHIVKQXHXIK-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL Cc1cncc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000822400200 607185374 /nfs/dbraw/zinc/18/53/74/607185374.db2.gz ZHGPHIVKQXHXIK-UHFFFAOYSA-N -2 3 358.383 0.997 20 0 FCADHL CSCC[C@@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000821960660 607206659 /nfs/dbraw/zinc/20/66/59/607206659.db2.gz CIXDEAOJOQFSED-LLVKDONJSA-N -2 3 371.444 0.492 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1noc2ccccc12)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450072 607776849 /nfs/dbraw/zinc/77/68/49/607776849.db2.gz WAZJLINWWKFQSQ-UHFFFAOYSA-N -2 3 373.354 0.596 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1noc2ccccc12)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450072 607776850 /nfs/dbraw/zinc/77/68/50/607776850.db2.gz WAZJLINWWKFQSQ-UHFFFAOYSA-N -2 3 373.354 0.596 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450520 607776989 /nfs/dbraw/zinc/77/69/89/607776989.db2.gz PTLQJRKLQZODMK-UHFFFAOYSA-N -2 3 352.763 0.967 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450520 607776990 /nfs/dbraw/zinc/77/69/90/607776990.db2.gz PTLQJRKLQZODMK-UHFFFAOYSA-N -2 3 352.763 0.967 20 0 FCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)CC1CCC1 ZINC000826417489 607860927 /nfs/dbraw/zinc/86/09/27/607860927.db2.gz SHJZWSLCWDRIJC-UHFFFAOYSA-N -2 3 351.388 0.492 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826147706 607924117 /nfs/dbraw/zinc/92/41/17/607924117.db2.gz IPTQAVKHMVPNTJ-UHFFFAOYSA-N -2 3 373.822 0.998 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826147706 607924118 /nfs/dbraw/zinc/92/41/18/607924118.db2.gz IPTQAVKHMVPNTJ-UHFFFAOYSA-N -2 3 373.822 0.998 20 0 FCADHL O=S(=O)([N-]C[C@H]1CCC[C@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490482 607937781 /nfs/dbraw/zinc/93/77/81/607937781.db2.gz XBRYBHYYGOVCGB-RDDDGLTNSA-N -2 3 359.358 0.584 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000826461158 608010883 /nfs/dbraw/zinc/01/08/83/608010883.db2.gz IOCPXBFXFHHJII-LURJTMIESA-N -2 3 359.314 0.240 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000826461158 608010884 /nfs/dbraw/zinc/01/08/84/608010884.db2.gz IOCPXBFXFHHJII-LURJTMIESA-N -2 3 359.314 0.240 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826461419 608011404 /nfs/dbraw/zinc/01/14/04/608011404.db2.gz UJDRZVHMGGTSMY-SNVBAGLBSA-N -2 3 351.388 0.742 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826461419 608011405 /nfs/dbraw/zinc/01/14/05/608011405.db2.gz UJDRZVHMGGTSMY-SNVBAGLBSA-N -2 3 351.388 0.742 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449660 608146469 /nfs/dbraw/zinc/14/64/69/608146469.db2.gz DGYVSDLIEIELIO-UHFFFAOYSA-N -2 3 350.335 0.594 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449660 608146470 /nfs/dbraw/zinc/14/64/70/608146470.db2.gz DGYVSDLIEIELIO-UHFFFAOYSA-N -2 3 350.335 0.594 20 0 FCADHL O=S(=O)([N-]c1ccc2nncn2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492940 609384352 /nfs/dbraw/zinc/38/43/52/609384352.db2.gz MIYFWSAGHAWVJK-UHFFFAOYSA-N -2 3 360.334 0.849 20 0 FCADHL O=S(=O)([N-]c1ccc2nncn2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492940 609384354 /nfs/dbraw/zinc/38/43/54/609384354.db2.gz MIYFWSAGHAWVJK-UHFFFAOYSA-N -2 3 360.334 0.849 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826155299 609386378 /nfs/dbraw/zinc/38/63/78/609386378.db2.gz LVEMAEPWWZQHAK-LLVKDONJSA-N -2 3 367.431 0.875 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826155299 609386380 /nfs/dbraw/zinc/38/63/80/609386380.db2.gz LVEMAEPWWZQHAK-LLVKDONJSA-N -2 3 367.431 0.875 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826155475 609386405 /nfs/dbraw/zinc/38/64/05/609386405.db2.gz RHIUGMSRENVWSI-LLVKDONJSA-N -2 3 367.431 0.875 20 0 FCADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826155475 609386409 /nfs/dbraw/zinc/38/64/09/609386409.db2.gz RHIUGMSRENVWSI-LLVKDONJSA-N -2 3 367.431 0.875 20 0 FCADHL O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000326367738 663418873 /nfs/dbraw/zinc/41/88/73/663418873.db2.gz UHKOHBCIKXUQNR-VIFPVBQESA-N -2 3 358.307 0.431 20 0 FCADHL O=C([O-])[C@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000326367738 663418874 /nfs/dbraw/zinc/41/88/74/663418874.db2.gz UHKOHBCIKXUQNR-VIFPVBQESA-N -2 3 358.307 0.431 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000912558895 666458695 /nfs/dbraw/zinc/45/86/95/666458695.db2.gz RLMJYIPPMPHBOL-JTQLQIEISA-N -2 3 361.420 0.920 20 0 FCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c(F)c1 ZINC000032080900 666548381 /nfs/dbraw/zinc/54/83/81/666548381.db2.gz YBIGEQSJUSTAPR-UHFFFAOYSA-N -2 3 352.347 0.802 20 0 FCADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(Cn3cccn3)o2)s1 ZINC000918136420 667104197 /nfs/dbraw/zinc/10/41/97/667104197.db2.gz TTYHBIOABYMTNF-UHFFFAOYSA-N -2 3 368.400 1.000 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)c2cncnc2)cc1F ZINC000761112684 667877631 /nfs/dbraw/zinc/87/76/31/667877631.db2.gz AJLGCIMMIBMWCC-UHFFFAOYSA-N -2 3 374.375 0.106 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C(=O)[O-])ccc1F ZINC000769749368 668151539 /nfs/dbraw/zinc/15/15/39/668151539.db2.gz NARODXXFUQDQTM-AWEZNQCLSA-N -2 3 362.379 0.078 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2n[nH]c(=O)[n-]2)ccc1F ZINC000774918892 668183940 /nfs/dbraw/zinc/18/39/40/668183940.db2.gz IXHBDVVRTSHEJR-UHFFFAOYSA-N -2 3 358.351 0.693 20 0 FCADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)[N-]OC1CCOCC1 ZINC000775248608 668207661 /nfs/dbraw/zinc/20/76/61/668207661.db2.gz SLEWSKDODPCJQJ-UHFFFAOYSA-N -2 3 354.837 0.907 20 0 FCADHL COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000776626991 668280544 /nfs/dbraw/zinc/28/05/44/668280544.db2.gz RLFBVYMXPGCFHL-ZETCQYMHSA-N -2 3 353.299 0.129 20 0 FCADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])n1 ZINC000776644190 668282647 /nfs/dbraw/zinc/28/26/47/668282647.db2.gz KXBPQFYOEAMCHU-SNVBAGLBSA-N -2 3 358.807 0.980 20 0 FCADHL CO[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784899735 668681296 /nfs/dbraw/zinc/68/12/96/668681296.db2.gz XOAYZCKNALSBSI-QMMMGPOBSA-N -2 3 368.408 0.427 20 0 FCADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000795350243 669028490 /nfs/dbraw/zinc/02/84/90/669028490.db2.gz BRZHPBXTGDRNJJ-SECBINFHSA-N -2 3 360.388 0.756 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C)nc1Cl ZINC000821247380 669171063 /nfs/dbraw/zinc/17/10/63/669171063.db2.gz GVCYREVVFADDLV-VXNVDRBHSA-N -2 3 353.828 0.602 20 0 FCADHL O=C(C=Cc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)Cc1ccon1 ZINC000822928779 669306926 /nfs/dbraw/zinc/30/69/26/669306926.db2.gz MOPNMBMYXUNHNX-SNAWJCMRSA-N -2 3 360.355 0.514 20 0 FCADHL O=C(C=Cc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)Cc1ccon1 ZINC000822928779 669306930 /nfs/dbraw/zinc/30/69/30/669306930.db2.gz MOPNMBMYXUNHNX-SNAWJCMRSA-N -2 3 360.355 0.514 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824867640 669422023 /nfs/dbraw/zinc/42/20/23/669422023.db2.gz PXUFIGNJAYUWBJ-GWCFXTLKSA-N -2 3 365.415 0.628 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824867640 669422026 /nfs/dbraw/zinc/42/20/26/669422026.db2.gz PXUFIGNJAYUWBJ-GWCFXTLKSA-N -2 3 365.415 0.628 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826152886 669485693 /nfs/dbraw/zinc/48/56/93/669485693.db2.gz RPQMKNDVLODZCE-UHFFFAOYSA-N -2 3 371.806 0.752 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826152886 669485696 /nfs/dbraw/zinc/48/56/96/669485696.db2.gz RPQMKNDVLODZCE-UHFFFAOYSA-N -2 3 371.806 0.752 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c(C)c1F ZINC000826211891 669487193 /nfs/dbraw/zinc/48/71/93/669487193.db2.gz YSQWRKUHIOTBGO-UHFFFAOYSA-N -2 3 367.366 0.857 20 0 FCADHL COCCO[N-]C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000810479153 669683192 /nfs/dbraw/zinc/68/31/92/669683192.db2.gz INWVZNOJAXCDPF-UHFFFAOYSA-N -2 3 357.215 0.966 20 0 FCADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837288760 670094505 /nfs/dbraw/zinc/09/45/05/670094505.db2.gz QBIPLIYBIAWBCX-GMSGAONNSA-N -2 3 363.779 0.769 20 0 FCADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN(CC(=O)[O-])C1CCOCC1 ZINC000844241181 670912517 /nfs/dbraw/zinc/91/25/17/670912517.db2.gz CSHGKEXEAMVPMK-UHFFFAOYSA-N -2 3 352.435 0.644 20 0 FCADHL CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c1 ZINC000848680704 671289988 /nfs/dbraw/zinc/28/99/88/671289988.db2.gz LQNWYQQNQFSWQP-SECBINFHSA-N -2 3 373.811 0.835 20 0 FCADHL Cn1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1=O ZINC000852734417 671520714 /nfs/dbraw/zinc/52/07/14/671520714.db2.gz AXRKZBUORURBCG-JQWIXIFHSA-N -2 3 361.320 0.481 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOC[C@@H]1CCCO1 ZINC000852737814 671522231 /nfs/dbraw/zinc/52/22/31/671522231.db2.gz VPPCCLCZKFOZMF-TUAOUCFPSA-N -2 3 368.352 0.778 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903706186 675962406 /nfs/dbraw/zinc/96/24/06/675962406.db2.gz DYYPMYCCLQPJNK-ROHXPCBUSA-N -2 3 366.336 0.386 20 0 FCADHL O=C([O-])[C@H]1C[C@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC000874427160 672783141 /nfs/dbraw/zinc/78/31/41/672783141.db2.gz MUXXCKLXLCHJJF-MGCOHNPYSA-N -2 3 351.325 0.950 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001022451182 1171114298 /nfs/dbraw/zinc/11/42/98/1171114298.db2.gz VFQHCXRBVVFOMT-NWDGAFQWSA-N -2 3 369.381 0.578 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088646417 1192770333 /nfs/dbraw/zinc/77/03/33/1192770333.db2.gz TYQHCNLYTCXNKU-SCZZXKLOSA-N -2 3 359.390 0.276 20 0 FCADHL O=C(c1cnc[n-]c1=O)N1CC[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@@H]21 ZINC000975676172 1184049410 /nfs/dbraw/zinc/04/94/10/1184049410.db2.gz JMHOPBVSJGFBEI-AAEUAGOBSA-N -2 3 369.381 0.660 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109484220 1200315792 /nfs/dbraw/zinc/31/57/92/1200315792.db2.gz LEPHMDZAGPYPNV-WXHSDQCUSA-N -2 3 373.417 0.169 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3ccc4oc(=O)nc-4[n-]3)C2)n1 ZINC001177888437 1206349705 /nfs/dbraw/zinc/34/97/05/1206349705.db2.gz DCEHTNVQUHJKML-VIFPVBQESA-N -2 3 356.342 0.741 20 0 FCADHL COc1ccc(C(N)=O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001185610283 1206483546 /nfs/dbraw/zinc/48/35/46/1206483546.db2.gz XOWCOTWVKYRTDF-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL COc1ccc(C(N)=O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001185610283 1206483548 /nfs/dbraw/zinc/48/35/48/1206483548.db2.gz XOWCOTWVKYRTDF-UHFFFAOYSA-N -2 3 374.382 0.775 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCN(CC(=O)[N-]OCc3ccccc3)CC2)n1 ZINC000886657019 1210834680 /nfs/dbraw/zinc/83/46/80/1210834680.db2.gz ZRNUWVMJOXOLQF-UHFFFAOYSA-N -2 3 357.414 0.861 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001002190025 1252463141 /nfs/dbraw/zinc/46/31/41/1252463141.db2.gz XBCGBPHIIZGUCJ-UTUOFQBUSA-N -2 3 369.381 0.767 20 0 FCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)c1ncccc1[O-] ZINC001002203979 1252469653 /nfs/dbraw/zinc/46/96/53/1252469653.db2.gz YOOSFFVTLJWRRH-JLLWLGSASA-N -2 3 355.354 0.458 20 0 FCADHL COC(=O)Cc1nc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])n[n-]1 ZINC001293875595 1262723678 /nfs/dbraw/zinc/72/36/78/1262723678.db2.gz VWLXRMJOHNOEBQ-UHFFFAOYSA-N -2 3 360.305 0.803 20 0 FCADHL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001580456226 1278330234 /nfs/dbraw/zinc/33/02/34/1278330234.db2.gz LTKVKAFQFJWSBL-YUMQZZPRSA-N -2 3 356.312 0.693 20 0 FCADHL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001580456226 1278330248 /nfs/dbraw/zinc/33/02/48/1278330248.db2.gz LTKVKAFQFJWSBL-YUMQZZPRSA-N -2 3 356.312 0.693 20 0 FCADHL O=C(c1c[n-]n2c1nccc2=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001566303870 1269629334 /nfs/dbraw/zinc/62/93/34/1269629334.db2.gz IHMGQWLSUXWART-UHFFFAOYSA-N -2 3 367.365 0.326 20 0 FCADHL CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574272814 1271148081 /nfs/dbraw/zinc/14/80/81/1271148081.db2.gz LCATYIRLXXIFAD-UHFFFAOYSA-N -2 3 374.409 0.001 20 0 FCADHL CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574272814 1271148083 /nfs/dbraw/zinc/14/80/83/1271148083.db2.gz LCATYIRLXXIFAD-UHFFFAOYSA-N -2 3 374.409 0.001 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574651259 1271449578 /nfs/dbraw/zinc/44/95/78/1271449578.db2.gz VQLJLODYRLHFOH-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574651259 1271449585 /nfs/dbraw/zinc/44/95/85/1271449585.db2.gz VQLJLODYRLHFOH-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](NC(=O)c1ccccc1[O-])[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575336484 1271951900 /nfs/dbraw/zinc/95/19/00/1271951900.db2.gz FKCAUCOQDJARRX-NXEZZACHSA-N -2 3 354.374 0.403 20 0 FCADHL C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001575355092 1271984002 /nfs/dbraw/zinc/98/40/02/1271984002.db2.gz DLPZKUGBUUJHOQ-IUCAKERBSA-N -2 3 371.357 0.953 20 0 FCADHL C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001575445023 1272116683 /nfs/dbraw/zinc/11/66/83/1272116683.db2.gz POOVFVPRDBKNGY-IUCAKERBSA-N -2 3 355.362 0.833 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575843244 1272514885 /nfs/dbraw/zinc/51/48/85/1272514885.db2.gz JOWCXLZXBGIYSG-MRXNPFEDSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575842935 1272516383 /nfs/dbraw/zinc/51/63/83/1272516383.db2.gz FPJHFIZHRNGHFY-INIZCTEOSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575842935 1272516388 /nfs/dbraw/zinc/51/63/88/1272516388.db2.gz FPJHFIZHRNGHFY-INIZCTEOSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576350436 1273174939 /nfs/dbraw/zinc/17/49/39/1273174939.db2.gz JCJIOMYQQKDXPB-GXSJLCMTSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576350436 1273174945 /nfs/dbraw/zinc/17/49/45/1273174945.db2.gz JCJIOMYQQKDXPB-GXSJLCMTSA-N -2 3 367.373 0.330 20 0 FCADHL C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([O-])cn1 ZINC001576367010 1273189177 /nfs/dbraw/zinc/18/91/77/1273189177.db2.gz WRGUZPILFGZHNP-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([O-])cn1 ZINC001576367010 1273189185 /nfs/dbraw/zinc/18/91/85/1273189185.db2.gz WRGUZPILFGZHNP-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576852467 1273802842 /nfs/dbraw/zinc/80/28/42/1273802842.db2.gz VEJSKMWWOXPXDS-SECBINFHSA-N -2 3 372.393 0.323 20 0 FCADHL CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576852467 1273802852 /nfs/dbraw/zinc/80/28/52/1273802852.db2.gz VEJSKMWWOXPXDS-SECBINFHSA-N -2 3 372.393 0.323 20 0 FCADHL CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576852473 1273803820 /nfs/dbraw/zinc/80/38/20/1273803820.db2.gz VEJSKMWWOXPXDS-VIFPVBQESA-N -2 3 372.393 0.323 20 0 FCADHL CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576852473 1273803830 /nfs/dbraw/zinc/80/38/30/1273803830.db2.gz VEJSKMWWOXPXDS-VIFPVBQESA-N -2 3 372.393 0.323 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(NCC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001580741818 1278848848 /nfs/dbraw/zinc/84/88/48/1278848848.db2.gz SEMCVNYWCGQQTG-VIFPVBQESA-N -2 3 369.389 0.686 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(NCC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001580741818 1278848859 /nfs/dbraw/zinc/84/88/59/1278848859.db2.gz SEMCVNYWCGQQTG-VIFPVBQESA-N -2 3 369.389 0.686 20 0 FCADHL CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001578246508 1275550632 /nfs/dbraw/zinc/55/06/32/1275550632.db2.gz SFYRAVBOQJBFOP-UHFFFAOYSA-N -2 3 371.357 0.893 20 0 FCADHL CCc1nc(NC[C@@H](C)NC(=O)c2ncccc2[O-])cc(-c2nnn[n-]2)n1 ZINC001578664871 1276116283 /nfs/dbraw/zinc/11/62/83/1276116283.db2.gz SITRHPVPOYIRGJ-SECBINFHSA-N -2 3 369.389 0.550 20 0 FCADHL CCc1nc(NC[C@@H](C)NC(=O)c2ncccc2[O-])cc(-c2nn[n-]n2)n1 ZINC001578664871 1276116287 /nfs/dbraw/zinc/11/62/87/1276116287.db2.gz SITRHPVPOYIRGJ-SECBINFHSA-N -2 3 369.389 0.550 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001578949266 1276492411 /nfs/dbraw/zinc/49/24/11/1276492411.db2.gz GFXMSPYMZWMWKI-LBPRGKRZSA-N -2 3 366.385 0.713 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001578949266 1276492415 /nfs/dbraw/zinc/49/24/15/1276492415.db2.gz GFXMSPYMZWMWKI-LBPRGKRZSA-N -2 3 366.385 0.713 20 0 FCADHL CN(C(=O)c1ncccc1[O-])C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001578950336 1276494181 /nfs/dbraw/zinc/49/41/81/1276494181.db2.gz WDNFSCAAGPQPKS-UHFFFAOYSA-N -2 3 367.373 0.472 20 0 FCADHL CN(C(=O)c1ncccc1[O-])C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001578950336 1276494186 /nfs/dbraw/zinc/49/41/86/1276494186.db2.gz WDNFSCAAGPQPKS-UHFFFAOYSA-N -2 3 367.373 0.472 20 0 FCADHL CN(C(=O)c1ncccc1[O-])C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001578949933 1276494250 /nfs/dbraw/zinc/49/42/50/1276494250.db2.gz NEPOQIDOKKODMD-UHFFFAOYSA-N -2 3 367.373 0.472 20 0 FCADHL CN(C(=O)c1ncccc1[O-])C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001578949933 1276494252 /nfs/dbraw/zinc/49/42/52/1276494252.db2.gz NEPOQIDOKKODMD-UHFFFAOYSA-N -2 3 367.373 0.472 20 0 FCADHL CN(CCN(C)c1ccc(-c2nnn[n-]2)cn1)C(=O)c1ncccc1[O-] ZINC001579146417 1276869619 /nfs/dbraw/zinc/86/96/19/1276869619.db2.gz UGOLQWTWPAIFCY-UHFFFAOYSA-N -2 3 354.374 0.571 20 0 FCADHL CN(CCN(C)c1ccnc(-c2nnn[n-]2)n1)C(=O)c1ccccc1[O-] ZINC001579150816 1276885792 /nfs/dbraw/zinc/88/57/92/1276885792.db2.gz JSPWEUPGPBHEDF-UHFFFAOYSA-N -2 3 354.374 0.571 20 0 FCADHL CN(c1cccc(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC001579276114 1277083892 /nfs/dbraw/zinc/08/38/92/1277083892.db2.gz OXABFIRFBSQTIJ-NSHDSACASA-N -2 3 355.362 0.041 20 0 FCADHL CN(c1cccc(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC001579276114 1277083894 /nfs/dbraw/zinc/08/38/94/1277083894.db2.gz OXABFIRFBSQTIJ-NSHDSACASA-N -2 3 355.362 0.041 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc(-c3nnn[n-]3)cs2)o1 ZINC001579486259 1277398468 /nfs/dbraw/zinc/39/84/68/1277398468.db2.gz QKAUFQHSMWNGEZ-UHFFFAOYSA-N -2 3 370.372 0.181 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)n1cccc1 ZINC001603448019 1287374447 /nfs/dbraw/zinc/37/44/47/1287374447.db2.gz CWMUBPBXDNKVHV-JTQLQIEISA-N -2 3 361.387 0.519 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)n1cccc1 ZINC001603448019 1287374450 /nfs/dbraw/zinc/37/44/50/1287374450.db2.gz CWMUBPBXDNKVHV-JTQLQIEISA-N -2 3 361.387 0.519 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1[O-] ZINC001581391770 1279823590 /nfs/dbraw/zinc/82/35/90/1279823590.db2.gz VYYHQBHHUMCIMH-RNFRBKRXSA-N -2 3 358.366 0.013 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1[O-] ZINC001581391770 1279823596 /nfs/dbraw/zinc/82/35/96/1279823596.db2.gz VYYHQBHHUMCIMH-RNFRBKRXSA-N -2 3 358.366 0.013 20 0 FCADHL Cc1n[nH]c(C(=O)NCCN(C)c2ncc(-c3nn[n-]n3)cc2F)c1[O-] ZINC001581391982 1279824243 /nfs/dbraw/zinc/82/42/43/1279824243.db2.gz RBGMRFFJTDHIRE-UHFFFAOYSA-N -2 3 361.341 0.004 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1[O-] ZINC001581392201 1279826433 /nfs/dbraw/zinc/82/64/33/1279826433.db2.gz ZSAHJWSPSGYXCA-SSDOTTSWSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1[O-] ZINC001581392201 1279826442 /nfs/dbraw/zinc/82/64/42/1279826442.db2.gz ZSAHJWSPSGYXCA-SSDOTTSWSA-N -2 3 358.366 0.014 20 0 FCADHL C[C@H](CCO)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001603495627 1287391855 /nfs/dbraw/zinc/39/18/55/1287391855.db2.gz RQRBHHUBYIUKMH-QMMMGPOBSA-N -2 3 361.374 0.832 20 0 FCADHL CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001603496081 1287391949 /nfs/dbraw/zinc/39/19/49/1287391949.db2.gz HYMILGBHSHEKJJ-SCZZXKLOSA-N -2 3 359.404 0.897 20 0 FCADHL C[C@](O)(CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)[O-] ZINC001603690616 1287471900 /nfs/dbraw/zinc/47/19/00/1287471900.db2.gz NBOQQYJZGRILTP-ZDUSSCGKSA-N -2 3 372.288 0.425 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001603751819 1287487686 /nfs/dbraw/zinc/48/76/86/1287487686.db2.gz NZXQWCGIWFGKHR-ZDUSSCGKSA-N -2 3 355.351 0.491 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001603751819 1287487688 /nfs/dbraw/zinc/48/76/88/1287487688.db2.gz NZXQWCGIWFGKHR-ZDUSSCGKSA-N -2 3 355.351 0.491 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603751133 1287487707 /nfs/dbraw/zinc/48/77/07/1287487707.db2.gz ALDGLHQPCPSDSX-BXUZGUMPSA-N -2 3 369.378 0.928 20 0 FCADHL O=C(NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ncccc1[O-] ZINC001582398609 1281461632 /nfs/dbraw/zinc/46/16/32/1281461632.db2.gz QBJFHSQAPBTACY-UHFFFAOYSA-N -2 3 353.346 0.132 20 0 FCADHL O=C(NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ncccc1[O-] ZINC001582398609 1281461633 /nfs/dbraw/zinc/46/16/33/1281461633.db2.gz QBJFHSQAPBTACY-UHFFFAOYSA-N -2 3 353.346 0.132 20 0 FCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603829724 1287509169 /nfs/dbraw/zinc/50/91/69/1287509169.db2.gz BCJAJJVPEWMYJN-APPZFPTMSA-N -2 3 355.351 0.490 20 0 FCADHL O=C(N[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1)c1ccccc1[O-] ZINC001582589365 1281779455 /nfs/dbraw/zinc/77/94/55/1281779455.db2.gz DMZGHVOMSMZWMS-NSHDSACASA-N -2 3 366.385 0.761 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ccc1F ZINC001603904551 1287529018 /nfs/dbraw/zinc/52/90/18/1287529018.db2.gz BALJHGYSGYMBOY-YABSGUDNSA-N -2 3 370.402 0.915 20 0 FCADHL O=c1cc(CN[C@@H](c2ncccn2)C2CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814807 1282036598 /nfs/dbraw/zinc/03/65/98/1282036598.db2.gz SREPIJABLIMNMC-CYBMUJFWSA-N -2 3 364.373 0.646 20 0 FCADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001604005831 1287552131 /nfs/dbraw/zinc/55/21/31/1287552131.db2.gz AMSKWXDOJNBKJH-QMMMGPOBSA-N -2 3 354.392 0.444 20 0 FCADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001604005831 1287552134 /nfs/dbraw/zinc/55/21/34/1287552134.db2.gz AMSKWXDOJNBKJH-QMMMGPOBSA-N -2 3 354.392 0.444 20 0 FCADHL CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(-c3nn[n-]n3)cc2OC)C1=O ZINC001604084637 1287568535 /nfs/dbraw/zinc/56/85/35/1287568535.db2.gz SHZBDDJWECNGNN-HNNXBMFYSA-N -2 3 359.346 0.241 20 0 FCADHL C[C@@H](CC(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001604094671 1287569988 /nfs/dbraw/zinc/56/99/88/1287569988.db2.gz FOIVMVSEABGQAJ-QMMMGPOBSA-N -2 3 350.343 0.470 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccn2)s1 ZINC001588886876 1282723099 /nfs/dbraw/zinc/72/30/99/1282723099.db2.gz MFUHUIJHILIHIX-UHFFFAOYSA-N -2 3 366.388 0.477 20 0 FCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccn2)s1 ZINC001588886876 1282723107 /nfs/dbraw/zinc/72/31/07/1282723107.db2.gz MFUHUIJHILIHIX-UHFFFAOYSA-N -2 3 366.388 0.477 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001589003179 1282763824 /nfs/dbraw/zinc/76/38/24/1282763824.db2.gz ROLIEEZDCJWWMR-SECBINFHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001589003179 1282763837 /nfs/dbraw/zinc/76/38/37/1282763837.db2.gz ROLIEEZDCJWWMR-SECBINFHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001589025172 1282775189 /nfs/dbraw/zinc/77/51/89/1282775189.db2.gz MOLWMBCPXMKFMS-SSDOTTSWSA-N -2 3 371.806 0.861 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001589025172 1282775193 /nfs/dbraw/zinc/77/51/93/1282775193.db2.gz MOLWMBCPXMKFMS-SSDOTTSWSA-N -2 3 371.806 0.861 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001589025144 1282775226 /nfs/dbraw/zinc/77/52/26/1282775226.db2.gz LSTQUHDJGQSHOJ-ZCFIWIBFSA-N -2 3 373.341 0.486 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001589025144 1282775230 /nfs/dbraw/zinc/77/52/30/1282775230.db2.gz LSTQUHDJGQSHOJ-ZCFIWIBFSA-N -2 3 373.341 0.486 20 0 FCADHL CC(C)(C(=O)[N-]S(=O)(=O)CC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC001589054906 1282787129 /nfs/dbraw/zinc/78/71/29/1282787129.db2.gz WUNZOJPLOHWRCF-UHFFFAOYSA-N -2 3 359.358 0.855 20 0 FCADHL CC(C)(C(=O)[N-]S(=O)(=O)CC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC001589054906 1282787136 /nfs/dbraw/zinc/78/71/36/1282787136.db2.gz WUNZOJPLOHWRCF-UHFFFAOYSA-N -2 3 359.358 0.855 20 0 FCADHL CC(C)(CCNC(=O)NCCNc1ncccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589276569 1282826428 /nfs/dbraw/zinc/82/64/28/1282826428.db2.gz SRBZYNOPMFVMKP-UHFFFAOYSA-N -2 3 362.394 0.474 20 0 FCADHL CC(C)(CCNC(=O)NCCNc1ncccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589276569 1282826437 /nfs/dbraw/zinc/82/64/37/1282826437.db2.gz SRBZYNOPMFVMKP-UHFFFAOYSA-N -2 3 362.394 0.474 20 0 FCADHL CC(C)(CNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589287627 1282831998 /nfs/dbraw/zinc/83/19/98/1282831998.db2.gz KYPARARAZXYUDZ-UHFFFAOYSA-N -2 3 357.367 0.536 20 0 FCADHL CC(C)(CNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589287627 1282832005 /nfs/dbraw/zinc/83/20/05/1282832005.db2.gz KYPARARAZXYUDZ-UHFFFAOYSA-N -2 3 357.367 0.536 20 0 FCADHL CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001589417874 1282875885 /nfs/dbraw/zinc/87/58/85/1282875885.db2.gz HPNOJFFYTVZAOV-ZDUSSCGKSA-N -2 3 359.390 0.267 20 0 FCADHL CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001589417874 1282875893 /nfs/dbraw/zinc/87/58/93/1282875893.db2.gz HPNOJFFYTVZAOV-ZDUSSCGKSA-N -2 3 359.390 0.267 20 0 FCADHL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001589418612 1282876282 /nfs/dbraw/zinc/87/62/82/1282876282.db2.gz UODYSFPZHCLHOV-NSHDSACASA-N -3 3 367.387 0.170 20 0 FCADHL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001589418612 1282876301 /nfs/dbraw/zinc/87/63/01/1282876301.db2.gz UODYSFPZHCLHOV-NSHDSACASA-N -3 3 367.387 0.170 20 0 FCADHL C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001604305685 1287603078 /nfs/dbraw/zinc/60/30/78/1287603078.db2.gz HMRXJJXROIQRRC-IQIPOGNMSA-N -2 3 351.359 0.499 20 0 FCADHL CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589673138 1282936659 /nfs/dbraw/zinc/93/66/59/1282936659.db2.gz VPDNDBBYDBIXSG-MRVPVSSYSA-N -2 3 357.367 0.878 20 0 FCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001589678461 1282941242 /nfs/dbraw/zinc/94/12/42/1282941242.db2.gz HBWKUYGIAVAPSK-UHFFFAOYSA-N -2 3 367.435 0.248 20 0 FCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001589678461 1282941253 /nfs/dbraw/zinc/94/12/53/1282941253.db2.gz HBWKUYGIAVAPSK-UHFFFAOYSA-N -2 3 367.435 0.248 20 0 FCADHL CC(C)N(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001589682731 1282945021 /nfs/dbraw/zinc/94/50/21/1282945021.db2.gz YRZDCQPLVIUVIY-UHFFFAOYSA-N -2 3 357.367 0.880 20 0 FCADHL CC(C)N(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001589682731 1282945030 /nfs/dbraw/zinc/94/50/30/1282945030.db2.gz YRZDCQPLVIUVIY-UHFFFAOYSA-N -2 3 357.367 0.880 20 0 FCADHL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC001589762951 1282986921 /nfs/dbraw/zinc/98/69/21/1282986921.db2.gz LKVGDMFAZAQBAC-SNVBAGLBSA-N -2 3 366.765 0.684 20 0 FCADHL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC001589762951 1282986930 /nfs/dbraw/zinc/98/69/30/1282986930.db2.gz LKVGDMFAZAQBAC-SNVBAGLBSA-N -2 3 366.765 0.684 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001589792621 1283009322 /nfs/dbraw/zinc/00/93/22/1283009322.db2.gz HCPJXHUAXDANHH-CABZTGNLSA-N -2 3 366.403 0.272 20 0 FCADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001589792621 1283009333 /nfs/dbraw/zinc/00/93/33/1283009333.db2.gz HCPJXHUAXDANHH-CABZTGNLSA-N -2 3 366.403 0.272 20 0 FCADHL C[C@H](CNC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)C(=O)[O-] ZINC001589857633 1283092011 /nfs/dbraw/zinc/09/20/11/1283092011.db2.gz FIQUDMZQZUWKLF-GFCCVEGCSA-N -2 3 373.417 0.415 20 0 FCADHL C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589933041 1283138289 /nfs/dbraw/zinc/13/82/89/1283138289.db2.gz YAKLMKRIVHULNY-MNRXQERYSA-N -2 3 372.385 0.670 20 0 FCADHL C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589933041 1283138293 /nfs/dbraw/zinc/13/82/93/1283138293.db2.gz YAKLMKRIVHULNY-MNRXQERYSA-N -2 3 372.385 0.670 20 0 FCADHL C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)C(=O)[O-] ZINC001589973971 1283150987 /nfs/dbraw/zinc/15/09/87/1283150987.db2.gz KTFRCFUPLBXYJR-HTQZYQBOSA-N -2 3 357.367 0.534 20 0 FCADHL C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)C(=O)[O-] ZINC001589973971 1283150989 /nfs/dbraw/zinc/15/09/89/1283150989.db2.gz KTFRCFUPLBXYJR-HTQZYQBOSA-N -2 3 357.367 0.534 20 0 FCADHL C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001589983397 1283155644 /nfs/dbraw/zinc/15/56/44/1283155644.db2.gz QGZVCLYDZKTQCD-DTWKUNHWSA-N -2 3 355.362 0.833 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCCO1 ZINC001590068597 1283198624 /nfs/dbraw/zinc/19/86/24/1283198624.db2.gz MCBKGDYVYSENJQ-HNNXBMFYSA-N -2 3 365.415 0.772 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCCO1 ZINC001590068597 1283198628 /nfs/dbraw/zinc/19/86/28/1283198628.db2.gz MCBKGDYVYSENJQ-HNNXBMFYSA-N -2 3 365.415 0.772 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC001590069153 1283199525 /nfs/dbraw/zinc/19/95/25/1283199525.db2.gz UVMKRPOBLZJSAU-CQSZACIVSA-N -2 3 351.388 0.239 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001590069153 1283199528 /nfs/dbraw/zinc/19/95/28/1283199528.db2.gz UVMKRPOBLZJSAU-CQSZACIVSA-N -2 3 351.388 0.239 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001590107049 1283219212 /nfs/dbraw/zinc/21/92/12/1283219212.db2.gz QASOIQIXWULOJY-SNVBAGLBSA-N -2 3 355.351 0.490 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001590107049 1283219221 /nfs/dbraw/zinc/21/92/21/1283219221.db2.gz QASOIQIXWULOJY-SNVBAGLBSA-N -2 3 355.351 0.490 20 0 FCADHL CC1(C)OC[C@H]2C[C@]21C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590118082 1283226099 /nfs/dbraw/zinc/22/60/99/1283226099.db2.gz KMLDMYMMGNQONB-MEBBXXQBSA-N -2 3 363.399 0.487 20 0 FCADHL CC1(C)OC[C@H]2C[C@]21C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590118082 1283226107 /nfs/dbraw/zinc/22/61/07/1283226107.db2.gz KMLDMYMMGNQONB-MEBBXXQBSA-N -2 3 363.399 0.487 20 0 FCADHL CC1(OCC(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCC1 ZINC001590151460 1283248820 /nfs/dbraw/zinc/24/88/20/1283248820.db2.gz CZCMWANCSRFUNP-UHFFFAOYSA-N -2 3 351.388 0.631 20 0 FCADHL CC1(OCC(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCC1 ZINC001590151460 1283248826 /nfs/dbraw/zinc/24/88/26/1283248826.db2.gz CZCMWANCSRFUNP-UHFFFAOYSA-N -2 3 351.388 0.631 20 0 FCADHL C[C@@]12CCC(=O)N1[C@@H](C(=O)[N-]Oc1cccc(-c3nnn[n-]3)c1)CS2 ZINC001590155783 1283251190 /nfs/dbraw/zinc/25/11/90/1283251190.db2.gz LFMUPSMFXUUCKO-IAQYHMDHSA-N -2 3 360.399 0.731 20 0 FCADHL C[C@@]12CCC(=O)N1[C@@H](C(=O)[N-]Oc1cccc(-c3nn[n-]n3)c1)CS2 ZINC001590155783 1283251194 /nfs/dbraw/zinc/25/11/94/1283251194.db2.gz LFMUPSMFXUUCKO-IAQYHMDHSA-N -2 3 360.399 0.731 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H](C)O1 ZINC001590183268 1283288570 /nfs/dbraw/zinc/28/85/70/1283288570.db2.gz GHQIUAUZIDLILR-LNLATYFQSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](C)O1 ZINC001590183268 1283288578 /nfs/dbraw/zinc/28/85/78/1283288578.db2.gz GHQIUAUZIDLILR-LNLATYFQSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590226076 1283357217 /nfs/dbraw/zinc/35/72/17/1283357217.db2.gz JZXAFWWVUSIICR-MWLCHTKSSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590226076 1283357224 /nfs/dbraw/zinc/35/72/24/1283357224.db2.gz JZXAFWWVUSIICR-MWLCHTKSSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590246531 1283376982 /nfs/dbraw/zinc/37/69/82/1283376982.db2.gz CRELNWFCINTLNE-RTHLEPHNSA-N -2 3 373.385 0.974 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1C(=O)[O-] ZINC001590261282 1283385628 /nfs/dbraw/zinc/38/56/28/1283385628.db2.gz LYGNIFZLVQXQHE-SKDRFNHKSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1C(=O)[O-] ZINC001590261282 1283385634 /nfs/dbraw/zinc/38/56/34/1283385634.db2.gz LYGNIFZLVQXQHE-SKDRFNHKSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@@H](C(=O)[O-])C1 ZINC001590275644 1283403718 /nfs/dbraw/zinc/40/37/18/1283403718.db2.gz FHHZHFSYQLVCRC-GZMMTYOYSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@@H](C(=O)[O-])C1 ZINC001590275644 1283403725 /nfs/dbraw/zinc/40/37/25/1283403725.db2.gz FHHZHFSYQLVCRC-GZMMTYOYSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@@H](C(=O)[O-])C1 ZINC001590277333 1283404754 /nfs/dbraw/zinc/40/47/54/1283404754.db2.gz VNKBWJQCZNPZHE-QPUJVOFHSA-N -2 3 369.378 0.880 20 0 FCADHL CC[C@@](C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1)C(=O)[O-] ZINC001590383091 1283512672 /nfs/dbraw/zinc/51/26/72/1283512672.db2.gz ZHBQMIFFTMUENJ-AWEZNQCLSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@@](C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1)C(=O)[O-] ZINC001590383091 1283512680 /nfs/dbraw/zinc/51/26/80/1283512680.db2.gz ZHBQMIFFTMUENJ-AWEZNQCLSA-N -2 3 353.404 0.954 20 0 FCADHL CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001590436692 1283535718 /nfs/dbraw/zinc/53/57/18/1283535718.db2.gz ZKLPDMRPWXPDSZ-SECBINFHSA-N -2 3 357.367 0.928 20 0 FCADHL CC[C@@H](CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)CC(=O)[O-] ZINC001590447197 1283543774 /nfs/dbraw/zinc/54/37/74/1283543774.db2.gz STIWOUNZYJVMQW-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL CCC[C@H](O)[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC001590561082 1283605106 /nfs/dbraw/zinc/60/51/06/1283605106.db2.gz VCKMXLKJVWFTGJ-JOYOIKCWSA-N -2 3 369.403 0.068 20 0 FCADHL CCC[C@H](O)[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC001590561082 1283605123 /nfs/dbraw/zinc/60/51/23/1283605123.db2.gz VCKMXLKJVWFTGJ-JOYOIKCWSA-N -2 3 369.403 0.068 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c(C)o1 ZINC001604549700 1287656180 /nfs/dbraw/zinc/65/61/80/1287656180.db2.gz SXJQYXPRYKEJLY-UHFFFAOYSA-N -2 3 363.359 0.239 20 0 FCADHL CCc1nc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c(C)o1 ZINC001604549700 1287656189 /nfs/dbraw/zinc/65/61/89/1287656189.db2.gz SXJQYXPRYKEJLY-UHFFFAOYSA-N -2 3 363.359 0.239 20 0 FCADHL CC1(C)COc2c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cnn2C1 ZINC001604552318 1287656696 /nfs/dbraw/zinc/65/66/96/1287656696.db2.gz DXHKDVNUMAXBTD-SSDOTTSWSA-N -2 3 371.337 0.986 20 0 FCADHL CCCSCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590650514 1283704474 /nfs/dbraw/zinc/70/44/74/1283704474.db2.gz PKDZKJYEFVWMNW-UHFFFAOYSA-N -2 3 371.444 0.823 20 0 FCADHL CCCSCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590650514 1283704479 /nfs/dbraw/zinc/70/44/79/1283704479.db2.gz PKDZKJYEFVWMNW-UHFFFAOYSA-N -2 3 371.444 0.823 20 0 FCADHL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001590680698 1283729195 /nfs/dbraw/zinc/72/91/95/1283729195.db2.gz IARXDQPQLCIEQT-SECBINFHSA-N -2 3 371.394 0.878 20 0 FCADHL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001590680698 1283729199 /nfs/dbraw/zinc/72/91/99/1283729199.db2.gz IARXDQPQLCIEQT-SECBINFHSA-N -2 3 371.394 0.878 20 0 FCADHL CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590790318 1283847177 /nfs/dbraw/zinc/84/71/77/1283847177.db2.gz KVCBOUYYQYECBV-NEPJUHHUSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590790318 1283847184 /nfs/dbraw/zinc/84/71/84/1283847184.db2.gz KVCBOUYYQYECBV-NEPJUHHUSA-N -2 3 351.388 0.238 20 0 FCADHL CCc1cc(=O)n2nc(NC(=O)c3ncc(-c4nnn[n-]4)cc3C)[n-]c2n1 ZINC001590877816 1283943385 /nfs/dbraw/zinc/94/33/85/1283943385.db2.gz DSQXOLNUNCWCDT-UHFFFAOYSA-N -2 3 366.345 0.116 20 0 FCADHL CCc1cc(=O)n2nc(NC(=O)c3ncc(-c4nn[n-]n4)cc3C)[n-]c2n1 ZINC001590877816 1283943391 /nfs/dbraw/zinc/94/33/91/1283943391.db2.gz DSQXOLNUNCWCDT-UHFFFAOYSA-N -2 3 366.345 0.116 20 0 FCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590928955 1283978900 /nfs/dbraw/zinc/97/89/00/1283978900.db2.gz WLYYCYPCKCKPLD-UHFFFAOYSA-N -2 3 361.387 0.281 20 0 FCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590928955 1283978911 /nfs/dbraw/zinc/97/89/11/1283978911.db2.gz WLYYCYPCKCKPLD-UHFFFAOYSA-N -2 3 361.387 0.281 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC001590966222 1284024249 /nfs/dbraw/zinc/02/42/49/1284024249.db2.gz XXMCVFLSIRKPGP-UHFFFAOYSA-N -2 3 351.396 0.661 20 0 FCADHL CCn1nccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590969899 1284028792 /nfs/dbraw/zinc/02/87/92/1284028792.db2.gz YVLRZBZLEOENSQ-UHFFFAOYSA-N -2 3 361.387 0.343 20 0 FCADHL CCn1nccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590969899 1284028802 /nfs/dbraw/zinc/02/88/02/1284028802.db2.gz YVLRZBZLEOENSQ-UHFFFAOYSA-N -2 3 361.387 0.343 20 0 FCADHL CN(C)C(=O)Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cn1 ZINC001591003606 1284065389 /nfs/dbraw/zinc/06/53/89/1284065389.db2.gz GQHGQCXAWOPMQN-UHFFFAOYSA-N -2 3 356.346 0.109 20 0 FCADHL CN(C)C(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cn1 ZINC001591004900 1284066989 /nfs/dbraw/zinc/06/69/89/1284066989.db2.gz RKMCBCZRHSFSTD-UHFFFAOYSA-N -2 3 353.342 0.921 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC001591027467 1284087240 /nfs/dbraw/zinc/08/72/40/1284087240.db2.gz JHRTVUZSDZNUCD-UHFFFAOYSA-N -2 3 373.398 0.446 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC001591027467 1284087251 /nfs/dbraw/zinc/08/72/51/1284087251.db2.gz JHRTVUZSDZNUCD-UHFFFAOYSA-N -2 3 373.398 0.446 20 0 FCADHL CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001591042589 1284102566 /nfs/dbraw/zinc/10/25/66/1284102566.db2.gz LZWGOQGTTJQQSL-UHFFFAOYSA-N -2 3 357.367 0.737 20 0 FCADHL CN(CCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)c1ncccc1[O-] ZINC001591083489 1284153948 /nfs/dbraw/zinc/15/39/48/1284153948.db2.gz UWEWSLYGHLDYNK-UHFFFAOYSA-N -2 3 354.374 0.937 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC001604618591 1287692225 /nfs/dbraw/zinc/69/22/25/1287692225.db2.gz YFLUFGWIARNAFL-UHFFFAOYSA-N -2 3 357.787 0.271 20 0 FCADHL COC(=O)[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@@H](C(=O)[O-])C1 ZINC001591252556 1284408375 /nfs/dbraw/zinc/40/83/75/1284408375.db2.gz LMGSJUIAXWYDKH-CMPLNLGQSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC001591284217 1284443556 /nfs/dbraw/zinc/44/35/56/1284443556.db2.gz GBDCDVKIEXLXIT-UHFFFAOYSA-N -2 3 367.347 0.387 20 0 FCADHL CN(C(=O)c1ccccc1[O-])[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001604659987 1287713294 /nfs/dbraw/zinc/71/32/94/1287713294.db2.gz STKAZCHDMFVAPW-NSHDSACASA-N -2 3 366.385 0.713 20 0 FCADHL COC(C)(C)CS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001591315043 1284464496 /nfs/dbraw/zinc/46/44/96/1284464496.db2.gz WAVUGFYYYSZEFI-UHFFFAOYSA-N -2 3 357.440 0.985 20 0 FCADHL CO[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001591347341 1284484119 /nfs/dbraw/zinc/48/41/19/1284484119.db2.gz FBCBARDONSHRQX-OLZOCXBDSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001591347341 1284484122 /nfs/dbraw/zinc/48/41/22/1284484122.db2.gz FBCBARDONSHRQX-OLZOCXBDSA-N -2 3 365.415 0.628 20 0 FCADHL COCCCCS(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001591413104 1284562093 /nfs/dbraw/zinc/56/20/93/1284562093.db2.gz GRLWUASVVSTBFE-UHFFFAOYSA-N -2 3 369.403 0.118 20 0 FCADHL COCc1ccccc1CS(=O)(=O)[N-]c1n[nH]c(C)c1-c1nnn[n-]1 ZINC001591459964 1284623450 /nfs/dbraw/zinc/62/34/50/1284623450.db2.gz XQCOZKZNOMDXMU-UHFFFAOYSA-N -2 3 363.403 0.987 20 0 FCADHL COCc1ccccc1CS(=O)(=O)[N-]c1n[nH]c(C)c1-c1nn[n-]n1 ZINC001591459964 1284623464 /nfs/dbraw/zinc/62/34/64/1284623464.db2.gz XQCOZKZNOMDXMU-UHFFFAOYSA-N -2 3 363.403 0.987 20 0 FCADHL COCc1ccccc1CS(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC001591459952 1284623910 /nfs/dbraw/zinc/62/39/10/1284623910.db2.gz XLAUXUUEFGWZNB-UHFFFAOYSA-N -2 3 363.403 0.689 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001591497403 1284675698 /nfs/dbraw/zinc/67/56/98/1284675698.db2.gz XQTMFXLUVOYVFM-UHFFFAOYSA-N -2 3 361.358 0.577 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001591497403 1284675715 /nfs/dbraw/zinc/67/57/15/1284675715.db2.gz XQTMFXLUVOYVFM-UHFFFAOYSA-N -2 3 361.358 0.577 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)ccn1 ZINC001591515631 1284706232 /nfs/dbraw/zinc/70/62/32/1284706232.db2.gz AOQBXJGXSWRKGX-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)ccn1 ZINC001591515631 1284706241 /nfs/dbraw/zinc/70/62/41/1284706241.db2.gz AOQBXJGXSWRKGX-UHFFFAOYSA-N -2 3 374.382 0.697 20 0 FCADHL COc1cc(CNC(=O)CSc2n[nH]c(=O)[n-]2)ccc1-c1nnn[n-]1 ZINC001591529163 1284717092 /nfs/dbraw/zinc/71/70/92/1284717092.db2.gz IFAWTSIHUCTTJD-UHFFFAOYSA-N -2 3 362.375 0.108 20 0 FCADHL COc1cc(CNC(=O)CSc2n[nH]c(=O)[n-]2)ccc1-c1nn[n-]n1 ZINC001591529163 1284717097 /nfs/dbraw/zinc/71/70/97/1284717097.db2.gz IFAWTSIHUCTTJD-UHFFFAOYSA-N -2 3 362.375 0.108 20 0 FCADHL COc1cc(OC)nc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC001591552651 1284729518 /nfs/dbraw/zinc/72/95/18/1284729518.db2.gz RIFLEPFUCZANTH-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL COc1cc(OC)nc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001591552651 1284729527 /nfs/dbraw/zinc/72/95/27/1284729527.db2.gz RIFLEPFUCZANTH-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001591676623 1284813293 /nfs/dbraw/zinc/81/32/93/1284813293.db2.gz GNZFCNYSBOLOCN-LBPRGKRZSA-N -2 3 366.403 0.091 20 0 FCADHL CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001591676623 1284813297 /nfs/dbraw/zinc/81/32/97/1284813297.db2.gz GNZFCNYSBOLOCN-LBPRGKRZSA-N -2 3 366.403 0.091 20 0 FCADHL CSCCN(CC(=O)[O-])S(=O)(=O)c1c(C)cccc1-c1nnn[n-]1 ZINC001591700477 1284840135 /nfs/dbraw/zinc/84/01/35/1284840135.db2.gz XNXXPCYLFMDXBA-UHFFFAOYSA-N -2 3 371.444 0.613 20 0 FCADHL CSCCN(CC(=O)[O-])S(=O)(=O)c1c(C)cccc1-c1nn[n-]n1 ZINC001591700477 1284840145 /nfs/dbraw/zinc/84/01/45/1284840145.db2.gz XNXXPCYLFMDXBA-UHFFFAOYSA-N -2 3 371.444 0.613 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cc(C)c1CS(=O)(=O)N1CC[C@H]1C(=O)[O-] ZINC001591852718 1284951788 /nfs/dbraw/zinc/95/17/88/1284951788.db2.gz UJXQGNNHCYDWGX-LBPRGKRZSA-N -2 3 351.388 0.472 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1 ZINC001591870195 1284957195 /nfs/dbraw/zinc/95/71/95/1284957195.db2.gz HNIQRBUABJZWNM-SECBINFHSA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1 ZINC001591870195 1284957199 /nfs/dbraw/zinc/95/71/99/1284957199.db2.gz HNIQRBUABJZWNM-SECBINFHSA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC001591875469 1284964482 /nfs/dbraw/zinc/96/44/82/1284964482.db2.gz AXXQOZUHFDJYAR-UHFFFAOYSA-N -2 3 350.404 0.962 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC001591875469 1284964487 /nfs/dbraw/zinc/96/44/87/1284964487.db2.gz AXXQOZUHFDJYAR-UHFFFAOYSA-N -2 3 350.404 0.962 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C ZINC001592109729 1285146826 /nfs/dbraw/zinc/14/68/26/1285146826.db2.gz ZNGNORQAJQXDQV-NSHDSACASA-N -3 3 367.387 0.337 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C ZINC001592109729 1285146834 /nfs/dbraw/zinc/14/68/34/1285146834.db2.gz ZNGNORQAJQXDQV-NSHDSACASA-N -3 3 367.387 0.337 20 0 FCADHL Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c1 ZINC001592191179 1285175016 /nfs/dbraw/zinc/17/50/16/1285175016.db2.gz GIOAGAYORVODBD-GHMZBOCLSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(-c2nn[n-]n2)c1 ZINC001592191179 1285175021 /nfs/dbraw/zinc/17/50/21/1285175021.db2.gz GIOAGAYORVODBD-GHMZBOCLSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c(-c2nnn[n-]2)c1 ZINC001592191202 1285175392 /nfs/dbraw/zinc/17/53/92/1285175392.db2.gz GIOAGAYORVODBD-WDEREUQCSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c(-c2nn[n-]n2)c1 ZINC001592191202 1285175395 /nfs/dbraw/zinc/17/53/95/1285175395.db2.gz GIOAGAYORVODBD-WDEREUQCSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1cccc(S(=O)(=O)NCC(C)(C)CC(=O)[O-])c1-c1nnn[n-]1 ZINC001592239970 1285195263 /nfs/dbraw/zinc/19/52/63/1285195263.db2.gz SRGYVWKMSGWMQQ-UHFFFAOYSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cccc(S(=O)(=O)NCC(C)(C)CC(=O)[O-])c1-c1nn[n-]n1 ZINC001592239970 1285195269 /nfs/dbraw/zinc/19/52/69/1285195269.db2.gz SRGYVWKMSGWMQQ-UHFFFAOYSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cccc(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)c1-c1nnn[n-]1 ZINC001592240227 1285195788 /nfs/dbraw/zinc/19/57/88/1285195788.db2.gz YPJQCZZNYLXUEN-IUCAKERBSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)c1-c1nn[n-]n1 ZINC001592240227 1285195791 /nfs/dbraw/zinc/19/57/91/1285195791.db2.gz YPJQCZZNYLXUEN-IUCAKERBSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cn2n1 ZINC001592404420 1285313667 /nfs/dbraw/zinc/31/36/67/1285313667.db2.gz HOIRXRPJMFOOPD-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1ncc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)cc1-c1nnn[n-]1 ZINC001592413899 1285332226 /nfs/dbraw/zinc/33/22/26/1285332226.db2.gz OTBSBWOEYJGRBN-UHFFFAOYSA-N -2 3 352.376 0.246 20 0 FCADHL Cc1ncc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)cc1-c1nn[n-]n1 ZINC001592413899 1285332238 /nfs/dbraw/zinc/33/22/38/1285332238.db2.gz OTBSBWOEYJGRBN-UHFFFAOYSA-N -2 3 352.376 0.246 20 0 FCADHL Cc1nnsc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001592454131 1285390609 /nfs/dbraw/zinc/39/06/09/1285390609.db2.gz LMDMINJLMSHLIC-UHFFFAOYSA-N -2 3 373.370 0.783 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)C1Cc2ccccc2C1 ZINC001592561528 1285473760 /nfs/dbraw/zinc/47/37/60/1285473760.db2.gz HQMJFFRNJNFXRF-UHFFFAOYSA-N -2 3 372.410 0.432 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)C1Cc2ccccc2C1 ZINC001592561528 1285473767 /nfs/dbraw/zinc/47/37/67/1285473767.db2.gz HQMJFFRNJNFXRF-UHFFFAOYSA-N -2 3 372.410 0.432 20 0 FCADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nn1 ZINC001592575195 1285492545 /nfs/dbraw/zinc/49/25/45/1285492545.db2.gz YJLPCKMVRNQCFH-UHFFFAOYSA-N -2 3 374.308 0.815 20 0 FCADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nn1 ZINC001592575195 1285492550 /nfs/dbraw/zinc/49/25/50/1285492550.db2.gz YJLPCKMVRNQCFH-UHFFFAOYSA-N -2 3 374.308 0.815 20 0 FCADHL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592594374 1285525943 /nfs/dbraw/zinc/52/59/43/1285525943.db2.gz HZFOHAZEDMMIKO-UHFFFAOYSA-N -2 3 374.308 0.237 20 0 FCADHL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592594374 1285525952 /nfs/dbraw/zinc/52/59/52/1285525952.db2.gz HZFOHAZEDMMIKO-UHFFFAOYSA-N -2 3 374.308 0.237 20 0 FCADHL NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC001592737068 1285653041 /nfs/dbraw/zinc/65/30/41/1285653041.db2.gz UWHKXRXJAZVIMU-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL NS(=O)(=O)c1cc(NC(=O)c2sccc2-c2nnn[n-]2)ccc1[O-] ZINC001592749666 1285672251 /nfs/dbraw/zinc/67/22/51/1285672251.db2.gz JLVDXGHUEGKEDQ-UHFFFAOYSA-N -2 3 366.384 0.534 20 0 FCADHL NS(=O)(=O)c1cc(NC(=O)c2sccc2-c2nn[n-]n2)ccc1[O-] ZINC001592749666 1285672259 /nfs/dbraw/zinc/67/22/59/1285672259.db2.gz JLVDXGHUEGKEDQ-UHFFFAOYSA-N -2 3 366.384 0.534 20 0 FCADHL O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001592771078 1285697866 /nfs/dbraw/zinc/69/78/66/1285697866.db2.gz DMFOSKPHPGYKOB-GFCCVEGCSA-N -2 3 370.373 0.130 20 0 FCADHL O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001592771078 1285697872 /nfs/dbraw/zinc/69/78/72/1285697872.db2.gz DMFOSKPHPGYKOB-GFCCVEGCSA-N -2 3 370.373 0.130 20 0 FCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592888249 1285796184 /nfs/dbraw/zinc/79/61/84/1285796184.db2.gz QYIKIDXHRMIKIU-NSHDSACASA-N -2 3 370.373 0.475 20 0 FCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccccc1 ZINC001592891408 1285797520 /nfs/dbraw/zinc/79/75/20/1285797520.db2.gz LGFWMSNJAQXGHF-UHFFFAOYSA-N -2 3 359.367 0.751 20 0 FCADHL O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592916727 1285809349 /nfs/dbraw/zinc/80/93/49/1285809349.db2.gz JKICGSAZLKLSAF-UHFFFAOYSA-N -2 3 362.346 0.448 20 0 FCADHL O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592916727 1285809361 /nfs/dbraw/zinc/80/93/61/1285809361.db2.gz JKICGSAZLKLSAF-UHFFFAOYSA-N -2 3 362.346 0.448 20 0 FCADHL O=C(NCCc1nc(=O)o[n-]1)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001593106817 1286007453 /nfs/dbraw/zinc/00/74/53/1286007453.db2.gz IHDMKAVQBIWWAT-UHFFFAOYSA-N -2 3 369.385 0.714 20 0 FCADHL O=C(NCCc1nc(=O)o[n-]1)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001593106817 1286007460 /nfs/dbraw/zinc/00/74/60/1286007460.db2.gz IHDMKAVQBIWWAT-UHFFFAOYSA-N -2 3 369.385 0.714 20 0 FCADHL O=C([O-])[C@@H](CNC(=O)C(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001593142306 1286018050 /nfs/dbraw/zinc/01/80/50/1286018050.db2.gz YLRQYDYYHFZGHS-ZDUSSCGKSA-N -2 3 372.385 0.100 20 0 FCADHL O=C([O-])[C@@H](CNC(=O)C(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001593142306 1286018053 /nfs/dbraw/zinc/01/80/53/1286018053.db2.gz YLRQYDYYHFZGHS-ZDUSSCGKSA-N -2 3 372.385 0.100 20 0 FCADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001593153394 1286024415 /nfs/dbraw/zinc/02/44/15/1286024415.db2.gz DTMFCGQKRSAQBP-UHFFFAOYSA-N -2 3 373.348 0.905 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593168926 1286025839 /nfs/dbraw/zinc/02/58/39/1286025839.db2.gz GMOSVRKRCICYJI-MRVPVSSYSA-N -2 3 350.310 0.029 20 0 FCADHL O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001593168926 1286025841 /nfs/dbraw/zinc/02/58/41/1286025841.db2.gz GMOSVRKRCICYJI-MRVPVSSYSA-N -2 3 350.310 0.029 20 0 FCADHL O=C([N-]O[C@H]1CCCCO1)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593166296 1286025896 /nfs/dbraw/zinc/02/58/96/1286025896.db2.gz GXRRJVPIYKKNAM-NSHDSACASA-N -2 3 350.310 0.519 20 0 FCADHL O=C([N-]O[C@H]1CCCCO1)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593166296 1286025901 /nfs/dbraw/zinc/02/59/01/1286025901.db2.gz GXRRJVPIYKKNAM-NSHDSACASA-N -2 3 350.310 0.519 20 0 FCADHL O=C([N-]S(=O)(=O)c1ncccc1F)c1cc(-c2nnn[n-]2)cs1 ZINC001593172757 1286026699 /nfs/dbraw/zinc/02/66/99/1286026699.db2.gz NQJQAPZEUOASQG-UHFFFAOYSA-N -2 3 354.348 0.581 20 0 FCADHL O=C([N-]S(=O)(=O)c1ncccc1F)c1cc(-c2nn[n-]n2)cs1 ZINC001593172757 1286026704 /nfs/dbraw/zinc/02/67/04/1286026704.db2.gz NQJQAPZEUOASQG-UHFFFAOYSA-N -2 3 354.348 0.581 20 0 FCADHL O=C([O-])[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001593187831 1286031185 /nfs/dbraw/zinc/03/11/85/1286031185.db2.gz DYCYEXZDTKOCNG-HAQNSBGRSA-N -2 3 371.401 0.562 20 0 FCADHL O=C([O-])[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC001593187831 1286031191 /nfs/dbraw/zinc/03/11/91/1286031191.db2.gz DYCYEXZDTKOCNG-HAQNSBGRSA-N -2 3 371.401 0.562 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001593187650 1286031958 /nfs/dbraw/zinc/03/19/58/1286031958.db2.gz WYXMISJBDJBLJU-UMSPYCQHSA-N -2 3 366.385 0.983 20 0 FCADHL O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593213811 1286042209 /nfs/dbraw/zinc/04/22/09/1286042209.db2.gz HPWOONZCBDRXHQ-SNVBAGLBSA-N -2 3 364.749 0.534 20 0 FCADHL O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001593213811 1286042212 /nfs/dbraw/zinc/04/22/12/1286042212.db2.gz HPWOONZCBDRXHQ-SNVBAGLBSA-N -2 3 364.749 0.534 20 0 FCADHL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)CC[C@@H]21 ZINC001593272830 1286057424 /nfs/dbraw/zinc/05/74/24/1286057424.db2.gz BYQZMHCWURDSDS-YGOYTEALSA-N -2 3 367.362 0.347 20 0 FCADHL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)CC[C@@H]21 ZINC001593272830 1286057425 /nfs/dbraw/zinc/05/74/25/1286057425.db2.gz BYQZMHCWURDSDS-YGOYTEALSA-N -2 3 367.362 0.347 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)CCO1 ZINC001593276255 1286059219 /nfs/dbraw/zinc/05/92/19/1286059219.db2.gz IOHORJSDCXJKCY-NSHDSACASA-N -2 3 350.310 0.001 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001593276255 1286059226 /nfs/dbraw/zinc/05/92/26/1286059226.db2.gz IOHORJSDCXJKCY-NSHDSACASA-N -2 3 350.310 0.001 20 0 FCADHL O=C([O-])[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)CCO1 ZINC001593276253 1286059301 /nfs/dbraw/zinc/05/93/01/1286059301.db2.gz IOHORJSDCXJKCY-LLVKDONJSA-N -2 3 350.310 0.001 20 0 FCADHL O=C([O-])[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001593276253 1286059308 /nfs/dbraw/zinc/05/93/08/1286059308.db2.gz IOHORJSDCXJKCY-LLVKDONJSA-N -2 3 350.310 0.001 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CCC1 ZINC001593276464 1286059433 /nfs/dbraw/zinc/05/94/33/1286059433.db2.gz OQBUYLGPEHLUDO-NSHDSACASA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CCC1 ZINC001593276464 1286059440 /nfs/dbraw/zinc/05/94/40/1286059440.db2.gz OQBUYLGPEHLUDO-NSHDSACASA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593277044 1286060348 /nfs/dbraw/zinc/06/03/48/1286060348.db2.gz XRKIMQAXMVBFCZ-ONGXEEELSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593277044 1286060353 /nfs/dbraw/zinc/06/03/53/1286060353.db2.gz XRKIMQAXMVBFCZ-ONGXEEELSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC001593276889 1286060549 /nfs/dbraw/zinc/06/05/49/1286060549.db2.gz QPHWVRDHUUSKFB-JTQLQIEISA-N -2 3 352.738 0.837 20 0 FCADHL O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC001593276889 1286060552 /nfs/dbraw/zinc/06/05/52/1286060552.db2.gz QPHWVRDHUUSKFB-JTQLQIEISA-N -2 3 352.738 0.837 20 0 FCADHL O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593277040 1286060813 /nfs/dbraw/zinc/06/08/13/1286060813.db2.gz XRKIMQAXMVBFCZ-KOLCDFICSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593277040 1286060816 /nfs/dbraw/zinc/06/08/16/1286060816.db2.gz XRKIMQAXMVBFCZ-KOLCDFICSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])CSCC(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001593278715 1286061919 /nfs/dbraw/zinc/06/19/19/1286061919.db2.gz VGYSSDDEQRLQRE-UHFFFAOYSA-N -2 3 368.444 0.395 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001593372773 1286095738 /nfs/dbraw/zinc/09/57/38/1286095738.db2.gz CGSYULRYGNMRFT-NSHDSACASA-N -2 3 353.342 0.656 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001593372773 1286095743 /nfs/dbraw/zinc/09/57/43/1286095743.db2.gz CGSYULRYGNMRFT-NSHDSACASA-N -2 3 353.342 0.656 20 0 FCADHL COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609292738 1289059621 /nfs/dbraw/zinc/05/96/21/1289059621.db2.gz VGSXOQXSXUGLGR-NKWVEPMBSA-N -2 3 373.416 0.185 20 0 FCADHL COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609292740 1289060318 /nfs/dbraw/zinc/06/03/18/1289060318.db2.gz VGSXOQXSXUGLGR-RQJHMYQMSA-N -2 3 373.416 0.185 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)C2)n1 ZINC001600064578 1286434818 /nfs/dbraw/zinc/43/48/18/1286434818.db2.gz URDOJTMIZAOSGL-RWMBFGLXSA-N -2 3 364.402 0.455 20 0 FCADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC001609302297 1289074557 /nfs/dbraw/zinc/07/45/57/1289074557.db2.gz DZLBIOFTQKBQMQ-UHFFFAOYSA-N -2 3 367.322 0.316 20 0 FCADHL Cc1cc(F)c(S(=O)(=O)[N-]CCC(=O)NCCC(=O)[O-])cc1F ZINC001600228009 1286455381 /nfs/dbraw/zinc/45/53/81/1286455381.db2.gz PDMUNZPKIVGFAK-UHFFFAOYSA-N -2 3 350.343 0.533 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c(C)o1 ZINC001609302899 1289077443 /nfs/dbraw/zinc/07/74/43/1289077443.db2.gz PAAGOKRAJAVEAU-UHFFFAOYSA-N -2 3 364.343 0.751 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c(C)o1 ZINC001609302899 1289077451 /nfs/dbraw/zinc/07/74/51/1289077451.db2.gz PAAGOKRAJAVEAU-UHFFFAOYSA-N -2 3 364.343 0.751 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(F)c1F ZINC001600482940 1286496401 /nfs/dbraw/zinc/49/64/01/1286496401.db2.gz ZLDLDWRPNBOEQM-YUMQZZPRSA-N -2 3 350.343 0.529 20 0 FCADHL CO[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001609307241 1289079129 /nfs/dbraw/zinc/07/91/29/1289079129.db2.gz TZXYARNNHSHECL-LBPRGKRZSA-N -2 3 353.404 0.484 20 0 FCADHL CO[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001609307241 1289079132 /nfs/dbraw/zinc/07/91/32/1289079132.db2.gz TZXYARNNHSHECL-LBPRGKRZSA-N -2 3 353.404 0.484 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2COc3c(F)cc(F)cc3C2)c1C(=O)[O-] ZINC001600672744 1286523988 /nfs/dbraw/zinc/52/39/88/1286523988.db2.gz ISDSGZOGJLRIDH-VIFPVBQESA-N -2 3 373.337 0.977 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1C(=O)[O-] ZINC001600673077 1286524190 /nfs/dbraw/zinc/52/41/90/1286524190.db2.gz MOFDXSFVEYHCMS-SECBINFHSA-N -2 3 358.420 0.342 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC2(NC(=O)OC(C)(C)C)CC2)c1C(=O)[O-] ZINC001600673652 1286524617 /nfs/dbraw/zinc/52/46/17/1286524617.db2.gz SOTCYMULYOBZSA-UHFFFAOYSA-N -2 3 374.419 0.752 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2)c1C(=O)[O-] ZINC001600673281 1286524897 /nfs/dbraw/zinc/52/48/97/1286524897.db2.gz DUNVPJSZOIDVTQ-UHFFFAOYSA-N -2 3 352.372 0.125 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC[C@@](C)(O)c2ccccc2)c1C(=O)[O-] ZINC001600673621 1286525018 /nfs/dbraw/zinc/52/50/18/1286525018.db2.gz KQTFRCAMBDSQPZ-OAHLLOKOSA-N -2 3 353.400 0.992 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1C(=O)[O-] ZINC001600673512 1286525086 /nfs/dbraw/zinc/52/50/86/1286525086.db2.gz HKWAWABIXHDTNZ-UBOXLASSSA-N -2 3 373.431 0.667 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1C(=O)[O-] ZINC001600673447 1286525308 /nfs/dbraw/zinc/52/53/08/1286525308.db2.gz QNESZFDDANHSKB-RKDXNWHRSA-N -2 3 365.433 0.050 20 0 FCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001600680161 1286526647 /nfs/dbraw/zinc/52/66/47/1286526647.db2.gz CEYHIVYYXYGFKG-HEHXSTRBSA-N -2 3 372.381 0.167 20 0 FCADHL CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609309061 1289080706 /nfs/dbraw/zinc/08/07/06/1289080706.db2.gz JPTYIYKSHOBFEF-CYBMUJFWSA-N -2 3 367.431 0.874 20 0 FCADHL CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609309061 1289080712 /nfs/dbraw/zinc/08/07/12/1289080712.db2.gz JPTYIYKSHOBFEF-CYBMUJFWSA-N -2 3 367.431 0.874 20 0 FCADHL CO[C@@](C)(C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001609307381 1289081452 /nfs/dbraw/zinc/08/14/52/1289081452.db2.gz YSIOKHYMBMMCMS-OAHLLOKOSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@@](C)(C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001609307381 1289081458 /nfs/dbraw/zinc/08/14/58/1289081458.db2.gz YSIOKHYMBMMCMS-OAHLLOKOSA-N -2 3 365.415 0.628 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC001609311629 1289082963 /nfs/dbraw/zinc/08/29/63/1289082963.db2.gz ZDPGZAJYVSXWTO-GFCCVEGCSA-N -2 3 363.403 0.730 20 0 FCADHL Cc1oc(S(=O)(=O)[N-][C@H](C(N)=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001600855601 1286557756 /nfs/dbraw/zinc/55/77/56/1286557756.db2.gz QTIICJWNORLVAA-LBPRGKRZSA-N -2 3 356.331 0.930 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CCCCS2(=O)=O)cc1C(=O)[O-] ZINC001600857003 1286558860 /nfs/dbraw/zinc/55/88/60/1286558860.db2.gz DALAWILPXJANEM-VIFPVBQESA-N -2 3 351.402 0.532 20 0 FCADHL Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001600997771 1286593575 /nfs/dbraw/zinc/59/35/75/1286593575.db2.gz SULQUFPAGYTDBF-UHFFFAOYSA-N -2 3 371.425 0.921 20 0 FCADHL O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1ccccc1[O-])CCS2(=O)=O ZINC001601443078 1286750557 /nfs/dbraw/zinc/75/05/57/1286750557.db2.gz CPSLTECQRUAVPE-CSJGVYOVSA-N -2 3 353.396 0.933 20 0 FCADHL O=C([O-])[C@@H]1CCc2sc(NC(=O)NCCCc3c[n-][nH]c3=O)nc2C1 ZINC001601494786 1286766990 /nfs/dbraw/zinc/76/69/90/1286766990.db2.gz JSYYEOLHPPYXJH-BDAKNGLRSA-N -2 3 365.415 0.966 20 0 FCADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001601511401 1286775084 /nfs/dbraw/zinc/77/50/84/1286775084.db2.gz JDYXDUIUXFYNKB-DTWKUNHWSA-N -2 3 364.782 0.594 20 0 FCADHL O=C([O-])C1=CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC001601735221 1286816678 /nfs/dbraw/zinc/81/66/78/1286816678.db2.gz TUDRSJQEVFDECE-LLVKDONJSA-N -2 3 359.313 0.777 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@H]([C@H]2CCCO2)C1 ZINC001601825506 1286844192 /nfs/dbraw/zinc/84/41/92/1286844192.db2.gz YPWGQJHRRZPVRJ-DDTOSNHZSA-N -2 3 372.385 0.746 20 0 FCADHL O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@H]([C@H]2CCCO2)C1 ZINC001601825506 1286844203 /nfs/dbraw/zinc/84/42/03/1286844203.db2.gz YPWGQJHRRZPVRJ-DDTOSNHZSA-N -2 3 372.385 0.746 20 0 FCADHL O=C([O-])CCN1CC[C@H](N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1=O ZINC001602010625 1286894359 /nfs/dbraw/zinc/89/43/59/1286894359.db2.gz XZLLKSOPFDEORF-HNNXBMFYSA-N -2 3 361.398 0.226 20 0 FCADHL O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001602203588 1286968022 /nfs/dbraw/zinc/96/80/22/1286968022.db2.gz OKKMVYJQBUHYPW-VHSXEESVSA-N -2 3 373.778 0.041 20 0 FCADHL O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001602203588 1286968033 /nfs/dbraw/zinc/96/80/33/1286968033.db2.gz OKKMVYJQBUHYPW-VHSXEESVSA-N -2 3 373.778 0.041 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]Cc2nc(=O)o[n-]2)c1F ZINC001602264896 1286976926 /nfs/dbraw/zinc/97/69/26/1286976926.db2.gz YNNHNNZDUULLHB-UHFFFAOYSA-N -3 3 351.699 0.332 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001602488509 1287010571 /nfs/dbraw/zinc/01/05/71/1287010571.db2.gz IQWOJCJXETVUJW-NEPJUHHUSA-N -2 3 359.400 0.966 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H](CO)c1ccc(Cl)cc1 ZINC001602506717 1287018554 /nfs/dbraw/zinc/01/85/54/1287018554.db2.gz NEZWDNVLGQBBNI-SECBINFHSA-N -2 3 359.791 0.816 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCN(c2ccccn2)C1 ZINC001602589316 1287033772 /nfs/dbraw/zinc/03/37/72/1287033772.db2.gz YVNFJTHWABYDQK-VIFPVBQESA-N -2 3 354.413 0.794 20 0 FCADHL O=C([O-])C(F)=C(Nc1ccc2cn[nH]c2c1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602656007 1287051610 /nfs/dbraw/zinc/05/16/10/1287051610.db2.gz JQBAYPWGQZLMCM-VIFPVBQESA-N -3 3 363.330 0.183 20 0 FCADHL CC(=O)c1cc(-c2nn[n-]n2)ccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001602961657 1287170029 /nfs/dbraw/zinc/17/00/29/1287170029.db2.gz DKYHKGOQBRTWRK-LLVKDONJSA-N -2 3 351.388 0.990 20 0 FCADHL CC(=O)c1cc(-c2nn[n-]n2)ccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001602961659 1287170123 /nfs/dbraw/zinc/17/01/23/1287170123.db2.gz DKYHKGOQBRTWRK-NSHDSACASA-N -2 3 351.388 0.990 20 0 FCADHL Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cccc1-c1nnn[n-]1 ZINC001609384243 1289131595 /nfs/dbraw/zinc/13/15/95/1289131595.db2.gz AOZMCGQXFVIYJY-VHSXEESVSA-N -2 3 358.358 0.483 20 0 FCADHL Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cccc1-c1nn[n-]n1 ZINC001609384243 1289131600 /nfs/dbraw/zinc/13/16/00/1289131600.db2.gz AOZMCGQXFVIYJY-VHSXEESVSA-N -2 3 358.358 0.483 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001603032143 1287194053 /nfs/dbraw/zinc/19/40/53/1287194053.db2.gz OACNXFVRMYLOHA-SSDOTTSWSA-N -2 3 371.806 0.861 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC001609390380 1289134660 /nfs/dbraw/zinc/13/46/60/1289134660.db2.gz HUWFRNTURPOOPY-UHFFFAOYSA-N -2 3 363.334 0.223 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC001609390380 1289134661 /nfs/dbraw/zinc/13/46/61/1289134661.db2.gz HUWFRNTURPOOPY-UHFFFAOYSA-N -2 3 363.334 0.223 20 0 FCADHL CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001605008036 1287835088 /nfs/dbraw/zinc/83/50/88/1287835088.db2.gz SCEYENCFFRMOAR-NSHDSACASA-N -2 3 353.404 0.733 20 0 FCADHL CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001605008036 1287835093 /nfs/dbraw/zinc/83/50/93/1287835093.db2.gz SCEYENCFFRMOAR-NSHDSACASA-N -2 3 353.404 0.733 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc(-c2nnn[n-]2)c1 ZINC001609405715 1289139527 /nfs/dbraw/zinc/13/95/27/1289139527.db2.gz VZBTUUDSRYXLIX-JQWIXIFHSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc(-c2nn[n-]n2)c1 ZINC001609405715 1289139532 /nfs/dbraw/zinc/13/95/32/1289139532.db2.gz VZBTUUDSRYXLIX-JQWIXIFHSA-N -2 3 372.385 0.683 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001605189967 1287904834 /nfs/dbraw/zinc/90/48/34/1287904834.db2.gz YSCMQUTWQFZVPD-WPRPVWTQSA-N -2 3 367.387 0.359 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001605189967 1287904840 /nfs/dbraw/zinc/90/48/40/1287904840.db2.gz YSCMQUTWQFZVPD-WPRPVWTQSA-N -2 3 367.387 0.359 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC001605253777 1287916932 /nfs/dbraw/zinc/91/69/32/1287916932.db2.gz MORBAKHVDJRIJZ-UHFFFAOYSA-N -2 3 361.387 0.819 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001609415884 1289143401 /nfs/dbraw/zinc/14/34/01/1289143401.db2.gz PYYHIKHTZNZQGQ-LBPRGKRZSA-N -2 3 360.374 0.729 20 0 FCADHL CCOC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001605640910 1288043585 /nfs/dbraw/zinc/04/35/85/1288043585.db2.gz OPZIZELNRSGRJA-SSDOTTSWSA-N -3 3 353.299 0.431 20 0 FCADHL CCOCCOCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001605639443 1288043610 /nfs/dbraw/zinc/04/36/10/1288043610.db2.gz OFMNKEVVAKJOIO-UHFFFAOYSA-N -2 3 353.343 0.994 20 0 FCADHL CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001605735318 1288067734 /nfs/dbraw/zinc/06/77/34/1288067734.db2.gz FGDIDXFBFKSFLK-QKESZYPNSA-N -2 3 363.461 0.774 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CCC(=O)[O-])C1CC1 ZINC001605802246 1288091720 /nfs/dbraw/zinc/09/17/20/1288091720.db2.gz WBPYXPGBHUMTAW-UHFFFAOYSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CCC(=O)[O-])C1CC1 ZINC001605802246 1288091726 /nfs/dbraw/zinc/09/17/26/1288091726.db2.gz WBPYXPGBHUMTAW-UHFFFAOYSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC001605895398 1288100794 /nfs/dbraw/zinc/10/07/94/1288100794.db2.gz HQAVECYHNWNORS-KWQFWETISA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC001605895398 1288100797 /nfs/dbraw/zinc/10/07/97/1288100797.db2.gz HQAVECYHNWNORS-KWQFWETISA-N -2 3 351.388 0.659 20 0 FCADHL Cc1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC001609448836 1289157481 /nfs/dbraw/zinc/15/74/81/1289157481.db2.gz FJNFJVLXBYFCJF-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC001609448836 1289157483 /nfs/dbraw/zinc/15/74/83/1289157483.db2.gz FJNFJVLXBYFCJF-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001609456397 1289161311 /nfs/dbraw/zinc/16/13/11/1289161311.db2.gz OGJWQWMVAFQBLQ-CPCISQLKSA-N -2 3 352.376 0.196 20 0 FCADHL Cc1ncc(S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001609456397 1289161314 /nfs/dbraw/zinc/16/13/14/1289161314.db2.gz OGJWQWMVAFQBLQ-CPCISQLKSA-N -2 3 352.376 0.196 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1-c1nnn[n-]1 ZINC001609456521 1289161632 /nfs/dbraw/zinc/16/16/32/1289161632.db2.gz SYFZIHHYOGGVNK-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1-c1nn[n-]n1 ZINC001609456521 1289161635 /nfs/dbraw/zinc/16/16/35/1289161635.db2.gz SYFZIHHYOGGVNK-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)n1 ZINC001606222489 1288215653 /nfs/dbraw/zinc/21/56/53/1288215653.db2.gz HQHQMRZOBKYGNB-UHFFFAOYSA-N -2 3 359.371 0.775 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]c1nc2n(c1-c1nnn[n-]1)CCS2 ZINC001609463024 1289164629 /nfs/dbraw/zinc/16/46/29/1289164629.db2.gz JHWBPOCGQSEEHZ-UHFFFAOYSA-N -2 3 368.404 0.575 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]c1nc2n(c1-c1nn[n-]n1)CCS2 ZINC001609463024 1289164635 /nfs/dbraw/zinc/16/46/35/1289164635.db2.gz JHWBPOCGQSEEHZ-UHFFFAOYSA-N -2 3 368.404 0.575 20 0 FCADHL CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001606283706 1288254177 /nfs/dbraw/zinc/25/41/77/1288254177.db2.gz IFXMZCIIZCCLKB-QMMMGPOBSA-N -2 3 350.418 0.432 20 0 FCADHL Cc1oc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC001609468405 1289167423 /nfs/dbraw/zinc/16/74/23/1289167423.db2.gz SNDAYUWJZWOVCN-UHFFFAOYSA-N -2 3 368.419 0.312 20 0 FCADHL NC(=O)c1ccc(OCCC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001606430243 1288312062 /nfs/dbraw/zinc/31/20/62/1288312062.db2.gz UGHJERHLAVUGCQ-UHFFFAOYSA-N -2 3 368.353 0.845 20 0 FCADHL NC(=O)c1ccc(OCCC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001606430243 1288312066 /nfs/dbraw/zinc/31/20/66/1288312066.db2.gz UGHJERHLAVUGCQ-UHFFFAOYSA-N -2 3 368.353 0.845 20 0 FCADHL O=C(CC1OCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606507410 1288349542 /nfs/dbraw/zinc/34/95/42/1288349542.db2.gz AYCMQJQJKPCOOB-UHFFFAOYSA-N -2 3 373.778 0.088 20 0 FCADHL O=C(CC1OCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606507410 1288349551 /nfs/dbraw/zinc/34/95/51/1288349551.db2.gz AYCMQJQJKPCOOB-UHFFFAOYSA-N -2 3 373.778 0.088 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001606531122 1288366098 /nfs/dbraw/zinc/36/60/98/1288366098.db2.gz YJLPHGWWLVBSFZ-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001606531122 1288366104 /nfs/dbraw/zinc/36/61/04/1288366104.db2.gz YJLPHGWWLVBSFZ-UHFFFAOYSA-N -2 3 358.383 0.699 20 0 FCADHL O=C(COC(F)F)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001606562792 1288386335 /nfs/dbraw/zinc/38/63/35/1288386335.db2.gz LIMBWBKNEPENQD-UHFFFAOYSA-N -2 3 365.293 0.191 20 0 FCADHL O=C(COC(F)F)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001606562792 1288386342 /nfs/dbraw/zinc/38/63/42/1288386342.db2.gz LIMBWBKNEPENQD-UHFFFAOYSA-N -2 3 365.293 0.191 20 0 FCADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)[O-])C1CC1 ZINC001606667847 1288429674 /nfs/dbraw/zinc/42/96/74/1288429674.db2.gz CPPGZUABSYSAFP-QWRGUYRKSA-N -3 3 361.372 0.833 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC001606787250 1288518080 /nfs/dbraw/zinc/51/80/80/1288518080.db2.gz WCLMVMPQFFDJOM-ZJUUUORDSA-N -2 3 360.378 0.226 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC001606787250 1288518086 /nfs/dbraw/zinc/51/80/86/1288518086.db2.gz WCLMVMPQFFDJOM-ZJUUUORDSA-N -2 3 360.378 0.226 20 0 FCADHL O=C([N-]S(=O)(=O)CCC(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC001606863478 1288542406 /nfs/dbraw/zinc/54/24/06/1288542406.db2.gz BPPYKJAUQGDMHY-UHFFFAOYSA-N -2 3 355.323 0.940 20 0 FCADHL O=C([N-]S(=O)(=O)CCC(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC001606863478 1288542409 /nfs/dbraw/zinc/54/24/09/1288542409.db2.gz BPPYKJAUQGDMHY-UHFFFAOYSA-N -2 3 355.323 0.940 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)C1 ZINC001606957351 1288574419 /nfs/dbraw/zinc/57/44/19/1288574419.db2.gz AGPMNCJSHHQVBR-JTQLQIEISA-N -2 3 374.376 0.908 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001606957351 1288574421 /nfs/dbraw/zinc/57/44/21/1288574421.db2.gz AGPMNCJSHHQVBR-JTQLQIEISA-N -2 3 374.376 0.908 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606960044 1288575510 /nfs/dbraw/zinc/57/55/10/1288575510.db2.gz OUINONGMFBXWGI-KCJUWKMLSA-N -2 3 367.362 0.455 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001606960044 1288575511 /nfs/dbraw/zinc/57/55/11/1288575511.db2.gz OUINONGMFBXWGI-KCJUWKMLSA-N -2 3 367.362 0.455 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001606959143 1288575534 /nfs/dbraw/zinc/57/55/34/1288575534.db2.gz IECSRSNNLFJXQY-UHFFFAOYSA-N -2 3 373.416 0.088 20 0 FCADHL O=C([O-])c1cccc(CCNS(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC001606962229 1288577493 /nfs/dbraw/zinc/57/74/93/1288577493.db2.gz LDHPYXOXZBXYRG-UHFFFAOYSA-N -2 3 374.382 0.481 20 0 FCADHL O=C([O-])c1cccc(CCNS(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC001606962229 1288577495 /nfs/dbraw/zinc/57/74/95/1288577495.db2.gz LDHPYXOXZBXYRG-UHFFFAOYSA-N -2 3 374.382 0.481 20 0 FCADHL O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001607032927 1288602941 /nfs/dbraw/zinc/60/29/41/1288602941.db2.gz GNEVYORNHBMSKW-UHFFFAOYSA-N -2 3 368.357 0.483 20 0 FCADHL O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001607032927 1288602945 /nfs/dbraw/zinc/60/29/45/1288602945.db2.gz GNEVYORNHBMSKW-UHFFFAOYSA-N -2 3 368.357 0.483 20 0 FCADHL O=C1OCc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC001607054439 1288625664 /nfs/dbraw/zinc/62/56/64/1288625664.db2.gz CYBLDHZCNKOBAM-UHFFFAOYSA-N -2 3 358.339 0.733 20 0 FCADHL O=C1OCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC001607054439 1288625667 /nfs/dbraw/zinc/62/56/67/1288625667.db2.gz CYBLDHZCNKOBAM-UHFFFAOYSA-N -2 3 358.339 0.733 20 0 FCADHL O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1cccc(-c2nnn[n-]2)c1 ZINC001607055809 1288625844 /nfs/dbraw/zinc/62/58/44/1288625844.db2.gz CNRGWPXMEADLOM-UHFFFAOYSA-N -2 3 356.367 0.716 20 0 FCADHL O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1cccc(-c2nn[n-]n2)c1 ZINC001607055809 1288625846 /nfs/dbraw/zinc/62/58/46/1288625846.db2.gz CNRGWPXMEADLOM-UHFFFAOYSA-N -2 3 356.367 0.716 20 0 FCADHL O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)[N-][C@H](CCO)C(F)(F)F ZINC001607063102 1288635775 /nfs/dbraw/zinc/63/57/75/1288635775.db2.gz UAHVQPIISGADJD-SNVBAGLBSA-N -2 3 365.337 0.599 20 0 FCADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001607907768 1288745238 /nfs/dbraw/zinc/74/52/38/1288745238.db2.gz MVNVLTFULWAMIB-VIFPVBQESA-N -2 3 364.807 0.928 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)c2nnc3ccccn32)c1C(=O)[O-] ZINC001607940220 1288749891 /nfs/dbraw/zinc/74/98/91/1288749891.db2.gz NEFJRHWWNVLDNR-MRVPVSSYSA-N -2 3 350.360 0.499 20 0 FCADHL Cn1cnnc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001608138833 1288780057 /nfs/dbraw/zinc/78/00/57/1288780057.db2.gz OGVWAEVXDRDJCH-VIFPVBQESA-N -2 3 360.779 0.179 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c(Br)o1 ZINC001608861503 1288877326 /nfs/dbraw/zinc/87/73/26/1288877326.db2.gz VBFVTJCMXPAAPS-GSVOUGTGSA-N -3 3 360.113 0.441 20 0 FCADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@@H]2COC(=O)C2)s1 ZINC001609043143 1288885392 /nfs/dbraw/zinc/88/53/92/1288885392.db2.gz TYAFPAFCTWGRKX-BYPYZUCNSA-N -2 3 370.202 0.803 20 0 FCADHL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001609065246 1288895552 /nfs/dbraw/zinc/89/55/52/1288895552.db2.gz YVEHOWRBRSRIFE-UHFFFAOYSA-N -2 3 374.386 0.146 20 0 FCADHL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001609065246 1288895556 /nfs/dbraw/zinc/89/55/56/1288895556.db2.gz YVEHOWRBRSRIFE-UHFFFAOYSA-N -2 3 374.386 0.146 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001609069750 1288900346 /nfs/dbraw/zinc/90/03/46/1288900346.db2.gz DXGKOUBDQWYRQR-SECBINFHSA-N -2 3 361.387 0.209 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001609069750 1288900347 /nfs/dbraw/zinc/90/03/47/1288900347.db2.gz DXGKOUBDQWYRQR-SECBINFHSA-N -2 3 361.387 0.209 20 0 FCADHL CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609096835 1288917106 /nfs/dbraw/zinc/91/71/06/1288917106.db2.gz BOBIVURSRPJWHY-SNVBAGLBSA-N -2 3 353.404 0.736 20 0 FCADHL CC(C)OCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC001609101484 1288920467 /nfs/dbraw/zinc/92/04/67/1288920467.db2.gz SXFSHQWMJGBJLI-UHFFFAOYSA-N -2 3 368.781 0.931 20 0 FCADHL CC(C)OCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC001609101484 1288920472 /nfs/dbraw/zinc/92/04/72/1288920472.db2.gz SXFSHQWMJGBJLI-UHFFFAOYSA-N -2 3 368.781 0.931 20 0 FCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[nH]n1 ZINC001609104532 1288922465 /nfs/dbraw/zinc/92/24/65/1288922465.db2.gz XRCVAPILYKNXQF-UHFFFAOYSA-N -2 3 361.387 0.832 20 0 FCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[nH]n1 ZINC001609104532 1288922475 /nfs/dbraw/zinc/92/24/75/1288922475.db2.gz XRCVAPILYKNXQF-UHFFFAOYSA-N -2 3 361.387 0.832 20 0 FCADHL C[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)CC(=O)[O-] ZINC001609111244 1288923723 /nfs/dbraw/zinc/92/37/23/1288923723.db2.gz MOQAVCNWAUKKSY-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609110805 1288925225 /nfs/dbraw/zinc/92/52/25/1288925225.db2.gz VNWHAUZLWKBLTL-ZCFIWIBFSA-N -3 3 361.330 0.677 20 0 FCADHL C[C@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609135310 1288941944 /nfs/dbraw/zinc/94/19/44/1288941944.db2.gz OZXMYJWOOWISIO-JTQLQIEISA-N -2 3 374.382 0.534 20 0 FCADHL C[C@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609135310 1288941945 /nfs/dbraw/zinc/94/19/45/1288941945.db2.gz OZXMYJWOOWISIO-JTQLQIEISA-N -2 3 374.382 0.534 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001609143010 1288945100 /nfs/dbraw/zinc/94/51/00/1288945100.db2.gz VDSKIPWUQOLIKZ-UHFFFAOYSA-N -2 3 369.378 0.881 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609142780 1288945294 /nfs/dbraw/zinc/94/52/94/1288945294.db2.gz LVTHNJKLRXVXLC-RISCZKNCSA-N -2 3 351.388 0.788 20 0 FCADHL C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609142780 1288945298 /nfs/dbraw/zinc/94/52/98/1288945298.db2.gz LVTHNJKLRXVXLC-RISCZKNCSA-N -2 3 351.388 0.788 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001609175626 1288969106 /nfs/dbraw/zinc/96/91/06/1288969106.db2.gz VLYMKRNXVZUAOT-VDDIYKPWSA-N -2 3 367.387 0.118 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001609175626 1288969110 /nfs/dbraw/zinc/96/91/10/1288969110.db2.gz VLYMKRNXVZUAOT-VDDIYKPWSA-N -2 3 367.387 0.118 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@@H]1COc2ccccc21 ZINC001609560377 1289225288 /nfs/dbraw/zinc/22/52/88/1289225288.db2.gz LFBMECRWKPJEGE-GFCCVEGCSA-N -2 3 371.378 0.848 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@@H]1COc2ccccc21 ZINC001609560377 1289225292 /nfs/dbraw/zinc/22/52/92/1289225292.db2.gz LFBMECRWKPJEGE-GFCCVEGCSA-N -2 3 371.378 0.848 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@@H]1CCCSC1 ZINC001609560306 1289226139 /nfs/dbraw/zinc/22/61/39/1289226139.db2.gz GWPQVYPHAMSKQH-SECBINFHSA-N -2 3 353.429 0.815 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@@H]1CCCSC1 ZINC001609560306 1289226148 /nfs/dbraw/zinc/22/61/48/1289226148.db2.gz GWPQVYPHAMSKQH-SECBINFHSA-N -2 3 353.429 0.815 20 0 FCADHL O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609564253 1289228685 /nfs/dbraw/zinc/22/86/85/1289228685.db2.gz PTUDHWQBNTVFGL-SNVBAGLBSA-N -2 3 364.749 0.534 20 0 FCADHL O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609564253 1289228692 /nfs/dbraw/zinc/22/86/92/1289228692.db2.gz PTUDHWQBNTVFGL-SNVBAGLBSA-N -2 3 364.749 0.534 20 0 FCADHL O=S(=O)([N-]c1ncccc1-c1nnn[n-]1)c1cnn([C@H]2CCOC2)c1 ZINC001609596469 1289253934 /nfs/dbraw/zinc/25/39/34/1289253934.db2.gz LTCACMXILDMDTQ-VIFPVBQESA-N -2 3 362.375 0.220 20 0 FCADHL O=S(=O)([N-]c1ncccc1-c1nn[n-]n1)c1cnn([C@H]2CCOC2)c1 ZINC001609596469 1289253940 /nfs/dbraw/zinc/25/39/40/1289253940.db2.gz LTCACMXILDMDTQ-VIFPVBQESA-N -2 3 362.375 0.220 20 0 FCADHL CCC[C@](C)(NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-] ZINC001609954145 1289333366 /nfs/dbraw/zinc/33/33/66/1289333366.db2.gz XOWDHKMRRSAVCV-LBPRGKRZSA-N -2 3 362.180 0.471 20 0 FCADHL CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1(C)C ZINC001610030029 1289352618 /nfs/dbraw/zinc/35/26/18/1289352618.db2.gz YDGOQFSOPIAKEP-AMIZOPFISA-N -2 3 364.445 0.686 20 0 FCADHL CN(C)c1nc(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc(=O)[n-]1 ZINC001610106919 1289374375 /nfs/dbraw/zinc/37/43/75/1289374375.db2.gz IWGDOGQVSQBBMF-LLVKDONJSA-N -2 3 360.370 0.627 20 0 FCADHL COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001610164187 1289404139 /nfs/dbraw/zinc/40/41/39/1289404139.db2.gz CBYJTGOWNFEANJ-OTYXRUKQSA-N -2 3 359.404 0.817 20 0 FCADHL CO[C@@H](C)CS(=O)(=O)[N-][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001610225241 1289432204 /nfs/dbraw/zinc/43/22/04/1289432204.db2.gz MEMLIKCISHAWNM-WCBMZHEXSA-N -2 3 362.429 0.506 20 0 FCADHL COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1=O ZINC001610365217 1289470082 /nfs/dbraw/zinc/47/00/82/1289470082.db2.gz JDYSHZFTVUHIIS-NSHDSACASA-N -2 3 370.427 0.831 20 0 FCADHL CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])c1 ZINC001610378508 1289475679 /nfs/dbraw/zinc/47/56/79/1289475679.db2.gz ROALAAIGUCGGDB-MRVPVSSYSA-N -2 3 359.784 0.445 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1C(=O)[O-] ZINC001610550014 1289507125 /nfs/dbraw/zinc/50/71/25/1289507125.db2.gz UAUOSDDXZKPBAJ-PWSUYJOCSA-N -2 3 373.431 0.262 20 0 FCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001610594027 1289520393 /nfs/dbraw/zinc/52/03/93/1289520393.db2.gz FNYCGNFQPGWGRB-UHFFFAOYSA-N -2 3 360.370 0.603 20 0 FCADHL Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)CC3(C(=O)[O-])CCC3)C2=O)n1 ZINC001610608415 1289525892 /nfs/dbraw/zinc/52/58/92/1289525892.db2.gz OGSNGTORXZRRNL-LLVKDONJSA-N -2 3 370.431 0.090 20 0 FCADHL O=C(Cn1cc(Br)c(=O)[n-]c1=O)[N-]OCc1cccnc1 ZINC000746528591 836189784 /nfs/dbraw/zinc/18/97/84/836189784.db2.gz WZSNUVNBWJQYAQ-UHFFFAOYSA-N -2 3 355.148 0.354 20 0 FCADHL C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000747508966 836246769 /nfs/dbraw/zinc/24/67/69/836246769.db2.gz IELJXCVVLFBIEQ-IONNQARKSA-N -2 3 350.393 0.658 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450528 836527956 /nfs/dbraw/zinc/52/79/56/836527956.db2.gz PWWRKNKRCCWOPZ-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450528 836527962 /nfs/dbraw/zinc/52/79/62/836527962.db2.gz PWWRKNKRCCWOPZ-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001145105564 849546773 /nfs/dbraw/zinc/54/67/73/849546773.db2.gz BNRPOOQMQNJUDM-ZJUUUORDSA-N -2 3 354.340 0.335 20 0 FCADHL O=C(Nc1[n-]c(=O)nc2nc[nH]c21)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927303 849623076 /nfs/dbraw/zinc/62/30/76/849623076.db2.gz LSADNKBUHNMCNL-UHFFFAOYSA-N -3 3 351.300 0.263 20 0 FCADHL O=C(Nc1[nH]c(=O)nc2nc[nH]c21)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927303 849623084 /nfs/dbraw/zinc/62/30/84/849623084.db2.gz LSADNKBUHNMCNL-UHFFFAOYSA-N -2 3 351.300 0.263 20 0 FCADHL O=C([O-])c1sc(C(=O)NCCCc2c[n-][nH]c2=O)c2c1OCCO2 ZINC001152708457 849721949 /nfs/dbraw/zinc/72/19/49/849721949.db2.gz VGHCRUMCIQDOAN-ZETCQYMHSA-N -2 3 353.356 0.459 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=N)SCCS(=O)(=O)[O-] ZINC001168094251 850571169 /nfs/dbraw/zinc/57/11/69/850571169.db2.gz UXARSDHYFMGODA-UHFFFAOYSA-N -2 3 358.405 0.843 20 0 FCADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001168404835 850585125 /nfs/dbraw/zinc/58/51/25/850585125.db2.gz PBIMKUXTUMVQBD-NSHDSACASA-N -2 3 352.416 0.690 20 0 FCADHL CN1CCCC(=Nc2ncnc3c2ncn3CCOCP(=O)([O-])[O-])C1 ZINC001175575566 850768278 /nfs/dbraw/zinc/76/82/78/850768278.db2.gz ZZIQFDQIZWQHCP-UHFFFAOYSA-N -2 3 368.334 0.609 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1CC[C@H](CN2C(=O)C=CC2=O)CC1 ZINC001182563693 851181157 /nfs/dbraw/zinc/18/11/57/851181157.db2.gz AKPJAISMIGVARB-JOCQHMNTSA-N -2 3 372.358 0.792 20 0 FCADHL CNC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185572778 851363589 /nfs/dbraw/zinc/36/35/89/851363589.db2.gz ICZRCQUHMLLNPV-UHFFFAOYSA-N -2 3 359.371 0.422 20 0 FCADHL CNC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185572778 851363594 /nfs/dbraw/zinc/36/35/94/851363594.db2.gz ICZRCQUHMLLNPV-UHFFFAOYSA-N -2 3 359.371 0.422 20 0 FCADHL COC(=O)c1ccnnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568407 851364480 /nfs/dbraw/zinc/36/44/80/851364480.db2.gz UFLPDCZHCDQMBK-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1ccnnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568407 851364487 /nfs/dbraw/zinc/36/44/87/851364487.db2.gz UFLPDCZHCDQMBK-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL CN(CC(=O)Nc1nc(C(F)(F)F)cs1)C(N)=NP(=O)([O-])[O-] ZINC001185654868 851377218 /nfs/dbraw/zinc/37/72/18/851377218.db2.gz VEHODJJMNXHWRN-UHFFFAOYSA-N -2 3 361.242 0.649 20 0 FCADHL Nc1nc2c(ncn2CC(=O)NCCCCP(=O)([O-])[O-])c(Cl)n1 ZINC001185904490 851397820 /nfs/dbraw/zinc/39/78/20/851397820.db2.gz BKGYIMHXGMXTCM-UHFFFAOYSA-N -2 3 362.714 0.136 20 0 FCADHL O=C1[N-]OC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186350475 851427344 /nfs/dbraw/zinc/42/73/44/851427344.db2.gz GPNXHQZTOVMPJT-ZCFIWIBFSA-N -2 3 356.585 0.206 20 0 FCADHL Cc1oncc1S(=O)(=O)NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001187396068 851558035 /nfs/dbraw/zinc/55/80/35/851558035.db2.gz YIUZYNBFZUUBSS-UHFFFAOYSA-N -2 3 358.312 0.934 20 0 FCADHL COc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)nn1 ZINC001195254921 852732832 /nfs/dbraw/zinc/73/28/32/852732832.db2.gz PSMRCWYUUFSDLL-UHFFFAOYSA-N -2 3 359.310 0.940 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CN(c3ncccn3)C2)c(F)cc1F ZINC001195258232 852732948 /nfs/dbraw/zinc/73/29/48/852732948.db2.gz MQLXBTGSDKCWBE-UHFFFAOYSA-N -2 3 370.337 0.620 20 0 FCADHL CS(=O)(=O)Cc1ncccc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001196062142 852882412 /nfs/dbraw/zinc/88/24/12/852882412.db2.gz ONRXMGMNXMIBFV-UHFFFAOYSA-N -2 3 350.333 0.314 20 0 FCADHL O=P([O-])([O-])OCC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001196179992 852906548 /nfs/dbraw/zinc/90/65/48/852906548.db2.gz BEWWQXZUEWZNDZ-UHFFFAOYSA-N -3 3 361.110 0.232 20 0 FCADHL Cc1[n-][nH]c2ncnc(=NC(=O)c3sccc3[N-]S(C)(=O)=O)c1-2 ZINC001196721089 853004275 /nfs/dbraw/zinc/00/42/75/853004275.db2.gz ARIQLIXNPQJNRT-UHFFFAOYSA-N -2 3 352.401 0.720 20 0 FCADHL CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](COc3nc(=O)[n-]c(=O)[n-]3)[C@H]2C1 ZINC001227566469 857164531 /nfs/dbraw/zinc/16/45/31/857164531.db2.gz GIYXLQRSHZPKML-IVZWLZJFSA-N -2 3 354.363 0.544 20 0 FCADHL COC(=O)[C@@H]1C[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)CN1C(=O)OC(C)(C)C ZINC001227569152 857165712 /nfs/dbraw/zinc/16/57/12/857165712.db2.gz UCVVNSXZOSYZEA-YUMQZZPRSA-N -2 3 356.335 0.213 20 0 FCADHL O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ncc(Cl)cc1[O-] ZINC001227979387 857187748 /nfs/dbraw/zinc/18/77/48/857187748.db2.gz CYEJRSAZOCEQMR-SNVBAGLBSA-N -2 3 352.796 0.408 20 0 FCADHL O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ccc2occ([O-])c2c1 ZINC001233678125 857389253 /nfs/dbraw/zinc/38/92/53/857389253.db2.gz STGRAMSVIZEZKW-LBPRGKRZSA-N -2 3 357.384 0.229 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2COCCO2)c(F)cc1Cl ZINC001259222896 858249258 /nfs/dbraw/zinc/24/92/58/858249258.db2.gz IUKBRNLXPHWAFX-ZETCQYMHSA-N -2 3 353.755 0.871 20 0 FCADHL CS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259221966 858249296 /nfs/dbraw/zinc/24/92/96/858249296.db2.gz CEFXHEJJCYYZAR-UHFFFAOYSA-N -2 3 373.811 0.890 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC(=O)NC2=O)c(F)cc1Cl ZINC001259224489 858250163 /nfs/dbraw/zinc/25/01/63/858250163.db2.gz JTDGWAIWCXVUON-YFKPBYRVSA-N -2 3 364.738 0.118 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CN(C3COC3)C2)c(F)cc1Cl ZINC001259225859 858250181 /nfs/dbraw/zinc/25/01/81/858250181.db2.gz LBBINKHYPLXLBS-UHFFFAOYSA-N -2 3 364.782 0.539 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001260241340 858361233 /nfs/dbraw/zinc/36/12/33/858361233.db2.gz FBYUBKYNNDCKIS-UHFFFAOYSA-N -2 3 351.317 0.709 20 0 FCADHL COc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1C(N)=O ZINC001260398838 858368062 /nfs/dbraw/zinc/36/80/62/858368062.db2.gz CIMBIVCEXUAVBM-UHFFFAOYSA-N -2 3 366.351 0.999 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H](Cn2cc(Cl)cn2)C(=O)[O-])nc1Cl ZINC001320741157 868260083 /nfs/dbraw/zinc/26/00/83/868260083.db2.gz AOFXVVLCOWHHDW-SSDOTTSWSA-N -2 3 368.202 0.355 20 0 FCADHL C[C@H](CC(=O)[O-])NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC001322714864 868915975 /nfs/dbraw/zinc/91/59/75/868915975.db2.gz LUEJKPVBSIMKHK-BDAKNGLRSA-N -2 3 363.823 0.771 20 0 FCADHL COC(=O)c1sc(S(=O)(=O)[N-]Cc2nc(=O)o[n-]2)c(C)c1Cl ZINC001343486160 870451466 /nfs/dbraw/zinc/45/14/66/870451466.db2.gz WMZFSWHDRBYOGQ-UHFFFAOYSA-N -2 3 367.792 0.651 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])CN2CCOCC2)s1 ZINC001332253797 873423378 /nfs/dbraw/zinc/42/33/78/873423378.db2.gz ACQQRYXWYSYJSB-LLVKDONJSA-N -2 3 363.461 0.295 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2(O)CCOCC2)c1F ZINC000321431310 970772147 /nfs/dbraw/zinc/77/21/47/970772147.db2.gz XDLLGVHQXGXTNF-UHFFFAOYSA-N -2 3 351.327 0.483 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)O[C@H](C)C(=O)[O-])CCCC1 ZINC001611266166 970960587 /nfs/dbraw/zinc/96/05/87/970960587.db2.gz ILEIXFMFLIOYEL-SNVBAGLBSA-N -2 3 360.388 0.899 20 0 FCADHL C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574678277 948746529 /nfs/dbraw/zinc/74/65/29/948746529.db2.gz BSEZOIYLUGCLME-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574678277 948746536 /nfs/dbraw/zinc/74/65/36/948746536.db2.gz BSEZOIYLUGCLME-VIFPVBQESA-N -2 3 355.362 0.378 20 0 FCADHL O=C([O-])c1cnc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC001595267680 949771735 /nfs/dbraw/zinc/77/17/35/949771735.db2.gz QURYMUNOIDQXTL-UHFFFAOYSA-N -2 3 356.338 0.479 20 0 FCADHL C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncccc1[O-] ZINC001575938029 950968164 /nfs/dbraw/zinc/96/81/64/950968164.db2.gz MKLCTKSNODJKAI-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncccc1[O-] ZINC001575938029 950968182 /nfs/dbraw/zinc/96/81/82/950968182.db2.gz MKLCTKSNODJKAI-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067457 951611323 /nfs/dbraw/zinc/61/13/23/951611323.db2.gz MGHQVXZKIWLUTQ-VIFPVBQESA-N -2 3 355.362 0.235 20 0 FCADHL C[C@H](CNC(=O)c1ncccc1[O-])CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067457 951611330 /nfs/dbraw/zinc/61/13/30/951611330.db2.gz MGHQVXZKIWLUTQ-VIFPVBQESA-N -2 3 355.362 0.235 20 0 FCADHL C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ncccc1[O-] ZINC001575128991 952075681 /nfs/dbraw/zinc/07/56/81/952075681.db2.gz OCFDGNLMVNOUCI-SNVBAGLBSA-N -2 3 354.374 0.935 20 0 FCADHL C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ncccc1[O-] ZINC001575128991 952075684 /nfs/dbraw/zinc/07/56/84/952075684.db2.gz OCFDGNLMVNOUCI-SNVBAGLBSA-N -2 3 354.374 0.935 20 0 FCADHL O=c1cc(CN2CCO[C@]3(CCSC3)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571114449 952454714 /nfs/dbraw/zinc/45/47/14/952454714.db2.gz FQTNOTYTQQUPIG-OAHLLOKOSA-N -2 3 374.430 0.323 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COC[C@@](C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC ZINC000831631698 601806592 /nfs/dbraw/zinc/80/65/92/601806592.db2.gz MNMGPPCFCDNEIS-CYBMUJFWSA-N -2 3 367.326 0.519 20 0 FCADHL O=S(=O)([N-]CC1(O)CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490142 607622501 /nfs/dbraw/zinc/62/25/01/607622501.db2.gz KWTPTXDAGVBEPM-UHFFFAOYSA-N -2 3 359.358 0.728 20 0 FCADHL O=C([N-]OCc1cccnc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826449711 607633122 /nfs/dbraw/zinc/63/31/22/607633122.db2.gz GQAVIIVZAFJSDG-UHFFFAOYSA-N -2 3 357.305 0.587 20 0 FCADHL O=C([N-]OCc1cccnc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826449711 607633123 /nfs/dbraw/zinc/63/31/23/607633123.db2.gz GQAVIIVZAFJSDG-UHFFFAOYSA-N -2 3 357.305 0.587 20 0 FCADHL CN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000825883944 607682394 /nfs/dbraw/zinc/68/23/94/607682394.db2.gz QYFYEKZTDMKTAS-UHFFFAOYSA-N -2 3 364.366 0.663 20 0 FCADHL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccnc2Br)cn1 ZINC000236430457 604403259 /nfs/dbraw/zinc/40/32/59/604403259.db2.gz JIIROODHSQLGKL-UHFFFAOYSA-N -2 3 361.177 0.926 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])c(C)o1 ZINC000831029522 604439747 /nfs/dbraw/zinc/43/97/47/604439747.db2.gz UGOLCOLDSJGIPP-LLVKDONJSA-N -2 3 362.404 0.446 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)c(C)o1 ZINC000831033701 604684911 /nfs/dbraw/zinc/68/49/11/604684911.db2.gz AFQGHABKCKVREQ-MRVPVSSYSA-N -2 3 372.359 0.090 20 0 FCADHL CC(C)CN1CCO[C@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000833487577 605016243 /nfs/dbraw/zinc/01/62/43/605016243.db2.gz JPONTBVFIGCKPB-SNVBAGLBSA-N -2 3 363.461 0.476 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)C2CC2)c(Br)o1 ZINC000071306544 605068014 /nfs/dbraw/zinc/06/80/14/605068014.db2.gz OPSMARBMPSDSRQ-LURJTMIESA-N -2 3 354.178 0.790 20 0 FCADHL CC(C)C[C@H](NC(=O)CNC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000799248170 605249067 /nfs/dbraw/zinc/24/90/67/605249067.db2.gz SOMDLZDASMNXRM-LBPRGKRZSA-N -2 3 360.370 0.681 20 0 FCADHL O=C(CCOCC1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822974287 606406746 /nfs/dbraw/zinc/40/67/46/606406746.db2.gz FOINUWNTRGUKLX-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CCOCC1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822974287 606406748 /nfs/dbraw/zinc/40/67/48/606406748.db2.gz FOINUWNTRGUKLX-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CC[C@H]1CCOC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822950307 606407154 /nfs/dbraw/zinc/40/71/54/606407154.db2.gz JIAWUCUODLDESG-NSHDSACASA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CC[C@H]1CCOC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822950307 606407156 /nfs/dbraw/zinc/40/71/56/606407156.db2.gz JIAWUCUODLDESG-NSHDSACASA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CC[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822950499 606407173 /nfs/dbraw/zinc/40/71/73/606407173.db2.gz QBDDUZJTVYOIKD-JTQLQIEISA-N -2 3 351.388 0.488 20 0 FCADHL O=C(CC[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822950499 606407174 /nfs/dbraw/zinc/40/71/74/606407174.db2.gz QBDDUZJTVYOIKD-JTQLQIEISA-N -2 3 351.388 0.488 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821860037 606459567 /nfs/dbraw/zinc/45/95/67/606459567.db2.gz WPDRYRRPCIGHCC-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821860037 606459570 /nfs/dbraw/zinc/45/95/70/606459570.db2.gz WPDRYRRPCIGHCC-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)O1 ZINC000820973590 606839382 /nfs/dbraw/zinc/83/93/82/606839382.db2.gz YCDIWQFHDCEDEM-VXGBXAGGSA-N -2 3 365.415 0.938 20 0 FCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)O1 ZINC000820973590 606839384 /nfs/dbraw/zinc/83/93/84/606839384.db2.gz YCDIWQFHDCEDEM-VXGBXAGGSA-N -2 3 365.415 0.938 20 0 FCADHL COCCOCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821693005 606889082 /nfs/dbraw/zinc/88/90/82/606889082.db2.gz NGEBKDSPWKVHEF-UHFFFAOYSA-N -2 3 363.346 0.086 20 0 FCADHL C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820307164 606889643 /nfs/dbraw/zinc/88/96/43/606889643.db2.gz JQMLFVWAZLBGKQ-SSDOTTSWSA-N -2 3 370.345 0.103 20 0 FCADHL C[C@]1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCO1 ZINC000820619237 606895259 /nfs/dbraw/zinc/89/52/59/606895259.db2.gz ZWWDMNXJSINNRL-CYBMUJFWSA-N -2 3 359.358 0.992 20 0 FCADHL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822604907 607003258 /nfs/dbraw/zinc/00/32/58/607003258.db2.gz PKDUUPFDVMBCAO-UHFFFAOYSA-N -2 3 355.767 0.760 20 0 FCADHL O=C1OCc2ccc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)cc21 ZINC000823551397 607026612 /nfs/dbraw/zinc/02/66/12/607026612.db2.gz PAHRXQINVDLSPF-UHFFFAOYSA-N -2 3 364.368 0.794 20 0 FCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000820001617 607089401 /nfs/dbraw/zinc/08/94/01/607089401.db2.gz VJKWCPFWENUMDR-UHFFFAOYSA-N -2 3 365.415 0.880 20 0 FCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CCCF ZINC000820001395 607090690 /nfs/dbraw/zinc/09/06/90/607090690.db2.gz KVCFTKMXAWQRDH-UHFFFAOYSA-N -2 3 371.394 0.830 20 0 FCADHL Cc1nc(SCC(=O)N[C@@H](C)C(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000822454547 607110847 /nfs/dbraw/zinc/11/08/47/607110847.db2.gz YAOZPKUOZVRRPB-VIFPVBQESA-N -2 3 350.404 0.868 20 0 FCADHL Cc1nc(SCC(=O)N[C@@H](C)C(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000822454547 607110849 /nfs/dbraw/zinc/11/08/49/607110849.db2.gz YAOZPKUOZVRRPB-VIFPVBQESA-N -2 3 350.404 0.868 20 0 FCADHL O=S(=O)([N-][C@@H]1CCN(C2CC2)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487841 607852214 /nfs/dbraw/zinc/85/22/14/607852214.db2.gz BGCPAJLHGBTJGP-SECBINFHSA-N -2 3 370.385 0.660 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826409011 607988044 /nfs/dbraw/zinc/98/80/44/607988044.db2.gz FBUGAZRQVFJLRU-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826409011 607988045 /nfs/dbraw/zinc/98/80/45/607988045.db2.gz FBUGAZRQVFJLRU-UHFFFAOYSA-N -2 3 372.410 0.841 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC000826279555 608010781 /nfs/dbraw/zinc/01/07/81/608010781.db2.gz ULXMSLGIOVHZFA-UHFFFAOYSA-N -2 3 351.388 0.851 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826461433 608010865 /nfs/dbraw/zinc/01/08/65/608010865.db2.gz VAVSVWQUKJKRRP-SSDOTTSWSA-N -2 3 357.779 0.615 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000826279385 608010954 /nfs/dbraw/zinc/01/09/54/608010954.db2.gz OPEJGDDIGHJFIN-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000826279385 608010955 /nfs/dbraw/zinc/01/09/55/608010955.db2.gz OPEJGDDIGHJFIN-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824152326 608011236 /nfs/dbraw/zinc/01/12/36/608011236.db2.gz AHORMUDCHFFNRT-UHFFFAOYSA-N -2 3 357.367 0.928 20 0 FCADHL NC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)[nH]n1 ZINC000826392683 608012520 /nfs/dbraw/zinc/01/25/20/608012520.db2.gz IRNDHMGKRSONJC-UHFFFAOYSA-N -2 3 368.766 0.143 20 0 FCADHL NC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)[nH]n1 ZINC000826392683 608012521 /nfs/dbraw/zinc/01/25/21/608012521.db2.gz IRNDHMGKRSONJC-UHFFFAOYSA-N -2 3 368.766 0.143 20 0 FCADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000823967533 608306721 /nfs/dbraw/zinc/30/67/21/608306721.db2.gz NAOKSYHWASGVNA-UHFFFAOYSA-N -2 3 362.375 0.373 20 0 FCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000826492496 608307959 /nfs/dbraw/zinc/30/79/59/608307959.db2.gz NVXYNCXPOBSYBL-UHFFFAOYSA-N -2 3 357.302 0.992 20 0 FCADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc12 ZINC000826322450 608415489 /nfs/dbraw/zinc/41/54/89/608415489.db2.gz MXWZYQNUGZAQLY-UHFFFAOYSA-N -2 3 357.359 0.642 20 0 FCADHL COc1ccc(O)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000826210004 608582643 /nfs/dbraw/zinc/58/26/43/608582643.db2.gz AEOKZUQBMNOVCR-UHFFFAOYSA-N -2 3 351.348 0.115 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CSCCS1 ZINC000826450574 609139740 /nfs/dbraw/zinc/13/97/40/609139740.db2.gz RYOYPJUMOMXSQA-SNVBAGLBSA-N -2 3 371.469 0.520 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CSCCS1 ZINC000826450574 609139742 /nfs/dbraw/zinc/13/97/42/609139742.db2.gz RYOYPJUMOMXSQA-SNVBAGLBSA-N -2 3 371.469 0.520 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826249540 609161679 /nfs/dbraw/zinc/16/16/79/609161679.db2.gz HXJBJFBESUEBPP-LLVKDONJSA-N -2 3 351.388 0.414 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826249540 609161680 /nfs/dbraw/zinc/16/16/80/609161680.db2.gz HXJBJFBESUEBPP-LLVKDONJSA-N -2 3 351.388 0.414 20 0 FCADHL NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[nH]n1 ZINC000826393039 609338963 /nfs/dbraw/zinc/33/89/63/609338963.db2.gz YZTNHIKKYZBTIU-UHFFFAOYSA-N -2 3 368.766 0.143 20 0 FCADHL NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[nH]n1 ZINC000826393039 609338964 /nfs/dbraw/zinc/33/89/64/609338964.db2.gz YZTNHIKKYZBTIU-UHFFFAOYSA-N -2 3 368.766 0.143 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCCOC1 ZINC000824784675 609355614 /nfs/dbraw/zinc/35/56/14/609355614.db2.gz YPUNFJBENVKEQP-HNNXBMFYSA-N -2 3 365.415 0.629 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCCOC1 ZINC000824784675 609355617 /nfs/dbraw/zinc/35/56/17/609355617.db2.gz YPUNFJBENVKEQP-HNNXBMFYSA-N -2 3 365.415 0.629 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825643537 609406240 /nfs/dbraw/zinc/40/62/40/609406240.db2.gz PVBRFYYIRMFFND-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825643537 609406242 /nfs/dbraw/zinc/40/62/42/609406242.db2.gz PVBRFYYIRMFFND-UHFFFAOYSA-N -2 3 374.382 0.779 20 0 FCADHL O=C([O-])[C@H]1CCCCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826461538 609506767 /nfs/dbraw/zinc/50/67/67/609506767.db2.gz YRCQIGXMRCIGND-GFCCVEGCSA-N -2 3 351.388 0.636 20 0 FCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000846002130 663338504 /nfs/dbraw/zinc/33/85/04/663338504.db2.gz CRMNJVOQTARFHV-UHFFFAOYSA-N -2 3 372.628 0.844 20 0 FCADHL COCCO[N-]C(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000748767803 664990231 /nfs/dbraw/zinc/99/02/31/664990231.db2.gz ORFZHCVVLSIFHL-UHFFFAOYSA-N -2 3 361.420 0.577 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-] ZINC000262486483 665156306 /nfs/dbraw/zinc/15/63/06/665156306.db2.gz SRXNPFVEVPCKTB-MRVPVSSYSA-N -2 3 350.418 0.955 20 0 FCADHL COC(=O)c1cn[n-]c1S(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C ZINC000912560228 666454488 /nfs/dbraw/zinc/45/44/88/666454488.db2.gz JZRKVXLQVOGSTL-UHFFFAOYSA-N -2 3 368.400 0.276 20 0 FCADHL COC(=O)c1c[n-]nc1S(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C ZINC000912560228 666454491 /nfs/dbraw/zinc/45/44/91/666454491.db2.gz JZRKVXLQVOGSTL-UHFFFAOYSA-N -2 3 368.400 0.276 20 0 FCADHL C=CCNC(=O)c1cccc(S(=O)(=O)[N-][N-]C(=O)NCCCC)c1 ZINC000064375384 666456925 /nfs/dbraw/zinc/45/69/25/666456925.db2.gz DFCOAJVYWHPUEZ-UHFFFAOYSA-N -2 3 354.432 0.895 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCc1cccc(C(=O)[O-])n1 ZINC000912559259 666458730 /nfs/dbraw/zinc/45/87/30/666458730.db2.gz WVOXSGYTTWQGEW-UHFFFAOYSA-N -2 3 368.371 0.119 20 0 FCADHL COCCN1C(=O)C(=CNc2cc([N+](=O)[O-])ccc2[O-])C(=O)[N-]C1=S ZINC000060864018 666589497 /nfs/dbraw/zinc/58/94/97/666589497.db2.gz HRKXTQFDEQZMCR-CLFYSBASSA-N -2 3 366.355 0.486 20 0 FCADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000753428721 667553069 /nfs/dbraw/zinc/55/30/69/667553069.db2.gz OSTXLSJIXBCNFK-UHFFFAOYSA-N -2 3 359.367 0.984 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]CCCCn2cc(C(=O)[O-])nn2)nc1Cl ZINC000840796127 667983161 /nfs/dbraw/zinc/98/31/61/667983161.db2.gz DJMFAHGSNRGADA-UHFFFAOYSA-N -2 3 362.799 0.122 20 0 FCADHL C[C@@H](CC(=O)[O-])NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000767086294 668044768 /nfs/dbraw/zinc/04/47/68/668044768.db2.gz QYDWDAYGORQRHG-ZETCQYMHSA-N -2 3 362.354 0.999 20 0 FCADHL Cn1cc(C[C@@H](C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)C(=O)[O-])cn1 ZINC000776635542 668281365 /nfs/dbraw/zinc/28/13/65/668281365.db2.gz KNBFCNQSEDHQKP-VIFPVBQESA-N -2 3 361.811 0.029 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NCCc2n[n-]c(=S)o2)ccc1F ZINC000779539981 668426329 /nfs/dbraw/zinc/42/63/29/668426329.db2.gz LEPVCGUJLSSBFW-UHFFFAOYSA-N -2 3 360.392 0.378 20 0 FCADHL CC(C)OCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898992 668680981 /nfs/dbraw/zinc/68/09/81/668680981.db2.gz RHKAKEMLRDKKQE-UHFFFAOYSA-N -2 3 368.408 0.427 20 0 FCADHL CS(=O)(=O)CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000819159838 668984799 /nfs/dbraw/zinc/98/47/99/668984799.db2.gz RAXPBZHZIWSXSA-UHFFFAOYSA-N -2 3 371.383 0.766 20 0 FCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2cnn(C)c2C)c1 ZINC000821192182 669167717 /nfs/dbraw/zinc/16/77/17/669167717.db2.gz HQKNSVZFKVBNPC-HSZRJFAPSA-N -2 3 371.440 0.350 20 0 FCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2c(C)cnn2C)c1 ZINC000821192917 669167757 /nfs/dbraw/zinc/16/77/57/669167757.db2.gz NRTDDTXNUCXUDL-HSZRJFAPSA-N -2 3 371.440 0.350 20 0 FCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)CCCF ZINC000823060402 669316650 /nfs/dbraw/zinc/31/66/50/669316650.db2.gz AKECIWGXZIKXMG-UHFFFAOYSA-N -2 3 373.435 0.906 20 0 FCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)CCCF ZINC000823060402 669316654 /nfs/dbraw/zinc/31/66/54/669316654.db2.gz AKECIWGXZIKXMG-UHFFFAOYSA-N -2 3 373.435 0.906 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824867956 669422032 /nfs/dbraw/zinc/42/20/32/669422032.db2.gz RPESUJZMPOPQPE-GXFFZTMASA-N -2 3 365.415 0.628 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824867956 669422035 /nfs/dbraw/zinc/42/20/35/669422035.db2.gz RPESUJZMPOPQPE-GXFFZTMASA-N -2 3 365.415 0.628 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824867641 669422141 /nfs/dbraw/zinc/42/21/41/669422141.db2.gz PXUFIGNJAYUWBJ-GXFFZTMASA-N -2 3 365.415 0.628 20 0 FCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824867641 669422145 /nfs/dbraw/zinc/42/21/45/669422145.db2.gz PXUFIGNJAYUWBJ-GXFFZTMASA-N -2 3 365.415 0.628 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c(C)o1 ZINC000826272575 669488977 /nfs/dbraw/zinc/48/89/77/669488977.db2.gz QJSVOCYWCPGZHM-UHFFFAOYSA-N -2 3 350.360 0.534 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c(C)o1 ZINC000826272575 669488979 /nfs/dbraw/zinc/48/89/79/669488979.db2.gz QJSVOCYWCPGZHM-UHFFFAOYSA-N -2 3 350.360 0.534 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])c(F)c1 ZINC000809224067 669614435 /nfs/dbraw/zinc/61/44/35/669614435.db2.gz JINUHFSPZOLOPZ-AWEZNQCLSA-N -2 3 363.363 0.364 20 0 FCADHL CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000812319792 669796291 /nfs/dbraw/zinc/79/62/91/669796291.db2.gz RUUTYHINLWKZMM-UHFFFAOYSA-N -2 3 364.387 0.351 20 0 FCADHL CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000812449594 669805367 /nfs/dbraw/zinc/80/53/67/669805367.db2.gz RJKMZTDSMONUKX-SSDOTTSWSA-N -2 3 366.779 0.290 20 0 FCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000833722027 669937394 /nfs/dbraw/zinc/93/73/94/669937394.db2.gz XEJWJSQUBZVHAR-AWEZNQCLSA-N -2 3 363.363 0.770 20 0 FCADHL Cn1ncc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000840891990 670524628 /nfs/dbraw/zinc/52/46/28/670524628.db2.gz WUIZDPMGHXULMV-UHFFFAOYSA-N -2 3 360.342 0.703 20 0 FCADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c(C)c1Cl ZINC000841783079 670610062 /nfs/dbraw/zinc/61/00/62/670610062.db2.gz LTASRMLVFPABMI-NSHDSACASA-N -2 3 371.820 0.610 20 0 FCADHL CNC(=O)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000844893878 670953546 /nfs/dbraw/zinc/95/35/46/670953546.db2.gz ZYDFTOJHKVTQOQ-UHFFFAOYSA-N -2 3 371.234 0.623 20 0 FCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000846003722 671065525 /nfs/dbraw/zinc/06/55/25/671065525.db2.gz LQZVFSDBXNKDSW-UHFFFAOYSA-N -2 3 355.185 0.934 20 0 FCADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c(C)c1Cl ZINC000849220448 671322384 /nfs/dbraw/zinc/32/23/84/671322384.db2.gz BDHVBACSBINBFS-RXMQYKEDSA-N -2 3 357.793 0.220 20 0 FCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-] ZINC000849221420 671322599 /nfs/dbraw/zinc/32/25/99/671322599.db2.gz OQEKVIBOHGYVGT-SSDOTTSWSA-N -2 3 372.168 0.321 20 0 FCADHL C[C@@H](O)C1([N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]C2([C@@H](C)O)CC2)CC1 ZINC000856129977 671678254 /nfs/dbraw/zinc/67/82/54/671678254.db2.gz ZVTPLZVDFDTZBE-HTQZYQBOSA-N -2 3 356.316 0.316 20 0 FCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-] ZINC000863407952 672122143 /nfs/dbraw/zinc/12/21/43/672122143.db2.gz LDKGFIYDPLCNRN-SSDOTTSWSA-N -2 3 364.763 0.232 20 0 FCADHL C[C@@H]1[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088719847 1193861889 /nfs/dbraw/zinc/86/18/89/1193861889.db2.gz LEEPIXIAIFOKDG-PWSUYJOCSA-N -2 3 368.397 0.745 20 0 FCADHL CN(C)CCN(CC(=O)[O-])C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000766938275 1199105511 /nfs/dbraw/zinc/10/55/11/1199105511.db2.gz KPXHSLRURPVVDW-CQSZACIVSA-N -2 3 362.386 0.181 20 0 FCADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1c([O-])c(C)ncc1CO ZINC001147834049 1204811583 /nfs/dbraw/zinc/81/15/83/1204811583.db2.gz LEUSWNBCVYJJLX-UHFFFAOYSA-N -2 3 363.326 0.742 20 0 FCADHL CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568072 1206481810 /nfs/dbraw/zinc/48/18/10/1206481810.db2.gz LJKCTPVBBWMLGG-UHFFFAOYSA-N -2 3 371.386 0.827 20 0 FCADHL CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568072 1206481816 /nfs/dbraw/zinc/48/18/16/1206481816.db2.gz LJKCTPVBBWMLGG-UHFFFAOYSA-N -2 3 371.386 0.827 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]2C)c1[O-] ZINC000957942799 1213369518 /nfs/dbraw/zinc/36/95/18/1213369518.db2.gz PEZCALBNWHCGSM-GMSGAONNSA-N -2 3 360.374 0.118 20 0 FCADHL O=C([O-])C[C@H](O)C(=O)Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)CC2 ZINC001226614895 1225849146 /nfs/dbraw/zinc/84/91/46/1225849146.db2.gz MMZKOKVZJWBEFV-AWEZNQCLSA-N -2 3 373.365 0.482 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC000939218664 1246010318 /nfs/dbraw/zinc/01/03/18/1246010318.db2.gz BOHIXZGVPWMANA-MWLCHTKSSA-N -2 3 357.370 0.482 20 0 FCADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549284290 1267887487 /nfs/dbraw/zinc/88/74/87/1267887487.db2.gz VMEMQUBRPQZLDE-APPDUMDISA-N -2 3 350.419 0.111 20 0 FCADHL Cc1c(C(=O)NCc2nc([O-])cc(=O)[n-]2)nnn1Cc1ccc(F)cc1 ZINC001557702495 1268968333 /nfs/dbraw/zinc/96/83/33/1268968333.db2.gz IKIFTJBKEYEIEV-UHFFFAOYSA-N -2 3 358.333 0.905 20 0 FCADHL C[C@H](C[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1[O-] ZINC001574541979 1271322917 /nfs/dbraw/zinc/32/29/17/1271322917.db2.gz CRJRTXQGQLFYLN-WDEREUQCSA-N -2 3 368.401 0.793 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575355430 1271984789 /nfs/dbraw/zinc/98/47/89/1271984789.db2.gz GXKGFOPUIYIIOB-RKDXNWHRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575355430 1271984799 /nfs/dbraw/zinc/98/47/99/1271984799.db2.gz GXKGFOPUIYIIOB-RKDXNWHRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001575470157 1272141583 /nfs/dbraw/zinc/14/15/83/1272141583.db2.gz BDXWMBDGLDUGKO-SSDOTTSWSA-N -2 3 361.374 0.830 20 0 FCADHL C[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1nn(C)cc1[O-] ZINC001575492441 1272167039 /nfs/dbraw/zinc/16/70/39/1272167039.db2.gz WQOJUGGMOWSXRZ-NXEZZACHSA-N -2 3 357.374 0.951 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575843764 1272517721 /nfs/dbraw/zinc/51/77/21/1272517721.db2.gz OOLJRIIGYAUDIB-INIZCTEOSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575843764 1272517728 /nfs/dbraw/zinc/51/77/28/1272517728.db2.gz OOLJRIIGYAUDIB-INIZCTEOSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1ncccc1[O-] ZINC001576060153 1272800133 /nfs/dbraw/zinc/80/01/33/1272800133.db2.gz PXUOLTCDEFIJFS-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1ncccc1[O-] ZINC001576060153 1272800147 /nfs/dbraw/zinc/80/01/47/1272800147.db2.gz PXUOLTCDEFIJFS-UWVGGRQHSA-N -2 3 367.373 0.472 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576919536 1273940897 /nfs/dbraw/zinc/94/08/97/1273940897.db2.gz SXFSLEBSHFOVSC-SNVBAGLBSA-N -2 3 370.373 0.234 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576919536 1273940903 /nfs/dbraw/zinc/94/09/03/1273940903.db2.gz SXFSLEBSHFOVSC-SNVBAGLBSA-N -2 3 370.373 0.234 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(NCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001580744766 1278855293 /nfs/dbraw/zinc/85/52/93/1278855293.db2.gz NQCRXRGPFZHCDP-UHFFFAOYSA-N -2 3 355.362 0.250 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(NCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001580744766 1278855298 /nfs/dbraw/zinc/85/52/98/1278855298.db2.gz NQCRXRGPFZHCDP-UHFFFAOYSA-N -2 3 355.362 0.250 20 0 FCADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)n1 ZINC001580763826 1278887758 /nfs/dbraw/zinc/88/77/58/1278887758.db2.gz GBQJYFWTRTXEKX-UHFFFAOYSA-N -2 3 370.373 0.745 20 0 FCADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)n1 ZINC001580763826 1278887772 /nfs/dbraw/zinc/88/77/72/1278887772.db2.gz GBQJYFWTRTXEKX-UHFFFAOYSA-N -2 3 370.373 0.745 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001578950356 1276494919 /nfs/dbraw/zinc/49/49/19/1276494919.db2.gz WVBFKIPKGGGSSM-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001578950356 1276494927 /nfs/dbraw/zinc/49/49/27/1276494927.db2.gz WVBFKIPKGGGSSM-SNVBAGLBSA-N -2 3 367.373 0.108 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)c1ncc(-c2nnn[n-]2)cc1Br ZINC001579268438 1277067842 /nfs/dbraw/zinc/06/78/42/1277067842.db2.gz UKDPTAKYHIOKPD-UHFFFAOYSA-N -2 3 353.140 0.749 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)c1ncc(-c2nn[n-]n2)cc1Br ZINC001579268438 1277067848 /nfs/dbraw/zinc/06/78/48/1277067848.db2.gz UKDPTAKYHIOKPD-UHFFFAOYSA-N -2 3 353.140 0.749 20 0 FCADHL COC(=O)C(F)(F)C[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001579437802 1277311557 /nfs/dbraw/zinc/31/15/57/1277311557.db2.gz YAIXFXNFLLZKSO-UHFFFAOYSA-N -2 3 365.293 0.092 20 0 FCADHL COC(=O)C[C@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)(C)C ZINC001579446619 1277332931 /nfs/dbraw/zinc/33/29/31/1277332931.db2.gz YAYOAVCYRDHVND-NSHDSACASA-N -2 3 374.405 0.682 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001579474562 1277378739 /nfs/dbraw/zinc/37/87/39/1277378739.db2.gz LJESUHQDDJCWGR-GFCCVEGCSA-N -2 3 363.355 0.652 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001579474562 1277378748 /nfs/dbraw/zinc/37/87/48/1277378748.db2.gz LJESUHQDDJCWGR-GFCCVEGCSA-N -2 3 363.355 0.652 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001579885554 1277950560 /nfs/dbraw/zinc/95/05/60/1277950560.db2.gz LOFWLEOQCVJZQQ-SECBINFHSA-N -2 3 373.373 0.571 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001603203141 1287329768 /nfs/dbraw/zinc/32/97/68/1287329768.db2.gz OSZDANNKSUEOKP-SNVBAGLBSA-N -3 3 353.360 0.028 20 0 FCADHL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001603203141 1287329777 /nfs/dbraw/zinc/32/97/77/1287329777.db2.gz OSZDANNKSUEOKP-SNVBAGLBSA-N -3 3 353.360 0.028 20 0 FCADHL CC(C)[C@@H](CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)[O-] ZINC001603217173 1287334706 /nfs/dbraw/zinc/33/47/06/1287334706.db2.gz ZWZDZFNAHUQGKO-LLVKDONJSA-N -2 3 362.394 0.330 20 0 FCADHL CC(C)[C@@H](CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC001603217173 1287334710 /nfs/dbraw/zinc/33/47/10/1287334710.db2.gz ZWZDZFNAHUQGKO-LLVKDONJSA-N -2 3 362.394 0.330 20 0 FCADHL Cc1n[nH]c(C(=O)NCCN(C)c2nc(C)ccc2-c2nn[n-]n2)c1[O-] ZINC001581062504 1279314387 /nfs/dbraw/zinc/31/43/87/1279314387.db2.gz TZMBMWHPWUHBBJ-UHFFFAOYSA-N -2 3 357.378 0.173 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001581075084 1279327535 /nfs/dbraw/zinc/32/75/35/1279327535.db2.gz XNJRMKOMDKGCBN-LLVKDONJSA-N -2 3 366.385 0.679 20 0 FCADHL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001603380938 1287364247 /nfs/dbraw/zinc/36/42/47/1287364247.db2.gz WDDPHCWAODGRGW-SNVBAGLBSA-N -2 3 350.310 0.170 20 0 FCADHL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)[O-] ZINC001603380938 1287364252 /nfs/dbraw/zinc/36/42/52/1287364252.db2.gz WDDPHCWAODGRGW-SNVBAGLBSA-N -2 3 350.310 0.170 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)c1[O-] ZINC001581390656 1279820177 /nfs/dbraw/zinc/82/01/77/1279820177.db2.gz AVJKEKAPXCOTQQ-SSDOTTSWSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)c1[O-] ZINC001581390656 1279820184 /nfs/dbraw/zinc/82/01/84/1279820184.db2.gz AVJKEKAPXCOTQQ-SSDOTTSWSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)c1[O-] ZINC001581391568 1279821822 /nfs/dbraw/zinc/82/18/22/1279821822.db2.gz UIIJFPHWSYVSMH-ZETCQYMHSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)c1[O-] ZINC001581391814 1279824272 /nfs/dbraw/zinc/82/42/72/1279824272.db2.gz XNYHPLMAQSSKJA-HTQZYQBOSA-N -2 3 372.393 0.403 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)CNc2cccc(F)c2-c2nn[n-]n2)c1[O-] ZINC001581392497 1279826955 /nfs/dbraw/zinc/82/69/55/1279826955.db2.gz IYBKEDKYHUUPOZ-SSDOTTSWSA-N -2 3 360.353 0.973 20 0 FCADHL Cn1cnc(S(=O)(=O)[N-]Cc2ccnc(-c3nnn[n-]3)c2)c1Cl ZINC001581808700 1280548045 /nfs/dbraw/zinc/54/80/45/1280548045.db2.gz NXRIEGNHXWNCOF-UHFFFAOYSA-N -2 3 354.783 0.127 20 0 FCADHL CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603601970 1287434771 /nfs/dbraw/zinc/43/47/71/1287434771.db2.gz GKPURLRFYAKNQP-GXFFZTMASA-N -2 3 374.401 0.517 20 0 FCADHL CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603601970 1287434780 /nfs/dbraw/zinc/43/47/80/1287434780.db2.gz GKPURLRFYAKNQP-GXFFZTMASA-N -2 3 374.401 0.517 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001582185349 1281165004 /nfs/dbraw/zinc/16/50/04/1281165004.db2.gz HLCVATCOYAFXRU-UHFFFAOYSA-N -2 3 371.748 0.543 20 0 FCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001582185349 1281165007 /nfs/dbraw/zinc/16/50/07/1281165007.db2.gz HLCVATCOYAFXRU-UHFFFAOYSA-N -2 3 371.748 0.543 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001603830382 1287509069 /nfs/dbraw/zinc/50/90/69/1287509069.db2.gz IKOJWEKREDMLJZ-VXNVDRBHSA-N -2 3 355.351 0.490 20 0 FCADHL O=C(NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582463193 1281584229 /nfs/dbraw/zinc/58/42/29/1281584229.db2.gz JGWGYYJJXCVLEC-JTQLQIEISA-N -2 3 367.373 0.014 20 0 FCADHL O=C(NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582463193 1281584237 /nfs/dbraw/zinc/58/42/37/1281584237.db2.gz JGWGYYJJXCVLEC-JTQLQIEISA-N -2 3 367.373 0.014 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001603830181 1287509242 /nfs/dbraw/zinc/50/92/42/1287509242.db2.gz HAMKMETUWJIOPL-GZMMTYOYSA-N -2 3 369.378 0.631 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001603830181 1287509249 /nfs/dbraw/zinc/50/92/49/1287509249.db2.gz HAMKMETUWJIOPL-GZMMTYOYSA-N -2 3 369.378 0.631 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)CC[C@@H]1C(=O)[O-] ZINC001603912889 1287529725 /nfs/dbraw/zinc/52/97/25/1287529725.db2.gz LQVDWYUARSKJBL-YUMQZZPRSA-N -2 3 364.387 0.436 20 0 FCADHL C[C@H]1CN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)CC[C@@H]1C(=O)[O-] ZINC001603912889 1287529730 /nfs/dbraw/zinc/52/97/30/1287529730.db2.gz LQVDWYUARSKJBL-YUMQZZPRSA-N -2 3 364.387 0.436 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582608166 1281799388 /nfs/dbraw/zinc/79/93/88/1281799388.db2.gz BAORKTLQVBZCNE-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582608166 1281799392 /nfs/dbraw/zinc/79/93/92/1281799392.db2.gz BAORKTLQVBZCNE-MGCOHNPYSA-N -2 3 367.373 0.378 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001582612591 1281807553 /nfs/dbraw/zinc/80/75/53/1281807553.db2.gz CIQWGZRFDZNCTE-KYZUINATSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001582612591 1281807555 /nfs/dbraw/zinc/80/75/55/1281807555.db2.gz CIQWGZRFDZNCTE-KYZUINATSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1)c1ccccc1[O-] ZINC001582613731 1281809274 /nfs/dbraw/zinc/80/92/74/1281809274.db2.gz SECOZUVURPMCRU-MGCOHNPYSA-N -2 3 352.358 0.157 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](O)CC(=O)[O-])ccc1F ZINC001603904849 1287529285 /nfs/dbraw/zinc/52/92/85/1287529285.db2.gz IMHDHBXKOFSTNY-JTQLQIEISA-N -2 3 362.379 0.078 20 0 FCADHL CC(C)O[C@@]1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCOC1 ZINC001603913805 1287529984 /nfs/dbraw/zinc/52/99/84/1287529984.db2.gz ROORHZBYMSWTTJ-GFCCVEGCSA-N -2 3 350.418 0.704 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001582751495 1281976258 /nfs/dbraw/zinc/97/62/58/1281976258.db2.gz IVNAKMQDSYNGLX-UHFFFAOYSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001582751495 1281976259 /nfs/dbraw/zinc/97/62/59/1281976259.db2.gz IVNAKMQDSYNGLX-UHFFFAOYSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001582751758 1281976392 /nfs/dbraw/zinc/97/63/92/1281976392.db2.gz VIPVEBZQIYGNML-LLVKDONJSA-N -2 3 366.385 0.937 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001582751758 1281976394 /nfs/dbraw/zinc/97/63/94/1281976394.db2.gz VIPVEBZQIYGNML-LLVKDONJSA-N -2 3 366.385 0.937 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001582751563 1281976423 /nfs/dbraw/zinc/97/64/23/1281976423.db2.gz LUSMMPNEYQVUKU-NSHDSACASA-N -2 3 352.358 0.689 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001582751563 1281976426 /nfs/dbraw/zinc/97/64/26/1281976426.db2.gz LUSMMPNEYQVUKU-NSHDSACASA-N -2 3 352.358 0.689 20 0 FCADHL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001582789756 1282007136 /nfs/dbraw/zinc/00/71/36/1282007136.db2.gz ABEFFLGJISLZPF-UHFFFAOYSA-N -2 3 357.355 0.111 20 0 FCADHL O=c1cc(CN2CCOC[C@@H]2CC2CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814284 1282035858 /nfs/dbraw/zinc/03/58/58/1282035858.db2.gz CSYRNIAYWUBJPO-LBPRGKRZSA-N -2 3 356.390 0.616 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001604009499 1287553498 /nfs/dbraw/zinc/55/34/98/1287553498.db2.gz PGKXGQYJSYGXHO-VIFPVBQESA-N -2 3 371.394 0.767 20 0 FCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001604009499 1287553503 /nfs/dbraw/zinc/55/35/03/1287553503.db2.gz PGKXGQYJSYGXHO-VIFPVBQESA-N -2 3 371.394 0.767 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001604096294 1287569048 /nfs/dbraw/zinc/56/90/48/1287569048.db2.gz GRKQUMZMSLLUFB-GXSJLCMTSA-N -2 3 369.378 0.880 20 0 FCADHL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604095255 1287569086 /nfs/dbraw/zinc/56/90/86/1287569086.db2.gz AYSOIKWSRCIFIZ-STQMWFEESA-N -2 3 365.415 0.882 20 0 FCADHL CC(=O)CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001588786167 1282699099 /nfs/dbraw/zinc/69/90/99/1282699099.db2.gz KSEJWCVJMDZGCZ-UHFFFAOYSA-N -2 3 366.403 0.462 20 0 FCADHL CC(=O)CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001588786167 1282699114 /nfs/dbraw/zinc/69/91/14/1282699114.db2.gz KSEJWCVJMDZGCZ-UHFFFAOYSA-N -2 3 366.403 0.462 20 0 FCADHL CC(=O)[N-]S(=O)(=O)c1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001588869856 1282719481 /nfs/dbraw/zinc/71/94/81/1282719481.db2.gz KKPLXGPRPMXQFX-UHFFFAOYSA-N -2 3 364.156 0.593 20 0 FCADHL CC(=O)[N-]S(=O)(=O)c1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001588869856 1282719487 /nfs/dbraw/zinc/71/94/87/1282719487.db2.gz KKPLXGPRPMXQFX-UHFFFAOYSA-N -2 3 364.156 0.593 20 0 FCADHL CC(C)(C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)c1cccnc1 ZINC001589054937 1282785873 /nfs/dbraw/zinc/78/58/73/1282785873.db2.gz ZCIVOXDUCIASMR-UHFFFAOYSA-N -2 3 373.398 0.439 20 0 FCADHL CC(C)(C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001589054937 1282785879 /nfs/dbraw/zinc/78/58/79/1282785879.db2.gz ZCIVOXDUCIASMR-UHFFFAOYSA-N -2 3 373.398 0.439 20 0 FCADHL CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589097136 1282796766 /nfs/dbraw/zinc/79/67/66/1282796766.db2.gz XPLBGWAQCQENJF-LLVKDONJSA-N -2 3 368.419 0.241 20 0 FCADHL CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589097136 1282796772 /nfs/dbraw/zinc/79/67/72/1282796772.db2.gz XPLBGWAQCQENJF-LLVKDONJSA-N -2 3 368.419 0.241 20 0 FCADHL CC(C)[C@H](CNC(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1)C(=O)[O-] ZINC001589446397 1282884143 /nfs/dbraw/zinc/88/41/43/1282884143.db2.gz JDXHGKAHPAZRSZ-AWEZNQCLSA-N -2 3 374.401 0.996 20 0 FCADHL CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1cccc(F)c1-c1nnn[n-]1 ZINC001604306038 1287604445 /nfs/dbraw/zinc/60/44/45/1287604445.db2.gz FPFKGCZTCMEMLF-UHFFFAOYSA-N -2 3 374.380 0.999 20 0 FCADHL CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1cccc(F)c1-c1nn[n-]n1 ZINC001604306038 1287604455 /nfs/dbraw/zinc/60/44/55/1287604455.db2.gz FPFKGCZTCMEMLF-UHFFFAOYSA-N -2 3 374.380 0.999 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)cc1=O ZINC001589665171 1282937397 /nfs/dbraw/zinc/93/73/97/1282937397.db2.gz QXPQUDWYQZZMQM-UHFFFAOYSA-N -2 3 356.390 0.613 20 0 FCADHL CC(C)Cn1[n-]c(CC(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cc1=O ZINC001589665171 1282937407 /nfs/dbraw/zinc/93/74/07/1282937407.db2.gz QXPQUDWYQZZMQM-UHFFFAOYSA-N -2 3 356.390 0.613 20 0 FCADHL CC(C)S(=O)(=O)[N-]C(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001589759313 1282982841 /nfs/dbraw/zinc/98/28/41/1282982841.db2.gz NRQMHTGANNBXOJ-UHFFFAOYSA-N -2 3 353.379 0.892 20 0 FCADHL CC(C)S(=O)(=O)[N-]C(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001589759313 1282982850 /nfs/dbraw/zinc/98/28/50/1282982850.db2.gz NRQMHTGANNBXOJ-UHFFFAOYSA-N -2 3 353.379 0.892 20 0 FCADHL CC(C)[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)[O-] ZINC001589763144 1282987196 /nfs/dbraw/zinc/98/71/96/1282987196.db2.gz UZOUCXHRJWOZCJ-SNVBAGLBSA-N -2 3 366.765 0.684 20 0 FCADHL CC(C)[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)[O-] ZINC001589763144 1282987204 /nfs/dbraw/zinc/98/72/04/1282987204.db2.gz UZOUCXHRJWOZCJ-SNVBAGLBSA-N -2 3 366.765 0.684 20 0 FCADHL C[C@H](CCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589818727 1283055320 /nfs/dbraw/zinc/05/53/20/1283055320.db2.gz TUZCQSWYHZRSLR-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@H](CCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589818727 1283055328 /nfs/dbraw/zinc/05/53/28/1283055328.db2.gz TUZCQSWYHZRSLR-MRVPVSSYSA-N -2 3 357.367 0.785 20 0 FCADHL C[C@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589918880 1283130752 /nfs/dbraw/zinc/13/07/52/1283130752.db2.gz PSPBOEKBXBLAGA-WDEREUQCSA-N -2 3 360.374 0.128 20 0 FCADHL C[C@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589918880 1283130753 /nfs/dbraw/zinc/13/07/53/1283130753.db2.gz PSPBOEKBXBLAGA-WDEREUQCSA-N -2 3 360.374 0.128 20 0 FCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589980332 1283156205 /nfs/dbraw/zinc/15/62/05/1283156205.db2.gz LTHVXTKBAUWNFI-BDAKNGLRSA-N -2 3 355.362 0.833 20 0 FCADHL CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001589987899 1283159226 /nfs/dbraw/zinc/15/92/26/1283159226.db2.gz CWDKYASADMSMCJ-CQSZACIVSA-N -2 3 351.367 0.380 20 0 FCADHL CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001589987899 1283159235 /nfs/dbraw/zinc/15/92/35/1283159235.db2.gz CWDKYASADMSMCJ-CQSZACIVSA-N -2 3 351.367 0.380 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590071074 1283202021 /nfs/dbraw/zinc/20/20/21/1283202021.db2.gz GHTFYUWIKPNPKQ-HNNXBMFYSA-N -2 3 360.378 0.180 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590071074 1283202022 /nfs/dbraw/zinc/20/20/22/1283202022.db2.gz GHTFYUWIKPNPKQ-HNNXBMFYSA-N -2 3 360.378 0.180 20 0 FCADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CO1 ZINC001590083508 1283207367 /nfs/dbraw/zinc/20/73/67/1283207367.db2.gz HKYKRHRRVVLLIW-MRVPVSSYSA-N -2 3 359.358 0.991 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C(=O)[O-])CO1 ZINC001590105854 1283218400 /nfs/dbraw/zinc/21/84/00/1283218400.db2.gz CEAWJQHBJXLELX-NSHDSACASA-N -2 3 367.387 0.119 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)[O-])CO1 ZINC001590105854 1283218406 /nfs/dbraw/zinc/21/84/06/1283218406.db2.gz CEAWJQHBJXLELX-NSHDSACASA-N -2 3 367.387 0.119 20 0 FCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590142453 1283240417 /nfs/dbraw/zinc/24/04/17/1283240417.db2.gz CHSGTDZYIULOOO-LLVKDONJSA-N -2 3 361.353 0.966 20 0 FCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590142453 1283240421 /nfs/dbraw/zinc/24/04/21/1283240421.db2.gz CHSGTDZYIULOOO-LLVKDONJSA-N -2 3 361.353 0.966 20 0 FCADHL Cc1[n-]n(Cc2ccc(-c3nn[n-]n3)cc2)c(=O)c1[C@H]1CCS(=O)(=O)C1 ZINC001590160391 1283254294 /nfs/dbraw/zinc/25/42/94/1283254294.db2.gz AGEUDCWZPVNCJR-KBPBESRZSA-N -2 3 374.426 0.636 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001590166436 1283259746 /nfs/dbraw/zinc/25/97/46/1283259746.db2.gz ZPMVVNFBTBJVGN-IONNQARKSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001590166436 1283259751 /nfs/dbraw/zinc/25/97/51/1283259751.db2.gz ZPMVVNFBTBJVGN-IONNQARKSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590180554 1283284911 /nfs/dbraw/zinc/28/49/11/1283284911.db2.gz HPQAGCMDOYAORY-NOZJJQNGSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590180554 1283284922 /nfs/dbraw/zinc/28/49/22/1283284922.db2.gz HPQAGCMDOYAORY-NOZJJQNGSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC001590194307 1283302429 /nfs/dbraw/zinc/30/24/29/1283302429.db2.gz RXFXKEJBMTVNGM-LNLATYFQSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC001590194307 1283302444 /nfs/dbraw/zinc/30/24/44/1283302444.db2.gz RXFXKEJBMTVNGM-LNLATYFQSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)Nc2sccc2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001590262229 1283385844 /nfs/dbraw/zinc/38/58/44/1283385844.db2.gz BIUKZIPSLBIXHS-CBAPKCEASA-N -2 3 364.387 0.436 20 0 FCADHL C[C@H]1CCN(C(=O)C(=O)Nc2sccc2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001590262229 1283385853 /nfs/dbraw/zinc/38/58/53/1283385853.db2.gz BIUKZIPSLBIXHS-CBAPKCEASA-N -2 3 364.387 0.436 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@H](C(=O)[O-])C1 ZINC001590275645 1283403480 /nfs/dbraw/zinc/40/34/80/1283403480.db2.gz FHHZHFSYQLVCRC-KCJUWKMLSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@H](C(=O)[O-])C1 ZINC001590275645 1283403486 /nfs/dbraw/zinc/40/34/86/1283403486.db2.gz FHHZHFSYQLVCRC-KCJUWKMLSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC[C@H]1C(=O)[O-] ZINC001590315021 1283456521 /nfs/dbraw/zinc/45/65/21/1283456521.db2.gz LDGIYXBDVRNSKV-PSASIEDQSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[C@H]1C(=O)[O-] ZINC001590315021 1283456528 /nfs/dbraw/zinc/45/65/28/1283456528.db2.gz LDGIYXBDVRNSKV-PSASIEDQSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590324700 1283467630 /nfs/dbraw/zinc/46/76/30/1283467630.db2.gz PWHDBDCSFANJTH-MFKMUULPSA-N -2 3 365.415 0.485 20 0 FCADHL C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590324700 1283467633 /nfs/dbraw/zinc/46/76/33/1283467633.db2.gz PWHDBDCSFANJTH-MFKMUULPSA-N -2 3 365.415 0.485 20 0 FCADHL CCC(C)(C)[C@H](NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590372996 1283507796 /nfs/dbraw/zinc/50/77/96/1283507796.db2.gz JXCOAWRTDXGBNZ-SNVBAGLBSA-N -2 3 354.392 0.429 20 0 FCADHL CCC(C)(C)[C@H](NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590372996 1283507803 /nfs/dbraw/zinc/50/78/03/1283507803.db2.gz JXCOAWRTDXGBNZ-SNVBAGLBSA-N -2 3 354.392 0.429 20 0 FCADHL CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590385899 1283513730 /nfs/dbraw/zinc/51/37/30/1283513730.db2.gz UEJDOVRFDAYSLU-CQSZACIVSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590385899 1283513743 /nfs/dbraw/zinc/51/37/43/1283513743.db2.gz UEJDOVRFDAYSLU-CQSZACIVSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590386060 1283515014 /nfs/dbraw/zinc/51/50/14/1283515014.db2.gz WBIXCWFVYSKUNJ-AWEZNQCLSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590386060 1283515021 /nfs/dbraw/zinc/51/50/21/1283515021.db2.gz WBIXCWFVYSKUNJ-AWEZNQCLSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590396680 1283521496 /nfs/dbraw/zinc/52/14/96/1283521496.db2.gz NOBJLQTTXAEQKN-JOYOIKCWSA-N -2 3 353.404 0.987 20 0 FCADHL CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590396680 1283521507 /nfs/dbraw/zinc/52/15/07/1283521507.db2.gz NOBJLQTTXAEQKN-JOYOIKCWSA-N -2 3 353.404 0.987 20 0 FCADHL CC[C@H](CCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590436316 1283533481 /nfs/dbraw/zinc/53/34/81/1283533481.db2.gz MVHDUIDDGMCILN-LLVKDONJSA-N -2 3 353.404 0.787 20 0 FCADHL CC[C@H](CCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590436316 1283533490 /nfs/dbraw/zinc/53/34/90/1283533490.db2.gz MVHDUIDDGMCILN-LLVKDONJSA-N -2 3 353.404 0.787 20 0 FCADHL CC1(C)COc2c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cnn2C1 ZINC001604552319 1287657764 /nfs/dbraw/zinc/65/77/64/1287657764.db2.gz DXHKDVNUMAXBTD-ZETCQYMHSA-N -2 3 371.337 0.986 20 0 FCADHL CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590790321 1283845363 /nfs/dbraw/zinc/84/53/63/1283845363.db2.gz KVCBOUYYQYECBV-NWDGAFQWSA-N -2 3 351.388 0.238 20 0 FCADHL CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590790321 1283845373 /nfs/dbraw/zinc/84/53/73/1283845373.db2.gz KVCBOUYYQYECBV-NWDGAFQWSA-N -2 3 351.388 0.238 20 0 FCADHL CCc1cccc(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001590897010 1283952060 /nfs/dbraw/zinc/95/20/60/1283952060.db2.gz QPFVHGRCUNYTQL-UHFFFAOYSA-N -2 3 372.410 0.872 20 0 FCADHL CCc1cccc(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001590897010 1283952065 /nfs/dbraw/zinc/95/20/65/1283952065.db2.gz QPFVHGRCUNYTQL-UHFFFAOYSA-N -2 3 372.410 0.872 20 0 FCADHL CCn1ncn([N-]C(=O)c2cnc(C(F)(F)F)c(-c3nnn[n-]3)c2)c1=O ZINC001590970755 1284028220 /nfs/dbraw/zinc/02/82/20/1284028220.db2.gz FTBDCIORUHCAOV-UHFFFAOYSA-N -2 3 369.267 0.043 20 0 FCADHL CCn1ncn([N-]C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)c1=O ZINC001590970755 1284028231 /nfs/dbraw/zinc/02/82/31/1284028231.db2.gz FTBDCIORUHCAOV-UHFFFAOYSA-N -2 3 369.267 0.043 20 0 FCADHL CN(CCCNc1ccc(-c2nnn[n-]2)nn1)C(=O)c1ncccc1[O-] ZINC001591082016 1284151252 /nfs/dbraw/zinc/15/12/52/1284151252.db2.gz MMATWTUPDYSABK-UHFFFAOYSA-N -2 3 355.362 0.332 20 0 FCADHL CN(CCCNc1ccc(-c2nn[n-]n2)nn1)C(=O)c1ncccc1[O-] ZINC001591082016 1284151258 /nfs/dbraw/zinc/15/12/58/1284151258.db2.gz MMATWTUPDYSABK-UHFFFAOYSA-N -2 3 355.362 0.332 20 0 FCADHL CN(Cc1n[n-]c(=O)o1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001591151993 1284221461 /nfs/dbraw/zinc/22/14/61/1284221461.db2.gz MULFRMLPZDUOLK-LBPRGKRZSA-N -2 3 370.373 0.583 20 0 FCADHL CN(c1cccc(-c2nn[n-]n2)c1)[C@H]1CCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001591158425 1284231186 /nfs/dbraw/zinc/23/11/86/1284231186.db2.gz HGGLZCKGYYILSN-ZDUSSCGKSA-N -2 3 374.430 0.489 20 0 FCADHL COC(=O)C1CC2(C1)CN(c1ccc(-c3nn[n-]n3)cc1)C[C@H]2C(=O)[O-] ZINC001591249255 1284402888 /nfs/dbraw/zinc/40/28/88/1284402888.db2.gz NNFKGBBFZZTHRU-XKZABGERSA-N -2 3 357.370 0.957 20 0 FCADHL COC(=O)Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)n1 ZINC001591270318 1284423974 /nfs/dbraw/zinc/42/39/74/1284423974.db2.gz ZJAOKLAXBWCHBJ-UHFFFAOYSA-N -2 3 354.326 0.935 20 0 FCADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1nn(C)c(C)c1-c1nnn[n-]1 ZINC001591326913 1284471190 /nfs/dbraw/zinc/47/11/90/1284471190.db2.gz IVPCCUBJTPIAMT-JTQLQIEISA-N -2 3 357.440 0.711 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@](C)(C(=O)[O-])C1 ZINC001591361567 1284498159 /nfs/dbraw/zinc/49/81/59/1284498159.db2.gz NKLUBEACGOGFLR-KRTXAFLBSA-N -2 3 373.416 0.181 20 0 FCADHL CO[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001591363122 1284498927 /nfs/dbraw/zinc/49/89/27/1284498927.db2.gz SRHZKEFWMNQROW-MLGOLLRUSA-N -2 3 361.358 0.336 20 0 FCADHL COC[C@H]([N-]S(=O)(=O)c1cccnc1-c1nnn[n-]1)c1ccc(C)o1 ZINC001591382232 1284522705 /nfs/dbraw/zinc/52/27/05/1284522705.db2.gz GEQLNMGNYKEGCQ-JTQLQIEISA-N -2 3 364.387 0.829 20 0 FCADHL COC[C@H]([N-]S(=O)(=O)c1cccnc1-c1nn[n-]n1)c1ccc(C)o1 ZINC001591382232 1284522713 /nfs/dbraw/zinc/52/27/13/1284522713.db2.gz GEQLNMGNYKEGCQ-JTQLQIEISA-N -2 3 364.387 0.829 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001591386370 1284527080 /nfs/dbraw/zinc/52/70/80/1284527080.db2.gz XDLURLZXLIQWSH-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001591386370 1284527087 /nfs/dbraw/zinc/52/70/87/1284527087.db2.gz XDLURLZXLIQWSH-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC001604677569 1287724713 /nfs/dbraw/zinc/72/47/13/1287724713.db2.gz SKJQPFWYHAAWPM-KCJUWKMLSA-N -2 3 368.371 0.184 20 0 FCADHL CO[N-]C(=O)CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001591466940 1284635415 /nfs/dbraw/zinc/63/54/15/1284635415.db2.gz CHQVBDMFCKDDLK-UHFFFAOYSA-N -2 3 361.406 0.712 20 0 FCADHL CO[N-]C(=O)CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001591466940 1284635417 /nfs/dbraw/zinc/63/54/17/1284635417.db2.gz CHQVBDMFCKDDLK-UHFFFAOYSA-N -2 3 361.406 0.712 20 0 FCADHL CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001591473273 1284649403 /nfs/dbraw/zinc/64/94/03/1284649403.db2.gz XSFKJWIOHQFODG-OTSSQURYSA-N -2 3 359.358 0.848 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001591489981 1284666875 /nfs/dbraw/zinc/66/68/75/1284666875.db2.gz NIDVPYFGLGFBGL-UHFFFAOYSA-N -2 3 362.346 0.041 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001591489981 1284666888 /nfs/dbraw/zinc/66/68/88/1284666888.db2.gz NIDVPYFGLGFBGL-UHFFFAOYSA-N -2 3 362.346 0.041 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC001591506608 1284692124 /nfs/dbraw/zinc/69/21/24/1284692124.db2.gz QKGOPJVBVJGVSA-SECBINFHSA-N -2 3 367.387 0.361 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC001591506608 1284692139 /nfs/dbraw/zinc/69/21/39/1284692139.db2.gz QKGOPJVBVJGVSA-SECBINFHSA-N -2 3 367.387 0.361 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)C2CCOCC2)ccc1-c1nnn[n-]1 ZINC001591515709 1284706565 /nfs/dbraw/zinc/70/65/65/1284706565.db2.gz IAPYIAMMZBWYAU-UHFFFAOYSA-N -2 3 367.387 0.114 20 0 FCADHL COc1cc(C(=O)[N-]S(=O)(=O)C2CCOCC2)ccc1-c1nn[n-]n1 ZINC001591515709 1284706570 /nfs/dbraw/zinc/70/65/70/1284706570.db2.gz IAPYIAMMZBWYAU-UHFFFAOYSA-N -2 3 367.387 0.114 20 0 FCADHL COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)[N-]OC/C=C/Cl ZINC001591565601 1284743779 /nfs/dbraw/zinc/74/37/79/1284743779.db2.gz VRODHHBQJFDRBR-GORDUTHDSA-N -2 3 352.738 0.614 20 0 FCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]OC/C=C/Cl ZINC001591565601 1284743787 /nfs/dbraw/zinc/74/37/87/1284743787.db2.gz VRODHHBQJFDRBR-GORDUTHDSA-N -2 3 352.738 0.614 20 0 FCADHL COc1ccsc1S(=O)(=O)[N-]c1c(-c2nnn[n-]2)c(C)nn1C ZINC001591659466 1284788917 /nfs/dbraw/zinc/78/89/17/1284788917.db2.gz DFDZULBVBHPTOX-UHFFFAOYSA-N -2 3 355.405 0.780 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001591733814 1284862383 /nfs/dbraw/zinc/86/23/83/1284862383.db2.gz OZWVXOXCTGLXJB-PELKAZGASA-N -2 3 369.378 0.880 20 0 FCADHL Cc1c(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC001591824226 1284929393 /nfs/dbraw/zinc/92/93/93/1284929393.db2.gz NQZPKRPJFYJITN-GXSJLCMTSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1c(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC001591824226 1284929397 /nfs/dbraw/zinc/92/93/97/1284929397.db2.gz NQZPKRPJFYJITN-GXSJLCMTSA-N -2 3 372.385 0.683 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n1 ZINC001591855950 1284952368 /nfs/dbraw/zinc/95/23/68/1284952368.db2.gz UHSIBYRTHPTKND-UHFFFAOYSA-N -2 3 357.296 0.966 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n1 ZINC001591855950 1284952375 /nfs/dbraw/zinc/95/23/75/1284952375.db2.gz UHSIBYRTHPTKND-UHFFFAOYSA-N -2 3 357.296 0.966 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC001591875630 1284964050 /nfs/dbraw/zinc/96/40/50/1284964050.db2.gz IIGWSIOKQRCJFM-SNVBAGLBSA-N -2 3 366.403 0.056 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC001591875630 1284964062 /nfs/dbraw/zinc/96/40/62/1284964062.db2.gz IIGWSIOKQRCJFM-SNVBAGLBSA-N -2 3 366.403 0.056 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC001591875628 1284964491 /nfs/dbraw/zinc/96/44/91/1284964491.db2.gz IIGWSIOKQRCJFM-JTQLQIEISA-N -2 3 366.403 0.056 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC001591875628 1284964494 /nfs/dbraw/zinc/96/44/94/1284964494.db2.gz IIGWSIOKQRCJFM-JTQLQIEISA-N -2 3 366.403 0.056 20 0 FCADHL Cc1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc(-c2nnn[n-]2)c1 ZINC001592013430 1285068227 /nfs/dbraw/zinc/06/82/27/1285068227.db2.gz NSGRCVZFHWTKPK-LBPRGKRZSA-N -2 3 360.374 0.587 20 0 FCADHL Cc1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc(-c2nn[n-]n2)c1 ZINC001592013430 1285068230 /nfs/dbraw/zinc/06/82/30/1285068230.db2.gz NSGRCVZFHWTKPK-LBPRGKRZSA-N -2 3 360.374 0.587 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](C)CO1 ZINC001592109468 1285142667 /nfs/dbraw/zinc/14/26/67/1285142667.db2.gz MUUKOUSAWXUVEU-LDYMZIIASA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](C)CO1 ZINC001592109468 1285142671 /nfs/dbraw/zinc/14/26/71/1285142671.db2.gz MUUKOUSAWXUVEU-LDYMZIIASA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC001592109367 1285144359 /nfs/dbraw/zinc/14/43/59/1285144359.db2.gz HTVBBDDIWQBKSH-NHYWBVRUSA-N -2 3 363.399 0.407 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC001592109367 1285144363 /nfs/dbraw/zinc/14/43/63/1285144363.db2.gz HTVBBDDIWQBKSH-NHYWBVRUSA-N -2 3 363.399 0.407 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCC(C)(C)C(=O)[O-] ZINC001592110584 1285145369 /nfs/dbraw/zinc/14/53/69/1285145369.db2.gz SMZFEFCCKIEBIE-UHFFFAOYSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCC(C)(C)C(=O)[O-] ZINC001592110584 1285145376 /nfs/dbraw/zinc/14/53/76/1285145376.db2.gz SMZFEFCCKIEBIE-UHFFFAOYSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1ccc(N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)nc1-c1nnn[n-]1 ZINC001592175365 1285168027 /nfs/dbraw/zinc/16/80/27/1285168027.db2.gz QSJHNRMXZCQWGT-RYUDHWBXSA-N -2 3 368.401 0.998 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(-c2nnn[n-]2)c1 ZINC001592189442 1285173607 /nfs/dbraw/zinc/17/36/07/1285173607.db2.gz CBWBYFGSZVAAHM-WDEREUQCSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(-c2nn[n-]n2)c1 ZINC001592189442 1285173614 /nfs/dbraw/zinc/17/36/14/1285173614.db2.gz CBWBYFGSZVAAHM-WDEREUQCSA-N -2 3 365.415 0.906 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(-c2nnn[n-]2)c1 ZINC001592191312 1285176006 /nfs/dbraw/zinc/17/60/06/1285176006.db2.gz HJENUDVASKMDMU-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(-c2nn[n-]n2)c1 ZINC001592191312 1285176011 /nfs/dbraw/zinc/17/60/11/1285176011.db2.gz HJENUDVASKMDMU-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001592236923 1285194194 /nfs/dbraw/zinc/19/41/94/1285194194.db2.gz MSGDBTILRLYWIP-UHFFFAOYSA-N -2 3 374.382 0.454 20 0 FCADHL Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001592236923 1285194201 /nfs/dbraw/zinc/19/42/01/1285194201.db2.gz MSGDBTILRLYWIP-UHFFFAOYSA-N -2 3 374.382 0.454 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001592239735 1285195088 /nfs/dbraw/zinc/19/50/88/1285195088.db2.gz SDOXVVOLUHQKQE-SNVBAGLBSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001592239735 1285195094 /nfs/dbraw/zinc/19/50/94/1285195094.db2.gz SDOXVVOLUHQKQE-SNVBAGLBSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)c1-c1nnn[n-]1 ZINC001592240031 1285195602 /nfs/dbraw/zinc/19/56/02/1285195602.db2.gz VBRXHLPIDHLUSL-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)c1-c1nn[n-]n1 ZINC001592240031 1285195606 /nfs/dbraw/zinc/19/56/06/1285195606.db2.gz VBRXHLPIDHLUSL-UHFFFAOYSA-N -2 3 363.355 0.945 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@H](C)[C@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001592239498 1285196243 /nfs/dbraw/zinc/19/62/43/1285196243.db2.gz RBASMEJZQXPINV-CABZTGNLSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC[C@H](C)[C@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001592239498 1285196247 /nfs/dbraw/zinc/19/62/47/1285196247.db2.gz RBASMEJZQXPINV-CABZTGNLSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)CCCC2)no1 ZINC001592358483 1285272614 /nfs/dbraw/zinc/27/26/14/1285272614.db2.gz JJVNOGHYSSZMTN-UHFFFAOYSA-N -2 3 365.375 0.899 20 0 FCADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)o3)CCCC2)no1 ZINC001592358483 1285272621 /nfs/dbraw/zinc/27/26/21/1285272621.db2.gz JJVNOGHYSSZMTN-UHFFFAOYSA-N -2 3 365.375 0.899 20 0 FCADHL Cc1nc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592377873 1285292357 /nfs/dbraw/zinc/29/23/57/1285292357.db2.gz VVGPLUYUMCEUEB-UHFFFAOYSA-N -2 3 361.362 0.126 20 0 FCADHL Cc1nc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592377873 1285292360 /nfs/dbraw/zinc/29/23/60/1285292360.db2.gz VVGPLUYUMCEUEB-UHFFFAOYSA-N -2 3 361.362 0.126 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1-c1nnn[n-]1 ZINC001592412285 1285328356 /nfs/dbraw/zinc/32/83/56/1285328356.db2.gz GYWKPJOOVYAJNY-CQSZACIVSA-N -2 3 366.403 0.446 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001592412285 1285328368 /nfs/dbraw/zinc/32/83/68/1285328368.db2.gz GYWKPJOOVYAJNY-CQSZACIVSA-N -2 3 366.403 0.446 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC001592412667 1285330091 /nfs/dbraw/zinc/33/00/91/1285330091.db2.gz IWPQRSZKIWRNAU-KWQFWETISA-N -2 3 366.403 0.301 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001592412667 1285330105 /nfs/dbraw/zinc/33/01/05/1285330105.db2.gz IWPQRSZKIWRNAU-KWQFWETISA-N -2 3 366.403 0.301 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)cc1-c1nnn[n-]1 ZINC001592414257 1285334516 /nfs/dbraw/zinc/33/45/16/1285334516.db2.gz CDYRAYJUKNDQNG-UHFFFAOYSA-N -2 3 361.391 0.227 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)cc1-c1nn[n-]n1 ZINC001592414257 1285334524 /nfs/dbraw/zinc/33/45/24/1285334524.db2.gz CDYRAYJUKNDQNG-UHFFFAOYSA-N -2 3 361.391 0.227 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)cc1-c1nnn[n-]1 ZINC001592415372 1285337025 /nfs/dbraw/zinc/33/70/25/1285337025.db2.gz XABUBWOHYVHURF-UHFFFAOYSA-N -2 3 360.403 0.832 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)cc1-c1nn[n-]n1 ZINC001592415372 1285337038 /nfs/dbraw/zinc/33/70/38/1285337038.db2.gz XABUBWOHYVHURF-UHFFFAOYSA-N -2 3 360.403 0.832 20 0 FCADHL Cc1nnc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1C ZINC001592443155 1285381059 /nfs/dbraw/zinc/38/10/59/1285381059.db2.gz XXKKZBSMBRZDPG-UHFFFAOYSA-N -2 3 370.345 0.060 20 0 FCADHL Cc1onc(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1-c1nnn[n-]1 ZINC001592515348 1285439274 /nfs/dbraw/zinc/43/92/74/1285439274.db2.gz DPOHMMZFPDYDLD-QMMMGPOBSA-N -2 3 360.334 0.200 20 0 FCADHL Cc1onc(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1-c1nn[n-]n1 ZINC001592515348 1285439279 /nfs/dbraw/zinc/43/92/79/1285439279.db2.gz DPOHMMZFPDYDLD-QMMMGPOBSA-N -2 3 360.334 0.200 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001604827174 1287788123 /nfs/dbraw/zinc/78/81/23/1287788123.db2.gz XAPDQKIKXHZATB-UHFFFAOYSA-N -2 3 359.346 0.359 20 0 FCADHL CN(Cc1nc(=O)o[n-]1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001604827174 1287788129 /nfs/dbraw/zinc/78/81/29/1287788129.db2.gz XAPDQKIKXHZATB-UHFFFAOYSA-N -2 3 359.346 0.359 20 0 FCADHL Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001592569597 1285486077 /nfs/dbraw/zinc/48/60/77/1285486077.db2.gz HTHOGCYMSLNCJM-MNOVXSKESA-N -2 3 354.374 0.690 20 0 FCADHL Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001592569597 1285486081 /nfs/dbraw/zinc/48/60/81/1285486081.db2.gz HTHOGCYMSLNCJM-MNOVXSKESA-N -2 3 354.374 0.690 20 0 FCADHL Cn1ncc2c1N(Cc1ccc(-c3nnn[n-]3)s1)S(=O)(=O)C=C2[O-] ZINC001592603731 1285540389 /nfs/dbraw/zinc/54/03/89/1285540389.db2.gz TZBYOYYVFHWFKU-UHFFFAOYSA-N -2 3 365.400 0.194 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC001609260095 1289024004 /nfs/dbraw/zinc/02/40/04/1289024004.db2.gz HXRZBBMCVGEXAK-UHFFFAOYSA-N -2 3 351.396 0.234 20 0 FCADHL O=C(C=Cc1ccncn1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592801480 1285722960 /nfs/dbraw/zinc/72/29/60/1285722960.db2.gz BIKHMCCOTVBGCF-WAYWQWQTSA-N -2 3 371.382 0.316 20 0 FCADHL O=C(C=Cc1ccncn1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592801480 1285722963 /nfs/dbraw/zinc/72/29/63/1285722963.db2.gz BIKHMCCOTVBGCF-WAYWQWQTSA-N -2 3 371.382 0.316 20 0 FCADHL O=C(COC1CCCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001592884549 1285791508 /nfs/dbraw/zinc/79/15/08/1285791508.db2.gz JSBIXUIYDBFHFP-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(COC1CCCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001592884549 1285791516 /nfs/dbraw/zinc/79/15/16/1285791516.db2.gz JSBIXUIYDBFHFP-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(COC1CCCC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001592884578 1285791685 /nfs/dbraw/zinc/79/16/85/1285791685.db2.gz PLTNIFZSMNHCPW-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(COC1CCCC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001592884578 1285791693 /nfs/dbraw/zinc/79/16/93/1285791693.db2.gz PLTNIFZSMNHCPW-UHFFFAOYSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(COCC1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592886692 1285793060 /nfs/dbraw/zinc/79/30/60/1285793060.db2.gz DDGOPQGCSYKXLP-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL O=C(COCC1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592886692 1285793065 /nfs/dbraw/zinc/79/30/65/1285793065.db2.gz DDGOPQGCSYKXLP-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL O=C(COCC1CCCC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592886783 1285793673 /nfs/dbraw/zinc/79/36/73/1285793673.db2.gz SSICBHKHUQULTO-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL O=C(COCC1CCCC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592886783 1285793677 /nfs/dbraw/zinc/79/36/77/1285793677.db2.gz SSICBHKHUQULTO-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[N-]OC/C=C\Cl ZINC001592901216 1285802388 /nfs/dbraw/zinc/80/23/88/1285802388.db2.gz FUXXPYTZRRJRHR-BHQIHCQQSA-N -2 3 371.806 0.582 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[N-]OC/C=C\Cl ZINC001592901216 1285802395 /nfs/dbraw/zinc/80/23/95/1285802395.db2.gz FUXXPYTZRRJRHR-BHQIHCQQSA-N -2 3 371.806 0.582 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[N-]OCC1CCC1 ZINC001592901925 1285802948 /nfs/dbraw/zinc/80/29/48/1285802948.db2.gz MXAOGFKTBLSQFH-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[N-]OCC1CCC1 ZINC001592901925 1285802959 /nfs/dbraw/zinc/80/29/59/1285802959.db2.gz MXAOGFKTBLSQFH-UHFFFAOYSA-N -2 3 365.415 0.629 20 0 FCADHL O=C([O-])[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001593005126 1285886120 /nfs/dbraw/zinc/88/61/20/1285886120.db2.gz TVIFAXZKVPBOFO-LBPRGKRZSA-N -2 3 358.358 0.422 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001593169336 1286026130 /nfs/dbraw/zinc/02/61/30/1286026130.db2.gz PXIQPXSDVMMYCY-WFASDCNBSA-N -2 3 358.402 0.920 20 0 FCADHL O=C(N=c1nn[n-]n1C1CC1)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001593269775 1286056273 /nfs/dbraw/zinc/05/62/73/1286056273.db2.gz NCUOYQCTGOBOMY-UHFFFAOYSA-N -2 3 364.329 0.517 20 0 FCADHL O=C(N=c1nn[n-]n1C1CC1)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001593269775 1286056275 /nfs/dbraw/zinc/05/62/75/1286056275.db2.gz NCUOYQCTGOBOMY-UHFFFAOYSA-N -2 3 364.329 0.517 20 0 FCADHL O=C([O-])[C@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCOC1 ZINC001593272843 1286057550 /nfs/dbraw/zinc/05/75/50/1286057550.db2.gz COEDPMWLRTYCKW-LBPRGKRZSA-N -2 3 373.778 0.042 20 0 FCADHL O=C([O-])[C@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCOC1 ZINC001593272843 1286057552 /nfs/dbraw/zinc/05/75/52/1286057552.db2.gz COEDPMWLRTYCKW-LBPRGKRZSA-N -2 3 373.778 0.042 20 0 FCADHL O=C([O-])C1CCC(NS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001593272870 1286057679 /nfs/dbraw/zinc/05/76/79/1286057679.db2.gz DBYYGGMSUCZUSD-UHFFFAOYSA-N -2 3 352.376 0.183 20 0 FCADHL O=C([O-])C1CCC(NS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001593272870 1286057680 /nfs/dbraw/zinc/05/76/80/1286057680.db2.gz DBYYGGMSUCZUSD-UHFFFAOYSA-N -2 3 352.376 0.183 20 0 FCADHL O=C([O-])[C@H](CCF)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001593274842 1286058461 /nfs/dbraw/zinc/05/84/61/1286058461.db2.gz ATECFSJGGJFUGE-QMMMGPOBSA-N -2 3 363.758 0.611 20 0 FCADHL O=C([O-])C[C@H]1CCCN1S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001593278310 1286060406 /nfs/dbraw/zinc/06/04/06/1286060406.db2.gz YHRMKYBIIJCGEC-LLVKDONJSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])C[C@H]1CCCN1S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001593278310 1286060411 /nfs/dbraw/zinc/06/04/11/1286060411.db2.gz YHRMKYBIIJCGEC-LLVKDONJSA-N -2 3 351.388 0.636 20 0 FCADHL O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CO1 ZINC001593278181 1286060575 /nfs/dbraw/zinc/06/05/75/1286060575.db2.gz UMRAUKWMSXIFRZ-QLFBSQMISA-N -2 3 371.397 0.720 20 0 FCADHL O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CO1 ZINC001593278181 1286060577 /nfs/dbraw/zinc/06/05/77/1286060577.db2.gz UMRAUKWMSXIFRZ-QLFBSQMISA-N -2 3 371.397 0.720 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC12CCCC2 ZINC001593277201 1286060714 /nfs/dbraw/zinc/06/07/14/1286060714.db2.gz UCSCAQVMJOZHBR-NSHDSACASA-N -2 3 364.387 0.280 20 0 FCADHL O=C([O-])[C@@H]1N(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC12CCCC2 ZINC001593277201 1286060719 /nfs/dbraw/zinc/06/07/19/1286060719.db2.gz UCSCAQVMJOZHBR-NSHDSACASA-N -2 3 364.387 0.280 20 0 FCADHL O=C([O-])CCCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001593278157 1286060757 /nfs/dbraw/zinc/06/07/57/1286060757.db2.gz SZAJCEXUQVCIFK-ZDUSSCGKSA-N -2 3 360.374 0.814 20 0 FCADHL O=C([O-])CCCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001593278157 1286060759 /nfs/dbraw/zinc/06/07/59/1286060759.db2.gz SZAJCEXUQVCIFK-ZDUSSCGKSA-N -2 3 360.374 0.814 20 0 FCADHL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593278119 1286060869 /nfs/dbraw/zinc/06/08/69/1286060869.db2.gz RQMUNOKBHSYTEE-UHFFFAOYSA-N -3 3 373.778 0.580 20 0 FCADHL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001593278119 1286060870 /nfs/dbraw/zinc/06/08/70/1286060870.db2.gz RQMUNOKBHSYTEE-UHFFFAOYSA-N -3 3 373.778 0.580 20 0 FCADHL O=C([O-])[C@]12CC[C@H]1CN(S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C2 ZINC001593278872 1286061885 /nfs/dbraw/zinc/06/18/85/1286061885.db2.gz FEKZRFAGCOFQGV-RTHLEPHNSA-N -2 3 367.362 0.491 20 0 FCADHL O=C([O-])CCNC(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001593278708 1286062001 /nfs/dbraw/zinc/06/20/01/1286062001.db2.gz UZRICEAUOAZYTC-UHFFFAOYSA-N -2 3 363.353 0.312 20 0 FCADHL O=C([O-])CCNC(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001593278708 1286062004 /nfs/dbraw/zinc/06/20/04/1286062004.db2.gz UZRICEAUOAZYTC-UHFFFAOYSA-N -2 3 363.353 0.312 20 0 FCADHL O=C([O-])CSCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593278719 1286062112 /nfs/dbraw/zinc/06/21/12/1286062112.db2.gz VKGVCFRNDNRBHH-UHFFFAOYSA-N -2 3 361.380 0.102 20 0 FCADHL O=C([O-])CSCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001593278719 1286062113 /nfs/dbraw/zinc/06/21/13/1286062113.db2.gz VKGVCFRNDNRBHH-UHFFFAOYSA-N -2 3 361.380 0.102 20 0 FCADHL O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC001593278801 1286062142 /nfs/dbraw/zinc/06/21/42/1286062142.db2.gz BZVPPVUNPGSMKA-FKQCQYRASA-N -2 3 357.779 0.662 20 0 FCADHL O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC001593278801 1286062143 /nfs/dbraw/zinc/06/21/43/1286062143.db2.gz BZVPPVUNPGSMKA-FKQCQYRASA-N -2 3 357.779 0.662 20 0 FCADHL O=C([O-])c1cccnc1N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001593283380 1286064765 /nfs/dbraw/zinc/06/47/65/1286064765.db2.gz PXHKNDZYRUMPQX-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])c1cccnc1N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001593283380 1286064767 /nfs/dbraw/zinc/06/47/67/1286064767.db2.gz PXHKNDZYRUMPQX-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C(c1n[nH]c(=O)[n-]1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001593371784 1286094736 /nfs/dbraw/zinc/09/47/36/1286094736.db2.gz QUNHAAFCJFCLCC-UHFFFAOYSA-N -2 3 355.362 0.043 20 0 FCADHL O=C(c1n[nH]c(=O)[n-]1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001593371784 1286094741 /nfs/dbraw/zinc/09/47/41/1286094741.db2.gz QUNHAAFCJFCLCC-UHFFFAOYSA-N -2 3 355.362 0.043 20 0 FCADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccn1)c1cccc2c1OCCO2 ZINC001593444886 1286159563 /nfs/dbraw/zinc/15/95/63/1286159563.db2.gz PSQPYPKNSZMGMB-UHFFFAOYSA-N -2 3 360.355 0.834 20 0 FCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccn1)c1cccc2c1OCCO2 ZINC001593444886 1286159567 /nfs/dbraw/zinc/15/95/67/1286159567.db2.gz PSQPYPKNSZMGMB-UHFFFAOYSA-N -2 3 360.355 0.834 20 0 FCADHL O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccccc1-c1nn[n-]n1 ZINC001593445462 1286159731 /nfs/dbraw/zinc/15/97/31/1286159731.db2.gz PGOBUFBPKJCNHA-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=c1cc(CN2CCOC[C@H]2c2ccco2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593538826 1286199606 /nfs/dbraw/zinc/19/96/06/1286199606.db2.gz ITJAKRAYVFWNJA-LBPRGKRZSA-N -2 3 368.357 0.782 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NS(=O)(=O)CC3(C(=O)[O-])CC3)C2)n1 ZINC001600064982 1286435329 /nfs/dbraw/zinc/43/53/29/1286435329.db2.gz LRJHQUSDIZHUTP-LLVKDONJSA-N -2 3 370.431 0.244 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]Cc2nnc(C3CCOCC3)[nH]2)oc1C(=O)[O-] ZINC001600300226 1286472551 /nfs/dbraw/zinc/47/25/51/1286472551.db2.gz DCIMXIMYTAUYRA-UHFFFAOYSA-N -2 3 370.387 0.777 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](O)[C@@H](C)c2ccccc2)c1C(=O)[O-] ZINC001600672263 1286522587 /nfs/dbraw/zinc/52/25/87/1286522587.db2.gz BINAIWRSOYTEQT-JOYOIKCWSA-N -2 3 353.400 0.859 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@@H]23)c1C(=O)[O-] ZINC001600672653 1286523891 /nfs/dbraw/zinc/52/38/91/1286523891.db2.gz FZEZGWDWDGUNAG-ZJUUUORDSA-N -2 3 360.461 0.274 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](c2ccnn2C)C(C)C)c1C(=O)[O-] ZINC001600672928 1286524093 /nfs/dbraw/zinc/52/40/93/1286524093.db2.gz LAWCKGICWKSEHQ-SNVBAGLBSA-N -2 3 355.420 0.868 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)C(=O)NCc2ccccc2)c1C(=O)[O-] ZINC001600673449 1286524642 /nfs/dbraw/zinc/52/46/42/1286524642.db2.gz QPVBIFIRROFQIO-JTQLQIEISA-N -2 3 366.399 0.400 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2(C(=O)NCC(C)C)CCCC2)c1C(=O)[O-] ZINC001600673667 1286525078 /nfs/dbraw/zinc/52/50/78/1286525078.db2.gz SVCPEUIONLJGST-UHFFFAOYSA-N -2 3 372.447 0.780 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCc2nc3c(s2)COCC3)c1C(=O)[O-] ZINC001600674581 1286526554 /nfs/dbraw/zinc/52/65/54/1286526554.db2.gz SPQOIGQPOPBTNI-UHFFFAOYSA-N -2 3 372.428 0.467 20 0 FCADHL Cc1nc(C)c(CC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c(=O)[n-]1 ZINC001600691269 1286527371 /nfs/dbraw/zinc/52/73/71/1286527371.db2.gz FZCJKEGIMPDDDO-UHFFFAOYSA-N -2 3 358.354 0.795 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001600732211 1286534053 /nfs/dbraw/zinc/53/40/53/1286534053.db2.gz HSRQUZKPXROVDV-UHFFFAOYSA-N -2 3 365.386 0.870 20 0 FCADHL CN1C(=O)N=NC1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001600917745 1286569535 /nfs/dbraw/zinc/56/95/35/1286569535.db2.gz MIKBTDLHBMJWGR-UHFFFAOYSA-N -2 3 364.742 0.490 20 0 FCADHL Cn1cc(C[C@H]2CCC[C@@H]2[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cn1 ZINC001600949567 1286579082 /nfs/dbraw/zinc/57/90/82/1286579082.db2.gz UQWKNDNWRQPJCC-PWSUYJOCSA-N -2 3 353.404 0.531 20 0 FCADHL Cn1ncc(CCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)n1 ZINC001601026125 1286607081 /nfs/dbraw/zinc/60/70/81/1286607081.db2.gz GYVYZGJTRSEXLS-UHFFFAOYSA-N -2 3 360.342 0.703 20 0 FCADHL COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609316854 1289087770 /nfs/dbraw/zinc/08/77/70/1289087770.db2.gz QDRFXBPQBNEVNV-GHMZBOCLSA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609316854 1289087776 /nfs/dbraw/zinc/08/77/76/1289087776.db2.gz QDRFXBPQBNEVNV-GHMZBOCLSA-N -2 3 367.431 0.731 20 0 FCADHL NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001601138657 1286646209 /nfs/dbraw/zinc/64/62/09/1286646209.db2.gz OFOPEFXJRKTNJV-VIFPVBQESA-N -2 3 355.397 0.216 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CCCC1 ZINC001609318891 1289091894 /nfs/dbraw/zinc/09/18/94/1289091894.db2.gz TXNCCEOFHQIXDG-UHFFFAOYSA-N -2 3 366.403 0.273 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CCCC1 ZINC001609318891 1289091900 /nfs/dbraw/zinc/09/19/00/1289091900.db2.gz TXNCCEOFHQIXDG-UHFFFAOYSA-N -2 3 366.403 0.273 20 0 FCADHL O=C([O-])[C@H]1CCCN(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC001601312615 1286722599 /nfs/dbraw/zinc/72/25/99/1286722599.db2.gz PQTJDRBRRDJMEB-VIFPVBQESA-N -2 3 362.321 0.268 20 0 FCADHL O=C([O-])[C@H]1CCCN(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC001601312615 1286722601 /nfs/dbraw/zinc/72/26/01/1286722601.db2.gz PQTJDRBRRDJMEB-VIFPVBQESA-N -2 3 362.321 0.268 20 0 FCADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601328398 1286730395 /nfs/dbraw/zinc/73/03/95/1286730395.db2.gz QEINIOGDRFSHHF-KNVOCYPGSA-N -2 3 352.821 0.659 20 0 FCADHL O=C([O-])[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001601457973 1286754737 /nfs/dbraw/zinc/75/47/37/1286754737.db2.gz KBWBMRXTIPDZQY-GFCCVEGCSA-N -2 3 356.317 0.999 20 0 FCADHL O=C([O-])[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001601457973 1286754744 /nfs/dbraw/zinc/75/47/44/1286754744.db2.gz KBWBMRXTIPDZQY-GFCCVEGCSA-N -2 3 356.317 0.999 20 0 FCADHL O=C([O-])[C@H]1CCc2sc(NC(=O)NCCCc3c[n-][nH]c3=O)nc2C1 ZINC001601494788 1286767301 /nfs/dbraw/zinc/76/73/01/1286767301.db2.gz JSYYEOLHPPYXJH-IUCAKERBSA-N -2 3 365.415 0.966 20 0 FCADHL COCc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001609331054 1289102707 /nfs/dbraw/zinc/10/27/07/1289102707.db2.gz IULMNRGWLBRZIQ-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL COCc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001609331054 1289102712 /nfs/dbraw/zinc/10/27/12/1289102712.db2.gz IULMNRGWLBRZIQ-UHFFFAOYSA-N -2 3 374.382 0.527 20 0 FCADHL O=C([O-])[C@@H]1CCCN(CC(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)C1=O ZINC001601817322 1286841504 /nfs/dbraw/zinc/84/15/04/1286841504.db2.gz KUNMHWLXNBEPKC-SNVBAGLBSA-N -2 3 360.370 0.225 20 0 FCADHL O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001601854538 1286855096 /nfs/dbraw/zinc/85/50/96/1286855096.db2.gz NOJQYFGHNWZWEP-ZDUSSCGKSA-N -2 3 363.395 0.533 20 0 FCADHL O=C([O-])CC1(NC(=O)Cc2ccc([O-])c(F)c2)CCS(=O)(=O)CC1 ZINC001601927762 1286873493 /nfs/dbraw/zinc/87/34/93/1286873493.db2.gz YFSOVFWKPIFPCL-UHFFFAOYSA-N -2 3 359.375 0.612 20 0 FCADHL O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC001601964254 1286888216 /nfs/dbraw/zinc/88/82/16/1286888216.db2.gz QPBKLBRWQPAOJJ-LBPRGKRZSA-N -2 3 373.402 0.954 20 0 FCADHL O=C([O-])COc1ccc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC001602090502 1286931730 /nfs/dbraw/zinc/93/17/30/1286931730.db2.gz FRGQJFAUNLSAPA-UHFFFAOYSA-N -2 3 365.367 0.393 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)O1 ZINC001602175433 1286958245 /nfs/dbraw/zinc/95/82/45/1286958245.db2.gz GPPUYAPNLROPGO-ZJUUUORDSA-N -2 3 352.309 0.536 20 0 FCADHL O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-]Cc2nc(Cc3ccccc3)no2)C1 ZINC001602220420 1286970768 /nfs/dbraw/zinc/97/07/68/1286970768.db2.gz YCTNWVOAEVIQLL-TXEJJXNPSA-N -2 3 351.384 0.943 20 0 FCADHL COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001609354130 1289116431 /nfs/dbraw/zinc/11/64/31/1289116431.db2.gz NFGUGFSDCTVFFY-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001609354130 1289116433 /nfs/dbraw/zinc/11/64/33/1289116433.db2.gz NFGUGFSDCTVFFY-UHFFFAOYSA-N -2 3 373.394 0.923 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC001602488107 1287010157 /nfs/dbraw/zinc/01/01/57/1287010157.db2.gz CMSGLCJGDVSSPV-CHWSQXEVSA-N -2 3 358.416 0.900 20 0 FCADHL O=C([O-])c1ccoc1Cn1cc(I)c(=O)[n-]c1=O ZINC001602487169 1287010613 /nfs/dbraw/zinc/01/06/13/1287010613.db2.gz BLXKRDHDCTUTHM-UHFFFAOYSA-N -2 3 362.079 0.893 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC001602488082 1287010480 /nfs/dbraw/zinc/01/04/80/1287010480.db2.gz BZDDRPQDOFXYJW-MRVPVSSYSA-N -2 3 370.305 0.809 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001602506813 1287019154 /nfs/dbraw/zinc/01/91/54/1287019154.db2.gz SJOPUSPLDZMIPK-SNVBAGLBSA-N -2 3 356.404 0.177 20 0 FCADHL O=C([O-])c1nccc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc[n-]c2=O)C3)n1 ZINC001602573620 1287029879 /nfs/dbraw/zinc/02/98/79/1287029879.db2.gz MCKYZJCTZIWTML-IEBDPFPHSA-N -2 3 356.342 0.210 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCCN2CCSC[C@@H]12 ZINC001602589171 1287034286 /nfs/dbraw/zinc/03/42/86/1287034286.db2.gz XNKUSWUXBJGRLP-IUCAKERBSA-N -2 3 363.486 0.699 20 0 FCADHL O=C([O-])C1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)CCC1 ZINC001602632031 1287040496 /nfs/dbraw/zinc/04/04/96/1287040496.db2.gz QENASNYBVNTQSJ-CYBMUJFWSA-N -2 3 352.412 0.966 20 0 FCADHL O=C([O-])C(F)=C(Nc1cccc(Cl)c1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602656477 1287051555 /nfs/dbraw/zinc/05/15/55/1287051555.db2.gz OYJDJAWQSOGXIO-QMMMGPOBSA-N -3 3 357.750 0.960 20 0 FCADHL O=C([O-])C(F)=C(NCc1ccccc1F)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001602656118 1287052829 /nfs/dbraw/zinc/05/28/29/1287052829.db2.gz KTBHGFQDCWYHPO-VIFPVBQESA-N -3 3 355.322 0.123 20 0 FCADHL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001603031157 1287192439 /nfs/dbraw/zinc/19/24/39/1287192439.db2.gz AXAJVBCSSAUDCL-SSDOTTSWSA-N -2 3 355.351 0.347 20 0 FCADHL COC(=O)[C@H](C)CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001604903329 1287812353 /nfs/dbraw/zinc/81/23/53/1287812353.db2.gz XBKHOCQZLCRKPY-SECBINFHSA-N -2 3 372.389 0.389 20 0 FCADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1OC ZINC001604901228 1287812491 /nfs/dbraw/zinc/81/24/91/1287812491.db2.gz VOZLOQJDODQZQD-UHFFFAOYSA-N -2 3 369.403 0.816 20 0 FCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC001604961926 1287820641 /nfs/dbraw/zinc/82/06/41/1287820641.db2.gz GQHHRNFRFQLIJL-UHFFFAOYSA-N -2 3 367.322 0.316 20 0 FCADHL CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001605030559 1287840893 /nfs/dbraw/zinc/84/08/93/1287840893.db2.gz NBSLMSBSJKMVPB-QWHCGFSZSA-N -2 3 365.415 0.877 20 0 FCADHL CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001605030559 1287840897 /nfs/dbraw/zinc/84/08/97/1287840897.db2.gz NBSLMSBSJKMVPB-QWHCGFSZSA-N -2 3 365.415 0.877 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001605063899 1287862451 /nfs/dbraw/zinc/86/24/51/1287862451.db2.gz WUSBADKPVUASAJ-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001605063899 1287862455 /nfs/dbraw/zinc/86/24/55/1287862455.db2.gz WUSBADKPVUASAJ-UHFFFAOYSA-N -2 3 351.388 0.488 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001605063237 1287862862 /nfs/dbraw/zinc/86/28/62/1287862862.db2.gz HSEQUMJHIWQXNP-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL COCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001605063237 1287862869 /nfs/dbraw/zinc/86/28/69/1287862869.db2.gz HSEQUMJHIWQXNP-UHFFFAOYSA-N -2 3 365.415 0.878 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)c2ccc(C)c(-c3nnn[n-]3)c2)CC1 ZINC001605068372 1287865695 /nfs/dbraw/zinc/86/56/95/1287865695.db2.gz XHWIBSMUKAMBDE-UHFFFAOYSA-N -2 3 351.388 0.414 20 0 FCADHL COCC1(S(=O)(=O)[N-]C(=O)c2ccc(C)c(-c3nn[n-]n3)c2)CC1 ZINC001605068372 1287865701 /nfs/dbraw/zinc/86/57/01/1287865701.db2.gz XHWIBSMUKAMBDE-UHFFFAOYSA-N -2 3 351.388 0.414 20 0 FCADHL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001605094148 1287878522 /nfs/dbraw/zinc/87/85/22/1287878522.db2.gz WKYHELHQBGDNBY-MRVPVSSYSA-N -2 3 373.366 0.116 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2sc(C)cc2-c2nnn[n-]2)cn1 ZINC001605125684 1287891414 /nfs/dbraw/zinc/89/14/14/1287891414.db2.gz YBMDZEGOGKKOHX-UHFFFAOYSA-N -2 3 369.432 0.880 20 0 FCADHL COCCn1cc(S(=O)(=O)[N-]c2sc(C)cc2-c2nn[n-]n2)cn1 ZINC001605125684 1287891419 /nfs/dbraw/zinc/89/14/19/1287891419.db2.gz YBMDZEGOGKKOHX-UHFFFAOYSA-N -2 3 369.432 0.880 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001605187855 1287903860 /nfs/dbraw/zinc/90/38/60/1287903860.db2.gz BACZQICNEZNMIG-SNVBAGLBSA-N -2 3 365.371 0.327 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001605187855 1287903866 /nfs/dbraw/zinc/90/38/66/1287903866.db2.gz BACZQICNEZNMIG-SNVBAGLBSA-N -2 3 365.371 0.327 20 0 FCADHL Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(C)c(-c3nnn[n-]3)c2)cnn1C ZINC001609419534 1289144751 /nfs/dbraw/zinc/14/47/51/1289144751.db2.gz NNBSKRXJLGQTMK-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(C)c(-c3nn[n-]n3)c2)cnn1C ZINC001609419534 1289144755 /nfs/dbraw/zinc/14/47/55/1289144755.db2.gz NNBSKRXJLGQTMK-UHFFFAOYSA-N -2 3 361.387 0.336 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-] ZINC001605546280 1287994617 /nfs/dbraw/zinc/99/46/17/1287994617.db2.gz KSISQSWHOFPHKN-SECBINFHSA-N -2 3 355.401 0.323 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-] ZINC001605546280 1287994620 /nfs/dbraw/zinc/99/46/20/1287994620.db2.gz KSISQSWHOFPHKN-SECBINFHSA-N -2 3 355.401 0.323 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N(CCC(=O)[O-])C1CC1 ZINC001605678763 1288049992 /nfs/dbraw/zinc/04/99/92/1288049992.db2.gz COJNSYFKURSMRW-UHFFFAOYSA-N -2 3 369.378 0.942 20 0 FCADHL Cc1cc(S(=O)(=O)NC[C@H](C(=O)[O-])C2CCC2)ccc1-c1nnn[n-]1 ZINC001605750992 1288070760 /nfs/dbraw/zinc/07/07/60/1288070760.db2.gz BHCSTZNWMBNTOE-ZDUSSCGKSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1cc(S(=O)(=O)NC[C@H](C(=O)[O-])C2CCC2)ccc1-c1nn[n-]n1 ZINC001605750992 1288070762 /nfs/dbraw/zinc/07/07/62/1288070762.db2.gz BHCSTZNWMBNTOE-ZDUSSCGKSA-N -2 3 365.415 0.954 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C ZINC001605801354 1288089761 /nfs/dbraw/zinc/08/97/61/1288089761.db2.gz FXBWZQMBMOXUCA-NSHDSACASA-N -2 3 353.404 0.953 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C ZINC001605801354 1288089768 /nfs/dbraw/zinc/08/97/68/1288089768.db2.gz FXBWZQMBMOXUCA-NSHDSACASA-N -2 3 353.404 0.953 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC001605801468 1288090507 /nfs/dbraw/zinc/09/05/07/1288090507.db2.gz ABTITFXCYJYIHH-UHFFFAOYSA-N -2 3 351.388 0.660 20 0 FCADHL CCc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[n-]c2=O)cc1 ZINC001605816223 1288093625 /nfs/dbraw/zinc/09/36/25/1288093625.db2.gz MUPYAILTGOEFOV-SNVBAGLBSA-N -3 3 351.359 0.869 20 0 FCADHL Cc1ccc([C@@H](NS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C(=O)[O-])cc1 ZINC001605827883 1288096590 /nfs/dbraw/zinc/09/65/90/1288096590.db2.gz DUIJZJCPPTYLHS-CYBMUJFWSA-N -2 3 374.382 0.674 20 0 FCADHL Cc1ccc([C@@H](NS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C(=O)[O-])cc1 ZINC001605827883 1288096592 /nfs/dbraw/zinc/09/65/92/1288096592.db2.gz DUIJZJCPPTYLHS-CYBMUJFWSA-N -2 3 374.382 0.674 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)c1-c1nnn[n-]1 ZINC001605917992 1288104514 /nfs/dbraw/zinc/10/45/14/1288104514.db2.gz AVUSAMAEXJKODC-JTQLQIEISA-N -2 3 360.374 0.587 20 0 FCADHL Cc1cccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)c1-c1nn[n-]n1 ZINC001605917992 1288104516 /nfs/dbraw/zinc/10/45/16/1288104516.db2.gz AVUSAMAEXJKODC-JTQLQIEISA-N -2 3 360.374 0.587 20 0 FCADHL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC001605989212 1288120654 /nfs/dbraw/zinc/12/06/54/1288120654.db2.gz FVBHUXGITVPIKX-UHFFFAOYSA-N -2 3 362.419 0.775 20 0 FCADHL Cc1nc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001609448908 1289157316 /nfs/dbraw/zinc/15/73/16/1289157316.db2.gz YHGGJXYVWXZVCE-UHFFFAOYSA-N -2 3 366.337 0.684 20 0 FCADHL Cc1nc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC001609448080 1289157382 /nfs/dbraw/zinc/15/73/82/1289157382.db2.gz OFNCPMZMQPYSQR-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL Cc1nc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC001609448080 1289157386 /nfs/dbraw/zinc/15/73/86/1289157386.db2.gz OFNCPMZMQPYSQR-UHFFFAOYSA-N -2 3 362.371 0.731 20 0 FCADHL CN1C[C@H](C(=O)[O-])N(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1=O ZINC001606200597 1288207850 /nfs/dbraw/zinc/20/78/50/1288207850.db2.gz YCDXRTIWFPBQIO-LLVKDONJSA-N -2 3 363.757 0.549 20 0 FCADHL COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606334690 1288263241 /nfs/dbraw/zinc/26/32/41/1288263241.db2.gz ZGBVJUPTBWUVHO-MWLCHTKSSA-N -2 3 361.372 0.614 20 0 FCADHL COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001606342750 1288264224 /nfs/dbraw/zinc/26/42/24/1288264224.db2.gz PNYRERDNPGPSQS-SNVBAGLBSA-N -2 3 367.326 0.254 20 0 FCADHL COC(=O)[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC001606342534 1288264256 /nfs/dbraw/zinc/26/42/56/1288264256.db2.gz NZYBKYZZCAMBMI-NTZNESFSSA-N -2 3 351.421 0.517 20 0 FCADHL COC(=O)C1([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)CCC(C(=O)[O-])CC1 ZINC001606354156 1288270150 /nfs/dbraw/zinc/27/01/50/1288270150.db2.gz LHHQPRCNTOIXPG-LOIXOFCESA-N -2 3 363.432 0.660 20 0 FCADHL COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1nnc2ccccc2c1[O-] ZINC001606384987 1288281252 /nfs/dbraw/zinc/28/12/52/1288281252.db2.gz HIQRSUPXUMMLLK-CABZTGNLSA-N -2 3 359.338 0.814 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001609478087 1289171895 /nfs/dbraw/zinc/17/18/95/1289171895.db2.gz WVESGSIZIUANPX-UHFFFAOYSA-N -2 3 374.382 0.259 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001609478087 1289171901 /nfs/dbraw/zinc/17/19/01/1289171901.db2.gz WVESGSIZIUANPX-UHFFFAOYSA-N -2 3 374.382 0.259 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001606503023 1288347732 /nfs/dbraw/zinc/34/77/32/1288347732.db2.gz ZDLZWMVZJVTTKS-GFCCVEGCSA-N -2 3 351.388 0.382 20 0 FCADHL O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001606503023 1288347740 /nfs/dbraw/zinc/34/77/40/1288347740.db2.gz ZDLZWMVZJVTTKS-GFCCVEGCSA-N -2 3 351.388 0.382 20 0 FCADHL Cn1cc(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001609479219 1289173452 /nfs/dbraw/zinc/17/34/52/1289173452.db2.gz YDKYLGBMSKJJAD-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL Cn1cc(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001609479219 1289173456 /nfs/dbraw/zinc/17/34/56/1289173456.db2.gz YDKYLGBMSKJJAD-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL O=C(CCc1ncccn1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001606535395 1288369054 /nfs/dbraw/zinc/36/90/54/1288369054.db2.gz KJOSXNLGOGNRJI-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CCc1ncccn1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001606535395 1288369061 /nfs/dbraw/zinc/36/90/61/1288369061.db2.gz KJOSXNLGOGNRJI-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001606547929 1288376880 /nfs/dbraw/zinc/37/68/80/1288376880.db2.gz ANPYNLFIGAVAAT-WPRPVWTQSA-N -2 3 367.301 0.857 20 0 FCADHL O=C(CNC(=O)c1ccc(F)cc1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001606552488 1288381481 /nfs/dbraw/zinc/38/14/81/1288381481.db2.gz JDUVPIFSTHZFAZ-UHFFFAOYSA-N -2 3 356.317 0.846 20 0 FCADHL O=C(CNC(=O)c1ccc(F)cc1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001606552488 1288381488 /nfs/dbraw/zinc/38/14/88/1288381488.db2.gz JDUVPIFSTHZFAZ-UHFFFAOYSA-N -2 3 356.317 0.846 20 0 FCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C(F)F ZINC001606582039 1288394800 /nfs/dbraw/zinc/39/48/00/1288394800.db2.gz PNIZCQCSZZJKBH-UHFFFAOYSA-N -2 3 363.371 0.769 20 0 FCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C(F)F ZINC001606582039 1288394804 /nfs/dbraw/zinc/39/48/04/1288394804.db2.gz PNIZCQCSZZJKBH-UHFFFAOYSA-N -2 3 363.371 0.769 20 0 FCADHL COC(=O)c1ccc(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC001606585926 1288397684 /nfs/dbraw/zinc/39/76/84/1288397684.db2.gz MSRUJKDJYFSGNA-UHFFFAOYSA-N -2 3 353.356 0.416 20 0 FCADHL Cn1nccc1CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609483240 1289177071 /nfs/dbraw/zinc/17/70/71/1289177071.db2.gz RLXIGCQCMMOMQT-UHFFFAOYSA-N -2 3 369.357 0.399 20 0 FCADHL CO[C@@H](C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])Cc1ccccc1 ZINC001606679315 1288435387 /nfs/dbraw/zinc/43/53/87/1288435387.db2.gz DFADBXMLVWUVCG-GFCCVEGCSA-N -2 3 353.400 0.952 20 0 FCADHL O=C(NCCc1nc(=O)o[n-]1)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001606802012 1288523713 /nfs/dbraw/zinc/52/37/13/1288523713.db2.gz JPOGHGPUTYZXLS-UHFFFAOYSA-N -2 3 368.313 0.171 20 0 FCADHL O=C(NCCc1nc(=O)o[n-]1)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001606802012 1288523717 /nfs/dbraw/zinc/52/37/17/1288523717.db2.gz JPOGHGPUTYZXLS-UHFFFAOYSA-N -2 3 368.313 0.171 20 0 FCADHL O=C([N-]S(=O)(=O)C1CCOCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606863631 1288542311 /nfs/dbraw/zinc/54/23/11/1288542311.db2.gz JOHITWLXCHAMOZ-UHFFFAOYSA-N -2 3 371.806 0.759 20 0 FCADHL O=C([N-]S(=O)(=O)C1CCOCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606863631 1288542314 /nfs/dbraw/zinc/54/23/14/1288542314.db2.gz JOHITWLXCHAMOZ-UHFFFAOYSA-N -2 3 371.806 0.759 20 0 FCADHL COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001606901135 1288555818 /nfs/dbraw/zinc/55/58/18/1288555818.db2.gz RQEXSVDTIWBDBE-WDEREUQCSA-N -2 3 363.388 0.385 20 0 FCADHL O=C([O-])CCCNC(=O)N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001606958625 1288574493 /nfs/dbraw/zinc/57/44/93/1288574493.db2.gz YZAREUKMSMKIQR-NSHDSACASA-N -2 3 361.362 0.289 20 0 FCADHL O=C([O-])CCCNC(=O)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001606958625 1288574495 /nfs/dbraw/zinc/57/44/95/1288574495.db2.gz YZAREUKMSMKIQR-NSHDSACASA-N -2 3 361.362 0.289 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001606957699 1288574535 /nfs/dbraw/zinc/57/45/35/1288574535.db2.gz IGROOYMQLZHGBJ-SKDRFNHKSA-N -2 3 369.378 0.928 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001606957699 1288574536 /nfs/dbraw/zinc/57/45/36/1288574536.db2.gz IGROOYMQLZHGBJ-SKDRFNHKSA-N -2 3 369.378 0.928 20 0 FCADHL O=C([O-])C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001606958352 1288574539 /nfs/dbraw/zinc/57/45/39/1288574539.db2.gz SBPLRINKHLTDNO-CABZTGNLSA-N -2 3 366.403 0.574 20 0 FCADHL O=C([O-])C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001606958352 1288574540 /nfs/dbraw/zinc/57/45/40/1288574540.db2.gz SBPLRINKHLTDNO-CABZTGNLSA-N -2 3 366.403 0.574 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC001606959711 1288575266 /nfs/dbraw/zinc/57/52/66/1288575266.db2.gz LVYJCMOCPKDNNA-UHFFFAOYSA-N -2 3 369.378 0.680 20 0 FCADHL O=C([O-])C1(CNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC001606959711 1288575268 /nfs/dbraw/zinc/57/52/68/1288575268.db2.gz LVYJCMOCPKDNNA-UHFFFAOYSA-N -2 3 369.378 0.680 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001606959655 1288575539 /nfs/dbraw/zinc/57/55/39/1288575539.db2.gz LHDALGLEDWARQY-DRZSPHRISA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001606959655 1288575544 /nfs/dbraw/zinc/57/55/44/1288575544.db2.gz LHDALGLEDWARQY-DRZSPHRISA-N -2 3 363.399 0.741 20 0 FCADHL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001606961499 1288576797 /nfs/dbraw/zinc/57/67/97/1288576797.db2.gz SWQYNTSIXDUXSF-NSHDSACASA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])[C@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606962476 1288577837 /nfs/dbraw/zinc/57/78/37/1288577837.db2.gz YMMKEEHUIOFLSM-SECBINFHSA-N -2 3 359.314 0.350 20 0 FCADHL O=C([O-])[C@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606962476 1288577841 /nfs/dbraw/zinc/57/78/41/1288577841.db2.gz YMMKEEHUIOFLSM-SECBINFHSA-N -2 3 359.314 0.350 20 0 FCADHL COc1cc(F)c(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)cc1F ZINC001607169603 1288676745 /nfs/dbraw/zinc/67/67/45/1288676745.db2.gz MCUZVEJRAKHIEV-UHFFFAOYSA-N -2 3 362.314 0.242 20 0 FCADHL COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1C(=O)[O-] ZINC001607258856 1288690574 /nfs/dbraw/zinc/69/05/74/1288690574.db2.gz SYDZQFXQRKHOAG-UHFFFAOYSA-N -2 3 354.326 0.899 20 0 FCADHL COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1C(=O)[O-] ZINC001607258856 1288690576 /nfs/dbraw/zinc/69/05/76/1288690576.db2.gz SYDZQFXQRKHOAG-UHFFFAOYSA-N -2 3 354.326 0.899 20 0 FCADHL Cc1ccc(C2=NO[C@@H](C[N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])C2)cc1 ZINC001607767295 1288738371 /nfs/dbraw/zinc/73/83/71/1288738371.db2.gz WRIYEFLHRVQEJS-LLVKDONJSA-N -2 3 364.383 0.888 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1C(=O)[O-] ZINC001607939956 1288749335 /nfs/dbraw/zinc/74/93/35/1288749335.db2.gz IEEWFDZAHBQMKY-MWLCHTKSSA-N -2 3 369.403 0.348 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)CO2)c1C(=O)[O-] ZINC001607939359 1288750054 /nfs/dbraw/zinc/75/00/54/1288750054.db2.gz BZSUGXSIJVTBKI-NSHDSACASA-N -2 3 373.431 0.670 20 0 FCADHL Cn1nccc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC001608162769 1288784415 /nfs/dbraw/zinc/78/44/15/1288784415.db2.gz MCISXVYMDCIFCY-KCJUWKMLSA-N -2 3 355.376 0.040 20 0 FCADHL NC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccn1 ZINC001608228076 1288794080 /nfs/dbraw/zinc/79/40/80/1288794080.db2.gz LZNLNBRDLCCGTQ-GFCCVEGCSA-N -2 3 353.331 0.424 20 0 FCADHL O=C([O-])c1cn([C@H]2CCCN(C(=O)CNC(=O)c3ccc([O-])cc3)C2)nn1 ZINC001608414595 1288839116 /nfs/dbraw/zinc/83/91/16/1288839116.db2.gz JQXZBVDMMQIDSA-LBPRGKRZSA-N -2 3 373.369 0.275 20 0 FCADHL O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001608627172 1288860530 /nfs/dbraw/zinc/86/05/30/1288860530.db2.gz REFIXASGANWJQS-IJLUTSLNSA-N -2 3 370.431 0.324 20 0 FCADHL O=C([O-])C(F)=C(Nc1ccc(Cl)cc1)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001609043709 1288885468 /nfs/dbraw/zinc/88/54/68/1288885468.db2.gz FHJDEBCSDHXQLM-MRVPVSSYSA-N -3 3 357.750 0.960 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)c1ccsc1 ZINC001609071105 1288901445 /nfs/dbraw/zinc/90/14/45/1288901445.db2.gz VOOKBXGVKVQVLU-QMMMGPOBSA-N -2 3 364.412 0.932 20 0 FCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)c1ccsc1 ZINC001609071105 1288901452 /nfs/dbraw/zinc/90/14/52/1288901452.db2.gz VOOKBXGVKVQVLU-QMMMGPOBSA-N -2 3 364.412 0.932 20 0 FCADHL CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001609096825 1288917278 /nfs/dbraw/zinc/91/72/78/1288917278.db2.gz AIIMHKLJVNBHNJ-LLVKDONJSA-N -2 3 364.337 0.560 20 0 FCADHL CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001609096825 1288917282 /nfs/dbraw/zinc/91/72/82/1288917282.db2.gz AIIMHKLJVNBHNJ-LLVKDONJSA-N -2 3 364.337 0.560 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609142530 1288945106 /nfs/dbraw/zinc/94/51/06/1288945106.db2.gz CFPOEQWFHOQISJ-BXUZGUMPSA-N -2 3 366.403 0.574 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609142530 1288945109 /nfs/dbraw/zinc/94/51/09/1288945109.db2.gz CFPOEQWFHOQISJ-BXUZGUMPSA-N -2 3 366.403 0.574 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609142842 1288945796 /nfs/dbraw/zinc/94/57/96/1288945796.db2.gz OKIKTYKQFJUMJH-BXUZGUMPSA-N -2 3 369.378 0.928 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609142842 1288945803 /nfs/dbraw/zinc/94/58/03/1288945803.db2.gz OKIKTYKQFJUMJH-BXUZGUMPSA-N -2 3 369.378 0.928 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC001609154321 1288953113 /nfs/dbraw/zinc/95/31/13/1288953113.db2.gz CNSHOOPBRMQKCO-QWRGUYRKSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC001609154321 1288953116 /nfs/dbraw/zinc/95/31/16/1288953116.db2.gz CNSHOOPBRMQKCO-QWRGUYRKSA-N -2 3 374.405 0.426 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001609166097 1288959452 /nfs/dbraw/zinc/95/94/52/1288959452.db2.gz GRSQWWCYFTWRLG-GXFFZTMASA-N -2 3 365.415 0.882 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001609166097 1288959456 /nfs/dbraw/zinc/95/94/56/1288959456.db2.gz GRSQWWCYFTWRLG-GXFFZTMASA-N -2 3 365.415 0.882 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H](C(=O)[O-])C1 ZINC001609168749 1288962639 /nfs/dbraw/zinc/96/26/39/1288962639.db2.gz LLDLYFACVIXEKZ-GWCFXTLKSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H](C(=O)[O-])C1 ZINC001609168749 1288962643 /nfs/dbraw/zinc/96/26/43/1288962643.db2.gz LLDLYFACVIXEKZ-GWCFXTLKSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC001609173485 1288967073 /nfs/dbraw/zinc/96/70/73/1288967073.db2.gz KGBIDCJLRPUWHE-WPRPVWTQSA-N -2 3 369.378 0.737 20 0 FCADHL CC[C@H](CCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001609189562 1288978356 /nfs/dbraw/zinc/97/83/56/1288978356.db2.gz LJZYIYDVLBAPNT-SECBINFHSA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1)CC(=O)[O-] ZINC001609190211 1288978801 /nfs/dbraw/zinc/97/88/01/1288978801.db2.gz CDLOKFJMZGGFMV-VIFPVBQESA-N -2 3 354.392 0.349 20 0 FCADHL CC[C@H](CNS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1)CC(=O)[O-] ZINC001609190211 1288978802 /nfs/dbraw/zinc/97/88/02/1288978802.db2.gz CDLOKFJMZGGFMV-VIFPVBQESA-N -2 3 354.392 0.349 20 0 FCADHL CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609210802 1288988401 /nfs/dbraw/zinc/98/84/01/1288988401.db2.gz QJCUTLNKLGMDLH-SECBINFHSA-N -2 3 354.392 0.272 20 0 FCADHL CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609210802 1288988406 /nfs/dbraw/zinc/98/84/06/1288988406.db2.gz QJCUTLNKLGMDLH-SECBINFHSA-N -2 3 354.392 0.272 20 0 FCADHL CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609220864 1288993952 /nfs/dbraw/zinc/99/39/52/1288993952.db2.gz SETJXXLGTQRLMA-GFCCVEGCSA-N -2 3 353.404 0.987 20 0 FCADHL CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609220864 1288993954 /nfs/dbraw/zinc/99/39/54/1288993954.db2.gz SETJXXLGTQRLMA-GFCCVEGCSA-N -2 3 353.404 0.987 20 0 FCADHL O=C(CCc1cnccn1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609525351 1289194097 /nfs/dbraw/zinc/19/40/97/1289194097.db2.gz HPJMGZITOPPTQF-UHFFFAOYSA-N -2 3 373.398 0.236 20 0 FCADHL O=C(CCc1cnccn1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609525351 1289194102 /nfs/dbraw/zinc/19/41/02/1289194102.db2.gz HPJMGZITOPPTQF-UHFFFAOYSA-N -2 3 373.398 0.236 20 0 FCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)Cc1ccccn1 ZINC001609531397 1289199919 /nfs/dbraw/zinc/19/99/19/1289199919.db2.gz GWLPLXVPNOCDIC-UHFFFAOYSA-N -2 3 374.382 0.287 20 0 FCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)Cc1ccccn1 ZINC001609531397 1289199923 /nfs/dbraw/zinc/19/99/23/1289199923.db2.gz GWLPLXVPNOCDIC-UHFFFAOYSA-N -2 3 374.382 0.287 20 0 FCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)Cc1cccnc1 ZINC001609531129 1289200620 /nfs/dbraw/zinc/20/06/20/1289200620.db2.gz VRCOPCXNFYZHLW-UHFFFAOYSA-N -2 3 374.382 0.287 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)c1ncccc1Cl ZINC001609560260 1289225599 /nfs/dbraw/zinc/22/55/99/1289225599.db2.gz DBRHSAABXJCDCK-UHFFFAOYSA-N -2 3 365.762 0.429 20 0 FCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)c1ncccc1Cl ZINC001609560260 1289225607 /nfs/dbraw/zinc/22/56/07/1289225607.db2.gz DBRHSAABXJCDCK-UHFFFAOYSA-N -2 3 365.762 0.429 20 0 FCADHL O=C([O-])CC[C@H]1CCCCN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609571765 1289234071 /nfs/dbraw/zinc/23/40/71/1289234071.db2.gz BWXHQNKVAJUYJY-LLVKDONJSA-N -2 3 366.403 0.670 20 0 FCADHL O=C([O-])CC[C@H]1CCCCN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609571765 1289234077 /nfs/dbraw/zinc/23/40/77/1289234077.db2.gz BWXHQNKVAJUYJY-LLVKDONJSA-N -2 3 366.403 0.670 20 0 FCADHL CC(C)C[C@@H](NC(=O)COC(=O)c1cc(F)cc2[n-]nnc21)C(=O)[O-] ZINC001609693993 1289280810 /nfs/dbraw/zinc/28/08/10/1289280810.db2.gz KLLKKPOLZQRUPC-LLVKDONJSA-N -2 3 352.322 0.869 20 0 FCADHL CC(C)C[C@@H](NC(=O)COC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001609693993 1289280816 /nfs/dbraw/zinc/28/08/16/1289280816.db2.gz KLLKKPOLZQRUPC-LLVKDONJSA-N -2 3 352.322 0.869 20 0 FCADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001609715831 1289285729 /nfs/dbraw/zinc/28/57/29/1289285729.db2.gz DRZKPHJVMKIFTE-PWSUYJOCSA-N -2 3 367.368 0.697 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)o1 ZINC001610148032 1289398263 /nfs/dbraw/zinc/39/82/63/1289398263.db2.gz BUNSNNHGVXLSCJ-SNVBAGLBSA-N -2 3 373.431 0.117 20 0 FCADHL COc1ccc(C(=O)[N-]C(=O)CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC001610313234 1289459238 /nfs/dbraw/zinc/45/92/38/1289459238.db2.gz CLSJJUZNDYXASE-LBPRGKRZSA-N -2 3 373.369 0.188 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](O)CCc2ccccc2)c1C(=O)[O-] ZINC001610549687 1289506681 /nfs/dbraw/zinc/50/66/81/1289506681.db2.gz HNEZIOBIQCJESM-GFCCVEGCSA-N -2 3 353.400 0.688 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CCc2nc(CC(=O)[O-])cs2)cc1C(=O)[O-] ZINC001610586624 1289518000 /nfs/dbraw/zinc/51/80/00/1289518000.db2.gz KOLCQXRJNHVJIS-UHFFFAOYSA-N -3 3 374.396 0.891 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CCc2nnc3n2CCCC3)cc1C(=O)[O-] ZINC001610586784 1289518125 /nfs/dbraw/zinc/51/81/25/1289518125.db2.gz OGGOWNQPAIKYFR-UHFFFAOYSA-N -2 3 354.388 0.735 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H](O)C2CCOCC2)c1F ZINC001610806375 1289599035 /nfs/dbraw/zinc/59/90/35/1289599035.db2.gz OXDLOFJBXZSTJY-JTQLQIEISA-N -2 3 365.354 0.729 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](O)C2CCOCC2)c1F ZINC001610806376 1289599075 /nfs/dbraw/zinc/59/90/75/1289599075.db2.gz OXDLOFJBXZSTJY-SNVBAGLBSA-N -2 3 365.354 0.729 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCS3(=O)=O)c1 ZINC001610866733 1289613119 /nfs/dbraw/zinc/61/31/19/1289613119.db2.gz CUHPFTULCGRCBG-UHFFFAOYSA-N -2 3 371.392 0.786 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CS(=O)(=O)c2ccccc21 ZINC001610871598 1289613560 /nfs/dbraw/zinc/61/35/60/1289613560.db2.gz PRWBZGVMNHRBCR-QMMMGPOBSA-N -2 3 374.421 0.648 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H](CO)CC1CCOCC1 ZINC001610873566 1289615206 /nfs/dbraw/zinc/61/52/06/1289615206.db2.gz XXLSBOLEBQWUEL-SNVBAGLBSA-N -2 3 364.445 0.545 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCCS1 ZINC000826450667 836527972 /nfs/dbraw/zinc/52/79/72/836527972.db2.gz XWNWFRXGLQGVBH-NSHDSACASA-N -2 3 353.429 0.957 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCS1 ZINC000826450667 836527974 /nfs/dbraw/zinc/52/79/74/836527974.db2.gz XWNWFRXGLQGVBH-NSHDSACASA-N -2 3 353.429 0.957 20 0 FCADHL Cc1ccc2ncc([O-])c(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c2c1 ZINC001154533474 849800171 /nfs/dbraw/zinc/80/01/71/849800171.db2.gz FWWMAUGYCXFCKZ-SDBXPKJASA-N -2 3 365.367 0.381 20 0 FCADHL O=C(c1cc(Br)ccc1[O-])N1CCOC[C@H]1c1nnn[n-]1 ZINC001170375971 850652402 /nfs/dbraw/zinc/65/24/02/850652402.db2.gz PPYJSHLHVOYIAR-VIFPVBQESA-N -2 3 354.164 0.882 20 0 FCADHL O=C(c1cc(Br)ccc1[O-])N1CCOC[C@H]1c1nn[n-]n1 ZINC001170375971 850652404 /nfs/dbraw/zinc/65/24/04/850652404.db2.gz PPYJSHLHVOYIAR-VIFPVBQESA-N -2 3 354.164 0.882 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1CN(Cc2ccccc2)CC1=O ZINC001181571806 851121828 /nfs/dbraw/zinc/12/18/28/851121828.db2.gz ROEYZFCVQCKUBP-CQSZACIVSA-N -2 3 354.343 0.762 20 0 FCADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001185566804 851363966 /nfs/dbraw/zinc/36/39/66/851363966.db2.gz UXHPCNWEJXNARU-UHFFFAOYSA-N -2 3 360.355 0.271 20 0 FCADHL Cc1oncc1S(=O)(=O)[N-]CC[N-]C(=O)C(F)(F)Br ZINC001187421705 851564393 /nfs/dbraw/zinc/56/43/93/851564393.db2.gz BNUPBBAROCVHGR-UHFFFAOYSA-N -2 3 362.152 0.365 20 0 FCADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001187590360 851583034 /nfs/dbraw/zinc/58/30/34/851583034.db2.gz JXJXTPGZUJRTGS-SECBINFHSA-N -2 3 359.791 0.829 20 0 FCADHL Cc1nc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)cc(=O)[n-]1 ZINC001189915903 851842692 /nfs/dbraw/zinc/84/26/92/851842692.db2.gz YUXZRYXUKKMQIP-UHFFFAOYSA-N -3 3 353.312 0.688 20 0 FCADHL CN(CCN1CCCC1)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189923922 851844192 /nfs/dbraw/zinc/84/41/92/851844192.db2.gz FWLKAGROCUBZOM-UHFFFAOYSA-N -2 3 356.400 0.799 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(O)CCOCC2)c(F)cc1F ZINC001195246603 852730475 /nfs/dbraw/zinc/73/04/75/852730475.db2.gz IRBLPZGCWRRQDL-UHFFFAOYSA-N -2 3 351.327 0.483 20 0 FCADHL CC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195248322 852731311 /nfs/dbraw/zinc/73/13/11/852731311.db2.gz FRGHRWRCQKKYRR-SECBINFHSA-N -2 3 362.354 0.952 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCC[C@@H](O)C2)c(F)cc1F ZINC001195259220 852732701 /nfs/dbraw/zinc/73/27/01/852732701.db2.gz ZUGQWJJNXKOKPV-SECBINFHSA-N -2 3 364.370 0.398 20 0 FCADHL COC(=O)CCCCS(=O)(=O)[N-]c1nc(N(C)C)[n-]c(=O)c1N=O ZINC001196923009 853030517 /nfs/dbraw/zinc/03/05/17/853030517.db2.gz ZWTVIFJUPWIKKG-UHFFFAOYSA-N -2 3 361.380 0.731 20 0 FCADHL COc1nc(Cl)ccc1S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001198722537 853307748 /nfs/dbraw/zinc/30/77/48/853307748.db2.gz FZIDGCZGUOYEOF-UHFFFAOYSA-N -2 3 358.740 0.980 20 0 FCADHL Nc1cn[n-]c(=N[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1Cl ZINC001253478912 857890830 /nfs/dbraw/zinc/89/08/30/857890830.db2.gz ODTVEDHISZMEKN-SSDOTTSWSA-N -2 3 359.799 0.176 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCNC2=O)c(F)cc1Cl ZINC001259212144 858248483 /nfs/dbraw/zinc/24/84/83/858248483.db2.gz HLRZGFCYBPYMDQ-UHFFFAOYSA-N -2 3 365.770 0.481 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCNC(=O)C2)c(F)cc1Cl ZINC001259222144 858249192 /nfs/dbraw/zinc/24/91/92/858249192.db2.gz JYIPYUISRWDUCI-LURJTMIESA-N -2 3 350.755 0.734 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CNC(=O)C2)c(F)cc1Cl ZINC001259223017 858249852 /nfs/dbraw/zinc/24/98/52/858249852.db2.gz MLLHWSUSKGDUCM-LURJTMIESA-N -2 3 350.755 0.592 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCOC2)c(F)cc1Cl ZINC001259224847 858250341 /nfs/dbraw/zinc/25/03/41/858250341.db2.gz RWNJHHSDFUNRNT-WRWORJQWSA-N -2 3 367.782 0.853 20 0 FCADHL C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)N1S(=O)(=O)[O-] ZINC001259513738 858272185 /nfs/dbraw/zinc/27/21/85/858272185.db2.gz GISJGAGZGXXZPM-CDUCUWFYSA-N -2 3 372.783 0.160 20 0 FCADHL Cn1c(=O)[nH]c(=O)c(N=O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260217400 858355745 /nfs/dbraw/zinc/35/57/45/858355745.db2.gz MWHKMYMWCHMAAG-UHFFFAOYSA-N -2 3 372.290 0.522 20 0 FCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]N2CCCC2=O)c(F)c1 ZINC001309747892 866880111 /nfs/dbraw/zinc/88/01/11/866880111.db2.gz OHRFOMXRZUBKIX-UHFFFAOYSA-N -2 3 351.381 0.013 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NS(=O)(=O)c3ccccc3[O-])C2)n1 ZINC001309854189 866931838 /nfs/dbraw/zinc/93/18/38/866931838.db2.gz MALXHKVOLWSZOQ-LLVKDONJSA-N -2 3 350.400 0.753 20 0 FCADHL O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001332539753 873549138 /nfs/dbraw/zinc/54/91/38/873549138.db2.gz NTOAHZORBLULEG-RXMQYKEDSA-N -2 3 362.713 0.868 20 0 FCADHL O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1n[nH]c(=O)[n-]1 ZINC000826458587 948342126 /nfs/dbraw/zinc/34/21/26/948342126.db2.gz WOINTOWZPJRVPK-UHFFFAOYSA-N -2 3 372.736 0.782 20 0 FCADHL O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1n[nH]c(=O)[n-]1 ZINC000826458587 948342130 /nfs/dbraw/zinc/34/21/30/948342130.db2.gz WOINTOWZPJRVPK-UHFFFAOYSA-N -2 3 372.736 0.782 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC001574470555 949510087 /nfs/dbraw/zinc/51/00/87/949510087.db2.gz FBEYOLCXWGZNDV-UHFFFAOYSA-N -2 3 353.343 0.374 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC001574470555 949510102 /nfs/dbraw/zinc/51/01/02/949510102.db2.gz FBEYOLCXWGZNDV-UHFFFAOYSA-N -2 3 353.343 0.374 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC001574472755 949558844 /nfs/dbraw/zinc/55/88/44/949558844.db2.gz VXZKTBQIOLDVQC-UHFFFAOYSA-N -2 3 371.333 0.513 20 0 FCADHL CC(C)n1nnc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC001574472755 949558860 /nfs/dbraw/zinc/55/88/60/949558860.db2.gz VXZKTBQIOLDVQC-UHFFFAOYSA-N -2 3 371.333 0.513 20 0 FCADHL C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncccc1[O-] ZINC001575926839 950724036 /nfs/dbraw/zinc/72/40/36/950724036.db2.gz MDQCXYVHTDYTGF-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ncccc1[O-] ZINC001575926839 950724055 /nfs/dbraw/zinc/72/40/55/950724055.db2.gz MDQCXYVHTDYTGF-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1ncccc1[O-] ZINC001575011168 950848809 /nfs/dbraw/zinc/84/88/09/950848809.db2.gz NHENEQPRULFOBQ-SECBINFHSA-N -2 3 370.373 0.186 20 0 FCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1OC ZINC001593355186 953357127 /nfs/dbraw/zinc/35/71/27/953357127.db2.gz MZSMYAXCMUIKPK-LBPRGKRZSA-N -2 3 371.371 0.625 20 0 FCADHL O=C([O-])[C@@H](NC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccc(F)cc1 ZINC001594798848 953720361 /nfs/dbraw/zinc/72/03/61/953720361.db2.gz NDADLROGGZTRPW-JTQLQIEISA-N -2 3 362.321 0.783 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594502976 955339424 /nfs/dbraw/zinc/33/94/24/955339424.db2.gz RHJUTBNNSRWXGG-LBPRGKRZSA-N -2 3 373.431 0.673 20 0 FCADHL Cc1ccc(C(=O)NCCC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c([O-])c1 ZINC001549305914 958280786 /nfs/dbraw/zinc/28/07/86/958280786.db2.gz MGEDKTGIZHJCBQ-SGTLLEGYSA-N -2 3 362.382 0.380 20 0 FCADHL O=C([O-])C1=NO[C@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)C1 ZINC001574643818 962364445 /nfs/dbraw/zinc/36/44/45/962364445.db2.gz IAYJWRIBCSVLST-LBPRGKRZSA-N -2 3 358.310 0.935 20 0 FCADHL O=C([O-])C1=NO[C@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)C1 ZINC001574643818 962364464 /nfs/dbraw/zinc/36/44/64/962364464.db2.gz IAYJWRIBCSVLST-LBPRGKRZSA-N -2 3 358.310 0.935 20 0 FCADHL O=C([O-])C1CCN(S(=O)(=O)[N-][C@@H]2CN(c3ccccc3)C2=O)CC1 ZINC001574656710 962467281 /nfs/dbraw/zinc/46/72/81/962467281.db2.gz JKAMLVHFHWRFAK-CYBMUJFWSA-N -2 3 353.400 0.033 20 0 FCADHL O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC001574668752 962537300 /nfs/dbraw/zinc/53/73/00/962537300.db2.gz IPCHEOCOBCOYOQ-LBPRGKRZSA-N -2 3 359.375 0.564 20 0 FCADHL O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cccc([O-])c1Br ZINC001574669476 962543147 /nfs/dbraw/zinc/54/31/47/962543147.db2.gz TTYUKYHNOGTTKC-VIFPVBQESA-N -2 3 364.217 0.838 20 0 FCADHL O=C([O-])CN1CCCC[C@@H](NC(=O)c2nnc3ccccc3c2[O-])C1=O ZINC001574723413 962796942 /nfs/dbraw/zinc/79/69/42/962796942.db2.gz HJMNONGUASUYNJ-GFCCVEGCSA-N -2 3 358.354 0.531 20 0 FCADHL C[C@H](CC(=O)N1CC(C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001588989290 962797560 /nfs/dbraw/zinc/79/75/60/962797560.db2.gz CHGCPTOUSDZCAO-MRVPVSSYSA-N -2 3 361.807 0.335 20 0 FCADHL CS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000314266205 963732406 /nfs/dbraw/zinc/73/24/06/963732406.db2.gz NLIGKBWVYLTASC-UHFFFAOYSA-N -2 3 374.799 0.005 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1F ZINC000403141854 973662867 /nfs/dbraw/zinc/66/28/67/973662867.db2.gz DLRFHKJQTJOVDC-ZDUSSCGKSA-N -2 3 351.327 0.483 20 0 FCADHL O=C([O-])c1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[nH]n1 ZINC001605698687 974120914 /nfs/dbraw/zinc/12/09/14/974120914.db2.gz JBNQVKYMFVCRCD-UHFFFAOYSA-N -2 3 364.792 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LPOFUUUFAZLXMM-CBAPKCEASA-N -2 3 362.354 0.985 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCS3(=O)=O)o1 ZINC000833323494 601988790 /nfs/dbraw/zinc/98/87/90/601988790.db2.gz WUPZJSXGVRSAEN-UHFFFAOYSA-N -2 3 371.392 0.786 20 0 FCADHL CC(C)CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824270790 607555616 /nfs/dbraw/zinc/55/56/16/607555616.db2.gz GZICDQYSCPLDJL-JTQLQIEISA-N -2 3 368.419 0.237 20 0 FCADHL CC(C)CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824270790 607555618 /nfs/dbraw/zinc/55/56/18/607555618.db2.gz GZICDQYSCPLDJL-JTQLQIEISA-N -2 3 368.419 0.237 20 0 FCADHL CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)C ZINC000830979209 604506642 /nfs/dbraw/zinc/50/66/42/604506642.db2.gz QOJMKFKEWHOKRQ-NSHDSACASA-N -2 3 350.343 0.712 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)c(Br)o1 ZINC000227115258 604511167 /nfs/dbraw/zinc/51/11/67/604511167.db2.gz FGSKSSCTMYLXGE-JTQLQIEISA-N -2 3 370.177 0.170 20 0 FCADHL CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])CC2 ZINC000833677271 605028644 /nfs/dbraw/zinc/02/86/44/605028644.db2.gz KSFAJGFLJVZSPX-ZETCQYMHSA-N -2 3 357.417 0.289 20 0 FCADHL C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833617391 605209868 /nfs/dbraw/zinc/20/98/68/605209868.db2.gz DADBYRQGYQSWAM-JOYOIKCWSA-N -2 3 356.400 0.903 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)CCCF ZINC000820543029 606134739 /nfs/dbraw/zinc/13/47/39/606134739.db2.gz SWTHUXRALFSRBS-SECBINFHSA-N -2 3 357.367 0.440 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)CCCF ZINC000820543029 606134741 /nfs/dbraw/zinc/13/47/41/606134741.db2.gz SWTHUXRALFSRBS-SECBINFHSA-N -2 3 357.367 0.440 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC000819867039 606176680 /nfs/dbraw/zinc/17/66/80/606176680.db2.gz QJXFTADELKPRRP-SECBINFHSA-N -2 3 361.387 0.209 20 0 FCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC000819867039 606176682 /nfs/dbraw/zinc/17/66/82/606176682.db2.gz QJXFTADELKPRRP-SECBINFHSA-N -2 3 361.387 0.209 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000821701694 606196940 /nfs/dbraw/zinc/19/69/40/606196940.db2.gz ZEUDVJZGPBRDLZ-UHFFFAOYSA-N -2 3 374.361 0.174 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000821701694 606196941 /nfs/dbraw/zinc/19/69/41/606196941.db2.gz ZEUDVJZGPBRDLZ-UHFFFAOYSA-N -2 3 374.361 0.174 20 0 FCADHL Cn1cnc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc21 ZINC000822699306 606359243 /nfs/dbraw/zinc/35/92/43/606359243.db2.gz VEWUUPCPXIINLR-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL Cn1cnc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc21 ZINC000822699306 606359245 /nfs/dbraw/zinc/35/92/45/606359245.db2.gz VEWUUPCPXIINLR-UHFFFAOYSA-N -2 3 356.371 0.949 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CC(F)(F)C1 ZINC000823285728 606627553 /nfs/dbraw/zinc/62/75/53/606627553.db2.gz ZYWUTTFHMNSYDJ-UHFFFAOYSA-N -2 3 357.342 0.858 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CC(F)(F)C1 ZINC000823285728 606627555 /nfs/dbraw/zinc/62/75/55/606627555.db2.gz ZYWUTTFHMNSYDJ-UHFFFAOYSA-N -2 3 357.342 0.858 20 0 FCADHL Cc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822472412 606642229 /nfs/dbraw/zinc/64/22/29/606642229.db2.gz RWEQBGFWLKGHHW-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822472412 606642230 /nfs/dbraw/zinc/64/22/30/606642230.db2.gz RWEQBGFWLKGHHW-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCCO1 ZINC000820577664 606745887 /nfs/dbraw/zinc/74/58/87/606745887.db2.gz TUACXNMRBZROFC-AWEZNQCLSA-N -2 3 351.388 0.382 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCCO1 ZINC000820577664 606745889 /nfs/dbraw/zinc/74/58/89/606745889.db2.gz TUACXNMRBZROFC-AWEZNQCLSA-N -2 3 351.388 0.382 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822940727 606746764 /nfs/dbraw/zinc/74/67/64/606746764.db2.gz BXDAZNDVSFOKJS-LBPRGKRZSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822940727 606746766 /nfs/dbraw/zinc/74/67/66/606746766.db2.gz BXDAZNDVSFOKJS-LBPRGKRZSA-N -2 3 365.415 0.772 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821681497 606749356 /nfs/dbraw/zinc/74/93/56/606749356.db2.gz MBRUGCRJDQWCIG-VIFPVBQESA-N -2 3 353.404 0.653 20 0 FCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821681497 606749358 /nfs/dbraw/zinc/74/93/58/606749358.db2.gz MBRUGCRJDQWCIG-VIFPVBQESA-N -2 3 353.404 0.653 20 0 FCADHL COC(=O)c1nscc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821671354 606752249 /nfs/dbraw/zinc/75/22/49/606752249.db2.gz SIHZVXWHEAVPLM-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL COC(=O)c1nscc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821671354 606752250 /nfs/dbraw/zinc/75/22/50/606752250.db2.gz SIHZVXWHEAVPLM-UHFFFAOYSA-N -2 3 366.384 0.911 20 0 FCADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822184719 606865967 /nfs/dbraw/zinc/86/59/67/606865967.db2.gz ZYQSELIZOCRHIC-UHFFFAOYSA-N -3 3 363.359 0.408 20 0 FCADHL CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821314553 606886590 /nfs/dbraw/zinc/88/65/90/606886590.db2.gz LXMFBKJBZTXBJU-ZCFIWIBFSA-N -2 3 361.330 0.375 20 0 FCADHL O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823546430 606887698 /nfs/dbraw/zinc/88/76/98/606887698.db2.gz CLNJTVWSMZLLEJ-SNVBAGLBSA-N -2 3 372.357 0.092 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC000820675131 606922515 /nfs/dbraw/zinc/92/25/15/606922515.db2.gz HYWQBEVMWSVEHS-WRWORJQWSA-N -2 3 371.806 0.893 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC000820675131 606922517 /nfs/dbraw/zinc/92/25/17/606922517.db2.gz HYWQBEVMWSVEHS-WRWORJQWSA-N -2 3 371.806 0.893 20 0 FCADHL COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821657330 606951799 /nfs/dbraw/zinc/95/17/99/606951799.db2.gz MCYVRWNFYHUCTA-VIFPVBQESA-N -2 3 367.387 0.179 20 0 FCADHL COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821657330 606951800 /nfs/dbraw/zinc/95/18/00/606951800.db2.gz MCYVRWNFYHUCTA-VIFPVBQESA-N -2 3 367.387 0.179 20 0 FCADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)n2ncc(-c3nnn[n-]3)c2N)n1 ZINC000822204167 607019027 /nfs/dbraw/zinc/01/90/27/607019027.db2.gz GOVDPSVSPAVXMR-UHFFFAOYSA-N -2 3 369.320 0.673 20 0 FCADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)n2ncc(-c3nn[n-]n3)c2N)n1 ZINC000822204167 607019028 /nfs/dbraw/zinc/01/90/28/607019028.db2.gz GOVDPSVSPAVXMR-UHFFFAOYSA-N -2 3 369.320 0.673 20 0 FCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccsc1 ZINC000823037144 607094129 /nfs/dbraw/zinc/09/41/29/607094129.db2.gz QXHRUIKSJQPDFY-UHFFFAOYSA-N -2 3 365.396 0.812 20 0 FCADHL O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(Br)cc1[O-] ZINC000823132088 607207810 /nfs/dbraw/zinc/20/78/10/607207810.db2.gz ZDIXGGCIWFNTQC-UHFFFAOYSA-N -2 3 365.151 0.565 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825076124 607778356 /nfs/dbraw/zinc/77/83/56/607778356.db2.gz TYQGBLACLMHOEI-SNVBAGLBSA-N -2 3 353.404 0.795 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825076124 607778357 /nfs/dbraw/zinc/77/83/57/607778357.db2.gz TYQGBLACLMHOEI-SNVBAGLBSA-N -2 3 353.404 0.795 20 0 FCADHL O=C([N-]S(=O)(=O)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449776 607778528 /nfs/dbraw/zinc/77/85/28/607778528.db2.gz JHQYLIBUONLFJF-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL O=C([N-]S(=O)(=O)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449776 607778529 /nfs/dbraw/zinc/77/85/29/607778529.db2.gz JHQYLIBUONLFJF-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000826461946 607847138 /nfs/dbraw/zinc/84/71/38/607847138.db2.gz KRQOIONPUOONHO-UHFFFAOYSA-N -3 3 364.318 0.900 20 0 FCADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000826461946 607847139 /nfs/dbraw/zinc/84/71/39/607847139.db2.gz KRQOIONPUOONHO-UHFFFAOYSA-N -3 3 364.318 0.900 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826358575 607925598 /nfs/dbraw/zinc/92/55/98/607925598.db2.gz ZDXFURXMGCJLAL-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826358575 607925599 /nfs/dbraw/zinc/92/55/99/607925599.db2.gz ZDXFURXMGCJLAL-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL CS[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826224514 607944898 /nfs/dbraw/zinc/94/48/98/607944898.db2.gz GUQKONVMOHQOSN-VIFPVBQESA-N -2 3 355.445 0.954 20 0 FCADHL CS[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826224514 607944899 /nfs/dbraw/zinc/94/48/99/607944899.db2.gz GUQKONVMOHQOSN-VIFPVBQESA-N -2 3 355.445 0.954 20 0 FCADHL CS[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826224789 607945033 /nfs/dbraw/zinc/94/50/33/607945033.db2.gz LSHZVYKRLWJFEB-SECBINFHSA-N -2 3 355.445 0.954 20 0 FCADHL CS[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826224789 607945034 /nfs/dbraw/zinc/94/50/34/607945034.db2.gz LSHZVYKRLWJFEB-SECBINFHSA-N -2 3 355.445 0.954 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826402987 607985526 /nfs/dbraw/zinc/98/55/26/607985526.db2.gz HFLOHHNEOMVXJA-BQYQJAHWSA-N -2 3 370.394 0.921 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826402987 607985527 /nfs/dbraw/zinc/98/55/27/607985527.db2.gz HFLOHHNEOMVXJA-BQYQJAHWSA-N -2 3 370.394 0.921 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402770 607985674 /nfs/dbraw/zinc/98/56/74/607985674.db2.gz BLEIBTWBFRLWNG-FPYGCLRLSA-N -2 3 356.367 0.780 20 0 FCADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826402770 607985675 /nfs/dbraw/zinc/98/56/75/607985675.db2.gz BLEIBTWBFRLWNG-FPYGCLRLSA-N -2 3 356.367 0.780 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826461434 608010800 /nfs/dbraw/zinc/01/08/00/608010800.db2.gz VAVSVWQUKJKRRP-ZETCQYMHSA-N -2 3 357.779 0.615 20 0 FCADHL CC(C)(CCC(=O)[O-])NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824152555 608011002 /nfs/dbraw/zinc/01/10/02/608011002.db2.gz HFSRDIVMVXLRDY-UHFFFAOYSA-N -2 3 353.404 0.930 20 0 FCADHL CC(C)(CCC(=O)[O-])NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824152555 608011003 /nfs/dbraw/zinc/01/10/03/608011003.db2.gz HFSRDIVMVXLRDY-UHFFFAOYSA-N -2 3 353.404 0.930 20 0 FCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1ccc(Br)c([O-])c1 ZINC000826394866 608120223 /nfs/dbraw/zinc/12/02/23/608120223.db2.gz CFOXUEULZKGAHR-UHFFFAOYSA-N -2 3 350.136 0.802 20 0 FCADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(Br)c([O-])c1 ZINC000826394866 608120224 /nfs/dbraw/zinc/12/02/24/608120224.db2.gz CFOXUEULZKGAHR-UHFFFAOYSA-N -2 3 350.136 0.802 20 0 FCADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824309369 608140909 /nfs/dbraw/zinc/14/09/09/608140909.db2.gz LEXLUJSDWVJRJH-UHFFFAOYSA-N -2 3 353.404 0.877 20 0 FCADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824309369 608140910 /nfs/dbraw/zinc/14/09/10/608140910.db2.gz LEXLUJSDWVJRJH-UHFFFAOYSA-N -2 3 353.404 0.877 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(F)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449662 608146705 /nfs/dbraw/zinc/14/67/05/608146705.db2.gz DIHATYIXSWZAQY-UHFFFAOYSA-N -2 3 350.335 0.594 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1cccc(F)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449662 608146706 /nfs/dbraw/zinc/14/67/06/608146706.db2.gz DIHATYIXSWZAQY-UHFFFAOYSA-N -2 3 350.335 0.594 20 0 FCADHL CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000825318844 608217042 /nfs/dbraw/zinc/21/70/42/608217042.db2.gz SQPKZBXKWGJPOQ-UHFFFAOYSA-N -2 3 356.346 0.515 20 0 FCADHL CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000825318844 608217044 /nfs/dbraw/zinc/21/70/44/608217044.db2.gz SQPKZBXKWGJPOQ-UHFFFAOYSA-N -2 3 356.346 0.515 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)n1 ZINC000826358001 608220550 /nfs/dbraw/zinc/22/05/50/608220550.db2.gz ZQEWHGCJJUFFJA-UHFFFAOYSA-N -2 3 361.387 0.726 20 0 FCADHL NC(=O)CCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826390653 608566393 /nfs/dbraw/zinc/56/63/93/608566393.db2.gz HOSACPBTNUBECS-UHFFFAOYSA-N -2 3 360.346 0.079 20 0 FCADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824894359 608759742 /nfs/dbraw/zinc/75/97/42/608759742.db2.gz YSHNJXNPLQAZMP-VXNVDRBHSA-N -2 3 359.358 0.991 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)nc1C ZINC000825805023 608822222 /nfs/dbraw/zinc/82/22/22/608822222.db2.gz OORMMQXENAAXPJ-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)nc1C ZINC000825805023 608822224 /nfs/dbraw/zinc/82/22/24/608822224.db2.gz OORMMQXENAAXPJ-UHFFFAOYSA-N -2 3 361.387 0.510 20 0 FCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826422038 609161943 /nfs/dbraw/zinc/16/19/43/609161943.db2.gz KCFGODIWQGISEB-GFCCVEGCSA-N -2 3 351.388 0.034 20 0 FCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826422038 609161945 /nfs/dbraw/zinc/16/19/45/609161945.db2.gz KCFGODIWQGISEB-GFCCVEGCSA-N -2 3 351.388 0.034 20 0 FCADHL O=C([N-]N1CN=NC1=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826461051 609286187 /nfs/dbraw/zinc/28/61/87/609286187.db2.gz DHFITUVPQMWBEO-UHFFFAOYSA-N -2 3 368.313 0.720 20 0 FCADHL O=C([N-]N1CN=NC1=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826461051 609286188 /nfs/dbraw/zinc/28/61/88/609286188.db2.gz DHFITUVPQMWBEO-UHFFFAOYSA-N -2 3 368.313 0.720 20 0 FCADHL CCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cn1 ZINC000825643276 609382630 /nfs/dbraw/zinc/38/26/30/609382630.db2.gz KIMNYXYBEXHUIY-UHFFFAOYSA-N -2 3 350.364 0.195 20 0 FCADHL CCOC(=O)COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840891112 664123627 /nfs/dbraw/zinc/12/36/27/664123627.db2.gz FYEBNCANXBUHFP-UHFFFAOYSA-N -2 3 367.326 0.521 20 0 FCADHL CN1C(=O)c2ccc(S(=O)(=O)[N-][N-]C(=O)C3CCCC3)cc2C1=O ZINC000047454505 664907926 /nfs/dbraw/zinc/90/79/26/664907926.db2.gz DEFZPOPXQIQWSU-UHFFFAOYSA-N -2 3 351.384 0.412 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccs1 ZINC000912558170 666458336 /nfs/dbraw/zinc/45/83/36/666458336.db2.gz KWMXVKFELJITTR-VIFPVBQESA-N -2 3 359.385 0.670 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)c2cccs2)cc1 ZINC000058091617 666561669 /nfs/dbraw/zinc/56/16/69/666561669.db2.gz WAMLUHWGJFJRKO-UHFFFAOYSA-N -2 3 353.425 0.796 20 0 FCADHL CC(C)NC(=O)C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000058246505 666565205 /nfs/dbraw/zinc/56/52/05/666565205.db2.gz XDRHCSZENAYKTE-UHFFFAOYSA-N -2 3 360.244 0.889 20 0 FCADHL NC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000776494034 668265406 /nfs/dbraw/zinc/26/54/06/668265406.db2.gz UGTBKYQPSVEEAB-RXMQYKEDSA-N -2 3 356.187 0.385 20 0 FCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCOCC(=O)[O-])c1F ZINC000776583283 668274348 /nfs/dbraw/zinc/27/43/48/668274348.db2.gz FKVXCXMDUZGHLA-UHFFFAOYSA-N -2 3 353.299 0.131 20 0 FCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-])s1 ZINC000776589382 668275746 /nfs/dbraw/zinc/27/57/46/668275746.db2.gz LHOUIYWQLMOCSR-ZETCQYMHSA-N -2 3 351.402 0.932 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@H](CC2CCOCC2)C(=O)[O-])nc1Cl ZINC000776602180 668277573 /nfs/dbraw/zinc/27/75/73/668277573.db2.gz RXHAVGWBWHFIDV-VIFPVBQESA-N -2 3 351.812 0.622 20 0 FCADHL CC(C)C[C@H](NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000820056293 669051856 /nfs/dbraw/zinc/05/18/56/669051856.db2.gz OLUKBHJFBDNEJV-LBPRGKRZSA-N -2 3 353.404 0.785 20 0 FCADHL CS(C)(=O)=NS(=O)(=O)[N-]c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000821185028 669166958 /nfs/dbraw/zinc/16/69/58/669166958.db2.gz JCCPMEZNNBZPJW-UHFFFAOYSA-N -2 3 350.374 0.540 20 0 FCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)[O-] ZINC000821245870 669171033 /nfs/dbraw/zinc/17/10/33/669171033.db2.gz BHOIQWMNODBJJR-JTQLQIEISA-N -2 3 358.807 0.751 20 0 FCADHL Cc1cccnc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822369988 669261664 /nfs/dbraw/zinc/26/16/64/669261664.db2.gz QTJPSMSOZKYUJH-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cccnc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822369988 669261669 /nfs/dbraw/zinc/26/16/69/669261669.db2.gz QTJPSMSOZKYUJH-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824866163 669421486 /nfs/dbraw/zinc/42/14/86/669421486.db2.gz LJPIWEQGDFTSAQ-ONGXEEELSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824866163 669421488 /nfs/dbraw/zinc/42/14/88/669421488.db2.gz LJPIWEQGDFTSAQ-ONGXEEELSA-N -2 3 351.388 0.487 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000825679897 669464461 /nfs/dbraw/zinc/46/44/61/669464461.db2.gz OMWICADLXDHMBK-CPCISQLKSA-N -2 3 357.367 0.783 20 0 FCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000825679897 669464465 /nfs/dbraw/zinc/46/44/65/669464465.db2.gz OMWICADLXDHMBK-CPCISQLKSA-N -2 3 357.367 0.783 20 0 FCADHL COCCCOCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826156557 669486077 /nfs/dbraw/zinc/48/60/77/669486077.db2.gz JPQBKVGZSDEYHM-UHFFFAOYSA-N -2 3 369.403 0.033 20 0 FCADHL COCCCOCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826156557 669486079 /nfs/dbraw/zinc/48/60/79/669486079.db2.gz JPQBKVGZSDEYHM-UHFFFAOYSA-N -2 3 369.403 0.033 20 0 FCADHL COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826180872 669486421 /nfs/dbraw/zinc/48/64/21/669486421.db2.gz ARLOORFPRKVXSY-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826180872 669486427 /nfs/dbraw/zinc/48/64/27/669486427.db2.gz ARLOORFPRKVXSY-UHFFFAOYSA-N -2 3 363.359 0.475 20 0 FCADHL COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c(C)c1F ZINC000826211449 669487345 /nfs/dbraw/zinc/48/73/45/669487345.db2.gz DRRCBZJFCNHPIK-UHFFFAOYSA-N -2 3 353.339 0.847 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(F)cc1F ZINC000826272647 669488756 /nfs/dbraw/zinc/48/87/56/669488756.db2.gz UNJOZNSVDLZLTE-UHFFFAOYSA-N -2 3 368.325 0.900 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(F)cc1F ZINC000826272647 669488762 /nfs/dbraw/zinc/48/87/62/669488762.db2.gz UNJOZNSVDLZLTE-UHFFFAOYSA-N -2 3 368.325 0.900 20 0 FCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1nnn[n-]1 ZINC000826322489 669490884 /nfs/dbraw/zinc/49/08/84/669490884.db2.gz ONHJIKJAQXNLDM-UHFFFAOYSA-N -2 3 357.787 0.394 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450257 669494105 /nfs/dbraw/zinc/49/41/05/669494105.db2.gz DHTSRBCCFQRWLG-UHFFFAOYSA-N -2 3 352.763 0.967 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450257 669494111 /nfs/dbraw/zinc/49/41/11/669494111.db2.gz DHTSRBCCFQRWLG-UHFFFAOYSA-N -2 3 352.763 0.967 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCOCC2)ccc1F ZINC000852960590 671534132 /nfs/dbraw/zinc/53/41/32/671534132.db2.gz JTQDYKXGJCVWRE-UHFFFAOYSA-N -2 3 360.363 0.097 20 0 FCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)s1 ZINC000853070651 671536597 /nfs/dbraw/zinc/53/65/97/671536597.db2.gz ZWKLXCBJMMQIBR-MRVPVSSYSA-N -2 3 361.397 0.995 20 0 FCADHL CN(C)[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccn1)C(F)(F)F ZINC000903509489 675935750 /nfs/dbraw/zinc/93/57/50/675935750.db2.gz LCUSVPMMNPWBNY-VIFPVBQESA-N -2 3 355.338 0.941 20 0 FCADHL CN1CCCC[C@H]1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000902064426 675824352 /nfs/dbraw/zinc/82/43/52/675824352.db2.gz DQZDZPRAAMNKTI-DCAQKATOSA-N -2 3 365.352 0.593 20 0 FCADHL O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)[C@]12C[C@H]1CCC2 ZINC001087259087 1180657796 /nfs/dbraw/zinc/65/77/96/1180657796.db2.gz XHFCTCZUFNPYCO-JDNHERCYSA-N -2 3 359.390 0.102 20 0 FCADHL O=C(c1ncccc1[O-])N1CC[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@@H]21 ZINC000975771753 1185740878 /nfs/dbraw/zinc/74/08/78/1185740878.db2.gz QLASXTTWWXGULY-AAEUAGOBSA-N -2 3 369.381 0.660 20 0 FCADHL C[C@@]12CN(C(=O)c3cnc[n-]c3=O)C[C@@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC000992827397 1197529893 /nfs/dbraw/zinc/52/98/93/1197529893.db2.gz SHYBLPUOSKPLMA-ZMZPIMSZSA-N -2 3 369.381 0.517 20 0 FCADHL CCOC(=O)c1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c([O-])c1 ZINC000740927578 1198052738 /nfs/dbraw/zinc/05/27/38/1198052738.db2.gz JELWUUKXLAUBRC-UHFFFAOYSA-N -2 3 357.326 0.592 20 0 FCADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc(=O)[nH][n-]3)c2)[n-]1 ZINC000791025478 1201122908 /nfs/dbraw/zinc/12/29/08/1201122908.db2.gz TZIARFQKCWEMRU-UHFFFAOYSA-N -2 3 356.342 0.141 20 0 FCADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc(=O)[nH][n-]3)c2)n[n-]1 ZINC000791025478 1201122915 /nfs/dbraw/zinc/12/29/15/1201122915.db2.gz TZIARFQKCWEMRU-UHFFFAOYSA-N -2 3 356.342 0.141 20 0 FCADHL O=S(=O)([N-]c1cccnc1OC1COC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566989 1206481855 /nfs/dbraw/zinc/48/18/55/1206481855.db2.gz VKGRYYFBXCDHJP-UHFFFAOYSA-N -2 3 374.382 0.840 20 0 FCADHL O=S(=O)([N-]c1cccnc1OC1COC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566989 1206481857 /nfs/dbraw/zinc/48/18/57/1206481857.db2.gz VKGRYYFBXCDHJP-UHFFFAOYSA-N -2 3 374.382 0.840 20 0 FCADHL Cc1cc(=O)oc2cc([O-])c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc12 ZINC001226532569 1225845914 /nfs/dbraw/zinc/84/59/14/1225845914.db2.gz TVWRJOXCZGQUKV-RTHLEPHNSA-N -3 3 366.278 0.249 20 0 FCADHL COC(=O)[C@H](Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12)c1cccc(F)c1 ZINC001226887253 1225857132 /nfs/dbraw/zinc/85/71/32/1225857132.db2.gz DGCZPEWGNXLSBK-SNVBAGLBSA-N -2 3 362.273 0.969 20 0 FCADHL COc1cc2[n-]cc(C(=O)N(C)C[C@H](C)c3nnn[n-]3)c(=O)c2c(OC)c1 ZINC001118856052 1221836848 /nfs/dbraw/zinc/83/68/48/1221836848.db2.gz CYLNKWXJVWVRCR-VIFPVBQESA-N -2 3 372.385 0.934 20 0 FCADHL COc1cc2[n-]cc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c(=O)c2c(OC)c1 ZINC001118856052 1221836850 /nfs/dbraw/zinc/83/68/50/1221836850.db2.gz CYLNKWXJVWVRCR-VIFPVBQESA-N -2 3 372.385 0.934 20 0 FCADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[n-]3)CC2)n1 ZINC001155609882 1223039622 /nfs/dbraw/zinc/03/96/22/1223039622.db2.gz KQWWRDICOCNFFK-UHFFFAOYSA-N -2 3 374.445 0.528 20 0 FCADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC001321047919 1263900267 /nfs/dbraw/zinc/90/02/67/1263900267.db2.gz AHPLHMLXUBDSFN-JTQLQIEISA-N -2 3 368.401 0.870 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575325111 1271930164 /nfs/dbraw/zinc/93/01/64/1271930164.db2.gz OJHYDCBREDEKDI-DTWKUNHWSA-N -2 3 370.373 0.232 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575357306 1271991831 /nfs/dbraw/zinc/99/18/31/1271991831.db2.gz XNHLQJKVMATIEZ-IUCAKERBSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575357306 1271991841 /nfs/dbraw/zinc/99/18/41/1271991841.db2.gz XNHLQJKVMATIEZ-IUCAKERBSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575843767 1272518075 /nfs/dbraw/zinc/51/80/75/1272518075.db2.gz OOLJRIIGYAUDIB-MRXNPFEDSA-N -2 3 367.373 0.156 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575843767 1272518077 /nfs/dbraw/zinc/51/80/77/1272518077.db2.gz OOLJRIIGYAUDIB-MRXNPFEDSA-N -2 3 367.373 0.156 20 0 FCADHL Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580695112 1278736538 /nfs/dbraw/zinc/73/65/38/1278736538.db2.gz RSBHHHUQQZBFME-VIFPVBQESA-N -2 3 355.362 0.296 20 0 FCADHL Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001580695112 1278736543 /nfs/dbraw/zinc/73/65/43/1278736543.db2.gz RSBHHHUQQZBFME-VIFPVBQESA-N -2 3 355.362 0.296 20 0 FCADHL CC[C@H](CNC(=O)c1ccccc1[O-])Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576900594 1273903146 /nfs/dbraw/zinc/90/31/46/1273903146.db2.gz PTYWZZNVBVVWIJ-SNVBAGLBSA-N -2 3 354.374 0.405 20 0 FCADHL Cc1cc(C(=O)N(C)CCOCc2cn[nH]n2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001577260053 1274286593 /nfs/dbraw/zinc/28/65/93/1274286593.db2.gz MXLAGNNQYZDGEC-UHFFFAOYSA-N -2 3 359.346 0.151 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])c1ccnc(-c2nn[n-]n2)n1 ZINC001578101507 1275404756 /nfs/dbraw/zinc/40/47/56/1275404756.db2.gz FZQVJAXWHBSDCV-UHFFFAOYSA-N -2 3 355.362 0.014 20 0 FCADHL CCN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)c1ccccc1[O-] ZINC001578134526 1275432322 /nfs/dbraw/zinc/43/23/22/1275432322.db2.gz XFBVODAUYNLJNZ-UHFFFAOYSA-N -2 3 354.374 0.358 20 0 FCADHL CN(c1ccnc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001579279620 1277093652 /nfs/dbraw/zinc/09/36/52/1277093652.db2.gz GZJMVHPZOHRZSC-NSHDSACASA-N -2 3 366.385 0.713 20 0 FCADHL COC(=O)c1cc(C(C)=O)c(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)[n-]1 ZINC001579476696 1277381564 /nfs/dbraw/zinc/38/15/64/1277381564.db2.gz YJERGXZNZREBBY-UHFFFAOYSA-N -2 3 369.341 0.760 20 0 FCADHL COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001579492346 1277405991 /nfs/dbraw/zinc/40/59/91/1277405991.db2.gz YEQHWHAFMMFORX-UHFFFAOYSA-N -2 3 364.343 0.120 20 0 FCADHL CC(C)[C@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603231073 1287336030 /nfs/dbraw/zinc/33/60/30/1287336030.db2.gz KCBWOPXZPQBFQE-NSHDSACASA-N -2 3 357.367 0.534 20 0 FCADHL CC(C)[C@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603231073 1287336034 /nfs/dbraw/zinc/33/60/34/1287336034.db2.gz KCBWOPXZPQBFQE-NSHDSACASA-N -2 3 357.367 0.534 20 0 FCADHL CC(C)(C)OC(=O)NC[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001603452008 1287375479 /nfs/dbraw/zinc/37/54/79/1287375479.db2.gz BQJXBKZOOXQJKL-SNVBAGLBSA-N -2 3 374.419 0.690 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)c1[O-] ZINC001581391728 1279821727 /nfs/dbraw/zinc/82/17/27/1279821727.db2.gz NRZJQZPUCIIYEL-SSDOTTSWSA-N -2 3 358.366 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)c1[O-] ZINC001581391674 1279822547 /nfs/dbraw/zinc/82/25/47/1279822547.db2.gz MGAHKZXYZILFPR-NSHDSACASA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)c1[O-] ZINC001581391825 1279823333 /nfs/dbraw/zinc/82/33/33/1279823333.db2.gz XYEJBQAVRVHQNE-UHFFFAOYSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)c1[O-] ZINC001581391825 1279823337 /nfs/dbraw/zinc/82/33/37/1279823337.db2.gz XYEJBQAVRVHQNE-UHFFFAOYSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001581392066 1279823753 /nfs/dbraw/zinc/82/37/53/1279823753.db2.gz UWEGWQGJFKVVGK-QMMMGPOBSA-N -2 3 357.378 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001581392066 1279823761 /nfs/dbraw/zinc/82/37/61/1279823761.db2.gz UWEGWQGJFKVVGK-QMMMGPOBSA-N -2 3 357.378 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1[O-] ZINC001581391880 1279824073 /nfs/dbraw/zinc/82/40/73/1279824073.db2.gz ZOFSOBPNKNOZPS-JGVFFNPUSA-N -2 3 372.393 0.403 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@H](C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1[O-] ZINC001581391880 1279824082 /nfs/dbraw/zinc/82/40/82/1279824082.db2.gz ZOFSOBPNKNOZPS-JGVFFNPUSA-N -2 3 372.393 0.403 20 0 FCADHL Cc1n[nH]c(C(=O)NCCN(C)c2cccc(F)c2-c2nnn[n-]2)c1[O-] ZINC001581391978 1279824453 /nfs/dbraw/zinc/82/44/53/1279824453.db2.gz QXXFUSXVYRRIFD-UHFFFAOYSA-N -2 3 360.353 0.609 20 0 FCADHL Cc1n[nH]c(C(=O)NCCN(C)c2cccc(F)c2-c2nn[n-]n2)c1[O-] ZINC001581391978 1279824463 /nfs/dbraw/zinc/82/44/63/1279824463.db2.gz QXXFUSXVYRRIFD-UHFFFAOYSA-N -2 3 360.353 0.609 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)C)c1[O-] ZINC001581392122 1279825893 /nfs/dbraw/zinc/82/58/93/1279825893.db2.gz WOTNGXZKKZMPOJ-LBPRGKRZSA-N -2 3 371.405 0.865 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)C)c1[O-] ZINC001581392122 1279825898 /nfs/dbraw/zinc/82/58/98/1279825898.db2.gz WOTNGXZKKZMPOJ-LBPRGKRZSA-N -2 3 371.405 0.865 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)c1[O-] ZINC001581392187 1279825957 /nfs/dbraw/zinc/82/59/57/1279825957.db2.gz ZBNIKWTVWHFXGB-ZETCQYMHSA-N -2 3 360.353 0.973 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)c1[O-] ZINC001581392187 1279825966 /nfs/dbraw/zinc/82/59/66/1279825966.db2.gz ZBNIKWTVWHFXGB-ZETCQYMHSA-N -2 3 360.353 0.973 20 0 FCADHL Cc1n[nH]c(C(=O)NCCN(C)c2snc(C)c2-c2nnn[n-]2)c1[O-] ZINC001581392178 1279826346 /nfs/dbraw/zinc/82/63/46/1279826346.db2.gz YUGAURSCQQNHLN-UHFFFAOYSA-N -2 3 363.407 0.235 20 0 FCADHL Cc1n[nH]c(C(=O)NCCN(C)c2snc(C)c2-c2nn[n-]n2)c1[O-] ZINC001581392178 1279826351 /nfs/dbraw/zinc/82/63/51/1279826351.db2.gz YUGAURSCQQNHLN-UHFFFAOYSA-N -2 3 363.407 0.235 20 0 FCADHL Cc1nc(C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001581424908 1279926015 /nfs/dbraw/zinc/92/60/15/1279926015.db2.gz ZXENUMGDXGROGJ-SNVBAGLBSA-N -2 3 358.362 0.764 20 0 FCADHL Cc1nc(C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001581424908 1279926016 /nfs/dbraw/zinc/92/60/16/1279926016.db2.gz ZXENUMGDXGROGJ-SNVBAGLBSA-N -2 3 358.362 0.764 20 0 FCADHL C[C@@H](CCO)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001603495626 1287392005 /nfs/dbraw/zinc/39/20/05/1287392005.db2.gz RQRBHHUBYIUKMH-MRVPVSSYSA-N -2 3 361.374 0.832 20 0 FCADHL Cc1noc([C@H]([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C(C)C)n1 ZINC001581626805 1280282290 /nfs/dbraw/zinc/28/22/90/1280282290.db2.gz HSUUWNSGKAAQEB-LLVKDONJSA-N -2 3 364.391 0.629 20 0 FCADHL CC(F)(F)C1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001603591740 1287430769 /nfs/dbraw/zinc/43/07/69/1287430769.db2.gz IGEHIXCKQVXGKU-UHFFFAOYSA-N -2 3 358.330 0.502 20 0 FCADHL CC(F)(F)C1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001603591740 1287430777 /nfs/dbraw/zinc/43/07/77/1287430777.db2.gz IGEHIXCKQVXGKU-UHFFFAOYSA-N -2 3 358.330 0.502 20 0 FCADHL Cn1[n-]c(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001581821420 1280567235 /nfs/dbraw/zinc/56/72/35/1280567235.db2.gz RMWKHQJSHQEMFB-LLVKDONJSA-N -2 3 369.389 0.418 20 0 FCADHL Cn1[n-]c(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001581821420 1280567240 /nfs/dbraw/zinc/56/72/40/1280567240.db2.gz RMWKHQJSHQEMFB-LLVKDONJSA-N -2 3 369.389 0.418 20 0 FCADHL Cn1[n-]c(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001581821421 1280568201 /nfs/dbraw/zinc/56/82/01/1280568201.db2.gz RMWKHQJSHQEMFB-NSHDSACASA-N -2 3 369.389 0.418 20 0 FCADHL Cn1[n-]c(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001581821421 1280568208 /nfs/dbraw/zinc/56/82/08/1280568208.db2.gz RMWKHQJSHQEMFB-NSHDSACASA-N -2 3 369.389 0.418 20 0 FCADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])C1(O)CCOCC1 ZINC001603647783 1287457238 /nfs/dbraw/zinc/45/72/38/1287457238.db2.gz WCZFKLKCOJCUEQ-UHFFFAOYSA-N -2 3 364.445 0.687 20 0 FCADHL CC(C)(CS(=O)(=O)[N-]CC(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC001603659568 1287459371 /nfs/dbraw/zinc/45/93/71/1287459371.db2.gz AQTCITMLDWDUDO-UHFFFAOYSA-N -2 3 354.428 0.996 20 0 FCADHL C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@H](C)C(=O)[O-] ZINC001603676671 1287466234 /nfs/dbraw/zinc/46/62/34/1287466234.db2.gz LKAPNJYDCJRCOI-BQBZGAKWSA-N -2 3 359.795 0.908 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603751644 1287487436 /nfs/dbraw/zinc/48/74/36/1287487436.db2.gz MCPGXWQENZSZGZ-AWEZNQCLSA-N -2 3 351.388 0.493 20 0 FCADHL O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1ncccc1[O-] ZINC001582314246 1281321386 /nfs/dbraw/zinc/32/13/86/1281321386.db2.gz JWVXRTWREXJZGB-NSHDSACASA-N -2 3 352.358 0.371 20 0 FCADHL O=C(NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ncccc1[O-] ZINC001582317987 1281334331 /nfs/dbraw/zinc/33/43/31/1281334331.db2.gz NFXXHNAUHJRBSV-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ncccc1[O-] ZINC001582317987 1281334343 /nfs/dbraw/zinc/33/43/43/1281334343.db2.gz NFXXHNAUHJRBSV-UHFFFAOYSA-N -2 3 367.373 0.156 20 0 FCADHL O=C(NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1)c1ncccc1[O-] ZINC001582392074 1281453781 /nfs/dbraw/zinc/45/37/81/1281453781.db2.gz HZQGWCVGHYJRJY-UHFFFAOYSA-N -2 3 352.358 0.737 20 0 FCADHL O=C(NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1)c1ncccc1[O-] ZINC001582394003 1281455427 /nfs/dbraw/zinc/45/54/27/1281455427.db2.gz SOXDXTPOGHZNIW-UHFFFAOYSA-N -2 3 352.358 0.737 20 0 FCADHL O=C(NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1)c1ncccc1[O-] ZINC001582394003 1281455431 /nfs/dbraw/zinc/45/54/31/1281455431.db2.gz SOXDXTPOGHZNIW-UHFFFAOYSA-N -2 3 352.358 0.737 20 0 FCADHL O=C(NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1ncccc1[O-] ZINC001582462833 1281582064 /nfs/dbraw/zinc/58/20/64/1281582064.db2.gz FZQJUQCYROIFNY-NSHDSACASA-N -2 3 366.385 0.619 20 0 FCADHL O=C(NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1ncccc1[O-] ZINC001582462833 1281582069 /nfs/dbraw/zinc/58/20/69/1281582069.db2.gz FZQJUQCYROIFNY-NSHDSACASA-N -2 3 366.385 0.619 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC001603845773 1287515624 /nfs/dbraw/zinc/51/56/24/1287515624.db2.gz MGOZRMNPCXVTQP-GIPNMCIBSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC001603845773 1287515626 /nfs/dbraw/zinc/51/56/26/1287515626.db2.gz MGOZRMNPCXVTQP-GIPNMCIBSA-N -2 3 365.415 0.626 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001582751845 1281978551 /nfs/dbraw/zinc/97/85/51/1281978551.db2.gz ZIRSRVHJZAWXHT-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL O=C(c1ncccc1[O-])N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001582751845 1281978554 /nfs/dbraw/zinc/97/85/54/1281978554.db2.gz ZIRSRVHJZAWXHT-SNVBAGLBSA-N -2 3 367.373 0.474 20 0 FCADHL C[C@H]1CN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)CC[C@@H]1C(=O)[O-] ZINC001603940641 1287541119 /nfs/dbraw/zinc/54/11/19/1287541119.db2.gz JHIALNDBUTXUFS-IUCAKERBSA-N -2 3 366.403 0.061 20 0 FCADHL C[C@H]1CN(c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)CC[C@@H]1C(=O)[O-] ZINC001603940641 1287541121 /nfs/dbraw/zinc/54/11/21/1287541121.db2.gz JHIALNDBUTXUFS-IUCAKERBSA-N -2 3 366.403 0.061 20 0 FCADHL O=c1cc(CN2CCS[C@H]3COCC[C@@H]32)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814787 1282036683 /nfs/dbraw/zinc/03/66/83/1282036683.db2.gz SFGDRNLXFNYGTN-RYUDHWBXSA-N -2 3 374.430 0.321 20 0 FCADHL O=c1cc(CN2CCS[C@H]3COCC[C@H]32)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814782 1282036945 /nfs/dbraw/zinc/03/69/45/1282036945.db2.gz SFGDRNLXFNYGTN-NEPJUHHUSA-N -2 3 374.430 0.321 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)C1 ZINC001604081758 1287567642 /nfs/dbraw/zinc/56/76/42/1287567642.db2.gz NJYQZMYIFVTLOA-CQSZACIVSA-N -2 3 366.403 0.446 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)C1 ZINC001604081758 1287567650 /nfs/dbraw/zinc/56/76/50/1287567650.db2.gz NJYQZMYIFVTLOA-CQSZACIVSA-N -2 3 366.403 0.446 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001604081666 1287567769 /nfs/dbraw/zinc/56/77/69/1287567769.db2.gz JQCUEERSWPVQER-OAHLLOKOSA-N -2 3 365.415 0.883 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001604081666 1287567774 /nfs/dbraw/zinc/56/77/74/1287567774.db2.gz JQCUEERSWPVQER-OAHLLOKOSA-N -2 3 365.415 0.883 20 0 FCADHL COc1ccc(NC(=O)CCCc2nnn[n-]2)cc1[N-]S(C)(=O)=O ZINC001588162300 1282405264 /nfs/dbraw/zinc/40/52/64/1282405264.db2.gz AQORIIPVUGJGOR-UHFFFAOYSA-N -2 3 354.392 0.541 20 0 FCADHL COc1ccc(NC(=O)CCCc2nn[n-]n2)cc1[N-]S(C)(=O)=O ZINC001588162300 1282405268 /nfs/dbraw/zinc/40/52/68/1282405268.db2.gz AQORIIPVUGJGOR-UHFFFAOYSA-N -2 3 354.392 0.541 20 0 FCADHL C[C@@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)n1cnc(-c2nnn[n-]2)n1 ZINC001589015441 1282769602 /nfs/dbraw/zinc/76/96/02/1282769602.db2.gz KOVWGZXKTVESPK-VIFPVBQESA-N -2 3 366.345 0.549 20 0 FCADHL C[C@@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589015441 1282769609 /nfs/dbraw/zinc/76/96/09/1282769609.db2.gz KOVWGZXKTVESPK-VIFPVBQESA-N -2 3 366.345 0.549 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001604268664 1287597230 /nfs/dbraw/zinc/59/72/30/1287597230.db2.gz UONUUIKMBJIGMS-MRVPVSSYSA-N -2 3 357.367 0.880 20 0 FCADHL CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589127363 1282803951 /nfs/dbraw/zinc/80/39/51/1282803951.db2.gz LKRPSFYJTITSSI-UHFFFAOYSA-N -2 3 353.404 0.988 20 0 FCADHL CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589127363 1282803959 /nfs/dbraw/zinc/80/39/59/1282803959.db2.gz LKRPSFYJTITSSI-UHFFFAOYSA-N -2 3 353.404 0.988 20 0 FCADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001589270104 1282825371 /nfs/dbraw/zinc/82/53/71/1282825371.db2.gz XUUPKSIEKKEBTN-UHFFFAOYSA-N -3 3 361.330 0.677 20 0 FCADHL CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)CC(=O)[O-] ZINC001589287333 1282830488 /nfs/dbraw/zinc/83/04/88/1282830488.db2.gz CJCKTHBYMRZHRJ-UHFFFAOYSA-N -2 3 357.367 0.785 20 0 FCADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589418049 1282876720 /nfs/dbraw/zinc/87/67/20/1282876720.db2.gz MSEFKDOBNJINCJ-KCJUWKMLSA-N -2 3 354.392 0.285 20 0 FCADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589418049 1282876730 /nfs/dbraw/zinc/87/67/30/1282876730.db2.gz MSEFKDOBNJINCJ-KCJUWKMLSA-N -2 3 354.392 0.285 20 0 FCADHL CC(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589456371 1282886434 /nfs/dbraw/zinc/88/64/34/1282886434.db2.gz FIGOTXNVBYNCCU-JTQLQIEISA-N -2 3 354.392 0.283 20 0 FCADHL CC(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589456371 1282886445 /nfs/dbraw/zinc/88/64/45/1282886445.db2.gz FIGOTXNVBYNCCU-JTQLQIEISA-N -2 3 354.392 0.283 20 0 FCADHL CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589673006 1282937084 /nfs/dbraw/zinc/93/70/84/1282937084.db2.gz NVTUZEJIXNRIMQ-MRVPVSSYSA-N -2 3 357.367 0.878 20 0 FCADHL CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589673006 1282937094 /nfs/dbraw/zinc/93/70/94/1282937094.db2.gz NVTUZEJIXNRIMQ-MRVPVSSYSA-N -2 3 357.367 0.878 20 0 FCADHL CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)NCCC(=O)[O-] ZINC001589695349 1282948429 /nfs/dbraw/zinc/94/84/29/1282948429.db2.gz NPVOQDJXIHSAJA-UHFFFAOYSA-N -2 3 360.374 0.195 20 0 FCADHL CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)NCCC(=O)[O-] ZINC001589695349 1282948444 /nfs/dbraw/zinc/94/84/44/1282948444.db2.gz NPVOQDJXIHSAJA-UHFFFAOYSA-N -2 3 360.374 0.195 20 0 FCADHL CC(C)n1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC001589783825 1282999022 /nfs/dbraw/zinc/99/90/22/1282999022.db2.gz QHQIZYSPWRYWSP-UHFFFAOYSA-N -2 3 352.355 0.979 20 0 FCADHL CC(C)n1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)n1 ZINC001589783825 1282999029 /nfs/dbraw/zinc/99/90/29/1282999029.db2.gz QHQIZYSPWRYWSP-UHFFFAOYSA-N -2 3 352.355 0.979 20 0 FCADHL C[C@@H](CCCC(=O)[O-])NS(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001589804731 1283017152 /nfs/dbraw/zinc/01/71/52/1283017152.db2.gz LLJDMSKUYPPISD-JTQLQIEISA-N -2 3 353.404 0.930 20 0 FCADHL C[C@@H](CCCC(=O)[O-])NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001589804731 1283017164 /nfs/dbraw/zinc/01/71/64/1283017164.db2.gz LLJDMSKUYPPISD-JTQLQIEISA-N -2 3 353.404 0.930 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1N=NC(=O)N1C ZINC001604356648 1287612585 /nfs/dbraw/zinc/61/25/85/1287612585.db2.gz PODKUXTWDBDSQO-YFKPBYRVSA-N -2 3 362.314 0.537 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)NCc1ccccc1 ZINC001604357711 1287612851 /nfs/dbraw/zinc/61/28/51/1287612851.db2.gz DUICZSRIOWIRQE-VIFPVBQESA-N -2 3 369.424 0.825 20 0 FCADHL C[C@H](CCCNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589815673 1283045328 /nfs/dbraw/zinc/04/53/28/1283045328.db2.gz GQZNSDLHHCIZKF-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL C[C@H](CCCNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589815673 1283045340 /nfs/dbraw/zinc/04/53/40/1283045340.db2.gz GQZNSDLHHCIZKF-SNVBAGLBSA-N -2 3 353.404 0.787 20 0 FCADHL C[C@H](CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)[O-] ZINC001589845192 1283078101 /nfs/dbraw/zinc/07/81/01/1283078101.db2.gz AAKNTGZGXGECEV-SSDOTTSWSA-N -2 3 359.795 0.861 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001590070746 1283201400 /nfs/dbraw/zinc/20/14/00/1283201400.db2.gz BTHJKWMQENYZAY-UHFFFAOYSA-N -2 3 352.376 0.137 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001590070746 1283201405 /nfs/dbraw/zinc/20/14/05/1283201405.db2.gz BTHJKWMQENYZAY-UHFFFAOYSA-N -2 3 352.376 0.137 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001590071169 1283202514 /nfs/dbraw/zinc/20/25/14/1283202514.db2.gz GPCCLMMVUHFOSG-AWEZNQCLSA-N -2 3 369.378 0.775 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001590071169 1283202523 /nfs/dbraw/zinc/20/25/23/1283202523.db2.gz GPCCLMMVUHFOSG-AWEZNQCLSA-N -2 3 369.378 0.775 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@H]1C(=O)[O-] ZINC001590098972 1283212386 /nfs/dbraw/zinc/21/23/86/1283212386.db2.gz ARZXYNUZLTURSA-NSHDSACASA-N -2 3 369.378 0.880 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@H]1C(=O)[O-] ZINC001590098972 1283212390 /nfs/dbraw/zinc/21/23/90/1283212390.db2.gz ARZXYNUZLTURSA-NSHDSACASA-N -2 3 369.378 0.880 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@@H](C(=O)[O-])CO1 ZINC001590106825 1283219147 /nfs/dbraw/zinc/21/91/47/1283219147.db2.gz VAJIAPLZVVTVGL-SNVBAGLBSA-N -2 3 367.387 0.119 20 0 FCADHL CC1(C)CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@@H](C(=O)[O-])CO1 ZINC001590106825 1283219153 /nfs/dbraw/zinc/21/91/53/1283219153.db2.gz VAJIAPLZVVTVGL-SNVBAGLBSA-N -2 3 367.387 0.119 20 0 FCADHL C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590162720 1283257609 /nfs/dbraw/zinc/25/76/09/1283257609.db2.gz DANUTPOSNXJGLI-BDAKNGLRSA-N -2 3 364.387 0.072 20 0 FCADHL C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590162720 1283257616 /nfs/dbraw/zinc/25/76/16/1283257616.db2.gz DANUTPOSNXJGLI-BDAKNGLRSA-N -2 3 364.387 0.072 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590165830 1283260207 /nfs/dbraw/zinc/26/02/07/1283260207.db2.gz OXOIMLWNOSBXAO-RDDDGLTNSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590165830 1283260211 /nfs/dbraw/zinc/26/02/11/1283260211.db2.gz OXOIMLWNOSBXAO-RDDDGLTNSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C(=O)O1 ZINC001590208519 1283328082 /nfs/dbraw/zinc/32/80/82/1283328082.db2.gz XCLWMDOPCYXWTH-CDUCUWFYSA-N -2 3 359.314 0.127 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@@H]1C(=O)[O-] ZINC001590261569 1283385609 /nfs/dbraw/zinc/38/56/09/1283385609.db2.gz OXSVHHHTWYPOMW-CABZTGNLSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@@H]1C(=O)[O-] ZINC001590261569 1283385613 /nfs/dbraw/zinc/38/56/13/1283385613.db2.gz OXSVHHHTWYPOMW-CABZTGNLSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1C(=O)[O-] ZINC001590275637 1283403264 /nfs/dbraw/zinc/40/32/64/1283403264.db2.gz FFZLEBDQIMCJML-HQJQHLMTSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001590276745 1283405253 /nfs/dbraw/zinc/40/52/53/1283405253.db2.gz QZCXRQIOWXZKIS-CPCISQLKSA-N -2 3 355.351 0.490 20 0 FCADHL C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590354044 1283495430 /nfs/dbraw/zinc/49/54/30/1283495430.db2.gz RMHDDMAYRCHNPY-PKRMOACSSA-N -2 3 359.358 0.750 20 0 FCADHL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001590370602 1283505438 /nfs/dbraw/zinc/50/54/38/1283505438.db2.gz HEQSWRXBKFMKQT-NSHDSACASA-N -2 3 357.367 0.631 20 0 FCADHL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001590370602 1283505449 /nfs/dbraw/zinc/50/54/49/1283505449.db2.gz HEQSWRXBKFMKQT-NSHDSACASA-N -2 3 357.367 0.631 20 0 FCADHL CC[C@@](C)(CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590381371 1283508141 /nfs/dbraw/zinc/50/81/41/1283508141.db2.gz KAOXYCLZRPUGLM-ZDUSSCGKSA-N -2 3 357.367 0.785 20 0 FCADHL CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590489597 1283562786 /nfs/dbraw/zinc/56/27/86/1283562786.db2.gz SFAKZAZSBKQRND-LBPRGKRZSA-N -2 3 357.417 0.946 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590677299 1283726061 /nfs/dbraw/zinc/72/60/61/1283726061.db2.gz WJPNDFFPQCVVBQ-SNVBAGLBSA-N -2 3 353.404 0.882 20 0 FCADHL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590677299 1283726065 /nfs/dbraw/zinc/72/60/65/1283726065.db2.gz WJPNDFFPQCVVBQ-SNVBAGLBSA-N -2 3 353.404 0.882 20 0 FCADHL CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[n-]n2c1nccc2=O ZINC001590749270 1283800799 /nfs/dbraw/zinc/80/07/99/1283800799.db2.gz XNWBZKXNUOHBMZ-UHFFFAOYSA-N -2 3 365.357 0.887 20 0 FCADHL CCO[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(C)C ZINC001590797912 1283860518 /nfs/dbraw/zinc/86/05/18/1283860518.db2.gz DMFLQSYTJNLCRE-LBPRGKRZSA-N -2 3 368.419 0.518 20 0 FCADHL CCO[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(C)C ZINC001590797912 1283860524 /nfs/dbraw/zinc/86/05/24/1283860524.db2.gz DMFLQSYTJNLCRE-LBPRGKRZSA-N -2 3 368.419 0.518 20 0 FCADHL CCc1nnc(N2CCC(c3n[nH]c(=O)[n-]3)CC2)c(-c2nnn[n-]2)c1CC ZINC001590930738 1283981823 /nfs/dbraw/zinc/98/18/23/1283981823.db2.gz AGJARTVLNLBORC-UHFFFAOYSA-N -2 3 370.421 0.989 20 0 FCADHL CCc1nnc(N2CCC(c3n[nH]c(=O)[n-]3)CC2)c(-c2nn[n-]n2)c1CC ZINC001590930738 1283981832 /nfs/dbraw/zinc/98/18/32/1283981832.db2.gz AGJARTVLNLBORC-UHFFFAOYSA-N -2 3 370.421 0.989 20 0 FCADHL CCn1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)nn1 ZINC001590953359 1284003694 /nfs/dbraw/zinc/00/36/94/1284003694.db2.gz HLXUGASJFCCBOR-UHFFFAOYSA-N -2 3 370.345 0.235 20 0 FCADHL CCn1cnc(S(=O)(=O)[N-]c2cnc(Cl)cc2-c2nnn[n-]2)c1 ZINC001590963711 1284016505 /nfs/dbraw/zinc/01/65/05/1284016505.db2.gz JDSCBUXBQDYNOI-UHFFFAOYSA-N -2 3 354.783 0.932 20 0 FCADHL CCn1cnc(S(=O)(=O)[N-]c2cnc(Cl)cc2-c2nn[n-]n2)c1 ZINC001590963711 1284016514 /nfs/dbraw/zinc/01/65/14/1284016514.db2.gz JDSCBUXBQDYNOI-UHFFFAOYSA-N -2 3 354.783 0.932 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc(-c2nnn[n-]2)c1 ZINC001591027151 1284086758 /nfs/dbraw/zinc/08/67/58/1284086758.db2.gz AVAXAYXRYYCALV-UHFFFAOYSA-N -2 3 364.431 0.935 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc(-c2nn[n-]n2)c1 ZINC001591027151 1284086764 /nfs/dbraw/zinc/08/67/64/1284086764.db2.gz AVAXAYXRYYCALV-UHFFFAOYSA-N -2 3 364.431 0.935 20 0 FCADHL CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001591039152 1284100157 /nfs/dbraw/zinc/10/01/57/1284100157.db2.gz VLUOTULKFRUYLZ-UHFFFAOYSA-N -2 3 365.293 0.591 20 0 FCADHL CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001591039152 1284100161 /nfs/dbraw/zinc/10/01/61/1284100161.db2.gz VLUOTULKFRUYLZ-UHFFFAOYSA-N -2 3 365.293 0.591 20 0 FCADHL CN(CCCn1ccnc1)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591090799 1284163743 /nfs/dbraw/zinc/16/37/43/1284163743.db2.gz XNOMEZALLGMHEH-UHFFFAOYSA-N -2 3 354.378 0.334 20 0 FCADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c(C)c1 ZINC001591213337 1284345826 /nfs/dbraw/zinc/34/58/26/1284345826.db2.gz IFZBPDWWPGOGOG-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c(C)c1 ZINC001591213337 1284345832 /nfs/dbraw/zinc/34/58/32/1284345832.db2.gz IFZBPDWWPGOGOG-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001591230776 1284373387 /nfs/dbraw/zinc/37/33/87/1284373387.db2.gz RFRVTUNKQLFCHU-ZCFIWIBFSA-N -2 3 373.778 0.141 20 0 FCADHL COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001591230776 1284373399 /nfs/dbraw/zinc/37/33/99/1284373399.db2.gz RFRVTUNKQLFCHU-ZCFIWIBFSA-N -2 3 373.778 0.141 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nn1 ZINC001591296897 1284451074 /nfs/dbraw/zinc/45/10/74/1284451074.db2.gz VGOMILMZASFNRT-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nn1 ZINC001591296897 1284451078 /nfs/dbraw/zinc/45/10/78/1284451078.db2.gz VGOMILMZASFNRT-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1cnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001591306177 1284456603 /nfs/dbraw/zinc/45/66/03/1284456603.db2.gz ZOMJDDMMOYYAGK-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1cnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001591306177 1284456608 /nfs/dbraw/zinc/45/66/08/1284456608.db2.gz ZOMJDDMMOYYAGK-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001604670279 1287720161 /nfs/dbraw/zinc/72/01/61/1287720161.db2.gz ANYREQXUUBWJIN-UHFFFAOYSA-N -2 3 373.398 0.764 20 0 FCADHL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001591421138 1284572104 /nfs/dbraw/zinc/57/21/04/1284572104.db2.gz RCFUCASDRYETCC-SNVBAGLBSA-N -2 3 369.403 0.285 20 0 FCADHL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001591421138 1284572113 /nfs/dbraw/zinc/57/21/13/1284572113.db2.gz RCFUCASDRYETCC-SNVBAGLBSA-N -2 3 369.403 0.285 20 0 FCADHL CO[N-]C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001591467149 1284636755 /nfs/dbraw/zinc/63/67/55/1284636755.db2.gz KEBZYBAHJZKIHK-UHFFFAOYSA-N -2 3 355.314 0.670 20 0 FCADHL CO[N-]C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001591467149 1284636764 /nfs/dbraw/zinc/63/67/64/1284636764.db2.gz KEBZYBAHJZKIHK-UHFFFAOYSA-N -2 3 355.314 0.670 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001591499366 1284679992 /nfs/dbraw/zinc/67/99/92/1284679992.db2.gz DQRVPWQJXKVORT-WVQJBOLRSA-N -2 3 373.369 0.624 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001591499366 1284680005 /nfs/dbraw/zinc/68/00/05/1284680005.db2.gz DQRVPWQJXKVORT-WVQJBOLRSA-N -2 3 373.369 0.624 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C(C)C ZINC001591505409 1284688984 /nfs/dbraw/zinc/68/89/84/1284688984.db2.gz HAYAGJQJXFPYDW-QWRGUYRKSA-N -2 3 365.415 0.972 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C(C)C ZINC001591505409 1284688987 /nfs/dbraw/zinc/68/89/87/1284688987.db2.gz HAYAGJQJXFPYDW-QWRGUYRKSA-N -2 3 365.415 0.972 20 0 FCADHL COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001591507207 1284693965 /nfs/dbraw/zinc/69/39/65/1284693965.db2.gz WPPCIINHHVNGGB-UHFFFAOYSA-N -2 3 365.375 0.418 20 0 FCADHL COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001591507207 1284693971 /nfs/dbraw/zinc/69/39/71/1284693971.db2.gz WPPCIINHHVNGGB-UHFFFAOYSA-N -2 3 365.375 0.418 20 0 FCADHL COc1ncc(NC(=O)c2cnc(SC)[n-]c2=O)cc1-c1nnn[n-]1 ZINC001591668297 1284800668 /nfs/dbraw/zinc/80/06/68/1284800668.db2.gz WOEWPIVYZQATBS-UHFFFAOYSA-N -2 3 360.359 0.740 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)C2CCC2)cc(-c2nnn[n-]2)c1 ZINC001604698788 1287739868 /nfs/dbraw/zinc/73/98/68/1287739868.db2.gz SVXPQWISYMIIPD-UHFFFAOYSA-N -2 3 350.404 0.545 20 0 FCADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)C2CCC2)cc(-c2nn[n-]n2)c1 ZINC001604698788 1287739873 /nfs/dbraw/zinc/73/98/73/1287739873.db2.gz SVXPQWISYMIIPD-UHFFFAOYSA-N -2 3 350.404 0.545 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC001591733531 1284863257 /nfs/dbraw/zinc/86/32/57/1284863257.db2.gz GRSQWWCYFTWRLG-MFKMUULPSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC001591733531 1284863266 /nfs/dbraw/zinc/86/32/66/1284863266.db2.gz GRSQWWCYFTWRLG-MFKMUULPSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001591752418 1284879500 /nfs/dbraw/zinc/87/95/00/1284879500.db2.gz HJXRGWJANUXKMX-RKDXNWHRSA-N -2 3 369.378 0.880 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cccc1-c1nnn[n-]1 ZINC001591810384 1284920460 /nfs/dbraw/zinc/92/04/60/1284920460.db2.gz RVZMQQAXKMGEEQ-SNVBAGLBSA-N -2 3 351.388 0.414 20 0 FCADHL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cccc1-c1nn[n-]n1 ZINC001591810384 1284920469 /nfs/dbraw/zinc/92/04/69/1284920469.db2.gz RVZMQQAXKMGEEQ-SNVBAGLBSA-N -2 3 351.388 0.414 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2 ZINC001591870481 1284956227 /nfs/dbraw/zinc/95/62/27/1284956227.db2.gz MSVKSAMUNXBLDQ-UHFFFAOYSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2 ZINC001591870481 1284956235 /nfs/dbraw/zinc/95/62/35/1284956235.db2.gz MSVKSAMUNXBLDQ-UHFFFAOYSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC001591872798 1284959367 /nfs/dbraw/zinc/95/93/67/1284959367.db2.gz CNNXWEWIKDFJCP-NSHDSACASA-N -2 3 369.403 0.332 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC001591872798 1284959374 /nfs/dbraw/zinc/95/93/74/1284959374.db2.gz CNNXWEWIKDFJCP-NSHDSACASA-N -2 3 369.403 0.332 20 0 FCADHL Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ncc1-c1nnn[n-]1 ZINC001591913546 1285004075 /nfs/dbraw/zinc/00/40/75/1285004075.db2.gz OCBLQTBYBDUKLS-VIFPVBQESA-N -2 3 355.362 0.414 20 0 FCADHL Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ncc1-c1nn[n-]n1 ZINC001591913546 1285004084 /nfs/dbraw/zinc/00/40/84/1285004084.db2.gz OCBLQTBYBDUKLS-VIFPVBQESA-N -2 3 355.362 0.414 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)ns1 ZINC001591929679 1285015746 /nfs/dbraw/zinc/01/57/46/1285015746.db2.gz KDUHNSOILUJBCQ-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)ns1 ZINC001591929679 1285015757 /nfs/dbraw/zinc/01/57/57/1285015757.db2.gz KDUHNSOILUJBCQ-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC001591988796 1285041175 /nfs/dbraw/zinc/04/11/75/1285041175.db2.gz FSINMBCNCUMPTO-UHFFFAOYSA-N -2 3 357.367 0.798 20 0 FCADHL Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001591991046 1285046439 /nfs/dbraw/zinc/04/64/39/1285046439.db2.gz TXBGZDACEDWYJJ-LDYMZIIASA-N -2 3 369.378 0.940 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1-c1nnn[n-]1 ZINC001592064125 1285101088 /nfs/dbraw/zinc/10/10/88/1285101088.db2.gz TYNNCHCNKWGSFQ-JOYOIKCWSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001592064125 1285101093 /nfs/dbraw/zinc/10/10/93/1285101093.db2.gz TYNNCHCNKWGSFQ-JOYOIKCWSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cc(S(=O)(=O)NCC(C)(C)CC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592066720 1285106943 /nfs/dbraw/zinc/10/69/43/1285106943.db2.gz ZKUSAZSLTPMKBM-UHFFFAOYSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(S(=O)(=O)NCC(C)(C)CC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592066720 1285106952 /nfs/dbraw/zinc/10/69/52/1285106952.db2.gz ZKUSAZSLTPMKBM-UHFFFAOYSA-N -2 3 353.404 0.954 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]CCn2cnc(-c3nnn[n-]3)n2)sc1Cl ZINC001592066269 1285107375 /nfs/dbraw/zinc/10/73/75/1285107375.db2.gz VJHQLQUUENEBPG-UHFFFAOYSA-N -2 3 374.839 0.460 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2nc3ncccn3n2)ccc1-c1nnn[n-]1 ZINC001592067469 1285108313 /nfs/dbraw/zinc/10/83/13/1285108313.db2.gz HGSBRTPZMVNAOL-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2nc3ncccn3n2)ccc1-c1nn[n-]n1 ZINC001592067469 1285108316 /nfs/dbraw/zinc/10/83/16/1285108316.db2.gz HGSBRTPZMVNAOL-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)CO1 ZINC001592109466 1285144240 /nfs/dbraw/zinc/14/42/40/1285144240.db2.gz MUUKOUSAWXUVEU-KCJUWKMLSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)CO1 ZINC001592109466 1285144259 /nfs/dbraw/zinc/14/42/59/1285144259.db2.gz MUUKOUSAWXUVEU-KCJUWKMLSA-N -2 3 351.388 0.405 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001592111176 1285145904 /nfs/dbraw/zinc/14/59/04/1285145904.db2.gz WCGACVJFUDIZPS-LLVKDONJSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001592111176 1285145907 /nfs/dbraw/zinc/14/59/07/1285145907.db2.gz WCGACVJFUDIZPS-LLVKDONJSA-N -2 3 351.388 0.707 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CSC1CC1 ZINC001592111137 1285146454 /nfs/dbraw/zinc/14/64/54/1285146454.db2.gz TVATZCIUKRKPJK-UHFFFAOYSA-N -2 3 353.429 0.876 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CSC1CC1 ZINC001592111137 1285146462 /nfs/dbraw/zinc/14/64/62/1285146462.db2.gz TVATZCIUKRKPJK-UHFFFAOYSA-N -2 3 353.429 0.876 20 0 FCADHL Cc1ccc(C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)cc1-c1nn[n-]n1 ZINC001592129811 1285157570 /nfs/dbraw/zinc/15/75/70/1285157570.db2.gz CKPBJLISLFTZPM-UHFFFAOYSA-N -2 3 374.382 0.780 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592189403 1285173797 /nfs/dbraw/zinc/17/37/97/1285173797.db2.gz BWSRDXYEKBRNQM-BXKDBHETSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592189403 1285173804 /nfs/dbraw/zinc/17/38/04/1285173804.db2.gz BWSRDXYEKBRNQM-BXKDBHETSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC([C@H](C)C(=O)[O-])C2)c(-c2nnn[n-]2)c1 ZINC001592193337 1285176786 /nfs/dbraw/zinc/17/67/86/1285176786.db2.gz UQLWYYSIKDYYCB-VIFPVBQESA-N -2 3 351.388 0.516 20 0 FCADHL Cc1ccc(S(=O)(=O)N2CC([C@H](C)C(=O)[O-])C2)c(-c2nn[n-]n2)c1 ZINC001592193337 1285176787 /nfs/dbraw/zinc/17/67/87/1285176787.db2.gz UQLWYYSIKDYYCB-VIFPVBQESA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001592213579 1285185347 /nfs/dbraw/zinc/18/53/47/1285185347.db2.gz FRKUBXIFRDYQIN-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001592213579 1285185356 /nfs/dbraw/zinc/18/53/56/1285185356.db2.gz FRKUBXIFRDYQIN-JTQLQIEISA-N -2 3 351.388 0.660 20 0 FCADHL Cc1cccc(=O)n1C[C@@](C)(O)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592218031 1285186123 /nfs/dbraw/zinc/18/61/23/1285186123.db2.gz IYTFRPTYZGFMNF-QGZVFWFLSA-N -2 3 370.369 0.198 20 0 FCADHL Cc1cccc(=O)n1C[C@@](C)(O)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592218031 1285186126 /nfs/dbraw/zinc/18/61/26/1285186126.db2.gz IYTFRPTYZGFMNF-QGZVFWFLSA-N -2 3 370.369 0.198 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC3(C)CC2(C(=O)[O-])C3)c1-c1nnn[n-]1 ZINC001592239036 1285194071 /nfs/dbraw/zinc/19/40/71/1285194071.db2.gz BOFKBHNCTPTZSG-UHFFFAOYSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1cccc(S(=O)(=O)N2CC3(C)CC2(C(=O)[O-])C3)c1-c1nn[n-]n1 ZINC001592239036 1285194076 /nfs/dbraw/zinc/19/40/76/1285194076.db2.gz BOFKBHNCTPTZSG-UHFFFAOYSA-N -2 3 363.399 0.803 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC001592412665 1285328428 /nfs/dbraw/zinc/32/84/28/1285328428.db2.gz IWPQRSZKIWRNAU-GZMMTYOYSA-N -2 3 366.403 0.301 20 0 FCADHL Cc1ncc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001592412665 1285328442 /nfs/dbraw/zinc/32/84/42/1285328442.db2.gz IWPQRSZKIWRNAU-GZMMTYOYSA-N -2 3 366.403 0.301 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592413611 1285331307 /nfs/dbraw/zinc/33/13/07/1285331307.db2.gz MXAUTVVCCIDYKC-NSHDSACASA-N -2 3 368.419 0.738 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592413611 1285331313 /nfs/dbraw/zinc/33/13/13/1285331313.db2.gz MXAUTVVCCIDYKC-NSHDSACASA-N -2 3 368.419 0.738 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592414135 1285334858 /nfs/dbraw/zinc/33/48/58/1285334858.db2.gz RIVWNTDXEPBIHG-LLVKDONJSA-N -2 3 352.376 0.102 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592414135 1285334864 /nfs/dbraw/zinc/33/48/64/1285334864.db2.gz RIVWNTDXEPBIHG-LLVKDONJSA-N -2 3 352.376 0.102 20 0 FCADHL Cc1nn(C)c(N2CCN(c3cccc(C(=O)[O-])n3)CC2)c1-c1nnn[n-]1 ZINC001592443320 1285380990 /nfs/dbraw/zinc/38/09/90/1285380990.db2.gz YEGVOGOTIWSPQH-UHFFFAOYSA-N -2 3 369.389 0.328 20 0 FCADHL Cc1nn(C)c(N2CCN(c3cccc(C(=O)[O-])n3)CC2)c1-c1nn[n-]n1 ZINC001592443320 1285381000 /nfs/dbraw/zinc/38/10/00/1285381000.db2.gz YEGVOGOTIWSPQH-UHFFFAOYSA-N -2 3 369.389 0.328 20 0 FCADHL Cc1nsc(N2CCN(C(=O)c3cncc([O-])c3)CC2)c1-c1nnn[n-]1 ZINC001592475337 1285414261 /nfs/dbraw/zinc/41/42/61/1285414261.db2.gz QVBUEZQKGXVYOW-UHFFFAOYSA-N -2 3 372.414 0.695 20 0 FCADHL Cc1sccc1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592524840 1285446633 /nfs/dbraw/zinc/44/66/33/1285446633.db2.gz VVEUVEXLSPBHQW-UHFFFAOYSA-N -2 3 364.412 0.679 20 0 FCADHL Cc1sccc1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592524840 1285446637 /nfs/dbraw/zinc/44/66/37/1285446637.db2.gz VVEUVEXLSPBHQW-UHFFFAOYSA-N -2 3 364.412 0.679 20 0 FCADHL Cn1cc(-c2nnc([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)o2)cn1 ZINC001592558288 1285469650 /nfs/dbraw/zinc/46/96/50/1285469650.db2.gz ZQZCMSBWZWBSJC-UHFFFAOYSA-N -2 3 373.358 0.451 20 0 FCADHL Cn1cc(-c2nnc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)o2)cn1 ZINC001592558288 1285469655 /nfs/dbraw/zinc/46/96/55/1285469655.db2.gz ZQZCMSBWZWBSJC-UHFFFAOYSA-N -2 3 373.358 0.451 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cn1 ZINC001592566669 1285477885 /nfs/dbraw/zinc/47/78/85/1285477885.db2.gz FDKVJPGDHDERCS-SREVYHEPSA-N -2 3 373.398 0.260 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cn1 ZINC001592566669 1285477893 /nfs/dbraw/zinc/47/78/93/1285477893.db2.gz FDKVJPGDHDERCS-SREVYHEPSA-N -2 3 373.398 0.260 20 0 FCADHL Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cn1 ZINC001592568615 1285483679 /nfs/dbraw/zinc/48/36/79/1285483679.db2.gz YVPQVGPSLGXLPK-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC001592568615 1285483692 /nfs/dbraw/zinc/48/36/92/1285483692.db2.gz YVPQVGPSLGXLPK-UHFFFAOYSA-N -2 3 361.387 0.038 20 0 FCADHL Cn1cnc(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC001592587925 1285516740 /nfs/dbraw/zinc/51/67/40/1285516740.db2.gz YTGOGNTUNNSNCQ-UHFFFAOYSA-N -2 3 369.357 0.399 20 0 FCADHL Cn1[n-]c(-c2nnc(N3Cc4cccc(-c5nnn[n-]5)c4C3)n2C)cc1=O ZINC001592592351 1285525975 /nfs/dbraw/zinc/52/59/75/1285525975.db2.gz ZQRDDAJWQORMMJ-UHFFFAOYSA-N -2 3 364.373 0.622 20 0 FCADHL Cn1[n-]c(-c2nnc(N3Cc4cccc(-c5nn[n-]n5)c4C3)n2C)cc1=O ZINC001592592351 1285525983 /nfs/dbraw/zinc/52/59/83/1285525983.db2.gz ZQRDDAJWQORMMJ-UHFFFAOYSA-N -2 3 364.373 0.622 20 0 FCADHL Cn1nc(C(=O)[O-])cc1CN1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592593516 1285526846 /nfs/dbraw/zinc/52/68/46/1285526846.db2.gz HUFVINJXCDMLKY-OAHLLOKOSA-N -2 3 369.385 0.872 20 0 FCADHL Cn1nc(C(=O)[O-])cc1CN1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592593516 1285526849 /nfs/dbraw/zinc/52/68/49/1285526849.db2.gz HUFVINJXCDMLKY-OAHLLOKOSA-N -2 3 369.385 0.872 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592606826 1285546924 /nfs/dbraw/zinc/54/69/24/1285546924.db2.gz MEJXWFKCHGSWJH-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592606826 1285546931 /nfs/dbraw/zinc/54/69/31/1285546931.db2.gz MEJXWFKCHGSWJH-UHFFFAOYSA-N -2 3 367.778 0.372 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c(F)c1 ZINC001592736176 1285650355 /nfs/dbraw/zinc/65/03/55/1285650355.db2.gz YFHURSPGHOGYQU-UHFFFAOYSA-N -2 3 352.307 0.499 20 0 FCADHL CCc1noc2ncc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc12 ZINC001609256465 1289022201 /nfs/dbraw/zinc/02/22/01/1289022201.db2.gz LTYXUGMCEPIJAL-UHFFFAOYSA-N -2 3 361.347 0.489 20 0 FCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001592753215 1285675032 /nfs/dbraw/zinc/67/50/32/1285675032.db2.gz SZZIFXBDNLMFIW-UHFFFAOYSA-N -2 3 371.748 0.879 20 0 FCADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001592753215 1285675042 /nfs/dbraw/zinc/67/50/42/1285675042.db2.gz SZZIFXBDNLMFIW-UHFFFAOYSA-N -2 3 371.748 0.879 20 0 FCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001592753521 1285675607 /nfs/dbraw/zinc/67/56/07/1285675607.db2.gz VDZIRUVMTLYKGX-UHFFFAOYSA-N -2 3 368.126 0.941 20 0 FCADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001592753521 1285675612 /nfs/dbraw/zinc/67/56/12/1285675612.db2.gz VDZIRUVMTLYKGX-UHFFFAOYSA-N -2 3 368.126 0.941 20 0 FCADHL O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001592823293 1285738858 /nfs/dbraw/zinc/73/88/58/1285738858.db2.gz HUSWPACNEJDXSG-NSHDSACASA-N -2 3 369.378 0.521 20 0 FCADHL O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001592823293 1285738865 /nfs/dbraw/zinc/73/88/65/1285738865.db2.gz HUSWPACNEJDXSG-NSHDSACASA-N -2 3 369.378 0.521 20 0 FCADHL O=C(CNC(=O)c1cccc(F)c1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592870920 1285779846 /nfs/dbraw/zinc/77/98/46/1285779846.db2.gz RSFFLKRNDSFTFR-UHFFFAOYSA-N -2 3 356.317 0.846 20 0 FCADHL O=C(CNC(=O)c1cccc(F)c1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592870920 1285779855 /nfs/dbraw/zinc/77/98/55/1285779855.db2.gz RSFFLKRNDSFTFR-UHFFFAOYSA-N -2 3 356.317 0.846 20 0 FCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592888246 1285795968 /nfs/dbraw/zinc/79/59/68/1285795968.db2.gz QYIKIDXHRMIKIU-LLVKDONJSA-N -2 3 370.373 0.475 20 0 FCADHL O=C([O-])C1(CNC(=O)N2CC(Oc3ccc(-c4nn[n-]n4)cc3)C2)CCC1 ZINC001593017098 1285899827 /nfs/dbraw/zinc/89/98/27/1285899827.db2.gz LJZWMFJBBYVBDG-UHFFFAOYSA-N -2 3 372.385 0.894 20 0 FCADHL O=C(NCc1nc(=O)o[n-]1)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001593153045 1286022714 /nfs/dbraw/zinc/02/27/14/1286022714.db2.gz SLDPIXSELQJUIE-UHFFFAOYSA-N -2 3 354.286 0.128 20 0 FCADHL O=C(NCc1nc(=O)o[n-]1)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001593153045 1286022718 /nfs/dbraw/zinc/02/27/18/1286022718.db2.gz SLDPIXSELQJUIE-UHFFFAOYSA-N -2 3 354.286 0.128 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001593169591 1286025598 /nfs/dbraw/zinc/02/55/98/1286025598.db2.gz YQPXPXQEWRDIKD-QMMMGPOBSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001593169591 1286025603 /nfs/dbraw/zinc/02/56/03/1286025603.db2.gz YQPXPXQEWRDIKD-QMMMGPOBSA-N -2 3 366.765 0.543 20 0 FCADHL O=C([N-]S(=O)(=O)[C@H]1CCOC1)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001593170428 1286025909 /nfs/dbraw/zinc/02/59/09/1286025909.db2.gz KEQLIAPMCUDTNX-LBPRGKRZSA-N -2 3 363.399 0.133 20 0 FCADHL O=C([N-]S(=O)(=O)[C@H]1CCOC1)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001593170428 1286025913 /nfs/dbraw/zinc/02/59/13/1286025913.db2.gz KEQLIAPMCUDTNX-LBPRGKRZSA-N -2 3 363.399 0.133 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(C(=O)Nc1ccc(-c3nnn[n-]3)c(F)c1)C2 ZINC001593215439 1286044380 /nfs/dbraw/zinc/04/43/80/1286044380.db2.gz PSIHQKUZFQQHAX-ANRSDYALSA-N -2 3 362.321 0.571 20 0 FCADHL O=C([O-])[C@]12COC[C@H]1CN(C(=O)Nc1ccc(-c3nn[n-]n3)c(F)c1)C2 ZINC001593215439 1286044382 /nfs/dbraw/zinc/04/43/82/1286044382.db2.gz PSIHQKUZFQQHAX-ANRSDYALSA-N -2 3 362.321 0.571 20 0 FCADHL O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001593273470 1286057594 /nfs/dbraw/zinc/05/75/94/1286057594.db2.gz GYTWOJQBHLJNND-VXNVDRBHSA-N -2 3 353.335 0.313 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001593274541 1286057842 /nfs/dbraw/zinc/05/78/42/1286057842.db2.gz NKOWDSKEJARRPJ-LLVKDONJSA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001593274541 1286057845 /nfs/dbraw/zinc/05/78/45/1286057845.db2.gz NKOWDSKEJARRPJ-LLVKDONJSA-N -2 3 355.351 0.385 20 0 FCADHL O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001593276624 1286059506 /nfs/dbraw/zinc/05/95/06/1286059506.db2.gz QHQKVFYBGFVHGY-SKDRFNHKSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001593276624 1286059512 /nfs/dbraw/zinc/05/95/12/1286059512.db2.gz QHQKVFYBGFVHGY-SKDRFNHKSA-N -2 3 367.387 0.025 20 0 FCADHL O=C([O-])CCCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001593277534 1286060166 /nfs/dbraw/zinc/06/01/66/1286060166.db2.gz CCSNUGHOSTYWHJ-UHFFFAOYSA-N -2 3 357.367 0.680 20 0 FCADHL O=C([O-])C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001593278204 1286060320 /nfs/dbraw/zinc/06/03/20/1286060320.db2.gz VERIUVOGPQNDED-JTQLQIEISA-N -2 3 351.388 0.493 20 0 FCADHL O=C([O-])C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001593278204 1286060324 /nfs/dbraw/zinc/06/03/24/1286060324.db2.gz VERIUVOGPQNDED-JTQLQIEISA-N -2 3 351.388 0.493 20 0 FCADHL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001593277198 1286060432 /nfs/dbraw/zinc/06/04/32/1286060432.db2.gz UBDKLAJTTPYXIX-LLVKDONJSA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001593277198 1286060434 /nfs/dbraw/zinc/06/04/34/1286060434.db2.gz UBDKLAJTTPYXIX-LLVKDONJSA-N -2 3 355.351 0.537 20 0 FCADHL O=C([O-])CCCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001593278156 1286060886 /nfs/dbraw/zinc/06/08/86/1286060886.db2.gz SZAJCEXUQVCIFK-CYBMUJFWSA-N -2 3 360.374 0.814 20 0 FCADHL O=C([O-])CCCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001593278156 1286060887 /nfs/dbraw/zinc/06/08/87/1286060887.db2.gz SZAJCEXUQVCIFK-CYBMUJFWSA-N -2 3 360.374 0.814 20 0 FCADHL O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC001593278936 1286061652 /nfs/dbraw/zinc/06/16/52/1286061652.db2.gz HUBALUQZLXHECM-ZKCHVHJHSA-N -2 3 357.779 0.662 20 0 FCADHL O=C([O-])CCNC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001593278441 1286061687 /nfs/dbraw/zinc/06/16/87/1286061687.db2.gz FPCOLYHKMNKNEV-UHFFFAOYSA-N -2 3 363.353 0.312 20 0 FCADHL O=C([O-])CCNC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001593278441 1286061689 /nfs/dbraw/zinc/06/16/89/1286061689.db2.gz FPCOLYHKMNKNEV-UHFFFAOYSA-N -2 3 363.353 0.312 20 0 FCADHL O=C([O-])CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001593278661 1286061872 /nfs/dbraw/zinc/06/18/72/1286061872.db2.gz SBBRZUPLCNPNHQ-UHFFFAOYSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001593278661 1286061876 /nfs/dbraw/zinc/06/18/76/1286061876.db2.gz SBBRZUPLCNPNHQ-UHFFFAOYSA-N -2 3 355.351 0.634 20 0 FCADHL O=C([O-])[C@H]1CCCN(C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)C1 ZINC001593278790 1286062106 /nfs/dbraw/zinc/06/21/06/1286062106.db2.gz BERYMFKURZXRBH-JSGCOSHPSA-N -2 3 356.386 0.840 20 0 FCADHL O=C([O-])[C@H]1CCCN(C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)C1 ZINC001593278790 1286062107 /nfs/dbraw/zinc/06/21/07/1286062107.db2.gz BERYMFKURZXRBH-JSGCOSHPSA-N -2 3 356.386 0.840 20 0 FCADHL O=C([N-]CCOCCOC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001593290196 1286065837 /nfs/dbraw/zinc/06/58/37/1286065837.db2.gz GLYRMORICUNKCR-UHFFFAOYSA-N -2 3 374.279 0.114 20 0 FCADHL O=C([N-]CCOCCOC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001593290196 1286065840 /nfs/dbraw/zinc/06/58/40/1286065840.db2.gz GLYRMORICUNKCR-UHFFFAOYSA-N -2 3 374.279 0.114 20 0 FCADHL O=C([N-]OCCN1CCCC1=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001593392145 1286111060 /nfs/dbraw/zinc/11/10/60/1286111060.db2.gz MBTGDLQXHJAFJP-UHFFFAOYSA-N -2 3 366.328 0.629 20 0 FCADHL O=C([N-]OCCN1CCCC1=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001593392145 1286111066 /nfs/dbraw/zinc/11/10/66/1286111066.db2.gz MBTGDLQXHJAFJP-UHFFFAOYSA-N -2 3 366.328 0.629 20 0 FCADHL O=c1cc(CSCCN2CCOCC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593538906 1286200302 /nfs/dbraw/zinc/20/03/02/1286200302.db2.gz BBDHSQQGUYSQRI-UHFFFAOYSA-N -2 3 362.419 0.180 20 0 FCADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)COCc2ocnc2C(=O)[O-])n1 ZINC001600064600 1286434903 /nfs/dbraw/zinc/43/49/03/1286434903.db2.gz VQPCFBVZTWLEPG-UHFFFAOYSA-N -2 3 350.331 0.745 20 0 FCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c(C)o1 ZINC001609302675 1289076196 /nfs/dbraw/zinc/07/61/96/1289076196.db2.gz CKMPXANAYIPQGI-UHFFFAOYSA-N -2 3 353.320 0.079 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](O)[C@H](C)c2ccccc2)c1C(=O)[O-] ZINC001600672261 1286522747 /nfs/dbraw/zinc/52/27/47/1286522747.db2.gz BINAIWRSOYTEQT-BXKDBHETSA-N -2 3 353.400 0.859 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(F)cc2)c1C(=O)[O-] ZINC001600672697 1286524083 /nfs/dbraw/zinc/52/40/83/1286524083.db2.gz HMGJFOVXVHDYJN-JTQLQIEISA-N -2 3 357.363 0.610 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CCO)Cc2ccccc2)c1C(=O)[O-] ZINC001600672924 1286524212 /nfs/dbraw/zinc/52/42/12/1286524212.db2.gz KXRLVQHVGFGFAD-LBPRGKRZSA-N -2 3 353.400 0.688 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCN(C3CCCCC3)C2=O)c1C(=O)[O-] ZINC001600673407 1286525095 /nfs/dbraw/zinc/52/50/95/1286525095.db2.gz PWSTYVCSZRJASL-NSHDSACASA-N -2 3 370.431 0.628 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1C(=O)[O-] ZINC001600673445 1286525114 /nfs/dbraw/zinc/52/51/14/1286525114.db2.gz QNESZFDDANHSKB-DTWKUNHWSA-N -2 3 365.433 0.050 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2=O)c1C(=O)[O-] ZINC001600673406 1286525324 /nfs/dbraw/zinc/52/53/24/1286525324.db2.gz PWSTYVCSZRJASL-LLVKDONJSA-N -2 3 370.431 0.628 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCN2C(=O)OC(C)(C)C)c1C(=O)[O-] ZINC001600675034 1286525881 /nfs/dbraw/zinc/52/58/81/1286525881.db2.gz YVELKFIKDDSSTA-SECBINFHSA-N -2 3 374.419 0.704 20 0 FCADHL Cn1cc([C@]2(C[N-]S(=O)(=O)c3cc(C(=O)[O-])co3)CCCO2)cn1 ZINC001600945715 1286576886 /nfs/dbraw/zinc/57/68/86/1286576886.db2.gz MZSMHOBZXFWVKL-CQSZACIVSA-N -2 3 355.372 0.696 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)c(Br)n1 ZINC001600968522 1286584889 /nfs/dbraw/zinc/58/48/89/1286584889.db2.gz ZCIKFKCYGUTXFM-ZETCQYMHSA-N -2 3 352.210 0.714 20 0 FCADHL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001609324159 1289095193 /nfs/dbraw/zinc/09/51/93/1289095193.db2.gz OUKYHMHEDRRAEN-JTQLQIEISA-N -2 3 369.403 0.285 20 0 FCADHL O=C([O-])C1(CS(=O)(=O)[N-]CC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC001601326875 1286729149 /nfs/dbraw/zinc/72/91/49/1286729149.db2.gz BZIAJSUQPQKOSI-UHFFFAOYSA-N -2 3 366.317 0.827 20 0 FCADHL O=C([O-])[C@H]1CCC[C@@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001601375871 1286735536 /nfs/dbraw/zinc/73/55/36/1286735536.db2.gz CVEWHELJHJRMDX-XPUUQOCRSA-N -2 3 360.164 0.081 20 0 FCADHL O=C([O-])[C@@H]1CCc2sc(NC(=O)NCCCc3c[n-][nH]c3=O)nc2C1 ZINC001601494789 1286766819 /nfs/dbraw/zinc/76/68/19/1286766819.db2.gz JSYYEOLHPPYXJH-RKDXNWHRSA-N -2 3 365.415 0.966 20 0 FCADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001601511602 1286774537 /nfs/dbraw/zinc/77/45/37/1286774537.db2.gz QIMFOTLIKOUIQU-NKWVEPMBSA-N -2 3 352.821 0.517 20 0 FCADHL O=C([O-])[C@@H](CC1OCCO1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001601646738 1286799312 /nfs/dbraw/zinc/79/93/12/1286799312.db2.gz WSQDUNSJNDTJQH-MRVPVSSYSA-N -2 3 354.743 0.369 20 0 FCADHL O=C([O-])[C@H](CCC1OCCO1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001601645471 1286799559 /nfs/dbraw/zinc/79/95/59/1286799559.db2.gz RRCZYOSILIVMIN-JTQLQIEISA-N -2 3 351.327 0.849 20 0 FCADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2cccc(Br)n2)CCOC1 ZINC001601711492 1286811921 /nfs/dbraw/zinc/81/19/21/1286811921.db2.gz SSGGILBMWDSIID-NSHDSACASA-N -2 3 365.205 0.614 20 0 FCADHL O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001601757385 1286824397 /nfs/dbraw/zinc/82/43/97/1286824397.db2.gz GXYGALUALDOTLI-DGCLKSJQSA-N -2 3 352.293 0.856 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nc(SC)n[nH]1 ZINC001609339295 1289108797 /nfs/dbraw/zinc/10/87/97/1289108797.db2.gz MQKXNXNXEXNIOK-UHFFFAOYSA-N -2 3 368.404 0.516 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nc(SC)n[nH]1 ZINC001609339295 1289108798 /nfs/dbraw/zinc/10/87/98/1289108798.db2.gz MQKXNXNXEXNIOK-UHFFFAOYSA-N -2 3 368.404 0.516 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001609339451 1289109755 /nfs/dbraw/zinc/10/97/55/1289109755.db2.gz SWDFWZZNPNLQKU-LLVKDONJSA-N -2 3 355.376 0.263 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001609339451 1289109758 /nfs/dbraw/zinc/10/97/58/1289109758.db2.gz SWDFWZZNPNLQKU-LLVKDONJSA-N -2 3 355.376 0.263 20 0 FCADHL O=C([O-])CCNC(=O)CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001602019378 1286902989 /nfs/dbraw/zinc/90/29/89/1286902989.db2.gz KRSHUIJMQJNIOG-UHFFFAOYSA-N -2 3 354.306 0.363 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CN3CCC[C@@H]3CO2)oc1Cl ZINC001602296101 1286986913 /nfs/dbraw/zinc/98/69/13/1286986913.db2.gz LYMRBZNPZFRUEE-BDAKNGLRSA-N -2 3 364.807 0.773 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC001602400874 1286997936 /nfs/dbraw/zinc/99/79/36/1286997936.db2.gz UEJNKSOIICVDIS-UHFFFAOYSA-N -2 3 350.356 0.631 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC001602506642 1287017906 /nfs/dbraw/zinc/01/79/06/1287017906.db2.gz ISTRRKLEZOWFHV-RDDDGLTNSA-N -2 3 371.337 0.870 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2)C1 ZINC001602506591 1287017965 /nfs/dbraw/zinc/01/79/65/1287017965.db2.gz FVLNSEZNTLWLDM-NSHDSACASA-N -2 3 350.400 0.913 20 0 FCADHL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001602956328 1287170042 /nfs/dbraw/zinc/17/00/42/1287170042.db2.gz PTIQKSPZYBNJGE-UHFFFAOYSA-N -2 3 373.398 0.751 20 0 FCADHL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001602956328 1287170045 /nfs/dbraw/zinc/17/00/45/1287170045.db2.gz PTIQKSPZYBNJGE-UHFFFAOYSA-N -2 3 373.398 0.751 20 0 FCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001603032144 1287193719 /nfs/dbraw/zinc/19/37/19/1287193719.db2.gz OACNXFVRMYLOHA-ZETCQYMHSA-N -2 3 371.806 0.861 20 0 FCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1 ZINC001603074729 1287203253 /nfs/dbraw/zinc/20/32/53/1287203253.db2.gz SLAPOUNXJFRFDB-NSHDSACASA-N -2 3 370.383 0.065 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CCC(=O)[O-])C1CC1 ZINC001609388661 1289133593 /nfs/dbraw/zinc/13/35/93/1289133593.db2.gz BPJHHYFDSVDENP-UHFFFAOYSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CCC(=O)[O-])C1CC1 ZINC001609388661 1289133598 /nfs/dbraw/zinc/13/35/98/1289133598.db2.gz BPJHHYFDSVDENP-UHFFFAOYSA-N -2 3 351.388 0.803 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC001609387530 1289133716 /nfs/dbraw/zinc/13/37/16/1289133716.db2.gz DDXOBLMRVCLBJT-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC001609387530 1289133721 /nfs/dbraw/zinc/13/37/21/1289133721.db2.gz DDXOBLMRVCLBJT-UHFFFAOYSA-N -2 3 358.383 0.830 20 0 FCADHL COC(=O)Cc1cccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001604946132 1287818356 /nfs/dbraw/zinc/81/83/56/1287818356.db2.gz FHVQDAWMQUFQKB-UHFFFAOYSA-N -2 3 374.382 0.778 20 0 FCADHL COC(=O)Cc1cccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001604946132 1287818360 /nfs/dbraw/zinc/81/83/60/1287818360.db2.gz FHVQDAWMQUFQKB-UHFFFAOYSA-N -2 3 374.382 0.778 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001605043571 1287850705 /nfs/dbraw/zinc/85/07/05/1287850705.db2.gz XMDJZRFOMGEFNJ-UHFFFAOYSA-N -2 3 371.394 0.624 20 0 FCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001605043571 1287850712 /nfs/dbraw/zinc/85/07/12/1287850712.db2.gz XMDJZRFOMGEFNJ-UHFFFAOYSA-N -2 3 371.394 0.624 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)ns1 ZINC001609395550 1289136902 /nfs/dbraw/zinc/13/69/02/1289136902.db2.gz RGUGATMQRWGBQX-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)ns1 ZINC001609395550 1289136905 /nfs/dbraw/zinc/13/69/05/1289136905.db2.gz RGUGATMQRWGBQX-UHFFFAOYSA-N -2 3 364.412 0.891 20 0 FCADHL COc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)nc1 ZINC001605340036 1287929170 /nfs/dbraw/zinc/92/91/70/1287929170.db2.gz DCZWCNCVEFVMIA-UHFFFAOYSA-N -2 3 351.323 0.605 20 0 FCADHL COc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)nc1 ZINC001605340036 1287929172 /nfs/dbraw/zinc/92/91/72/1287929172.db2.gz DCZWCNCVEFVMIA-UHFFFAOYSA-N -2 3 351.323 0.605 20 0 FCADHL CCN(C(=O)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1ccccc1 ZINC001605395832 1287949350 /nfs/dbraw/zinc/94/93/50/1287949350.db2.gz GYUHNFAUOHWBEX-UHFFFAOYSA-N -2 3 366.399 0.748 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001609415584 1289143901 /nfs/dbraw/zinc/14/39/01/1289143901.db2.gz AIECCZLUGXSEKD-UHFFFAOYSA-N -2 3 360.374 0.731 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001609415584 1289143905 /nfs/dbraw/zinc/14/39/05/1289143905.db2.gz AIECCZLUGXSEKD-UHFFFAOYSA-N -2 3 360.374 0.731 20 0 FCADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)[N-]OC1CCOCC1 ZINC001605457347 1287967147 /nfs/dbraw/zinc/96/71/47/1287967147.db2.gz JNGMJWRPMSRKCY-UHFFFAOYSA-N -2 3 362.390 0.744 20 0 FCADHL Cc1c(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cccc1-c1nnn[n-]1 ZINC001605494143 1287981682 /nfs/dbraw/zinc/98/16/82/1287981682.db2.gz FNCYQUHDOZJCGL-UHFFFAOYSA-N -2 3 358.358 0.485 20 0 FCADHL Cc1c(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cccc1-c1nn[n-]n1 ZINC001605494143 1287981689 /nfs/dbraw/zinc/98/16/89/1287981689.db2.gz FNCYQUHDOZJCGL-UHFFFAOYSA-N -2 3 358.358 0.485 20 0 FCADHL Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)cc1C(N)=O ZINC001609427871 1289146937 /nfs/dbraw/zinc/14/69/37/1289146937.db2.gz OHCYPGFMPVRAOH-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609435803 1289149617 /nfs/dbraw/zinc/14/96/17/1289149617.db2.gz KUGJIGYWIFJEFZ-UHFFFAOYSA-N -2 3 358.383 0.618 20 0 FCADHL Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609435803 1289149622 /nfs/dbraw/zinc/14/96/22/1289149622.db2.gz KUGJIGYWIFJEFZ-UHFFFAOYSA-N -2 3 358.383 0.618 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)ccc1-c1nn[n-]n1 ZINC001605753687 1288073367 /nfs/dbraw/zinc/07/33/67/1288073367.db2.gz QSFDEJJMDHVUGR-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001605801928 1288090027 /nfs/dbraw/zinc/09/00/27/1288090027.db2.gz MQUYPNGECPUGEN-KOLCDFICSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001605801928 1288090033 /nfs/dbraw/zinc/09/00/33/1288090033.db2.gz MQUYPNGECPUGEN-KOLCDFICSA-N -2 3 351.388 0.659 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001605918011 1288103696 /nfs/dbraw/zinc/10/36/96/1288103696.db2.gz BJXODZYQMHPKQO-MRXNPFEDSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1cccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001605918011 1288103699 /nfs/dbraw/zinc/10/36/99/1288103699.db2.gz BJXODZYQMHPKQO-MRXNPFEDSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1ncc(S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C)cc1-c1nnn[n-]1 ZINC001609456371 1289160843 /nfs/dbraw/zinc/16/08/43/1289160843.db2.gz NENIMPRIRZHQJH-NSHDSACASA-N -2 3 354.392 0.205 20 0 FCADHL Cc1ncc(S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C)cc1-c1nn[n-]n1 ZINC001609456371 1289160847 /nfs/dbraw/zinc/16/08/47/1289160847.db2.gz NENIMPRIRZHQJH-NSHDSACASA-N -2 3 354.392 0.205 20 0 FCADHL COC(=O)[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606329868 1288262481 /nfs/dbraw/zinc/26/24/81/1288262481.db2.gz GBWSJXVHPNRENX-SNVBAGLBSA-N -2 3 361.372 0.614 20 0 FCADHL COC(=O)[C@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])CC(C)C ZINC001606329946 1288262765 /nfs/dbraw/zinc/26/27/65/1288262765.db2.gz PVOXMMTVYMNMHV-QMMMGPOBSA-N -2 3 350.418 0.955 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001609478783 1289171756 /nfs/dbraw/zinc/17/17/56/1289171756.db2.gz SJLFEURQPLQOAQ-AATRIKPKSA-N -2 3 359.371 0.119 20 0 FCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001609478783 1289171758 /nfs/dbraw/zinc/17/17/58/1289171758.db2.gz SJLFEURQPLQOAQ-AATRIKPKSA-N -2 3 359.371 0.119 20 0 FCADHL O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1c([O-])cccc1F ZINC001606540110 1288373663 /nfs/dbraw/zinc/37/36/63/1288373663.db2.gz GTZBTUPSMNVJIN-UHFFFAOYSA-N -2 3 361.293 0.003 20 0 FCADHL O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1c([O-])cccc1F ZINC001606540110 1288373671 /nfs/dbraw/zinc/37/36/71/1288373671.db2.gz GTZBTUPSMNVJIN-UHFFFAOYSA-N -2 3 361.293 0.003 20 0 FCADHL O=C(CSC1CC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001606580295 1288394778 /nfs/dbraw/zinc/39/47/78/1288394778.db2.gz KKKBPUXIMDCIPO-UHFFFAOYSA-N -2 3 353.429 0.708 20 0 FCADHL O=C(CSC1CC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001606580295 1288394782 /nfs/dbraw/zinc/39/47/82/1288394782.db2.gz KKKBPUXIMDCIPO-UHFFFAOYSA-N -2 3 353.429 0.708 20 0 FCADHL O=C(Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cn1)NC1CC1 ZINC001606616382 1288410826 /nfs/dbraw/zinc/41/08/26/1288410826.db2.gz TYBCKHYBFUGCQZ-UHFFFAOYSA-N -2 3 368.357 0.300 20 0 FCADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)[O-])C1CC1 ZINC001606667845 1288430352 /nfs/dbraw/zinc/43/03/52/1288430352.db2.gz CPPGZUABSYSAFP-MNOVXSKESA-N -3 3 361.372 0.833 20 0 FCADHL O=C(NC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CC1)c1ccccc1[O-] ZINC001606701338 1288454004 /nfs/dbraw/zinc/45/40/04/1288454004.db2.gz FZTYKIVXTPXHPP-LBPRGKRZSA-N -2 3 366.385 0.405 20 0 FCADHL O=C(NCCc1n[n-]c(=S)o1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001606802380 1288523673 /nfs/dbraw/zinc/52/36/73/1288523673.db2.gz NYSKEAVMBUGWJL-UHFFFAOYSA-N -2 3 352.767 0.559 20 0 FCADHL O=C(NCCc1n[n-]c(=S)o1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001606802380 1288523679 /nfs/dbraw/zinc/52/36/79/1288523679.db2.gz NYSKEAVMBUGWJL-UHFFFAOYSA-N -2 3 352.767 0.559 20 0 FCADHL O=C([O-])C1(CNC(=O)NCc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001606837159 1288535496 /nfs/dbraw/zinc/53/54/96/1288535496.db2.gz PDPCXAPEQDHZBJ-UHFFFAOYSA-N -2 3 360.374 0.547 20 0 FCADHL O=C([O-])C1(CNC(=O)NCc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001606837159 1288535498 /nfs/dbraw/zinc/53/54/98/1288535498.db2.gz PDPCXAPEQDHZBJ-UHFFFAOYSA-N -2 3 360.374 0.547 20 0 FCADHL O=C([O-])COCC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001606957703 1288574453 /nfs/dbraw/zinc/57/44/53/1288574453.db2.gz IJYDYDKQODEXSQ-LLVKDONJSA-N -2 3 359.264 0.688 20 0 FCADHL O=C([O-])COCC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001606957703 1288574455 /nfs/dbraw/zinc/57/44/55/1288574455.db2.gz IJYDYDKQODEXSQ-LLVKDONJSA-N -2 3 359.264 0.688 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001606959550 1288575235 /nfs/dbraw/zinc/57/52/35/1288575235.db2.gz APCORNNPVQDMAV-SECBINFHSA-N -2 3 352.376 0.137 20 0 FCADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001606959550 1288575239 /nfs/dbraw/zinc/57/52/39/1288575239.db2.gz APCORNNPVQDMAV-SECBINFHSA-N -2 3 352.376 0.137 20 0 FCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606959241 1288575571 /nfs/dbraw/zinc/57/55/71/1288575571.db2.gz JUPVWAVZCCGXCV-LAEOZQHASA-N -2 3 369.428 0.802 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(c3cnccc3-c3nnn[n-]3)CC2)C1 ZINC001606960273 1288576439 /nfs/dbraw/zinc/57/64/39/1288576439.db2.gz PVVGQTGAIZOLSS-JTQLQIEISA-N -2 3 357.374 0.164 20 0 FCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(c3cnccc3-c3nn[n-]n3)CC2)C1 ZINC001606960273 1288576442 /nfs/dbraw/zinc/57/64/42/1288576442.db2.gz PVVGQTGAIZOLSS-JTQLQIEISA-N -2 3 357.374 0.164 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001606960377 1288576661 /nfs/dbraw/zinc/57/66/61/1288576661.db2.gz RFBYZVGJPLNKIP-LLVKDONJSA-N -2 3 357.374 0.164 20 0 FCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001606960377 1288576663 /nfs/dbraw/zinc/57/66/63/1288576663.db2.gz RFBYZVGJPLNKIP-LLVKDONJSA-N -2 3 357.374 0.164 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1(F)F ZINC001606961449 1288576852 /nfs/dbraw/zinc/57/68/52/1288576852.db2.gz RQAKQZMXZJKKGY-VIFPVBQESA-N -2 3 373.341 0.597 20 0 FCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1(F)F ZINC001606961449 1288576857 /nfs/dbraw/zinc/57/68/57/1288576857.db2.gz RQAKQZMXZJKKGY-VIFPVBQESA-N -2 3 373.341 0.597 20 0 FCADHL O=C([O-])c1coc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001606962697 1288578050 /nfs/dbraw/zinc/57/80/50/1288578050.db2.gz GXNCKHJHOMYIPQ-UHFFFAOYSA-N -2 3 367.318 0.776 20 0 FCADHL O=C([O-])c1coc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001606962697 1288578057 /nfs/dbraw/zinc/57/80/57/1288578057.db2.gz GXNCKHJHOMYIPQ-UHFFFAOYSA-N -2 3 367.318 0.776 20 0 FCADHL O=S(=O)([N-][C@@H]1CCC[C@H](CO)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001607059794 1288629929 /nfs/dbraw/zinc/62/99/29/1288629929.db2.gz MMFGXIIBRKHKQS-WCBMZHEXSA-N -2 3 373.385 0.974 20 0 FCADHL O=S(=O)([N-][C@@H](CCO)C(F)(F)F)c1ccc(F)cc1-c1nn[n-]n1 ZINC001607062537 1288634668 /nfs/dbraw/zinc/63/46/68/1288634668.db2.gz JOOWKXSHQPLVGN-VIFPVBQESA-N -2 3 369.300 0.597 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CN(C)Cc3ccccc32)c1C(=O)[O-] ZINC001607939356 1288749828 /nfs/dbraw/zinc/74/98/28/1288749828.db2.gz BYDGHLSRZOUDCR-LBPRGKRZSA-N -2 3 350.400 0.881 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccnn3C)C2)c1C(=O)[O-] ZINC001607939957 1288750174 /nfs/dbraw/zinc/75/01/74/1288750174.db2.gz IEEWFDZAHBQMKY-ONGXEEELSA-N -2 3 369.403 0.348 20 0 FCADHL O=C([O-])CC1(NC(=O)c2cccc3n[n-]nc32)CCS(=O)(=O)CC1 ZINC001608686002 1288865161 /nfs/dbraw/zinc/86/51/61/1288865161.db2.gz QITOFGBHOWXRAJ-UHFFFAOYSA-N -2 3 352.372 0.110 20 0 FCADHL O=C([O-])CCC[NH+]1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001608714028 1288868260 /nfs/dbraw/zinc/86/82/60/1288868260.db2.gz CAZGGVZGFZJRRX-UHFFFAOYSA-N -2 3 360.388 0.585 20 0 FCADHL O=C([O-])C(F)=C(Nc1cccc2cccnc21)c1c(=O)[n-]c(=S)[nH]c1[O-] ZINC001609044413 1288886457 /nfs/dbraw/zinc/88/64/57/1288886457.db2.gz VFACQLQRRIJLEX-JTQLQIEISA-N -3 3 374.353 0.854 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCOC1 ZINC001609142822 1288945080 /nfs/dbraw/zinc/94/50/80/1288945080.db2.gz NMBQZGKHEBGFLC-AWEZNQCLSA-N -2 3 351.388 0.239 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCOC1 ZINC001609142822 1288945083 /nfs/dbraw/zinc/94/50/83/1288945083.db2.gz NMBQZGKHEBGFLC-AWEZNQCLSA-N -2 3 351.388 0.239 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCCCO1 ZINC001609142944 1288945130 /nfs/dbraw/zinc/94/51/30/1288945130.db2.gz SUPJNLDYXWNZTB-HNNXBMFYSA-N -2 3 365.415 0.772 20 0 FCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCCCO1 ZINC001609142944 1288945133 /nfs/dbraw/zinc/94/51/33/1288945133.db2.gz SUPJNLDYXWNZTB-HNNXBMFYSA-N -2 3 365.415 0.772 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609142778 1288945619 /nfs/dbraw/zinc/94/56/19/1288945619.db2.gz LVTHNJKLRXVXLC-BXUZGUMPSA-N -2 3 351.388 0.788 20 0 FCADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609142778 1288945622 /nfs/dbraw/zinc/94/56/22/1288945622.db2.gz LVTHNJKLRXVXLC-BXUZGUMPSA-N -2 3 351.388 0.788 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC001609155934 1288954732 /nfs/dbraw/zinc/95/47/32/1288954732.db2.gz XQLYZNBHPUBPAK-NXEZZACHSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC001609155934 1288954736 /nfs/dbraw/zinc/95/47/36/1288954736.db2.gz XQLYZNBHPUBPAK-NXEZZACHSA-N -2 3 351.388 0.487 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C(=O)[O-] ZINC001609169434 1288963075 /nfs/dbraw/zinc/96/30/75/1288963075.db2.gz ZANWFKMMQVEGAW-GXFFZTMASA-N -2 3 365.415 0.739 20 0 FCADHL CCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001609221422 1288993714 /nfs/dbraw/zinc/99/37/14/1288993714.db2.gz ZVQKOQLDNKYWGB-UHFFFAOYSA-N -2 3 370.410 0.596 20 0 FCADHL CCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001609221422 1288993723 /nfs/dbraw/zinc/99/37/23/1288993723.db2.gz ZVQKOQLDNKYWGB-UHFFFAOYSA-N -2 3 370.410 0.596 20 0 FCADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCc1nc(=O)o[n-]1 ZINC001609522268 1289193367 /nfs/dbraw/zinc/19/33/67/1289193367.db2.gz TUQMLEXLQHTHAM-UHFFFAOYSA-N -2 3 359.346 0.409 20 0 FCADHL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCc1nc(=O)o[n-]1 ZINC001609522268 1289193369 /nfs/dbraw/zinc/19/33/69/1289193369.db2.gz TUQMLEXLQHTHAM-UHFFFAOYSA-N -2 3 359.346 0.409 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001609564820 1289228243 /nfs/dbraw/zinc/22/82/43/1289228243.db2.gz KYLSJZHSKYCMBM-APPZFPTMSA-N -2 3 362.321 0.314 20 0 FCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001609564820 1289228249 /nfs/dbraw/zinc/22/82/49/1289228249.db2.gz KYLSJZHSKYCMBM-APPZFPTMSA-N -2 3 362.321 0.314 20 0 FCADHL O=C([O-])c1ccc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nc1 ZINC001609573107 1289233787 /nfs/dbraw/zinc/23/37/87/1289233787.db2.gz VVKKYIARENQEEY-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])c1ccc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nc1 ZINC001609573107 1289233793 /nfs/dbraw/zinc/23/37/93/1289233793.db2.gz VVKKYIARENQEEY-UHFFFAOYSA-N -2 3 352.358 0.682 20 0 FCADHL O=C([O-])[C@@H](CC(F)(F)F)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609571835 1289234395 /nfs/dbraw/zinc/23/43/95/1289234395.db2.gz UHNRZCPKNNDHDW-MRVPVSSYSA-N -2 3 365.293 0.551 20 0 FCADHL O=C([O-])[C@H](CC(F)F)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001609571650 1289234934 /nfs/dbraw/zinc/23/49/34/1289234934.db2.gz PNMLIWIZTIUZNZ-ZETCQYMHSA-N -2 3 365.293 0.393 20 0 FCADHL O=C1COc2c([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)cccc2N1 ZINC001609589051 1289245435 /nfs/dbraw/zinc/24/54/35/1289245435.db2.gz BXJMGLQZHHDLEE-UHFFFAOYSA-N -2 3 372.366 0.998 20 0 FCADHL O=C1COc2c([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)cccc2N1 ZINC001609589051 1289245441 /nfs/dbraw/zinc/24/54/41/1289245441.db2.gz BXJMGLQZHHDLEE-UHFFFAOYSA-N -2 3 372.366 0.998 20 0 FCADHL O=C1COc2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc2N1 ZINC001609589367 1289245817 /nfs/dbraw/zinc/24/58/17/1289245817.db2.gz XASZYXZVUIXPAV-UHFFFAOYSA-N -2 3 372.366 0.998 20 0 FCADHL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCN(Cc2ccccc2)CC1 ZINC001609642458 1289271412 /nfs/dbraw/zinc/27/14/12/1289271412.db2.gz RZZCGVBHAVSCBW-GFCCVEGCSA-N -2 3 354.428 0.818 20 0 FCADHL CC[C@H](C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC001609904965 1289325923 /nfs/dbraw/zinc/32/59/23/1289325923.db2.gz OMJZDOSWASTBKG-KWQFWETISA-N -2 3 361.420 0.575 20 0 FCADHL CCS(=O)(=O)CCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001610049265 1289357470 /nfs/dbraw/zinc/35/74/70/1289357470.db2.gz NBBVOMONHYNUIH-UHFFFAOYSA-N -2 3 371.383 0.766 20 0 FCADHL Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001692178753 1289417213 /nfs/dbraw/zinc/41/72/13/1289417213.db2.gz KMIJGHGKWPMODP-PWSUYJOCSA-N -2 3 361.406 0.026 20 0 FCADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC001610249446 1289437731 /nfs/dbraw/zinc/43/77/31/1289437731.db2.gz DCJJRUQGGSXZFP-SCSAIBSYSA-N -3 3 372.149 0.118 20 0 FCADHL COc1cc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)ccc1C(=O)[O-] ZINC001610305633 1289456716 /nfs/dbraw/zinc/45/67/16/1289456716.db2.gz BIBPHFHYWLVMTE-UHFFFAOYSA-N -2 3 365.367 0.636 20 0 FCADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001610545877 1289505828 /nfs/dbraw/zinc/50/58/28/1289505828.db2.gz SWPHREHYVBWPPF-UHFFFAOYSA-N -2 3 355.397 0.997 20 0 FCADHL Cc1nc(C)c(CC(=O)O[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)c(=O)[n-]1 ZINC001610553666 1289507738 /nfs/dbraw/zinc/50/77/38/1289507738.db2.gz RIAQLNBJDHCRBP-JTQLQIEISA-N -2 3 365.386 0.596 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC001610871166 1289613733 /nfs/dbraw/zinc/61/37/33/1289613733.db2.gz CJTAPLQGWCJUKC-MFKMUULPSA-N -2 3 362.429 0.440 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1 ZINC001610871549 1289614607 /nfs/dbraw/zinc/61/46/07/1289614607.db2.gz OJHZCSWWVTYCMR-MRVPVSSYSA-N -2 3 356.381 0.960 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])c1ccccc1 ZINC001610873701 1289615361 /nfs/dbraw/zinc/61/53/61/1289615361.db2.gz ZCWAAOLBJRTPSU-VIFPVBQESA-N -3 3 356.381 0.988 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@@H]1O ZINC001610873245 1289615588 /nfs/dbraw/zinc/61/55/88/1289615588.db2.gz QYCWUBMEABADMS-UFBFGSQYSA-N -2 3 356.381 0.614 20 0 FCADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC001644225881 1290947677 /nfs/dbraw/zinc/94/76/77/1290947677.db2.gz CFNHTMKDOUOXAX-UHFFFAOYSA-N -2 3 365.415 0.922 20 0 FCADHL CC(=O)NCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000383482286 836052465 /nfs/dbraw/zinc/05/24/65/836052465.db2.gz OTEKJGIGJTYDGI-UHFFFAOYSA-N -2 3 369.193 0.545 20 0 FCADHL CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001116605331 846717306 /nfs/dbraw/zinc/71/73/06/846717306.db2.gz QUHOBPRWTWQONL-VIFPVBQESA-N -2 3 363.386 0.187 20 0 FCADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1nc(=O)o[n-]1 ZINC001117673493 847139978 /nfs/dbraw/zinc/13/99/78/847139978.db2.gz QRGDUMKUTAEYIR-UHFFFAOYSA-N -2 3 369.380 0.843 20 0 FCADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143676783 849497261 /nfs/dbraw/zinc/49/72/61/849497261.db2.gz OMTWOZDZKGJPLO-HUUCEWRRSA-N -2 3 356.359 0.696 20 0 FCADHL CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001149285358 849635661 /nfs/dbraw/zinc/63/56/61/849635661.db2.gz ZEOJTVNRCYOQSY-UHFFFAOYSA-N -2 3 351.384 0.784 20 0 FCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152713012 849722736 /nfs/dbraw/zinc/72/27/36/849722736.db2.gz DEZKIKMIKGJEGI-UHFFFAOYSA-N -2 3 353.356 0.927 20 0 FCADHL CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)NCCCCP(=O)([O-])[O-] ZINC001181862165 851137449 /nfs/dbraw/zinc/13/74/49/851137449.db2.gz KDYCMRAVWLVJFA-JTQLQIEISA-N -2 3 364.335 0.987 20 0 FCADHL COCCC1(C(=O)NCCCCP(=O)([O-])[O-])CCS(=O)(=O)CC1 ZINC001184560039 851314429 /nfs/dbraw/zinc/31/44/29/851314429.db2.gz QTWKZQRXLRXAQS-UHFFFAOYSA-N -2 3 371.392 0.292 20 0 FCADHL COCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568404 851363363 /nfs/dbraw/zinc/36/33/63/851363363.db2.gz UBIBHZSTQHTCLL-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568404 851363370 /nfs/dbraw/zinc/36/33/70/851363370.db2.gz UBIBHZSTQHTCLL-UHFFFAOYSA-N -2 3 363.403 0.819 20 0 FCADHL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567924 851364199 /nfs/dbraw/zinc/36/41/99/851364199.db2.gz KFCLYSJUCWFPPI-UHFFFAOYSA-N -2 3 363.359 0.188 20 0 FCADHL NC(=O)c1ncsc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185567879 851364229 /nfs/dbraw/zinc/36/42/29/851364229.db2.gz IFRYEOKVEXUPSO-UHFFFAOYSA-N -2 3 351.373 0.223 20 0 FCADHL NC(=O)c1ncsc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567879 851364239 /nfs/dbraw/zinc/36/42/39/851364239.db2.gz IFRYEOKVEXUPSO-UHFFFAOYSA-N -2 3 351.373 0.223 20 0 FCADHL CN(CC(=O)Nc1cnc(Cl)nc1Cl)C(N)=NP(=O)([O-])[O-] ZINC001185654871 851377363 /nfs/dbraw/zinc/37/73/63/851377363.db2.gz VITVLYMBVBMMAB-UHFFFAOYSA-N -2 3 357.094 0.271 20 0 FCADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001185928764 851400028 /nfs/dbraw/zinc/40/00/28/851400028.db2.gz MDPWMVQVCTZMDU-UHFFFAOYSA-N -3 3 351.317 0.929 20 0 FCADHL O=P([O-])([O-])OCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187980885 851633602 /nfs/dbraw/zinc/63/36/02/851633602.db2.gz QUGHZNLRKPESAA-UHFFFAOYSA-N -3 3 351.104 0.776 20 0 FCADHL O=P([O-])([O-])OCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188087173 851642657 /nfs/dbraw/zinc/64/26/57/851642657.db2.gz DWTYALVFUMDFSV-UHFFFAOYSA-N -3 3 351.104 0.776 20 0 FCADHL CNS(=O)(=O)c1ccc(C(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001188121639 851650722 /nfs/dbraw/zinc/65/07/22/851650722.db2.gz PEMRMRGSXOMOFJ-UHFFFAOYSA-N -2 3 350.333 0.282 20 0 FCADHL O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001192685906 852275152 /nfs/dbraw/zinc/27/51/52/852275152.db2.gz HJFPRRNNVLWDNG-UHFFFAOYSA-N -2 3 357.369 0.735 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(CO)CCOCC2)c(F)cc1F ZINC001195246396 852730693 /nfs/dbraw/zinc/73/06/93/852730693.db2.gz GMYMCIWUKCRWDH-UHFFFAOYSA-N -2 3 351.327 0.483 20 0 FCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC(=O)N2CCCC2)c(F)cc1F ZINC001195249548 852731866 /nfs/dbraw/zinc/73/18/66/852731866.db2.gz QFWWEHJYMPOSDS-UHFFFAOYSA-N -2 3 362.354 0.954 20 0 FCADHL N[C@@H](Cc1nnn[n-]1)C(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001218920922 855497033 /nfs/dbraw/zinc/49/70/33/855497033.db2.gz GJCFLCVQDWJYGU-LBPRGKRZSA-N -2 3 362.371 0.108 20 0 FCADHL N[C@@H](Cc1nn[n-]n1)C(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001218920922 855497035 /nfs/dbraw/zinc/49/70/35/855497035.db2.gz GJCFLCVQDWJYGU-LBPRGKRZSA-N -2 3 362.371 0.108 20 0 FCADHL CC(C)(C)OC(=O)[C@@H](O)CNC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001253701552 857906156 /nfs/dbraw/zinc/90/61/56/857906156.db2.gz PCDWRZPTAOJAKM-ZDUSSCGKSA-N -2 3 357.343 0.951 20 0 FCADHL CN1CCOC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259223665 858249678 /nfs/dbraw/zinc/24/96/78/858249678.db2.gz ILXRBISVIFZGDA-MRVPVSSYSA-N -2 3 366.798 0.786 20 0 FCADHL CN1CCO[C@]2(CCCN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C2)C1 ZINC001272191141 860110546 /nfs/dbraw/zinc/11/05/46/860110546.db2.gz LKGABCQJYVDVDR-MRXNPFEDSA-N -2 3 370.427 0.576 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cn2cc(Cl)cn2)C(=O)[O-])s1 ZINC001320567364 868202779 /nfs/dbraw/zinc/20/27/79/868202779.db2.gz FBIXIGDPZHMBJV-QMMMGPOBSA-N -2 3 350.809 0.733 20 0 FCADHL CCc1ncc(S(=O)(=O)[N-][C@H](Cn2cc(Cl)cn2)C(=O)[O-])s1 ZINC001321454664 868479530 /nfs/dbraw/zinc/47/95/30/868479530.db2.gz TZDBIOHAIPQMEC-MRVPVSSYSA-N -2 3 364.836 0.987 20 0 FCADHL Nc1cn[n-]c(=N[N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1Cl ZINC001345173087 871213693 /nfs/dbraw/zinc/21/36/93/871213693.db2.gz HCOLDDDTGSSBJJ-UHFFFAOYSA-N -2 3 353.742 0.479 20 0 FCADHL O=C([O-])CCCC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001328478204 871452903 /nfs/dbraw/zinc/45/29/03/871452903.db2.gz MVKPVSYAJXHSTA-UHFFFAOYSA-N -2 3 350.343 0.614 20 0 FCADHL O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC001602221758 971175509 /nfs/dbraw/zinc/17/55/09/971175509.db2.gz DRMAHICEBLLZCZ-LJGSYFOKSA-N -2 3 357.779 0.662 20 0 FCADHL O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC001602221758 971175512 /nfs/dbraw/zinc/17/55/12/971175512.db2.gz DRMAHICEBLLZCZ-LJGSYFOKSA-N -2 3 357.779 0.662 20 0 FCADHL CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1=O ZINC000325700057 971237069 /nfs/dbraw/zinc/23/70/69/971237069.db2.gz UTAKSRWNJULXFF-ZETCQYMHSA-N -2 3 362.310 0.089 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000826362201 948135178 /nfs/dbraw/zinc/13/51/78/948135178.db2.gz IEWYKGGHQNHUNT-UHFFFAOYSA-N -2 3 371.382 0.805 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000826362201 948135185 /nfs/dbraw/zinc/13/51/85/948135185.db2.gz IEWYKGGHQNHUNT-UHFFFAOYSA-N -2 3 371.382 0.805 20 0 FCADHL O=C([N-]CCOCCOC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000826463811 948357699 /nfs/dbraw/zinc/35/76/99/948357699.db2.gz VUZXUUBIGJQOPR-UHFFFAOYSA-N -2 3 374.279 0.114 20 0 FCADHL O=C([N-]CCOCCOC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000826463811 948357705 /nfs/dbraw/zinc/35/77/05/948357705.db2.gz VUZXUUBIGJQOPR-UHFFFAOYSA-N -2 3 374.279 0.114 20 0 FCADHL C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1[O-] ZINC001574683060 948838299 /nfs/dbraw/zinc/83/82/99/948838299.db2.gz SVYWAVRNDZVUKF-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574683060 948838313 /nfs/dbraw/zinc/83/83/13/948838313.db2.gz SVYWAVRNDZVUKF-SECBINFHSA-N -2 3 355.362 0.378 20 0 FCADHL CC(C)(C)[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1nc(=O)o[n-]1 ZINC001573822824 949807921 /nfs/dbraw/zinc/80/79/21/949807921.db2.gz NRFQVVXTFYRUSZ-LBPRGKRZSA-N -2 3 372.389 0.859 20 0 FCADHL O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)C2 ZINC001595280164 949970840 /nfs/dbraw/zinc/97/08/40/949970840.db2.gz QMKZWNVOCVUMLK-QPFGOUBPSA-N -2 3 364.304 0.980 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001571025051 951449282 /nfs/dbraw/zinc/44/92/82/951449282.db2.gz YXPZZMWIVRGMPI-NSHDSACASA-N 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ZINC001575068303 951634146 /nfs/dbraw/zinc/63/41/46/951634146.db2.gz ZSRCZELJBWBWEW-VIFPVBQESA-N -2 3 355.362 0.012 20 0 FCADHL O=C([N-]Cc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)o1)C(F)(F)F ZINC001571066888 952012928 /nfs/dbraw/zinc/01/29/28/952012928.db2.gz ZZWIATNEQPSWTJ-UHFFFAOYSA-N -2 3 370.251 0.614 20 0 FCADHL O=C([O-])Cn1cc(C(=O)NCc2ccc([O-])c(Br)c2)nn1 ZINC001595143445 952100661 /nfs/dbraw/zinc/10/06/61/952100661.db2.gz FUNCJSREERQWFH-UHFFFAOYSA-N -2 3 355.148 0.761 20 0 FCADHL O=C([O-])Cn1cnc([N-]C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)n1 ZINC001595160577 952192274 /nfs/dbraw/zinc/19/22/74/952192274.db2.gz QHFIUJYSKXZCCC-UHFFFAOYSA-N -3 3 361.236 0.387 20 0 FCADHL CCc1ncc(S(=O)(=O)[N-][C@@H]2CCCCN(CC(=O)[O-])C2=O)s1 ZINC001593653924 953729229 /nfs/dbraw/zinc/72/92/29/953729229.db2.gz HYFHTAKMBUMCQA-SECBINFHSA-N -2 3 361.445 0.450 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H]1CCC2(COC2)O1 ZINC001594896618 954568693 /nfs/dbraw/zinc/56/86/93/954568693.db2.gz QOERQKJSXLOIOB-MXWKQRLJSA-N -2 3 366.336 0.531 20 0 FCADHL CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001593780028 954635808 /nfs/dbraw/zinc/63/58/08/954635808.db2.gz HQSLYZKGWOZORI-AEJSXWLSSA-N -2 3 351.325 0.203 20 0 FCADHL CN1CCC[C@H]1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001593780033 954636129 /nfs/dbraw/zinc/63/61/29/954636129.db2.gz HQSLYZKGWOZORI-LPEHRKFASA-N -2 3 351.325 0.203 20 0 FCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593866923 955587197 /nfs/dbraw/zinc/58/71/97/955587197.db2.gz SXONTNRXHSMEGQ-NSHDSACASA-N -2 3 371.346 0.748 20 0 FCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccnn1C ZINC001593867257 955592616 /nfs/dbraw/zinc/59/26/16/955592616.db2.gz RGDZGVAKOJRUTK-LBPRGKRZSA-N -2 3 371.346 0.450 20 0 FCADHL C[C@H](C[N-]S(=O)(=O)c1cnn(C)c1I)C(=O)[O-] ZINC001589072098 955781487 /nfs/dbraw/zinc/78/14/87/955781487.db2.gz JKCURCJEGIOTAV-RXMQYKEDSA-N -2 3 373.172 0.024 20 0 FCADHL NC(=O)c1cc(S(=O)(=O)[N-]CC(=O)[O-])c(Br)cc1F ZINC001594649497 956460508 /nfs/dbraw/zinc/46/05/08/956460508.db2.gz IKMBNPMHZOAMRN-UHFFFAOYSA-N -2 3 355.141 0.050 20 0 FCADHL COC[C@@H](O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000230133392 960128524 /nfs/dbraw/zinc/12/85/24/960128524.db2.gz HZGOPWKSVVOWQO-LURJTMIESA-N -2 3 372.193 0.416 20 0 FCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)C3(C(=O)[O-])CCSCC3)C2)n1 ZINC001574306525 960741113 /nfs/dbraw/zinc/74/11/13/960741113.db2.gz MBTOHFCVENCNOW-LLVKDONJSA-N -2 3 366.443 0.784 20 0 FCADHL O=C([O-])c1cncc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC001574539559 961942623 /nfs/dbraw/zinc/94/26/23/961942623.db2.gz IRRLYPYIGSXOPA-UHFFFAOYSA-N -2 3 369.131 0.443 20 0 FCADHL CCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320057420 970607557 /nfs/dbraw/zinc/60/75/57/970607557.db2.gz MCPNDMLGCFKMDE-SSDOTTSWSA-N -2 3 350.343 0.856 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([O-])cn1 ZINC001605971313 972982244 /nfs/dbraw/zinc/98/22/44/972982244.db2.gz WZMUHUQBKHTPRY-SCZZXKLOSA-N -3 3 361.276 0.524 20 0 FCADHL CO[C@@](C)(CO)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000702468090 977085973 /nfs/dbraw/zinc/08/59/73/977085973.db2.gz ZMBNDUSMXKKCMD-SNVBAGLBSA-N -2 3 372.193 0.416 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1n[nH]cc1Br ZINC000718120938 977953308 /nfs/dbraw/zinc/95/33/08/977953308.db2.gz YBGQKONNJVQPDZ-UHFFFAOYSA-N -2 3 350.154 0.072 20 0 FCADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)S(C)(=O)=O ZINC001592715980 979214008 /nfs/dbraw/zinc/21/40/08/979214008.db2.gz MGRRZQAAYWYXNU-ZCFIWIBFSA-N -2 3 373.811 0.889 20 0 FCADHL C[C@@](CO)([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC001592755409 979330452 /nfs/dbraw/zinc/33/04/52/979330452.db2.gz HBZJIPCDRVSNFP-JTQLQIEISA-N -2 3 356.169 0.702 20 0 FCADHL CCOC(=O)[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001596527177 984340336 /nfs/dbraw/zinc/34/03/36/984340336.db2.gz FYWJTVVMMOBBOM-VXGBXAGGSA-N -2 3 363.432 0.662 20 0 FCADHL 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374.390 0.903 20 0 FCADHL CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H]3C=C[C@@H](C(=O)[O-])C3)cc2C1 ZINC000656511841 492627554 /nfs/dbraw/zinc/62/75/54/492627554.db2.gz DMUYOIZHFNKVFP-PWSUYJOCSA-N -2 3 370.452 0.960 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCO2)[C@H]1CCOC1 ZINC000656616484 492637511 /nfs/dbraw/zinc/63/75/11/492637511.db2.gz WPELDLUEKABMIY-LKFCYVNXSA-N -2 3 373.383 0.907 20 0 FCADHL COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000650402925 492638666 /nfs/dbraw/zinc/63/86/66/492638666.db2.gz WNVXLRPLAIPHRP-NSHDSACASA-N -2 3 357.363 0.542 20 0 FCADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)c1 ZINC000650699781 492662773 /nfs/dbraw/zinc/66/27/73/492662773.db2.gz MFYBDTTWUVINHC-UHFFFAOYSA-N -2 3 355.397 0.788 20 0 FCADHL Cc1nc(C[N-]S(=O)(=O)c2cnn3c2OCCC3)sc1C(=O)[O-] ZINC000646037561 493006070 /nfs/dbraw/zinc/00/60/70/493006070.db2.gz QNBJRSQQYAEKLH-UHFFFAOYSA-N -2 3 358.401 0.607 20 0 FCADHL CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000659052623 493129343 /nfs/dbraw/zinc/12/93/43/493129343.db2.gz FDMQCESPHWDZIC-UHFFFAOYSA-N -2 3 364.333 0.802 20 0 FCADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](Cc2cnc[nH]2)C(=O)[O-])c(F)c1 ZINC000681555865 493184940 /nfs/dbraw/zinc/18/49/40/493184940.db2.gz LMYADTIADMTCHE-LLVKDONJSA-N -2 3 361.326 0.671 20 0 FCADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])c[nH]1 ZINC000681580831 493190635 /nfs/dbraw/zinc/19/06/35/493190635.db2.gz SEQQLCYHEQKWJP-NSHDSACASA-N -2 3 355.420 0.488 20 0 FCADHL Cc1cnc(C(=O)NC[C@@H](CO)NC(=O)c2ncc(C)cc2[O-])c([O-])c1 ZINC000681745789 493213580 /nfs/dbraw/zinc/21/35/80/493213580.db2.gz QLNWTUMBTVCNCB-NSHDSACASA-N -2 3 360.370 0.025 20 0 FCADHL Cc1cc(C(=O)N2CCN(CCO)C(C)(C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000682011764 493262264 /nfs/dbraw/zinc/26/22/64/493262264.db2.gz XZCWAWZCNUDKBF-UHFFFAOYSA-N -2 3 361.402 0.273 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659785953 493290744 /nfs/dbraw/zinc/29/07/44/493290744.db2.gz PPMJXMJEOWFHRE-JTQLQIEISA-N -2 3 358.391 0.864 20 0 FCADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cn(CC2CC2)c(CC)n1)C(=O)[O-] ZINC000663285597 493581699 /nfs/dbraw/zinc/58/16/99/493581699.db2.gz JEYYRKYTEVIIQJ-LBPRGKRZSA-N -2 3 357.432 0.956 20 0 FCADHL O=C([O-])Cn1cc(S(=O)(=O)[N-]Cc2cnccc2C(F)(F)F)cn1 ZINC000663437185 493589527 /nfs/dbraw/zinc/58/95/27/493589527.db2.gz KGZSNUGBRROMTO-UHFFFAOYSA-N -2 3 364.305 0.860 20 0 FCADHL Cc1cc(C(=O)N2CCN(C(C)(C)CO)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000679314492 493674710 /nfs/dbraw/zinc/67/47/10/493674710.db2.gz CYAUXEOHFQEOGV-UHFFFAOYSA-N -2 3 361.402 0.273 20 0 FCADHL Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3nnn[n-]3)cs2)c1 ZINC000680636820 493728165 /nfs/dbraw/zinc/72/81/65/493728165.db2.gz UHTZUOXMEBVWBP-UHFFFAOYSA-N -2 3 373.398 0.781 20 0 FCADHL Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3nn[n-]n3)cs2)c1 ZINC000680636820 493728166 /nfs/dbraw/zinc/72/81/66/493728166.db2.gz UHTZUOXMEBVWBP-UHFFFAOYSA-N -2 3 373.398 0.781 20 0 FCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000263239012 534213275 /nfs/dbraw/zinc/21/32/75/534213275.db2.gz RJLIJSQLALHUSK-SFYZADRCSA-N -2 3 374.191 0.423 20 0 FCADHL COC(=O)c1cccc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)c1[O-] ZINC000594695098 546816155 /nfs/dbraw/zinc/81/61/55/546816155.db2.gz QFZLBBZOXLFZPA-ZWNOBZJWSA-N -2 3 359.400 0.972 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2nncn2c1 ZINC000738139721 598856382 /nfs/dbraw/zinc/85/63/82/598856382.db2.gz ODJZSYBSROVHFK-UHFFFAOYSA-N -2 3 370.354 0.028 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2nncn2c1 ZINC000738139721 598856384 /nfs/dbraw/zinc/85/63/84/598856384.db2.gz ODJZSYBSROVHFK-UHFFFAOYSA-N -2 3 370.354 0.028 20 0 FCADHL CCC(CC)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736348373 598858198 /nfs/dbraw/zinc/85/81/98/598858198.db2.gz AHQFWROWVFIBSS-UHFFFAOYSA-N -2 3 353.404 0.880 20 0 FCADHL CCC(CC)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736348373 598858199 /nfs/dbraw/zinc/85/81/99/598858199.db2.gz AHQFWROWVFIBSS-UHFFFAOYSA-N -2 3 353.404 0.880 20 0 FCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000737765739 598909476 /nfs/dbraw/zinc/90/94/76/598909476.db2.gz WVIHYUCBVCOPSA-UHFFFAOYSA-N -2 3 369.363 0.362 20 0 FCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000737765739 598909477 /nfs/dbraw/zinc/90/94/77/598909477.db2.gz WVIHYUCBVCOPSA-UHFFFAOYSA-N -2 3 369.363 0.362 20 0 FCADHL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737178940 598975593 /nfs/dbraw/zinc/97/55/93/598975593.db2.gz GGWWUCJKFLJKQJ-SECBINFHSA-N -2 3 355.445 0.979 20 0 FCADHL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737178940 598975595 /nfs/dbraw/zinc/97/55/95/598975595.db2.gz GGWWUCJKFLJKQJ-SECBINFHSA-N -2 3 355.445 0.979 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1cnn(C)c1 ZINC000737299544 598976199 /nfs/dbraw/zinc/97/61/99/598976199.db2.gz RPLUWXWUBRMLKT-GQCTYLIASA-N -2 3 373.398 0.427 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1cnn(C)c1 ZINC000737299544 598976200 /nfs/dbraw/zinc/97/62/00/598976200.db2.gz RPLUWXWUBRMLKT-GQCTYLIASA-N -2 3 373.398 0.427 20 0 FCADHL COCCCn1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000736989019 599166860 /nfs/dbraw/zinc/16/68/60/599166860.db2.gz PMFQGZBNNDSGJV-UHFFFAOYSA-N -2 3 363.403 0.901 20 0 FCADHL COCCCn1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000736989019 599166862 /nfs/dbraw/zinc/16/68/62/599166862.db2.gz PMFQGZBNNDSGJV-UHFFFAOYSA-N -2 3 363.403 0.901 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cnn2ccccc12 ZINC000738138614 599220276 /nfs/dbraw/zinc/22/02/76/599220276.db2.gz GXOHLAWXIHKAEW-UHFFFAOYSA-N -2 3 369.366 0.633 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cnn2ccccc12 ZINC000738138614 599220278 /nfs/dbraw/zinc/22/02/78/599220278.db2.gz GXOHLAWXIHKAEW-UHFFFAOYSA-N -2 3 369.366 0.633 20 0 FCADHL Cn1c2ccc(S(=O)(=O)[N-]c3ccc(-c4nnn[n-]4)cn3)cc2oc1=O ZINC000822596621 599231222 /nfs/dbraw/zinc/23/12/22/599231222.db2.gz NQBCLJOCVGNBLE-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL Cn1c2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)cc2oc1=O ZINC000822596621 599231225 /nfs/dbraw/zinc/23/12/25/599231225.db2.gz NQBCLJOCVGNBLE-UHFFFAOYSA-N -2 3 373.354 0.507 20 0 FCADHL C[C@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000737706963 597500647 /nfs/dbraw/zinc/50/06/47/597500647.db2.gz OXVDEBKOYCSPMG-YFKPBYRVSA-N -2 3 372.218 0.805 20 0 FCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737761192 598366985 /nfs/dbraw/zinc/36/69/85/598366985.db2.gz QZAXPKGFEFGXON-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL Cc1nn2c([n-]nc2SCCOc2ccc(-c3nn[n-]n3)cc2)nc1=O ZINC000737521471 598379093 /nfs/dbraw/zinc/37/90/93/598379093.db2.gz JBZXHACBPYWOHA-UHFFFAOYSA-N -2 3 371.386 0.472 20 0 FCADHL Cc1ccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737369163 598492792 /nfs/dbraw/zinc/49/27/92/598492792.db2.gz GOQTYSTXNPDUAL-VWLOTQADSA-N -2 3 356.411 0.994 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cc1C(N)=O ZINC000737609512 598594085 /nfs/dbraw/zinc/59/40/85/598594085.db2.gz IUJOKZIKWJLTEO-UHFFFAOYSA-N -2 3 365.350 0.244 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cc1C(N)=O ZINC000737609512 598594086 /nfs/dbraw/zinc/59/40/86/598594086.db2.gz IUJOKZIKWJLTEO-UHFFFAOYSA-N -2 3 365.350 0.244 20 0 FCADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(-n2cnnn2)cc1 ZINC000738346262 598638600 /nfs/dbraw/zinc/63/86/00/598638600.db2.gz WVGHDJWJWHFYMT-UHFFFAOYSA-N -2 3 370.358 0.038 20 0 FCADHL CC(C)CCS(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735820886 598739646 /nfs/dbraw/zinc/73/96/46/598739646.db2.gz YZQWBFGWKBMSIU-UHFFFAOYSA-N -2 3 353.404 0.738 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736624663 598739937 /nfs/dbraw/zinc/73/99/37/598739937.db2.gz CJZXSCYAIWYBAM-BQYQJAHWSA-N -2 3 351.388 0.362 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736624663 598739939 /nfs/dbraw/zinc/73/99/39/598739939.db2.gz CJZXSCYAIWYBAM-BQYQJAHWSA-N -2 3 351.388 0.362 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1C(N)=O ZINC000737281747 598749990 /nfs/dbraw/zinc/74/99/90/598749990.db2.gz XVFQJFLJEUDQCZ-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1C(N)=O ZINC000737281747 598749991 /nfs/dbraw/zinc/74/99/91/598749991.db2.gz XVFQJFLJEUDQCZ-UHFFFAOYSA-N -2 3 359.371 0.470 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ncccn2)c1)c1ccccc1-c1nnn[n-]1 ZINC000738340541 599563723 /nfs/dbraw/zinc/56/37/23/599563723.db2.gz XWKAQRYFLKMZCZ-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL O=S(=O)([N-]c1cnn(-c2ncccn2)c1)c1ccccc1-c1nn[n-]n1 ZINC000738340541 599563724 /nfs/dbraw/zinc/56/37/24/599563724.db2.gz XWKAQRYFLKMZCZ-UHFFFAOYSA-N -2 3 369.370 0.643 20 0 FCADHL CCN(C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821164922 599626245 /nfs/dbraw/zinc/62/62/45/599626245.db2.gz MIJPFZJCUZIRMQ-UHFFFAOYSA-N -2 3 370.460 0.413 20 0 FCADHL CCN(C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821164922 599626246 /nfs/dbraw/zinc/62/62/46/599626246.db2.gz MIJPFZJCUZIRMQ-UHFFFAOYSA-N -2 3 370.460 0.413 20 0 FCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)CC(F)(F)F ZINC000823044580 599626551 /nfs/dbraw/zinc/62/65/51/599626551.db2.gz VZSILZNNUSGEHI-UHFFFAOYSA-N -2 3 365.293 0.254 20 0 FCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)CC(F)(F)F ZINC000823044580 599626552 /nfs/dbraw/zinc/62/65/52/599626552.db2.gz VZSILZNNUSGEHI-UHFFFAOYSA-N -2 3 365.293 0.254 20 0 FCADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)NCc1ccccc1 ZINC000736671624 599773344 /nfs/dbraw/zinc/77/33/44/599773344.db2.gz XIERQJOEYIJDFN-SNVBAGLBSA-N -2 3 352.368 0.961 20 0 FCADHL O=C([O-])CCS(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000739742969 599867779 /nfs/dbraw/zinc/86/77/79/599867779.db2.gz PPSZIRFKLSGGOL-UHFFFAOYSA-N -2 3 362.429 0.688 20 0 FCADHL C[C@H](CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CC1)C(=O)[O-] ZINC000736561257 599931330 /nfs/dbraw/zinc/93/13/30/599931330.db2.gz ALYLGSOLGFNACU-SSDOTTSWSA-N -2 3 374.191 0.423 20 0 FCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1F ZINC000736478396 599942114 /nfs/dbraw/zinc/94/21/14/599942114.db2.gz ZSOJQASUKRBRFM-GFCCVEGCSA-N -2 3 374.390 0.438 20 0 FCADHL COC(=O)c1sc2[n-]c(CN3CCO[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000737722699 599978472 /nfs/dbraw/zinc/97/84/72/599978472.db2.gz BGCWBDBYGJCSEA-QMMMGPOBSA-N -2 3 367.383 0.365 20 0 FCADHL CC(C)Oc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1-c1nnn[n-]1 ZINC000820170278 607428025 /nfs/dbraw/zinc/42/80/25/607428025.db2.gz WUTDGJRDSYXFLI-UHFFFAOYSA-N -2 3 359.350 0.799 20 0 FCADHL CC(C)Oc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1-c1nn[n-]n1 ZINC000820170278 607428026 /nfs/dbraw/zinc/42/80/26/607428026.db2.gz WUTDGJRDSYXFLI-UHFFFAOYSA-N -2 3 359.350 0.799 20 0 FCADHL CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CC2 ZINC000736523603 600448670 /nfs/dbraw/zinc/44/86/70/600448670.db2.gz CKAKNOVXYQUUOH-VIFPVBQESA-N -2 3 354.388 0.986 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNC(=O)c2c(F)cccc2F)o1 ZINC000740176912 600544206 /nfs/dbraw/zinc/54/42/06/600544206.db2.gz ZKBCVRPXENSLJH-UHFFFAOYSA-N -2 3 374.321 0.964 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC[C@H](C)C(=O)[O-])CCCC1 ZINC000262560551 600921909 /nfs/dbraw/zinc/92/19/09/600921909.db2.gz YEWRUEAMBXGULE-VIFPVBQESA-N -2 3 373.431 0.719 20 0 FCADHL CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1=O ZINC000826956391 601129332 /nfs/dbraw/zinc/12/93/32/601129332.db2.gz NICVDDPDLARXDN-GFCCVEGCSA-N -2 3 354.384 0.340 20 0 FCADHL CS(=O)(=O)CCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000314737884 601232454 /nfs/dbraw/zinc/23/24/54/601232454.db2.gz RJPNBAXJWFHKJO-UHFFFAOYSA-N -2 3 357.356 0.376 20 0 FCADHL COC(=O)CSCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831185186 601235170 /nfs/dbraw/zinc/23/51/70/601235170.db2.gz PPLXUMGCHUZHDP-UHFFFAOYSA-N -2 3 369.367 0.848 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCN2CCOC2=O)c1F ZINC000833294444 601235270 /nfs/dbraw/zinc/23/52/70/601235270.db2.gz SVQDQJWPIIBTDQ-UHFFFAOYSA-N -2 3 364.326 0.784 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2noc(CCC(=O)[O-])n2)c(C)o1 ZINC000831034354 601358075 /nfs/dbraw/zinc/35/80/75/601358075.db2.gz XMVPRNYJCDWWFW-UHFFFAOYSA-N -2 3 373.343 0.253 20 0 FCADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)ccc1F ZINC000831028906 601692569 /nfs/dbraw/zinc/69/25/69/601692569.db2.gz CLXWEWKNBAGVNJ-UHFFFAOYSA-N -2 3 374.390 0.440 20 0 FCADHL COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])C1=O ZINC000832622970 601812175 /nfs/dbraw/zinc/81/21/75/601812175.db2.gz KJPSQHMEQICDDS-WDEREUQCSA-N -2 3 356.400 0.441 20 0 FCADHL COCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)CC2 ZINC000831831343 601994796 /nfs/dbraw/zinc/99/47/96/601994796.db2.gz IQVLXZMBPBMOBS-VIFPVBQESA-N -2 3 370.387 0.317 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCSC2)c1 ZINC000833715954 604704261 /nfs/dbraw/zinc/70/42/61/604704261.db2.gz JOHIFZPKDSGEST-ZDUSSCGKSA-N -2 3 363.388 0.851 20 0 FCADHL C[C@@H]1[C@@H](C)N(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CCN1C ZINC000833590008 604838744 /nfs/dbraw/zinc/83/87/44/604838744.db2.gz YFHBWPFHHVCKDP-CHWSQXEVSA-N -2 3 372.425 0.957 20 0 FCADHL O=C([O-])N1CC(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000740400796 604948090 /nfs/dbraw/zinc/94/80/90/604948090.db2.gz PHBUHPZBQDXGFA-UHFFFAOYSA-N -2 3 357.363 0.358 20 0 FCADHL CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000833432378 605028278 /nfs/dbraw/zinc/02/82/78/605028278.db2.gz IMASHZMQAFYTBK-UHFFFAOYSA-N -2 3 363.417 0.739 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450432 607776836 /nfs/dbraw/zinc/77/68/36/607776836.db2.gz MBNQPVGHUAGQRA-UHFFFAOYSA-N -2 3 358.383 0.802 20 0 FCADHL C[C@@H](CS(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000833519189 605212551 /nfs/dbraw/zinc/21/25/51/605212551.db2.gz NODQYARGWCVKFE-NSHDSACASA-N -2 3 356.400 0.201 20 0 FCADHL CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000821630029 606180854 /nfs/dbraw/zinc/18/08/54/606180854.db2.gz JNZCIZYAPPJMRD-UHFFFAOYSA-N -2 3 373.398 0.891 20 0 FCADHL CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000821630029 606180855 /nfs/dbraw/zinc/18/08/55/606180855.db2.gz JNZCIZYAPPJMRD-UHFFFAOYSA-N -2 3 373.398 0.891 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC[C@@H]1CCOC1 ZINC000822222567 606409348 /nfs/dbraw/zinc/40/93/48/606409348.db2.gz MJQZVFYCLYHQCD-LLVKDONJSA-N -2 3 365.415 0.797 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC[C@@H]1CCOC1 ZINC000822222567 606409350 /nfs/dbraw/zinc/40/93/50/606409350.db2.gz MJQZVFYCLYHQCD-LLVKDONJSA-N -2 3 365.415 0.797 20 0 FCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821903869 606410614 /nfs/dbraw/zinc/41/06/14/606410614.db2.gz NAKNADBYLUAZPN-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821903869 606410617 /nfs/dbraw/zinc/41/06/17/606410617.db2.gz NAKNADBYLUAZPN-UHFFFAOYSA-N -2 3 362.371 0.333 20 0 FCADHL CN(CC1CC1)S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000821596422 606707411 /nfs/dbraw/zinc/70/74/11/606707411.db2.gz JMDYAPZRZOAFSH-UHFFFAOYSA-N -2 3 354.440 0.817 20 0 FCADHL CN(CC1CC1)S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000821596422 606707413 /nfs/dbraw/zinc/70/74/13/606707413.db2.gz JMDYAPZRZOAFSH-UHFFFAOYSA-N -2 3 354.440 0.817 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)n1 ZINC000822623380 606709859 /nfs/dbraw/zinc/70/98/59/606709859.db2.gz UTJSTCPXRIBRCO-UHFFFAOYSA-N -2 3 362.331 0.248 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)n1 ZINC000822623406 606711183 /nfs/dbraw/zinc/71/11/83/606711183.db2.gz VVXAUUMHLMFYFN-UHFFFAOYSA-N -2 3 359.293 0.818 20 0 FCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)n1 ZINC000822623457 606711956 /nfs/dbraw/zinc/71/19/56/606711956.db2.gz XVEOKEZMEDXDMP-UHFFFAOYSA-N -2 3 372.370 0.243 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822940726 606746519 /nfs/dbraw/zinc/74/65/19/606746519.db2.gz BXDAZNDVSFOKJS-GFCCVEGCSA-N -2 3 365.415 0.772 20 0 FCADHL O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822940726 606746520 /nfs/dbraw/zinc/74/65/20/606746520.db2.gz BXDAZNDVSFOKJS-GFCCVEGCSA-N -2 3 365.415 0.772 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCSC1 ZINC000823284375 606800549 /nfs/dbraw/zinc/80/05/49/606800549.db2.gz FNOBOANKCQWNON-LLVKDONJSA-N -2 3 353.429 0.566 20 0 FCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000823284375 606800552 /nfs/dbraw/zinc/80/05/52/606800552.db2.gz FNOBOANKCQWNON-LLVKDONJSA-N -2 3 353.429 0.566 20 0 FCADHL Cc1nc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cn1C ZINC000822453871 606820730 /nfs/dbraw/zinc/82/07/30/606820730.db2.gz PFWSIGASSKUTAJ-UHFFFAOYSA-N -2 3 362.419 0.775 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)O1 ZINC000820973560 606839072 /nfs/dbraw/zinc/83/90/72/606839072.db2.gz YCDIWQFHDCEDEM-NWDGAFQWSA-N -2 3 365.415 0.938 20 0 FCADHL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)O1 ZINC000820973560 606839074 /nfs/dbraw/zinc/83/90/74/606839074.db2.gz YCDIWQFHDCEDEM-NWDGAFQWSA-N -2 3 365.415 0.938 20 0 FCADHL C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cncc([O-])c1 ZINC000820788327 606854959 /nfs/dbraw/zinc/85/49/59/606854959.db2.gz DNPSGTIATIHZPB-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL CSc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821989247 606861563 /nfs/dbraw/zinc/86/15/63/606861563.db2.gz JBGHOBMJDBLPKQ-UHFFFAOYSA-N -2 3 356.368 0.647 20 0 FCADHL CSc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821989247 606861566 /nfs/dbraw/zinc/86/15/66/606861566.db2.gz JBGHOBMJDBLPKQ-UHFFFAOYSA-N -2 3 356.368 0.647 20 0 FCADHL C[S@@](=O)CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821941684 606892102 /nfs/dbraw/zinc/89/21/02/606892102.db2.gz IEGCZLLYQOPHGA-JOCHJYFZSA-N -2 3 365.387 0.192 20 0 FCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CCOC1 ZINC000820438509 606893862 /nfs/dbraw/zinc/89/38/62/606893862.db2.gz QXGCKVBITDCUJE-YUMQZZPRSA-N -2 3 359.358 0.848 20 0 FCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000821644867 606894061 /nfs/dbraw/zinc/89/40/61/606894061.db2.gz LJSSBIKEDGLWHN-JTQLQIEISA-N -2 3 373.341 0.375 20 0 FCADHL CN1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1=O ZINC000821623961 606894491 /nfs/dbraw/zinc/89/44/91/606894491.db2.gz WHZZFTPNXGBBLR-JTQLQIEISA-N -2 3 372.357 0.044 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC000820674287 606920466 /nfs/dbraw/zinc/92/04/66/606920466.db2.gz CKCWUABMDHXHLW-JOYOIKCWSA-N -2 3 351.388 0.380 20 0 FCADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC000820674287 606920467 /nfs/dbraw/zinc/92/04/67/606920467.db2.gz CKCWUABMDHXHLW-JOYOIKCWSA-N -2 3 351.388 0.380 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CC(=O)[O-])CC(C)C ZINC000821700541 607102964 /nfs/dbraw/zinc/10/29/64/607102964.db2.gz RJGYBWASNSYWOE-UHFFFAOYSA-N -2 3 363.374 0.823 20 0 FCADHL O=C([O-])CC1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000823387386 607107291 /nfs/dbraw/zinc/10/72/91/607107291.db2.gz JEWBPVGWWQBZAI-UHFFFAOYSA-N -2 3 361.358 0.386 20 0 FCADHL NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822890134 607118122 /nfs/dbraw/zinc/11/81/22/607118122.db2.gz MNTMCABLQCITRM-UHFFFAOYSA-N -2 3 350.385 0.828 20 0 FCADHL NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822890134 607118123 /nfs/dbraw/zinc/11/81/23/607118123.db2.gz MNTMCABLQCITRM-UHFFFAOYSA-N -2 3 350.385 0.828 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825073715 607776360 /nfs/dbraw/zinc/77/63/60/607776360.db2.gz AXKKLRSBIMCELY-SNVBAGLBSA-N -2 3 353.404 0.628 20 0 FCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825073715 607776359 /nfs/dbraw/zinc/77/63/59/607776359.db2.gz AXKKLRSBIMCELY-SNVBAGLBSA-N -2 3 353.404 0.628 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450432 607776835 /nfs/dbraw/zinc/77/68/35/607776835.db2.gz MBNQPVGHUAGQRA-UHFFFAOYSA-N -2 3 358.383 0.802 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450535 607778226 /nfs/dbraw/zinc/77/82/26/607778226.db2.gz QIYAPJXIRQFOMG-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450535 607778227 /nfs/dbraw/zinc/77/82/27/607778227.db2.gz QIYAPJXIRQFOMG-UHFFFAOYSA-N -2 3 353.751 0.362 20 0 FCADHL O=S(=O)([N-]C[C@H]1CCC[C@@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490481 607937848 /nfs/dbraw/zinc/93/78/48/607937848.db2.gz XBRYBHYYGOVCGB-HQJQHLMTSA-N -2 3 359.358 0.584 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC000826255787 608010473 /nfs/dbraw/zinc/01/04/73/608010473.db2.gz KNYPGVCUCPHSON-UHFFFAOYSA-N -2 3 351.388 0.851 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC000826255787 608010474 /nfs/dbraw/zinc/01/04/74/608010474.db2.gz KNYPGVCUCPHSON-UHFFFAOYSA-N -2 3 351.388 0.851 20 0 FCADHL C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000824641166 608010521 /nfs/dbraw/zinc/01/05/21/608010521.db2.gz SNADKWAXRIAJBO-RXMQYKEDSA-N -2 3 365.293 0.637 20 0 FCADHL CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000824235542 608011179 /nfs/dbraw/zinc/01/11/79/608011179.db2.gz IIVRSFPKRQHPEB-JTQLQIEISA-N -2 3 357.367 0.783 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC000735736238 608011326 /nfs/dbraw/zinc/01/13/26/608011326.db2.gz XBJIDGWNGHGWRD-SNVBAGLBSA-N -2 3 359.795 0.908 20 0 FCADHL CC(C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC000735736238 608011327 /nfs/dbraw/zinc/01/13/27/608011327.db2.gz XBJIDGWNGHGWRD-SNVBAGLBSA-N -2 3 359.795 0.908 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826461116 608011529 /nfs/dbraw/zinc/01/15/29/608011529.db2.gz GSSWLRFOBSWYRB-ZETCQYMHSA-N -2 3 357.779 0.615 20 0 FCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826461116 608011530 /nfs/dbraw/zinc/01/15/30/608011530.db2.gz GSSWLRFOBSWYRB-ZETCQYMHSA-N -2 3 357.779 0.615 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826461021 608011776 /nfs/dbraw/zinc/01/17/76/608011776.db2.gz BZVABYMJNUZVCD-SNVBAGLBSA-N -2 3 357.779 0.758 20 0 FCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000826256066 608011752 /nfs/dbraw/zinc/01/17/52/608011752.db2.gz TUYGSEKBHIIKOM-LLVKDONJSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000826256066 608011753 /nfs/dbraw/zinc/01/17/53/608011753.db2.gz TUYGSEKBHIIKOM-LLVKDONJSA-N -2 3 353.404 0.953 20 0 FCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826461021 608011777 /nfs/dbraw/zinc/01/17/77/608011777.db2.gz BZVABYMJNUZVCD-SNVBAGLBSA-N -2 3 357.779 0.758 20 0 FCADHL C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824450098 608125009 /nfs/dbraw/zinc/12/50/09/608125009.db2.gz RVIGFJULTRPATI-OKGXIFKESA-N -2 3 365.387 0.190 20 0 FCADHL CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390697 608220114 /nfs/dbraw/zinc/22/01/14/608220114.db2.gz KPSKTXWZKJMCOT-QMMMGPOBSA-N -2 3 356.346 0.686 20 0 FCADHL CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390697 608220116 /nfs/dbraw/zinc/22/01/16/608220116.db2.gz KPSKTXWZKJMCOT-QMMMGPOBSA-N -2 3 356.346 0.686 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000824377605 608455320 /nfs/dbraw/zinc/45/53/20/608455320.db2.gz IITDFNVGFWCYFY-UHFFFAOYSA-N -2 3 367.416 0.824 20 0 FCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000824377605 608455322 /nfs/dbraw/zinc/45/53/22/608455322.db2.gz IITDFNVGFWCYFY-UHFFFAOYSA-N -2 3 367.416 0.824 20 0 FCADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825068054 608473040 /nfs/dbraw/zinc/47/30/40/608473040.db2.gz OXBBQZJREWSPTH-JTQLQIEISA-N -2 3 353.404 0.882 20 0 FCADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825068054 608473041 /nfs/dbraw/zinc/47/30/41/608473041.db2.gz OXBBQZJREWSPTH-JTQLQIEISA-N -2 3 353.404 0.882 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826222510 608820806 /nfs/dbraw/zinc/82/08/06/608820806.db2.gz ZHKZEZSLZRESOK-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL COc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826222510 608820809 /nfs/dbraw/zinc/82/08/09/608820809.db2.gz ZHKZEZSLZRESOK-UHFFFAOYSA-N -2 3 374.382 0.530 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000826329510 609255128 /nfs/dbraw/zinc/25/51/28/609255128.db2.gz GPMYUUPOGHLFNT-UHFFFAOYSA-N -2 3 373.398 0.533 20 0 FCADHL Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000826329510 609255129 /nfs/dbraw/zinc/25/51/29/609255129.db2.gz GPMYUUPOGHLFNT-UHFFFAOYSA-N -2 3 373.398 0.533 20 0 FCADHL CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825341760 609257434 /nfs/dbraw/zinc/25/74/34/609257434.db2.gz JUUPMARNWYDSPP-ZDUSSCGKSA-N -2 3 364.431 0.692 20 0 FCADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cc(=O)[nH][n-]1 ZINC000826478609 609353089 /nfs/dbraw/zinc/35/30/89/609353089.db2.gz GPIIGMMIMLWGSF-UHFFFAOYSA-N -2 3 355.293 0.006 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826154921 609386553 /nfs/dbraw/zinc/38/65/53/609386553.db2.gz ASPKXBXCRSIEGC-JTQLQIEISA-N -2 3 353.404 0.734 20 0 FCADHL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826154921 609386556 /nfs/dbraw/zinc/38/65/56/609386556.db2.gz ASPKXBXCRSIEGC-JTQLQIEISA-N -2 3 353.404 0.734 20 0 FCADHL O=C([N-][N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2)NC1CCCC1 ZINC000065833056 663958931 /nfs/dbraw/zinc/95/89/31/663958931.db2.gz IKYAZCHHTVSZIE-UHFFFAOYSA-N -2 3 354.388 0.453 20 0 FCADHL CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840900460 664228194 /nfs/dbraw/zinc/22/81/94/664228194.db2.gz XJFGSNYDAVRPCF-UHFFFAOYSA-N -2 3 371.383 0.766 20 0 FCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2c[nH]c3ccccc23)o1 ZINC000031578004 666166067 /nfs/dbraw/zinc/16/60/67/666166067.db2.gz AUPXISZARKCXIY-UHFFFAOYSA-N -2 3 362.367 0.744 20 0 FCADHL CC(=O)N=c1[n-]c(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)cs1 ZINC000058053456 666561168 /nfs/dbraw/zinc/56/11/68/666561168.db2.gz SABGXGLFFFVOEO-UHFFFAOYSA-N -2 3 363.808 0.604 20 0 FCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000754355109 667593644 /nfs/dbraw/zinc/59/36/44/667593644.db2.gz NPJRDFZRTPKVCP-UHFFFAOYSA-N -2 3 373.341 0.159 20 0 FCADHL CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000773999669 668117510 /nfs/dbraw/zinc/11/75/10/668117510.db2.gz CMWKXAKLYYODRN-UHFFFAOYSA-N -2 3 370.362 0.076 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000776437233 668261928 /nfs/dbraw/zinc/26/19/28/668261928.db2.gz DGIDYOOSHPQQFC-VIFPVBQESA-N -3 3 363.319 0.209 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000776635808 668281386 /nfs/dbraw/zinc/28/13/86/668281386.db2.gz UCPJGCHZPSYPSK-MRVPVSSYSA-N -3 3 363.319 0.066 20 0 FCADHL CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898245 668681094 /nfs/dbraw/zinc/68/10/94/668681094.db2.gz IINPUHMWWJTAJR-NSHDSACASA-N -2 3 368.408 0.427 20 0 FCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-])c1F ZINC000787936734 668816358 /nfs/dbraw/zinc/81/63/58/668816358.db2.gz UWOFGYILGOAKBT-QMMMGPOBSA-N -2 3 365.310 0.462 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1=O ZINC000824868239 669421998 /nfs/dbraw/zinc/42/19/98/669421998.db2.gz UIRZRYUZYRGHME-KOLCDFICSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1=O ZINC000824868239 669422001 /nfs/dbraw/zinc/42/20/01/669422001.db2.gz UIRZRYUZYRGHME-KOLCDFICSA-N -2 3 363.399 0.677 20 0 FCADHL CNS(=O)(=O)c1cc(NC(=O)c2cc3c(cc2[O-])OCO3)ccc1[O-] ZINC000807384929 669484630 /nfs/dbraw/zinc/48/46/30/669484630.db2.gz WQWVGFAGULYYMG-UHFFFAOYSA-N -2 3 366.351 0.987 20 0 FCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ncn1 ZINC000826180979 669486718 /nfs/dbraw/zinc/48/67/18/669486718.db2.gz GSRFRJNRFYPHCG-UHFFFAOYSA-N -2 3 351.323 0.605 20 0 FCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ncn1 ZINC000826180979 669486721 /nfs/dbraw/zinc/48/67/21/669486721.db2.gz GSRFRJNRFYPHCG-UHFFFAOYSA-N -2 3 351.323 0.605 20 0 FCADHL CC(C)[C@H](CO)O[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000836898020 670066684 /nfs/dbraw/zinc/06/66/84/670066684.db2.gz UTGVPMFWJPIJGT-QMMMGPOBSA-N -2 3 356.853 0.745 20 0 FCADHL CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1OC ZINC000837296093 670097521 /nfs/dbraw/zinc/09/75/21/670097521.db2.gz XFWWIWNAYOFSJU-MRVPVSSYSA-N -2 3 368.770 0.409 20 0 FCADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])c1 ZINC000844792414 670944406 /nfs/dbraw/zinc/94/44/06/670944406.db2.gz VRRCBUQJCIUVCA-SNVBAGLBSA-N -2 3 362.770 0.811 20 0 FCADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000844799866 670945820 /nfs/dbraw/zinc/94/58/20/670945820.db2.gz VAJWOYDHMZAQNP-ZCFIWIBFSA-N -2 3 361.319 0.384 20 0 FCADHL CC(=O)N1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000844890378 670952312 /nfs/dbraw/zinc/95/23/12/670952312.db2.gz ARESRUZWMUHRPF-UHFFFAOYSA-N -2 3 362.354 0.952 20 0 FCADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)S(C)(=O)=O ZINC000844893947 670953556 /nfs/dbraw/zinc/95/35/56/670953556.db2.gz CWBVWOLZXBHNOF-UHFFFAOYSA-N -2 3 371.383 0.765 20 0 FCADHL CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844894981 670953836 /nfs/dbraw/zinc/95/38/36/670953836.db2.gz XIFJZTKSVKATLB-UHFFFAOYSA-N -2 3 357.356 0.376 20 0 FCADHL CC(C)(C)n1nnc(C[N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000848692716 671291297 /nfs/dbraw/zinc/29/12/97/671291297.db2.gz WAFDKLXRBRUKQM-UHFFFAOYSA-N -2 3 353.404 0.746 20 0 FCADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000852733654 671520365 /nfs/dbraw/zinc/52/03/65/671520365.db2.gz VMEMQUBRPQZLDE-PIGZYNQJSA-N -2 3 350.419 0.111 20 0 FCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903706184 675962370 /nfs/dbraw/zinc/96/23/70/675962370.db2.gz DYYPMYCCLQPJNK-LVEVGFFFSA-N -2 3 366.336 0.386 20 0 FCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-])c1 ZINC000863406973 672121917 /nfs/dbraw/zinc/12/19/17/672121917.db2.gz BXXBTUULKZKEOU-JTQLQIEISA-N -2 3 361.347 0.631 20 0 FCADHL CN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000902064429 675824117 /nfs/dbraw/zinc/82/41/17/675824117.db2.gz DQZDZPRAAMNKTI-VWYCJHECSA-N -2 3 365.352 0.593 20 0 FCADHL Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001021441893 1169342033 /nfs/dbraw/zinc/34/20/33/1169342033.db2.gz DQUGGLFOLQPXCT-NWDGAFQWSA-N -2 3 369.381 0.578 20 0 FCADHL O=C(NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)c1cnc[n-]c1=O ZINC000981605865 1186458721 /nfs/dbraw/zinc/45/87/21/1186458721.db2.gz XOCIMDGAVYGXBC-WDEREUQCSA-N -2 3 357.370 0.611 20 0 FCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000262585569 1187493803 /nfs/dbraw/zinc/49/38/03/1187493803.db2.gz SHHMPPDNYHHSMG-SECBINFHSA-N -2 3 359.404 0.472 20 0 FCADHL O=C(COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[N-]C(=O)c1ccccc1 ZINC000729294788 1187707103 /nfs/dbraw/zinc/70/71/03/1187707103.db2.gz WJTHGKBUVICLJS-UHFFFAOYSA-N -2 3 352.302 0.684 20 0 FCADHL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001170382089 1201209698 /nfs/dbraw/zinc/20/96/98/1201209698.db2.gz CEZHVZWOOCSZFF-ZDUSSCGKSA-N -2 3 369.385 0.867 20 0 FCADHL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCOC[C@H]2c2nn[n-]n2)n1 ZINC001170382089 1201209700 /nfs/dbraw/zinc/20/97/00/1201209700.db2.gz CEZHVZWOOCSZFF-ZDUSSCGKSA-N -2 3 369.385 0.867 20 0 FCADHL O=C(c1ncccc1[O-])N1C[C@H]2OCCN(C(=O)c3ccccc3[O-])[C@H]2C1 ZINC000960046444 1213594410 /nfs/dbraw/zinc/59/44/10/1213594410.db2.gz XHLCGTUAKYBYHN-XJKSGUPXSA-N -2 3 369.377 0.858 20 0 FCADHL O=C(c1ncccc1[O-])N1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC000960276155 1213691312 /nfs/dbraw/zinc/69/13/12/1213691312.db2.gz GIOQFFGMSNOLHH-SMDDNHRTSA-N -2 3 370.365 0.253 20 0 FCADHL COC(=O)[C@H](Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12)c1ccccc1F ZINC001226885715 1225856649 /nfs/dbraw/zinc/85/66/49/1225856649.db2.gz AVWOZLOTFOBSNB-SNVBAGLBSA-N -2 3 362.273 0.969 20 0 FCADHL O=c1nc(OC[C@@H]2OCCc3cn(Cc4ccncc4)nc32)[n-]c(=O)[n-]1 ZINC001227565574 1225878605 /nfs/dbraw/zinc/87/86/05/1225878605.db2.gz AIMXMGASDVRQDR-LBPRGKRZSA-N -2 3 356.342 0.615 20 0 FCADHL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001335818027 1259855732 /nfs/dbraw/zinc/85/57/32/1259855732.db2.gz NTOAHZORBLULEG-YFKPBYRVSA-N -2 3 362.713 0.868 20 0 FCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575439790 1272109605 /nfs/dbraw/zinc/10/96/05/1272109605.db2.gz VPIVTSMBTOCHRR-BDAKNGLRSA-N -2 3 355.362 0.254 20 0 FCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575439790 1272109608 /nfs/dbraw/zinc/10/96/08/1272109608.db2.gz VPIVTSMBTOCHRR-BDAKNGLRSA-N -2 3 355.362 0.254 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575844697 1272519863 /nfs/dbraw/zinc/51/98/63/1272519863.db2.gz YWAIFAPKSGSVSG-QGZVFWFLSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575844697 1272519871 /nfs/dbraw/zinc/51/98/71/1272519871.db2.gz YWAIFAPKSGSVSG-QGZVFWFLSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1ncccc1[O-] ZINC001576060151 1272799199 /nfs/dbraw/zinc/79/91/99/1272799199.db2.gz PXUOLTCDEFIJFS-NXEZZACHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1ncccc1[O-] ZINC001576060151 1272799210 /nfs/dbraw/zinc/79/92/10/1272799210.db2.gz PXUOLTCDEFIJFS-NXEZZACHSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1ncccc1[O-] ZINC001576060155 1272800366 /nfs/dbraw/zinc/80/03/66/1272800366.db2.gz PXUOLTCDEFIJFS-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1ncccc1[O-] ZINC001576060155 1272800381 /nfs/dbraw/zinc/80/03/81/1272800381.db2.gz PXUOLTCDEFIJFS-VHSXEESVSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1ncccc1[O-] ZINC001576060157 1272800484 /nfs/dbraw/zinc/80/04/84/1272800484.db2.gz PXUOLTCDEFIJFS-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1ncccc1[O-] ZINC001576060157 1272800493 /nfs/dbraw/zinc/80/04/93/1272800493.db2.gz PXUOLTCDEFIJFS-ZJUUUORDSA-N -2 3 367.373 0.472 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576351198 1273175077 /nfs/dbraw/zinc/17/50/77/1273175077.db2.gz KTKWMPOAPRWFRB-PWSUYJOCSA-N -2 3 366.385 0.935 20 0 FCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576351200 1273175663 /nfs/dbraw/zinc/17/56/63/1273175663.db2.gz KTKWMPOAPRWFRB-ZYHUDNBSSA-N -2 3 366.385 0.935 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576916214 1273932215 /nfs/dbraw/zinc/93/22/15/1273932215.db2.gz CGUJDCONWOZUMJ-LLVKDONJSA-N -2 3 354.374 0.983 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576916764 1273933185 /nfs/dbraw/zinc/93/31/85/1273933185.db2.gz GEXWJTDWUKPPAF-SNVBAGLBSA-N -2 3 369.389 0.686 20 0 FCADHL CC[C@H](CNC(=O)c1ncccc1[O-])Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576916764 1273933194 /nfs/dbraw/zinc/93/31/94/1273933194.db2.gz GEXWJTDWUKPPAF-SNVBAGLBSA-N -2 3 369.389 0.686 20 0 FCADHL CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001577676383 1274720453 /nfs/dbraw/zinc/72/04/53/1274720453.db2.gz SNRQBLJQRNXNCT-ZETCQYMHSA-N -2 3 374.373 0.338 20 0 FCADHL CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001578101625 1275404739 /nfs/dbraw/zinc/40/47/39/1275404739.db2.gz MDQQNOCNJROZFW-UHFFFAOYSA-N -2 3 370.373 0.188 20 0 FCADHL CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001578955911 1276500445 /nfs/dbraw/zinc/50/04/45/1276500445.db2.gz RICBRCIZXRGFIZ-UHFFFAOYSA-N -2 3 374.386 0.577 20 0 FCADHL CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001578955911 1276500448 /nfs/dbraw/zinc/50/04/48/1276500448.db2.gz RICBRCIZXRGFIZ-UHFFFAOYSA-N -2 3 374.386 0.577 20 0 FCADHL CN(CCCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)c1ncccc1[O-] ZINC001579112360 1276776866 /nfs/dbraw/zinc/77/68/66/1276776866.db2.gz QGQVCGVQQILXHN-UHFFFAOYSA-N -2 3 369.389 0.356 20 0 FCADHL CN(CCCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)c1ncccc1[O-] ZINC001579112360 1276776873 /nfs/dbraw/zinc/77/68/73/1276776873.db2.gz QGQVCGVQQILXHN-UHFFFAOYSA-N -2 3 369.389 0.356 20 0 FCADHL CN(c1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579293524 1277117816 /nfs/dbraw/zinc/11/78/16/1277117816.db2.gz GTLRASSWXKIQQX-NSHDSACASA-N -2 3 366.385 0.713 20 0 FCADHL CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579293524 1277117908 /nfs/dbraw/zinc/11/79/08/1277117908.db2.gz GTLRASSWXKIQQX-NSHDSACASA-N -2 3 366.385 0.713 20 0 FCADHL CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579298168 1277125468 /nfs/dbraw/zinc/12/54/68/1277125468.db2.gz GANWMUHLLLDQLP-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001579298168 1277125471 /nfs/dbraw/zinc/12/54/71/1277125471.db2.gz GANWMUHLLLDQLP-JTQLQIEISA-N -2 3 367.373 0.108 20 0 FCADHL COC(=O)[C@@]1(C)CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C[C@@H]1C ZINC001579472482 1277376213 /nfs/dbraw/zinc/37/62/13/1277376213.db2.gz STXWYCKZBSZTOS-FVMDXXJSSA-N -2 3 372.389 0.246 20 0 FCADHL COC(=O)[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001579472305 1277376988 /nfs/dbraw/zinc/37/69/88/1277376988.db2.gz XDJCCZRPUXFRHN-HTQZYQBOSA-N -2 3 373.341 0.232 20 0 FCADHL COC[C@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1CCCOC1 ZINC001579700803 1277795967 /nfs/dbraw/zinc/79/59/67/1277795967.db2.gz TUORIHGZPJNXEP-MFKMUULPSA-N -2 3 374.405 0.146 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)c1[O-] ZINC001581391673 1279822019 /nfs/dbraw/zinc/82/20/19/1279822019.db2.gz MGAHKZXYZILFPR-LLVKDONJSA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)c1[O-] ZINC001581391358 1279822196 /nfs/dbraw/zinc/82/21/96/1279822196.db2.gz HVNOACSCWCPMCS-UHFFFAOYSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)N[C@@H](CNc2ncccc2-c2nn[n-]n2)C2CC2)c1[O-] ZINC001581391404 1279822904 /nfs/dbraw/zinc/82/29/04/1279822904.db2.gz RIZKULYSBNKKKI-NSHDSACASA-N -2 3 369.389 0.619 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1[O-] ZINC001581391939 1279823373 /nfs/dbraw/zinc/82/33/73/1279823373.db2.gz PKWLRPIYZJTBDW-KYZUINATSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1[O-] ZINC001581391939 1279823374 /nfs/dbraw/zinc/82/33/74/1279823374.db2.gz PKWLRPIYZJTBDW-KYZUINATSA-N -2 3 370.377 0.014 20 0 FCADHL Cc1n[nH]c(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)c1[O-] ZINC001581392102 1279823831 /nfs/dbraw/zinc/82/38/31/1279823831.db2.gz VQXNOZDGAYDRDU-UHFFFAOYSA-N -2 3 370.377 0.158 20 0 FCADHL Cc1n[nH]c(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)c1[O-] ZINC001581392102 1279823835 /nfs/dbraw/zinc/82/38/35/1279823835.db2.gz VQXNOZDGAYDRDU-UHFFFAOYSA-N -2 3 370.377 0.158 20 0 FCADHL C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603465547 1287379054 /nfs/dbraw/zinc/37/90/54/1287379054.db2.gz DHUUURYBRHSQEN-NXEZZACHSA-N -2 3 368.419 0.820 20 0 FCADHL C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603465547 1287379060 /nfs/dbraw/zinc/37/90/60/1287379060.db2.gz DHUUURYBRHSQEN-NXEZZACHSA-N -2 3 368.419 0.820 20 0 FCADHL Cc1nc(C(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001581424907 1279925480 /nfs/dbraw/zinc/92/54/80/1279925480.db2.gz ZXENUMGDXGROGJ-JTQLQIEISA-N -2 3 358.362 0.764 20 0 FCADHL Cc1nc(C(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001581424907 1279925491 /nfs/dbraw/zinc/92/54/91/1279925491.db2.gz ZXENUMGDXGROGJ-JTQLQIEISA-N -2 3 358.362 0.764 20 0 FCADHL CC(C)(C[N-]S(=O)(=O)c1scnc1C(=O)[O-])CS(C)(=O)=O ZINC001603647684 1287457036 /nfs/dbraw/zinc/45/70/36/1287457036.db2.gz MUWQNPAQVGQNDC-UHFFFAOYSA-N -2 3 356.447 0.190 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603647975 1287457224 /nfs/dbraw/zinc/45/72/24/1287457224.db2.gz BCFMJIWIVURDNW-RKDXNWHRSA-N -2 3 355.362 0.376 20 0 FCADHL C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603647975 1287457226 /nfs/dbraw/zinc/45/72/26/1287457226.db2.gz BCFMJIWIVURDNW-RKDXNWHRSA-N -2 3 355.362 0.376 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001582133368 1281089963 /nfs/dbraw/zinc/08/99/63/1281089963.db2.gz BWGYPCFORIIQOH-UHFFFAOYSA-N -2 3 350.339 0.238 20 0 FCADHL O=C(CSc1n[nH]c(=O)[n-]1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001582133368 1281089970 /nfs/dbraw/zinc/08/99/70/1281089970.db2.gz BWGYPCFORIIQOH-UHFFFAOYSA-N -2 3 350.339 0.238 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001603752731 1287487282 /nfs/dbraw/zinc/48/72/82/1287487282.db2.gz XUZSSQPFJCHFGJ-AWEZNQCLSA-N -2 3 369.378 0.632 20 0 FCADHL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001603752731 1287487284 /nfs/dbraw/zinc/48/72/84/1287487284.db2.gz XUZSSQPFJCHFGJ-AWEZNQCLSA-N -2 3 369.378 0.632 20 0 FCADHL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001603752851 1287487552 /nfs/dbraw/zinc/48/75/52/1287487552.db2.gz ZJQYGBXGHWPVGC-CQSZACIVSA-N -2 3 369.378 0.881 20 0 FCADHL O=C(NC1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1)c1ccccc1[O-] ZINC001582318093 1281333382 /nfs/dbraw/zinc/33/33/82/1281333382.db2.gz SEONQDBHTOEUGR-UHFFFAOYSA-N -2 3 366.385 0.761 20 0 FCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603830694 1287508990 /nfs/dbraw/zinc/50/89/90/1287508990.db2.gz MLUYXKDASUSGQE-CBAPKCEASA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC001603845770 1287516201 /nfs/dbraw/zinc/51/62/01/1287516201.db2.gz MGOZRMNPCXVTQP-CWSCBRNRSA-N -2 3 365.415 0.626 20 0 FCADHL C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC001603845770 1287516208 /nfs/dbraw/zinc/51/62/08/1287516208.db2.gz MGOZRMNPCXVTQP-CWSCBRNRSA-N -2 3 365.415 0.626 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ncccc1[O-] ZINC001582614016 1281810859 /nfs/dbraw/zinc/81/08/59/1281810859.db2.gz GPWQVURXRLSKNR-KYZUINATSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ncccc1[O-] ZINC001582614016 1281810863 /nfs/dbraw/zinc/81/08/63/1281810863.db2.gz GPWQVURXRLSKNR-KYZUINATSA-N -2 3 353.346 0.130 20 0 FCADHL O=C(c1ncccc1[O-])N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001582751742 1281976598 /nfs/dbraw/zinc/97/65/98/1281976598.db2.gz UXNUQAAQYZZHJF-UHFFFAOYSA-N -2 3 370.348 0.464 20 0 FCADHL O=C(c1ncccc1[O-])N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001582751742 1281976599 /nfs/dbraw/zinc/97/65/99/1281976599.db2.gz UXNUQAAQYZZHJF-UHFFFAOYSA-N -2 3 370.348 0.464 20 0 FCADHL O=S(=O)(c1ncc[n-]1)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001582801611 1282026142 /nfs/dbraw/zinc/02/61/42/1282026142.db2.gz NGHCMMJDRCMSSK-UHFFFAOYSA-N -2 3 360.403 0.553 20 0 FCADHL O=S(=O)(c1ncc[n-]1)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001582801611 1282026147 /nfs/dbraw/zinc/02/61/47/1282026147.db2.gz NGHCMMJDRCMSSK-UHFFFAOYSA-N -2 3 360.403 0.553 20 0 FCADHL CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1cncc(-c2nnn[n-]2)n1 ZINC001604034423 1287557585 /nfs/dbraw/zinc/55/75/85/1287557585.db2.gz WGJWQGTZHQXCAF-MRVPVSSYSA-N -2 3 358.366 0.014 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001604081888 1287567507 /nfs/dbraw/zinc/56/75/07/1287567507.db2.gz SMISMQVOXSNDKC-HNNXBMFYSA-N -2 3 365.415 0.883 20 0 FCADHL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001604081888 1287567512 /nfs/dbraw/zinc/56/75/12/1287567512.db2.gz SMISMQVOXSNDKC-HNNXBMFYSA-N -2 3 365.415 0.883 20 0 FCADHL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604095246 1287569020 /nfs/dbraw/zinc/56/90/20/1287569020.db2.gz AYSOIKWSRCIFIZ-CHWSQXEVSA-N -2 3 365.415 0.882 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001604095127 1287569378 /nfs/dbraw/zinc/56/93/78/1287569378.db2.gz AFTOGROEKWJWPV-NEPJUHHUSA-N -2 3 351.388 0.741 20 0 FCADHL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001604095127 1287569385 /nfs/dbraw/zinc/56/93/85/1287569385.db2.gz AFTOGROEKWJWPV-NEPJUHHUSA-N -2 3 351.388 0.741 20 0 FCADHL COc1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](c4nnn[n-]4)C3)n2)cc1 ZINC001588218170 1282409213 /nfs/dbraw/zinc/40/92/13/1282409213.db2.gz RXMVPCHJWGQSTO-JTQLQIEISA-N -2 3 355.358 0.729 20 0 FCADHL COc1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](c4nn[n-]n4)C3)n2)cc1 ZINC001588218170 1282409215 /nfs/dbraw/zinc/40/92/15/1282409215.db2.gz RXMVPCHJWGQSTO-JTQLQIEISA-N -2 3 355.358 0.729 20 0 FCADHL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588883486 1282723470 /nfs/dbraw/zinc/72/34/70/1282723470.db2.gz DIUJLUGLWPVDFT-UHFFFAOYSA-N -2 3 373.398 0.751 20 0 FCADHL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588883486 1282723476 /nfs/dbraw/zinc/72/34/76/1282723476.db2.gz DIUJLUGLWPVDFT-UHFFFAOYSA-N -2 3 373.398 0.751 20 0 FCADHL CC(C)(C)OCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589197958 1282814789 /nfs/dbraw/zinc/81/47/89/1282814789.db2.gz XMTYZIKTOKCZIZ-UHFFFAOYSA-N -2 3 367.431 0.670 20 0 FCADHL CC(C)(C)OCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589197958 1282814801 /nfs/dbraw/zinc/81/48/01/1282814801.db2.gz XMTYZIKTOKCZIZ-UHFFFAOYSA-N -2 3 367.431 0.670 20 0 FCADHL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001589417376 1282873480 /nfs/dbraw/zinc/87/34/80/1282873480.db2.gz AJBXLPPGQMFTAS-NSHDSACASA-N -3 3 367.387 0.170 20 0 FCADHL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001589417376 1282873487 /nfs/dbraw/zinc/87/34/87/1282873487.db2.gz AJBXLPPGQMFTAS-NSHDSACASA-N -3 3 367.387 0.170 20 0 FCADHL CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001589440546 1282880524 /nfs/dbraw/zinc/88/05/24/1282880524.db2.gz YWVVWDKVNAKDRB-GFCCVEGCSA-N -2 3 353.404 0.785 20 0 FCADHL CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001589440546 1282880535 /nfs/dbraw/zinc/88/05/35/1282880535.db2.gz YWVVWDKVNAKDRB-GFCCVEGCSA-N -2 3 353.404 0.785 20 0 FCADHL CC(C)[C@@H](CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)[O-] ZINC001589456161 1282887360 /nfs/dbraw/zinc/88/73/60/1282887360.db2.gz AVCZHYXFEVSUOG-LLVKDONJSA-N -2 3 371.394 0.782 20 0 FCADHL CC(C)CN(CCC(=O)[O-])S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001589619437 1282914859 /nfs/dbraw/zinc/91/48/59/1282914859.db2.gz UDJLGOQCUAYRGC-UHFFFAOYSA-N -2 3 353.404 0.988 20 0 FCADHL CC(C)CN(CCC(=O)[O-])S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001589619437 1282914873 /nfs/dbraw/zinc/91/48/73/1282914873.db2.gz UDJLGOQCUAYRGC-UHFFFAOYSA-N -2 3 353.404 0.988 20 0 FCADHL CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001589720250 1282961387 /nfs/dbraw/zinc/96/13/87/1282961387.db2.gz JAWXWVMXSCGKGD-SSDOTTSWSA-N -2 3 374.373 0.336 20 0 FCADHL CC(C)n1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)n2C)cn1 ZINC001589781833 1282999613 /nfs/dbraw/zinc/99/96/13/1282999613.db2.gz JKKKJCLPYUVRMI-UHFFFAOYSA-N -2 3 364.391 0.101 20 0 FCADHL CC(C)n1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)n2C)cn1 ZINC001589781833 1282999630 /nfs/dbraw/zinc/99/96/30/1282999630.db2.gz JKKKJCLPYUVRMI-UHFFFAOYSA-N -2 3 364.391 0.101 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC001590032017 1283184212 /nfs/dbraw/zinc/18/42/12/1283184212.db2.gz SKMQNIBROGTROQ-SNVBAGLBSA-N -2 3 374.382 0.534 20 0 FCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC001590032017 1283184215 /nfs/dbraw/zinc/18/42/15/1283184215.db2.gz SKMQNIBROGTROQ-SNVBAGLBSA-N -2 3 374.382 0.534 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CCCO1 ZINC001590069003 1283199683 /nfs/dbraw/zinc/19/96/83/1283199683.db2.gz QJHZEYGYUHDXFV-CQSZACIVSA-N -2 3 369.378 0.521 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCCO1 ZINC001590069003 1283199688 /nfs/dbraw/zinc/19/96/88/1283199688.db2.gz QJHZEYGYUHDXFV-CQSZACIVSA-N -2 3 369.378 0.521 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001590071680 1283202424 /nfs/dbraw/zinc/20/24/24/1283202424.db2.gz UNBFOAIMHXEORB-UHFFFAOYSA-N -2 3 365.415 0.883 20 0 FCADHL CC1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001590071680 1283202430 /nfs/dbraw/zinc/20/24/30/1283202430.db2.gz UNBFOAIMHXEORB-UHFFFAOYSA-N -2 3 365.415 0.883 20 0 FCADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001590087633 1283210974 /nfs/dbraw/zinc/21/09/74/1283210974.db2.gz VGJWAXAPAJLAJL-KRWDZBQOSA-N -2 3 371.401 0.411 20 0 FCADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001590087633 1283210980 /nfs/dbraw/zinc/21/09/80/1283210980.db2.gz VGJWAXAPAJLAJL-KRWDZBQOSA-N -2 3 371.401 0.411 20 0 FCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590143332 1283242901 /nfs/dbraw/zinc/24/29/01/1283242901.db2.gz XZGCONFJXVSLPW-LBPRGKRZSA-N -2 3 358.280 0.743 20 0 FCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590143332 1283242909 /nfs/dbraw/zinc/24/29/09/1283242909.db2.gz XZGCONFJXVSLPW-LBPRGKRZSA-N -2 3 358.280 0.743 20 0 FCADHL Cc1[n-]n(Cc2ccc(-c3nn[n-]n3)cc2)c(=O)c1[C@@H]1CCS(=O)(=O)C1 ZINC001590160392 1283254518 /nfs/dbraw/zinc/25/45/18/1283254518.db2.gz AGEUDCWZPVNCJR-KGLIPLIRSA-N -2 3 374.426 0.636 20 0 FCADHL Cc1[n-]n(-c2cccc(-c3nn[n-]n3)c2)c(=O)c1[C@H]1CCS(=O)(=O)C1 ZINC001590162559 1283255792 /nfs/dbraw/zinc/25/57/92/1283255792.db2.gz YZVXIQCLARHIEJ-AAEUAGOBSA-N -2 3 360.399 0.640 20 0 FCADHL C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590180557 1283285856 /nfs/dbraw/zinc/28/58/56/1283285856.db2.gz HPQAGCMDOYAORY-TVQRCGJNSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590180557 1283285864 /nfs/dbraw/zinc/28/58/64/1283285864.db2.gz HPQAGCMDOYAORY-TVQRCGJNSA-N -2 3 363.399 0.677 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001590185221 1283291323 /nfs/dbraw/zinc/29/13/23/1283291323.db2.gz NAUBEAQCVDOCJX-SCZZXKLOSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001590185221 1283291332 /nfs/dbraw/zinc/29/13/32/1283291332.db2.gz NAUBEAQCVDOCJX-SCZZXKLOSA-N -2 3 369.378 0.737 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001590186648 1283291519 /nfs/dbraw/zinc/29/15/19/1283291519.db2.gz XMSCDHUBYRXCNN-KOLCDFICSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590186648 1283291526 /nfs/dbraw/zinc/29/15/26/1283291526.db2.gz XMSCDHUBYRXCNN-KOLCDFICSA-N -2 3 358.358 0.374 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC001590190066 1283295959 /nfs/dbraw/zinc/29/59/59/1283295959.db2.gz FMRFVSAVROGXNZ-KBVBSXBZSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC001590190066 1283295969 /nfs/dbraw/zinc/29/59/69/1283295969.db2.gz FMRFVSAVROGXNZ-KBVBSXBZSA-N -2 3 351.388 0.485 20 0 FCADHL C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590247019 1283376775 /nfs/dbraw/zinc/37/67/75/1283376775.db2.gz IBVPENVFAJJMIJ-UWVGGRQHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590247019 1283376785 /nfs/dbraw/zinc/37/67/85/1283376785.db2.gz IBVPENVFAJJMIJ-UWVGGRQHSA-N -2 3 350.404 0.893 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1C(=O)[O-] ZINC001590261279 1283384695 /nfs/dbraw/zinc/38/46/95/1283384695.db2.gz LYGNIFZLVQXQHE-BXKDBHETSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1C(=O)[O-] ZINC001590261279 1283384702 /nfs/dbraw/zinc/38/47/02/1283384702.db2.gz LYGNIFZLVQXQHE-BXKDBHETSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590270930 1283398557 /nfs/dbraw/zinc/39/85/57/1283398557.db2.gz CJFAUIIYZVNZTC-GBIKHYSHSA-N -2 3 358.406 0.596 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C[C@@H]1C(=O)[O-] ZINC001590276928 1283404760 /nfs/dbraw/zinc/40/47/60/1283404760.db2.gz RPIKWKPMFCKHMM-PELKAZGASA-N -2 3 369.378 0.737 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C[C@@H]1C(=O)[O-] ZINC001590276928 1283404764 /nfs/dbraw/zinc/40/47/64/1283404764.db2.gz RPIKWKPMFCKHMM-PELKAZGASA-N -2 3 369.378 0.737 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@H](C(=O)[O-])C1 ZINC001590277334 1283404810 /nfs/dbraw/zinc/40/48/10/1283404810.db2.gz VNKBWJQCZNPZHE-UFBFGSQYSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001590276748 1283405065 /nfs/dbraw/zinc/40/50/65/1283405065.db2.gz QZCXRQIOWXZKIS-WRWORJQWSA-N -2 3 355.351 0.490 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC[C@H]1C(=O)[O-] ZINC001590309157 1283452567 /nfs/dbraw/zinc/45/25/67/1283452567.db2.gz KFUUXCZBQNJRLS-ZYHUDNBSSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1CN(S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC[C@H]1C(=O)[O-] ZINC001590309157 1283452570 /nfs/dbraw/zinc/45/25/70/1283452570.db2.gz KFUUXCZBQNJRLS-ZYHUDNBSSA-N -2 3 365.415 0.739 20 0 FCADHL C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590322789 1283465440 /nfs/dbraw/zinc/46/54/40/1283465440.db2.gz HIRUWKINQHKWBV-ZJUUUORDSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590322789 1283465448 /nfs/dbraw/zinc/46/54/48/1283465448.db2.gz HIRUWKINQHKWBV-ZJUUUORDSA-N -2 3 351.388 0.344 20 0 FCADHL C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590327183 1283470077 /nfs/dbraw/zinc/47/00/77/1283470077.db2.gz ZQOKJHNGIHLKHM-GWCFXTLKSA-N -2 3 365.415 0.485 20 0 FCADHL C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590327183 1283470085 /nfs/dbraw/zinc/47/00/85/1283470085.db2.gz ZQOKJHNGIHLKHM-GWCFXTLKSA-N -2 3 365.415 0.485 20 0 FCADHL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590371327 1283505629 /nfs/dbraw/zinc/50/56/29/1283505629.db2.gz WOZHSDXKXWJDRK-SECBINFHSA-N -2 3 355.376 0.359 20 0 FCADHL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590371327 1283505635 /nfs/dbraw/zinc/50/56/35/1283505635.db2.gz WOZHSDXKXWJDRK-SECBINFHSA-N -2 3 355.376 0.359 20 0 FCADHL CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590385096 1283511679 /nfs/dbraw/zinc/51/16/79/1283511679.db2.gz NLSBFMMNVFJCHC-CQSZACIVSA-N -2 3 369.403 0.495 20 0 FCADHL CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590385096 1283511687 /nfs/dbraw/zinc/51/16/87/1283511687.db2.gz NLSBFMMNVFJCHC-CQSZACIVSA-N -2 3 369.403 0.495 20 0 FCADHL CC[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC)C(=O)[O-] ZINC001590436219 1283533663 /nfs/dbraw/zinc/53/36/63/1283533663.db2.gz JEGHDMSPXJAXGF-SECBINFHSA-N -2 3 369.403 0.655 20 0 FCADHL CC[C@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC)C(=O)[O-] ZINC001590436219 1283533670 /nfs/dbraw/zinc/53/36/70/1283533670.db2.gz JEGHDMSPXJAXGF-SECBINFHSA-N -2 3 369.403 0.655 20 0 FCADHL CC[C@@H](CNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C(=O)[O-] ZINC001590446861 1283541502 /nfs/dbraw/zinc/54/15/02/1283541502.db2.gz OLCRSGXJVHZXSP-ZETCQYMHSA-N -2 3 359.795 0.909 20 0 FCADHL CC[C@H](CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)CC(=O)[O-] ZINC001590446061 1283541574 /nfs/dbraw/zinc/54/15/74/1283541574.db2.gz DQQISMFAOJNMCS-VIFPVBQESA-N -2 3 371.394 0.926 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590499576 1283568725 /nfs/dbraw/zinc/56/87/25/1283568725.db2.gz MAUMZFOYUAQRAY-WDEREUQCSA-N -2 3 352.376 0.136 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590499576 1283568728 /nfs/dbraw/zinc/56/87/28/1283568728.db2.gz MAUMZFOYUAQRAY-WDEREUQCSA-N -2 3 352.376 0.136 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001590501153 1283570683 /nfs/dbraw/zinc/57/06/83/1283570683.db2.gz WQANHURLBDRXGY-QWHCGFSZSA-N -2 3 365.415 0.882 20 0 FCADHL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001590501153 1283570689 /nfs/dbraw/zinc/57/06/89/1283570689.db2.gz WQANHURLBDRXGY-QWHCGFSZSA-N -2 3 365.415 0.882 20 0 FCADHL CCC[C@H](O)[C@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(=O)[O-] ZINC001590560367 1283605540 /nfs/dbraw/zinc/60/55/40/1283605540.db2.gz NFCGLMHDTAEYKV-JQWIXIFHSA-N -2 3 369.403 0.068 20 0 FCADHL CCC[C@H]1CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC001590572986 1283618343 /nfs/dbraw/zinc/61/83/43/1283618343.db2.gz WBCYKZWITYUQCC-JOYOIKCWSA-N -2 3 366.403 0.526 20 0 FCADHL CCC[C@H]1CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC001590572986 1283618361 /nfs/dbraw/zinc/61/83/61/1283618361.db2.gz WBCYKZWITYUQCC-JOYOIKCWSA-N -2 3 366.403 0.526 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590620262 1283660020 /nfs/dbraw/zinc/66/00/20/1283660020.db2.gz WVXHYHQTBSHCFL-UHFFFAOYSA-N -2 3 364.431 0.601 20 0 FCADHL CCCN(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590620262 1283660041 /nfs/dbraw/zinc/66/00/41/1283660041.db2.gz WVXHYHQTBSHCFL-UHFFFAOYSA-N -2 3 364.431 0.601 20 0 FCADHL CCC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590652252 1283703675 /nfs/dbraw/zinc/70/36/75/1283703675.db2.gz IMRDOENQIIAMRN-LLVKDONJSA-N -2 3 357.367 0.679 20 0 FCADHL CCC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001590652252 1283703682 /nfs/dbraw/zinc/70/36/82/1283703682.db2.gz IMRDOENQIIAMRN-LLVKDONJSA-N -2 3 357.367 0.679 20 0 FCADHL CCCc1nc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)co1 ZINC001590660119 1283709980 /nfs/dbraw/zinc/70/99/80/1283709980.db2.gz OUOADENOMLQURC-UHFFFAOYSA-N -2 3 363.359 0.321 20 0 FCADHL CCCc1nc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)co1 ZINC001590660119 1283709988 /nfs/dbraw/zinc/70/99/88/1283709988.db2.gz OUOADENOMLQURC-UHFFFAOYSA-N -2 3 363.359 0.321 20 0 FCADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590677015 1283726047 /nfs/dbraw/zinc/72/60/47/1283726047.db2.gz QPVZEKYUZMVLSG-VIFPVBQESA-N -2 3 369.403 0.749 20 0 FCADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590677015 1283726051 /nfs/dbraw/zinc/72/60/51/1283726051.db2.gz QPVZEKYUZMVLSG-VIFPVBQESA-N -2 3 369.403 0.749 20 0 FCADHL CCO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001590779451 1283837451 /nfs/dbraw/zinc/83/74/51/1283837451.db2.gz YQBCLWBISJSJCP-ZDUSSCGKSA-N -2 3 367.431 0.874 20 0 FCADHL CCO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001590779451 1283837460 /nfs/dbraw/zinc/83/74/60/1283837460.db2.gz YQBCLWBISJSJCP-ZDUSSCGKSA-N -2 3 367.431 0.874 20 0 FCADHL CCO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001590779449 1283837647 /nfs/dbraw/zinc/83/76/47/1283837647.db2.gz YQBCLWBISJSJCP-CYBMUJFWSA-N -2 3 367.431 0.874 20 0 FCADHL CCO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001590779449 1283837656 /nfs/dbraw/zinc/83/76/56/1283837656.db2.gz YQBCLWBISJSJCP-CYBMUJFWSA-N -2 3 367.431 0.874 20 0 FCADHL CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590783090 1283840170 /nfs/dbraw/zinc/84/01/70/1283840170.db2.gz YZHDVMYXIJBEKB-LBPRGKRZSA-N -2 3 353.404 0.628 20 0 FCADHL CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590783090 1283840178 /nfs/dbraw/zinc/84/01/78/1283840178.db2.gz YZHDVMYXIJBEKB-LBPRGKRZSA-N -2 3 353.404 0.628 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590814895 1283894386 /nfs/dbraw/zinc/89/43/86/1283894386.db2.gz DCMOJADWMQFIDV-UHFFFAOYSA-N -2 3 367.431 0.627 20 0 FCADHL CCOCCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590814895 1283894396 /nfs/dbraw/zinc/89/43/96/1283894396.db2.gz DCMOJADWMQFIDV-UHFFFAOYSA-N -2 3 367.431 0.627 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001590816361 1283896323 /nfs/dbraw/zinc/89/63/23/1283896323.db2.gz JETMRMDCQHOZPF-UHFFFAOYSA-N -2 3 354.754 0.543 20 0 FCADHL CCOCCO[N-]C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001590816361 1283896332 /nfs/dbraw/zinc/89/63/32/1283896332.db2.gz JETMRMDCQHOZPF-UHFFFAOYSA-N -2 3 354.754 0.543 20 0 FCADHL CCOCc1nnc([N-]S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)o1 ZINC001590818608 1283899770 /nfs/dbraw/zinc/89/97/70/1283899770.db2.gz LJMHBZRWQXNWNB-UHFFFAOYSA-N -2 3 366.363 0.290 20 0 FCADHL CCOCc1nnc([N-]S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)o1 ZINC001590818608 1283899778 /nfs/dbraw/zinc/89/97/78/1283899778.db2.gz LJMHBZRWQXNWNB-UHFFFAOYSA-N -2 3 366.363 0.290 20 0 FCADHL CCO[N-]C(=O)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1C ZINC001590819000 1283900723 /nfs/dbraw/zinc/90/07/23/1283900723.db2.gz MKNJFYZEJQSXIM-UHFFFAOYSA-N -2 3 369.179 0.944 20 0 FCADHL CCO[N-]C(=O)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1C ZINC001590819000 1283900732 /nfs/dbraw/zinc/90/07/32/1283900732.db2.gz MKNJFYZEJQSXIM-UHFFFAOYSA-N -2 3 369.179 0.944 20 0 FCADHL CCc1c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ccn1C ZINC001590874810 1283944992 /nfs/dbraw/zinc/94/49/92/1283944992.db2.gz YCMWNTQYZQKFKP-UHFFFAOYSA-N -2 3 360.399 0.886 20 0 FCADHL CCc1c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccn1C ZINC001590874810 1283945002 /nfs/dbraw/zinc/94/50/02/1283945002.db2.gz YCMWNTQYZQKFKP-UHFFFAOYSA-N -2 3 360.399 0.886 20 0 FCADHL CCc1ccc(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001590886722 1283948171 /nfs/dbraw/zinc/94/81/71/1283948171.db2.gz IYYYANMSQNUXBS-UHFFFAOYSA-N -2 3 372.410 0.872 20 0 FCADHL CCc1ccc(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001590886722 1283948183 /nfs/dbraw/zinc/94/81/83/1283948183.db2.gz IYYYANMSQNUXBS-UHFFFAOYSA-N -2 3 372.410 0.872 20 0 FCADHL CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC001591034382 1284095719 /nfs/dbraw/zinc/09/57/19/1284095719.db2.gz SAGIZLWRENRVLF-UHFFFAOYSA-N -2 3 369.798 0.505 20 0 FCADHL CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001591034382 1284095730 /nfs/dbraw/zinc/09/57/30/1284095730.db2.gz SAGIZLWRENRVLF-UHFFFAOYSA-N -2 3 369.798 0.505 20 0 FCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1ccc(N(C)C)nc1 ZINC001604617345 1287689885 /nfs/dbraw/zinc/68/98/85/1287689885.db2.gz BTAQTELXBRWEKF-UHFFFAOYSA-N -2 3 363.407 0.345 20 0 FCADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001591213741 1284345358 /nfs/dbraw/zinc/34/53/58/1284345358.db2.gz JWRVDFVTCVYKFS-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001591213741 1284345367 /nfs/dbraw/zinc/34/53/67/1284345367.db2.gz JWRVDFVTCVYKFS-UHFFFAOYSA-N -2 3 373.398 0.731 20 0 FCADHL COC(=O)C1CC2(C1)CN(c1ccc(-c3nn[n-]n3)cc1)C[C@@H]2C(=O)[O-] ZINC001591249254 1284403792 /nfs/dbraw/zinc/40/37/92/1284403792.db2.gz NNFKGBBFZZTHRU-OFKYTCTHSA-N -2 3 357.370 0.957 20 0 FCADHL COC(=O)[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H](C(=O)[O-])C1 ZINC001591253370 1284409488 /nfs/dbraw/zinc/40/94/88/1284409488.db2.gz SEQOCUHGXSAGGQ-JQWIXIFHSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H](C(=O)[O-])C1 ZINC001591253370 1284409495 /nfs/dbraw/zinc/40/94/95/1284409495.db2.gz SEQOCUHGXSAGGQ-JQWIXIFHSA-N -2 3 374.357 0.737 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)nc1 ZINC001591296610 1284450923 /nfs/dbraw/zinc/45/09/23/1284450923.db2.gz OMLSWWZDLOAFCC-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)nc1 ZINC001591296610 1284450927 /nfs/dbraw/zinc/45/09/27/1284450927.db2.gz OMLSWWZDLOAFCC-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001591298437 1284451217 /nfs/dbraw/zinc/45/12/17/1284451217.db2.gz PNVCPWQVPZANAX-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001591298437 1284451222 /nfs/dbraw/zinc/45/12/22/1284451222.db2.gz PNVCPWQVPZANAX-UHFFFAOYSA-N -2 3 361.343 0.244 20 0 FCADHL CO[C@@](C)(C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001591315175 1284463387 /nfs/dbraw/zinc/46/33/87/1284463387.db2.gz PSHXPXWBXAOTTP-CQSZACIVSA-N -2 3 351.388 0.487 20 0 FCADHL CO[C@@](C)(C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001591315175 1284463391 /nfs/dbraw/zinc/46/33/91/1284463391.db2.gz PSHXPXWBXAOTTP-CQSZACIVSA-N -2 3 351.388 0.487 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(C)n1)[C@@H]1CCOC1 ZINC001591332986 1284475328 /nfs/dbraw/zinc/47/53/28/1284475328.db2.gz GTCIUYKCMGUQFK-ZYHUDNBSSA-N -2 3 368.419 0.363 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001591376656 1284515227 /nfs/dbraw/zinc/51/52/27/1284515227.db2.gz XBFLZRCYYQSIDB-VIFPVBQESA-N -2 3 368.419 0.027 20 0 FCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001591376656 1284515234 /nfs/dbraw/zinc/51/52/34/1284515234.db2.gz XBFLZRCYYQSIDB-VIFPVBQESA-N -2 3 368.419 0.027 20 0 FCADHL COCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001591411939 1284558185 /nfs/dbraw/zinc/55/81/85/1284558185.db2.gz YGSOSHHSLJYHLZ-UHFFFAOYSA-N -2 3 353.404 0.629 20 0 FCADHL COCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001591411939 1284558194 /nfs/dbraw/zinc/55/81/94/1284558194.db2.gz YGSOSHHSLJYHLZ-UHFFFAOYSA-N -2 3 353.404 0.629 20 0 FCADHL COCCCO[N-]C(=O)C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001591416817 1284569079 /nfs/dbraw/zinc/56/90/79/1284569079.db2.gz CGVUTUUBGUJWRR-UHFFFAOYSA-N -2 3 368.325 0.037 20 0 FCADHL COCCCO[N-]C(=O)C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001591416817 1284569086 /nfs/dbraw/zinc/56/90/86/1284569086.db2.gz CGVUTUUBGUJWRR-UHFFFAOYSA-N -2 3 368.325 0.037 20 0 FCADHL COCCOCCS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1C(C)=O ZINC001591439373 1284595142 /nfs/dbraw/zinc/59/51/42/1284595142.db2.gz BYOLHGNHLRWNPF-UHFFFAOYSA-N -2 3 369.403 0.474 20 0 FCADHL COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C(C)C ZINC001591505407 1284689667 /nfs/dbraw/zinc/68/96/67/1284689667.db2.gz HAYAGJQJXFPYDW-GHMZBOCLSA-N -2 3 365.415 0.972 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C(C)C ZINC001591505407 1284689677 /nfs/dbraw/zinc/68/96/77/1284689677.db2.gz HAYAGJQJXFPYDW-GHMZBOCLSA-N -2 3 365.415 0.972 20 0 FCADHL COc1cc(NC(=O)C(=O)[N-]OCCSC)c(F)cc1-c1nnn[n-]1 ZINC001591543430 1284724582 /nfs/dbraw/zinc/72/45/82/1284724582.db2.gz BWMIJHOQOPBWIJ-UHFFFAOYSA-N -2 3 370.366 0.364 20 0 FCADHL COc1cc(NC(=O)C(=O)[N-]OCCSC)c(F)cc1-c1nn[n-]n1 ZINC001591543430 1284724592 /nfs/dbraw/zinc/72/45/92/1284724592.db2.gz BWMIJHOQOPBWIJ-UHFFFAOYSA-N -2 3 370.366 0.364 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001591572969 1284749871 /nfs/dbraw/zinc/74/98/71/1284749871.db2.gz FYWUFORIRNXVTH-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001591572969 1284749877 /nfs/dbraw/zinc/74/98/77/1284749877.db2.gz FYWUFORIRNXVTH-UHFFFAOYSA-N -2 3 359.367 0.994 20 0 FCADHL CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001591676622 1284812297 /nfs/dbraw/zinc/81/22/97/1284812297.db2.gz GNZFCNYSBOLOCN-GFCCVEGCSA-N -2 3 366.403 0.091 20 0 FCADHL CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001591676622 1284812301 /nfs/dbraw/zinc/81/23/01/1284812301.db2.gz GNZFCNYSBOLOCN-GFCCVEGCSA-N -2 3 366.403 0.091 20 0 FCADHL CSCCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591700457 1284839973 /nfs/dbraw/zinc/83/99/73/1284839973.db2.gz WYOVECGDZQFMDE-UHFFFAOYSA-N -2 3 363.446 0.367 20 0 FCADHL Cc1c(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)nn1C ZINC001591798429 1284912873 /nfs/dbraw/zinc/91/28/73/1284912873.db2.gz FKEYUQGPVPRECV-UHFFFAOYSA-N -2 3 374.430 0.702 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c(C)n1C ZINC001591929573 1285016452 /nfs/dbraw/zinc/01/64/52/1285016452.db2.gz DYNUZRYEDZWOHN-UHFFFAOYSA-N -2 3 360.399 0.941 20 0 FCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c(C)n1C ZINC001591929573 1285016457 /nfs/dbraw/zinc/01/64/57/1285016457.db2.gz DYNUZRYEDZWOHN-UHFFFAOYSA-N -2 3 360.399 0.941 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc(-c2nnn[n-]2)c1 ZINC001592011626 1285060253 /nfs/dbraw/zinc/06/02/53/1285060253.db2.gz MIXYWVKOZIUULB-INIZCTEOSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc(-c2nn[n-]n2)c1 ZINC001592011626 1285060262 /nfs/dbraw/zinc/06/02/62/1285060262.db2.gz MIXYWVKOZIUULB-INIZCTEOSA-N -2 3 358.358 0.437 20 0 FCADHL Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc(-c2nnn[n-]2)c1 ZINC001592014034 1285068404 /nfs/dbraw/zinc/06/84/04/1285068404.db2.gz YGOINPYCQFHQOB-GXSJLCMTSA-N -2 3 358.358 0.483 20 0 FCADHL Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc(-c2nn[n-]n2)c1 ZINC001592014034 1285068415 /nfs/dbraw/zinc/06/84/15/1285068415.db2.gz YGOINPYCQFHQOB-GXSJLCMTSA-N -2 3 358.358 0.483 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n2ncnc2n1 ZINC001592053959 1285097483 /nfs/dbraw/zinc/09/74/83/1285097483.db2.gz GITBWEKKJILEEZ-UHFFFAOYSA-N -2 3 371.386 0.722 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n2ncnc2n1 ZINC001592053959 1285097492 /nfs/dbraw/zinc/09/74/92/1285097492.db2.gz GITBWEKKJILEEZ-UHFFFAOYSA-N -2 3 371.386 0.722 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592064994 1285105726 /nfs/dbraw/zinc/10/57/26/1285105726.db2.gz QQYAPTSLJFUXEB-LBPRGKRZSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592064994 1285105729 /nfs/dbraw/zinc/10/57/29/1285105729.db2.gz QQYAPTSLJFUXEB-LBPRGKRZSA-N -2 3 353.404 0.953 20 0 FCADHL Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)ccc1C(=O)[O-] ZINC001592067846 1285107102 /nfs/dbraw/zinc/10/71/02/1285107102.db2.gz UKOIHGOYLLYLGZ-UHFFFAOYSA-N -3 3 363.359 0.408 20 0 FCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC001592109160 1285143851 /nfs/dbraw/zinc/14/38/51/1285143851.db2.gz CYOKWZGZHOVLHR-OPQQBVKSSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC001592109160 1285143858 /nfs/dbraw/zinc/14/38/58/1285143858.db2.gz CYOKWZGZHOVLHR-OPQQBVKSSA-N -2 3 365.415 0.794 20 0 FCADHL Cc1ccc(S(=O)(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592189324 1285173499 /nfs/dbraw/zinc/17/34/99/1285173499.db2.gz ALEDESFOUIRIHM-PSASIEDQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1ccc(S(=O)(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592189324 1285173506 /nfs/dbraw/zinc/17/35/06/1285173506.db2.gz ALEDESFOUIRIHM-PSASIEDQSA-N -2 3 369.428 0.712 20 0 FCADHL Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1 ZINC001592214764 1285185897 /nfs/dbraw/zinc/18/58/97/1285185897.db2.gz VITBVZYUBHUHIA-SECBINFHSA-N -2 3 351.388 0.516 20 0 FCADHL Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1 ZINC001592214764 1285185905 /nfs/dbraw/zinc/18/59/05/1285185905.db2.gz VITBVZYUBHUHIA-SECBINFHSA-N -2 3 351.388 0.516 20 0 FCADHL Cc1ccn2cnnc2c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592268765 1285209153 /nfs/dbraw/zinc/20/91/53/1285209153.db2.gz ILAAEMNYIABNQO-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1ccn2cnnc2c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592268765 1285209159 /nfs/dbraw/zinc/20/91/59/1285209159.db2.gz ILAAEMNYIABNQO-UHFFFAOYSA-N -2 3 357.359 0.414 20 0 FCADHL Cc1[nH]nc([N-]S(=O)(=O)c2cccc3nsnc32)c1-c1nnn[n-]1 ZINC001592331386 1285238534 /nfs/dbraw/zinc/23/85/34/1285238534.db2.gz CYXMUQSLTBBMBX-UHFFFAOYSA-N -2 3 363.388 0.704 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592413610 1285332264 /nfs/dbraw/zinc/33/22/64/1285332264.db2.gz MXAUTVVCCIDYKC-LLVKDONJSA-N -2 3 368.419 0.738 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592413610 1285332267 /nfs/dbraw/zinc/33/22/67/1285332267.db2.gz MXAUTVVCCIDYKC-LLVKDONJSA-N -2 3 368.419 0.738 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2nnc(C3CCC3)[nH]2)cc1-c1nn[n-]n1 ZINC001592414441 1285335349 /nfs/dbraw/zinc/33/53/49/1285335349.db2.gz HJZNRBZQCPGQBM-UHFFFAOYSA-N -2 3 361.391 0.757 20 0 FCADHL Cc1ncc(S(=O)(=O)NC[C@H]2CCC[C@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001592414857 1285339620 /nfs/dbraw/zinc/33/96/20/1285339620.db2.gz OLUXUHBVHNUQJM-MWLCHTKSSA-N -2 3 366.403 0.349 20 0 FCADHL Cc1ncc(S(=O)(=O)NC[C@H]2CCC[C@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592414857 1285339631 /nfs/dbraw/zinc/33/96/31/1285339631.db2.gz OLUXUHBVHNUQJM-MWLCHTKSSA-N -2 3 366.403 0.349 20 0 FCADHL Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc12 ZINC001592431757 1285364612 /nfs/dbraw/zinc/36/46/12/1285364612.db2.gz GUPWKABCEAVAQW-UHFFFAOYSA-N -2 3 371.386 0.653 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC001592561658 1285473226 /nfs/dbraw/zinc/47/32/26/1285473226.db2.gz QIUHWHCLKUVRDJ-UHFFFAOYSA-N -2 3 368.325 0.602 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC001592561658 1285473229 /nfs/dbraw/zinc/47/32/29/1285473229.db2.gz QIUHWHCLKUVRDJ-UHFFFAOYSA-N -2 3 368.325 0.602 20 0 FCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC001592561544 1285473253 /nfs/dbraw/zinc/47/32/53/1285473253.db2.gz JSRFVUFUNWLTOD-UHFFFAOYSA-N -2 3 356.408 0.080 20 0 FCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC001592561544 1285473254 /nfs/dbraw/zinc/47/32/54/1285473254.db2.gz JSRFVUFUNWLTOD-UHFFFAOYSA-N -2 3 356.408 0.080 20 0 FCADHL NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC001592736559 1285648892 /nfs/dbraw/zinc/64/88/92/1285648892.db2.gz AWCUIGIQEHOKAL-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001592736641 1285649661 /nfs/dbraw/zinc/64/96/61/1285649661.db2.gz HROGHYFEINWPQS-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001592736641 1285649674 /nfs/dbraw/zinc/64/96/74/1285649674.db2.gz HROGHYFEINWPQS-UHFFFAOYSA-N -2 3 362.346 0.906 20 0 FCADHL O=C(CCc1cnccn1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592855773 1285759418 /nfs/dbraw/zinc/75/94/18/1285759418.db2.gz ODCLZMZNYLMVNO-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CCc1cnccn1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592855773 1285759421 /nfs/dbraw/zinc/75/94/21/1285759421.db2.gz ODCLZMZNYLMVNO-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CCc1cnccn1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592855830 1285759458 /nfs/dbraw/zinc/75/94/58/1285759458.db2.gz XLKDGOBSQHVGTB-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CCc1cnccn1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592855830 1285759462 /nfs/dbraw/zinc/75/94/62/1285759462.db2.gz XLKDGOBSQHVGTB-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(COCC1CC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001592887295 1285794722 /nfs/dbraw/zinc/79/47/22/1285794722.db2.gz UWPHHRWFTUBOON-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL O=C(COCC1CC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001592887295 1285794724 /nfs/dbraw/zinc/79/47/24/1285794724.db2.gz UWPHHRWFTUBOON-UHFFFAOYSA-N -2 3 351.388 0.239 20 0 FCADHL O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592922142 1285813357 /nfs/dbraw/zinc/81/33/57/1285813357.db2.gz VBAJNBCBPPBDDG-UHFFFAOYSA-N -2 3 362.346 0.448 20 0 FCADHL O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592922142 1285813361 /nfs/dbraw/zinc/81/33/61/1285813361.db2.gz VBAJNBCBPPBDDG-UHFFFAOYSA-N -2 3 362.346 0.448 20 0 FCADHL CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001609278025 1289041602 /nfs/dbraw/zinc/04/16/02/1289041602.db2.gz PEEIXSGNDASUQK-QWHCGFSZSA-N -2 3 372.385 0.195 20 0 FCADHL CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001609278025 1289041611 /nfs/dbraw/zinc/04/16/11/1289041611.db2.gz PEEIXSGNDASUQK-QWHCGFSZSA-N -2 3 372.385 0.195 20 0 FCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001593079933 1285979173 /nfs/dbraw/zinc/97/91/73/1285979173.db2.gz AKCPEWQAMKYSAL-UHFFFAOYSA-N -2 3 353.346 0.534 20 0 FCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593079933 1285979184 /nfs/dbraw/zinc/97/91/84/1285979184.db2.gz AKCPEWQAMKYSAL-UHFFFAOYSA-N -2 3 353.346 0.534 20 0 FCADHL O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1ccc([O-])c(F)c1 ZINC001593196219 1286038299 /nfs/dbraw/zinc/03/82/99/1286038299.db2.gz LSUCZNXGGNIIDD-UHFFFAOYSA-N -2 3 374.336 0.523 20 0 FCADHL O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1ccc([O-])c(F)c1 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Cc1[nH]nc(S(=O)(=O)[N-]CC(=O)c2c(F)cccc2F)c1C(=O)[O-] ZINC001600673155 1286524143 /nfs/dbraw/zinc/52/41/43/1286524143.db2.gz OSSIZVXBPMJQQT-UHFFFAOYSA-N -2 3 359.310 0.856 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCc2ccc(CC(=O)[O-])cc2)c1C(=O)[O-] ZINC001600673716 1286524728 /nfs/dbraw/zinc/52/47/28/1286524728.db2.gz MBUGZODWRCWYSN-UHFFFAOYSA-N -3 3 367.383 0.564 20 0 FCADHL Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001600691190 1286527434 /nfs/dbraw/zinc/52/74/34/1286527434.db2.gz DYGXNDTWYDMANS-UHFFFAOYSA-N -2 3 361.402 0.946 20 0 FCADHL Cc1ncc(S(=O)(=O)[N-]c2ccnn2CCN(C)C)cc1C(=O)[O-] ZINC001600747327 1286536507 /nfs/dbraw/zinc/53/65/07/1286536507.db2.gz LWDXYOXDHYTRFR-UHFFFAOYSA-N -2 3 353.404 0.647 20 0 FCADHL Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])C2)cn1 ZINC001600958881 1286580378 /nfs/dbraw/zinc/58/03/78/1286580378.db2.gz PCZCVAAJAOUNOY-MRVPVSSYSA-N -2 3 357.417 0.132 20 0 FCADHL CO[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609314168 1289084823 /nfs/dbraw/zinc/08/48/23/1289084823.db2.gz DECILFWYRGADPY-RYUDHWBXSA-N -2 3 365.415 0.877 20 0 FCADHL CO[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609314168 1289084829 /nfs/dbraw/zinc/08/48/29/1289084829.db2.gz DECILFWYRGADPY-RYUDHWBXSA-N -2 3 365.415 0.877 20 0 FCADHL Cn1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)c(Br)n1 ZINC001600968720 1286585166 /nfs/dbraw/zinc/58/51/66/1286585166.db2.gz VZTMEXCUAPPFOQ-UHFFFAOYSA-N -2 3 364.177 0.952 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c(Br)n1 ZINC001600968600 1286585415 /nfs/dbraw/zinc/58/54/15/1286585415.db2.gz UPCVHRXQDKYXDW-BUYFANAVSA-N -2 3 364.221 0.714 20 0 FCADHL COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609316638 1289087358 /nfs/dbraw/zinc/08/73/58/1289087358.db2.gz IHHOKDMGTUBMHF-GHMZBOCLSA-N -2 3 367.431 0.731 20 0 FCADHL COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609316638 1289087365 /nfs/dbraw/zinc/08/73/65/1289087365.db2.gz IHHOKDMGTUBMHF-GHMZBOCLSA-N -2 3 367.431 0.731 20 0 FCADHL COCC1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCC1 ZINC001609319433 1289090703 /nfs/dbraw/zinc/09/07/03/1289090703.db2.gz QBXTXVZNOXDRRK-UHFFFAOYSA-N -2 3 359.358 0.992 20 0 FCADHL O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CCOC1 ZINC001601710673 1286810740 /nfs/dbraw/zinc/81/07/40/1286810740.db2.gz CXXPVQUBPJWRSU-GFCCVEGCSA-N -2 3 361.763 0.646 20 0 FCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001609337376 1289106970 /nfs/dbraw/zinc/10/69/70/1289106970.db2.gz MXHCLDVDWNXAON-NSHDSACASA-N -2 3 363.374 0.870 20 0 FCADHL O=C([O-])CN1CCC(NS(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001602061636 1286914717 /nfs/dbraw/zinc/91/47/17/1286914717.db2.gz VQRSIFRLHRRZGI-UHFFFAOYSA-N -2 3 356.400 0.353 20 0 FCADHL O=C([O-])COC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001602077315 1286929700 /nfs/dbraw/zinc/92/97/00/1286929700.db2.gz WHZUNVOJFAZBLN-UHFFFAOYSA-N -2 3 358.191 0.417 20 0 FCADHL O=C([O-])Cc1ccccc1NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001602148666 1286947965 /nfs/dbraw/zinc/94/79/65/1286947965.db2.gz VHVZVJRYEPXBOZ-UHFFFAOYSA-N -2 3 371.275 0.706 20 0 FCADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)[C@H]2C[C@H]21 ZINC001602200462 1286967267 /nfs/dbraw/zinc/96/72/67/1286967267.db2.gz RXJGZNRQFFEYSP-AYHNYZOXSA-N -2 3 356.331 0.648 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H](CO)[C@H]2CCOC2)c1F ZINC001602225592 1286972090 /nfs/dbraw/zinc/97/20/90/1286972090.db2.gz DPGYXKOBSYZMQR-DTWKUNHWSA-N -2 3 365.354 0.586 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2N=NC(=O)N2C2CC2)c1F ZINC001602228102 1286972441 /nfs/dbraw/zinc/97/24/41/1286972441.db2.gz IUZNILQXPODBBV-UHFFFAOYSA-N -2 3 374.325 0.774 20 0 FCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2COCCN2)c1F ZINC001602266808 1286978777 /nfs/dbraw/zinc/97/87/77/1286978777.db2.gz NHQYFJBBHIFNRP-QMMMGPOBSA-N -2 3 352.771 0.444 20 0 FCADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CCN2CCC(O)CC2)c1F ZINC001602274109 1286979624 /nfs/dbraw/zinc/97/96/24/1286979624.db2.gz FNEANMDKUVBFKK-UHFFFAOYSA-N -2 3 364.370 0.398 20 0 FCADHL O=C([O-])c1ccc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)cc1F ZINC001602395410 1286994497 /nfs/dbraw/zinc/99/44/97/1286994497.db2.gz GGZBAOIDSTYTNR-UHFFFAOYSA-N -2 3 353.331 0.767 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001609361305 1289117979 /nfs/dbraw/zinc/11/79/79/1289117979.db2.gz SKDWLOHKVPIEGN-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001609361305 1289117984 /nfs/dbraw/zinc/11/79/84/1289117984.db2.gz SKDWLOHKVPIEGN-UHFFFAOYSA-N -2 3 360.355 0.389 20 0 FCADHL O=C([O-])c1cccc2c1CN(C(=O)Nc1n[n-]nc1C(=O)NC1CC1)CC2 ZINC001602458825 1287004353 /nfs/dbraw/zinc/00/43/53/1287004353.db2.gz BSQLOQWVCCDPCR-UHFFFAOYSA-N -2 3 370.369 0.985 20 0 FCADHL COc1ccccc1CO[N-]C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001609364079 1289118574 /nfs/dbraw/zinc/11/85/74/1289118574.db2.gz RCGOGQFTXJAHGL-UHFFFAOYSA-N -2 3 355.358 0.930 20 0 FCADHL COc1ccccc1CO[N-]C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001609364079 1289118580 /nfs/dbraw/zinc/11/85/80/1289118580.db2.gz RCGOGQFTXJAHGL-UHFFFAOYSA-N -2 3 355.358 0.930 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001602488531 1287010106 /nfs/dbraw/zinc/01/01/06/1287010106.db2.gz IUMLADUSKUFLJQ-PBINXNQUSA-N -2 3 363.413 0.612 20 0 FCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCS(=O)(=O)CC(F)(F)F ZINC001602488218 1287010513 /nfs/dbraw/zinc/01/05/13/1287010513.db2.gz LGLNPLUPCHVJMT-UHFFFAOYSA-N -2 3 365.307 0.233 20 0 FCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001602506673 1287017549 /nfs/dbraw/zinc/01/75/49/1287017549.db2.gz KNDAAWFCIWCYOB-LLVKDONJSA-N -2 3 368.346 0.331 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3CCO)c1 ZINC001602557218 1287025027 /nfs/dbraw/zinc/02/50/27/1287025027.db2.gz SREBQWMMRPQDEX-NSHDSACASA-N -2 3 355.372 0.523 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](C2CC2)C2(CO)CCOCC2)c1 ZINC001602557061 1287025304 /nfs/dbraw/zinc/02/53/04/1287025304.db2.gz PBQGHWGJCFCZRU-ZDUSSCGKSA-N -2 3 359.400 0.824 20 0 FCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccnc(N3CCOCC3)c2)c1 ZINC001602559233 1287025393 /nfs/dbraw/zinc/02/53/93/1287025393.db2.gz MZDHNWPYXKKWOH-UHFFFAOYSA-N -2 3 367.383 0.688 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1CCC2(CCOCC2)O1 ZINC001602583127 1287030886 /nfs/dbraw/zinc/03/08/86/1287030886.db2.gz PGVCJJQJFCBVKY-SECBINFHSA-N -2 3 362.429 0.848 20 0 FCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1Cc2ccccc2NC1=O ZINC001602583542 1287031233 /nfs/dbraw/zinc/03/12/33/1287031233.db2.gz VMZMJXWYXDRUPU-SECBINFHSA-N -2 3 353.381 0.683 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCN2CCSC[C@@H]12 ZINC001602589169 1287034109 /nfs/dbraw/zinc/03/41/09/1287034109.db2.gz XNKUSWUXBJGRLP-BDAKNGLRSA-N -2 3 363.486 0.699 20 0 FCADHL CSCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001609371316 1289125410 /nfs/dbraw/zinc/12/54/10/1289125410.db2.gz HSWVTUZUMONFPJ-UHFFFAOYSA-N -2 3 367.435 0.773 20 0 FCADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC001602649191 1287049449 /nfs/dbraw/zinc/04/94/49/1287049449.db2.gz RULHERXKOHJKLB-SECBINFHSA-N -2 3 350.755 0.926 20 0 FCADHL CSCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001609371316 1289125407 /nfs/dbraw/zinc/12/54/07/1289125407.db2.gz HSWVTUZUMONFPJ-UHFFFAOYSA-N -2 3 367.435 0.773 20 0 FCADHL CC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001603016143 1287185050 /nfs/dbraw/zinc/18/50/50/1287185050.db2.gz IELINPSILWYSKN-VIFPVBQESA-N -2 3 362.354 0.810 20 0 FCADHL CC[C@](C)(CCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1OCCO1 ZINC001604906470 1287813887 /nfs/dbraw/zinc/81/38/87/1287813887.db2.gz YXRWDFQLXCXOLQ-CQSZACIVSA-N -2 3 361.420 0.956 20 0 FCADHL CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001605029159 1287840007 /nfs/dbraw/zinc/84/00/07/1287840007.db2.gz IWHYSSUNURSGNK-DTWKUNHWSA-N -2 3 359.358 0.991 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@](C)(C(=O)[O-])C1 ZINC001605035630 1287845355 /nfs/dbraw/zinc/84/53/55/1287845355.db2.gz AQDJOSLSPBFODS-QMTHXVAHSA-N -2 3 367.387 0.119 20 0 FCADHL CO[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@](C)(C(=O)[O-])C1 ZINC001605035630 1287845360 /nfs/dbraw/zinc/84/53/60/1287845360.db2.gz AQDJOSLSPBFODS-QMTHXVAHSA-N -2 3 367.387 0.119 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001605432024 1287960079 /nfs/dbraw/zinc/96/00/79/1287960079.db2.gz WRQYSDLVQGNBBV-NXEZZACHSA-N -2 3 351.388 0.741 20 0 FCADHL C[C@@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001605432024 1287960084 /nfs/dbraw/zinc/96/00/84/1287960084.db2.gz WRQYSDLVQGNBBV-NXEZZACHSA-N -2 3 351.388 0.741 20 0 FCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC001605552331 1287998100 /nfs/dbraw/zinc/99/81/00/1287998100.db2.gz LLZHVLJIVXRYDG-UHFFFAOYSA-N -2 3 364.309 0.582 20 0 FCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC001605552331 1287998106 /nfs/dbraw/zinc/99/81/06/1287998106.db2.gz LLZHVLJIVXRYDG-UHFFFAOYSA-N -2 3 364.309 0.582 20 0 FCADHL Cc1cc([N-]S(=O)(=O)c2ccn(C)n2)c(-c2nn[n-]n2)cc1N(C)C ZINC001605739182 1288068915 /nfs/dbraw/zinc/06/89/15/1288068915.db2.gz PATUIJCKHNLFOY-UHFFFAOYSA-N -2 3 362.419 0.775 20 0 FCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001605801853 1288089390 /nfs/dbraw/zinc/08/93/90/1288089390.db2.gz YCWHTDRVIKRWNK-QMMMGPOBSA-N -2 3 361.330 0.562 20 0 FCADHL Cc1[nH]nc(NC(=O)c2nc[n-]c(=O)c2Br)c1-c1nnn[n-]1 ZINC001606014091 1288128937 /nfs/dbraw/zinc/12/89/37/1288128937.db2.gz PXWMAUJQAXDXTG-UHFFFAOYSA-N -2 3 366.139 0.409 20 0 FCADHL Cc1nc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ccc1-c1nnn[n-]1 ZINC001606024557 1288133243 /nfs/dbraw/zinc/13/32/43/1288133243.db2.gz OVZLOVHQASVJMW-VIFPVBQESA-N -2 3 355.362 0.414 20 0 FCADHL Cc1nc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ccc1-c1nn[n-]n1 ZINC001606024557 1288133249 /nfs/dbraw/zinc/13/32/49/1288133249.db2.gz OVZLOVHQASVJMW-VIFPVBQESA-N -2 3 355.362 0.414 20 0 FCADHL CN(CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001606133124 1288176246 /nfs/dbraw/zinc/17/62/46/1288176246.db2.gz QKRMYKNJCLRQRU-UHFFFAOYSA-N -2 3 356.379 0.657 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001609456242 1289160707 /nfs/dbraw/zinc/16/07/07/1289160707.db2.gz HPJBUHLMKRZZDZ-BXUZGUMPSA-N -2 3 366.403 0.492 20 0 FCADHL Cc1ncc(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001609456242 1289160710 /nfs/dbraw/zinc/16/07/10/1289160710.db2.gz HPJBUHLMKRZZDZ-BXUZGUMPSA-N -2 3 366.403 0.492 20 0 FCADHL Cc1nscc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606163926 1288195062 /nfs/dbraw/zinc/19/50/62/1288195062.db2.gz XHKNODCQFMYJLI-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL Cc1nscc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606163926 1288195063 /nfs/dbraw/zinc/19/50/63/1288195063.db2.gz XHKNODCQFMYJLI-UHFFFAOYSA-N -2 3 350.385 0.750 20 0 FCADHL CN1C(=O)[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)Cc2ccccc21 ZINC001606186102 1288203327 /nfs/dbraw/zinc/20/33/27/1288203327.db2.gz GXCVJIBAVXHVSG-LLVKDONJSA-N -2 3 350.352 0.844 20 0 FCADHL Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609462494 1289164112 /nfs/dbraw/zinc/16/41/12/1289164112.db2.gz DKCNJQUKVDRGPV-UHFFFAOYSA-N -2 3 362.371 0.519 20 0 FCADHL Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609462494 1289164118 /nfs/dbraw/zinc/16/41/18/1289164118.db2.gz DKCNJQUKVDRGPV-UHFFFAOYSA-N -2 3 362.371 0.519 20 0 FCADHL Cn1nc(C(=O)[O-])cc1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001606267074 1288243476 /nfs/dbraw/zinc/24/34/76/1288243476.db2.gz VHGIVWHXXSSRKQ-UHFFFAOYSA-N -2 3 368.401 0.621 20 0 FCADHL Cn1nc(C(=O)[O-])cc1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001606267074 1288243481 /nfs/dbraw/zinc/24/34/81/1288243481.db2.gz VHGIVWHXXSSRKQ-UHFFFAOYSA-N -2 3 368.401 0.621 20 0 FCADHL COC(=O)[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])CC1CCCC1 ZINC001606329728 1288262340 /nfs/dbraw/zinc/26/23/40/1288262340.db2.gz NAXOHANWBCPTNB-SNVBAGLBSA-N -2 3 359.404 0.756 20 0 FCADHL COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606514965 1288356602 /nfs/dbraw/zinc/35/66/02/1288356602.db2.gz CDKQTPQTBDFGLG-NSHDSACASA-N -2 3 367.383 0.479 20 0 FCADHL O=C(CCc1ncccn1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606535533 1288369118 /nfs/dbraw/zinc/36/91/18/1288369118.db2.gz USBOPENYWAETRU-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL O=C(CCc1ncccn1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606535533 1288369125 /nfs/dbraw/zinc/36/91/25/1288369125.db2.gz USBOPENYWAETRU-UHFFFAOYSA-N -2 3 359.371 0.094 20 0 FCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@]2(CC(=O)[O-])CCOC2)c1 ZINC001606593554 1288399470 /nfs/dbraw/zinc/39/94/70/1288399470.db2.gz WEYAYHWJVRPSQK-AWEZNQCLSA-N -2 3 361.347 0.524 20 0 FCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCCOC1 ZINC001606636985 1288418981 /nfs/dbraw/zinc/41/89/81/1288418981.db2.gz PCAIZKLCLVMPIS-GFCCVEGCSA-N -2 3 364.401 0.232 20 0 FCADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])c[nH]c1=O)C1CCOCC1 ZINC001606682358 1288439060 /nfs/dbraw/zinc/43/90/60/1288439060.db2.gz BCMHLAWCMYIRPL-GFCCVEGCSA-N -2 3 360.388 0.669 20 0 FCADHL CO[C@@H]1CCC[C@H]([C@H](CO)[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001606737822 1288477601 /nfs/dbraw/zinc/47/76/01/1288477601.db2.gz LUFDCKHROYRIGT-AXFHLTTASA-N -2 3 361.420 0.261 20 0 FCADHL O=C(NCc1nc(=O)o[n-]1)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001606847198 1288539392 /nfs/dbraw/zinc/53/93/92/1288539392.db2.gz OLFLPFBSSRTRQB-UHFFFAOYSA-N -2 3 355.358 0.671 20 0 FCADHL O=C(NCc1nc(=O)o[n-]1)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001606847198 1288539399 /nfs/dbraw/zinc/53/93/99/1288539399.db2.gz OLFLPFBSSRTRQB-UHFFFAOYSA-N -2 3 355.358 0.671 20 0 FCADHL O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606961147 1288576686 /nfs/dbraw/zinc/57/66/86/1288576686.db2.gz XFPLZANHVAXJMV-LBPRGKRZSA-N -2 3 363.355 0.434 20 0 FCADHL O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606961147 1288576688 /nfs/dbraw/zinc/57/66/88/1288576688.db2.gz XFPLZANHVAXJMV-LBPRGKRZSA-N -2 3 363.355 0.434 20 0 FCADHL O=C([O-])[C@]12CC[C@H]1CN(S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C2 ZINC001606962223 1288577777 /nfs/dbraw/zinc/57/77/77/1288577777.db2.gz KUQBXAQLMLGVEF-NHYWBVRUSA-N -2 3 363.399 0.493 20 0 FCADHL O=C([O-])[C@]12CC[C@H]1CN(S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C2 ZINC001606962223 1288577781 /nfs/dbraw/zinc/57/77/81/1288577781.db2.gz KUQBXAQLMLGVEF-NHYWBVRUSA-N -2 3 363.399 0.493 20 0 FCADHL O=C(c1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001607003026 1288585872 /nfs/dbraw/zinc/58/58/72/1288585872.db2.gz GNABRTDNEZMJSO-VIFPVBQESA-N -2 3 358.337 0.849 20 0 FCADHL O=C(c1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001607003026 1288585877 /nfs/dbraw/zinc/58/58/77/1288585877.db2.gz GNABRTDNEZMJSO-VIFPVBQESA-N -2 3 358.337 0.849 20 0 FCADHL O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)[N-][C@@H](CCO)C(F)(F)F ZINC001607063101 1288636195 /nfs/dbraw/zinc/63/61/95/1288636195.db2.gz UAHVQPIISGADJD-JTQLQIEISA-N -2 3 365.337 0.599 20 0 FCADHL O=c1cc(CN2CCO[C@H](c3ccco3)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607110858 1288667566 /nfs/dbraw/zinc/66/75/66/1288667566.db2.gz LGWQUXAKEPKPMQ-ZDUSSCGKSA-N -2 3 368.357 0.782 20 0 FCADHL COc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)ccc1OCCO ZINC001607164405 1288675877 /nfs/dbraw/zinc/67/58/77/1288675877.db2.gz RGUHKIPNRODSGS-UHFFFAOYSA-N -2 3 372.355 0.231 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2CN(C(=O)OC(C)(C)C)C2)c1C(=O)[O-] ZINC001607940169 1288750025 /nfs/dbraw/zinc/75/00/25/1288750025.db2.gz MNQYBHAJJIRXTR-UHFFFAOYSA-N -2 3 360.392 0.314 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@H]2C)c1C(=O)[O-] ZINC001607939325 1288750114 /nfs/dbraw/zinc/75/01/14/1288750114.db2.gz BNTJDUDDILTERN-SCZZXKLOSA-N -2 3 358.420 0.484 20 0 FCADHL Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)c(Br)n1 ZINC001608121595 1288773380 /nfs/dbraw/zinc/77/33/80/1288773380.db2.gz ORCHVCLDRQOPPA-SSDOTTSWSA-N -2 3 354.226 0.960 20 0 FCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001608266717 1288810469 /nfs/dbraw/zinc/81/04/69/1288810469.db2.gz DXPQZURBTGSDIA-UHNVWZDZSA-N -2 3 350.253 0.195 20 0 FCADHL O=C([O-])CC1(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCS(=O)(=O)CC1 ZINC001608685427 1288864118 /nfs/dbraw/zinc/86/41/18/1288864118.db2.gz RIOHFWUHZNRWEK-UHFFFAOYSA-N -2 3 369.399 0.212 20 0 FCADHL O=C([O-])C[C@]1([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCOC1 ZINC001608688946 1288864738 /nfs/dbraw/zinc/86/47/38/1288864738.db2.gz ARDHRJXELFXKKI-CYBMUJFWSA-N -2 3 360.319 0.172 20 0 FCADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CCOC1 ZINC001608688975 1288865024 /nfs/dbraw/zinc/86/50/24/1288865024.db2.gz CEOLPPISDQECGH-LBPRGKRZSA-N -2 3 361.763 0.788 20 0 FCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609107491 1288922151 /nfs/dbraw/zinc/92/21/51/1288922151.db2.gz DBQWFPBKCOLLSS-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609107491 1288922154 /nfs/dbraw/zinc/92/21/54/1288922154.db2.gz DBQWFPBKCOLLSS-UHFFFAOYSA-N -2 3 361.387 0.763 20 0 FCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]OC1CCC1 ZINC001609125871 1288933572 /nfs/dbraw/zinc/93/35/72/1288933572.db2.gz UOPRUMIWLOHCNL-VIFPVBQESA-N -2 3 366.403 0.134 20 0 FCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]OC1CCC1 ZINC001609125871 1288933579 /nfs/dbraw/zinc/93/35/79/1288933579.db2.gz UOPRUMIWLOHCNL-VIFPVBQESA-N -2 3 366.403 0.134 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCCO1 ZINC001609142668 1288945682 /nfs/dbraw/zinc/94/56/82/1288945682.db2.gz HVTHXYNULHMJPJ-CQSZACIVSA-N -2 3 351.388 0.631 20 0 FCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCCO1 ZINC001609142668 1288945685 /nfs/dbraw/zinc/94/56/85/1288945685.db2.gz HVTHXYNULHMJPJ-CQSZACIVSA-N -2 3 351.388 0.631 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@H]1C(=O)[O-] ZINC001609146115 1288948933 /nfs/dbraw/zinc/94/89/33/1288948933.db2.gz RKLDXLCZQDHELS-NSHDSACASA-N -2 3 351.388 0.741 20 0 FCADHL CC1(C)CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@H]1C(=O)[O-] ZINC001609146115 1288948940 /nfs/dbraw/zinc/94/89/40/1288948940.db2.gz RKLDXLCZQDHELS-NSHDSACASA-N -2 3 351.388 0.741 20 0 FCADHL C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@H]1C(=O)[O-] ZINC001609166221 1288959246 /nfs/dbraw/zinc/95/92/46/1288959246.db2.gz LIJSRDWKRDKRBQ-QPUJVOFHSA-N -2 3 369.378 0.880 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C(=O)[O-])C1 ZINC001609168752 1288962374 /nfs/dbraw/zinc/96/23/74/1288962374.db2.gz LLDLYFACVIXEKZ-ZWNOBZJWSA-N -2 3 365.415 0.882 20 0 FCADHL C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H](C(=O)[O-])C1 ZINC001609168752 1288962376 /nfs/dbraw/zinc/96/23/76/1288962376.db2.gz LLDLYFACVIXEKZ-ZWNOBZJWSA-N -2 3 365.415 0.882 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609520544 1289191710 /nfs/dbraw/zinc/19/17/10/1289191710.db2.gz ZCPCURMLZVAEHX-JTQLQIEISA-N -2 3 352.376 0.026 20 0 FCADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609520544 1289191717 /nfs/dbraw/zinc/19/17/17/1289191717.db2.gz ZCPCURMLZVAEHX-JTQLQIEISA-N -2 3 352.376 0.026 20 0 FCADHL O=C(CCOCC(F)F)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609524532 1289194048 /nfs/dbraw/zinc/19/40/48/1289194048.db2.gz YGQKCCAWDNYJOW-UHFFFAOYSA-N -2 3 361.330 0.343 20 0 FCADHL O=C(CCOCC(F)F)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609524532 1289194051 /nfs/dbraw/zinc/19/40/51/1289194051.db2.gz YGQKCCAWDNYJOW-UHFFFAOYSA-N -2 3 361.330 0.343 20 0 FCADHL O=C(Cn1cc(Cl)cn1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609537643 1289204021 /nfs/dbraw/zinc/20/40/21/1289204021.db2.gz HMQAAUYEDIUEFU-UHFFFAOYSA-N -2 3 367.778 0.222 20 0 FCADHL O=C(Cn1cc(Cl)cn1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609537643 1289204027 /nfs/dbraw/zinc/20/40/27/1289204027.db2.gz HMQAAUYEDIUEFU-UHFFFAOYSA-N -2 3 367.778 0.222 20 0 FCADHL O=C([N-]CC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001609546134 1289210779 /nfs/dbraw/zinc/21/07/79/1289210779.db2.gz BGMLSRJKKXQGMR-UHFFFAOYSA-N -2 3 356.312 0.552 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1SCCCS1 ZINC001609560527 1289225375 /nfs/dbraw/zinc/22/53/75/1289225375.db2.gz SPOBZYHPRKQCTI-UHFFFAOYSA-N -2 3 371.469 0.868 20 0 FCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1SCCCS1 ZINC001609560527 1289225383 /nfs/dbraw/zinc/22/53/83/1289225383.db2.gz SPOBZYHPRKQCTI-UHFFFAOYSA-N -2 3 371.469 0.868 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@@H]1C[C@H]1C(F)(F)F ZINC001609560379 1289225616 /nfs/dbraw/zinc/22/56/16/1289225616.db2.gz LFVHJJFHZKAGLX-HTQZYQBOSA-N -2 3 361.305 0.870 20 0 FCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@@H]1C[C@H]1C(F)(F)F ZINC001609560379 1289225623 /nfs/dbraw/zinc/22/56/23/1289225623.db2.gz LFVHJJFHZKAGLX-HTQZYQBOSA-N -2 3 361.305 0.870 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cscc1-c1nnn[n-]1 ZINC001609564085 1289228537 /nfs/dbraw/zinc/22/85/37/1289228537.db2.gz DRMGSUBJVMHOGE-UHFFFAOYSA-N -2 3 355.343 0.862 20 0 FCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cscc1-c1nn[n-]n1 ZINC001609564085 1289228541 /nfs/dbraw/zinc/22/85/41/1289228541.db2.gz DRMGSUBJVMHOGE-UHFFFAOYSA-N -2 3 355.343 0.862 20 0 FCADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609572480 1289234452 /nfs/dbraw/zinc/23/44/52/1289234452.db2.gz ZOPQSNCWNBFTJK-UHFFFAOYSA-N -3 3 364.318 0.900 20 0 FCADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609572480 1289234460 /nfs/dbraw/zinc/23/44/60/1289234460.db2.gz ZOPQSNCWNBFTJK-UHFFFAOYSA-N -3 3 364.318 0.900 20 0 FCADHL O=C([O-])[C@H](CC(F)(F)F)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609571836 1289235113 /nfs/dbraw/zinc/23/51/13/1289235113.db2.gz UHNRZCPKNNDHDW-QMMMGPOBSA-N -2 3 365.293 0.551 20 0 FCADHL O=C1OCc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609590878 1289248437 /nfs/dbraw/zinc/24/84/37/1289248437.db2.gz VCUQLNULXRMVDY-UHFFFAOYSA-N -2 3 358.339 0.733 20 0 FCADHL O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609596378 1289254001 /nfs/dbraw/zinc/25/40/01/1289254001.db2.gz DURXSMGKDVWBTJ-UHFFFAOYSA-N -2 3 361.322 0.244 20 0 FCADHL O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609596378 1289254005 /nfs/dbraw/zinc/25/40/05/1289254005.db2.gz DURXSMGKDVWBTJ-UHFFFAOYSA-N -2 3 361.322 0.244 20 0 FCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)C(=O)[O-])ccc1F ZINC001609658229 1289275159 /nfs/dbraw/zinc/27/51/59/1289275159.db2.gz GRVVUVQFGUCHEU-SNVBAGLBSA-N -2 3 362.379 0.078 20 0 FCADHL C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609796790 1289300681 /nfs/dbraw/zinc/30/06/81/1289300681.db2.gz NIYKEKWXCDWAGB-MRVPVSSYSA-N -2 3 364.333 0.966 20 0 FCADHL C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609796790 1289300689 /nfs/dbraw/zinc/30/06/89/1289300689.db2.gz NIYKEKWXCDWAGB-MRVPVSSYSA-N -2 3 364.333 0.966 20 0 FCADHL CN(C)c1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[n-]c2=O)cc1 ZINC001610105865 1289374761 /nfs/dbraw/zinc/37/47/61/1289374761.db2.gz ZNGHFBVREDJWEX-SNVBAGLBSA-N -3 3 366.374 0.372 20 0 FCADHL CN1C(=O)CN([N-]C(=O)C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1=O ZINC001610128440 1289383637 /nfs/dbraw/zinc/38/36/37/1289383637.db2.gz WQIXLRMZOLFWOZ-UHFFFAOYSA-N -2 3 372.696 0.041 20 0 FCADHL COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001610355895 1289469214 /nfs/dbraw/zinc/46/92/14/1289469214.db2.gz XPPOYXJRNNCWNP-JTQLQIEISA-N -2 3 358.397 0.862 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CO)Cc2ccc(C)cc2)c1C(=O)[O-] ZINC001610498968 1289496534 /nfs/dbraw/zinc/49/65/34/1289496534.db2.gz BGQLYZBECRSYLW-LBPRGKRZSA-N -2 3 353.400 0.607 20 0 FCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1C(=O)[O-] ZINC001610550031 1289506665 /nfs/dbraw/zinc/50/66/65/1289506665.db2.gz UXEBPELCOTXLKO-AOOOYVTPSA-N -2 3 374.463 0.582 20 0 FCADHL Cc1oc(S(=O)(=O)[N-]CC2(OCCO)CCOCC2)cc1C(=O)[O-] ZINC001610586964 1289517916 /nfs/dbraw/zinc/51/79/16/1289517916.db2.gz ROKIUUXRSPENSZ-UHFFFAOYSA-N -2 3 363.388 0.123 20 0 FCADHL O=C([O-])[C@@H](CO)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001610652532 1289542916 /nfs/dbraw/zinc/54/29/16/1289542916.db2.gz WOMVJGKIRRNPKM-JKSUJKDBSA-N -2 3 372.377 0.815 20 0 FCADHL O=C([O-])c1ccsc1NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001610698932 1289560341 /nfs/dbraw/zinc/56/03/41/1289560341.db2.gz VYWNLPRTKGISOH-UHFFFAOYSA-N -2 3 363.277 0.838 20 0 FCADHL O=C([O-])Cc1ccc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001610791264 1289594422 /nfs/dbraw/zinc/59/44/22/1289594422.db2.gz CHGWPBYJDCVFCQ-UHFFFAOYSA-N -2 3 371.275 0.706 20 0 FCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@]2(O)CCSC2)c1F ZINC001610806465 1289600057 /nfs/dbraw/zinc/60/00/57/1289600057.db2.gz RIXUMCNBQWJPNH-LBPRGKRZSA-N -2 3 353.368 0.809 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCOCC1 ZINC001610873565 1289615230 /nfs/dbraw/zinc/61/52/30/1289615230.db2.gz XXLSBOLEBQWUEL-JTQLQIEISA-N -2 3 364.445 0.545 20 0 FCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1COc2ccccc2[C@@H]1O ZINC001610873234 1289615870 /nfs/dbraw/zinc/61/58/70/1289615870.db2.gz QYCWUBMEABADMS-PELKAZGASA-N -2 3 356.381 0.614 20 0 FCADHL CSCC[C@H](NC(=O)c1c(C)[n-]c(=O)nc1SC)c1nnn[n-]1 ZINC001646037160 1291055274 /nfs/dbraw/zinc/05/52/74/1291055274.db2.gz NIOXTZRNWYBPPX-ZETCQYMHSA-N -2 3 355.449 0.950 20 0 FCADHL CSCC[C@H](NC(=O)c1c(C)[n-]c(=O)nc1SC)c1nn[n-]n1 ZINC001646037160 1291055282 /nfs/dbraw/zinc/05/52/82/1291055282.db2.gz NIOXTZRNWYBPPX-ZETCQYMHSA-N -2 3 355.449 0.950 20 0 FCADHL